| 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 | L | 36.4 | Very low | 44.2 | Very low | 225 Ų | 225 | 153 Ų | 153 | 100% | 1.178 | 83% | 0.832 | S | S | * | * | 0 | 122.2 | 0 | -154.3 | 68.4 | 0 | 0 | 0 | 106.8 | |||||
| 2 | L | 42.9 | Very low | 44.1 | Very low | 155 Ų | 155 | 156.1 Ų | 156.1 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | trans | -14.1 | 170.7 | 166.6 | -71.6 | 159 | 0 | 0 | 0 | 118.8 | ||||
| 3 | P | 54.6 | Low | 44 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 72% | 0.721 | 83% | 0.831 | S | S | * | * | cis | -143.4 | -177.1 | -49 | 39.7 | -21 | 0 | 0 | 0 | 111.8 | ||||
| 4 | G | 44.5 | Very low | 44.2 | Very low | 64 Ų | 64 | 157.5 Ų | 157.5 | 66% | 0.66 | 83% | 0.833 | S | S | * | * | trans | -74.5 | 171.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 5 | R | 42.8 | Very low | 44.3 | Very low | 225 Ų | 225 | 156.1 Ų | 156.1 | 85% | 0.849 | 83% | 0.825 | S | S | * | * | trans | 178.3 | 135 | 139.9 | -106.4 | -173.9 | 176 | 178 | 0.6 | 112.8 | ||||
| 6 | Q | 42.4 | Very low | 44.5 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | 82.5 | 111.3 | 138.4 | -64.6 | -165 | 101.6 | 0 | 0 | 121 | ||||
| 7 | R | 49.7 | Very low | 45 | Very low | 249 Ų | 249 | 154.1 Ų | 154.1 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | trans | -56.2 | 126.3 | 146.5 | -56.7 | 175.5 | -153.3 | -158.7 | 3.2 | 108.3 | ||||
| 8 | S | 41.3 | Very low | 44.7 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -110.1 | 118.7 | 161.1 | 58.9 | 0 | 0 | 0 | 0 | 108.3 | G10 | S8-G10 PolarHBondContact O-N 3.15Š| ||
| 9 | L | 49.8 | Very low | 44.7 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -60.4 | 113 | 163.1 | -72.3 | 156.8 | 0 | 0 | 0 | 107.6 | ||||
| 10 | G | 36.9 | Very low | 45.1 | Very low | 69 Ų | 69 | 152.8 Ų | 152.8 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -98.5 | 111.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | S8 E12 | S8-G10 PolarHBondContact O-N 3.15Å; G10-E12 PolarHBondContact O-N 3.44Å | ||
| 11 | V | 45.1 | Very low | 45.1 | Very low | 137 Ų | 137 | 153 Ų | 153 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -60.7 | 114.4 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 12 | E | 43.4 | Very low | 45.5 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -84.5 | 130.3 | 165.9 | -84.1 | -146.8 | 137.3 | 0 | 0 | 109.8 | G10 | G10-E12 PolarHBondContact O-N 3.44Š| ||
| 13 | E | 42.4 | Very low | 45.4 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -61.7 | 133.3 | -171.2 | -64 | -178 | 135.5 | 0 | 0 | 112.6 | L15 | E13-L15 PolarHBondContact O-N 2.97Š| ||
| 14 | I | 46.5 | Very low | 45.2 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -80 | 102.1 | 158.3 | -62.3 | 171.8 | 0 | 0 | 0 | 106 | ||||
| 15 | L | 46.3 | Very low | 45.6 | Very low | 136 Ų | 136 | 159.4 Ų | 159.4 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | trans | -74.1 | 138.4 | 168.6 | -70.1 | 176.5 | 0 | 0 | 0 | 110.1 | E13 | E13-L15 PolarHBondContact O-N 2.97Š| ||
| 16 | P | 46.7 | Very low | 45.9 | Very low | 102 Ų | 102 | 155.4 Ų | 155.4 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | trans | -73.3 | 146.8 | -171.4 | 29.4 | -33.2 | 0 | 0 | 0 | 112.4 | D18 | P16-D18 PolarHBondContact O-N 3.1Š| ||
| 17 | M | 52.9 | Low | 46 | Very low | 177 Ų | 177 | 157 Ų | 157 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -50 | 101.6 | 164.2 | -90.6 | -88.2 | -154.6 | 0 | 0 | 111 | F19 | M17-F19 PolarHBondContact O-N 2.81Å; M17-F19 VanDerWaalsContact O-N 3.14Å | ||
| 18 | D | 40.6 | Very low | 45.4 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -78.2 | 92.4 | 161.8 | -89.4 | -32.6 | 0 | 0 | 0 | 108.8 | P16 | P16-D18 PolarHBondContact O-N 3.1Š| ||
| 19 | F | 43.6 | Very low | 45.3 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -77.4 | 128.2 | 167 | -157.8 | -96.2 | 0 | 0 | 0 | 108.4 | M17 | M17-F19 PolarHBondContact O-N 2.81Å; M17-F19 VanDerWaalsContact O-N 3.14Å | ||
| 20 | A | 52.6 | Low | 44.9 | Very low | 79 Ų | 79 | 150.3 Ų | 150.3 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | trans | 71.5 | 93.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 21 | N | 46.3 | Very low | 45 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -159.1 | 48.3 | 144.7 | -108.5 | -30.5 | 0 | 0 | 0 | 114.3 | ||||
| 22 | D | 44.9 | Very low | 45.1 | Very low | 168 Ų | 168 | 157.4 Ų | 157.4 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -116.5 | 65.4 | 159.8 | -82.2 | -33.2 | 0 | 0 | 0 | 109.1 | D24 | D22-D24 VanDerWaalsContact C-N 3.32Å; D22-D24 PolarHBondContact O-N 3.04Å | ||
| 23 | F | 39.9 | Very low | 44.6 | Very low | 193 Ų | 193 | 154.9 Ų | 154.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -79.4 | 92.8 | 156.6 | -111.2 | -88.3 | 0 | 0 | 0 | 106.6 | F25 | F23-F25 PolarHBondContact O-N 2.77Š| ||
| 24 | D | 49.6 | Very low | 44.1 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | trans | -46.8 | 114 | 170.5 | -109.7 | -37.4 | 0 | 0 | 0 | 110 | D22 M26 | D22-D24 VanDerWaalsContact C-N 3.32Å; D22-D24 PolarHBondContact O-N 3.04Å; D24-M26 HydrophobicContact CB-CE 4.19Å; D24-M26 PolarHBondContact O-N 2.97Å; D24-M26 WeakPolarHBondContact OD2-CE 3Å | ||
| 25 | F | 53.5 | Low | 43.5 | Very low | 203 Ų | 203 | 153.6 Ų | 153.6 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 63.2 | 165.4 | -85.5 | -86.2 | 0 | 0 | 0 | 109.7 | F23 K27 | F23-F25 PolarHBondContact O-N 2.77Å; F25-K27 VanDerWaalsContact C-N 3.29Å; F25-K27 PolarHBondContact O-N 2.99Å | ||
| 26 | M | 49 | Very low | 43 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | -94.9 | 69.9 | 158.3 | -80.8 | -175.7 | -99.4 | 0 | 0 | 108.4 | D24 F28 | D24-M26 HydrophobicContact CB-CE 4.19Å; D24-M26 PolarHBondContact O-N 2.97Å; D24-M26 WeakPolarHBondContact OD2-CE 3Å; M26-F28 PolarHBondContact O-N 2.99Å | ||
| 27 | K | 44.6 | Very low | 42.1 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -63.2 | 106.6 | 170.4 | -174.7 | -178.5 | 178.7 | -165.7 | 0 | 108.1 | F25 G29 | F25-K27 VanDerWaalsContact C-N 3.29Å; F25-K27 PolarHBondContact O-N 2.99Å; K27-G29 PolarHBondContact O-N 2.8Å | ||
| 28 | F | 37.3 | Very low | 41.2 | Very low | 190 Ų | 190 | 155 Ų | 155 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -43 | 113.7 | 166.9 | -76.8 | -94.5 | 0 | 0 | 0 | 110.4 | M26 V30 | M26-F28 PolarHBondContact O-N 2.99Å; F28-V30 PolarHBondContact O-N 3.21Å | ||
| 29 | G | 38.4 | Very low | 40.8 | Very low | 78 Ų | 78 | 153.6 Ų | 153.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -70.8 | 84 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | K27 K31 | K27-G29 PolarHBondContact O-N 2.8Å; G29-K31 VanDerWaalsContact C-N 3.27Å; G29-K31 PolarHBondContact O-N 3.22Å | ||
| 30 | V | 41.5 | Very low | 40.3 | Very low | 128 Ų | 128 | 155.1 Ų | 155.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -67.6 | 96 | 163.1 | -178.4 | 0 | 0 | 0 | 0 | 106.2 | F28 K32 | F28-V30 PolarHBondContact O-N 3.21Å; V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 PolarHBondContact O-N 3.39Å | ||
| 31 | K | 39.8 | Very low | 39.4 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 70% | 0.704 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 96.5 | 171.4 | -161 | -176.4 | -178.5 | -153.8 | 0 | 107 | G29 E33 | G29-K31 VanDerWaalsContact C-N 3.27Å; G29-K31 PolarHBondContact O-N 3.22Å; K31-E33 VanDerWaalsContact C-N 3.3Å; K31-E33 HydrophobicContact CD-CG 4.21Å; K31-E33 WeakPolarHBondContact CE-OE1 3.24Å; K31-E33 HydrophobicContact CG-CG 4.14Å; K31-E33 IonicContact NZ-OE1 3.29Å; K31-E33 PolarHBondContact NZ-OE1 3.03Å; K31-E33 PolarHBondContact O-N 2.66Å | ||
| 32 | K | 47.3 | Very low | 38.6 | Very low | 192 Ų | 192 | 159.3 Ų | 159.3 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -68 | 90.8 | 168.5 | -174.6 | -179.6 | -178.9 | 179.9 | 0 | 107.1 | V30 T34 | V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 PolarHBondContact O-N 3.39Å; K32-T34 PolarHBondContact O-N 3.15Å | ||
| 33 | E | 32 | Very low | 38.3 | Very low | 138 Ų | 138 | 159.5 Ų | 159.5 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | trans | -77.6 | 116.4 | 168.4 | -64 | -158.1 | 159.6 | 0 | 0 | 108.4 | K31 M35 | K31-E33 VanDerWaalsContact C-N 3.3Å; K31-E33 HydrophobicContact CD-CG 4.21Å; K31-E33 WeakPolarHBondContact CE-OE1 3.24Å; K31-E33 HydrophobicContact CG-CG 4.14Å; K31-E33 IonicContact NZ-OE1 3.29Å; K31-E33 PolarHBondContact NZ-OE1 3.03Å; K31-E33 PolarHBondContact O-N 2.66Å; E33-M35 PolarHBondContact O-N 3.32Å; E33-M35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | T | 32.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 153.2 Ų | 153.2 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -62.3 | 109.7 | 173.9 | -33 | 0 | 0 | 0 | 0 | 107.7 | K32 Q36 | K32-T34 PolarHBondContact O-N 3.15Å; T34-Q36 PolarHBondContact O-N 2.74Å | ||
| 35 | M | 33.8 | Very low | 37.8 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -59.9 | 106.6 | 164.9 | -72.9 | -136 | 80 | 0 | 0 | 107.8 | E33 S37 | E33-M35 PolarHBondContact O-N 3.32Å; E33-M35 VanDerWaalsContact O-N 3.15Å; M35-S37 VanDerWaalsContact C-N 3.35Å; M35-S37 PolarHBondContact O-N 3.39Å | ||
| 36 | Q | 34.9 | Very low | 36.7 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -70.3 | 101 | 162.8 | -78.9 | 179.8 | 6.9 | 0 | 0 | 106.9 | T34 L38 | T34-Q36 PolarHBondContact O-N 2.74Å; Q36-L38 PolarHBondContact O-N 3.32Å; Q36-L38 VanDerWaalsContact O-N 3.11Å | ||
| 37 | S | 29.6 | Very low | 36 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -48.7 | 108.7 | 156.7 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | M35 | M35-S37 VanDerWaalsContact C-N 3.35Å; M35-S37 PolarHBondContact O-N 3.39Å | ||
| 38 | L | 33.8 | Very low | 35.4 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -117.9 | 76.3 | 163.8 | -137.9 | 101.3 | 0 | 0 | 0 | 106.9 | Q36 | Q36-L38 PolarHBondContact O-N 3.32Å; Q36-L38 VanDerWaalsContact O-N 3.11Å | ||
| 39 | D | 31.7 | Very low | 35.3 | Very low | 134 Ų | 134 | 146 Ų | 146 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | -101.2 | 134.3 | 172.6 | -136.7 | -34.9 | 0 | 0 | 0 | 109.3 | ||||
| 40 | R | 32.8 | Very low | 35 | Very low | 225 Ų | 225 | 151.4 Ų | 151.4 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | 56.7 | 110.5 | 168.9 | -78.5 | 173.4 | 174.5 | -116.3 | -5.6 | 118.8 | ||||
| 41 | S | 34 | Very low | 34.7 | Very low | 112 Ų | 112 | 156.2 Ų | 156.2 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | 169 | 103.3 | 104.5 | -71.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 42 | F | 29.7 | Very low | 35 | Very low | 213 Ų | 213 | 153.4 Ų | 153.4 | 93% | 0.934 | 81% | 0.812 | S | S | * | * | trans | -166.1 | 97.3 | 140.2 | -127 | -93.1 | 0 | 0 | 0 | 109 | ||||
| 43 | I | 39.2 | Very low | 34.1 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -89.3 | 127 | 168 | -68.3 | 166.2 | 0 | 0 | 0 | 106.5 | ||||
| 44 | G | 31.5 | Very low | 34.3 | Very low | 62 Ų | 62 | 149.5 Ų | 149.5 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | trans | -149.9 | 139 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 45 | P | 46.6 | Very low | 34.5 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -92.2 | 162.1 | -146.5 | 35.7 | -35.6 | 0 | 0 | 0 | 116 | ||||
| 46 | C | 30.4 | Very low | 34.4 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -56.8 | 143.9 | 169.3 | -179.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 47 | G | 34 | Very low | 34.5 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 133.1 | 105.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 48 | Q | 31.3 | Very low | 34.9 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | trans | -164.4 | 123.6 | 131.5 | -116.3 | -169.3 | 7.5 | 0 | 0 | 112.7 | ||||
| 49 | L | 36.1 | Very low | 35.9 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -63.1 | 143.8 | 171.3 | -99.6 | 69.8 | 0 | 0 | 0 | 112.3 | ||||
| 50 | Q | 31.5 | Very low | 36.1 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | -171.7 | 122.8 | 111.2 | -115 | 170 | -15.4 | 0 | 0 | 112.8 | |||||
| 51 | R | 36.3 | Very low | 36.1 | Very low | 229 Ų | 229 | 134.6 Ų | 134.6 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -83.6 | 151.6 | 159.3 | -146.2 | -168.4 | -112.3 | 141.1 | -3.7 | 107.6 | ||||
| 52 | P | 44.9 | Very low | 36.4 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | -144.5 | 179.4 | 85 | 12.2 | 14.8 | 0 | 0 | 0 | 111.5 | |||||
| 53 | D | 29.9 | Very low | 37 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | cis | -162.2 | 172.4 | -0.6 | -103.3 | -33.9 | 0 | 0 | 0 | 108.6 | ||||
| 54 | S | 36.1 | Very low | 36.8 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -92.6 | 178 | -160 | -54.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 55 | V | 37 | Very low | 37.2 | Very low | 145 Ų | 145 | 132 Ų | 132 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 83.2 | 143.8 | 156 | -42.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 56 | S | 31.9 | Very low | 36.7 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | cis | -167.2 | 146 | 1.1 | 153 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 57 | S | 36.3 | Very low | 37.5 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | 41.1 | 113.2 | 138.8 | -41.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 58 | T | 37 | Very low | 37.9 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | 35.5 | 166.9 | 126.8 | 45.9 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 59 | P | 56.7 | Low | 38.2 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -139.6 | 174.1 | -38.3 | 38.3 | -20.1 | 0 | 0 | 0 | 114.3 | ||||
| 60 | G | 34.4 | Very low | 38.2 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 95.6 | 118.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 61 | S | 33.5 | Very low | 38.9 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 158.3 | 116.8 | 134.2 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 62 | T | 39.7 | Very low | 38.9 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -62.3 | 167.4 | 164.7 | -15.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 63 | P | 43.3 | Very low | 38.6 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | -150.9 | -175.3 | 19.6 | 44.9 | -22.6 | 0 | 0 | 0 | 118.1 | ||||
| 64 | C | 34.2 | Very low | 38.9 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | 76.8 | 123.5 | 148.2 | -64.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 65 | N | 39.8 | Very low | 39.2 | Very low | 155 Ų | 155 | 123 Ų | 123 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | 44 | 108 | 141.9 | -74.1 | -35.4 | 0 | 0 | 0 | 119.1 | ||||
| 66 | S | 37.1 | Very low | 39.2 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -145.4 | 116.3 | 149.4 | -67.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | V | 46.3 | Very low | 39.4 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 137.8 | 172 | -163.6 | 0 | 0 | 0 | 0 | 110.1 | S69 | V67-S69 PolarHBondContact O-N 3.42Š|
| 68 | P | 43 | Very low | 39.5 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 118.7 | 170.3 | 27.5 | -30.5 | 0 | 0 | 0 | 109.1 | S70 | P68-S70 PolarHBondContact O-N 3.26Š|
| 69 | S | 37.4 | Very low | 39.4 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 126 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | V67 | V67-S69 PolarHBondContact O-N 3.42Š|
| 70 | S | 36.3 | Very low | 38.5 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 144.9 | 167.2 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | P68 N72 | P68-S70 PolarHBondContact O-N 3.26Å; S70-N72 PolarHBondContact O-N 3.48Å |
| 71 | P | 46 | Very low | 38.5 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75 | 125.8 | -178.9 | 29.1 | -30.3 | 0 | 0 | 0 | 110.7 | ||
| 72 | N | 36.3 | Very low | 39.1 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.4 | 167 | -107 | -55.4 | 0 | 0 | 0 | 109.4 | S70 | S70-N72 PolarHBondContact O-N 3.48Š|
| 73 | V | 38.3 | Very low | 39.4 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -109.6 | 107 | 172.9 | -143.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 74 | N | 37.3 | Very low | 39.3 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -89.9 | 132.3 | 168.5 | -109.1 | -22.3 | 0 | 0 | 0 | 109.1 | N76 | N74-N76 PolarHBondContact O-N 3.01Š| ||
| 75 | P | 41.9 | Very low | 39.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -96.2 | 86.1 | -175.4 | 35.5 | -29.2 | 0 | 0 | 0 | 110.7 | ||||
| 76 | N | 37.5 | Very low | 40 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -167.5 | 110 | 153.5 | -123.3 | -10.8 | 0 | 0 | 0 | 109.4 | N74 | N74-N76 PolarHBondContact O-N 3.01Š| ||
| 77 | E | 34.7 | Very low | 40.4 | Very low | 195 Ų | 195 | 145.6 Ų | 145.6 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | 173.6 | 136.3 | 123.7 | -90.7 | -169.7 | 171.8 | 0 | 0 | 110.2 | |||||
| 78 | Q | 38.8 | Very low | 40.2 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -108.7 | 104 | -170.1 | -170 | 177.3 | 23.5 | 0 | 0 | 108.2 | ||||
| 79 | R | 35 | Very low | 40.3 | Very low | 230 Ų | 230 | 150.7 Ų | 150.7 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -151.9 | 103.9 | 166.6 | -88.9 | -68.6 | -141.4 | -179 | 4.6 | 111.4 | ||||
| 80 | T | 37.5 | Very low | 40.5 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 14.4 | 109.5 | 139.8 | 39.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 81 | N | 33.9 | Very low | 40.7 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -156.9 | 131.8 | 137 | -120.4 | -5.7 | 0 | 0 | 0 | 110.4 | ||||
| 82 | P | 46.7 | Very low | 40.9 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -96.7 | 114.3 | 177.7 | 34 | -24.6 | 0 | 0 | 0 | 110 | ||||
| 83 | G | 46.3 | Very low | 40.9 | Very low | 77 Ų | 77 | 153.1 Ų | 153.1 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 151.3 | 74.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 84 | S | 42.3 | Very low | 41.2 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -163.7 | 34.5 | 161.7 | 67.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 85 | D | 41.3 | Very low | 41 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -106.5 | 82.4 | 172.4 | -92.2 | -37.5 | 0 | 0 | 0 | 110.3 | ||||
| 86 | Q | 45.9 | Very low | 40.7 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -149.2 | 11.5 | 171.2 | -139.5 | 72.5 | 64.8 | 0 | 0 | 117 | ||||
| 87 | F | 46.4 | Very low | 41 | Very low | 208 Ų | 208 | 150.8 Ų | 150.8 | 91% | 0.912 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -98.3 | 11.9 | -172.3 | -135.6 | -94.4 | 0 | 0 | 0 | 117.5 | ||
| 88 | W | 42.5 | Very low | 41.1 | Very low | 223 Ų | 223 | 149.9 Ų | 149.9 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -155.6 | 31.4 | 173.6 | 65.3 | -82.3 | 0 | 0 | 0 | 117.3 | P90 | W88-P90 WeakPolarHBondContact O-CD 3.35Š| ||
| 89 | I | 45 | Very low | 41 | Very low | 130 Ų | 130 | 149 Ų | 149 | 67% | 0.667 | 81% | 0.811 | S | S | * | * | trans | -85.1 | 119.5 | 169.9 | -53.1 | -173.5 | 0 | 0 | 0 | 109.6 | N91 | I89-N91 PolarHBondContact O-N 3.03Š| ||
| 90 | P | 41.9 | Very low | 41.2 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | -74.3 | 118.7 | 167.5 | -2.2 | 20.3 | 0 | 0 | 0 | 108.3 | W88 N92 | W88-P90 WeakPolarHBondContact O-CD 3.35Å; P90-N92 PolarHBondContact O-N 3.41Å | ||
| 91 | N | 38.9 | Very low | 41.1 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -72.5 | 113.7 | 171.5 | -166 | 41.1 | 0 | 0 | 0 | 109 | I89 N93 | I89-N91 PolarHBondContact O-N 3.03Å; N91-N93 PolarHBondContact O-N 3.02Å; N91-N93 VanDerWaalsContact O-N 3.09Å | ||
| 92 | N | 50.3 | Low | 41.7 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -68.2 | 96.3 | 167.2 | -99.5 | 15.3 | 0 | 0 | 0 | 109 | P90 | P90-N92 PolarHBondContact O-N 3.41Š| ||
| 93 | N | 36.6 | Very low | 41.5 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -154.7 | 130.4 | 147 | -126 | 25.4 | 0 | 0 | 0 | 108.9 | N91 | N91-N93 PolarHBondContact O-N 3.02Å; N91-N93 VanDerWaalsContact O-N 3.09Å | ||
| 94 | G | 45.4 | Very low | 41.4 | Very low | 87 Ų | 87 | 150 Ų | 150 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -56.3 | 135.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 95 | G | 33.1 | Very low | 41.9 | Very low | 72 Ų | 72 | 153.2 Ų | 153.2 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 178.8 | 116.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 96 | Y | 34.5 | Very low | 42.5 | Very low | 217 Ų | 217 | 150 Ų | 150 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -52 | 139.4 | 173.6 | -84 | -102.9 | 0 | 0 | 0 | 111.9 | H98 | Y96-H98 PolarHBondContact O-N 3.18Š| ||
| 97 | P | 43.8 | Very low | 43.2 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -77.4 | 93.1 | 163.8 | 31 | -29.5 | 0 | 0 | 0 | 109.1 | ||||
| 98 | H | 37.4 | Very low | 44.8 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | trans | -86.3 | 109 | 163 | -119.7 | -46.5 | 0 | 0 | 0 | 108.6 | Y96 | Y96-H98 PolarHBondContact O-N 3.18Š| ||
| 99 | Q | 36.9 | Very low | 46 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | 161 | 90.2 | 132.4 | -88.9 | -167.5 | 29.3 | 0 | 0 | 109.3 | Y101 | Q99-Y101 PolarHBondContact O-N 2.88Š| ||
| 100 | M | 38 | Very low | 47.5 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 97% | 0.966 | 76% | 0.759 | S | S | * | * | trans | -78 | 93.3 | 149.4 | -77.5 | -75.8 | 175.6 | 0 | 0 | 106.3 | ||||
| 101 | Y | 35.9 | Very low | 49.2 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 74% | 0.737 | 74% | 0.743 | S | S | * | * | trans | -92.5 | 133.1 | 158.6 | -159.5 | -96.8 | 0 | 0 | 0 | 107.1 | Q99 Q103 | Q99-Y101 PolarHBondContact O-N 2.88Å; Y101-Q103 PolarHBondContact O-N 3.47Å; Y101-Q103 VanDerWaalsContact O-N 3.13Å | ||
| 102 | P | 47.5 | Very low | 51 | Low | 100 Ų | 100 | 129.6 Ų | 129.6 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | -62.1 | 120.2 | 174.4 | -14.4 | 28.1 | 0 | 0 | 0 | 107.8 | A104 | P102-A104 VanDerWaalsContact C-N 3.27Å; P102-A104 PolarHBondContact O-N 2.84Å | ||
| 103 | Q | 40.7 | Very low | 52.2 | Low | 184 Ų | 184 | 127.9 Ų | 127.9 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | trans | -58.9 | 98.7 | 166.4 | -162.7 | 116.5 | -17.5 | 0 | 0 | 106.3 | Y101 F105 | Y101-Q103 PolarHBondContact O-N 3.47Å; Y101-Q103 VanDerWaalsContact O-N 3.13Å; Q103-F105 PolarHBondContact O-N 3.47Å | ||
| 104 | A | 44.5 | Very low | 54.1 | Low | 75 Ų | 75 | 127.7 Ų | 127.7 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | trans | -55.6 | 119.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | P102 G106 | P102-A104 VanDerWaalsContact C-N 3.27Å; P102-A104 PolarHBondContact O-N 2.84Å; A104-G106 PolarHBondContact O-N 2.89Å; A104-G106 VanDerWaalsContact O-N 3.07Å | ||
| 105 | F | 54.2 | Low | 55.4 | Low | 186 Ų | 186 | 126.9 Ų | 126.9 | 82% | 0.816 | 70% | 0.695 | S | S | * | * | trans | -39.3 | 121 | 163.4 | -70.3 | -90 | 0 | 0 | 0 | 106.5 | Q103 L107 | Q103-F105 PolarHBondContact O-N 3.47Å; F105-L107 WeakPolarHBondContact O-CB 3.35Å; F105-L107 WeakPolarHBondContact O-CG 3.34Å; F105-L107 PolarHBondContact O-N 3.39Å | ||
| 106 | G | 53.6 | Low | 57.4 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -57.2 | 66.1 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A104 | A104-G106 PolarHBondContact O-N 2.89Å; A104-G106 VanDerWaalsContact O-N 3.07Å |
| 107 | L | 59.9 | Low | 58.9 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 62% | 0.618 | 67% | 0.673 | S | S | * | * | trans | -109.5 | 119.2 | 177.6 | -63.8 | 176.6 | 0 | 0 | 0 | 104.7 | F105 D111 | F105-L107 WeakPolarHBondContact O-CB 3.35Å; F105-L107 WeakPolarHBondContact O-CG 3.34Å; F105-L107 PolarHBondContact O-N 3.39Å; L107-D111 HydrophobicContact CB-CB 4.41Å; L107-D111 HydrophobicContact CD2-CB 4.25Å | ||
| 108 | T | 80.5 | Confident | 59.5 | Low | 69 Ų | 69 | 119.5 Ų | 119.5 | 42% | 0.423 | 66% | 0.657 | S | S | . | * | trans | -68.8 | 155.3 | 170.2 | 63.2 | 0 | 0 | 0 | 0 | 109 | E110 D111 A112 | T108-E110 PolarHBondContact O-N 2.91Å; T108-E110 VanDerWaalsContact O-N 3.13Å; T108-D111 WeakPolarHBondContact CB-OD2 3.41Å; T108-D111 PolarHBondContact N-OD2 2.87Å; T108-D111 PolarHBondContact O-N 3.29Å; T108-D111 PolarHBondContact OG1-N 3.32Å; T108-D111 PolarHBondContact OG1-OD2 3.44Å; T108-A112 PolarHBondContact O-N 2.95Å | ||
| 109 | P | 67.8 | Low | 60.3 | Low | 105 Ų | 105 | 115 Ų | 115 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -51.6 | -32.5 | 173.2 | -26.9 | 36 | 0 | 0 | 0 | 112.9 | M113 | P109-M113 PolarHBondContact O-N 2.74Å |
| 110 | E | 75.5 | Confident | 60.9 | Low | 129 Ų | 129 | 112.1 Ų | 112.1 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.7 | -42.7 | 173.7 | -76.1 | 65.1 | -150.9 | 0 | 0 | 112.9 | T108 A112 M113 E114 | T108-E110 PolarHBondContact O-N 2.91Å; T108-E110 VanDerWaalsContact O-N 3.13Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 3.26Å; E110-M113 WeakPolarHBondContact O-CB 3.42Å; E110-M113 PolarHBondContact O-N 2.76Å; E110-M113 VanDerWaalsContact O-N 3.13Å; E110-E114 PolarHBondContact O-N 3.32Å |
| 111 | D | 78.1 | Confident | 61.4 | Low | 70 Ų | 70 | 107.5 Ų | 107.5 | 37% | 0.374 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.7 | -37.5 | 179.3 | -60.8 | -44.9 | 0 | 0 | 0 | 112.2 | L107 T108 M113 A115 | L107-D111 HydrophobicContact CB-CB 4.41Å; L107-D111 HydrophobicContact CD2-CB 4.25Å; T108-D111 WeakPolarHBondContact CB-OD2 3.41Å; T108-D111 PolarHBondContact N-OD2 2.87Å; T108-D111 PolarHBondContact O-N 3.29Å; T108-D111 PolarHBondContact OG1-N 3.32Å; T108-D111 PolarHBondContact OG1-OD2 3.44Å; D111-M113 VanDerWaalsContact C-N 3.32Å; D111-A115 PolarHBondContact O-N 3.03Å; D111-A115 VanDerWaalsContact O-N 3.14Å |
| 112 | A | 77 | Confident | 61.9 | Low | 57 Ų | 57 | 107.1 Ų | 107.1 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.8 | -33.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T108 E110 L116 | T108-A112 PolarHBondContact O-N 2.95Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 3.26Å; A112-L116 WeakPolarHBondContact O-CB 3.33Å; A112-L116 PolarHBondContact O-N 3.09Å |
| 113 | M | 75.6 | Confident | 61.9 | Low | 117 Ų | 117 | 111.9 Ų | 111.9 | 58% | 0.576 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71 | -41.6 | 176.1 | -170 | 179.2 | -72.9 | 0 | 0 | 111.3 | P109 E110 D111 L116 I117 | P109-M113 PolarHBondContact O-N 2.74Å; E110-M113 WeakPolarHBondContact O-CB 3.42Å; E110-M113 PolarHBondContact O-N 2.76Å; E110-M113 VanDerWaalsContact O-N 3.13Å; D111-M113 VanDerWaalsContact C-N 3.32Å; M113-L116 PolarHBondContact O-N 2.79Å; M113-I117 HydrophobicContact CG-CD1 3.66Å; M113-I117 HydrophobicContact CG-CG1 4.4Å; M113-I117 WeakPolarHBondContact O-CB 3.3Å; M113-I117 VanDerWaalsContact O-CG1 3.25Å; M113-I117 WeakPolarHBondContact O-CG1 3.43Å; M113-I117 PolarHBondContact O-N 3.49Å; M113-I117 HydrophobicContact SD-CD1 4.35Å |
| 114 | E | 75.4 | Confident | 61.5 | Low | 147 Ų | 147 | 106.3 Ų | 106.3 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.2 | -39.5 | 175.8 | -78 | -169 | 170.6 | 0 | 0 | 112.7 | E110 L116 I117 G118 | E110-E114 PolarHBondContact O-N 3.32Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-L116 PolarHBondContact O-N 2.74Å; E114-I117 PolarHBondContact O-N 2.96Å; E114-G118 PolarHBondContact O-N 3.49Å |
| 115 | A | 74.4 | Confident | 61.2 | Low | 71 Ų | 71 | 111.8 Ų | 111.8 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.2 | -36.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D111 A119 | D111-A115 PolarHBondContact O-N 3.03Å; D111-A115 VanDerWaalsContact O-N 3.14Å; A115-A119 PolarHBondContact O-N 3.39Å |
| 116 | L | 74.4 | Confident | 61 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.8 | -37.9 | 178.3 | -172.7 | 63 | 0 | 0 | 0 | 112.2 | A112 M113 E114 T120 | A112-L116 WeakPolarHBondContact O-CB 3.33Å; A112-L116 PolarHBondContact O-N 3.09Å; M113-L116 PolarHBondContact O-N 2.79Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-L116 PolarHBondContact O-N 2.74Å; L116-T120 PolarHBondContact O-OG1 3.28Å |
| 117 | I | 66.1 | Low | 60.1 | Low | 94 Ų | 94 | 110.1 Ų | 110.1 | 48% | 0.482 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -75.9 | -36.2 | 178.6 | -64.8 | 169.1 | 0 | 0 | 0 | 111 | M113 E114 A119 T120 T121 | M113-I117 HydrophobicContact CG-CD1 3.66Å; M113-I117 HydrophobicContact CG-CG1 4.4Å; M113-I117 WeakPolarHBondContact O-CB 3.3Å; M113-I117 VanDerWaalsContact O-CG1 3.25Å; M113-I117 WeakPolarHBondContact O-CG1 3.43Å; M113-I117 PolarHBondContact O-N 3.49Å; M113-I117 HydrophobicContact SD-CD1 4.35Å; E114-I117 PolarHBondContact O-N 2.96Å; I117-A119 VanDerWaalsContact C-N 3.26Å; I117-A119 PolarHBondContact O-N 3.3Å; I117-T120 PolarHBondContact O-N 3.4Å; I117-T120 PolarHBondContact O-OG1 3.17Å; I117-T121 PolarHBondContact O-OG1 2.96Å |
| 118 | G | 56.1 | Low | 59 | Low | 52 Ų | 52 | 108.9 Ų | 108.9 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.9 | -28.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E114 T120 | E114-G118 PolarHBondContact O-N 3.49Å; G118-T120 VanDerWaalsContact C-N 3.32Å; G118-T120 PolarHBondContact O-N 2.93Å |
| 119 | A | 53.9 | Low | 57.5 | Low | 83 Ų | 83 | 110.6 Ų | 110.6 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -15.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | A115 I117 | A115-A119 PolarHBondContact O-N 3.39Å; I117-A119 VanDerWaalsContact C-N 3.26Å; I117-A119 PolarHBondContact O-N 3.3Å |
| 120 | T | 50.6 | Low | 56 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -4.1 | -171.2 | 56.5 | 0 | 0 | 0 | 0 | 114.8 | L116 I117 G118 | L116-T120 PolarHBondContact O-OG1 3.28Å; I117-T120 PolarHBondContact O-N 3.4Å; I117-T120 PolarHBondContact O-OG1 3.17Å; G118-T120 VanDerWaalsContact C-N 3.32Å; G118-T120 PolarHBondContact O-N 2.93Å |
| 121 | T | 47.9 | Very low | 53.9 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 61% | 0.607 | 68% | 0.677 | S | S | * | * | trans | -121.7 | 21.6 | -169.5 | -33.7 | 0 | 0 | 0 | 0 | 115.7 | I117 Q123 | I117-T121 PolarHBondContact O-OG1 2.96Å; T121-Q123 PolarHBondContact O-N 2.93Å | ||
| 122 | Q | 47.1 | Very low | 51.9 | Low | 179 Ų | 179 | 117.5 Ų | 117.5 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | trans | -98.8 | 71.8 | 170.3 | -69.8 | -86.7 | 34.1 | 0 | 0 | 110.8 | ||||
| 123 | Q | 46.1 | Very low | 49.9 | Very low | 200 Ų | 200 | 123.3 Ų | 123.3 | 94% | 0.935 | 72% | 0.719 | S | S | * | * | trans | -113.7 | 110 | 152.2 | -80.8 | -166.1 | 0.5 | 0 | 0 | 108 | T121 | T121-Q123 PolarHBondContact O-N 2.93Š| ||
| 124 | G | 32.4 | Very low | 48.8 | Very low | 67 Ų | 67 | 121.6 Ų | 121.6 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | trans | 156.9 | 88.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 125 | H | 39.1 | Very low | 46.7 | Very low | 190 Ų | 190 | 122 Ų | 122 | 88% | 0.88 | 72% | 0.718 | S | S | * | * | trans | -76.2 | 156.7 | 161.9 | -69.2 | -80.4 | 0 | 0 | 0 | 110.6 | ||||
| 126 | P | 48.6 | Very low | 44.5 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | -139.7 | 135.4 | 99.4 | 31.8 | -15.4 | 0 | 0 | 0 | 116.2 | |||||
| 127 | S | 35.2 | Very low | 42.4 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 38.1 | 136.7 | 131.7 | -50.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 128 | A | 37.2 | Very low | 40.9 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | cis | -175 | -169 | 8.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 129 | P | 49 | Very low | 40.7 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | cis | -138.4 | 163 | -4.2 | 22.9 | 3.6 | 0 | 0 | 0 | 118.3 | ||||
| 130 | H | 36.5 | Very low | 39.5 | Very low | 195 Ų | 195 | 137 Ų | 137 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | trans | 77.2 | 124 | 148.8 | -66.4 | 18.7 | 0 | 0 | 0 | 118.8 | ||||
| 131 | G | 31 | Very low | 38.8 | Very low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | cis | -166.9 | 175.7 | 13.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 132 | H | 36 | Very low | 38.2 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | 71 | 83.4 | 162.7 | -53.2 | -66.8 | 0 | 0 | 0 | 120 | ||||
| 133 | H | 34.8 | Very low | 37.5 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | -0.3 | 163.8 | 126 | -142.4 | 41.7 | 0 | 0 | 0 | 119.3 | |||||
| 134 | P | 53.7 | Low | 37.3 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 53% | 0.526 | 77% | 0.774 | S | S | . | * | -149.8 | -166.4 | -68.8 | 49.2 | -34.3 | 0 | 0 | 0 | 115.4 | |||||
| 135 | Q | 30.8 | Very low | 37.4 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 84.5 | 135.2 | 151.7 | -66.8 | -72.6 | -11.6 | 0 | 0 | 116.6 | ||||
| 136 | S | 28.3 | Very low | 37.2 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | -158.3 | 151 | 29.7 | 33.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 137 | Y | 29.8 | Very low | 36.6 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -54.5 | 160 | 161.5 | -80.9 | -102.1 | 0 | 0 | 0 | 112.1 | ||||
| 138 | Q | 33.8 | Very low | 36.5 | Very low | 167 Ų | 167 | 142 Ų | 142 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | cis | -165 | 175.3 | 47.8 | -116 | -67.9 | -79.8 | 0 | 0 | 107.7 | ||||
| 139 | P | 52.1 | Low | 36.3 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | trans | -90.2 | 162.1 | -167.6 | 39.7 | -34.1 | 0 | 0 | 0 | 112.4 | ||||
| 140 | D | 30.1 | Very low | 36 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | trans | -155.8 | 150 | 152.5 | -93.5 | -44.3 | 0 | 0 | 0 | 112.3 | ||||
| 141 | Y | 34.8 | Very low | 35.9 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -86.7 | 167.7 | -174.9 | -170.5 | -98.3 | 0 | 0 | 0 | 110.2 | ||||
| 142 | D | 35.1 | Very low | 36.3 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 77.1 | 135.9 | 173.9 | -66.5 | -44.7 | 0 | 0 | 0 | 120.1 | ||||
| 143 | G | 32.6 | Very low | 36.2 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 148.1 | 70.3 | 158 | 0 | 0 | 0 | 0 | 0 | 116.6 | G145 | G143-G145 PolarHBondContact O-N 3.36Š| ||
| 144 | Y | 42.1 | Very low | 36.1 | Very low | 250 Ų | 250 | 150.3 Ų | 150.3 | 98% | 0.98 | 78% | 0.783 | S | S | * | * | trans | -60.5 | 122.2 | 152.4 | -103.5 | -99 | 0 | 0 | 0 | 108.7 | ||||
| 145 | G | 34.2 | Very low | 35.7 | Very low | 66 Ų | 66 | 152.1 Ų | 152.1 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 172 | 116.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G143 | G143-G145 PolarHBondContact O-N 3.36Š| ||
| 146 | H | 36.4 | Very low | 35.9 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | 64.5 | 94.3 | 144.2 | -104 | -86.5 | 0 | 0 | 0 | 120 | S148 | H146-S148 PolarHBondContact ND1-OG 3.35Š| ||
| 147 | L | 35.2 | Very low | 36.4 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -97.8 | 100.3 | 146 | -82.6 | 159.3 | 0 | 0 | 0 | 108.1 | ||||
| 148 | S | 32.7 | Very low | 37.3 | Very low | 89 Ų | 89 | 147.5 Ų | 147.5 | 62% | 0.622 | 81% | 0.805 | S | S | * | * | trans | -131 | 99.2 | 162.8 | 51.5 | 0 | 0 | 0 | 0 | 107.4 | H146 | H146-S148 PolarHBondContact ND1-OG 3.35Š| ||
| 149 | D | 33 | Very low | 37.3 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -90.6 | 145.8 | 170.4 | -128.8 | -15.9 | 0 | 0 | 0 | 109.3 | ||||
| 150 | P | 42.8 | Very low | 36.5 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | trans | -100.6 | 140.4 | -164.6 | 36.5 | -29.2 | 0 | 0 | 0 | 112.5 | ||||
| 151 | V | 35 | Very low | 37.5 | Very low | 138 Ų | 138 | 144 Ų | 144 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -136.6 | 102.1 | 159.3 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 152 | Q | 39 | Very low | 37.8 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | 14.3 | 118.6 | 142.4 | -59.6 | -71.2 | 8.3 | 0 | 0 | 118.3 | ||||
| 153 | H | 33.5 | Very low | 38.1 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -146.5 | 141.6 | 151.8 | -107.8 | 66.9 | 0 | 0 | 0 | 112 | ||||
| 154 | Y | 33.5 | Very low | 38.7 | Very low | 228 Ų | 228 | 147.4 Ų | 147.4 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -66.8 | 164.7 | -172.4 | -114.3 | -111.4 | 0 | 0 | 0 | 114.8 | ||||
| 155 | P | 44.2 | Very low | 38.4 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -97.2 | 146 | -165.2 | 35.2 | -25.3 | 0 | 0 | 0 | 114.7 | ||||
| 156 | G | 36.2 | Very low | 38.6 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -175.5 | 99.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 157 | L | 37.3 | Very low | 39.4 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -75 | 179.5 | 173.9 | -82.1 | 163.2 | 0 | 0 | 0 | 112.5 | ||||
| 158 | P | 49.7 | Very low | 39.2 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -137.6 | 172 | -13.3 | 25.3 | -1.6 | 0 | 0 | 0 | 115.6 | ||||
| 159 | G | 33.3 | Very low | 39.4 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 121.4 | 112.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 160 | H | 35 | Very low | 39.6 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | trans | -69 | -179.6 | 168.3 | -153.7 | -107.6 | 0 | 0 | 0 | 112.4 | ||||
| 161 | P | 52 | Low | 39.1 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | cis | -126.2 | 174.2 | -4.5 | 1 | 26.9 | 0 | 0 | 0 | 117.5 | ||||
| 162 | D | 40.4 | Very low | 39 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | 13.5 | 132.4 | 145.3 | -73.9 | -53.9 | 0 | 0 | 0 | 122.4 | ||||
| 163 | M | 42.5 | Very low | 38.6 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | -169.6 | 136.6 | 129.3 | -104.1 | -74.8 | 140 | 0 | 0 | 112.6 | |||||
| 164 | Q | 44.7 | Very low | 39.5 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -86.2 | 145.1 | 176.1 | -64.1 | 160.8 | -9.3 | 0 | 0 | 110.4 | ||||
| 165 | G | 35.3 | Very low | 39.7 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 176 | 77 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 166 | I | 38.4 | Very low | 39.8 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 37.1 | 176.1 | 143.9 | -15.8 | -170.6 | 0 | 0 | 0 | 122.2 | ||||
| 167 | P | 53.3 | Low | 40.1 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | -112.9 | 173.8 | -110 | 39.6 | -21.7 | 0 | 0 | 0 | 114.6 | |||||
| 168 | G | 32.2 | Very low | 40 | Very low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 145.4 | 147.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 169 | S | 35.2 | Very low | 39.5 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | 97.3 | 80.8 | 146.7 | -54.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 170 | H | 38.9 | Very low | 39.8 | Very low | 181 Ų | 181 | 145 Ų | 145 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -35.4 | 129.8 | 127.6 | 174 | -56.2 | 0 | 0 | 0 | 113.5 | |||||
| 171 | C | 31.5 | Very low | 39.6 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -176 | 144.8 | 158.3 | -91.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 172 | Q | 33 | Very low | 38.9 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | cis | -169.3 | 146.6 | 11.2 | -109.4 | 165 | 18.9 | 0 | 0 | 108.4 | ||||
| 173 | D | 31.6 | Very low | 38.4 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -96.1 | 178.8 | 147.9 | -144.7 | -6.3 | 0 | 0 | 0 | 105.9 | ||||
| 174 | P | 51.9 | Low | 38.3 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | cis | -140.3 | 172.7 | -13.2 | 22.6 | 4 | 0 | 0 | 0 | 116 | ||||
| 175 | Y | 37.9 | Very low | 38.4 | Very low | 207 Ų | 207 | 137.6 Ų | 137.6 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 54.1 | 127.8 | 144.9 | -90.9 | -102.7 | 0 | 0 | 0 | 123.6 | ||||
| 176 | L | 46.3 | Very low | 38.3 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | -157.2 | 146.6 | 123.8 | -105.7 | 170.1 | 0 | 0 | 0 | 111.7 | |||||
| 177 | K | 42.5 | Very low | 38.2 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -115.8 | 139.2 | -177.8 | 169.2 | -175 | 175.6 | -177.9 | 0 | 106.8 | ||||
| 178 | D | 34.3 | Very low | 37.9 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 172.5 | 159.5 | 132.4 | -91 | -35.5 | 0 | 0 | 0 | 113.3 | ||||
| 179 | E | 40.1 | Very low | 38 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -84.5 | 154.1 | -161.1 | -47.5 | -150.2 | 126.4 | 0 | 0 | 115.7 | ||||
| 180 | L | 39.1 | Very low | 38.1 | Very low | 177 Ų | 177 | 144 Ų | 144 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | trans | 159.6 | 146.5 | 131.9 | -115.8 | 68.9 | 0 | 0 | 0 | 110.7 | ||||
| 181 | G | 31.3 | Very low | 38 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 110.4 | 104.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 182 | S | 35.6 | Very low | 38.3 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -41.4 | 145.9 | 152.9 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 183 | E | 30.1 | Very low | 38.6 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | 168.8 | 132.6 | 116.5 | -88.3 | 169.7 | 172 | 0 | 0 | 111 | |||||
| 184 | S | 40.3 | Very low | 39.1 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138.9 | 172.6 | -168.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 185 | P | 47.3 | Very low | 38.3 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 122 | 161.6 | 0.8 | 19.2 | 0 | 0 | 0 | 110.4 | ||
| 186 | E | 32.6 | Very low | 38.7 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 150.9 | 165.8 | -145.2 | 173.4 | 127.1 | 0 | 0 | 111.3 | ||
| 187 | S | 36.3 | Very low | 38.6 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 160.4 | 172.5 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 188 | P | 48.9 | Very low | 38.7 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | -134.6 | 134.2 | 125.9 | 33.1 | -20.1 | 0 | 0 | 0 | 114.8 | |||||
| 189 | E | 34.3 | Very low | 39.2 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | 52.4 | 117.9 | 136.2 | -61 | -174.5 | 133.6 | 0 | 0 | 121.7 | ||||
| 190 | A | 36.4 | Very low | 39.4 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -149.5 | 125.9 | 136.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 191 | Q | 37.1 | Very low | 39.7 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 70% | 0.696 | 80% | 0.802 | S | S | * | * | trans | -53 | 141.4 | -178.7 | -97.8 | 90.4 | -37.3 | 0 | 0 | 117.6 | ||||
| 192 | Q | 37.3 | Very low | 40.2 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 45.3 | 113 | 129.7 | -63.2 | 177.8 | 18.4 | 0 | 0 | 120.6 | |||||
| 193 | V | 38.8 | Very low | 40.7 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -138.1 | 132.3 | 133.9 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 194 | L | 42.3 | Very low | 41.2 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -63.4 | 138.3 | -178.7 | -72.4 | 104.9 | 0 | 0 | 0 | 113.2 | ||||
| 195 | G | 36.4 | Very low | 41.4 | Very low | 74 Ų | 74 | 145.5 Ų | 145.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -162.7 | 102.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | H197 | G195-H197 PolarHBondContact O-N 2.89Š| ||
| 196 | A | 44.4 | Very low | 41.2 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -65.3 | 123.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | H | 44.7 | Very low | 41.6 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | -152.8 | 108.1 | 158.5 | -114.7 | -83.1 | 0 | 0 | 0 | 112.3 | G195 | G195-H197 PolarHBondContact O-N 2.89Š| ||
| 198 | H | 44.4 | Very low | 42 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 38.1 | 106.5 | 149.9 | -134.6 | 65.2 | 0 | 0 | 0 | 120.6 | L200 | H198-L200 PolarHBondContact O-N 2.93Å; H198-L200 VanDerWaalsContact O-N 3.15Å | ||
| 199 | Q | 46.3 | Very low | 41.9 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -63.4 | 96.8 | 163.5 | -173 | 167.3 | 27.6 | 0 | 0 | 111.3 | ||||
| 200 | L | 42.9 | Very low | 42.8 | Very low | 146 Ų | 146 | 153 Ų | 153 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -106.2 | 102.4 | 156.2 | -78.9 | 166.6 | 0 | 0 | 0 | 108.3 | H198 Q202 | H198-L200 PolarHBondContact O-N 2.93Å; H198-L200 VanDerWaalsContact O-N 3.15Å; L200-Q202 PolarHBondContact O-N 2.98Å | ||
| 201 | Q | 45.8 | Very low | 43.6 | Very low | 170 Ų | 170 | 157.1 Ų | 157.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -57.3 | 95.7 | 171.9 | -168 | 108.3 | 75.4 | 0 | 0 | 109.6 | ||||
| 202 | Q | 42.4 | Very low | 44.5 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -82.5 | 123 | 161.9 | -73.6 | -159.7 | 42.9 | 0 | 0 | 108.4 | L200 Q204 | L200-Q202 PolarHBondContact O-N 2.98Å; Q202-Q204 PolarHBondContact O-N 2.84Å; Q202-Q204 VanDerWaalsContact O-N 3.1Å | ||
| 203 | P | 45.3 | Very low | 45.3 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | trans | -69 | 111.7 | 170.3 | -4.5 | 20.1 | 0 | 0 | 0 | 107.8 | H205 | P203-H205 PolarHBondContact O-N 3.03Š| ||
| 204 | Q | 41 | Very low | 45.9 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | -64.8 | 77.4 | 163.2 | -71.3 | -75.2 | 1 | 0 | 0 | 108.6 | Q202 G206 | Q202-Q204 PolarHBondContact O-N 2.84Å; Q202-Q204 VanDerWaalsContact O-N 3.1Å; Q204-G206 VanDerWaalsContact C-N 3.26Å; Q204-G206 PolarHBondContact O-N 2.82Å | ||
| 205 | H | 43.4 | Very low | 46.6 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 74% | 0.736 | 68% | 0.683 | S | S | * | * | trans | -73.8 | 92.2 | 160 | -82.5 | -38.8 | 0 | 0 | 0 | 107.4 | P203 R207 | P203-H205 PolarHBondContact O-N 3.03Å; H205-R207 PolarHBondContact O-N 3.37Å | ||
| 206 | G | 43.6 | Very low | 47.6 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | trans | -51.2 | 93.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q204 H208 | Q204-G206 VanDerWaalsContact C-N 3.26Å; Q204-G206 PolarHBondContact O-N 2.82Å; G206-H208 PolarHBondContact O-N 3.22Å | ||
| 207 | R | 40.9 | Very low | 48.9 | Very low | 227 Ų | 227 | 139.9 Ų | 139.9 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | trans | -76.5 | 61.5 | 161.9 | -67.8 | -161.7 | -177.8 | -135.8 | 3.8 | 107.8 | H205 D209 | H205-R207 PolarHBondContact O-N 3.37Å; R207-D209 PolarHBondContact O-N 2.95Å | ||
| 208 | H | 46.1 | Very low | 50.7 | Low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.856 | 63% | 0.634 | S | S | * | * | trans | -72.2 | 92.8 | 152.8 | -98.6 | -76.9 | 0 | 0 | 0 | 105.9 | G206 R210 | G206-H208 PolarHBondContact O-N 3.22Å; H208-R210 PolarHBondContact O-N 2.99Å | ||
| 209 | D | 45.7 | Very low | 53.1 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 67% | 0.674 | 62% | 0.615 | S | S | * | * | trans | -25.1 | 104.2 | 163 | -87.4 | -57.7 | 0 | 0 | 0 | 111.2 | R207 R211 | R207-D209 PolarHBondContact O-N 2.95Å; D209-R211 HydrophobicContact CB-CG 4.41Å; D209-R211 PolarHBondContact O-N 3.43Å | ||
| 210 | R | 53.1 | Low | 55.5 | Low | 246 Ų | 246 | 122.4 Ų | 122.4 | 93% | 0.928 | 59% | 0.594 | S | S | * | * | trans | -58.4 | 87.9 | 135.1 | -82.7 | -170.1 | 173.6 | -171.2 | -0.8 | 104.8 | H208 S212 | H208-R210 PolarHBondContact O-N 2.99Å; R210-S212 VanDerWaalsContact C-N 3.25Å; R210-S212 PolarHBondContact O-N 3.15Å | ||
| 211 | R | 52.8 | Low | 58 | Low | 192 Ų | 192 | 122.7 Ų | 122.7 | 73% | 0.725 | 59% | 0.591 | S | S | * | * | trans | -46.6 | 103 | 163.3 | -88.4 | -177.8 | 171 | -169.5 | -1.8 | 104.9 | D209 N213 | D209-R211 HydrophobicContact CB-CG 4.41Å; D209-R211 PolarHBondContact O-N 3.43Å; R211-N213 PolarHBondContact O-N 3.43Å | ||
| 212 | S | 56.3 | Low | 60.4 | Low | 31 Ų | 31 | 119.6 Ų | 119.6 | 22% | 0.217 | 58% | 0.577 | C | S | . | * | trans | -49.4 | 135.9 | 176.7 | 53.6 | 0 | 0 | 0 | 0 | 106.9 | R210 A214 E215 R245 | R210-S212 VanDerWaalsContact C-N 3.25Å; R210-S212 PolarHBondContact O-N 3.15Å; S212-A214 PolarHBondContact O-N 3.29Å; S212-E215 WeakPolarHBondContact O-CA 3.42Å; S212-E215 VanDerWaalsContact O-CB 3.25Å; S212-E215 WeakPolarHBondContact O-CB 3.09Å; S212-E215 PolarHBondContact O-N 3.43Å; S212-R245 PolarHBondContact OG-NE 3.23Å; S212-R245 VanDerWaalsContact OG-NE 3.15Å; S212-R245 PolarHBondContact OG-NH2 2.86Å | ||
| 213 | N | 54.4 | Low | 63 | Low | 105 Ų | 105 | 111.7 Ų | 111.7 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -51.2 | -30 | -179.1 | -159.2 | -7.4 | 0 | 0 | 0 | 111.1 | R211 E215 M216 H217 | R211-N213 PolarHBondContact O-N 3.43Å; N213-E215 VanDerWaalsContact C-N 3.35Å; N213-E215 PolarHBondContact O-N 3.29Å; N213-M216 VanDerWaalsContact O-CB 3.27Å; N213-M216 WeakPolarHBondContact O-CB 3.27Å; N213-M216 PolarHBondContact O-N 3.14Å; N213-H217 PolarHBondContact O-CD2 2.92Å |
| 214 | A | 51.8 | Low | 65.5 | Low | 4 Ų | 4 | 109.4 Ų | 109.4 | 3% | 0.033 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -57.2 | -30.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | S212 M216 E242 L246 | S212-A214 PolarHBondContact O-N 3.29Å; A214-M216 VanDerWaalsContact C-N 3.32Å; A214-E242 HydrophobicContact CB-CB 4.25Å; A214-E242 HydrophobicContact CB-CG 4.09Å; A214-L246 HydrophobicContact CB-CD1 4.2Å |
| 215 | E | 55.5 | Low | 68.2 | Low | 45 Ų | 45 | 105 Ų | 105 | 21% | 0.21 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -72.9 | -25.6 | 173 | -159.8 | 104.3 | -122 | 0 | 0 | 112.3 | S212 N213 H217 R245 K249 | S212-E215 WeakPolarHBondContact O-CA 3.42Å; S212-E215 VanDerWaalsContact O-CB 3.25Å; S212-E215 WeakPolarHBondContact O-CB 3.09Å; S212-E215 PolarHBondContact O-N 3.43Å; N213-E215 VanDerWaalsContact C-N 3.35Å; N213-E215 PolarHBondContact O-N 3.29Å; E215-H217 VanDerWaalsContact C-N 3.31Å; E215-R245 VanDerWaalsContact CD-CZ 3.43Å; E215-R245 IonicContact OE1-CZ 3.58Å; E215-R245 IonicContact OE1-NH1 2.76Å; E215-R245 PolarHBondContact OE1-NH1 3.35Å; E215-R245 IonicContact OE1-NH2 3.72Å; E215-R245 IonicContact OE2-CZ 2.96Å; E215-R245 IonicContact OE2-NE 3.65Å; E215-R245 IonicContact OE2-NH1 2.74Å; E215-R245 PolarHBondContact OE2-NH1 2.94Å; E215-R245 IonicContact OE2-NH2 3.26Å; E215-R245 PolarHBondContact OE2-NH2 2.91Å; E215-K249 WeakPolarHBondContact OE1-CD 3.32Å; E215-K249 WeakPolarHBondContact OE1-CE 3.25Å; E215-K249 IonicContact OE1-NZ 3.73Å; E215-K249 PolarHBondContact OE1-NZ 2.89Å |
| 216 | M | 58.8 | Low | 70.8 | Confident | 146 Ų | 146 | 98 Ų | 98 | 72% | 0.719 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -78.5 | -18.3 | -178.3 | -158.5 | 179.6 | -70.6 | 0 | 0 | 112.1 | N213 A214 | N213-M216 VanDerWaalsContact O-CB 3.27Å; N213-M216 WeakPolarHBondContact O-CB 3.27Å; N213-M216 PolarHBondContact O-N 3.14Å; A214-M216 VanDerWaalsContact C-N 3.32Å |
| 217 | H | 70.8 | Confident | 73.3 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -84.2 | -16.8 | -173.1 | -72.2 | -59.9 | 0 | 0 | 0 | 115.5 | N213 E215 | N213-H217 PolarHBondContact O-CD2 2.92Å; E215-H217 VanDerWaalsContact C-N 3.31Å |
| 218 | F | 83.8 | Confident | 76.1 | Confident | 37 Ų | 37 | 91.5 Ų | 91.5 | 16% | 0.162 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -136.3 | 133.7 | 178.6 | -52.3 | -68.7 | 0 | 0 | 0 | 111.5 | L223 M226 L234 L246 | F218-L223 HydrophobicContact CB-CB 4.48Å; F218-M226 HydrophobicContact CB-CE 4.48Å; F218-M226 HydrophobicContact CD1-CE 3.7Å; F218-M226 HydrophobicContact CD1-SD 4.29Å; F218-M226 HydrophobicContact CE1-CE 4.14Å; F218-M226 HydrophobicContact CE1-SD 4.32Å; F218-M226 HydrophobicContact CG-CE 3.99Å; F218-L234 HydrophobicContact CE1-CB 4.36Å; F218-L234 HydrophobicContact CE1-CD1 3.75Å; F218-L234 HydrophobicContact CE1-CG 4.44Å; F218-L234 HydrophobicContact CZ-CB 3.83Å; F218-L234 HydrophobicContact CZ-CD1 4.09Å; F218-L234 HydrophobicContact CZ-CG 4.36Å; F218-L246 HydrophobicContact CD2-CD2 3.91Å; F218-L246 HydrophobicContact CE2-CD2 4.46Å |
| 219 | S | 94.6 | Very high | 78.5 | Confident | 50 Ų | 50 | 93.1 Ų | 93.1 | 35% | 0.35 | 45% | 0.454 | S | S | . | . | trans | -68.5 | 159.3 | 165.4 | 88.7 | 0 | 0 | 0 | 0 | 111 | E221 Q222 L223 | S219-E221 VanDerWaalsContact C-N 3.31Å; S219-E221 PolarHBondContact O-N 3.14Å; S219-E221 PolarHBondContact OG-N 2.96Å; S219-Q222 PolarHBondContact O-N 3.45Å; S219-Q222 WeakPolarHBondContact OG-CG 3.49Å; S219-Q222 PolarHBondContact OG-N 3.16Å; S219-Q222 VanDerWaalsContact OG-N 3.09Å; S219-L223 WeakPolarHBondContact O-CB 3.36Å; S219-L223 PolarHBondContact O-N 3.08Å | ||
| 220 | D | 95.9 | Very high | 81 | Confident | 66 Ų | 66 | 90.9 Ų | 90.9 | 35% | 0.353 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 176.4 | -77.1 | 6 | 0 | 0 | 0 | 111.4 | L223 V224 K249 L253 | D220-L223 PolarHBondContact O-N 3.17Å; D220-V224 WeakPolarHBondContact O-CG2 3.22Å; D220-V224 PolarHBondContact O-N 3.05Å; D220-V224 VanDerWaalsContact O-N 3.13Å; D220-K249 WeakPolarHBondContact OD1-CE 3.47Å; D220-K249 IonicContact OD1-NZ 2.66Å; D220-K249 PolarHBondContact OD1-NZ 3.42Å; D220-L253 HydrophobicContact CB-CD1 3.75Å; D220-L253 HydrophobicContact CB-CD2 4.25Å |
| 221 | E | 96.2 | Very high | 83 | Confident | 152 Ų | 152 | 79.5 Ų | 79.5 | 71% | 0.71 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.1 | -47.5 | 173.5 | -82.6 | 91.5 | -161.7 | 0 | 0 | 112.2 | S219 L223 V224 S225 | S219-E221 VanDerWaalsContact C-N 3.31Å; S219-E221 PolarHBondContact O-N 3.14Å; S219-E221 PolarHBondContact OG-N 2.96Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 3.15Å; E221-V224 PolarHBondContact O-N 3.43Å; E221-S225 VanDerWaalsContact O-CB 3.3Å; E221-S225 WeakPolarHBondContact O-CB 3.34Å; E221-S225 PolarHBondContact O-N 3.39Å; E221-S225 PolarHBondContact O-OG 3.15Å |
| 222 | Q | 96.8 | Very high | 85.1 | Confident | 104 Ų | 104 | 73.8 Ų | 73.8 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 179.1 | -76 | 179 | -41.6 | 0 | 0 | 110.6 | S219 V224 S225 M226 | S219-Q222 PolarHBondContact O-N 3.45Å; S219-Q222 WeakPolarHBondContact OG-CG 3.49Å; S219-Q222 PolarHBondContact OG-N 3.16Å; S219-Q222 VanDerWaalsContact OG-N 3.09Å; Q222-V224 VanDerWaalsContact C-N 3.32Å; Q222-V224 PolarHBondContact O-N 3.34Å; Q222-S225 WeakPolarHBondContact CA-OG 3.4Å; Q222-S225 PolarHBondContact O-N 2.89Å; Q222-S225 PolarHBondContact O-OG 3.07Å; Q222-S225 VanDerWaalsContact O-OG 3.09Å; Q222-M226 WeakPolarHBondContact O-CB 3.44Å; Q222-M226 VanDerWaalsContact O-CG 3.26Å; Q222-M226 WeakPolarHBondContact O-CG 3.5Å; Q222-M226 PolarHBondContact O-N 3.49Å |
| 223 | L | 96.4 | Very high | 87 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.2 | -38.7 | -179 | -176.3 | 59.6 | 0 | 0 | 0 | 112.8 | F218 S219 D220 E221 M226 L231 L246 K249 R250 L253 | F218-L223 HydrophobicContact CB-CB 4.48Å; S219-L223 WeakPolarHBondContact O-CB 3.36Å; S219-L223 PolarHBondContact O-N 3.08Å; D220-L223 PolarHBondContact O-N 3.17Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 3.15Å; L223-M226 HydrophobicContact CD1-CE 4.1Å; L223-L231 HydrophobicContact CD1-CD1 3.85Å; L223-L246 HydrophobicContact CD1-CD2 3.77Å; L223-L246 HydrophobicContact CD2-CD2 4.09Å; L223-K249 HydrophobicContact CD2-CB 4.16Å; L223-K249 HydrophobicContact CD2-CD 3.88Å; L223-K249 HydrophobicContact CD2-CG 3.85Å; L223-R250 HydrophobicContact CD1-CB 4.2Å; L223-R250 HydrophobicContact CD2-CB 4.18Å; L223-R250 HydrophobicContact CG-CB 3.91Å; L223-R250 HydrophobicContact CG-CG 4.28Å; L223-R250 VanDerWaalsContact O-CD 3.24Å; L223-R250 WeakPolarHBondContact O-CD 3.33Å; L223-R250 PolarHBondContact O-NE 3.35Å; L223-R250 VanDerWaalsContact O-NE 3.14Å; L223-L253 HydrophobicContact CD2-CD1 4.24Å |
| 224 | V | 97.6 | Very high | 88.8 | Confident | 53 Ų | 53 | 78.5 Ų | 78.5 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.1 | -43.9 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111.2 | D220 E221 Q222 R250 L253 K254 | D220-V224 WeakPolarHBondContact O-CG2 3.22Å; D220-V224 PolarHBondContact O-N 3.05Å; D220-V224 VanDerWaalsContact O-N 3.13Å; E221-V224 PolarHBondContact O-N 3.43Å; Q222-V224 VanDerWaalsContact C-N 3.32Å; Q222-V224 PolarHBondContact O-N 3.34Å; V224-R250 PolarHBondContact O-NH2 3.42Å; V224-R250 VanDerWaalsContact O-NH2 3.1Å; V224-L253 HydrophobicContact CG2-CB 3.39Å; V224-L253 HydrophobicContact CG2-CD1 3.97Å; V224-L253 HydrophobicContact CG2-CG 4.31Å; V224-K254 HydrophobicContact CG1-CG 4.03Å |
| 225 | S | 97.6 | Very high | 90.8 | Very high | 90 Ų | 90 | 78.9 Ų | 78.9 | 63% | 0.629 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -76.3 | -33.8 | -171.9 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | E221 Q222 S227 | E221-S225 VanDerWaalsContact O-CB 3.3Å; E221-S225 WeakPolarHBondContact O-CB 3.34Å; E221-S225 PolarHBondContact O-N 3.39Å; E221-S225 PolarHBondContact O-OG 3.15Å; Q222-S225 WeakPolarHBondContact CA-OG 3.4Å; Q222-S225 PolarHBondContact O-N 2.89Å; Q222-S225 PolarHBondContact O-OG 3.07Å; Q222-S225 VanDerWaalsContact O-OG 3.09Å; S225-S227 PolarHBondContact O-N 3.21Å |
| 226 | M | 97.5 | Very high | 92.6 | Very high | 14 Ų | 14 | 86.7 Ų | 86.7 | 7% | 0.069 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -52.1 | 141.5 | 179.5 | -82.1 | -174.3 | -71.2 | 0 | 0 | 112 | F218 Q222 L223 E230 L231 L234 R250 | F218-M226 HydrophobicContact CB-CE 4.48Å; F218-M226 HydrophobicContact CD1-CE 3.7Å; F218-M226 HydrophobicContact CD1-SD 4.29Å; F218-M226 HydrophobicContact CE1-CE 4.14Å; F218-M226 HydrophobicContact CE1-SD 4.32Å; F218-M226 HydrophobicContact CG-CE 3.99Å; Q222-M226 WeakPolarHBondContact O-CB 3.44Å; Q222-M226 VanDerWaalsContact O-CG 3.26Å; Q222-M226 WeakPolarHBondContact O-CG 3.5Å; Q222-M226 PolarHBondContact O-N 3.49Å; L223-M226 HydrophobicContact CD1-CE 4.1Å; M226-E230 HydrophobicContact CB-CG 4.47Å; M226-E230 HydrophobicContact CG-CG 4.17Å; M226-E230 HydrophobicContact SD-CG 4.2Å; M226-L231 HydrophobicContact CE-CD1 3.96Å; M226-L234 HydrophobicContact SD-CD1 3.37Å; M226-L234 WeakPolarHBondContact SD-CD1 3.21Å; M226-R250 PolarHBondContact O-NH1 2.85Å; M226-R250 VanDerWaalsContact O-NH1 3.16Å; M226-R250 PolarHBondContact O-NH2 3.43Å |
| 227 | S | 97.8 | Very high | 94.1 | Very high | 61 Ų | 61 | 83.9 Ų | 83.9 | 43% | 0.427 | 43% | 0.428 | S | S | . | . | trans | -64.2 | 164.2 | 173.1 | 73.2 | 0 | 0 | 0 | 0 | 111.6 | S225 R229 E230 L231 | S225-S227 PolarHBondContact O-N 3.21Å; S227-R229 VanDerWaalsContact C-N 3.26Å; S227-R229 PolarHBondContact O-N 3.35Å; S227-E230 PolarHBondContact O-N 3.34Å; S227-E230 VanDerWaalsContact OG-CB 3.27Å; S227-E230 WeakPolarHBondContact OG-CB 2.9Å; S227-E230 PolarHBondContact OG-N 2.89Å; S227-E230 VanDerWaalsContact OG-N 3.09Å; S227-L231 WeakPolarHBondContact O-CB 3.47Å; S227-L231 PolarHBondContact O-N 3.13Å | ||
| 228 | V | 97.7 | Very high | 95.2 | Very high | 96 Ų | 96 | 81 Ų | 81 | 58% | 0.582 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.6 | -38.8 | 174.7 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | N232 | V228-N232 WeakPolarHBondContact O-CB 3.4Å; V228-N232 VanDerWaalsContact O-CG 3.23Å; V228-N232 PolarHBondContact O-N 2.94Å; V228-N232 PolarHBondContact O-ND2 3.43Å |
| 229 | R | 98 | Very high | 95.7 | Very high | 220 Ų | 220 | 82 Ų | 82 | 83% | 0.83 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.4 | -46.9 | 179.8 | -66.8 | -178.1 | 179.5 | -176.9 | -0.1 | 111.7 | S227 N232 R233 | S227-R229 VanDerWaalsContact C-N 3.26Å; S227-R229 PolarHBondContact O-N 3.35Å; R229-N232 PolarHBondContact O-N 3.09Å; R229-R233 PolarHBondContact O-N 3.43Å |
| 230 | E | 96.9 | Very high | 95.8 | Very high | 79 Ų | 79 | 87.8 Ų | 87.8 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 178.6 | -179.2 | 175.4 | -157.3 | 0 | 0 | 111.9 | M226 S227 N232 R233 L234 | M226-E230 HydrophobicContact CB-CG 4.47Å; M226-E230 HydrophobicContact CG-CG 4.17Å; M226-E230 HydrophobicContact SD-CG 4.2Å; S227-E230 PolarHBondContact O-N 3.34Å; S227-E230 VanDerWaalsContact OG-CB 3.27Å; S227-E230 WeakPolarHBondContact OG-CB 2.9Å; S227-E230 PolarHBondContact OG-N 2.89Å; S227-E230 VanDerWaalsContact OG-N 3.09Å; E230-N232 PolarHBondContact O-N 3.29Å; E230-R233 WeakPolarHBondContact O-CB 3.32Å; E230-R233 PolarHBondContact O-N 3.09Å; E230-R233 VanDerWaalsContact O-N 3.15Å; E230-L234 HydrophobicContact CG-CD1 4.05Å; E230-L234 WeakPolarHBondContact O-CG 3.23Å; E230-L234 PolarHBondContact O-N 3.41Å; E230-L234 VanDerWaalsContact O-N 3.08Å |
| 231 | L | 95.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 90.8 Ų | 90.8 | 3% | 0.031 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 174.3 | 177.5 | 63.2 | 0 | 0 | 0 | 110.5 | L223 M226 S227 R233 L234 L235 R250 | L223-L231 HydrophobicContact CD1-CD1 3.85Å; M226-L231 HydrophobicContact CE-CD1 3.96Å; S227-L231 WeakPolarHBondContact O-CB 3.47Å; S227-L231 PolarHBondContact O-N 3.13Å; L231-R233 PolarHBondContact O-N 3.25Å; L231-L234 PolarHBondContact O-N 3.42Å; L231-L235 HydrophobicContact CD1-CD1 4.07Å; L231-L235 HydrophobicContact CD1-CD2 4.17Å; L231-L235 HydrophobicContact CD1-CG 3.93Å; L231-L235 HydrophobicContact CD2-CD1 4.31Å; L231-L235 HydrophobicContact CG-CD1 3.76Å; L231-L235 HydrophobicContact CG-CG 4.07Å; L231-L235 WeakPolarHBondContact O-CG 3.42Å; L231-L235 PolarHBondContact O-N 3.41Å; L231-R250 VanDerWaalsContact CD2-CD 3.48Å |
| 232 | N | 96.4 | Very high | 95.7 | Very high | 73 Ų | 73 | 85.9 Ų | 85.9 | 39% | 0.39 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.9 | -29.1 | 179.8 | -75.8 | -26.5 | 0 | 0 | 0 | 113.3 | V228 R229 E230 | V228-N232 WeakPolarHBondContact O-CB 3.4Å; V228-N232 VanDerWaalsContact O-CG 3.23Å; V228-N232 PolarHBondContact O-N 2.94Å; V228-N232 PolarHBondContact O-ND2 3.43Å; R229-N232 PolarHBondContact O-N 3.09Å; E230-N232 PolarHBondContact O-N 3.29Å |
| 233 | R | 95.9 | Very high | 95.6 | Very high | 166 Ų | 166 | 82.4 Ų | 82.4 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.4 | -46.4 | 172.3 | -178.5 | 178.3 | 69.1 | -175.3 | 0.5 | 110.9 | R229 E230 L231 L235 R236 | R229-R233 PolarHBondContact O-N 3.43Å; E230-R233 WeakPolarHBondContact O-CB 3.32Å; E230-R233 PolarHBondContact O-N 3.09Å; E230-R233 VanDerWaalsContact O-N 3.15Å; L231-R233 PolarHBondContact O-N 3.25Å; R233-L235 VanDerWaalsContact C-N 3.3Å; R233-L235 PolarHBondContact O-N 3.38Å; R233-R236 WeakPolarHBondContact O-CB 3.24Å; R233-R236 WeakPolarHBondContact O-CG 3.38Å; R233-R236 PolarHBondContact O-N 3.1Å |
| 234 | L | 92.2 | Very high | 95.5 | Very high | 68 Ų | 68 | 86.6 Ų | 86.6 | 36% | 0.356 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.4 | -21.7 | -178.1 | -68 | 164.9 | 0 | 0 | 0 | 113.3 | F218 M226 E230 L231 R236 | F218-L234 HydrophobicContact CE1-CB 4.36Å; F218-L234 HydrophobicContact CE1-CD1 3.75Å; F218-L234 HydrophobicContact CE1-CG 4.44Å; F218-L234 HydrophobicContact CZ-CB 3.83Å; F218-L234 HydrophobicContact CZ-CD1 4.09Å; F218-L234 HydrophobicContact CZ-CG 4.36Å; M226-L234 HydrophobicContact SD-CD1 3.37Å; M226-L234 WeakPolarHBondContact SD-CD1 3.21Å; E230-L234 HydrophobicContact CG-CD1 4.05Å; E230-L234 WeakPolarHBondContact O-CG 3.23Å; E230-L234 PolarHBondContact O-N 3.41Å; E230-L234 VanDerWaalsContact O-N 3.08Å; L231-L234 PolarHBondContact O-N 3.42Å; L234-R236 VanDerWaalsContact C-N 3.29Å |
| 235 | L | 94.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 87.2 Ų | 87.2 | 7% | 0.068 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -8.5 | 173.6 | -68.7 | 177.5 | 0 | 0 | 0 | 113.6 | L231 R233 L238 V243 L246 K247 | L231-L235 HydrophobicContact CD1-CD1 4.07Å; L231-L235 HydrophobicContact CD1-CD2 4.17Å; L231-L235 HydrophobicContact CD1-CG 3.93Å; L231-L235 HydrophobicContact CD2-CD1 4.31Å; L231-L235 HydrophobicContact CG-CD1 3.76Å; L231-L235 HydrophobicContact CG-CG 4.07Å; L231-L235 WeakPolarHBondContact O-CG 3.42Å; L231-L235 PolarHBondContact O-N 3.41Å; R233-L235 VanDerWaalsContact C-N 3.3Å; R233-L235 PolarHBondContact O-N 3.38Å; L235-L238 HydrophobicContact CD2-CD1 3.85Å; L235-L238 PolarHBondContact O-N 2.6Å; L235-V243 HydrophobicContact CB-CG2 4.27Å; L235-V243 HydrophobicContact CD1-CG1 4.27Å; L235-V243 HydrophobicContact CD2-CG2 4.42Å; L235-L246 HydrophobicContact CD2-CB 4.07Å; L235-L246 HydrophobicContact CD2-CD1 3.83Å; L235-L246 HydrophobicContact CD2-CG 4.45Å; L235-K247 HydrophobicContact CD1-CG 4.43Å |
| 236 | R | 94.3 | Very high | 95.3 | Very high | 209 Ų | 209 | 83.1 Ų | 83.1 | 79% | 0.789 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 134.4 | 177.7 | -68.3 | -176.8 | 175.7 | -127.7 | 0.7 | 110.1 | R233 L234 L238 | R233-R236 WeakPolarHBondContact O-CB 3.24Å; R233-R236 WeakPolarHBondContact O-CG 3.38Å; R233-R236 PolarHBondContact O-N 3.1Å; L234-R236 VanDerWaalsContact C-N 3.29Å; R236-L238 VanDerWaalsContact C-N 3.29Å |
| 237 | G | 90.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 87.4 Ų | 87.4 | 90% | 0.897 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -4.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 238 | L | 92.4 | Very high | 95.3 | Very high | 55 Ų | 55 | 90.4 Ų | 90.4 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -81.4 | 155.2 | 170 | -60.7 | -175.6 | 0 | 0 | 0 | 111.4 | L235 R236 E242 V243 L246 | L235-L238 HydrophobicContact CD2-CD1 3.85Å; L235-L238 PolarHBondContact O-N 2.6Å; R236-L238 VanDerWaalsContact C-N 3.29Å; L238-E242 HydrophobicContact CB-CB 4.32Å; L238-V243 HydrophobicContact CB-CG2 3.98Å; L238-L246 HydrophobicContact CD1-CD1 3.86Å |
| 239 | S | 95.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 88 Ų | 88 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | trans | -67 | 155.1 | 174.1 | 69 | 0 | 0 | 0 | 0 | 111.4 | E241 E242 V243 | S239-E241 PolarHBondContact O-N 2.99Å; S239-E242 WeakPolarHBondContact CB-OE2 3.45Å; S239-E242 PolarHBondContact N-OE2 2.96Å; S239-E242 PolarHBondContact O-N 3Å; S239-E242 VanDerWaalsContact OG-CD 3.25Å; S239-E242 VanDerWaalsContact OG-CG 3.24Å; S239-E242 WeakPolarHBondContact OG-CG 3.29Å; S239-E242 PolarHBondContact OG-N 3.5Å; S239-E242 PolarHBondContact OG-OE2 3.09Å; S239-V243 WeakPolarHBondContact O-CG2 3.26Å; S239-V243 PolarHBondContact O-N 3.49Å | ||
| 240 | K | 96.1 | Very high | 95.2 | Very high | 171 Ų | 171 | 78.8 Ų | 78.8 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -53.9 | -40.9 | 178 | -176.7 | -178.3 | 176.3 | -175 | 0 | 111.9 | V243 M244 | K240-V243 PolarHBondContact O-N 3.38Å; K240-M244 WeakPolarHBondContact O-CG 3.37Å; K240-M244 PolarHBondContact O-N 3.3Å |
| 241 | E | 95.8 | Very high | 95.3 | Very high | 129 Ų | 129 | 81.5 Ų | 81.5 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.2 | -45.6 | -179.7 | -169.8 | 59.4 | -155.5 | 0 | 0 | 111.9 | S239 V243 M244 R245 | S239-E241 PolarHBondContact O-N 2.99Å; E241-V243 VanDerWaalsContact C-N 3.35Å; E241-V243 PolarHBondContact O-N 3.45Å; E241-M244 PolarHBondContact O-N 3.03Å; E241-M244 WeakPolarHBondContact OE2-CE 3.48Å; E241-R245 WeakPolarHBondContact O-CB 3.11Å; E241-R245 PolarHBondContact O-N 3.47Å |
| 242 | E | 93.6 | Very high | 95.4 | Very high | 50 Ų | 50 | 84.6 Ų | 84.6 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 177.1 | -70 | 166.7 | 130.1 | 0 | 0 | 111.9 | A214 L238 S239 M244 R245 L246 | A214-E242 HydrophobicContact CB-CB 4.25Å; A214-E242 HydrophobicContact CB-CG 4.09Å; L238-E242 HydrophobicContact CB-CB 4.32Å; S239-E242 WeakPolarHBondContact CB-OE2 3.45Å; S239-E242 PolarHBondContact N-OE2 2.96Å; S239-E242 PolarHBondContact O-N 3Å; S239-E242 VanDerWaalsContact OG-CD 3.25Å; S239-E242 VanDerWaalsContact OG-CG 3.24Å; S239-E242 WeakPolarHBondContact OG-CG 3.29Å; S239-E242 PolarHBondContact OG-N 3.5Å; S239-E242 PolarHBondContact OG-OE2 3.09Å; E242-M244 PolarHBondContact O-N 3.37Å; E242-R245 PolarHBondContact O-N 2.91Å; E242-L246 WeakPolarHBondContact O-CB 3.38Å; E242-L246 PolarHBondContact O-N 3.2Å |
| 243 | V | 94.6 | Very high | 95.5 | Very high | 30 Ų | 30 | 82.1 Ų | 82.1 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L235 L238 S239 K240 E241 K247 | L235-V243 HydrophobicContact CB-CG2 4.27Å; L235-V243 HydrophobicContact CD1-CG1 4.27Å; L235-V243 HydrophobicContact CD2-CG2 4.42Å; L238-V243 HydrophobicContact CB-CG2 3.98Å; S239-V243 WeakPolarHBondContact O-CG2 3.26Å; S239-V243 PolarHBondContact O-N 3.49Å; K240-V243 PolarHBondContact O-N 3.38Å; E241-V243 VanDerWaalsContact C-N 3.35Å; E241-V243 PolarHBondContact O-N 3.45Å; V243-K247 HydrophobicContact CG1-CD 4.14Å; V243-K247 WeakPolarHBondContact O-CB 3.39Å; V243-K247 WeakPolarHBondContact O-CG 3.49Å; V243-K247 PolarHBondContact O-N 3.24Å |
| 244 | M | 96.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 77.7 Ų | 77.7 | 45% | 0.448 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.5 | -70.8 | -168.8 | -47.3 | 0 | 0 | 111.1 | K240 E241 E242 L246 K247 Q248 | K240-M244 WeakPolarHBondContact O-CG 3.37Å; K240-M244 PolarHBondContact O-N 3.3Å; E241-M244 PolarHBondContact O-N 3.03Å; E241-M244 WeakPolarHBondContact OE2-CE 3.48Å; E242-M244 PolarHBondContact O-N 3.37Å; M244-L246 PolarHBondContact O-N 2.96Å; M244-K247 PolarHBondContact O-N 3.5Å; M244-Q248 WeakPolarHBondContact O-CB 3.27Å; M244-Q248 PolarHBondContact O-N 3.45Å |
| 245 | R | 95.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 77.7 Ų | 77.7 | 25% | 0.245 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 179.3 | -161.1 | -167.5 | 61.1 | 62.7 | -3.7 | 112.1 | S212 E215 E241 E242 Q248 K249 | S212-R245 PolarHBondContact OG-NE 3.23Å; S212-R245 VanDerWaalsContact OG-NE 3.15Å; S212-R245 PolarHBondContact OG-NH2 2.86Å; E215-R245 VanDerWaalsContact CD-CZ 3.43Å; E215-R245 IonicContact OE1-CZ 3.58Å; E215-R245 IonicContact OE1-NH1 2.76Å; E215-R245 PolarHBondContact OE1-NH1 3.35Å; E215-R245 IonicContact OE1-NH2 3.72Å; E215-R245 IonicContact OE2-CZ 2.96Å; E215-R245 IonicContact OE2-NE 3.65Å; E215-R245 IonicContact OE2-NH1 2.74Å; E215-R245 PolarHBondContact OE2-NH1 2.94Å; E215-R245 IonicContact OE2-NH2 3.26Å; E215-R245 PolarHBondContact OE2-NH2 2.91Å; E241-R245 WeakPolarHBondContact O-CB 3.11Å; E241-R245 PolarHBondContact O-N 3.47Å; E242-R245 PolarHBondContact O-N 2.91Å; R245-Q248 PolarHBondContact O-N 3.23Å; R245-K249 VanDerWaalsContact O-CB 3.3Å; R245-K249 WeakPolarHBondContact O-CB 3.41Å; R245-K249 PolarHBondContact O-N 2.72Å |
| 246 | L | 95.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 84.2 Ų | 84.2 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 177.5 | -93 | 146.7 | 0 | 0 | 0 | 112.5 | A214 F218 L223 L235 L238 E242 M244 K249 R250 | A214-L246 HydrophobicContact CB-CD1 4.2Å; F218-L246 HydrophobicContact CD2-CD2 3.91Å; F218-L246 HydrophobicContact CE2-CD2 4.46Å; L223-L246 HydrophobicContact CD1-CD2 3.77Å; L223-L246 HydrophobicContact CD2-CD2 4.09Å; L235-L246 HydrophobicContact CD2-CB 4.07Å; L235-L246 HydrophobicContact CD2-CD1 3.83Å; L235-L246 HydrophobicContact CD2-CG 4.45Å; L238-L246 HydrophobicContact CD1-CD1 3.86Å; E242-L246 WeakPolarHBondContact O-CB 3.38Å; E242-L246 PolarHBondContact O-N 3.2Å; M244-L246 PolarHBondContact O-N 2.96Å; L246-K249 PolarHBondContact O-N 3.45Å; L246-R250 WeakPolarHBondContact O-CB 3.44Å; L246-R250 PolarHBondContact O-N 3.49Å |
| 247 | K | 96.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 75.6 Ų | 75.6 | 45% | 0.452 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 175.8 | -76.4 | -179.7 | 174.9 | -178.9 | 0 | 111.8 | L235 V243 M244 R250 R251 | L235-K247 HydrophobicContact CD1-CG 4.43Å; V243-K247 HydrophobicContact CG1-CD 4.14Å; V243-K247 WeakPolarHBondContact O-CB 3.39Å; V243-K247 WeakPolarHBondContact O-CG 3.49Å; V243-K247 PolarHBondContact O-N 3.24Å; M244-K247 PolarHBondContact O-N 3.5Å; K247-R250 PolarHBondContact O-N 3.03Å; K247-R251 PolarHBondContact O-N 3.14Å |
| 248 | Q | 97.6 | Very high | 96.7 | Very high | 124 Ų | 124 | 77.1 Ų | 77.1 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 177.2 | -176.5 | 60.7 | 16.2 | 0 | 0 | 111.4 | M244 R245 R251 T252 | M244-Q248 WeakPolarHBondContact O-CB 3.27Å; M244-Q248 PolarHBondContact O-N 3.45Å; R245-Q248 PolarHBondContact O-N 3.23Å; Q248-R251 PolarHBondContact O-N 3.35Å; Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 3.39Å; Q248-T252 PolarHBondContact O-OG1 3.02Å |
| 249 | K | 96.7 | Very high | 97 | Very high | 45 Ų | 45 | 76.5 Ų | 76.5 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 173.8 | -177 | 175.6 | -177.2 | -174.5 | 0 | 111 | E215 D220 L223 R245 L246 R251 T252 L253 | E215-K249 WeakPolarHBondContact OE1-CD 3.32Å; E215-K249 WeakPolarHBondContact OE1-CE 3.25Å; E215-K249 IonicContact OE1-NZ 3.73Å; E215-K249 PolarHBondContact OE1-NZ 2.89Å; D220-K249 WeakPolarHBondContact OD1-CE 3.47Å; D220-K249 IonicContact OD1-NZ 2.66Å; D220-K249 PolarHBondContact OD1-NZ 3.42Å; L223-K249 HydrophobicContact CD2-CB 4.16Å; L223-K249 HydrophobicContact CD2-CD 3.88Å; L223-K249 HydrophobicContact CD2-CG 3.85Å; R245-K249 VanDerWaalsContact O-CB 3.3Å; R245-K249 WeakPolarHBondContact O-CB 3.41Å; R245-K249 PolarHBondContact O-N 2.72Å; L246-K249 PolarHBondContact O-N 3.45Å; K249-R251 VanDerWaalsContact C-N 3.33Å; K249-R251 PolarHBondContact O-N 3.07Å; K249-T252 PolarHBondContact O-N 3.33Å; K249-L253 HydrophobicContact CG-CD1 4.05Å; K249-L253 HydrophobicContact CG-CG 4.45Å; K249-L253 WeakPolarHBondContact O-CG 3.45Å; K249-L253 PolarHBondContact O-N 2.88Å |
| 250 | R | 97.8 | Very high | 97.2 | Very high | 27 Ų | 27 | 79.7 Ų | 79.7 | 10% | 0.102 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 176.8 | -176 | 172.1 | -179.3 | 176.9 | 5.8 | 112.2 | L223 V224 M226 L231 L246 K247 L253 K254 | L223-R250 HydrophobicContact CD1-CB 4.2Å; L223-R250 HydrophobicContact CD2-CB 4.18Å; L223-R250 HydrophobicContact CG-CB 3.91Å; L223-R250 HydrophobicContact CG-CG 4.28Å; L223-R250 VanDerWaalsContact O-CD 3.24Å; L223-R250 WeakPolarHBondContact O-CD 3.33Å; L223-R250 PolarHBondContact O-NE 3.35Å; L223-R250 VanDerWaalsContact O-NE 3.14Å; V224-R250 PolarHBondContact O-NH2 3.42Å; V224-R250 VanDerWaalsContact O-NH2 3.1Å; M226-R250 PolarHBondContact O-NH1 2.85Å; M226-R250 VanDerWaalsContact O-NH1 3.16Å; M226-R250 PolarHBondContact O-NH2 3.43Å; L231-R250 VanDerWaalsContact CD2-CD 3.48Å; L246-R250 WeakPolarHBondContact O-CB 3.44Å; L246-R250 PolarHBondContact O-N 3.49Å; K247-R250 PolarHBondContact O-N 3.03Å; R250-L253 PolarHBondContact O-N 3.16Å; R250-K254 HydrophobicContact CG-CD 4.45Å; R250-K254 WeakPolarHBondContact O-CG 3.45Å; R250-K254 PolarHBondContact O-N 3.19Å |
| 251 | R | 98.4 | Very high | 97.3 | Very high | 137 Ų | 137 | 74.6 Ų | 74.6 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 177.3 | 178.1 | 54.5 | 170.7 | 165.4 | -8.6 | 111.4 | K247 Q248 K249 K254 N255 | K247-R251 PolarHBondContact O-N 3.14Å; Q248-R251 PolarHBondContact O-N 3.35Å; K249-R251 VanDerWaalsContact C-N 3.33Å; K249-R251 PolarHBondContact O-N 3.07Å; R251-K254 PolarHBondContact O-N 2.89Å; R251-N255 PolarHBondContact NE-OD1 3.14Å; R251-N255 PolarHBondContact NH1-OD1 2.98Å; R251-N255 WeakPolarHBondContact O-CB 3.33Å; R251-N255 VanDerWaalsContact O-CG 3.29Å; R251-N255 PolarHBondContact O-N 3.24Å; R251-N255 PolarHBondContact O-OD1 3.42Å |
| 252 | T | 98.4 | Very high | 97.4 | Very high | 70 Ų | 70 | 71.5 Ų | 71.5 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 179.2 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | Q248 K249 N255 R256 | Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 3.39Å; Q248-T252 PolarHBondContact O-OG1 3.02Å; K249-T252 PolarHBondContact O-N 3.33Å; T252-N255 PolarHBondContact O-N 2.96Å; T252-R256 PolarHBondContact O-N 3.37Å |
| 253 | L | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 77.7 Ų | 77.7 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.1 | -68.8 | 172.3 | 0 | 0 | 0 | 112.5 | D220 L223 V224 K249 R250 N255 R256 G257 | D220-L253 HydrophobicContact CB-CD1 3.75Å; D220-L253 HydrophobicContact CB-CD2 4.25Å; L223-L253 HydrophobicContact CD2-CD1 4.24Å; V224-L253 HydrophobicContact CG2-CB 3.39Å; V224-L253 HydrophobicContact CG2-CD1 3.97Å; V224-L253 HydrophobicContact CG2-CG 4.31Å; K249-L253 HydrophobicContact CG-CD1 4.05Å; K249-L253 HydrophobicContact CG-CG 4.45Å; K249-L253 WeakPolarHBondContact O-CG 3.45Å; K249-L253 PolarHBondContact O-N 2.88Å; R250-L253 PolarHBondContact O-N 3.16Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.27Å; L253-R256 WeakPolarHBondContact O-CB 3.3Å; L253-R256 PolarHBondContact O-N 3.23Å; L253-G257 PolarHBondContact O-N 3.41Å; L253-G257 VanDerWaalsContact O-N 3.15Å |
| 254 | K | 98.4 | Very high | 97.9 | Very high | 73 Ų | 73 | 82.3 Ų | 82.3 | 32% | 0.317 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 174.3 | -74.7 | -172.3 | 71.2 | 174.8 | 0 | 112 | V224 R250 R251 R256 G257 Y258 | V224-K254 HydrophobicContact CG1-CG 4.03Å; R250-K254 HydrophobicContact CG-CD 4.45Å; R250-K254 WeakPolarHBondContact O-CG 3.45Å; R250-K254 PolarHBondContact O-N 3.19Å; R251-K254 PolarHBondContact O-N 2.89Å; K254-R256 VanDerWaalsContact C-N 3.29Å; K254-R256 PolarHBondContact O-N 2.9Å; K254-G257 PolarHBondContact O-N 3.45Å; K254-G257 VanDerWaalsContact O-N 3.14Å; K254-Y258 HydrophobicContact CB-CE2 3.99Å; K254-Y258 WeakPolarHBondContact CE-OH 3.35Å; K254-Y258 PolarHBondContact NZ-OH 2.85Å; K254-Y258 WeakPolarHBondContact O-CD2 3.32Å; K254-Y258 VanDerWaalsContact O-CG 3.32Å; K254-Y258 PolarHBondContact O-N 2.87Å |
| 255 | N | 98.6 | Very high | 98 | Very high | 67 Ų | 67 | 85 Ų | 85 | 36% | 0.358 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.6 | -35.3 | 176.9 | -75 | -1.3 | 0 | 0 | 0 | 112.4 | R251 T252 L253 G257 Y258 A259 | R251-N255 PolarHBondContact NE-OD1 3.14Å; R251-N255 PolarHBondContact NH1-OD1 2.98Å; R251-N255 WeakPolarHBondContact O-CB 3.33Å; R251-N255 VanDerWaalsContact O-CG 3.29Å; R251-N255 PolarHBondContact O-N 3.24Å; R251-N255 PolarHBondContact O-OD1 3.42Å; T252-N255 PolarHBondContact O-N 2.96Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.27Å; N255-G257 VanDerWaalsContact C-N 3.35Å; N255-Y258 PolarHBondContact O-N 2.95Å; N255-A259 PolarHBondContact O-N 3.13Å |
| 256 | R | 98.6 | Very high | 98.2 | Very high | 151 Ų | 151 | 90.2 Ų | 90.2 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.2 | -46.5 | 171.3 | -176.4 | -179.6 | -72.9 | 158.8 | -4.8 | 111.2 | T252 L253 K254 A259 Q260 | T252-R256 PolarHBondContact O-N 3.37Å; L253-R256 WeakPolarHBondContact O-CB 3.3Å; L253-R256 PolarHBondContact O-N 3.23Å; K254-R256 VanDerWaalsContact C-N 3.29Å; K254-R256 PolarHBondContact O-N 2.9Å; R256-A259 PolarHBondContact O-N 3.3Å; R256-Q260 PolarHBondContact O-N 3.25Å; R256-Q260 VanDerWaalsContact O-N 3.15Å |
| 257 | G | 98.4 | Very high | 98.4 | Very high | 27 Ų | 27 | 94.7 Ų | 94.7 | 28% | 0.278 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | L253 K254 N255 A259 Q260 S261 | L253-G257 PolarHBondContact O-N 3.41Å; L253-G257 VanDerWaalsContact O-N 3.15Å; K254-G257 PolarHBondContact O-N 3.45Å; K254-G257 VanDerWaalsContact O-N 3.14Å; N255-G257 VanDerWaalsContact C-N 3.35Å; G257-A259 VanDerWaalsContact C-N 3.33Å; G257-A259 PolarHBondContact O-N 2.98Å; G257-Q260 WeakPolarHBondContact O-CB 2.77Å; G257-Q260 PolarHBondContact O-N 2.57Å; G257-S261 PolarHBondContact O-N 3.07Å; G257-S261 PolarHBondContact O-OG 3.13Å |
| 258 | Y | 98.7 | Very high | 98.5 | Very high | 119 Ų | 119 | 94.6 Ų | 94.6 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 176.9 | -63.2 | -40.8 | 0 | 0 | 0 | 113 | K254 N255 S261 C262 | K254-Y258 HydrophobicContact CB-CE2 3.99Å; K254-Y258 WeakPolarHBondContact CE-OH 3.35Å; K254-Y258 PolarHBondContact NZ-OH 2.85Å; K254-Y258 WeakPolarHBondContact O-CD2 3.32Å; K254-Y258 VanDerWaalsContact O-CG 3.32Å; K254-Y258 PolarHBondContact O-N 2.87Å; N255-Y258 PolarHBondContact O-N 2.95Å; Y258-S261 PolarHBondContact O-N 3.31Å; Y258-C262 VanDerWaalsContact O-CB 3.23Å; Y258-C262 WeakPolarHBondContact O-CB 3.46Å; Y258-C262 PolarHBondContact O-N 2.69Å |
| 259 | A | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 94.5 Ų | 94.5 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N255 R256 G257 C262 R263 | N255-A259 PolarHBondContact O-N 3.13Å; R256-A259 PolarHBondContact O-N 3.3Å; G257-A259 VanDerWaalsContact C-N 3.33Å; G257-A259 PolarHBondContact O-N 2.98Å; A259-C262 PolarHBondContact O-N 3.13Å; A259-R263 VanDerWaalsContact O-CG 3.29Å; A259-R263 WeakPolarHBondContact O-CG 3.31Å; A259-R263 PolarHBondContact O-N 3.47Å |
| 260 | Q | 98.6 | Very high | 98.6 | Very high | 125 Ų | 125 | 98.3 Ų | 98.3 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.7 | -50.3 | 174.3 | -70.6 | 176.2 | -18.2 | 0 | 0 | 111.4 | R256 G257 C262 R263 F264 | R256-Q260 PolarHBondContact O-N 3.25Å; R256-Q260 VanDerWaalsContact O-N 3.15Å; G257-Q260 WeakPolarHBondContact O-CB 2.77Å; G257-Q260 PolarHBondContact O-N 2.57Å; Q260-C262 VanDerWaalsContact C-N 3.29Å; Q260-C262 PolarHBondContact O-N 3.34Å; Q260-R263 PolarHBondContact O-N 2.95Å; Q260-F264 PolarHBondContact O-N 2.88Å |
| 261 | S | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 103 Ų | 103 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 178.1 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | G257 Y258 F264 K265 | G257-S261 PolarHBondContact O-N 3.07Å; G257-S261 PolarHBondContact O-OG 3.13Å; Y258-S261 PolarHBondContact O-N 3.31Å; S261-F264 PolarHBondContact O-N 3.47Å; S261-K265 WeakPolarHBondContact O-CB 3.34Å; S261-K265 WeakPolarHBondContact O-CG 3.5Å; S261-K265 PolarHBondContact O-N 2.81Å |
| 262 | C | 98.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 100.2 Ų | 100.2 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | Y258 A259 Q260 K265 R266 | Y258-C262 VanDerWaalsContact O-CB 3.23Å; Y258-C262 WeakPolarHBondContact O-CB 3.46Å; Y258-C262 PolarHBondContact O-N 2.69Å; A259-C262 PolarHBondContact O-N 3.13Å; Q260-C262 VanDerWaalsContact C-N 3.29Å; Q260-C262 PolarHBondContact O-N 3.34Å; C262-K265 PolarHBondContact O-N 3.5Å; C262-R266 WeakPolarHBondContact O-CB 3.25Å; C262-R266 PolarHBondContact O-N 2.9Å |
| 263 | R | 98.9 | Very high | 98.7 | Very high | 179 Ų | 179 | 101.3 Ų | 101.3 | 68% | 0.675 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.1 | -47.1 | 175.8 | -69.4 | 169.8 | -175.1 | 179.3 | 0.4 | 111.1 | A259 Q260 K265 R266 V267 | A259-R263 VanDerWaalsContact O-CG 3.29Å; A259-R263 WeakPolarHBondContact O-CG 3.31Å; A259-R263 PolarHBondContact O-N 3.47Å; Q260-R263 PolarHBondContact O-N 2.95Å; R263-K265 PolarHBondContact O-N 3.47Å; R263-R266 PolarHBondContact O-N 3.42Å; R263-V267 WeakPolarHBondContact O-CG2 3.46Å; R263-V267 PolarHBondContact O-N 3.2Å |
| 264 | F | 98.8 | Very high | 98.8 | Very high | 127 Ų | 127 | 104.7 Ų | 104.7 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.4 | -51.7 | 178.2 | 177.9 | -95.4 | 0 | 0 | 0 | 112 | Q260 S261 R266 V267 Q268 | Q260-F264 PolarHBondContact O-N 2.88Å; S261-F264 PolarHBondContact O-N 3.47Å; F264-R266 VanDerWaalsContact C-N 3.32Å; F264-R266 PolarHBondContact O-N 3.35Å; F264-V267 PolarHBondContact O-N 3.02Å; F264-Q268 HydrophobicContact CE1-CG 4Å; F264-Q268 HydrophobicContact CE2-CG 4.39Å; F264-Q268 HydrophobicContact CZ-CG 3.88Å; F264-Q268 PolarHBondContact O-N 2.93Å |
| 265 | K | 98.9 | Very high | 98.8 | Very high | 149 Ų | 149 | 107.2 Ų | 107.2 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | 179.2 | -74.8 | -177.8 | 178.9 | -171.2 | 0 | 112.3 | S261 C262 R263 Q268 Q269 | S261-K265 WeakPolarHBondContact O-CB 3.34Å; S261-K265 WeakPolarHBondContact O-CG 3.5Å; S261-K265 PolarHBondContact O-N 2.81Å; C262-K265 PolarHBondContact O-N 3.5Å; R263-K265 PolarHBondContact O-N 3.47Å; K265-Q268 PolarHBondContact O-N 3.4Å; K265-Q269 WeakPolarHBondContact O-CB 3.47Å; K265-Q269 PolarHBondContact O-N 3.26Å |
| 266 | R | 98.9 | Very high | 98.8 | Very high | 173 Ų | 173 | 108.7 Ų | 108.7 | 65% | 0.653 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 177.6 | -174 | -177 | -63.2 | 176 | -1.2 | 111.7 | C262 R263 F264 Q269 K270 | C262-R266 WeakPolarHBondContact O-CB 3.25Å; C262-R266 PolarHBondContact O-N 2.9Å; R263-R266 PolarHBondContact O-N 3.42Å; F264-R266 VanDerWaalsContact C-N 3.32Å; F264-R266 PolarHBondContact O-N 3.35Å; R266-Q269 PolarHBondContact O-N 3.23Å; R266-K270 WeakPolarHBondContact O-CB 3.49Å; R266-K270 PolarHBondContact O-N 2.79Å |
| 267 | V | 98.9 | Very high | 98.8 | Very high | 98 Ų | 98 | 108.5 Ų | 108.5 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -42.8 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | R263 F264 K270 H271 | R263-V267 WeakPolarHBondContact O-CG2 3.46Å; R263-V267 PolarHBondContact O-N 3.2Å; F264-V267 PolarHBondContact O-N 3.02Å; V267-K270 WeakPolarHBondContact O-CB 3.49Å; V267-K270 PolarHBondContact O-N 3.27Å; V267-H271 PolarHBondContact O-N 3.27Å |
| 268 | Q | 98.9 | Very high | 98.8 | Very high | 103 Ų | 103 | 111.4 Ų | 111.4 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 174.6 | -99.2 | -141.4 | -12.1 | 0 | 0 | 112.4 | F264 K265 K270 H271 I272 | F264-Q268 HydrophobicContact CE1-CG 4Å; F264-Q268 HydrophobicContact CE2-CG 4.39Å; F264-Q268 HydrophobicContact CZ-CG 3.88Å; F264-Q268 PolarHBondContact O-N 2.93Å; K265-Q268 PolarHBondContact O-N 3.4Å; Q268-K270 VanDerWaalsContact C-N 3.28Å; Q268-K270 PolarHBondContact O-N 3.48Å; Q268-H271 PolarHBondContact O-N 3.39Å; Q268-H271 VanDerWaalsContact O-N 3.14Å; Q268-I272 VanDerWaalsContact O-CG1 3.31Å; Q268-I272 WeakPolarHBondContact O-CG1 3.45Å; Q268-I272 PolarHBondContact O-N 3.35Å |
| 269 | Q | 98.8 | Very high | 98.8 | Very high | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 178.3 | -174.5 | 175.9 | 10.8 | 0 | 0 | 111.3 | K265 R266 I272 L273 | K265-Q269 WeakPolarHBondContact O-CB 3.47Å; K265-Q269 PolarHBondContact O-N 3.26Å; R266-Q269 PolarHBondContact O-N 3.23Å; Q269-I272 PolarHBondContact O-N 3.33Å; Q269-L273 HydrophobicContact CG-CD1 4.23Å; Q269-L273 WeakPolarHBondContact O-CG 3.48Å; Q269-L273 PolarHBondContact O-N 2.93Å |
| 270 | K | 98.8 | Very high | 98.8 | Very high | 124 Ų | 124 | 111 Ų | 111 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.1 | -50.3 | 172.7 | 178 | -175.2 | 166.1 | -176.9 | 0 | 111.1 | R266 V267 Q268 I272 L273 E274 | R266-K270 WeakPolarHBondContact O-CB 3.49Å; R266-K270 PolarHBondContact O-N 2.79Å; V267-K270 WeakPolarHBondContact O-CB 3.49Å; V267-K270 PolarHBondContact O-N 3.27Å; Q268-K270 VanDerWaalsContact C-N 3.28Å; Q268-K270 PolarHBondContact O-N 3.48Å; K270-I272 VanDerWaalsContact C-N 3.34Å; K270-I272 PolarHBondContact O-N 2.9Å; K270-L273 PolarHBondContact O-N 3.45Å; K270-E274 VanDerWaalsContact CE-CD 3.46Å; K270-E274 WeakPolarHBondContact CE-OE1 3.27Å; K270-E274 HydrophobicContact CG-CG 4.4Å; K270-E274 IonicContact NZ-OE1 2.79Å; K270-E274 WeakPolarHBondContact O-CB 3.43Å; K270-E274 WeakPolarHBondContact O-CG 3.35Å; K270-E274 PolarHBondContact O-N 3.28Å |
| 271 | H | 98.9 | Very high | 98.8 | Very high | 125 Ų | 125 | 108.2 Ų | 108.2 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -40.7 | 179.8 | -178.5 | -97 | 0 | 0 | 0 | 112.6 | V267 Q268 E274 H275 | V267-H271 PolarHBondContact O-N 3.27Å; Q268-H271 PolarHBondContact O-N 3.39Å; Q268-H271 VanDerWaalsContact O-N 3.14Å; H271-E274 PolarHBondContact O-N 2.96Å; H271-H275 WeakPolarHBondContact O-CB 3.48Å; H271-H275 PolarHBondContact O-N 3.4Å |
| 272 | I | 98.8 | Very high | 98.9 | Very high | 80 Ų | 80 | 108.1 Ų | 108.1 | 41% | 0.41 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.3 | -50 | 175.5 | -68.9 | 163.6 | 0 | 0 | 0 | 110.3 | Q268 Q269 K270 E274 H275 E276 | Q268-I272 VanDerWaalsContact O-CG1 3.31Å; Q268-I272 WeakPolarHBondContact O-CG1 3.45Å; Q268-I272 PolarHBondContact O-N 3.35Å; Q269-I272 PolarHBondContact O-N 3.33Å; K270-I272 VanDerWaalsContact C-N 3.34Å; K270-I272 PolarHBondContact O-N 2.9Å; I272-E274 VanDerWaalsContact C-N 3.33Å; I272-E274 PolarHBondContact O-N 3.11Å; I272-H275 WeakPolarHBondContact O-CB 3.29Å; I272-H275 PolarHBondContact O-N 3.3Å; I272-E276 WeakPolarHBondContact O-CG 3.44Å; I272-E276 PolarHBondContact O-N 3.06Å |
| 273 | L | 98.9 | Very high | 98.8 | Very high | 93 Ų | 93 | 109.2 Ų | 109.2 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 179.4 | -67.6 | 172.3 | 0 | 0 | 0 | 112.4 | Q269 K270 E276 K277 | Q269-L273 HydrophobicContact CG-CD1 4.23Å; Q269-L273 WeakPolarHBondContact O-CG 3.48Å; Q269-L273 PolarHBondContact O-N 2.93Å; K270-L273 PolarHBondContact O-N 3.45Å; L273-E276 PolarHBondContact O-N 3.41Å; L273-K277 VanDerWaalsContact O-CB 3.29Å; L273-K277 WeakPolarHBondContact O-CB 3.48Å; L273-K277 PolarHBondContact O-N 3.07Å |
| 274 | E | 98.9 | Very high | 98.8 | Very high | 92 Ų | 92 | 104.3 Ų | 104.3 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 174.8 | -75.5 | 174 | 156.7 | 0 | 0 | 112 | K270 H271 I272 T278 | K270-E274 VanDerWaalsContact CE-CD 3.46Å; K270-E274 WeakPolarHBondContact CE-OE1 3.27Å; K270-E274 HydrophobicContact CG-CG 4.4Å; K270-E274 IonicContact NZ-OE1 2.79Å; K270-E274 WeakPolarHBondContact O-CB 3.43Å; K270-E274 WeakPolarHBondContact O-CG 3.35Å; K270-E274 PolarHBondContact O-N 3.28Å; H271-E274 PolarHBondContact O-N 2.96Å; I272-E274 VanDerWaalsContact C-N 3.33Å; I272-E274 PolarHBondContact O-N 3.11Å; E274-T278 WeakPolarHBondContact O-CB 3.43Å; E274-T278 PolarHBondContact O-N 3.43Å; E274-T278 PolarHBondContact O-OG1 2.94Å |
| 275 | H | 98.9 | Very high | 98.8 | Very high | 126 Ų | 126 | 103 Ų | 103 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -47.2 | 173.8 | 176.9 | -87.7 | 0 | 0 | 0 | 111.6 | H271 I272 K277 T278 S279 | H271-H275 WeakPolarHBondContact O-CB 3.48Å; H271-H275 PolarHBondContact O-N 3.4Å; I272-H275 WeakPolarHBondContact O-CB 3.29Å; I272-H275 PolarHBondContact O-N 3.3Å; H275-K277 PolarHBondContact O-N 3.09Å; H275-T278 PolarHBondContact O-N 3.43Å; H275-S279 WeakPolarHBondContact O-CB 3.37Å; H275-S279 PolarHBondContact O-N 3.5Å |
| 276 | E | 98.8 | Very high | 98.8 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59 | -46 | 176.1 | -74.7 | 176.3 | -174.2 | 0 | 0 | 111.8 | I272 L273 T278 S279 L280 | I272-E276 WeakPolarHBondContact O-CG 3.44Å; I272-E276 PolarHBondContact O-N 3.06Å; L273-E276 PolarHBondContact O-N 3.41Å; E276-T278 VanDerWaalsContact C-N 3.32Å; E276-T278 PolarHBondContact O-N 3.03Å; E276-S279 PolarHBondContact O-N 2.87Å; E276-L280 WeakPolarHBondContact O-CB 3.37Å; E276-L280 WeakPolarHBondContact O-CG 3.47Å; E276-L280 PolarHBondContact O-N 3.49Å |
| 277 | K | 98.8 | Very high | 98.8 | Very high | 147 Ų | 147 | 99.1 Ų | 99.1 | 64% | 0.639 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -54.4 | -50.3 | 174.3 | 176.7 | -172.4 | 173.6 | -176.3 | 0 | 110.7 | L273 H275 S279 L280 V281 | L273-K277 VanDerWaalsContact O-CB 3.29Å; L273-K277 WeakPolarHBondContact O-CB 3.48Å; L273-K277 PolarHBondContact O-N 3.07Å; H275-K277 PolarHBondContact O-N 3.09Å; K277-S279 PolarHBondContact O-N 2.95Å; K277-L280 PolarHBondContact O-N 3.39Å; K277-V281 VanDerWaalsContact O-CG2 3.27Å; K277-V281 WeakPolarHBondContact O-CG2 3.48Å; K277-V281 PolarHBondContact O-N 3.21Å |
| 278 | T | 98.8 | Very high | 98.8 | Very high | 88 Ų | 88 | 100.7 Ų | 100.7 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | -178.2 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | E274 H275 E276 L280 V281 T282 | E274-T278 WeakPolarHBondContact O-CB 3.43Å; E274-T278 PolarHBondContact O-N 3.43Å; E274-T278 PolarHBondContact O-OG1 2.94Å; H275-T278 PolarHBondContact O-N 3.43Å; E276-T278 VanDerWaalsContact C-N 3.32Å; E276-T278 PolarHBondContact O-N 3.03Å; T278-L280 PolarHBondContact O-N 3.42Å; T278-V281 PolarHBondContact O-N 2.71Å; T278-T282 PolarHBondContact O-N 3.4Å; T278-T282 PolarHBondContact O-OG1 3.38Å; T278-T282 VanDerWaalsContact O-OG1 3.11Å |
| 279 | S | 98.9 | Very high | 98.8 | Very high | 51 Ų | 51 | 102.1 Ų | 102.1 | 36% | 0.357 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | H275 E276 K277 T282 Q283 | H275-S279 WeakPolarHBondContact O-CB 3.37Å; H275-S279 PolarHBondContact O-N 3.5Å; E276-S279 PolarHBondContact O-N 2.87Å; K277-S279 PolarHBondContact O-N 2.95Å; S279-T282 PolarHBondContact O-N 2.85Å; S279-Q283 WeakPolarHBondContact O-CG 3.3Å; S279-Q283 PolarHBondContact O-N 3.24Å; S279-Q283 PolarHBondContact O-NE2 3.29Å; S279-Q283 PolarHBondContact OG-NE2 3.34Å |
| 280 | L | 98.9 | Very high | 98.8 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 178.6 | -72.8 | 171.9 | 0 | 0 | 0 | 112.2 | E276 K277 T278 T282 Q283 V284 | E276-L280 WeakPolarHBondContact O-CB 3.37Å; E276-L280 WeakPolarHBondContact O-CG 3.47Å; E276-L280 PolarHBondContact O-N 3.49Å; K277-L280 PolarHBondContact O-N 3.39Å; T278-L280 PolarHBondContact O-N 3.42Å; L280-T282 VanDerWaalsContact C-N 3.34Å; L280-T282 PolarHBondContact O-N 2.79Å; L280-Q283 PolarHBondContact O-N 3.15Å; L280-V284 WeakPolarHBondContact O-CG2 3.47Å; L280-V284 PolarHBondContact O-N 3.03Å |
| 281 | V | 98.8 | Very high | 98.8 | Very high | 67 Ų | 67 | 100 Ų | 100 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -48 | 174.5 | 168 | 0 | 0 | 0 | 0 | 110.3 | K277 T278 Q283 V284 E285 | K277-V281 VanDerWaalsContact O-CG2 3.27Å; K277-V281 WeakPolarHBondContact O-CG2 3.48Å; K277-V281 PolarHBondContact O-N 3.21Å; T278-V281 PolarHBondContact O-N 2.71Å; V281-Q283 VanDerWaalsContact C-N 3.35Å; V281-Q283 PolarHBondContact O-N 2.92Å; V281-V284 PolarHBondContact O-N 3.41Å; V281-E285 WeakPolarHBondContact CG1-OE1 3.49Å; V281-E285 WeakPolarHBondContact O-CG 3.48Å; V281-E285 PolarHBondContact O-N 2.9Å |
| 282 | T | 98.8 | Very high | 98.8 | Very high | 61 Ų | 61 | 97.2 Ų | 97.2 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | T278 S279 L280 V284 E285 Q286 | T278-T282 PolarHBondContact O-N 3.4Å; T278-T282 PolarHBondContact O-OG1 3.38Å; T278-T282 VanDerWaalsContact O-OG1 3.11Å; S279-T282 PolarHBondContact O-N 2.85Å; L280-T282 VanDerWaalsContact C-N 3.34Å; L280-T282 PolarHBondContact O-N 2.79Å; T282-V284 PolarHBondContact O-N 2.87Å; T282-E285 PolarHBondContact O-N 3.15Å; T282-Q286 VanDerWaalsContact O-CG 3.3Å; T282-Q286 WeakPolarHBondContact O-CG 3.36Å; T282-Q286 PolarHBondContact O-N 3.4Å |
| 283 | Q | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 97.9 Ų | 97.9 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.4 | -73.4 | 174.2 | 66.1 | 0 | 0 | 112.1 | S279 L280 V281 E285 Q286 L287 | S279-Q283 WeakPolarHBondContact O-CG 3.3Å; S279-Q283 PolarHBondContact O-N 3.24Å; S279-Q283 PolarHBondContact O-NE2 3.29Å; S279-Q283 PolarHBondContact OG-NE2 3.34Å; L280-Q283 PolarHBondContact O-N 3.15Å; V281-Q283 VanDerWaalsContact C-N 3.35Å; V281-Q283 PolarHBondContact O-N 2.92Å; Q283-E285 VanDerWaalsContact C-N 3.33Å; Q283-E285 PolarHBondContact O-N 3.29Å; Q283-Q286 PolarHBondContact O-N 3.01Å; Q283-L287 WeakPolarHBondContact O-CG 3.37Å; Q283-L287 PolarHBondContact O-N 3.28Å |
| 284 | V | 98.9 | Very high | 98.8 | Very high | 75 Ų | 75 | 97.6 Ų | 97.6 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.1 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | L280 V281 T282 L287 K288 | L280-V284 WeakPolarHBondContact O-CG2 3.47Å; L280-V284 PolarHBondContact O-N 3.03Å; V281-V284 PolarHBondContact O-N 3.41Å; T282-V284 PolarHBondContact O-N 2.87Å; V284-L287 PolarHBondContact O-N 3.36Å; V284-K288 HydrophobicContact CG1-CD 4.16Å; V284-K288 WeakPolarHBondContact O-CB 3.4Å; V284-K288 VanDerWaalsContact O-CG 3.3Å; V284-K288 WeakPolarHBondContact O-CG 3.3Å; V284-K288 PolarHBondContact O-N 2.99Å |
| 285 | E | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 95.6 Ų | 95.6 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.3 | -75 | 173.5 | -165.8 | 0 | 0 | 111.3 | V281 T282 Q283 L287 K288 H289 | V281-E285 WeakPolarHBondContact CG1-OE1 3.49Å; V281-E285 WeakPolarHBondContact O-CG 3.48Å; V281-E285 PolarHBondContact O-N 2.9Å; T282-E285 PolarHBondContact O-N 3.15Å; Q283-E285 VanDerWaalsContact C-N 3.33Å; Q283-E285 PolarHBondContact O-N 3.29Å; E285-L287 PolarHBondContact O-N 3.17Å; E285-K288 WeakPolarHBondContact O-CB 3.48Å; E285-K288 PolarHBondContact O-N 3.11Å; E285-H289 PolarHBondContact O-N 2.99Å; E285-H289 PolarHBondContact O-ND1 3.25Å |
| 286 | Q | 98.8 | Very high | 98.8 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -47.9 | 176.4 | -72.6 | 170.7 | -9 | 0 | 0 | 111.9 | T282 Q283 K288 H289 E290 | T282-Q286 VanDerWaalsContact O-CG 3.3Å; T282-Q286 WeakPolarHBondContact O-CG 3.36Å; T282-Q286 PolarHBondContact O-N 3.4Å; Q283-Q286 PolarHBondContact O-N 3.01Å; Q286-K288 VanDerWaalsContact C-N 3.32Å; Q286-K288 PolarHBondContact O-N 2.73Å; Q286-H289 WeakPolarHBondContact O-CB 3.27Å; Q286-H289 PolarHBondContact O-N 3.45Å; Q286-H289 VanDerWaalsContact O-N 3.15Å; Q286-E290 PolarHBondContact O-N 2.97Å |
| 287 | L | 98.8 | Very high | 98.8 | Very high | 122 Ų | 122 | 96.5 Ų | 96.5 | 64% | 0.639 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.7 | -36.1 | 178.4 | -71.9 | 173 | 0 | 0 | 0 | 112.6 | Q283 V284 E285 E290 L291 | Q283-L287 WeakPolarHBondContact O-CG 3.37Å; Q283-L287 PolarHBondContact O-N 3.28Å; V284-L287 PolarHBondContact O-N 3.36Å; E285-L287 PolarHBondContact O-N 3.17Å; L287-E290 PolarHBondContact O-N 2.97Å; L287-L291 WeakPolarHBondContact O-CB 3.41Å; L287-L291 PolarHBondContact O-N 3.43Å |
| 288 | K | 98.8 | Very high | 98.8 | Very high | 131 Ų | 131 | 96.3 Ų | 96.3 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 173.4 | -77 | 175.4 | 175.4 | -178.2 | 0 | 112.1 | V284 E285 Q286 S292 | V284-K288 HydrophobicContact CG1-CD 4.16Å; V284-K288 WeakPolarHBondContact O-CB 3.4Å; V284-K288 VanDerWaalsContact O-CG 3.3Å; V284-K288 WeakPolarHBondContact O-CG 3.3Å; V284-K288 PolarHBondContact O-N 2.99Å; E285-K288 WeakPolarHBondContact O-CB 3.48Å; E285-K288 PolarHBondContact O-N 3.11Å; Q286-K288 VanDerWaalsContact C-N 3.32Å; Q286-K288 PolarHBondContact O-N 2.73Å; K288-S292 WeakPolarHBondContact O-CB 3.4Å; K288-S292 PolarHBondContact O-N 3.46Å; K288-S292 PolarHBondContact O-OG 3.34Å |
| 289 | H | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 95.4 Ų | 95.4 | 62% | 0.616 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.2 | -45.4 | 175.8 | -72.2 | 88.8 | 0 | 0 | 0 | 111 | E285 Q286 S292 R293 | E285-H289 PolarHBondContact O-N 2.99Å; E285-H289 PolarHBondContact O-ND1 3.25Å; Q286-H289 WeakPolarHBondContact O-CB 3.27Å; Q286-H289 PolarHBondContact O-N 3.45Å; Q286-H289 VanDerWaalsContact O-N 3.15Å; H289-S292 PolarHBondContact O-N 3.37Å; H289-R293 PolarHBondContact O-N 3Å |
| 290 | E | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 43% | 0.425 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 176.7 | -74.3 | -57.2 | 139.8 | 0 | 0 | 112.4 | Q286 L287 S292 R293 L294 | Q286-E290 PolarHBondContact O-N 2.97Å; L287-E290 PolarHBondContact O-N 2.97Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 2.83Å; E290-R293 WeakPolarHBondContact O-CB 3.4Å; E290-R293 PolarHBondContact O-N 2.94Å; E290-R293 VanDerWaalsContact O-N 3.15Å; E290-R293 IonicContact OE2-CZ 2.84Å; E290-R293 VanDerWaalsContact OE2-CZ 3.29Å; E290-R293 IonicContact OE2-NE 3.97Å; E290-R293 PolarHBondContact OE2-NE 2.66Å; E290-R293 IonicContact OE2-NH2 3.58Å; E290-R293 PolarHBondContact OE2-NH2 3.06Å; E290-L294 WeakPolarHBondContact O-CG 3.35Å; E290-L294 PolarHBondContact O-N 3.38Å |
| 291 | L | 98.6 | Very high | 98.7 | Very high | 112 Ų | 112 | 98.5 Ų | 98.5 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.5 | -43.4 | 176 | -178.2 | 62.7 | 0 | 0 | 0 | 111.3 | L287 R293 L294 V295 | L287-L291 WeakPolarHBondContact O-CB 3.41Å; L287-L291 PolarHBondContact O-N 3.43Å; L291-R293 VanDerWaalsContact C-N 3.29Å; L291-R293 PolarHBondContact O-N 2.84Å; L291-L294 PolarHBondContact O-N 3.3Å; L291-V295 HydrophobicContact CD1-CG2 4.35Å; L291-V295 HydrophobicContact CG-CG2 4.45Å; L291-V295 WeakPolarHBondContact O-CB 3.44Å; L291-V295 VanDerWaalsContact O-CG2 3.27Å; L291-V295 WeakPolarHBondContact O-CG2 3.32Å; L291-V295 PolarHBondContact O-N 3.07Å |
| 292 | S | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 101.1 Ų | 101.1 | 46% | 0.462 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -32.4 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | K288 H289 E290 R296 | K288-S292 WeakPolarHBondContact O-CB 3.4Å; K288-S292 PolarHBondContact O-N 3.46Å; K288-S292 PolarHBondContact O-OG 3.34Å; H289-S292 PolarHBondContact O-N 3.37Å; E290-S292 VanDerWaalsContact C-N 3.3Å; E290-S292 PolarHBondContact O-N 2.83Å; S292-R296 WeakPolarHBondContact O-CG 3.37Å; S292-R296 PolarHBondContact O-N 2.99Å; S292-R296 PolarHBondContact O-NE 2.94Å |
| 293 | R | 98.8 | Very high | 98.5 | Very high | 93 Ų | 93 | 102.4 Ų | 102.4 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -51.1 | 171.9 | -175.9 | -174.9 | 64.6 | 78.9 | 0.3 | 110.7 | H289 E290 L291 V295 R296 E297 | H289-R293 PolarHBondContact O-N 3Å; E290-R293 WeakPolarHBondContact O-CB 3.4Å; E290-R293 PolarHBondContact O-N 2.94Å; E290-R293 VanDerWaalsContact O-N 3.15Å; E290-R293 IonicContact OE2-CZ 2.84Å; E290-R293 VanDerWaalsContact OE2-CZ 3.29Å; E290-R293 IonicContact OE2-NE 3.97Å; E290-R293 PolarHBondContact OE2-NE 2.66Å; E290-R293 IonicContact OE2-NH2 3.58Å; E290-R293 PolarHBondContact OE2-NH2 3.06Å; L291-R293 VanDerWaalsContact C-N 3.29Å; L291-R293 PolarHBondContact O-N 2.84Å; R293-V295 VanDerWaalsContact C-N 3.33Å; R293-V295 PolarHBondContact O-N 2.96Å; R293-R296 PolarHBondContact O-N 2.92Å; R293-E297 WeakPolarHBondContact CG-OE1 3.47Å; R293-E297 IonicContact CZ-OE1 3.06Å; R293-E297 IonicContact NH1-OE1 2.96Å; R293-E297 PolarHBondContact NH1-OE1 3.07Å; R293-E297 IonicContact NH1-OE2 2.73Å; R293-E297 PolarHBondContact NH1-OE2 2.74Å; R293-E297 PolarHBondContact O-N 2.94Å |
| 294 | L | 98.8 | Very high | 98.3 | Very high | 87 Ų | 87 | 104.4 Ų | 104.4 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | -179.6 | -69.7 | 174.7 | 0 | 0 | 0 | 112.9 | E290 L291 E297 R298 | E290-L294 WeakPolarHBondContact O-CG 3.35Å; E290-L294 PolarHBondContact O-N 3.38Å; L291-L294 PolarHBondContact O-N 3.3Å; L294-E297 PolarHBondContact O-N 2.96Å; L294-R298 VanDerWaalsContact O-CB 3.31Å; L294-R298 WeakPolarHBondContact O-CB 3.31Å; L294-R298 PolarHBondContact O-N 3.47Å |
| 295 | V | 98.8 | Very high | 98.1 | Very high | 50 Ų | 50 | 104.4 Ų | 104.4 | 30% | 0.303 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 173.9 | 162.4 | 0 | 0 | 0 | 0 | 110.8 | L291 R293 E297 R298 D299 | L291-V295 HydrophobicContact CD1-CG2 4.35Å; L291-V295 HydrophobicContact CG-CG2 4.45Å; L291-V295 WeakPolarHBondContact O-CB 3.44Å; L291-V295 VanDerWaalsContact O-CG2 3.27Å; L291-V295 WeakPolarHBondContact O-CG2 3.32Å; L291-V295 PolarHBondContact O-N 3.07Å; R293-V295 VanDerWaalsContact C-N 3.33Å; R293-V295 PolarHBondContact O-N 2.96Å; V295-E297 VanDerWaalsContact C-N 3.34Å; V295-E297 PolarHBondContact O-N 3.15Å; V295-R298 PolarHBondContact O-N 3.42Å; V295-D299 WeakPolarHBondContact O-CB 3.4Å; V295-D299 PolarHBondContact O-N 3.36Å |
| 296 | R | 98.7 | Very high | 97.9 | Very high | 172 Ų | 172 | 104.5 Ų | 104.5 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -41.1 | 176.4 | -73.8 | -177.3 | -70.3 | 150.2 | -4.4 | 112.1 | S292 R293 D299 A300 | S292-R296 WeakPolarHBondContact O-CG 3.37Å; S292-R296 PolarHBondContact O-N 2.99Å; S292-R296 PolarHBondContact O-NE 2.94Å; R293-R296 PolarHBondContact O-N 2.92Å; R296-D299 PolarHBondContact O-N 3.09Å; R296-A300 WeakPolarHBondContact O-CB 3.02Å; R296-A300 PolarHBondContact O-N 2.9Å |
| 297 | E | 98.6 | Very high | 97.6 | Very high | 72 Ų | 72 | 105.6 Ų | 105.6 | 34% | 0.336 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 176.3 | -73.8 | 171.9 | -169.7 | 0 | 0 | 111.6 | R293 L294 V295 D299 A300 Y301 | R293-E297 WeakPolarHBondContact CG-OE1 3.47Å; R293-E297 IonicContact CZ-OE1 3.06Å; R293-E297 IonicContact NH1-OE1 2.96Å; R293-E297 PolarHBondContact NH1-OE1 3.07Å; R293-E297 IonicContact NH1-OE2 2.73Å; R293-E297 PolarHBondContact NH1-OE2 2.74Å; R293-E297 PolarHBondContact O-N 2.94Å; L294-E297 PolarHBondContact O-N 2.96Å; V295-E297 VanDerWaalsContact C-N 3.34Å; V295-E297 PolarHBondContact O-N 3.15Å; E297-D299 VanDerWaalsContact C-N 3.31Å; E297-D299 PolarHBondContact O-N 3.12Å; E297-A300 PolarHBondContact O-N 2.95Å; E297-Y301 HydrophobicContact CB-CE2 4.39Å; E297-Y301 WeakPolarHBondContact O-CD2 3.45Å; E297-Y301 PolarHBondContact O-N 3.02Å |
| 298 | R | 98.6 | Very high | 97.2 | Very high | 142 Ų | 142 | 105.2 Ų | 105.2 | 54% | 0.536 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54.3 | -48.3 | 174.5 | 178.6 | -156.2 | 66.4 | -164.6 | -3.1 | 111.1 | L294 V295 Y301 K302 | L294-R298 VanDerWaalsContact O-CB 3.31Å; L294-R298 WeakPolarHBondContact O-CB 3.31Å; L294-R298 PolarHBondContact O-N 3.47Å; V295-R298 PolarHBondContact O-N 3.42Å; R298-Y301 PolarHBondContact O-N 3.08Å; R298-K302 WeakPolarHBondContact O-CB 3.41Å; R298-K302 PolarHBondContact O-N 2.89Å |
| 299 | D | 98.4 | Very high | 96.5 | Very high | 70 Ų | 70 | 103.1 Ų | 103.1 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | -177.5 | -66.1 | -15.4 | 0 | 0 | 0 | 111.7 | V295 R296 E297 K302 L303 | V295-D299 WeakPolarHBondContact O-CB 3.4Å; V295-D299 PolarHBondContact O-N 3.36Å; R296-D299 PolarHBondContact O-N 3.09Å; E297-D299 VanDerWaalsContact C-N 3.31Å; E297-D299 PolarHBondContact O-N 3.12Å; D299-K302 PolarHBondContact O-N 3.42Å; D299-L303 WeakPolarHBondContact O-CB 3.5Å; D299-L303 PolarHBondContact O-N 3.19Å |
| 300 | A | 98.3 | Very high | 94.9 | Very high | 61 Ų | 61 | 98.5 Ų | 98.5 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R296 E297 K304 | R296-A300 WeakPolarHBondContact O-CB 3.02Å; R296-A300 PolarHBondContact O-N 2.9Å; E297-A300 PolarHBondContact O-N 2.95Å; A300-K304 PolarHBondContact O-N 3.49Å; A300-K304 VanDerWaalsContact O-N 3.09Å |
| 301 | Y | 98.3 | Very high | 93 | Very high | 156 Ų | 156 | 97.4 Ų | 97.4 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | 176.2 | -72.8 | -57.7 | 0 | 0 | 0 | 112.3 | E297 R298 L303 K304 C305 | E297-Y301 HydrophobicContact CB-CE2 4.39Å; E297-Y301 WeakPolarHBondContact O-CD2 3.45Å; E297-Y301 PolarHBondContact O-N 3.02Å; R298-Y301 PolarHBondContact O-N 3.08Å; Y301-L303 VanDerWaalsContact C-N 3.33Å; Y301-L303 PolarHBondContact O-N 3.06Å; Y301-K304 WeakPolarHBondContact O-CB 3.46Å; Y301-K304 PolarHBondContact O-N 3.41Å; Y301-K304 VanDerWaalsContact O-N 3.12Å; Y301-C305 PolarHBondContact O-N 3.41Å; Y301-C305 PolarHBondContact O-SG 3.49Å; Y301-C305 VanDerWaalsContact O-SG 3.41Å |
| 302 | K | 97.1 | Very high | 90.9 | Very high | 123 Ų | 123 | 98.9 Ų | 98.9 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.5 | -49.2 | 174.7 | -176.9 | -179.1 | 173.3 | -173.4 | 0 | 110.8 | R298 D299 K304 C305 E306 | R298-K302 WeakPolarHBondContact O-CB 3.41Å; R298-K302 PolarHBondContact O-N 2.89Å; D299-K302 PolarHBondContact O-N 3.42Å; K302-K304 VanDerWaalsContact C-N 3.31Å; K302-K304 PolarHBondContact O-N 2.77Å; K302-C305 PolarHBondContact O-N 2.84Å; K302-E306 WeakPolarHBondContact CE-OE1 3.05Å; K302-E306 IonicContact NZ-OE1 2.74Å; K302-E306 WeakPolarHBondContact O-CG 3.47Å; K302-E306 PolarHBondContact O-N 3.46Å |
| 303 | L | 96.3 | Very high | 88.6 | Confident | 87 Ų | 87 | 100.6 Ų | 100.6 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 177.5 | -177.1 | 63.9 | 0 | 0 | 0 | 112.4 | D299 Y301 K307 | D299-L303 WeakPolarHBondContact O-CB 3.5Å; D299-L303 PolarHBondContact O-N 3.19Å; Y301-L303 VanDerWaalsContact C-N 3.33Å; Y301-L303 PolarHBondContact O-N 3.06Å; L303-K307 VanDerWaalsContact O-CG 3.29Å; L303-K307 WeakPolarHBondContact O-CG 3.29Å; L303-K307 PolarHBondContact O-N 2.83Å; L303-K307 VanDerWaalsContact O-N 3.08Å |
| 304 | K | 95.4 | Very high | 86.3 | Confident | 132 Ų | 132 | 106 Ų | 106 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | 175.8 | -172.7 | 178.6 | -179.9 | -179.3 | 0 | 111.6 | A300 Y301 K302 K307 L308 | A300-K304 PolarHBondContact O-N 3.49Å; A300-K304 VanDerWaalsContact O-N 3.09Å; Y301-K304 WeakPolarHBondContact O-CB 3.46Å; Y301-K304 PolarHBondContact O-N 3.41Å; Y301-K304 VanDerWaalsContact O-N 3.12Å; K302-K304 VanDerWaalsContact C-N 3.31Å; K302-K304 PolarHBondContact O-N 2.77Å; K304-K307 PolarHBondContact O-N 3.41Å; K304-L308 WeakPolarHBondContact O-CG 3.46Å; K304-L308 PolarHBondContact O-N 3.06Å |
| 305 | C | 94.8 | Very high | 83.9 | Confident | 75 Ų | 75 | 110.5 Ų | 110.5 | 51% | 0.507 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -46.8 | 175.8 | -70.3 | 0 | 0 | 0 | 0 | 111.4 | Y301 K302 K307 L308 S309 | Y301-C305 PolarHBondContact O-N 3.41Å; Y301-C305 PolarHBondContact O-SG 3.49Å; Y301-C305 VanDerWaalsContact O-SG 3.41Å; K302-C305 PolarHBondContact O-N 2.84Å; C305-K307 VanDerWaalsContact C-N 3.29Å; C305-K307 PolarHBondContact O-N 3.22Å; C305-L308 PolarHBondContact O-N 3.23Å; C305-S309 WeakPolarHBondContact O-CB 3.49Å; C305-S309 PolarHBondContact O-N 3.25Å; C305-S309 PolarHBondContact O-OG 3.42Å |
| 306 | E | 94.1 | Very high | 81.6 | Confident | 102 Ų | 102 | 116.9 Ų | 116.9 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.1 | -38.7 | 177.5 | -74.2 | 173.4 | 176.9 | 0 | 0 | 112.4 | K302 L308 S309 G310 | K302-E306 WeakPolarHBondContact CE-OE1 3.05Å; K302-E306 IonicContact NZ-OE1 2.74Å; K302-E306 WeakPolarHBondContact O-CG 3.47Å; K302-E306 PolarHBondContact O-N 3.46Å; E306-L308 VanDerWaalsContact C-N 3.33Å; E306-L308 PolarHBondContact O-N 3.33Å; E306-S309 PolarHBondContact O-N 3.34Å; E306-G310 WeakPolarHBondContact O-CA 3.44Å; E306-G310 PolarHBondContact O-N 3.14Å |
| 307 | K | 92.3 | Very high | 79.3 | Confident | 141 Ų | 141 | 114.9 Ų | 114.9 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.5 | -39.8 | 174 | -75.5 | 172.4 | -180 | -178.7 | 0 | 112.7 | L303 K304 C305 A311 | L303-K307 VanDerWaalsContact O-CG 3.29Å; L303-K307 WeakPolarHBondContact O-CG 3.29Å; L303-K307 PolarHBondContact O-N 2.83Å; L303-K307 VanDerWaalsContact O-N 3.08Å; K304-K307 PolarHBondContact O-N 3.41Å; C305-K307 VanDerWaalsContact C-N 3.29Å; C305-K307 PolarHBondContact O-N 3.22Å; K307-A311 PolarHBondContact O-N 3.33Å |
| 308 | L | 91.1 | Very high | 77.1 | Confident | 114 Ų | 114 | 115.2 Ų | 115.2 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.4 | -40.1 | 178.7 | -65.6 | 171.9 | 0 | 0 | 0 | 111.7 | K304 C305 E306 | K304-L308 WeakPolarHBondContact O-CG 3.46Å; K304-L308 PolarHBondContact O-N 3.06Å; C305-L308 PolarHBondContact O-N 3.23Å; E306-L308 VanDerWaalsContact C-N 3.33Å; E306-L308 PolarHBondContact O-N 3.33Å |
| 309 | S | 84.3 | Confident | 74.8 | Confident | 86 Ų | 86 | 114.2 Ų | 114.2 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.6 | -37.6 | 177.7 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | C305 E306 A311 N312 | C305-S309 WeakPolarHBondContact O-CB 3.49Å; C305-S309 PolarHBondContact O-N 3.25Å; C305-S309 PolarHBondContact O-OG 3.42Å; E306-S309 PolarHBondContact O-N 3.34Å; S309-A311 VanDerWaalsContact C-N 3.32Å; S309-A311 PolarHBondContact O-N 3.45Å; S309-N312 PolarHBondContact O-N 3.27Å |
| 310 | G | 63.7 | Low | 72.8 | Confident | 36 Ų | 36 | 116.8 Ų | 116.8 | 37% | 0.371 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.8 | -24.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E306 N312 C313 | E306-G310 WeakPolarHBondContact O-CA 3.44Å; E306-G310 PolarHBondContact O-N 3.14Å; G310-N312 PolarHBondContact O-N 3.01Å; G310-C313 PolarHBondContact O-N 3.42Å |
| 311 | A | 58.7 | Low | 70.6 | Confident | 69 Ų | 69 | 119.5 Ų | 119.5 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -20.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K307 S309 | K307-A311 PolarHBondContact O-N 3.33Å; S309-A311 VanDerWaalsContact C-N 3.32Å; S309-A311 PolarHBondContact O-N 3.45Å |
| 312 | N | 55.5 | Low | 68.4 | Low | 142 Ų | 142 | 119.1 Ų | 119.1 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -0.4 | 179.6 | -77.5 | 21.2 | 0 | 0 | 0 | 114.1 | S309 G310 | S309-N312 PolarHBondContact O-N 3.27Å; G310-N312 PolarHBondContact O-N 3.01Å |
| 313 | C | 50 | Low | 66.3 | Low | 102 Ų | 102 | 120.5 Ų | 120.5 | 69% | 0.689 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -97.5 | 7.4 | -176.3 | -163.8 | 0 | 0 | 0 | 0 | 114.4 | G310 | G310-C313 PolarHBondContact O-N 3.42Š|
| 314 | Y | 50.8 | Low | 64.4 | Low | 207 Ų | 207 | 122 Ų | 122 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -108.2 | 19.7 | 178.5 | -67.6 | -76.8 | 0 | 0 | 0 | 114.4 | ||
| 315 | H | 48.3 | Very low | 62.3 | Low | 181 Ų | 181 | 120.9 Ų | 120.9 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | trans | -115.6 | 26 | 175.3 | -123.2 | -66.9 | 0 | 0 | 0 | 114.7 | ||||
| 316 | E | 49.4 | Very low | 60.2 | Low | 185 Ų | 185 | 122.7 Ų | 122.7 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -109 | 63.1 | 164.1 | -86.8 | -74.2 | 137.8 | 0 | 0 | 109.1 | ||||
| 317 | T | 51.3 | Low | 58.7 | Low | 129 Ų | 129 | 123.4 Ų | 123.4 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -130.6 | 104.7 | 154.7 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 318 | G | 52.7 | Low | 57 | Low | 79 Ų | 79 | 125.2 Ų | 125.2 | 81% | 0.814 | 75% | 0.746 | S | S | * | * | trans | 76.8 | 89.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 319 | S | 50.2 | Low | 54.9 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -146.3 | 112 | 143.1 | -144.3 | 0 | 0 | 0 | 0 | 110.5 | S321 | S319-S321 PolarHBondContact O-N 3.34Š| ||
| 320 | T | 57.3 | Low | 53.5 | Low | 125 Ų | 125 | 132.8 Ų | 132.8 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | -55.4 | 118.6 | -178.7 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 321 | S | 51.5 | Low | 52.6 | Low | 118 Ų | 118 | 142.2 Ų | 142.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -98.7 | 98.4 | 158.3 | 48 | 0 | 0 | 0 | 0 | 108.3 | S319 N323 | S319-S321 PolarHBondContact O-N 3.34Å; S321-N323 PolarHBondContact O-N 3.35Å | ||
| 322 | D | 51.3 | Low | 52.3 | Low | 147 Ų | 147 | 145.9 Ų | 145.9 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -52.2 | 128.8 | 163 | -82.2 | -54.3 | 0 | 0 | 0 | 109.6 | P324 | D322-P324 WeakPolarHBondContact O-CD 3.18Š| ||
| 323 | N | 53.6 | Low | 52.2 | Low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -102.8 | 94.7 | 176.6 | -175.8 | 73.3 | 0 | 0 | 0 | 108.9 | S321 S325 | S321-N323 PolarHBondContact O-N 3.35Å; N323-S325 PolarHBondContact O-N 3.24Å | ||
| 324 | P | 55.8 | Low | 52.3 | Low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | trans | -84.3 | 105.7 | 171.6 | 31.7 | -30.2 | 0 | 0 | 0 | 110.4 | D322 | D322-P324 WeakPolarHBondContact O-CD 3.18Š| ||
| 325 | S | 52.4 | Low | 52.4 | Low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | 9.7 | 117.9 | 148.9 | -147.4 | 0 | 0 | 0 | 0 | 118.2 | N323 | N323-S325 PolarHBondContact O-N 3.24Š| ||
| 326 | S | 50.9 | Low | 52.6 | Low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 129.6 | 160.7 | -162.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 327 | P | 61.9 | Low | 52.8 | Low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 139.6 | -178.4 | 30.4 | -30.7 | 0 | 0 | 0 | 111.8 | ||
| 328 | E | 57.1 | Low | 52.9 | Low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 142.3 | 178.9 | -66.7 | -144.9 | 129.5 | 0 | 0 | 113.8 | ||
| 329 | Y | 47.1 | Very low | 53 | Low | 225 Ų | 225 | 145.5 Ų | 145.5 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -105.8 | 104.8 | 160.6 | -149.1 | -90.9 | 0 | 0 | 0 | 107.4 | ||||
| 330 | L | 53.3 | Low | 53.2 | Low | 135 Ų | 135 | 147.6 Ų | 147.6 | 71% | 0.707 | 82% | 0.82 | S | S | * | * | trans | -133.4 | 122.3 | 167.9 | -153 | 88.1 | 0 | 0 | 0 | 109.7 | ||||
| 331 | M | 46.3 | Very low | 52.8 | Low | 233 Ų | 233 | 149.6 Ų | 149.6 | 100% | 1.148 | 83% | 0.825 | S | S | * | * | trans | 80.2 | 0 | 174.9 | -96.1 | 171.6 | -79.4 | 0 | 0 | 119.1 |
Retrieved 331 of 331 residues in 161.3 ms
(Link to these results)