| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 38.7 | Very low | 213 Ų | 213 | 165 Ų | 165 | 100% | 1.049 | 81% | 0.81 | S | S | * | * | 0 | 108.8 | 0 | -48.3 | -41.9 | 178 | 0 | 0 | 106.2 | |||||
| 2 | H | 34.9 | Very low | 38.2 | Very low | 174 Ų | 174 | 161.1 Ų | 161.1 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | 63.7 | 118.2 | 75.2 | -64.2 | 129.6 | 0 | 0 | 0 | 110.6 | |||||
| 3 | T | 39.9 | Very low | 38.2 | Very low | 117 Ų | 117 | 159.5 Ų | 159.5 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | cis | -145.8 | 150.3 | -0.5 | 45.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | E | 41.8 | Very low | 38.9 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | 65.2 | 142.6 | 65.9 | -137.4 | -152.9 | 131.6 | 0 | 0 | 116.9 | |||||
| 5 | T | 39.2 | Very low | 38.7 | Very low | 120 Ų | 120 | 160.1 Ų | 160.1 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | 74.3 | 156.6 | 177.7 | 82.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 6 | R | 44.1 | Very low | 38.6 | Very low | 225 Ų | 225 | 161.1 Ų | 161.1 | 85% | 0.849 | 82% | 0.818 | S | S | * | * | cis | -146.9 | 138.1 | 10.9 | -163.7 | 173.4 | 175.5 | 151.9 | -0.3 | 114.5 | ||||
| 7 | N | 32.9 | Very low | 38.5 | Very low | 141 Ų | 141 | 163.2 Ų | 163.2 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | trans | -68.4 | 148.6 | 170.8 | -174 | -2.7 | 0 | 0 | 0 | 112.8 | ||||
| 8 | K | 48 | Very low | 38.4 | Very low | 202 Ų | 202 | 164.1 Ų | 164.1 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -137.4 | 119.4 | 167.5 | -81.8 | -171.6 | 176.7 | 177.9 | 0 | 111.8 | ||||
| 9 | K | 39.6 | Very low | 38 | Very low | 166 Ų | 166 | 161.1 Ų | 161.1 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | -136.6 | 119.5 | 173.8 | 175.4 | 175.4 | 179.2 | 173.9 | 0 | 111.1 | ||||
| 10 | C | 30.6 | Very low | 37.7 | Very low | 126 Ų | 126 | 158 Ų | 158 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -138.6 | 134.5 | 155.7 | -66 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 11 | Q | 36.7 | Very low | 37.5 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | cis | 63.8 | 97.2 | 29 | -62.8 | -146.7 | 86.7 | 0 | 0 | 115.8 | ||||
| 12 | S | 32.7 | Very low | 37.2 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -155.3 | 142.6 | 141 | 56.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 13 | T | 38.9 | Very low | 37.4 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -124.2 | -156.4 | 178.3 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 14 | P | 47.6 | Very low | 37.4 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | -100.8 | 174.8 | -117.7 | 37.9 | -23.9 | 0 | 0 | 0 | 114.5 | |||||
| 15 | K | 35.6 | Very low | 37.3 | Very low | 215 Ų | 215 | 154 Ų | 154 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | trans | -132.9 | 133.3 | 165.3 | -85.3 | -178.1 | 176 | 171 | 0 | 112.5 | ||||
| 16 | Q | 37.8 | Very low | 37.2 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -100.4 | 153.9 | 172.1 | -64.2 | 178.2 | -22.4 | 0 | 0 | 111.7 | ||||
| 17 | K | 36.6 | Very low | 36.9 | Very low | 196 Ų | 196 | 154.3 Ų | 154.3 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -170 | 127.1 | 146.9 | -100.4 | 162.9 | -175.2 | -172.4 | 0 | 105.5 | ||||
| 18 | K | 36.6 | Very low | 37 | Very low | 180 Ų | 180 | 158.2 Ų | 158.2 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | 60.4 | 130.6 | 58.6 | -63.8 | -169.4 | 179 | -175.8 | 0 | 112.5 | |||||
| 19 | S | 30.3 | Very low | 36.2 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | cis | -170.2 | -179.4 | -4.8 | -92.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | A | 33.5 | Very low | 36.7 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | 75.7 | 137.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 21 | A | 33.4 | Very low | 36.9 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | cis | 103.4 | 122.5 | 17.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 22 | G | 29.8 | Very low | 37 | Very low | 85 Ų | 85 | 151.9 Ų | 151.9 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | trans | 174.8 | 107.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 23 | A | 39.1 | Very low | 37.3 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -105.7 | 148.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 24 | R | 39.8 | Very low | 37.1 | Very low | 257 Ų | 257 | 155.1 Ų | 155.1 | 97% | 0.97 | 84% | 0.835 | S | S | * | * | trans | -145.5 | 162.2 | 161.1 | -109.9 | 168.3 | -169.8 | -112 | -0.6 | 111.7 | ||||
| 25 | K | 40.3 | Very low | 36.6 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | -152.7 | 160.9 | -154.5 | -165.1 | 176.2 | -172.5 | 175.2 | 0 | 109.6 | ||||
| 26 | K | 38.3 | Very low | 36.7 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 78% | 0.778 | 83% | 0.83 | S | S | * | * | trans | 76.9 | 159.4 | 179.9 | -47.8 | 179.5 | 177.4 | -179.5 | 0 | 113.6 | ||||
| 27 | Q | 36.6 | Very low | 36.9 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | cis | -141.4 | -164.2 | 7.8 | -146 | 137.4 | -23.4 | 0 | 0 | 112.8 | ||||
| 28 | R | 34.7 | Very low | 37 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 84% | 0.842 | 83% | 0.832 | S | S | * | * | trans | -144.1 | 150.9 | -160.9 | -167.4 | -156.8 | -175.8 | -150.7 | 4.5 | 112 | ||||
| 29 | S | 32.2 | Very low | 37.3 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 66% | 0.664 | 84% | 0.835 | S | S | * | * | trans | 71.7 | 163.9 | 160.8 | -64.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 30 | P | 50.5 | Low | 38.5 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | cis | -132.5 | 170.9 | -15.8 | 28.8 | -6.9 | 0 | 0 | 0 | 117.3 | ||||
| 31 | A | 34.7 | Very low | 39.3 | Very low | 93 Ų | 93 | 152.2 Ų | 152.2 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -26.6 | 155.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 32 | K | 38.5 | Very low | 39.8 | Very low | 212 Ų | 212 | 152.7 Ų | 152.7 | 92% | 0.922 | 83% | 0.834 | S | S | * | * | -150.8 | 163.9 | 129.2 | -111.6 | 171.6 | -174.7 | 179.9 | 0 | 111.3 | |||||
| 33 | Q | 38 | Very low | 40.7 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -114.2 | 154.6 | -168.3 | -61.8 | 164.5 | -23.8 | 0 | 0 | 112.1 | ||||
| 34 | S | 35.8 | Very low | 41.5 | Very low | 131 Ų | 131 | 154.5 Ų | 154.5 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -159.1 | 160.2 | 138.3 | -154.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 35 | A | 36.9 | Very low | 42.2 | Very low | 89 Ų | 89 | 147.8 Ų | 147.8 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -118.9 | 147.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 36 | V | 37.7 | Very low | 42.5 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | -137.6 | 123.9 | 161.5 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 37 | T | 40.8 | Very low | 42.8 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -80 | 127.1 | -178.7 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 38 | R | 39.6 | Very low | 42.6 | Very low | 237 Ų | 237 | 138.3 Ų | 138.3 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | -140.2 | 152.7 | 156.6 | -73.1 | -161.2 | 173.2 | -133.8 | -4.6 | 110.8 | ||||
| 39 | Q | 43.7 | Very low | 43.2 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82 | 157.5 | -168.7 | -68.8 | 164.3 | -25.8 | 0 | 0 | 112.8 | ||
| 40 | P | 55.1 | Low | 43.5 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 147 | 170.4 | 31.6 | -35.1 | 0 | 0 | 0 | 111.5 | ||
| 41 | P | 49.8 | Very low | 42.8 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 84% | 0.844 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 144.3 | 169.1 | 30.1 | -33.8 | 0 | 0 | 0 | 111 | ||
| 42 | S | 43.7 | Very low | 43.1 | Very low | 118 Ų | 118 | 148 Ų | 148 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 142.3 | -177.5 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 43 | S | 48.2 | Very low | 43.3 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 146.1 | 171.7 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 44 | P | 57.5 | Low | 43.4 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 147.4 | 170.1 | 30.8 | -34.7 | 0 | 0 | 0 | 111.4 | ||
| 45 | P | 53.1 | Low | 43.7 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 156.6 | 175.2 | 31.8 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 46 | P | 47.6 | Very low | 44.1 | Very low | 105 Ų | 105 | 152.8 Ų | 152.8 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 148.6 | 177.9 | 31.4 | -35.4 | 0 | 0 | 0 | 112.4 | S48 | P46-S48 PolarHBondContact O-N 2.73Å; P46-S48 VanDerWaalsContact O-N 3.09Å |
| 47 | P | 44 | Very low | 44.2 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -75.1 | 96.3 | 173.4 | 30.5 | -33.7 | 0 | 0 | 0 | 111.1 | A49 | P47-A49 PolarHBondContact O-N 3.02Š| ||
| 48 | S | 33.6 | Very low | 43.9 | Very low | 104 Ų | 104 | 157.5 Ų | 157.5 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -79.5 | 115.9 | 176.1 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | P46 R50 | P46-S48 PolarHBondContact O-N 2.73Å; P46-S48 VanDerWaalsContact O-N 3.09Å; S48-R50 PolarHBondContact O-N 3.49Å | ||
| 49 | A | 46.8 | Very low | 43.7 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 37 | 75.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | P47 | P47-A49 PolarHBondContact O-N 3.02Š|
| 50 | R | 37.3 | Very low | 43.3 | Very low | 245 Ų | 245 | 148.2 Ų | 148.2 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -159 | 80.2 | 156.7 | -138.5 | 179.6 | -172.6 | -146.4 | -1.1 | 114.8 | S48 | S48-R50 PolarHBondContact O-N 3.49Š| ||
| 51 | R | 36.3 | Very low | 42.2 | Very low | 208 Ų | 208 | 149.3 Ų | 149.3 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -167.2 | 61.9 | 151.2 | -123.5 | 177.3 | 178.2 | 171.1 | 0.1 | 113.3 | E54 | R51-E54 IonicContact CZ-OE2 3.72Å; R51-E54 IonicContact NE-OE2 2.7Å; R51-E54 PolarHBondContact NE-OE2 3.05Å; R51-E54 IonicContact NH2-OE1 2.95Å; R51-E54 IonicContact NH2-OE2 3.75Å; R51-E54 PolarHBondContact NH2-OE2 3.17Å | ||
| 52 | E | 40.9 | Very low | 41.6 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -112.1 | 155.2 | 147.5 | -63.4 | -179.2 | 132 | 0 | 0 | 105.5 | ||
| 53 | Q | 43.5 | Very low | 41.5 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | 78.1 | 58.9 | -174.1 | -48.9 | 173.3 | -17 | 0 | 0 | 117.4 | ||||
| 54 | E | 38.9 | Very low | 40.8 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 65% | 0.645 | 81% | 0.81 | S | S | * | * | trans | -146.4 | 64.1 | 160.7 | -76.5 | -174 | 128.6 | 0 | 0 | 111.6 | R51 | R51-E54 IonicContact CZ-OE2 3.72Å; R51-E54 IonicContact NE-OE2 2.7Å; R51-E54 PolarHBondContact NE-OE2 3.05Å; R51-E54 IonicContact NH2-OE1 2.95Å; R51-E54 IonicContact NH2-OE2 3.75Å; R51-E54 PolarHBondContact NH2-OE2 3.17Å | ||
| 55 | E | 42.3 | Very low | 39.9 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -159.3 | 24.9 | 163.2 | -130.1 | 174.5 | -174 | 0 | 0 | 114.9 | ||
| 56 | E | 45.8 | Very low | 39.4 | Very low | 197 Ų | 197 | 152.7 Ų | 152.7 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -135.1 | 67.2 | 172 | -78.1 | -157.1 | 125.4 | 0 | 0 | 112.6 | ||
| 57 | E | 40.8 | Very low | 38.7 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -164.2 | 122.6 | 144.7 | -122.4 | -169.9 | 139.9 | 0 | 0 | 111.3 | ||||
| 58 | E | 34.6 | Very low | 38.1 | Very low | 177 Ų | 177 | 159 Ų | 159 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -170.9 | 100.6 | 147.3 | -116.9 | -69.7 | 73.5 | 0 | 0 | 108.7 | ||||
| 59 | L | 35.1 | Very low | 38.3 | Very low | 136 Ų | 136 | 163.7 Ų | 163.7 | 71% | 0.712 | 83% | 0.829 | S | S | * | * | trans | -143.5 | 125.5 | 174.8 | -177.9 | 70.3 | 0 | 0 | 0 | 109.5 | ||||
| 60 | A | 33.8 | Very low | 37.6 | Very low | 86 Ų | 86 | 167.1 Ų | 167.1 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | 81.6 | 84.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 61 | T | 33.5 | Very low | 37.7 | Very low | 139 Ų | 139 | 164.7 Ų | 164.7 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | -136 | 123 | 122.4 | -69.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 62 | G | 35.6 | Very low | 37.5 | Very low | 62 Ų | 62 | 163 Ų | 163 | 64% | 0.639 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 143.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 63 | P | 41.4 | Very low | 37.5 | Very low | 132 Ų | 132 | 159.5 Ų | 159.5 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 144.4 | 176.8 | 28.9 | -34.2 | 0 | 0 | 0 | 111.7 | ||
| 64 | R | 33.8 | Very low | 37.1 | Very low | 233 Ų | 233 | 160.5 Ų | 160.5 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 148.7 | 173.4 | -74.7 | 179.8 | 166.1 | -155.2 | -2.1 | 111.4 | ||
| 65 | P | 40.2 | Very low | 36.8 | Very low | 113 Ų | 113 | 162.4 Ų | 162.4 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 155.6 | 165.8 | 32.6 | -35.1 | 0 | 0 | 0 | 111.6 | ||
| 66 | P | 41.3 | Very low | 36.3 | Very low | 122 Ų | 122 | 158.9 Ų | 158.9 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 161.8 | 167.1 | 32.4 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 67 | H | 32.6 | Very low | 35.5 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73 | 146.4 | 179.3 | -88 | -122.6 | 0 | 0 | 0 | 112.9 | ||
| 68 | E | 32.8 | Very low | 34.9 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 140.9 | 156.5 | -61.2 | 174.4 | 118.1 | 0 | 0 | 108.7 | ||
| 69 | E | 36.2 | Very low | 34.7 | Very low | 202 Ų | 202 | 149.4 Ų | 149.4 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | trans | -114.4 | 129.9 | 164 | -72.4 | -159.5 | 123.9 | 0 | 0 | 109.6 | ||||
| 70 | E | 33 | Very low | 34.3 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -109.9 | 110.9 | -176.9 | -174 | -164.3 | 150.1 | 0 | 0 | 109.8 | ||||
| 71 | E | 40.2 | Very low | 34 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | -107.3 | 139.5 | 165.9 | -93.2 | -131.9 | 100.4 | 0 | 0 | 111.5 | ||||
| 72 | K | 30.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -99.9 | 155.5 | -174.1 | -93.8 | -170.4 | 66.8 | 173.1 | 0 | 113.8 | ||||
| 73 | P | 41.1 | Very low | 33.7 | Very low | 112 Ų | 112 | 157.4 Ų | 157.4 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -85 | 166.9 | -163 | 34.7 | -38.9 | 0 | 0 | 0 | 115 | ||||
| 74 | K | 34.5 | Very low | 33.3 | Very low | 216 Ų | 216 | 159.2 Ų | 159.2 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -133.5 | 161.9 | 157.7 | -71.3 | -175.4 | -179.9 | 170.4 | 0 | 110.4 | ||||
| 75 | E | 32.7 | Very low | 33.5 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -110 | 157.4 | -153.9 | -107.5 | -167 | 116.4 | 0 | 0 | 116.5 | ||||
| 76 | V | 33 | Very low | 33.5 | Very low | 124 Ų | 124 | 158.3 Ų | 158.3 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | 61 | 126.9 | 147.1 | 175.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 77 | G | 28.7 | Very low | 33.9 | Very low | 78 Ų | 78 | 160.7 Ų | 160.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -169.5 | 58.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 78 | T | 27.2 | Very low | 33.9 | Very low | 125 Ų | 125 | 159.1 Ų | 159.1 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | trans | -69.3 | 131.6 | -177.2 | -48.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 79 | L | 30.5 | Very low | 34.5 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -155.2 | 164.1 | 153 | -110.5 | 172.7 | 0 | 0 | 0 | 111.1 | ||||
| 80 | T | 27.2 | Very low | 34.4 | Very low | 108 Ų | 108 | 159.2 Ų | 159.2 | 66% | 0.663 | 81% | 0.812 | S | S | * | * | trans | -136.1 | 155.5 | -153 | 48.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 81 | V | 27.6 | Very low | 34.8 | Very low | 124 Ų | 124 | 157.7 Ų | 157.7 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | 67.9 | 113.9 | 146.7 | 164.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 82 | R | 29.5 | Very low | 34.6 | Very low | 236 Ų | 236 | 157.5 Ų | 157.5 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | -164.4 | 144.8 | 98.8 | -94.4 | -163 | 173.8 | 98.5 | 4 | 113 | |||||
| 83 | V | 34.5 | Very low | 34.9 | Very low | 124 Ų | 124 | 158 Ų | 158 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -97.4 | 145.5 | 163.2 | 173.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 84 | K | 33.1 | Very low | 34.6 | Very low | 170 Ų | 170 | 157.5 Ų | 157.5 | 74% | 0.739 | 81% | 0.811 | S | S | * | * | trans | -145 | 126.8 | 153.9 | -126.8 | -161.9 | 171.8 | -140.2 | 0 | 109.3 | E86 | K84-E86 IonicContact NZ-OE1 2.79Å; K84-E86 PolarHBondContact NZ-OE1 2.8Å | ||
| 85 | Q | 37.5 | Very low | 34.7 | Very low | 161 Ų | 161 | 156.2 Ų | 156.2 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -92.5 | 145.2 | 163.3 | -57.7 | 155.4 | -89.6 | 0 | 0 | 107.4 | ||||
| 86 | E | 40.2 | Very low | 34.5 | Very low | 166 Ų | 166 | 151 Ų | 151 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -139.1 | 140.2 | 147.2 | -66.1 | -172.5 | 156.8 | 0 | 0 | 107.5 | K84 | K84-E86 IonicContact NZ-OE1 2.79Å; K84-E86 PolarHBondContact NZ-OE1 2.8Å | ||
| 87 | E | 49.7 | Very low | 34.7 | Very low | 172 Ų | 172 | 155.6 Ų | 155.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -107 | 158.9 | -176.1 | -61.1 | 165.7 | 113.9 | 0 | 0 | 110.1 | ||||
| 88 | T | 31.9 | Very low | 35.2 | Very low | 149 Ų | 149 | 161.7 Ų | 161.7 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -172 | 151.3 | 139.5 | 10.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 89 | E | 45.1 | Very low | 35.5 | Very low | 193 Ų | 193 | 163.6 Ų | 163.6 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -102.3 | 154.1 | 177.3 | -54.5 | 173.1 | 112.6 | 0 | 0 | 110.9 | ||||
| 90 | E | 35.3 | Very low | 35.8 | Very low | 204 Ų | 204 | 163.8 Ų | 163.8 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -150.2 | 152.4 | 142.8 | -147.5 | 179.2 | 114 | 0 | 0 | 111.1 | ||||
| 91 | E | 39.8 | Very low | 36.3 | Very low | 142 Ų | 142 | 163.6 Ų | 163.6 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | trans | -130.3 | 129.7 | -169.8 | 173.5 | -138.7 | 88.9 | 0 | 0 | 109.7 | ||||
| 92 | K | 37.1 | Very low | 36.6 | Very low | 190 Ų | 190 | 163.2 Ų | 163.2 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -171.2 | 160.3 | 133.5 | -107.9 | 145.5 | -163.9 | 142.3 | 0 | 119.2 | ||||
| 93 | E | 36.4 | Very low | 36.7 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -95.8 | 143.7 | -174.9 | 178.7 | -161.8 | 128.7 | 0 | 0 | 112.5 | ||||
| 94 | A | 35.4 | Very low | 36.7 | Very low | 101 Ų | 101 | 160.7 Ų | 160.7 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -157 | 127.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 95 | Q | 35.4 | Very low | 36.9 | Very low | 190 Ų | 190 | 159.7 Ų | 159.7 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -62.4 | 138.7 | 179.5 | -174.5 | 75.4 | -54.1 | 0 | 0 | 114.9 | ||||
| 96 | G | 29.7 | Very low | 36.5 | Very low | 68 Ų | 68 | 159.3 Ų | 159.3 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -155.7 | 32.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 97 | R | 36.2 | Very low | 36.2 | Very low | 219 Ų | 219 | 156.8 Ų | 156.8 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 48.8 | 126.9 | 162.3 | -68.2 | -177.3 | 174.7 | -179.8 | 0.7 | 121.1 | ||||
| 98 | R | 39.6 | Very low | 35.4 | Very low | 206 Ų | 206 | 155.3 Ų | 155.3 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | 37 | 113.8 | 142 | -71.3 | -171.2 | -97.8 | 145 | -12.9 | 119.1 | ||||
| 99 | D | 33.3 | Very low | 35.8 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | -160.7 | 160.2 | 110.9 | -100.1 | -32.2 | 0 | 0 | 0 | 111.7 | |||||
| 100 | M | 36.9 | Very low | 35.3 | Very low | 170 Ų | 170 | 153.4 Ų | 153.4 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | trans | -101.2 | 120.4 | 179.4 | -80.5 | -126.9 | 69.8 | 0 | 0 | 111.7 | S102 | M100-S102 PolarHBondContact O-N 3Š| ||
| 101 | P | 38.8 | Very low | 35.2 | Very low | 104 Ų | 104 | 152 Ų | 152 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | -79.8 | 117.8 | 170 | 30.8 | -31.6 | 0 | 0 | 0 | 110.9 | V103 | P101-V103 PolarHBondContact O-N 3.43Å; P101-V103 VanDerWaalsContact O-N 3.11Å | ||
| 102 | S | 34 | Very low | 35.2 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -68.6 | 103.2 | 171.2 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | M100 Q104 | M100-S102 PolarHBondContact O-N 3Å; S102-Q104 PolarHBondContact O-N 3.41Å; S102-Q104 VanDerWaalsContact O-N 3.12Å | ||
| 103 | V | 30.9 | Very low | 34.8 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | trans | -69.7 | 107.1 | 174.8 | -179 | 0 | 0 | 0 | 0 | 109.7 | P101 I105 | P101-V103 PolarHBondContact O-N 3.43Å; P101-V103 VanDerWaalsContact O-N 3.11Å; V103-I105 HydrophobicContact CG1-CG1 4.07Å; V103-I105 PolarHBondContact O-N 3.43Å; V103-I105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | Q | 33.4 | Very low | 34.5 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -75.5 | 96.5 | 168.6 | -64.9 | -174.1 | 34.7 | 0 | 0 | 109.3 | S102 K106 | S102-Q104 PolarHBondContact O-N 3.41Å; S102-Q104 VanDerWaalsContact O-N 3.12Å; Q104-K106 PolarHBondContact O-N 3.26Å; Q104-K106 VanDerWaalsContact O-N 3.11Å | ||
| 105 | I | 37.6 | Very low | 34.2 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -73.7 | 101 | 166.9 | -58.3 | 179.9 | 0 | 0 | 0 | 107.4 | V103 P107 | V103-I105 HydrophobicContact CG1-CG1 4.07Å; V103-I105 PolarHBondContact O-N 3.43Å; V103-I105 VanDerWaalsContact O-N 3.14Å; I105-P107 VanDerWaalsContact O-CD 3.3Å; I105-P107 WeakPolarHBondContact O-CD 3.31Å | ||
| 106 | K | 29.4 | Very low | 34.2 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 114.8 | 170.9 | -176.8 | -164.5 | -176.2 | -165 | 0 | 108.6 | Q104 E108 | Q104-K106 PolarHBondContact O-N 3.26Å; Q104-K106 VanDerWaalsContact O-N 3.11Å; K106-E108 HydrophobicContact CD-CG 4.18Å; K106-E108 WeakPolarHBondContact CE-OE1 3Å; K106-E108 HydrophobicContact CG-CG 4.49Å; K106-E108 IonicContact NZ-OE1 2.6Å; K106-E108 PolarHBondContact NZ-OE1 2.95Å; K106-E108 PolarHBondContact O-N 2.69Å | ||
| 107 | P | 33.8 | Very low | 34 | Very low | 113 Ų | 113 | 151.4 Ų | 151.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -77.1 | 119.6 | 168.4 | 31.1 | -30.7 | 0 | 0 | 0 | 108.8 | I105 | I105-P107 VanDerWaalsContact O-CD 3.3Å; I105-P107 WeakPolarHBondContact O-CD 3.31Å | ||
| 108 | E | 33.5 | Very low | 33.7 | Very low | 142 Ų | 142 | 147 Ų | 147 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -94.9 | 141.1 | 161.9 | -60.2 | -152.9 | 133 | 0 | 0 | 109.3 | K106 | K106-E108 HydrophobicContact CD-CG 4.18Å; K106-E108 WeakPolarHBondContact CE-OE1 3Å; K106-E108 HydrophobicContact CG-CG 4.49Å; K106-E108 IonicContact NZ-OE1 2.6Å; K106-E108 PolarHBondContact NZ-OE1 2.95Å; K106-E108 PolarHBondContact O-N 2.69Å | ||
| 109 | P | 40 | Very low | 33.2 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -83.9 | 115.9 | 179.3 | 32.1 | -31.5 | 0 | 0 | 0 | 110.8 | E111 | P109-E111 HydrophobicContact CB-CG 4.33Å; P109-E111 PolarHBondContact O-N 3.35Å | ||
| 110 | E | 34.9 | Very low | 33 | Very low | 196 Ų | 196 | 139 Ų | 139 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -77 | 97.3 | 159.7 | -71.1 | -167 | 146.2 | 0 | 0 | 108.8 | M112 | E110-M112 PolarHBondContact O-N 3.11Š| ||
| 111 | E | 32.6 | Very low | 32.6 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -76.5 | 104.8 | 175.5 | -59.7 | -163.5 | 131.9 | 0 | 0 | 110 | P109 E113 | P109-E111 HydrophobicContact CB-CG 4.33Å; P109-E111 PolarHBondContact O-N 3.35Å; E111-E113 PolarHBondContact O-N 3.42Å | ||
| 112 | M | 40.8 | Very low | 32.3 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -83.1 | 101.8 | 172 | -168.2 | 176.5 | -165.8 | 0 | 0 | 110 | E110 C114 | E110-M112 PolarHBondContact O-N 3.11Å; M112-C114 PolarHBondContact O-N 2.87Å | ||
| 113 | E | 28.4 | Very low | 32.1 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -55.8 | 136.3 | 178.6 | -69 | -171.9 | 94.2 | 0 | 0 | 112.4 | E111 | E111-E113 PolarHBondContact O-N 3.42Š| ||
| 114 | C | 30.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -99.4 | 93.1 | -178.4 | -68.8 | 0 | 0 | 0 | 0 | 110.5 | M112 A116 | M112-C114 PolarHBondContact O-N 2.87Å; C114-A116 PolarHBondContact O-N 3.1Å | ||
| 115 | T | 29.2 | Very low | 32.1 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -67.3 | 115.6 | 162.5 | 44.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 116 | A | 34.9 | Very low | 31.9 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -86.6 | 136.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C114 | C114-A116 PolarHBondContact O-N 3.1Š| ||
| 117 | D | 25.4 | Very low | 32 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -142.5 | 147.7 | 151.3 | -162.9 | -112.7 | 0 | 0 | 0 | 112.7 | ||||
| 118 | V | 29 | Very low | 31.8 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -0.3 | 101.2 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 119 | G | 30.8 | Very low | 31.7 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | 41.2 | 117.4 | 122.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 120 | D | 28.6 | Very low | 31.2 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -150.8 | 152.8 | 136.9 | -148.3 | -16.3 | 0 | 0 | 0 | 110.5 | H409 | D120-H409 IonicContact OD2-CE1 3.13Š| ||
| 121 | D | 28.9 | Very low | 31 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | trans | -48.7 | 128.7 | -157.6 | -171.2 | -100.8 | 0 | 0 | 0 | 116.9 | S123 | D121-S123 PolarHBondContact OD1-N 2.66Å; D121-S123 PolarHBondContact OD1-OG 2.86Å | ||
| 122 | C | 30.8 | Very low | 30.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -111.3 | 87.5 | 170.8 | -142.8 | 0 | 0 | 0 | 0 | 109.2 | Q124 | C122-Q124 PolarHBondContact O-N 3.03Š| ||
| 123 | S | 30.8 | Very low | 30.3 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -63.6 | 103.6 | -175 | -39 | 0 | 0 | 0 | 0 | 112.2 | D121 | D121-S123 PolarHBondContact OD1-N 2.66Å; D121-S123 PolarHBondContact OD1-OG 2.86Å | ||
| 124 | Q | 33 | Very low | 30.3 | Very low | 166 Ų | 166 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -125.9 | 148.4 | 169.7 | -68.7 | -151.6 | 30.5 | 0 | 0 | 111.5 | C122 | C122-Q124 PolarHBondContact O-N 3.03Š| ||
| 125 | P | 32 | Very low | 30 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -78.8 | 157.8 | 178.1 | 33.4 | -35.5 | 0 | 0 | 0 | 112.9 | ||||
| 126 | T | 33.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -60.3 | 162.6 | 165.8 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 127 | D | 30 | Very low | 29.5 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | cis | -151.9 | 160.6 | 6.6 | -156.9 | -79.3 | 0 | 0 | 0 | 108.3 | ||||
| 128 | L | 31.4 | Very low | 30.5 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | trans | -172.9 | 131.2 | 132.3 | -104.7 | 170.4 | 0 | 0 | 0 | 112.6 | ||||
| 129 | K | 29.5 | Very low | 30.3 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -92.5 | 126.2 | -174.1 | -165.7 | 84.6 | 166.5 | -172.1 | 0 | 112.5 | ||||
| 130 | M | 30.4 | Very low | 30.2 | Very low | 193 Ų | 193 | 140 Ų | 140 | 95% | 0.951 | 76% | 0.764 | S | S | * | * | trans | -135.9 | 157.4 | 152.6 | -70.7 | -159.6 | 177.8 | 0 | 0 | 111.1 | ||||
| 131 | K | 30.3 | Very low | 30.8 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -124.2 | 151 | -173.7 | -68 | -179 | 170.3 | -166.8 | 0 | 111 | ||||
| 132 | S | 29.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -159.3 | 124.7 | 142.7 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 133 | E | 30.4 | Very low | 30.5 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -64.4 | 166.1 | 153.5 | -63.5 | 116.8 | 68.6 | 0 | 0 | 108.9 | ||||
| 134 | F | 26.8 | Very low | 30.4 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | cis | -152.9 | -170.1 | 24.5 | -149.1 | -175.3 | 0 | 0 | 0 | 106.7 | ||||
| 135 | K | 24.5 | Very low | 30.8 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | cis | -159 | 175.8 | 7.9 | -162.5 | -162.7 | 165.7 | -168.6 | 0 | 108.3 | ||||
| 136 | A | 26.2 | Very low | 30.6 | Very low | 63 Ų | 63 | 137.4 Ų | 137.4 | 52% | 0.521 | 77% | 0.768 | S | S | . | * | trans | -117.2 | -176.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 137 | E | 27.9 | Very low | 30.5 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | cis | -151.9 | -134.5 | 22.8 | -151.6 | 177.9 | 95.4 | 0 | 0 | 113.1 | ||||
| 138 | P | 46.2 | Very low | 30.2 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -122.7 | 173.4 | -142.6 | 44.1 | -27 | 0 | 0 | 0 | 117.8 | ||||
| 139 | S | 25.9 | Very low | 30.1 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -156.7 | 141.4 | 145.7 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 140 | S | 28.7 | Very low | 30 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -135.4 | 167.7 | 156.1 | -54.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 141 | P | 40.7 | Very low | 29.9 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | -161.9 | 170.9 | 98.3 | 42.4 | -23.8 | 0 | 0 | 0 | 118.1 | |||||
| 142 | H | 28.2 | Very low | 31.1 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | 60.9 | 151.6 | 150.6 | -70 | -52 | 0 | 0 | 0 | 120 | ||||
| 143 | S | 25.6 | Very low | 31.1 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -162.1 | 165.8 | -8.6 | -107.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 144 | S | 27.6 | Very low | 31 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -96 | 171.5 | 165.9 | -46.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 145 | P | 41.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | -144 | 162.7 | 83.7 | 38.9 | -20.3 | 0 | 0 | 0 | 114.8 | |||||
| 146 | A | 27.9 | Very low | 31.2 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 53 | 141.7 | 104.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 147 | E | 30.9 | Very low | 31.3 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | cis | -161.4 | 174.1 | 46.9 | -81.1 | 168.1 | -166.2 | 0 | 0 | 109.1 | ||||
| 148 | D | 24.7 | Very low | 31.3 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | cis | -174.5 | -173.4 | -18.1 | 177.7 | 44.2 | 0 | 0 | 0 | 109.1 | ||||
| 149 | Q | 28.2 | Very low | 30.5 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 101.6 | 160.8 | 160.4 | -59.6 | -175.7 | 54.6 | 0 | 0 | 120.9 | ||||
| 150 | T | 27.2 | Very low | 31.2 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -146.9 | 144.7 | -144.1 | 48.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 151 | E | 28.9 | Very low | 31.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 65.8 | -178.8 | 147.5 | -61 | -65.4 | 109 | 0 | 0 | 118.5 | ||||
| 152 | P | 54.9 | Low | 30.6 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | -137.4 | 176.5 | -77.1 | 42.6 | -26.7 | 0 | 0 | 0 | 115.4 | |||||
| 153 | V | 31 | Very low | 30.5 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 95% | 0.952 | 77% | 0.768 | S | S | * | * | trans | -161.4 | 164.2 | 154.2 | -103.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 154 | D | 26.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -142 | -179.1 | -162.1 | -167 | -9.1 | 0 | 0 | 0 | 112.5 | ||||
| 155 | L | 28.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | 93.2 | 88.6 | 166.9 | -71.6 | 72.5 | 0 | 0 | 0 | 121.5 | ||||
| 156 | S | 27.8 | Very low | 29.9 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | 71.3 | 143.4 | 107.8 | -67.4 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 157 | L | 27.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 69.2 | 127.8 | 148.5 | -96.8 | 64 | 0 | 0 | 0 | 118.8 | ||||
| 158 | N | 27.8 | Very low | 29.7 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | -165.3 | 174.3 | 58.9 | -98.8 | -53 | 0 | 0 | 0 | 115.8 | |||||
| 159 | K | 30.1 | Very low | 29.8 | Very low | 189 Ų | 189 | 132 Ų | 132 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -155.2 | 172.5 | 179.1 | -157.3 | 60.8 | 174 | -169.7 | 0 | 107.4 | ||||
| 160 | P | 41.2 | Very low | 29.9 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | cis | -108.3 | -122.6 | -6.2 | 20.6 | 6 | 0 | 0 | 0 | 112.2 | ||||
| 161 | R | 28.6 | Very low | 30.1 | Very low | 215 Ų | 215 | 131.7 Ų | 131.7 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | cis | -168.9 | 151.5 | -1.4 | -154.8 | -169.6 | -172.4 | -167.8 | 2.7 | 113.3 | ||||
| 162 | S | 27.6 | Very low | 30.9 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 68.5 | 158.2 | 154.4 | 16.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 163 | A | 26.8 | Very low | 29.7 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | cis | -156.8 | -171 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 164 | S | 26.8 | Very low | 30.5 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -73 | -170.9 | -175.3 | 54.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 165 | T | 25.8 | Very low | 30.7 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | cis | -175.9 | 161.5 | 42.3 | -26.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 166 | T | 28 | Very low | 30.8 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | 54.6 | 110.7 | 152.9 | 38.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 167 | S | 27.9 | Very low | 30.9 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 86.4 | 170.9 | 86.7 | 77.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 168 | S | 26.8 | Very low | 30.9 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | -148 | -156.5 | 22.8 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 169 | T | 26.6 | Very low | 31 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -118.4 | 145.1 | -168.8 | -53.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 170 | V | 30.8 | Very low | 31.1 | Very low | 143 Ų | 143 | 121 Ų | 121 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -152 | 154.7 | 146.5 | -145.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 171 | N | 31.2 | Very low | 31.4 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -127.6 | 155 | 171.3 | -98 | -33.3 | 0 | 0 | 0 | 108.9 | ||||
| 172 | P | 45.9 | Very low | 31.2 | Very low | 129 Ų | 129 | 115 Ų | 115 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | -153.7 | 176.1 | 97.4 | 39.5 | -20.5 | 0 | 0 | 0 | 116.7 | |||||
| 173 | A | 29.6 | Very low | 31.4 | Very low | 90 Ų | 90 | 118.6 Ų | 118.6 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -110.3 | 174.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 174 | P | 48.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | -154.4 | 144.5 | 107.3 | 37.8 | -19.2 | 0 | 0 | 0 | 119.2 | |||||
| 175 | S | 30 | Very low | 31.2 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 49.9 | 145.3 | 129.4 | -52.6 | 0 | 0 | 0 | 0 | 127 | |||||
| 176 | S | 31.5 | Very low | 31.3 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 85.8 | 154.6 | 148 | 77.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 177 | A | 29.5 | Very low | 31.7 | Very low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | cis | -173.2 | 166.3 | -28.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 178 | A | 29.1 | Very low | 31.9 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 66.7 | 157.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 179 | S | 27.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | cis | -164.1 | 169.9 | -17.7 | -98.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 180 | Q | 33.5 | Very low | 32.4 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -88.5 | -170.2 | 167.2 | -65 | -169.9 | -21.1 | 0 | 0 | 111.2 | ||||
| 181 | P | 46.4 | Very low | 32.3 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | cis | -140.3 | -162.1 | 1.1 | 44.7 | -24.5 | 0 | 0 | 0 | 115.5 | ||||
| 182 | G | 25 | Very low | 32.6 | Very low | 71 Ų | 71 | 120.7 Ų | 120.7 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 165.4 | 150.2 | 162 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 183 | L | 31.1 | Very low | 31.8 | Very low | 179 Ų | 179 | 122.2 Ų | 122.2 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -142.9 | 148 | 179.3 | -67 | 171.7 | 0 | 0 | 0 | 112.1 | ||||
| 184 | S | 24 | Very low | 31.7 | Very low | 131 Ų | 131 | 124 Ų | 124 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -178.3 | 172.8 | 153 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 185 | A | 27.1 | Very low | 30.8 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -152.2 | 157.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 186 | T | 27.9 | Very low | 30.7 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | 69.1 | 161.3 | 169.8 | 74.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 187 | P | 36.2 | Very low | 30.8 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -120.9 | -174 | -5.2 | 41.8 | -28 | 0 | 0 | 0 | 114.4 | ||||
| 188 | V | 30.6 | Very low | 30.8 | Very low | 132 Ų | 132 | 126 Ų | 126 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -73.6 | 155.7 | 174.3 | -70.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 189 | P | 31.1 | Very low | 31 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | -134.4 | 157.8 | 112 | 38.6 | -31.3 | 0 | 0 | 0 | 114.1 | |||||
| 190 | S | 34.7 | Very low | 31.4 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -76.2 | 120.2 | -179.9 | -54.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 191 | T | 28.1 | Very low | 31.3 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -140.5 | 129.4 | 160.6 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | Q193 | T191-Q193 HydrophobicContact CG2-CG 3.98Å; T191-Q193 PolarHBondContact O-N 3.33Å | ||
| 192 | V | 37.9 | Very low | 30.8 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 118.7 | 170.5 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 193 | Q | 27.6 | Very low | 31.4 | Very low | 162 Ų | 162 | 121.4 Ų | 121.4 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | -126.1 | 141.4 | 171 | -67.8 | -164.1 | -6.8 | 0 | 0 | 111 | T191 I195 | T191-Q193 HydrophobicContact CG2-CG 3.98Å; T191-Q193 PolarHBondContact O-N 3.33Å; Q193-I195 PolarHBondContact O-N 3.43Å | ||
| 194 | S | 28.1 | Very low | 31.6 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 88% | 0.881 | 74% | 0.737 | S | S | * | * | trans | -72.2 | 124.1 | 178.5 | -169.6 | 0 | 0 | 0 | 0 | 110.2 | G196 | S194-G196 PolarHBondContact O-N 2.88Š| ||
| 195 | I | 30.2 | Very low | 32.5 | Very low | 149 Ų | 149 | 113.6 Ų | 113.6 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | trans | -76 | 103.1 | 174.6 | 40.1 | 171.7 | 0 | 0 | 0 | 110.2 | Q193 | Q193-I195 PolarHBondContact O-N 3.43Š| ||
| 196 | G | 27.7 | Very low | 33.2 | Very low | 56 Ų | 56 | 114 Ų | 114 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | trans | -63.7 | 158.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S194 M198 | S194-G196 PolarHBondContact O-N 2.88Å; G196-M198 PolarHBondContact O-N 3.13Å | ||
| 197 | S | 32.8 | Very low | 33.9 | Very low | 131 Ų | 131 | 110.2 Ų | 110.2 | 92% | 0.916 | 69% | 0.691 | S | S | * | * | trans | -55.7 | 103.2 | -171.5 | -55.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 198 | M | 29 | Very low | 34.3 | Very low | 146 Ų | 146 | 107.5 Ų | 107.5 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | trans | -90.7 | 118.2 | 166.7 | -60.3 | -174.8 | -170.9 | 0 | 0 | 109.2 | G196 L200 | G196-M198 PolarHBondContact O-N 3.13Å; M198-L200 PolarHBondContact O-N 2.7Å; M198-L200 VanDerWaalsContact O-N 3.13Å | ||
| 199 | V | 35 | Very low | 34.7 | Very low | 145 Ų | 145 | 109.5 Ų | 109.5 | 88% | 0.879 | 67% | 0.673 | S | S | * | * | trans | -76.8 | 99.3 | 172.4 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 200 | L | 35.7 | Very low | 35.2 | Very low | 98 Ų | 98 | 105.4 Ų | 105.4 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 131.7 | 177.3 | -68.8 | 174.4 | 0 | 0 | 0 | 110.8 | M198 L206 | M198-L200 PolarHBondContact O-N 2.7Å; M198-L200 VanDerWaalsContact O-N 3.13Å; L200-L206 HydrophobicContact CD1-CD1 4.45Å |
| 201 | S | 30.7 | Very low | 35.2 | Very low | 86 Ų | 86 | 105.1 Ų | 105.1 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 147.2 | 172.9 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | G203 S204 | S201-G203 PolarHBondContact O-N 3.21Å; S201-S204 WeakPolarHBondContact O-CB 3.23Å; S201-S204 PolarHBondContact O-N 2.99Å; S201-S204 PolarHBondContact O-OG 3.13Å |
| 202 | P | 35.6 | Very low | 35.8 | Very low | 105 Ų | 105 | 103.8 Ų | 103.8 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 136.3 | 178.4 | 25.3 | -34.5 | 0 | 0 | 0 | 111.1 | T222 | P202-T222 WeakPolarHBondContact CB-OG1 3.41Š|
| 203 | G | 38.8 | Very low | 36 | Very low | 64 Ų | 64 | 100 Ų | 100 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.6 | 0.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S201 I205 | S201-G203 PolarHBondContact O-N 3.21Å; G203-I205 PolarHBondContact O-N 2.98Å |
| 204 | S | 34.9 | Very low | 36.5 | Very low | 42 Ų | 42 | 98.2 Ų | 98.2 | 29% | 0.294 | 65% | 0.648 | S | S | . | * | trans | -62.8 | 128 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | S201 | S201-S204 WeakPolarHBondContact O-CB 3.23Å; S201-S204 PolarHBondContact O-N 2.99Å; S201-S204 PolarHBondContact O-OG 3.13Å | ||
| 205 | I | 43.7 | Very low | 36.9 | Very low | 104 Ų | 104 | 98 Ų | 98 | 53% | 0.533 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.4 | 173.5 | -57.1 | 176 | 0 | 0 | 0 | 108.5 | G203 L217 V219 | G203-I205 PolarHBondContact O-N 2.98Å; I205-L217 HydrophobicContact CG2-CD1 3.49Å; I205-L217 VanDerWaalsContact CG2-CD1 3.49Å; I205-L217 HydrophobicContact CG2-CD2 4.12Å; I205-L217 HydrophobicContact CG2-CG 3.65Å; I205-V219 HydrophobicContact CG2-CG2 4.43Å |
| 206 | L | 41.3 | Very low | 37.5 | Very low | 94 Ų | 94 | 94.1 Ų | 94.1 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 113.2 | 174.6 | -134.4 | 76 | 0 | 0 | 0 | 110.1 | L200 H218 | L200-L206 HydrophobicContact CD1-CD1 4.45Å; L206-H218 HydrophobicContact CB-CB 4.38Å; L206-H218 PolarHBondContact N-O 3.17Å; L206-H218 VanDerWaalsContact N-O 3.13Å; L206-H218 PolarHBondContact O-N 3.24Å |
| 207 | A | 41.9 | Very low | 38.1 | Very low | 58 Ų | 58 | 94.7 Ų | 94.7 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 122.1 | 170 | 0 | 0 | 0 | 0 | 0 | 109.4 | I216 L217 | A207-I216 WeakPolarHBondContact CA-O 3.43Å; A207-L217 HydrophobicContact CB-CD1 3.89Å |
| 208 | T | 45.6 | Very low | 38.5 | Very low | 61 Ų | 61 | 92.3 Ų | 92.3 | 37% | 0.374 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.5 | 171.2 | 57 | 0 | 0 | 0 | 0 | 110 | G210 I216 | T208-G210 PolarHBondContact O-N 3Å; T208-I216 PolarHBondContact N-O 3.44Å; T208-I216 PolarHBondContact O-N 3.38Å |
| 209 | Q | 38.4 | Very low | 39.1 | Very low | 175 Ų | 175 | 87.6 Ų | 87.6 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 104.1 | -176.3 | -168.4 | 173.7 | 25.2 | 0 | 0 | 109.8 | ||
| 210 | G | 40.6 | Very low | 39.4 | Very low | 29 Ų | 29 | 85.7 Ų | 85.7 | 30% | 0.299 | 54% | 0.539 | S | S | . | . | trans | -74.1 | 137.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | T208 G212 G213 Q214 | T208-G210 PolarHBondContact O-N 3Å; G210-G212 PolarHBondContact O-N 3.48Å; G210-G212 VanDerWaalsContact O-N 3.13Å; G210-G213 PolarHBondContact O-N 3.19Å; G210-Q214 PolarHBondContact N-O 3.39Å | ||
| 211 | A | 36 | Very low | 39.5 | Very low | 120 Ų | 120 | 88.2 Ų | 88.2 | 99% | 0.992 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 114.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 212 | G | 40.9 | Very low | 39.7 | Very low | 78 Ų | 78 | 88.4 Ų | 88.4 | 80% | 0.804 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 125.1 | 1.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G210 Q214 | G210-G212 PolarHBondContact O-N 3.48Å; G210-G212 VanDerWaalsContact O-N 3.13Å; G212-Q214 VanDerWaalsContact C-N 3.33Å; G212-Q214 PolarHBondContact O-N 3.28Å |
| 213 | G | 42.3 | Very low | 39.7 | Very low | 72 Ų | 72 | 90.6 Ų | 90.6 | 74% | 0.742 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 84.5 | 1.4 | 171 | 0 | 0 | 0 | 0 | 0 | 115.3 | G210 | G210-G213 PolarHBondContact O-N 3.19Š|
| 214 | Q | 36.9 | Very low | 39.3 | Very low | 124 Ų | 124 | 92.8 Ų | 92.8 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 127.1 | 173 | -63.4 | -179.9 | 8.1 | 0 | 0 | 110.1 | G210 G212 | G210-Q214 PolarHBondContact N-O 3.39Å; G212-Q214 VanDerWaalsContact C-N 3.33Å; G212-Q214 PolarHBondContact O-N 3.28Å |
| 215 | Q | 37 | Very low | 39 | Very low | 121 Ų | 121 | 96.5 Ų | 96.5 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.5 | 167 | -65.8 | -173.4 | 48.3 | 0 | 0 | 108.4 | ||
| 216 | I | 42 | Very low | 38.4 | Very low | 67 Ų | 67 | 97.4 Ų | 97.4 | 34% | 0.344 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.9 | 176.7 | -56.6 | 177.6 | 0 | 0 | 0 | 107.5 | A207 T208 H218 | A207-I216 WeakPolarHBondContact CA-O 3.43Å; T208-I216 PolarHBondContact N-O 3.44Å; T208-I216 PolarHBondContact O-N 3.38Å; I216-H218 WeakPolarHBondContact CG2-NE2 3.44Å |
| 217 | L | 40.9 | Very low | 37.8 | Very low | 68 Ų | 68 | 97.9 Ų | 97.9 | 36% | 0.356 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 104.2 | -175 | -157.1 | 76.2 | 0 | 0 | 0 | 110.4 | I205 A207 V219 | I205-L217 HydrophobicContact CG2-CD1 3.49Å; I205-L217 VanDerWaalsContact CG2-CD1 3.49Å; I205-L217 HydrophobicContact CG2-CD2 4.12Å; I205-L217 HydrophobicContact CG2-CG 3.65Å; A207-L217 HydrophobicContact CB-CD1 3.89Å; L217-V219 HydrophobicContact CD2-CG2 4.29Å; L217-V219 HydrophobicContact CG-CG2 4.41Å |
| 218 | H | 42.3 | Very low | 37.2 | Very low | 82 Ų | 82 | 102.6 Ų | 102.6 | 38% | 0.38 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 112.2 | 175.3 | -68.5 | -84.5 | 0 | 0 | 0 | 110.1 | L206 I216 | L206-H218 HydrophobicContact CB-CB 4.38Å; L206-H218 PolarHBondContact N-O 3.17Å; L206-H218 VanDerWaalsContact N-O 3.13Å; L206-H218 PolarHBondContact O-N 3.24Å; I216-H218 WeakPolarHBondContact CG2-NE2 3.44Å |
| 219 | V | 41.3 | Very low | 36.5 | Very low | 46 Ų | 46 | 105.7 Ų | 105.7 | 28% | 0.279 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 112.3 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 109 | I205 L217 Y249 | I205-V219 HydrophobicContact CG2-CG2 4.43Å; L217-V219 HydrophobicContact CD2-CG2 4.29Å; L217-V219 HydrophobicContact CG-CG2 4.41Å; V219-Y249 HydrophobicContact CB-CE2 4.39Å; V219-Y249 HydrophobicContact CG2-CE2 4.21Å |
| 220 | I | 40.6 | Very low | 36.2 | Very low | 105 Ų | 105 | 102.6 Ų | 102.6 | 54% | 0.538 | 63% | 0.633 | S | S | . | * | trans | -98 | 103.5 | -179.2 | -56.6 | 177 | 0 | 0 | 0 | 109.3 | T222 | I220-T222 PolarHBondContact O-N 3.13Š| ||
| 221 | H | 37 | Very low | 36.3 | Very low | 152 Ų | 152 | 109 Ų | 109 | 70% | 0.704 | 65% | 0.653 | S | S | * | * | trans | -82.2 | 99.4 | 173 | -77.9 | -78.8 | 0 | 0 | 0 | 111.3 | I223 | H221-I223 PolarHBondContact O-N 3.19Š| ||
| 222 | T | 35.3 | Very low | 36.5 | Very low | 90 Ų | 90 | 110.2 Ų | 110.2 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | trans | -75 | 106.5 | 167.2 | 52.6 | 0 | 0 | 0 | 0 | 110 | P202 I220 | P202-T222 WeakPolarHBondContact CB-OG1 3.41Å; I220-T222 PolarHBondContact O-N 3.13Å | ||
| 223 | I | 35.5 | Very low | 36.7 | Very low | 151 Ų | 151 | 110 Ų | 110 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 129.9 | 171.4 | -58.8 | 174.1 | 0 | 0 | 0 | 108.3 | H221 | H221-I223 PolarHBondContact O-N 3.19Š|
| 224 | P | 30.9 | Very low | 36.3 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 135.9 | 176.8 | 27.2 | -34.1 | 0 | 0 | 0 | 110.9 | V226 | P224-V226 PolarHBondContact O-N 2.94Š|
| 225 | S | 28.9 | Very low | 36.3 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 84% | 0.839 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -64 | 127.3 | 178.2 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | S227 | S225-S227 PolarHBondContact O-N 3.1Š|
| 226 | V | 30.3 | Very low | 36.2 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 75% | 0.745 | 68% | 0.677 | S | S | * | * | trans | -87.9 | 100.8 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | P224 | P224-V226 PolarHBondContact O-N 2.94Š| ||
| 227 | S | 28.3 | Very low | 35.7 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | trans | -70.9 | 128.9 | 177.8 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | S225 | S225-S227 PolarHBondContact O-N 3.1Š| ||
| 228 | M | 29.9 | Very low | 35.2 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -105.5 | 125.1 | 171 | -72.7 | -69 | -171.7 | 0 | 0 | 109.4 | S230 | M228-S230 PolarHBondContact O-N 3.23Š| ||
| 229 | P | 30.4 | Very low | 34.6 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -78.9 | 108.3 | 178.6 | 30.6 | -32.8 | 0 | 0 | 0 | 111.1 | ||||
| 230 | S | 32.5 | Very low | 33.9 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -82 | 141.4 | 165.3 | -166.9 | 0 | 0 | 0 | 0 | 110.8 | M228 | M228-S230 PolarHBondContact O-N 3.23Š| ||
| 231 | K | 43.3 | Very low | 33.3 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -72.9 | 161.3 | 157.5 | -84.4 | 179 | 174.6 | 174.4 | 0 | 109.4 | ||
| 232 | V | 39 | Very low | 33.1 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 68.8 | 125.9 | -170.4 | -168.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 233 | G | 45.2 | Very low | 33 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -101.7 | 103.9 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 234 | Q | 35.8 | Very low | 33.2 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -160.1 | 129.4 | 142.8 | -110 | 175.8 | 12.7 | 0 | 0 | 109.3 | Q236 | Q234-Q236 PolarHBondContact O-N 3.47Š| ||
| 235 | L | 36.7 | Very low | 33.5 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -81.5 | 98.2 | 174 | -82.2 | 81.9 | 0 | 0 | 0 | 109.8 | ||||
| 236 | Q | 33.9 | Very low | 33.9 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -89.5 | 106.7 | 155.8 | -83.2 | -164.7 | -9.3 | 0 | 0 | 109.7 | Q234 I238 | Q234-Q236 PolarHBondContact O-N 3.47Å; Q236-I238 PolarHBondContact O-N 2.91Å | ||
| 237 | T | 32.4 | Very low | 34.4 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -76.7 | 99.3 | 176.8 | -35 | 0 | 0 | 0 | 0 | 109.8 | P239 | T237-P239 VanDerWaalsContact O-CD 3.29Å; T237-P239 WeakPolarHBondContact O-CD 3.47Å | ||
| 238 | I | 29.5 | Very low | 34.9 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -79.9 | 115.1 | 172.7 | -58.4 | 177.5 | 0 | 0 | 0 | 108.8 | Q236 V240 | Q236-I238 PolarHBondContact O-N 2.91Å; I238-V240 PolarHBondContact O-N 3.46Å | ||
| 239 | P | 28.9 | Very low | 35.3 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | trans | -78 | 94.1 | 179.3 | 31.6 | -33.6 | 0 | 0 | 0 | 110.5 | T237 V241 | T237-P239 VanDerWaalsContact O-CD 3.29Å; T237-P239 WeakPolarHBondContact O-CD 3.47Å; P239-V241 PolarHBondContact O-N 2.85Å | ||
| 240 | V | 26.8 | Very low | 35.6 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 71% | 0.709 | 73% | 0.725 | S | S | * | * | trans | -71.4 | 94.1 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | I238 V242 | I238-V240 PolarHBondContact O-N 3.46Å; V240-V242 VanDerWaalsContact C-N 3.29Å; V240-V242 HydrophobicContact CG1-CG2 4.08Å; V240-V242 PolarHBondContact O-N 2.88Å | ||
| 241 | V | 29.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 76% | 0.758 | 72% | 0.715 | S | S | * | * | trans | -72.7 | 85.4 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | P239 Q243 | P239-V241 PolarHBondContact O-N 2.85Å; V241-Q243 PolarHBondContact O-N 3.21Å | ||
| 242 | V | 32.9 | Very low | 35.4 | Very low | 115 Ų | 115 | 124 Ų | 124 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | trans | -64.5 | 113.9 | 166.6 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | V240 S244 | V240-V242 VanDerWaalsContact C-N 3.29Å; V240-V242 HydrophobicContact CG1-CG2 4.08Å; V240-V242 PolarHBondContact O-N 2.88Å; V242-S244 PolarHBondContact O-N 3.39Å; V242-S244 VanDerWaalsContact O-N 3.16Å | ||
| 243 | Q | 32.2 | Very low | 35.6 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -63.2 | 118.2 | 177.7 | -76 | -174.8 | -18.5 | 0 | 0 | 110.3 | V241 L245 | V241-Q243 PolarHBondContact O-N 3.21Å; Q243-L245 PolarHBondContact O-N 3.37Å | ||
| 244 | S | 40.6 | Very low | 35.6 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | trans | -63.2 | 103.5 | 178.8 | -54 | 0 | 0 | 0 | 0 | 111.1 | V242 P246 | V242-S244 PolarHBondContact O-N 3.39Å; V242-S244 VanDerWaalsContact O-N 3.16Å; S244-P246 WeakPolarHBondContact O-CD 3.5Å | ||
| 245 | L | 37.4 | Very low | 35.9 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -66.8 | 122.8 | 171.7 | -70.2 | 173.3 | 0 | 0 | 0 | 109.6 | Q243 V247 | Q243-L245 PolarHBondContact O-N 3.37Å; L245-V247 PolarHBondContact O-N 2.9Å | ||
| 246 | P | 37.1 | Very low | 36.2 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | trans | -75.2 | 108.3 | -178.5 | 29.2 | -33.4 | 0 | 0 | 0 | 110.9 | S244 V248 | S244-P246 WeakPolarHBondContact O-CD 3.5Å; P246-V248 PolarHBondContact O-N 2.89Å | ||
| 247 | V | 40.6 | Very low | 36.6 | Very low | 81 Ų | 81 | 117.4 Ų | 117.4 | 49% | 0.491 | 70% | 0.698 | S | S | . | * | trans | -78.1 | 109 | 168.1 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L245 Y249 | L245-V247 PolarHBondContact O-N 2.9Å; V247-Y249 HydrophobicContact CB-CE2 4.33Å; V247-Y249 HydrophobicContact CG1-CD2 4.3Å; V247-Y249 HydrophobicContact CG1-CE1 4.36Å; V247-Y249 HydrophobicContact CG1-CE2 3.71Å | ||
| 248 | V | 38.8 | Very low | 36.8 | Very low | 100 Ų | 100 | 116 Ų | 116 | 61% | 0.606 | 70% | 0.699 | S | S | * | * | trans | -93.1 | 112.3 | 179.1 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | P246 T250 | P246-V248 PolarHBondContact O-N 2.89Å; V248-T250 HydrophobicContact CG1-CG2 4.43Å | ||
| 249 | Y | 37.8 | Very low | 37.4 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 42% | 0.424 | 69% | 0.689 | S | S | . | * | trans | -87.7 | 127.2 | 170.1 | -62.9 | -86.1 | 0 | 0 | 0 | 109.9 | V219 V247 | V219-Y249 HydrophobicContact CB-CE2 4.39Å; V219-Y249 HydrophobicContact CG2-CE2 4.21Å; V247-Y249 HydrophobicContact CB-CE2 4.33Å; V247-Y249 HydrophobicContact CG1-CD2 4.3Å; V247-Y249 HydrophobicContact CG1-CE1 4.36Å; V247-Y249 HydrophobicContact CG1-CE2 3.71Å | ||
| 250 | T | 37.3 | Very low | 38.1 | Very low | 108 Ų | 108 | 111 Ų | 111 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | trans | -109.2 | 135 | 170.7 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | V248 | V248-T250 HydrophobicContact CG1-CG2 4.43Š| ||
| 251 | T | 39.2 | Very low | 38.9 | Very low | 93 Ų | 93 | 107 Ų | 107 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | trans | -86.1 | 143 | -175.5 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 252 | M | 32.8 | Very low | 40 | Very low | 110 Ų | 110 | 105.7 Ų | 105.7 | 54% | 0.542 | 65% | 0.646 | S | S | . | * | trans | -76.7 | 153.3 | 174.9 | -65 | -71.2 | -76.7 | 0 | 0 | 111.9 | ||||
| 253 | P | 42.2 | Very low | 40.6 | Very low | 112 Ų | 112 | 103.6 Ų | 103.6 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | trans | -69.5 | 174.8 | 162.7 | 32.6 | -35.3 | 0 | 0 | 0 | 111.6 | D255 | P253-D255 PolarHBondContact O-N 3.31Š| ||
| 254 | T | 44.9 | Very low | 41.3 | Very low | 139 Ų | 139 | 98.4 Ų | 98.4 | 85% | 0.853 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -72.1 | 89.3 | -170.9 | 50.7 | 0 | 0 | 0 | 0 | 114 | ||
| 255 | D | 41.7 | Very low | 41.5 | Very low | 154 Ų | 154 | 97.2 Ų | 97.2 | 82% | 0.824 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -159 | 79.5 | 157.9 | -99.8 | -35.5 | 0 | 0 | 0 | 112.8 | P253 V257 | P253-D255 PolarHBondContact O-N 3.31Å; D255-V257 VanDerWaalsContact C-N 3.27Å; D255-V257 PolarHBondContact O-N 3.34Å |
| 256 | G | 44.9 | Very low | 41.8 | Very low | 91 Ų | 91 | 93.9 Ų | 93.9 | 94% | 0.938 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 64.7 | -27.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 257 | V | 40.5 | Very low | 42.2 | Very low | 107 Ų | 107 | 94.6 Ų | 94.6 | 65% | 0.648 | 58% | 0.582 | S | S | * | * | trans | -131.1 | 107.8 | -165.8 | -171 | 0 | 0 | 0 | 0 | 111.8 | D255 T259 | D255-V257 VanDerWaalsContact C-N 3.27Å; D255-V257 PolarHBondContact O-N 3.34Å; V257-T259 HydrophobicContact CG1-CG2 4.4Å; V257-T259 PolarHBondContact O-N 3.19Å | ||
| 258 | A | 36.5 | Very low | 42.4 | Very low | 96 Ų | 96 | 91.2 Ų | 91.2 | 79% | 0.793 | 56% | 0.564 | S | S | * | * | trans | -81.8 | 78.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A260 | A258-A260 PolarHBondContact O-N 3.3Š| ||
| 259 | T | 42.2 | Very low | 42.6 | Very low | 81 Ų | 81 | 93.2 Ų | 93.2 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | trans | -72.9 | 89.7 | 167.6 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | V257 A261 | V257-T259 HydrophobicContact CG1-CG2 4.4Å; V257-T259 PolarHBondContact O-N 3.19Å; T259-A261 PolarHBondContact O-N 3.13Å | ||
| 260 | A | 44.8 | Very low | 42.8 | Very low | 60 Ų | 60 | 93.5 Ų | 93.5 | 50% | 0.496 | 59% | 0.591 | S | S | . | * | trans | -57.4 | 133.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A258 P281 | A258-A260 PolarHBondContact O-N 3.3Å; A260-P281 WeakPolarHBondContact O-CD 3.48Å | ||
| 261 | A | 43.9 | Very low | 43 | Very low | 32 Ų | 32 | 91.2 Ų | 91.2 | 26% | 0.264 | 59% | 0.589 | S | S | . | * | trans | -129.1 | 112.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | T259 T263 R278 | T259-A261 PolarHBondContact O-N 3.13Å; A261-T263 PolarHBondContact O-N 3.09Å; A261-R278 HydrophobicContact CB-CG 3.93Å | ||
| 262 | I | 50.9 | Low | 43.2 | Very low | 97 Ų | 97 | 95.9 Ų | 95.9 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 109.4 | -179.2 | -53.4 | 175.8 | 0 | 0 | 0 | 107.8 | V264 V277 R278 I279 | I262-V264 HydrophobicContact CG2-CG2 3.94Å; I262-V277 VanDerWaalsContact O-O 3.12Å; I262-R278 WeakPolarHBondContact O-CA 3.25Å; I262-I279 HydrophobicContact CB-CB 4.4Å; I262-I279 PolarHBondContact N-O 3.48Å; I262-I279 PolarHBondContact O-N 2.88Å |
| 263 | T | 45.8 | Very low | 43.8 | Very low | 71 Ų | 71 | 95.4 Ų | 95.4 | 44% | 0.436 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 107.1 | 174 | -59 | 0 | 0 | 0 | 0 | 109.4 | A261 S276 V277 | A261-T263 PolarHBondContact O-N 3.09Å; T263-S276 WeakPolarHBondContact CG2-OG 3.41Å; T263-V277 WeakPolarHBondContact CA-O 3.29Å |
| 264 | V | 48.1 | Very low | 44 | Very low | 64 Ų | 64 | 96.7 Ų | 96.7 | 39% | 0.388 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 115.5 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | I262 S276 V277 | I262-V264 HydrophobicContact CG2-CG2 3.94Å; V264-S276 CarbonylContact O-C 3.5Å; V264-S276 VanDerWaalsContact O-CA 3.24Å; V264-S276 WeakPolarHBondContact O-CA 3.45Å; V264-S276 WeakPolarHBondContact O-CB 3.2Å; V264-V277 PolarHBondContact N-O 3.19Å; V264-V277 PolarHBondContact O-N 3.39Å |
| 265 | P | 44.3 | Very low | 44.3 | Very low | 83 Ų | 83 | 91.9 Ų | 91.9 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.1 | 171.7 | 29.4 | -32.9 | 0 | 0 | 0 | 110 | ||
| 266 | L | 42.5 | Very low | 44.4 | Very low | 81 Ų | 81 | 87.8 Ų | 87.8 | 42% | 0.424 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 118.3 | 173.1 | -62.4 | -176.6 | 0 | 0 | 0 | 108.8 | S273 E274 G275 V277 | L266-S273 WeakPolarHBondContact O-CA 3.49Å; L266-E274 PolarHBondContact O-N 2.86Å; L266-G275 PolarHBondContact N-O 3.41Å; L266-V277 HydrophobicContact CD1-CG2 3.83Å; L266-V277 HydrophobicContact CG-CG2 4.21Å |
| 267 | I | 46.3 | Very low | 44.3 | Very low | 118 Ų | 118 | 84.6 Ų | 84.6 | 61% | 0.605 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121 | 178.2 | -57.6 | 173.6 | 0 | 0 | 0 | 107.7 | ||
| 268 | G | 44.2 | Very low | 44.5 | Very low | 10 Ų | 10 | 86.3 Ų | 86.3 | 10% | 0.103 | 52% | 0.519 | C | S | . | . | trans | -66.9 | 159.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D270 G271 R272 | G268-D270 PolarHBondContact O-N 3.49Å; G268-G271 PolarHBondContact O-N 3.46Å; G268-R272 PolarHBondContact N-O 3.47Å | ||
| 269 | S | 43.2 | Very low | 44.9 | Very low | 142 Ų | 142 | 85.7 Ų | 85.7 | 99% | 0.993 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 8.3 | 177.8 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 270 | D | 41.9 | Very low | 44.7 | Very low | 114 Ų | 114 | 88 Ų | 88 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -4 | 169.9 | 71.1 | -28 | 0 | 0 | 0 | 112.9 | G268 R272 | G268-D270 PolarHBondContact O-N 3.49Å; D270-R272 PolarHBondContact OD1-N 3.45Å; D270-R272 VanDerWaalsContact OD1-N 3.15Å |
| 271 | G | 43 | Very low | 44.4 | Very low | 61 Ų | 61 | 90 Ų | 90 | 63% | 0.629 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 86.4 | 9.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | G268 | G268-G271 PolarHBondContact O-N 3.46Š|
| 272 | R | 41.8 | Very low | 44.3 | Very low | 190 Ų | 190 | 92.5 Ų | 92.5 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | trans | -95.7 | 151.9 | 172.2 | -77.2 | -178.1 | 164.2 | -174.3 | -4.9 | 112.2 | G268 D270 | G268-R272 PolarHBondContact N-O 3.47Å; D270-R272 PolarHBondContact OD1-N 3.45Å; D270-R272 VanDerWaalsContact OD1-N 3.15Å | ||
| 273 | S | 47.2 | Very low | 43.5 | Very low | 101 Ų | 101 | 91.9 Ų | 91.9 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 116.7 | 174.5 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | L266 G275 | L266-S273 WeakPolarHBondContact O-CA 3.49Å; S273-G275 VanDerWaalsContact C-N 3.32Å |
| 274 | E | 45.8 | Very low | 43.1 | Very low | 138 Ų | 138 | 96 Ų | 96 | 65% | 0.645 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 17.6 | 178.8 | -61.1 | -162.7 | 110.4 | 0 | 0 | 112.9 | L266 | L266-E274 PolarHBondContact O-N 2.86Å |
| 275 | G | 50 | Low | 42.2 | Very low | 39 Ų | 39 | 97.4 Ų | 97.4 | 40% | 0.402 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 116.4 | -164.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L266 S273 | L266-G275 PolarHBondContact N-O 3.41Å; S273-G275 VanDerWaalsContact C-N 3.32Å |
| 276 | S | 43.6 | Very low | 42 | Very low | 68 Ų | 68 | 98.7 Ų | 98.7 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.2 | 175.1 | 72.9 | 0 | 0 | 0 | 0 | 112 | T263 V264 | T263-S276 WeakPolarHBondContact CG2-OG 3.41Å; V264-S276 CarbonylContact O-C 3.5Å; V264-S276 VanDerWaalsContact O-CA 3.24Å; V264-S276 WeakPolarHBondContact O-CA 3.45Å; V264-S276 WeakPolarHBondContact O-CB 3.2Å |
| 277 | V | 43.4 | Very low | 41.9 | Very low | 23 Ų | 23 | 99 Ų | 99 | 14% | 0.139 | 60% | 0.597 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.3 | 179.8 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | I262 T263 V264 L266 I279 V287 | I262-V277 VanDerWaalsContact O-O 3.12Å; T263-V277 WeakPolarHBondContact CA-O 3.29Å; V264-V277 PolarHBondContact N-O 3.19Å; V264-V277 PolarHBondContact O-N 3.39Å; L266-V277 HydrophobicContact CD1-CG2 3.83Å; L266-V277 HydrophobicContact CG-CG2 4.21Å; V277-I279 HydrophobicContact CG1-CG1 4.08Å; V277-V287 HydrophobicContact CG1-CG1 3.89Å; V277-V287 HydrophobicContact CG1-CG2 4Å |
| 278 | R | 44.8 | Very low | 41.2 | Very low | 144 Ų | 144 | 100.1 Ų | 100.1 | 54% | 0.543 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 108.7 | -177.9 | -162.9 | 175 | -164.4 | -163.6 | 1.4 | 110.9 | A261 I262 | A261-R278 HydrophobicContact CB-CG 3.93Å; I262-R278 WeakPolarHBondContact O-CA 3.25Å |
| 279 | I | 44.7 | Very low | 40.6 | Very low | 82 Ų | 82 | 107.2 Ų | 107.2 | 42% | 0.421 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.8 | -175.5 | -52.3 | 178 | 0 | 0 | 0 | 110.2 | I262 V277 | I262-I279 HydrophobicContact CB-CB 4.4Å; I262-I279 PolarHBondContact N-O 3.48Å; I262-I279 PolarHBondContact O-N 2.88Å; V277-I279 HydrophobicContact CG1-CG1 4.08Å |
| 280 | K | 38.1 | Very low | 40 | Very low | 130 Ų | 130 | 107.7 Ų | 107.7 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 133.8 | 170.2 | -63.7 | 164.3 | -176.3 | 157.8 | 0 | 109.1 | E288 | K280-E288 IonicContact NZ-OE2 3.1Å; K280-E288 PolarHBondContact NZ-OE2 2.7Å |
| 281 | P | 38.7 | Very low | 39.4 | Very low | 101 Ų | 101 | 106.4 Ų | 106.4 | 66% | 0.656 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 129.7 | 176.1 | 28.4 | -34 | 0 | 0 | 0 | 111.2 | A260 | A260-P281 WeakPolarHBondContact O-CD 3.48Š|
| 282 | G | 42.4 | Very low | 38.8 | Very low | 85 Ų | 85 | 110.5 Ų | 110.5 | 88% | 0.876 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.2 | -13.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 283 | S | 33.2 | Very low | 38.6 | Very low | 85 Ų | 85 | 107 Ų | 107 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | trans | -106.8 | 125.2 | -174.7 | 56.5 | 0 | 0 | 0 | 0 | 114 | S285 | S283-S285 PolarHBondContact O-N 3.06Š| ||
| 284 | T | 38.1 | Very low | 37.8 | Very low | 157 Ų | 157 | 110 Ų | 110 | 96% | 0.963 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -86 | 41.2 | 174.6 | 46.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 285 | S | 30.2 | Very low | 37.1 | Very low | 93 Ų | 93 | 107.7 Ų | 107.7 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -153.8 | 150.9 | 177.2 | -156.7 | 0 | 0 | 0 | 0 | 110.1 | S283 | S283-S285 PolarHBondContact O-N 3.06Š|
| 286 | P | 38.7 | Very low | 36.2 | Very low | 110 Ų | 110 | 114 Ų | 114 | 71% | 0.714 | 66% | 0.655 | S | S | * | * | trans | -92.4 | 135.7 | -161.1 | 34 | -34.2 | 0 | 0 | 0 | 116 | ||||
| 287 | V | 39.9 | Very low | 35.7 | Very low | 88 Ų | 88 | 115.8 Ų | 115.8 | 53% | 0.533 | 67% | 0.667 | S | S | . | * | trans | 52.6 | 108.9 | 140.2 | -174.5 | 0 | 0 | 0 | 0 | 118.4 | V277 | V277-V287 HydrophobicContact CG1-CG1 3.89Å; V277-V287 HydrophobicContact CG1-CG2 4Å | ||
| 288 | E | 33 | Very low | 35.1 | Very low | 142 Ų | 142 | 117.4 Ų | 117.4 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | trans | -75.6 | 134.7 | 149.6 | -63.2 | -178.3 | 93.5 | 0 | 0 | 109.5 | K280 | K280-E288 IonicContact NZ-OE2 3.1Å; K280-E288 PolarHBondContact NZ-OE2 2.7Å | ||
| 289 | Y | 30.6 | Very low | 34.5 | Very low | 159 Ų | 159 | 117.1 Ų | 117.1 | 62% | 0.624 | 70% | 0.703 | S | S | * | * | trans | -112.7 | 108.5 | 173.6 | -178.7 | -100.9 | 0 | 0 | 0 | 108.4 | S291 | Y289-S291 WeakPolarHBondContact CE1-OG 3.49Š| ||
| 290 | Q | 30.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | trans | -88.7 | 145.5 | 174.1 | -66.3 | -173.5 | -89 | 0 | 0 | 110.1 | ||||
| 291 | S | 30.4 | Very low | 33.4 | Very low | 87 Ų | 87 | 121.1 Ų | 121.1 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -139.9 | 107.2 | 175.6 | -62.8 | 0 | 0 | 0 | 0 | 108.3 | Y289 S293 | Y289-S291 WeakPolarHBondContact CE1-OG 3.49Å; S291-S293 PolarHBondContact O-N 2.87Å | ||
| 292 | D | 29.6 | Very low | 33 | Very low | 146 Ų | 146 | 120 Ų | 120 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -82.9 | 105.5 | 178.2 | -60.6 | -70 | 0 | 0 | 0 | 110.1 | ||||
| 293 | S | 36.8 | Very low | 32.6 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -163.9 | 110.3 | 163.6 | -74.4 | 0 | 0 | 0 | 0 | 108.6 | S291 | S291-S293 PolarHBondContact O-N 2.87Š| ||
| 294 | D | 31.9 | Very low | 32.2 | Very low | 164 Ų | 164 | 123 Ų | 123 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -75.1 | 145.1 | -166.8 | -49 | -103.8 | 0 | 0 | 0 | 114.8 | ||||
| 295 | A | 31.2 | Very low | 31.9 | Very low | 89 Ų | 89 | 121 Ų | 121 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | -177.6 | 134.1 | 119.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 296 | E | 30.3 | Very low | 31.9 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 37.7 | 92.9 | 148.7 | -61.3 | -66.6 | 79.4 | 0 | 0 | 117.3 | ||||
| 297 | S | 32.5 | Very low | 31.5 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | 79.5 | 136.5 | 88 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 298 | G | 30.6 | Very low | 31.1 | Very low | 58 Ų | 58 | 125.3 Ų | 125.3 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | cis | 176.2 | 161.7 | -8.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 299 | T | 32.3 | Very low | 31 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 59.4 | 141.5 | 172 | 43 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 300 | E | 29.8 | Very low | 31.4 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | cis | -157.3 | 171.2 | -3.5 | 54.4 | -163.7 | 96.1 | 0 | 0 | 111.2 | ||||
| 301 | S | 31.5 | Very low | 31.7 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -88.3 | 138.3 | -179.7 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 302 | G | 30 | Very low | 31.7 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -179.9 | 86.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | A304 | G302-A304 PolarHBondContact O-N 3.47Š| ||
| 303 | S | 32.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 92% | 0.923 | 81% | 0.813 | S | S | * | * | trans | -81.2 | 109.7 | 159.2 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 304 | A | 26.8 | Very low | 32.3 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -126.7 | 136.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G302 | G302-A304 PolarHBondContact O-N 3.47Š| ||
| 305 | S | 30.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -91.7 | 139 | 179 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 306 | L | 31.5 | Very low | 33 | Very low | 173 Ų | 173 | 125.1 Ų | 125.1 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | 38.7 | 99.5 | 144.9 | -58.4 | 175.4 | 0 | 0 | 0 | 118.7 | ||||
| 307 | S | 29 | Very low | 33.3 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -158.3 | 126.5 | 132.7 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 308 | A | 31.8 | Very low | 33.5 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -23.8 | 139.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 309 | Q | 31.9 | Very low | 34.2 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | -165.3 | 166.6 | 98.8 | -103.3 | 155.7 | 105.1 | 0 | 0 | 114 | |||||
| 310 | S | 37.5 | Very low | 34.8 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -90.3 | 142.5 | -176.3 | 51 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 311 | I | 36.7 | Very low | 35.6 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | trans | -139.8 | 165.7 | 158.1 | 27.2 | 174.2 | 0 | 0 | 0 | 109.7 | ||||
| 312 | D | 31.6 | Very low | 36.1 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -97.5 | 177.1 | -144.4 | -163.8 | -144.7 | 0 | 0 | 0 | 116.3 | ||||
| 313 | A | 37.4 | Very low | 36.8 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -42.9 | 150.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 314 | G | 41.9 | Very low | 37.6 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 100.2 | 81.3 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 315 | S | 35.2 | Very low | 38.7 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -138.5 | 149.5 | 147.8 | -165.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 316 | V | 42.2 | Very low | 39.7 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | -78.9 | 132.7 | -172.4 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | D318 | V316-D318 PolarHBondContact O-N 3.37Š| ||
| 317 | I | 36.6 | Very low | 40.8 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | -83.8 | 90.3 | 169.9 | -42.5 | 176.4 | 0 | 0 | 0 | 107.8 | L319 | I317-L319 HydrophobicContact CG2-CD1 4.4Å; I317-L319 HydrophobicContact CG2-CD2 4.47Å; I317-L319 HydrophobicContact CG2-CG 3.92Å; I317-L319 PolarHBondContact O-N 3.05Å | ||
| 318 | D | 35.6 | Very low | 42 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -75 | 94.6 | 169.4 | -126.2 | -56.7 | 0 | 0 | 0 | 108.9 | V316 E320 | V316-D318 PolarHBondContact O-N 3.37Å; D318-E320 VanDerWaalsContact C-N 3.26Å; D318-E320 PolarHBondContact O-N 3.07Å | ||
| 319 | L | 45.8 | Very low | 43.1 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -79.5 | 74.8 | 176.4 | -82.7 | 161.6 | 0 | 0 | 0 | 109.5 | I317 | I317-L319 HydrophobicContact CG2-CD1 4.4Å; I317-L319 HydrophobicContact CG2-CD2 4.47Å; I317-L319 HydrophobicContact CG2-CG 3.92Å; I317-L319 PolarHBondContact O-N 3.05Å | ||
| 320 | E | 45.4 | Very low | 44.3 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -57.1 | 135.7 | 161.4 | -73.6 | -154.8 | 121.2 | 0 | 0 | 109.4 | D318 V322 | D318-E320 VanDerWaalsContact C-N 3.26Å; D318-E320 PolarHBondContact O-N 3.07Å; E320-V322 PolarHBondContact O-N 3.32Å | ||
| 321 | P | 46.4 | Very low | 45.4 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -70.6 | 94.1 | -179.3 | -16.8 | 31.4 | 0 | 0 | 0 | 110.9 | D323 | P321-D323 PolarHBondContact O-N 3.2Š| ||
| 322 | V | 41.3 | Very low | 46.8 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | trans | -66.6 | 114 | 171.7 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | E320 | E320-V322 PolarHBondContact O-N 3.32Š| ||
| 323 | D | 46.7 | Very low | 49.1 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | trans | -56.6 | 130.5 | 177.5 | -74.8 | -63.1 | 0 | 0 | 0 | 111.2 | P321 D325 T326 | P321-D323 PolarHBondContact O-N 3.2Å; D323-D325 PolarHBondContact O-N 3.39Å; D323-D325 VanDerWaalsContact O-N 3.07Å; D323-T326 PolarHBondContact O-N 2.92Å; D323-T326 PolarHBondContact O-OG1 2.98Å | ||
| 324 | P | 48.2 | Very low | 51.6 | Low | 107 Ų | 107 | 143.3 Ų | 143.3 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -4.7 | -169.9 | 28.7 | -36.3 | 0 | 0 | 0 | 114.7 | T326 | P324-T326 PolarHBondContact O-N 3.03Š|
| 325 | D | 49.5 | Very low | 53.9 | Low | 162 Ų | 162 | 141.3 Ų | 141.3 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -5.4 | 179.1 | -80.6 | -22.6 | 0 | 0 | 0 | 113.7 | D323 L327 | D323-D325 PolarHBondContact O-N 3.39Å; D323-D325 VanDerWaalsContact O-N 3.07Å; D325-L327 VanDerWaalsContact C-N 3.27Å; D325-L327 PolarHBondContact O-N 3.48Å |
| 326 | T | 52.1 | Low | 56.5 | Low | 103 Ų | 103 | 141.2 Ų | 141.2 | 63% | 0.632 | 71% | 0.711 | S | S | * | * | trans | -88.9 | 28.6 | 178.6 | -15 | 0 | 0 | 0 | 0 | 114.1 | D323 P324 D328 | D323-T326 PolarHBondContact O-N 2.92Å; D323-T326 PolarHBondContact O-OG1 2.98Å; P324-T326 PolarHBondContact O-N 3.03Å; T326-D328 VanDerWaalsContact C-N 3.26Å; T326-D328 PolarHBondContact O-N 3.16Å | ||
| 327 | L | 53.4 | Low | 59 | Low | 145 Ų | 145 | 136.1 Ų | 136.1 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | trans | -70.1 | 83.2 | 165.4 | -73.7 | -179 | 0 | 0 | 0 | 110 | D325 L329 | D325-L327 VanDerWaalsContact C-N 3.27Å; D325-L327 PolarHBondContact O-N 3.48Å; L327-L329 PolarHBondContact O-N 3.19Å | ||
| 328 | D | 54 | Low | 61.6 | Low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | -72.9 | 70.1 | -175 | -152.4 | -42.2 | 0 | 0 | 0 | 113 | T326 K330 | T326-D328 VanDerWaalsContact C-N 3.26Å; T326-D328 PolarHBondContact O-N 3.16Å; D328-K330 PolarHBondContact O-N 3.4Å; D328-K330 PolarHBondContact OD1-N 3.18Å | ||
| 329 | L | 56.5 | Low | 64.3 | Low | 147 Ų | 147 | 135 Ų | 135 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | trans | -74.4 | 51.5 | 171.7 | -76.4 | 169.4 | 0 | 0 | 0 | 111.5 | L327 R331 R332 | L327-L329 PolarHBondContact O-N 3.19Å; L329-R331 WeakPolarHBondContact O-CA 3.45Å; L329-R331 PolarHBondContact O-N 2.67Å; L329-R332 PolarHBondContact O-N 3.44Å | ||
| 330 | K | 56.4 | Low | 66.5 | Low | 196 Ų | 196 | 136.3 Ų | 136.3 | 85% | 0.852 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 31.8 | 57.5 | 163.6 | -145.7 | 165.2 | -169.2 | 170.4 | 0 | 112.8 | D328 R332 | D328-K330 PolarHBondContact O-N 3.4Å; D328-K330 PolarHBondContact OD1-N 3.18Å; K330-R332 PolarHBondContact O-N 2.99Å |
| 331 | R | 61.2 | Low | 68.6 | Low | 238 Ų | 238 | 132.2 Ų | 132.2 | 90% | 0.898 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -4 | 74.7 | -163.8 | -156.4 | 175.3 | -168.5 | 174.6 | 5.1 | 116.4 | L329 R333 | L329-R331 WeakPolarHBondContact O-CA 3.45Å; L329-R331 PolarHBondContact O-N 2.67Å; R331-R333 PolarHBondContact O-N 3Å |
| 332 | R | 64.6 | Low | 70.7 | Confident | 175 Ų | 175 | 127 Ų | 127 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | trans | -60.5 | 98.9 | 175.6 | -167.4 | -176.5 | -158.9 | 178.8 | 11.5 | 110.7 | L329 K330 I334 | L329-R332 PolarHBondContact O-N 3.44Å; K330-R332 PolarHBondContact O-N 2.99Å; R332-I334 WeakPolarHBondContact O-CG1 3.41Å; R332-I334 PolarHBondContact O-N 3.48Å | ||
| 333 | R | 81 | Confident | 73.1 | Confident | 194 Ų | 194 | 130.6 Ų | 130.6 | 73% | 0.732 | 64% | 0.642 | S | S | * | * | trans | -53.8 | 110.1 | -172.9 | -171.9 | 179.1 | -66.7 | 179 | 0.8 | 111.4 | R331 H335 | R331-R333 PolarHBondContact O-N 3Å; R333-H335 PolarHBondContact O-CD2 3.3Å; R333-H335 VanDerWaalsContact O-CD2 3.24Å | ||
| 334 | I | 89.2 | Confident | 75.4 | Confident | 119 Ų | 119 | 130 Ų | 130 | 61% | 0.61 | 63% | 0.634 | S | S | * | * | trans | -79.1 | 129.1 | 177.1 | -59 | -175.3 | 0 | 0 | 0 | 108.4 | R332 M336 V345 | R332-I334 WeakPolarHBondContact O-CG1 3.41Å; R332-I334 PolarHBondContact O-N 3.48Å; I334-M336 HydrophobicContact CG2-CG 4.21Å; I334-V345 HydrophobicContact CG2-CG1 3.23Å | ||
| 335 | H | 89.9 | Confident | 77.5 | Confident | 40 Ų | 40 | 128.7 Ų | 128.7 | 19% | 0.185 | 62% | 0.623 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 95.7 | -177.9 | -75.5 | -77.2 | 0 | 0 | 0 | 109.1 | R333 Y346 S349 L352 | R333-H335 PolarHBondContact O-CD2 3.3Å; R333-H335 VanDerWaalsContact O-CD2 3.24Å; H335-Y346 WeakPolarHBondContact CB-O 3.44Å; H335-Y346 PolarHBondContact N-O 3.29Å; H335-Y346 PolarHBondContact O-N 3.12Å; H335-S349 PolarHBondContact CD2-N 2.9Å; H335-L352 HydrophobicContact CB-CB 4.01Å; H335-L352 HydrophobicContact CB-CD2 3.85Å |
| 336 | M | 91.1 | Very high | 79.5 | Confident | 119 Ų | 119 | 123.4 Ų | 123.4 | 59% | 0.586 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.7 | 161.4 | 176.8 | -60 | -178.6 | 70.6 | 0 | 0 | 110.8 | I334 V345 L352 | I334-M336 HydrophobicContact CG2-CG 4.21Å; M336-V345 HydrophobicContact CE-CG2 4.43Å; M336-V345 HydrophobicContact CG-CG1 4.19Å; M336-V345 HydrophobicContact CG-CG2 4.1Å; M336-L352 VanDerWaalsContact O-CD1 3.25Å; M336-L352 WeakPolarHBondContact O-CD1 3.5Å; M336-L352 WeakPolarHBondContact O-CD2 3.27Å |
| 337 | C | 93.8 | Very high | 81.4 | Confident | 15 Ų | 15 | 122 Ų | 122 | 10% | 0.101 | 58% | 0.583 | C | S | . | * | trans | -90.4 | 126 | 170.7 | -167.2 | 0 | 0 | 0 | 0 | 111 | Y339 C342 K344 L352 H355 H359 | C337-Y339 PolarHBondContact O-N 2.86Å; C337-C342 HydrophobicContact CB-CB 4.32Å; C337-K344 PolarHBondContact N-O 2.78Å; C337-L352 HydrophobicContact CB-CD1 4.16Å; C337-H355 PolarHBondContact SG-NE2 2.98Å; C337-H355 VanDerWaalsContact SG-NE2 3.41Å; C337-H359 VanDerWaalsContact SG-CD2 3.58Å; C337-H359 PolarHBondContact SG-NE2 3.47Å | ||
| 338 | D | 91.6 | Very high | 83.1 | Confident | 131 Ų | 131 | 120.6 Ų | 120.6 | 70% | 0.701 | 57% | 0.571 | S | S | * | * | trans | -86 | 17.4 | -178.6 | -33.4 | -68.8 | 0 | 0 | 0 | 113 | ||||
| 339 | Y | 92.1 | Very high | 84.8 | Confident | 127 Ų | 127 | 117.5 Ų | 117.5 | 50% | 0.498 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -97.7 | 134.5 | -178.4 | -172 | -90 | 0 | 0 | 0 | 110.8 | C337 G341 C342 H359 | C337-Y339 PolarHBondContact O-N 2.86Å; Y339-G341 PolarHBondContact O-N 2.86Å; Y339-C342 HydrophobicContact CD1-CB 4.24Å; Y339-C342 VanDerWaalsContact O-CB 3.3Å; Y339-C342 WeakPolarHBondContact O-CB 3.39Å; Y339-C342 PolarHBondContact O-N 3.49Å; Y339-H359 HydrophobicContact CD1-CB 4.38Å; Y339-H359 AromaticContact CD1-CE1 3.94Å; Y339-H359 AromaticContact CD1-CG 3.79Å; Y339-H359 AromaticContact CD1-ND1 3.54Å; Y339-H359 HydrophobicContact CD2-CB 3.63Å; Y339-H359 AromaticContact CD2-CG 3.83Å; Y339-H359 HydrophobicContact CE1-CB 4.49Å; Y339-H359 AromaticContact CE1-ND1 3.77Å; Y339-H359 HydrophobicContact CE2-CB 3.76Å; Y339-H359 HydrophobicContact CG-CB 3.94Å; Y339-H359 AromaticContact CG-CD2 3.67Å; Y339-H359 AromaticContact CG-CG 3.58Å; Y339-H359 AromaticContact CG-ND1 3.85Å |
| 340 | E | 91.6 | Very high | 86.4 | Confident | 175 Ų | 175 | 113.8 Ų | 113.8 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 133.1 | -175.7 | -73.7 | -57 | 147 | 0 | 0 | 113.1 | C342 | E340-C342 PolarHBondContact O-N 3.2Å; E340-C342 VanDerWaalsContact O-N 3.15Å |
| 341 | G | 89.8 | Confident | 88 | Confident | 73 Ų | 73 | 108.9 Ų | 108.9 | 75% | 0.753 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -12.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y339 K343 | Y339-G341 PolarHBondContact O-N 2.86Å; G341-K343 PolarHBondContact O-N 3.01Å |
| 342 | C | 91.1 | Very high | 89.5 | Confident | 15 Ų | 15 | 98.5 Ų | 98.5 | 10% | 0.101 | 49% | 0.488 | C | S | . | . | trans | -88.7 | 91.6 | -174.2 | -160.4 | 0 | 0 | 0 | 0 | 114.2 | C337 Y339 E340 K344 H355 H359 | C337-C342 HydrophobicContact CB-CB 4.32Å; Y339-C342 HydrophobicContact CD1-CB 4.24Å; Y339-C342 VanDerWaalsContact O-CB 3.3Å; Y339-C342 WeakPolarHBondContact O-CB 3.39Å; Y339-C342 PolarHBondContact O-N 3.49Å; E340-C342 PolarHBondContact O-N 3.2Å; E340-C342 VanDerWaalsContact O-N 3.15Å; C342-K344 PolarHBondContact O-N 3.34Å; C342-H355 PolarHBondContact SG-NE2 2.7Å; C342-H359 WeakPolarHBondContact CB-CE1 3.24Å; C342-H359 WeakPolarHBondContact CB-NE2 3.36Å; C342-H359 PolarHBondContact SG-CE1 2.84Å; C342-H359 PolarHBondContact SG-NE2 2.83Å | ||
| 343 | K | 92 | Very high | 90.7 | Very high | 198 Ų | 198 | 97.2 Ų | 97.2 | 86% | 0.861 | 49% | 0.488 | S | S | * | . | trans | -79.1 | 29.1 | 179.3 | -57.2 | -179.6 | -177.3 | 177.9 | 0 | 114.6 | G341 | G341-K343 PolarHBondContact O-N 3.01Š| ||
| 344 | K | 93.6 | Very high | 91 | Very high | 113 Ų | 113 | 89.1 Ų | 89.1 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | trans | -88 | 141.6 | -178.5 | -67.7 | -172.2 | -170 | -69.7 | 0 | 111.8 | C337 C342 Y346 | C337-K344 PolarHBondContact N-O 2.78Å; C342-K344 PolarHBondContact O-N 3.34Å; K344-Y346 HydrophobicContact CB-CE2 3.81Å; K344-Y346 WeakPolarHBondContact CD-OH 3.29Å | ||
| 345 | V | 93.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 83.9 Ų | 83.9 | 47% | 0.473 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 140.1 | -169.8 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | I334 M336 | I334-V345 HydrophobicContact CG2-CG1 3.23Å; M336-V345 HydrophobicContact CE-CG2 4.43Å; M336-V345 HydrophobicContact CG-CG1 4.19Å; M336-V345 HydrophobicContact CG-CG2 4.1Å |
| 346 | Y | 92 | Very high | 91.1 | Very high | 52 Ų | 52 | 88.1 Ų | 88.1 | 20% | 0.204 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150 | -170.6 | -60.7 | -86.2 | 0 | 0 | 0 | 111.8 | H335 K344 H351 L352 H355 | H335-Y346 WeakPolarHBondContact CB-O 3.44Å; H335-Y346 PolarHBondContact N-O 3.29Å; H335-Y346 PolarHBondContact O-N 3.12Å; K344-Y346 HydrophobicContact CB-CE2 3.81Å; K344-Y346 WeakPolarHBondContact CD-OH 3.29Å; Y346-H351 HydrophobicContact CD1-CB 3.58Å; Y346-H351 HydrophobicContact CE1-CB 4.36Å; Y346-H351 HydrophobicContact CG-CB 4.15Å; Y346-L352 HydrophobicContact CD2-CB 4.15Å; Y346-L352 HydrophobicContact CD2-CD1 4.13Å; Y346-L352 HydrophobicContact CE2-CD1 4.49Å; Y346-L352 HydrophobicContact CG-CB 4.4Å; Y346-H355 HydrophobicContact CE1-CB 4.29Å; Y346-H355 HydrophobicContact CE2-CB 3.87Å; Y346-H355 AromaticContact CE2-CD2 3.33Å; Y346-H355 WeakPolarHBondContact CE2-CD2 3.5Å; Y346-H355 AromaticContact CE2-CG 3.74Å; Y346-H355 AromaticContact CZ-CD2 3.69Å; Y346-H355 AromaticContact CZ-CG 3.63Å; Y346-H355 WeakPolarHBondContact OH-CB 3.34Å; Y346-H355 PolarHBondContact OH-CD2 2.92Å |
| 347 | T | 91.7 | Very high | 91 | Very high | 72 Ų | 72 | 84.4 Ų | 84.4 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -97.9 | 5 | 175.8 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 348 | K | 89.4 | Confident | 90.7 | Very high | 116 Ų | 116 | 89.5 Ų | 89.5 | 50% | 0.504 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -142 | 134.7 | 178.3 | -65.8 | -171.3 | 179.6 | -175.2 | 0 | 110.2 | S350 H351 L352 | K348-S350 VanDerWaalsContact C-N 3.29Å; K348-S350 PolarHBondContact O-N 2.84Å; K348-H351 HydrophobicContact CB-CB 4.37Å; K348-H351 PolarHBondContact O-N 2.92Å; K348-L352 PolarHBondContact O-N 3.37Å |
| 349 | S | 89.8 | Confident | 90.6 | Very high | 75 Ų | 75 | 86.1 Ų | 86.1 | 52% | 0.524 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 175.7 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | H335 H351 L352 K353 | H335-S349 PolarHBondContact CD2-N 2.9Å; S349-H351 VanDerWaalsContact C-N 3.33Å; S349-H351 PolarHBondContact O-N 2.67Å; S349-L352 PolarHBondContact O-N 3.47Å; S349-K353 PolarHBondContact O-N 3.2Å |
| 350 | S | 89.1 | Confident | 90.4 | Very high | 69 Ų | 69 | 83.7 Ų | 83.7 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 177.3 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | K348 K353 A354 | K348-S350 VanDerWaalsContact C-N 3.29Å; K348-S350 PolarHBondContact O-N 2.84Å; S350-K353 PolarHBondContact O-N 2.97Å; S350-A354 WeakPolarHBondContact O-CB 3.36Å; S350-A354 PolarHBondContact O-N 2.69Å |
| 351 | H | 90.6 | Very high | 90.2 | Very high | 93 Ų | 93 | 77.8 Ų | 77.8 | 43% | 0.431 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.8 | -39 | 177 | -66.7 | -163.3 | 0 | 0 | 0 | 111.2 | Y346 K348 S349 A354 H355 | Y346-H351 HydrophobicContact CD1-CB 3.58Å; Y346-H351 HydrophobicContact CE1-CB 4.36Å; Y346-H351 HydrophobicContact CG-CB 4.15Å; K348-H351 HydrophobicContact CB-CB 4.37Å; K348-H351 PolarHBondContact O-N 2.92Å; S349-H351 VanDerWaalsContact C-N 3.33Å; S349-H351 PolarHBondContact O-N 2.67Å; H351-A354 PolarHBondContact O-N 3.18Å; H351-H355 WeakPolarHBondContact O-CB 3.45Å; H351-H355 PolarHBondContact O-N 3.15Å |
| 352 | L | 92 | Very high | 90.2 | Very high | 19 Ų | 19 | 78.9 Ų | 78.9 | 10% | 0.099 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 171.5 | 173.6 | 62.7 | 0 | 0 | 0 | 111.5 | H335 M336 C337 Y346 K348 S349 A354 H355 R356 | H335-L352 HydrophobicContact CB-CB 4.01Å; H335-L352 HydrophobicContact CB-CD2 3.85Å; M336-L352 VanDerWaalsContact O-CD1 3.25Å; M336-L352 WeakPolarHBondContact O-CD1 3.5Å; M336-L352 WeakPolarHBondContact O-CD2 3.27Å; C337-L352 HydrophobicContact CB-CD1 4.16Å; Y346-L352 HydrophobicContact CD2-CB 4.15Å; Y346-L352 HydrophobicContact CD2-CD1 4.13Å; Y346-L352 HydrophobicContact CE2-CD1 4.49Å; Y346-L352 HydrophobicContact CG-CB 4.4Å; K348-L352 PolarHBondContact O-N 3.37Å; S349-L352 PolarHBondContact O-N 3.47Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3.07Å; L352-H355 PolarHBondContact O-N 3.29Å; L352-H355 VanDerWaalsContact O-N 3.16Å; L352-R356 HydrophobicContact CD1-CG 4.2Å; L352-R356 PolarHBondContact O-N 3.4Å |
| 353 | K | 89.7 | Confident | 90.2 | Very high | 149 Ų | 149 | 84 Ų | 84 | 65% | 0.648 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61 | -42 | 177.8 | -170.3 | 176.4 | -177.5 | 177.8 | 0 | 111.7 | S349 S350 | S349-K353 PolarHBondContact O-N 3.2Å; S350-K353 PolarHBondContact O-N 2.97Å |
| 354 | A | 88.4 | Confident | 90 | Very high | 24 Ų | 24 | 77.3 Ų | 77.3 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S350 H351 L352 R357 R378 | S350-A354 WeakPolarHBondContact O-CB 3.36Å; S350-A354 PolarHBondContact O-N 2.69Å; H351-A354 PolarHBondContact O-N 3.18Å; L352-A354 VanDerWaalsContact C-N 3.34Å; L352-A354 PolarHBondContact O-N 3.07Å; A354-R357 WeakPolarHBondContact O-CB 3.32Å; A354-R357 PolarHBondContact O-N 2.75Å; A354-R378 HydrophobicContact CB-CG 4.48Å |
| 355 | H | 90 | Very high | 89.9 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.9 | 169.4 | 37.9 | 0 | 0 | 0 | 112.7 | C337 C342 Y346 H351 L352 R357 I358 H359 | C337-H355 PolarHBondContact SG-NE2 2.98Å; C337-H355 VanDerWaalsContact SG-NE2 3.41Å; C342-H355 PolarHBondContact SG-NE2 2.7Å; Y346-H355 HydrophobicContact CE1-CB 4.29Å; Y346-H355 HydrophobicContact CE2-CB 3.87Å; Y346-H355 AromaticContact CE2-CD2 3.33Å; Y346-H355 WeakPolarHBondContact CE2-CD2 3.5Å; Y346-H355 AromaticContact CE2-CG 3.74Å; Y346-H355 AromaticContact CZ-CD2 3.69Å; Y346-H355 AromaticContact CZ-CG 3.63Å; Y346-H355 WeakPolarHBondContact OH-CB 3.34Å; Y346-H355 PolarHBondContact OH-CD2 2.92Å; H351-H355 WeakPolarHBondContact O-CB 3.45Å; H351-H355 PolarHBondContact O-N 3.15Å; L352-H355 PolarHBondContact O-N 3.29Å; L352-H355 VanDerWaalsContact O-N 3.16Å; H355-R357 PolarHBondContact O-N 2.9Å; H355-I358 VanDerWaalsContact O-CB 3.26Å; H355-I358 WeakPolarHBondContact O-CB 3.24Å; H355-I358 WeakPolarHBondContact O-CG1 3.45Å; H355-I358 PolarHBondContact O-N 3.44Å; H355-H359 AromaticContact CD2-NE2 3.69Å; H355-H359 AromaticContact CE1-CD2 3.92Å; H355-H359 AromaticContact CE1-NE2 2.89Å; H355-H359 PolarHBondContact CE1-NE2 3.48Å; H355-H359 AromaticContact NE2-CD2 3.98Å; H355-H359 AromaticContact NE2-NE2 2.56Å; H355-H359 PolarHBondContact NE2-NE2 3.13Å |
| 356 | R | 90.2 | Very high | 90 | Very high | 130 Ų | 130 | 76.3 Ų | 76.3 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.1 | -27.3 | -179.4 | -79.2 | -175.4 | 59.5 | -165.7 | -6.6 | 113.4 | L352 I358 H359 T360 | L352-R356 HydrophobicContact CD1-CG 4.2Å; L352-R356 PolarHBondContact O-N 3.4Å; R356-I358 PolarHBondContact O-N 3.31Å; R356-H359 WeakPolarHBondContact O-CB 3.44Å; R356-H359 PolarHBondContact O-N 3.36Å; R356-T360 PolarHBondContact O-N 2.82Å; R356-T360 VanDerWaalsContact O-N 3.11Å; R356-T360 PolarHBondContact O-OG1 2.98Å |
| 357 | R | 90.4 | Very high | 90.2 | Very high | 40 Ų | 40 | 74.3 Ų | 74.3 | 15% | 0.151 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.9 | -23.1 | 173 | -61.6 | -176.1 | 172.4 | 147.2 | -1.7 | 114.4 | A354 H355 H359 T360 G361 E362 A377 | A354-R357 WeakPolarHBondContact O-CB 3.32Å; A354-R357 PolarHBondContact O-N 2.75Å; H355-R357 PolarHBondContact O-N 2.9Å; R357-H359 VanDerWaalsContact C-N 3.28Å; R357-T360 WeakPolarHBondContact CA-OG1 3.5Å; R357-G361 CarbonylContact O-C 3.6Å; R357-G361 WeakPolarHBondContact O-CA 3.1Å; R357-G361 PolarHBondContact O-N 3.1Å; R357-E362 HydrophobicContact CB-CB 4.03Å; R357-E362 HydrophobicContact CG-CB 3.87Å; R357-E362 PolarHBondContact O-N 3.08Å; R357-A377 HydrophobicContact CB-CB 4.2Å; R357-A377 WeakPolarHBondContact CD-O 3.49Å; R357-A377 PolarHBondContact NH1-O 2.89Å |
| 358 | I | 87.6 | Confident | 90.3 | Very high | 122 Ų | 122 | 75.8 Ų | 75.8 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.4 | -32.1 | 173.8 | -57.5 | 179.3 | 0 | 0 | 0 | 110.4 | H355 R356 | H355-I358 VanDerWaalsContact O-CB 3.26Å; H355-I358 WeakPolarHBondContact O-CB 3.24Å; H355-I358 WeakPolarHBondContact O-CG1 3.45Å; H355-I358 PolarHBondContact O-N 3.44Å; R356-I358 PolarHBondContact O-N 3.31Å |
| 359 | H | 89.2 | Confident | 90.6 | Very high | 61 Ų | 61 | 75.6 Ų | 75.6 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -88 | -30.6 | 179.3 | -58.5 | -50.4 | 0 | 0 | 0 | 113.3 | C337 Y339 C342 H355 R356 R357 | C337-H359 VanDerWaalsContact SG-CD2 3.58Å; C337-H359 PolarHBondContact SG-NE2 3.47Å; Y339-H359 HydrophobicContact CD1-CB 4.38Å; Y339-H359 AromaticContact CD1-CE1 3.94Å; Y339-H359 AromaticContact CD1-CG 3.79Å; Y339-H359 AromaticContact CD1-ND1 3.54Å; Y339-H359 HydrophobicContact CD2-CB 3.63Å; Y339-H359 AromaticContact CD2-CG 3.83Å; Y339-H359 HydrophobicContact CE1-CB 4.49Å; Y339-H359 AromaticContact CE1-ND1 3.77Å; Y339-H359 HydrophobicContact CE2-CB 3.76Å; Y339-H359 HydrophobicContact CG-CB 3.94Å; Y339-H359 AromaticContact CG-CD2 3.67Å; Y339-H359 AromaticContact CG-CG 3.58Å; Y339-H359 AromaticContact CG-ND1 3.85Å; C342-H359 WeakPolarHBondContact CB-CE1 3.24Å; C342-H359 WeakPolarHBondContact CB-NE2 3.36Å; C342-H359 PolarHBondContact SG-CE1 2.84Å; C342-H359 PolarHBondContact SG-NE2 2.83Å; H355-H359 AromaticContact CD2-NE2 3.69Å; H355-H359 AromaticContact CE1-CD2 3.92Å; H355-H359 AromaticContact CE1-NE2 2.89Å; H355-H359 PolarHBondContact CE1-NE2 3.48Å; H355-H359 AromaticContact NE2-CD2 3.98Å; H355-H359 AromaticContact NE2-NE2 2.56Å; H355-H359 PolarHBondContact NE2-NE2 3.13Å; R356-H359 WeakPolarHBondContact O-CB 3.44Å; R356-H359 PolarHBondContact O-N 3.36Å; R357-H359 VanDerWaalsContact C-N 3.28Å |
| 360 | T | 86.8 | Confident | 90.8 | Very high | 75 Ų | 75 | 80.2 Ų | 80.2 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -91.9 | -6.6 | 176.9 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | R356 R357 E362 | R356-T360 PolarHBondContact O-N 2.82Å; R356-T360 VanDerWaalsContact O-N 3.11Å; R356-T360 PolarHBondContact O-OG1 2.98Å; R357-T360 WeakPolarHBondContact CA-OG1 3.5Å; T360-E362 WeakPolarHBondContact CB-OE1 3.34Å; T360-E362 PolarHBondContact O-N 3.11Å; T360-E362 VanDerWaalsContact OG1-CD 3.25Å; T360-E362 WeakPolarHBondContact OG1-CG 2.97Å; T360-E362 PolarHBondContact OG1-OE1 2.89Å |
| 361 | G | 87.6 | Confident | 90.9 | Very high | 51 Ų | 51 | 81 Ų | 81 | 53% | 0.526 | 42% | 0.421 | S | S | . | . | trans | 69.9 | 3.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | R357 K363 | R357-G361 CarbonylContact O-C 3.6Å; R357-G361 WeakPolarHBondContact O-CA 3.1Å; R357-G361 PolarHBondContact O-N 3.1Å; G361-K363 PolarHBondContact O-N 3.47Å; G361-K363 VanDerWaalsContact O-N 3.11Å | ||
| 362 | E | 89.8 | Confident | 91 | Very high | 97 Ų | 97 | 77.3 Ų | 77.3 | 45% | 0.453 | 41% | 0.405 | S | S | . | . | trans | -58.3 | 110.6 | -174.2 | -82.4 | 168.8 | -117.6 | 0 | 0 | 113.2 | R357 T360 P364 | R357-E362 HydrophobicContact CB-CB 4.03Å; R357-E362 HydrophobicContact CG-CB 3.87Å; R357-E362 PolarHBondContact O-N 3.08Å; T360-E362 WeakPolarHBondContact CB-OE1 3.34Å; T360-E362 PolarHBondContact O-N 3.11Å; T360-E362 VanDerWaalsContact OG1-CD 3.25Å; T360-E362 WeakPolarHBondContact OG1-CG 2.97Å; T360-E362 PolarHBondContact OG1-OE1 2.89Å; E362-P364 VanDerWaalsContact C-CD 3.41Å; E362-P364 WeakPolarHBondContact O-CD 3.43Å | ||
| 363 | K | 90.7 | Very high | 91 | Very high | 121 Ų | 121 | 81.4 Ų | 81.4 | 53% | 0.526 | 43% | 0.431 | S | S | . | . | trans | -113.4 | 74.9 | 172.6 | -64.7 | 167.3 | -177 | 176.7 | 0 | 110.9 | G361 R375 F376 | G361-K363 PolarHBondContact O-N 3.47Å; G361-K363 VanDerWaalsContact O-N 3.11Å; K363-R375 HydrophobicContact CB-CB 3.6Å; K363-R375 HydrophobicContact CD-CB 4.14Å; K363-R375 HydrophobicContact CG-CB 4.41Å; K363-R375 PolarHBondContact O-NE 2.64Å; K363-R375 PolarHBondContact O-NH2 3.24Å; K363-R375 VanDerWaalsContact O-NH2 3.08Å; K363-F376 CarbonylContact C-O 3.55Å; K363-F376 VanDerWaalsContact CA-O 3.28Å; K363-F376 WeakPolarHBondContact CA-O 3.25Å | ||
| 364 | P | 88.6 | Confident | 91.3 | Very high | 58 Ų | 58 | 81.5 Ų | 81.5 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | trans | -70.9 | -32.2 | -175.2 | 27.9 | -34.3 | 0 | 0 | 0 | 112.8 | E362 R375 | E362-P364 VanDerWaalsContact C-CD 3.41Å; E362-P364 WeakPolarHBondContact O-CD 3.43Å; P364-R375 PolarHBondContact O-NH2 2.84Å | ||
| 365 | Y | 92.2 | Very high | 91.5 | Very high | 77 Ų | 77 | 86.3 Ų | 86.3 | 30% | 0.302 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.5 | 177.6 | -49.5 | -78.1 | 0 | 0 | 0 | 109.3 | R375 F376 A377 R378 | Y365-R375 CarbonylContact O-C 3.54Å; Y365-R375 VanDerWaalsContact O-CA 3.26Å; Y365-R375 WeakPolarHBondContact O-CA 3.48Å; Y365-F376 PolarHBondContact N-O 2.8Å; Y365-F376 PolarHBondContact O-N 3.21Å; Y365-A377 WeakPolarHBondContact CE2-O 3.32Å; Y365-R378 VanDerWaalsContact CE2-C 3.46Å |
| 366 | H | 94.4 | Very high | 91.6 | Very high | 93 Ų | 93 | 87.1 Ų | 87.1 | 43% | 0.431 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.2 | 178.2 | 56.7 | -82.2 | 0 | 0 | 0 | 109.6 | R375 L382 | H366-R375 HydrophobicContact CB-CG 4.09Å; H366-L382 WeakPolarHBondContact O-CD2 3.45Å |
| 367 | C | 96.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 81.9 Ų | 81.9 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | trans | -71.8 | 140.1 | 170.7 | -159.7 | 0 | 0 | 0 | 0 | 110.2 | C372 W374 L382 H389 | C367-C372 HydrophobicContact CB-CB 4.19Å; C367-W374 PolarHBondContact N-O 3.15Å; C367-L382 HydrophobicContact CB-CD1 4.26Å; C367-H389 VanDerWaalsContact SG-CD2 3.55Å; C367-H389 PolarHBondContact SG-NE2 2.89Å | ||
| 368 | T | 94.6 | Very high | 91.5 | Very high | 103 Ų | 103 | 85.1 Ų | 85.1 | 63% | 0.632 | 44% | 0.441 | S | S | * | . | trans | -111.3 | 41.9 | 175.9 | 63 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 369 | W | 94.2 | Very high | 91.7 | Very high | 112 Ų | 112 | 82.2 Ų | 82.2 | 42% | 0.424 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -116.4 | 134.9 | 179.2 | -174.9 | -82.8 | 0 | 0 | 0 | 108.1 | G371 C372 F386 H389 T390 | W369-G371 PolarHBondContact O-N 2.97Å; W369-C372 HydrophobicContact CB-CB 4.11Å; W369-C372 WeakPolarHBondContact O-CB 3.46Å; W369-C372 PolarHBondContact O-N 3.05Å; W369-F386 HydrophobicContact CB-CE2 4.39Å; W369-F386 HydrophobicContact CE3-CE2 4.04Å; W369-F386 AromaticContact CE3-CZ 3.99Å; W369-F386 HydrophobicContact CE3-CZ 3.99Å; W369-F386 HydrophobicContact CZ3-CZ 4.44Å; W369-H389 AromaticContact CD1-CG 3.9Å; W369-H389 AromaticContact CD1-ND1 3.86Å; W369-H389 HydrophobicContact CD2-CB 3.5Å; W369-H389 VanDerWaalsContact CD2-CB 3.5Å; W369-H389 AromaticContact CD2-CG 3.72Å; W369-H389 HydrophobicContact CE3-CB 3.61Å; W369-H389 HydrophobicContact CG-CB 4Å; W369-H389 AromaticContact CG-CD2 3.67Å; W369-H389 AromaticContact CG-CG 3.64Å; W369-H389 HydrophobicContact CH2-CB 4.1Å; W369-H389 HydrophobicContact CZ2-CB 4.01Å; W369-H389 HydrophobicContact CZ3-CB 3.91Å; W369-T390 HydrophobicContact CZ3-CG2 4.11Å |
| 370 | E | 93.9 | Very high | 91.7 | Very high | 173 Ų | 173 | 83.1 Ų | 83.1 | 81% | 0.808 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 132 | -174 | -61.3 | -50.3 | 130.7 | 0 | 0 | 112 | C372 | E370-C372 PolarHBondContact O-N 3.18Š|
| 371 | G | 91.2 | Very high | 92 | Very high | 84 Ų | 84 | 81.8 Ų | 81.8 | 87% | 0.866 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | -3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116 | W369 | W369-G371 PolarHBondContact O-N 2.97Š|
| 372 | C | 94 | Very high | 92.3 | Very high | 16 Ų | 16 | 81.1 Ų | 81.1 | 11% | 0.108 | 41% | 0.411 | C | S | . | . | trans | -101.6 | 100.9 | -177.9 | -165.2 | 0 | 0 | 0 | 0 | 113.5 | C367 W369 E370 W374 H385 H389 | C367-C372 HydrophobicContact CB-CB 4.19Å; W369-C372 HydrophobicContact CB-CB 4.11Å; W369-C372 WeakPolarHBondContact O-CB 3.46Å; W369-C372 PolarHBondContact O-N 3.05Å; E370-C372 PolarHBondContact O-N 3.18Å; C372-W374 VanDerWaalsContact C-N 3.31Å; C372-W374 PolarHBondContact O-N 2.98Å; C372-H385 PolarHBondContact SG-NE2 3.15Å; C372-H389 VanDerWaalsContact CB-NE2 3.31Å; C372-H389 WeakPolarHBondContact CB-NE2 3.42Å; C372-H389 PolarHBondContact SG-CE1 2.87Å; C372-H389 PolarHBondContact SG-NE2 3.39Å | ||
| 373 | T | 92.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 80.4 Ų | 80.4 | 64% | 0.644 | 41% | 0.413 | S | S | * | . | trans | -82.4 | 3.4 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 114.9 | R375 | T373-R375 WeakPolarHBondContact O-CG 3.5Š| ||
| 374 | W | 94.3 | Very high | 92.6 | Very high | 152 Ų | 152 | 80 Ų | 80 | 58% | 0.576 | 41% | 0.408 | S | S | * | . | trans | -66.7 | 138.5 | -171.1 | -82.6 | 42 | 0 | 0 | 0 | 113.2 | C367 C372 F376 H385 | C367-W374 PolarHBondContact N-O 3.15Å; C372-W374 VanDerWaalsContact C-N 3.31Å; C372-W374 PolarHBondContact O-N 2.98Å; W374-F376 HydrophobicContact CB-CE2 4.05Å; W374-F376 HydrophobicContact CB-CZ 3.83Å; W374-F376 AromaticContact CE3-CE1 3.97Å; W374-F376 HydrophobicContact CE3-CE1 3.97Å; W374-F376 AromaticContact CE3-CZ 3.82Å; W374-F376 HydrophobicContact CE3-CZ 3.82Å; W374-H385 AromaticContact CD2-CE1 3.92Å; W374-H385 AromaticContact CE3-CE1 3.88Å; W374-H385 AromaticContact CE3-ND1 3.8Å; W374-H385 AromaticContact CG-CE1 3.95Å | ||
| 375 | R | 93.9 | Very high | 92.8 | Very high | 125 Ų | 125 | 77.9 Ų | 77.9 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.8 | -179.5 | -48.8 | -174.8 | 65.4 | 105.5 | 3.3 | 112.3 | K363 P364 Y365 H366 T373 | K363-R375 HydrophobicContact CB-CB 3.6Å; K363-R375 HydrophobicContact CD-CB 4.14Å; K363-R375 HydrophobicContact CG-CB 4.41Å; K363-R375 PolarHBondContact O-NE 2.64Å; K363-R375 PolarHBondContact O-NH2 3.24Å; K363-R375 VanDerWaalsContact O-NH2 3.08Å; P364-R375 PolarHBondContact O-NH2 2.84Å; Y365-R375 CarbonylContact O-C 3.54Å; Y365-R375 VanDerWaalsContact O-CA 3.26Å; Y365-R375 WeakPolarHBondContact O-CA 3.48Å; H366-R375 HydrophobicContact CB-CG 4.09Å; T373-R375 WeakPolarHBondContact O-CG 3.5Å |
| 376 | F | 92.1 | Very high | 92.9 | Very high | 25 Ų | 25 | 77.6 Ų | 77.6 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 150.5 | -169.4 | -54.7 | -81.6 | 0 | 0 | 0 | 112.5 | K363 Y365 W374 E381 L382 H385 | K363-F376 CarbonylContact C-O 3.55Å; K363-F376 VanDerWaalsContact CA-O 3.28Å; K363-F376 WeakPolarHBondContact CA-O 3.25Å; Y365-F376 PolarHBondContact N-O 2.8Å; Y365-F376 PolarHBondContact O-N 3.21Å; W374-F376 HydrophobicContact CB-CE2 4.05Å; W374-F376 HydrophobicContact CB-CZ 3.83Å; W374-F376 AromaticContact CE3-CE1 3.97Å; W374-F376 HydrophobicContact CE3-CE1 3.97Å; W374-F376 AromaticContact CE3-CZ 3.82Å; W374-F376 HydrophobicContact CE3-CZ 3.82Å; F376-E381 HydrophobicContact CB-CB 3.92Å; F376-E381 HydrophobicContact CD1-CB 3.85Å; F376-E381 HydrophobicContact CG-CB 4.1Å; F376-L382 HydrophobicContact CB-CB 4.44Å; F376-L382 HydrophobicContact CD2-CB 3.73Å; F376-L382 HydrophobicContact CD2-CD1 3.83Å; F376-L382 HydrophobicContact CD2-CG 4.36Å; F376-L382 HydrophobicContact CE2-CB 4.41Å; F376-L382 HydrophobicContact CE2-CD1 3.82Å; F376-L382 HydrophobicContact CG-CB 4.23Å; F376-H385 HydrophobicContact CE1-CB 3.91Å; F376-H385 HydrophobicContact CE2-CB 3.98Å; F376-H385 AromaticContact CE2-CD2 3.67Å; F376-H385 AromaticContact CE2-CG 3.8Å; F376-H385 HydrophobicContact CZ-CB 3.43Å; F376-H385 VanDerWaalsContact CZ-CB 3.43Å; F376-H385 AromaticContact CZ-CD2 3.56Å; F376-H385 AromaticContact CZ-CE1 3.97Å; F376-H385 AromaticContact CZ-CG 3.24Å; F376-H385 AromaticContact CZ-ND1 3.54Å |
| 377 | A | 89.7 | Confident | 92.9 | Very high | 20 Ų | 20 | 76.7 Ų | 76.7 | 17% | 0.165 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -80 | -20.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | R357 Y365 E381 | R357-A377 HydrophobicContact CB-CB 4.2Å; R357-A377 WeakPolarHBondContact CD-O 3.49Å; R357-A377 PolarHBondContact NH1-O 2.89Å; Y365-A377 WeakPolarHBondContact CE2-O 3.32Å; A377-E381 PolarHBondContact N-OE2 3.19Å; A377-E381 VanDerWaalsContact N-OE2 3.16Å |
| 378 | R | 88.4 | Confident | 92.7 | Very high | 108 Ų | 108 | 83.7 Ų | 83.7 | 41% | 0.408 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -131.4 | 154.9 | -179.5 | -58.7 | 164.6 | 49.5 | 160.4 | -6.8 | 113 | A354 Y365 D380 E381 L382 | A354-R378 HydrophobicContact CB-CG 4.48Å; Y365-R378 VanDerWaalsContact CE2-C 3.46Å; R378-D380 VanDerWaalsContact CB-OD1 3.24Å; R378-D380 WeakPolarHBondContact CB-OD1 3.5Å; R378-D380 IonicContact CZ-OD1 3.4Å; R378-D380 IonicContact CZ-OD2 3.48Å; R378-D380 IonicContact NE-OD1 2.82Å; R378-D380 PolarHBondContact NE-OD1 3.29Å; R378-D380 IonicContact NE-OD2 3.61Å; R378-D380 VanDerWaalsContact NH2-CG 3.27Å; R378-D380 IonicContact NH2-OD1 3.11Å; R378-D380 PolarHBondContact NH2-OD1 3Å; R378-D380 VanDerWaalsContact NH2-OD1 3.13Å; R378-D380 IonicContact NH2-OD2 3.35Å; R378-D380 PolarHBondContact NH2-OD2 2.88Å; R378-E381 HydrophobicContact CB-CB 4.38Å; R378-E381 HydrophobicContact CB-CG 3.96Å; R378-E381 WeakPolarHBondContact CD-OE1 3.5Å; R378-E381 PolarHBondContact N-OE2 2.88Å; R378-L382 PolarHBondContact O-N 3.48Å |
| 379 | S | 90.8 | Very high | 92.6 | Very high | 61 Ų | 61 | 81.9 Ų | 81.9 | 43% | 0.427 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70 | -38 | 177.5 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | E381 L382 T383 | S379-E381 VanDerWaalsContact C-N 3.28Å; S379-E381 PolarHBondContact O-N 3.37Å; S379-L382 WeakPolarHBondContact O-CB 3.24Å; S379-L382 PolarHBondContact O-N 3.43Å; S379-T383 PolarHBondContact O-N 2.82Å; S379-T383 PolarHBondContact O-OG1 3.24Å; S379-T383 VanDerWaalsContact O-OG1 3.11Å |
| 380 | D | 89.9 | Confident | 92.5 | Very high | 79 Ų | 79 | 79 Ų | 79 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.9 | -26.9 | 178.3 | 64.6 | -62.2 | 0 | 0 | 0 | 112.9 | R378 R384 | R378-D380 VanDerWaalsContact CB-OD1 3.24Å; R378-D380 WeakPolarHBondContact CB-OD1 3.5Å; R378-D380 IonicContact CZ-OD1 3.4Å; R378-D380 IonicContact CZ-OD2 3.48Å; R378-D380 IonicContact NE-OD1 2.82Å; R378-D380 PolarHBondContact NE-OD1 3.29Å; R378-D380 IonicContact NE-OD2 3.61Å; R378-D380 VanDerWaalsContact NH2-CG 3.27Å; R378-D380 IonicContact NH2-OD1 3.11Å; R378-D380 PolarHBondContact NH2-OD1 3Å; R378-D380 VanDerWaalsContact NH2-OD1 3.13Å; R378-D380 IonicContact NH2-OD2 3.35Å; R378-D380 PolarHBondContact NH2-OD2 2.88Å; D380-R384 WeakPolarHBondContact O-CB 3.19Å; D380-R384 PolarHBondContact O-N 3.28Å |
| 381 | E | 92.2 | Very high | 92.4 | Very high | 48 Ų | 48 | 73 Ų | 73 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 169.2 | -67.8 | 167 | 168 | 0 | 0 | 111.3 | F376 A377 R378 S379 R384 H385 | F376-E381 HydrophobicContact CB-CB 3.92Å; F376-E381 HydrophobicContact CD1-CB 3.85Å; F376-E381 HydrophobicContact CG-CB 4.1Å; A377-E381 PolarHBondContact N-OE2 3.19Å; A377-E381 VanDerWaalsContact N-OE2 3.16Å; R378-E381 HydrophobicContact CB-CB 4.38Å; R378-E381 HydrophobicContact CB-CG 3.96Å; R378-E381 WeakPolarHBondContact CD-OE1 3.5Å; R378-E381 PolarHBondContact N-OE2 2.88Å; S379-E381 VanDerWaalsContact C-N 3.28Å; S379-E381 PolarHBondContact O-N 3.37Å; E381-R384 PolarHBondContact O-N 3.16Å; E381-H385 WeakPolarHBondContact O-CB 3.48Å; E381-H385 PolarHBondContact O-N 3.18Å |
| 382 | L | 94.9 | Very high | 92.4 | Very high | 37 Ų | 37 | 73.5 Ų | 73.5 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 174.4 | 172.3 | 60.3 | 0 | 0 | 0 | 111.5 | H366 C367 F376 R378 S379 R384 H385 F386 | H366-L382 WeakPolarHBondContact O-CD2 3.45Å; C367-L382 HydrophobicContact CB-CD1 4.26Å; F376-L382 HydrophobicContact CB-CB 4.44Å; F376-L382 HydrophobicContact CD2-CB 3.73Å; F376-L382 HydrophobicContact CD2-CD1 3.83Å; F376-L382 HydrophobicContact CD2-CG 4.36Å; F376-L382 HydrophobicContact CE2-CB 4.41Å; F376-L382 HydrophobicContact CE2-CD1 3.82Å; F376-L382 HydrophobicContact CG-CB 4.23Å; R378-L382 PolarHBondContact O-N 3.48Å; S379-L382 WeakPolarHBondContact O-CB 3.24Å; S379-L382 PolarHBondContact O-N 3.43Å; L382-R384 VanDerWaalsContact C-N 3.26Å; L382-R384 PolarHBondContact O-N 3.38Å; L382-H385 WeakPolarHBondContact O-CB 3.29Å; L382-H385 PolarHBondContact O-N 2.3Å; L382-H385 VanDerWaalsContact O-N 3.08Å; L382-F386 PolarHBondContact O-N 2.91Å |
| 383 | T | 93.6 | Very high | 92.4 | Very high | 81 Ų | 81 | 79 Ų | 79 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.1 | -37.2 | 177.7 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | S379 | S379-T383 PolarHBondContact O-N 2.82Å; S379-T383 PolarHBondContact O-OG1 3.24Å; S379-T383 VanDerWaalsContact O-OG1 3.11Å |
| 384 | R | 92.5 | Very high | 92.3 | Very high | 112 Ų | 112 | 77.4 Ų | 77.4 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 174.2 | 179.3 | 178.2 | 63.9 | 158.9 | -1.7 | 112.2 | D380 E381 L382 R406 | D380-R384 WeakPolarHBondContact O-CB 3.19Å; D380-R384 PolarHBondContact O-N 3.28Å; E381-R384 PolarHBondContact O-N 3.16Å; L382-R384 VanDerWaalsContact C-N 3.26Å; L382-R384 PolarHBondContact O-N 3.38Å; R384-R406 HydrophobicContact CG-CG 3.97Å |
| 385 | H | 94.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.065 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 175.3 | 167.8 | 88 | 0 | 0 | 0 | 112.2 | C372 W374 F376 E381 L382 R387 K388 H389 | C372-H385 PolarHBondContact SG-NE2 3.15Å; W374-H385 AromaticContact CD2-CE1 3.92Å; W374-H385 AromaticContact CE3-CE1 3.88Å; W374-H385 AromaticContact CE3-ND1 3.8Å; W374-H385 AromaticContact CG-CE1 3.95Å; F376-H385 HydrophobicContact CE1-CB 3.91Å; F376-H385 HydrophobicContact CE2-CB 3.98Å; F376-H385 AromaticContact CE2-CD2 3.67Å; F376-H385 AromaticContact CE2-CG 3.8Å; F376-H385 HydrophobicContact CZ-CB 3.43Å; F376-H385 VanDerWaalsContact CZ-CB 3.43Å; F376-H385 AromaticContact CZ-CD2 3.56Å; F376-H385 AromaticContact CZ-CE1 3.97Å; F376-H385 AromaticContact CZ-CG 3.24Å; F376-H385 AromaticContact CZ-ND1 3.54Å; E381-H385 WeakPolarHBondContact O-CB 3.48Å; E381-H385 PolarHBondContact O-N 3.18Å; L382-H385 WeakPolarHBondContact O-CB 3.29Å; L382-H385 PolarHBondContact O-N 2.3Å; L382-H385 VanDerWaalsContact O-N 3.08Å; H385-R387 PolarHBondContact O-N 3.08Å; H385-R387 VanDerWaalsContact O-N 3.1Å; H385-K388 VanDerWaalsContact O-CB 3.25Å; H385-K388 WeakPolarHBondContact O-CB 3.46Å; H385-K388 PolarHBondContact O-N 2.95Å; H385-H389 AromaticContact CD2-NE2 3.15Å; H385-H389 PolarHBondContact CD2-NE2 3.34Å; H385-H389 AromaticContact CE1-NE2 3.17Å; H385-H389 PolarHBondContact CE1-NE2 3.17Å; H385-H389 AromaticContact NE2-CD2 3.92Å; H385-H389 AromaticContact NE2-CE1 3.99Å; H385-H389 AromaticContact NE2-NE2 2.3Å; H385-H389 PolarHBondContact NE2-NE2 2.68Å |
| 386 | F | 94.3 | Very high | 92.3 | Very high | 72 Ų | 72 | 74.4 Ų | 74.4 | 32% | 0.316 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -19.7 | 179.7 | -157.7 | -100 | 0 | 0 | 0 | 113.5 | W369 L382 K388 H389 T390 | W369-F386 HydrophobicContact CB-CE2 4.39Å; W369-F386 HydrophobicContact CE3-CE2 4.04Å; W369-F386 AromaticContact CE3-CZ 3.99Å; W369-F386 HydrophobicContact CE3-CZ 3.99Å; W369-F386 HydrophobicContact CZ3-CZ 4.44Å; L382-F386 PolarHBondContact O-N 2.91Å; F386-K388 VanDerWaalsContact C-N 3.28Å; F386-K388 PolarHBondContact O-N 3.43Å; F386-H389 PolarHBondContact O-N 2.71Å; F386-T390 HydrophobicContact CD1-CG2 3.78Å; F386-T390 HydrophobicContact CE1-CG2 3.51Å; F386-T390 HydrophobicContact CZ-CG2 4.33Å; F386-T390 PolarHBondContact O-N 3.27Å; F386-T390 VanDerWaalsContact O-N 3.12Å; F386-T390 PolarHBondContact O-OG1 2.99Å |
| 387 | R | 94.2 | Very high | 92.5 | Very high | 73 Ų | 73 | 73.4 Ų | 73.4 | 28% | 0.275 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71 | -16 | 169.3 | -65.2 | -179.6 | -170.5 | 160.1 | 5.5 | 114.2 | H385 T390 G391 I392 S405 | H385-R387 PolarHBondContact O-N 3.08Å; H385-R387 VanDerWaalsContact O-N 3.1Å; R387-T390 WeakPolarHBondContact CA-OG1 3.46Å; R387-G391 WeakPolarHBondContact O-CA 3.34Å; R387-G391 PolarHBondContact O-N 3.39Å; R387-I392 PolarHBondContact O-N 2.89Å; R387-S405 WeakPolarHBondContact CD-O 3.26Å; R387-S405 PolarHBondContact NH1-O 3.39Å |
| 388 | K | 91.6 | Very high | 92.6 | Very high | 157 Ų | 157 | 78.2 Ų | 78.2 | 68% | 0.683 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.1 | -54.5 | 168.9 | -67.2 | -165.7 | 170.1 | -162.1 | 0 | 109.6 | H385 F386 G391 | H385-K388 VanDerWaalsContact O-CB 3.25Å; H385-K388 WeakPolarHBondContact O-CB 3.46Å; H385-K388 PolarHBondContact O-N 2.95Å; F386-K388 VanDerWaalsContact C-N 3.28Å; F386-K388 PolarHBondContact O-N 3.43Å; K388-G391 PolarHBondContact O-N 2.98Å |
| 389 | H | 92.5 | Very high | 92.8 | Very high | 65 Ų | 65 | 76.9 Ų | 76.9 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | -179.6 | -58.4 | -42 | 0 | 0 | 0 | 113.4 | C367 W369 C372 H385 F386 G391 | C367-H389 VanDerWaalsContact SG-CD2 3.55Å; C367-H389 PolarHBondContact SG-NE2 2.89Å; W369-H389 AromaticContact CD1-CG 3.9Å; W369-H389 AromaticContact CD1-ND1 3.86Å; W369-H389 HydrophobicContact CD2-CB 3.5Å; W369-H389 VanDerWaalsContact CD2-CB 3.5Å; W369-H389 AromaticContact CD2-CG 3.72Å; W369-H389 HydrophobicContact CE3-CB 3.61Å; W369-H389 HydrophobicContact CG-CB 4Å; W369-H389 AromaticContact CG-CD2 3.67Å; W369-H389 AromaticContact CG-CG 3.64Å; W369-H389 HydrophobicContact CH2-CB 4.1Å; W369-H389 HydrophobicContact CZ2-CB 4.01Å; W369-H389 HydrophobicContact CZ3-CB 3.91Å; C372-H389 VanDerWaalsContact CB-NE2 3.31Å; C372-H389 WeakPolarHBondContact CB-NE2 3.42Å; C372-H389 PolarHBondContact SG-CE1 2.87Å; C372-H389 PolarHBondContact SG-NE2 3.39Å; H385-H389 AromaticContact CD2-NE2 3.15Å; H385-H389 PolarHBondContact CD2-NE2 3.34Å; H385-H389 AromaticContact CE1-NE2 3.17Å; H385-H389 PolarHBondContact CE1-NE2 3.17Å; H385-H389 AromaticContact NE2-CD2 3.92Å; H385-H389 AromaticContact NE2-CE1 3.99Å; H385-H389 AromaticContact NE2-NE2 2.3Å; H385-H389 PolarHBondContact NE2-NE2 2.68Å; F386-H389 PolarHBondContact O-N 2.71Å; H389-G391 VanDerWaalsContact C-N 3.34Å |
| 390 | T | 91.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.9 | -178 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | W369 F386 R387 I392 | W369-T390 HydrophobicContact CZ3-CG2 4.11Å; F386-T390 HydrophobicContact CD1-CG2 3.78Å; F386-T390 HydrophobicContact CE1-CG2 3.51Å; F386-T390 HydrophobicContact CZ-CG2 4.33Å; F386-T390 PolarHBondContact O-N 3.27Å; F386-T390 VanDerWaalsContact O-N 3.12Å; F386-T390 PolarHBondContact O-OG1 2.99Å; R387-T390 WeakPolarHBondContact CA-OG1 3.46Å; T390-I392 HydrophobicContact CG2-CD1 4.49Å; T390-I392 PolarHBondContact O-N 3Å |
| 391 | G | 91.8 | Very high | 92.9 | Very high | 45 Ų | 45 | 77.6 Ų | 77.6 | 46% | 0.464 | 39% | 0.389 | S | S | . | . | trans | 63.8 | 1.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | R387 K388 H389 K393 | R387-G391 WeakPolarHBondContact O-CA 3.34Å; R387-G391 PolarHBondContact O-N 3.39Å; K388-G391 PolarHBondContact O-N 2.98Å; H389-G391 VanDerWaalsContact C-N 3.34Å; G391-K393 WeakPolarHBondContact O-CG 3.42Å; G391-K393 PolarHBondContact O-N 2.56Å | ||
| 392 | I | 91.9 | Very high | 92.9 | Very high | 95 Ų | 95 | 82.9 Ų | 82.9 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | trans | -65.8 | 117.9 | -168.5 | -63.8 | 171.6 | 0 | 0 | 0 | 111.3 | R387 T390 P394 | R387-I392 PolarHBondContact O-N 2.89Å; T390-I392 HydrophobicContact CG2-CD1 4.49Å; T390-I392 PolarHBondContact O-N 3Å; I392-P394 WeakPolarHBondContact O-CD 3.31Å | ||
| 393 | K | 93.3 | Very high | 92.9 | Very high | 131 Ų | 131 | 83 Ų | 83 | 57% | 0.57 | 41% | 0.411 | S | S | * | . | trans | -114.5 | 78.9 | -179 | -74.2 | 160.6 | 174.1 | 173.8 | 0 | 110.7 | G391 F395 S403 F404 | G391-K393 WeakPolarHBondContact O-CG 3.42Å; G391-K393 PolarHBondContact O-N 2.56Å; K393-F395 VanDerWaalsContact C-N 3.27Å; K393-F395 PolarHBondContact O-N 3.34Å; K393-S403 WeakPolarHBondContact CD-O 3.2Å; K393-F404 CarbonylContact C-O 3.6Å; K393-F404 VanDerWaalsContact CA-O 3.27Å; K393-F404 WeakPolarHBondContact CA-O 3.25Å | ||
| 394 | P | 91.1 | Very high | 92.9 | Very high | 73 Ų | 73 | 81.2 Ų | 81.2 | 47% | 0.474 | 40% | 0.396 | S | S | . | . | trans | -79.2 | -6.6 | -170.6 | 33.3 | -34 | 0 | 0 | 0 | 113.9 | I392 F404 | I392-P394 WeakPolarHBondContact O-CD 3.31Å; P394-F404 WeakPolarHBondContact CD-O 3.45Å | ||
| 395 | F | 94 | Very high | 92.9 | Very high | 63 Ų | 63 | 77.7 Ų | 77.7 | 28% | 0.276 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 85.6 | -177.6 | -57.3 | -74.2 | 0 | 0 | 0 | 110.6 | K393 S403 F404 L410 | K393-F395 VanDerWaalsContact C-N 3.27Å; K393-F395 PolarHBondContact O-N 3.34Å; F395-S403 WeakPolarHBondContact O-CA 3.48Å; F395-F404 HydrophobicContact CB-CB 4.34Å; F395-F404 WeakPolarHBondContact CB-O 3.32Å; F395-F404 PolarHBondContact N-O 3.41Å; F395-F404 WeakPolarHBondContact O-CD2 3.33Å; F395-F404 PolarHBondContact O-N 2.89Å; F395-L410 HydrophobicContact CB-CB 4.16Å; F395-L410 HydrophobicContact CB-CD2 3.85Å |
| 396 | R | 94.3 | Very high | 92.8 | Very high | 150 Ų | 150 | 80 Ų | 80 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 142.8 | 171.3 | -161.8 | -173.8 | -171.5 | 115.6 | -13.5 | 110.3 | D401 | R396-D401 IonicContact CZ-OD1 3.44Å; R396-D401 VanDerWaalsContact CZ-OD1 3.28Å; R396-D401 IonicContact NE-OD1 2.69Å; R396-D401 PolarHBondContact NE-OD1 3.39Å; R396-D401 VanDerWaalsContact NE-OD1 3.1Å; R396-D401 VanDerWaalsContact NH2-CG 3.3Å; R396-D401 IonicContact NH2-OD1 2.67Å; R396-D401 PolarHBondContact NH2-OD1 3.48Å |
| 397 | C | 95.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 79.5 Ų | 79.5 | 3% | 0.034 | 40% | 0.403 | C | S | . | . | trans | -79.9 | 149.1 | 167.6 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | E399 C400 R402 F404 L410 | C397-E399 PolarHBondContact SG-N 2.89Å; C397-E399 VanDerWaalsContact SG-N 3.42Å; C397-C400 CarbonylContact C-O 3.41Å; C397-C400 VanDerWaalsContact CB-O 3.23Å; C397-C400 WeakPolarHBondContact CB-O 3.48Å; C397-R402 PolarHBondContact N-O 2.8Å; C397-F404 HydrophobicContact CB-CE2 4.45Å; C397-L410 HydrophobicContact CB-CD1 3.53Å | ||
| 398 | T | 92.6 | Very high | 92.8 | Very high | 120 Ų | 120 | 79.2 Ų | 79.2 | 74% | 0.736 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -91.3 | -24 | 177.9 | 43.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 399 | E | 91.8 | Very high | 92.9 | Very high | 80 Ų | 80 | 74 Ų | 74 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -88.3 | -20.4 | 179.5 | -65.2 | 107.1 | -138.1 | 0 | 0 | 112.5 | C397 R414 H417 | C397-E399 PolarHBondContact SG-N 2.89Å; C397-E399 VanDerWaalsContact SG-N 3.42Å; E399-R414 IonicContact OE1-CZ 2.8Å; E399-R414 VanDerWaalsContact OE1-CZ 3.22Å; E399-R414 IonicContact OE1-NE 2.66Å; E399-R414 PolarHBondContact OE1-NE 2.88Å; E399-R414 IonicContact OE1-NH2 3.22Å; E399-R414 PolarHBondContact OE1-NH2 3.42Å; E399-R414 VanDerWaalsContact OE2-CG 3.31Å; E399-R414 WeakPolarHBondContact OE2-CG 3.49Å; E399-R414 IonicContact OE2-NE 3.41Å; E399-R414 PolarHBondContact OE2-NE 3.07Å; E399-R414 VanDerWaalsContact OE2-NE 3.11Å; E399-H417 HydrophobicContact CB-CB 4.08Å; E399-H417 VanDerWaalsContact CB-CD2 3.41Å; E399-H417 WeakPolarHBondContact CB-CD2 3.33Å; E399-H417 HydrophobicContact CG-CB 4.22Å; E399-H417 IonicContact OE2-CD2 3.28Å; E399-H417 PolarHBondContact OE2-CD2 3.16Å |
| 400 | C | 91.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 72.1 Ų | 72.1 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -157.1 | 161.3 | 163.7 | 76.6 | 0 | 0 | 0 | 0 | 111.4 | C397 R402 H413 H417 | C397-C400 CarbonylContact C-O 3.41Å; C397-C400 VanDerWaalsContact CB-O 3.23Å; C397-C400 WeakPolarHBondContact CB-O 3.48Å; C400-R402 PolarHBondContact O-N 3.44Å; C400-H413 PolarHBondContact SG-NE2 2.98Å; C400-H417 VanDerWaalsContact SG-CE1 3.5Å; C400-H417 PolarHBondContact SG-NE2 3.11Å |
| 401 | D | 90.5 | Very high | 93.2 | Very high | 121 Ų | 121 | 72.8 Ų | 72.8 | 65% | 0.647 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -72.2 | 13.9 | -169.8 | -67.4 | -58.4 | 0 | 0 | 0 | 116.9 | R396 | R396-D401 IonicContact CZ-OD1 3.44Å; R396-D401 VanDerWaalsContact CZ-OD1 3.28Å; R396-D401 IonicContact NE-OD1 2.69Å; R396-D401 PolarHBondContact NE-OD1 3.39Å; R396-D401 VanDerWaalsContact NE-OD1 3.1Å; R396-D401 VanDerWaalsContact NH2-CG 3.3Å; R396-D401 IonicContact NH2-OD1 2.67Å; R396-D401 PolarHBondContact NH2-OD1 3.48Å |
| 402 | R | 93.1 | Very high | 93.3 | Very high | 159 Ų | 159 | 75 Ų | 75 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | trans | -70.7 | 131.6 | 177 | -73.1 | -175.7 | 166.6 | 119.3 | -2.5 | 111.3 | C397 C400 F404 | C397-R402 PolarHBondContact N-O 2.8Å; C400-R402 PolarHBondContact O-N 3.44Å; R402-F404 HydrophobicContact CB-CE2 3.82Å; R402-F404 HydrophobicContact CB-CZ 3.91Å; R402-F404 WeakPolarHBondContact O-CE2 3.38Å | ||
| 403 | S | 94.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 71 Ų | 71 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.1 | 179.8 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | K393 F395 | K393-S403 WeakPolarHBondContact CD-O 3.2Å; F395-S403 WeakPolarHBondContact O-CA 3.48Å |
| 404 | F | 93.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 70.3 Ų | 70.3 | 18% | 0.184 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.9 | -172.2 | -58.3 | -91.1 | 0 | 0 | 0 | 111.8 | K393 P394 F395 C397 R402 R406 H409 L410 H413 | K393-F404 CarbonylContact C-O 3.6Å; K393-F404 VanDerWaalsContact CA-O 3.27Å; K393-F404 WeakPolarHBondContact CA-O 3.25Å; P394-F404 WeakPolarHBondContact CD-O 3.45Å; F395-F404 HydrophobicContact CB-CB 4.34Å; F395-F404 WeakPolarHBondContact CB-O 3.32Å; F395-F404 PolarHBondContact N-O 3.41Å; F395-F404 WeakPolarHBondContact O-CD2 3.33Å; F395-F404 PolarHBondContact O-N 2.89Å; C397-F404 HydrophobicContact CB-CE2 4.45Å; R402-F404 HydrophobicContact CB-CE2 3.82Å; R402-F404 HydrophobicContact CB-CZ 3.91Å; R402-F404 WeakPolarHBondContact O-CE2 3.38Å; F404-R406 VanDerWaalsContact C-N 3.35Å; F404-H409 HydrophobicContact CB-CB 4.36Å; F404-H409 HydrophobicContact CD1-CB 3.94Å; F404-H409 HydrophobicContact CG-CB 4.42Å; F404-L410 HydrophobicContact CB-CB 4.39Å; F404-L410 HydrophobicContact CD2-CB 4.03Å; F404-L410 HydrophobicContact CD2-CD1 3.98Å; F404-L410 HydrophobicContact CE2-CD1 4.15Å; F404-L410 HydrophobicContact CG-CB 4.34Å; F404-H413 HydrophobicContact CE1-CB 4.12Å; F404-H413 HydrophobicContact CE2-CB 4.09Å; F404-H413 AromaticContact CE2-CD2 3.25Å; F404-H413 WeakPolarHBondContact CE2-CD2 3.5Å; F404-H413 AromaticContact CE2-CG 3.8Å; F404-H413 HydrophobicContact CZ-CB 3.63Å; F404-H413 AromaticContact CZ-CD2 3.29Å; F404-H413 WeakPolarHBondContact CZ-CD2 3.36Å; F404-H413 AromaticContact CZ-CG 3.38Å; F404-H413 AromaticContact CZ-NE2 3.98Å |
| 405 | S | 92.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 73.9 Ų | 73.9 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -78.2 | -17 | 177.5 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | R387 | R387-S405 WeakPolarHBondContact CD-O 3.26Å; R387-S405 PolarHBondContact NH1-O 3.39Å |
| 406 | R | 93.1 | Very high | 93.4 | Very high | 62 Ų | 62 | 77.7 Ų | 77.7 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -136.8 | 149.1 | 179.9 | -58.1 | 153.2 | 50.4 | 172.9 | 7.4 | 111.7 | R384 F404 D408 H409 L410 | R384-R406 HydrophobicContact CG-CG 3.97Å; F404-R406 VanDerWaalsContact C-N 3.35Å; R406-D408 WeakPolarHBondContact CB-OD1 3.2Å; R406-D408 IonicContact CZ-OD1 3.1Å; R406-D408 IonicContact CZ-OD2 3.72Å; R406-D408 IonicContact NE-OD1 2.67Å; R406-D408 PolarHBondContact NE-OD1 3.49Å; R406-D408 IonicContact NE-OD2 2.99Å; R406-D408 PolarHBondContact NE-OD2 3.23Å; R406-D408 IonicContact NH2-OD1 2.69Å; R406-D408 IonicContact NH2-OD2 3.74Å; R406-D408 PolarHBondContact NH2-OD2 3.24Å; R406-H409 VanDerWaalsContact CD-CD2 3.43Å; R406-H409 WeakPolarHBondContact CD-CD2 3.28Å; R406-H409 VanDerWaalsContact CD-NE2 3.34Å; R406-H409 WeakPolarHBondContact CD-NE2 3.18Å; R406-H409 PolarHBondContact NE-NE2 2.72Å; R406-H409 PolarHBondContact NH1-CE1 2.57Å; R406-H409 PolarHBondContact NH1-NE2 2.94Å; R406-L410 PolarHBondContact O-N 2.94Å |
| 407 | S | 93.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 73 Ų | 73 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -73.8 | -26.9 | -178.2 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | L410 S411 | S407-L410 PolarHBondContact O-N 2.79Å; S407-S411 WeakPolarHBondContact O-CB 3.49Å; S407-S411 PolarHBondContact O-N 2.98Å; S407-S411 PolarHBondContact O-OG 3.24Å |
| 408 | D | 93.7 | Very high | 92.7 | Very high | 66 Ų | 66 | 78.6 Ų | 78.6 | 35% | 0.353 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.5 | -40.3 | 175.7 | 59.8 | -26.7 | 0 | 0 | 0 | 111.7 | R406 S411 L412 | R406-D408 WeakPolarHBondContact CB-OD1 3.2Å; R406-D408 IonicContact CZ-OD1 3.1Å; R406-D408 IonicContact CZ-OD2 3.72Å; R406-D408 IonicContact NE-OD1 2.67Å; R406-D408 PolarHBondContact NE-OD1 3.49Å; R406-D408 IonicContact NE-OD2 2.99Å; R406-D408 PolarHBondContact NE-OD2 3.23Å; R406-D408 IonicContact NH2-OD1 2.69Å; R406-D408 IonicContact NH2-OD2 3.74Å; R406-D408 PolarHBondContact NH2-OD2 3.24Å; D408-S411 CarbonylContact O-C 3.42Å; D408-S411 PolarHBondContact O-N 3.38Å; D408-L412 WeakPolarHBondContact O-CG 3.3Å; D408-L412 PolarHBondContact O-N 3.29Å |
| 409 | H | 94.5 | Very high | 91.8 | Very high | 48 Ų | 48 | 80 Ų | 80 | 22% | 0.222 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 170.5 | -63.9 | -49.8 | 0 | 0 | 0 | 112.2 | D120 F404 R406 S411 L412 H413 | D120-H409 IonicContact OD2-CE1 3.13Å; F404-H409 HydrophobicContact CB-CB 4.36Å; F404-H409 HydrophobicContact CD1-CB 3.94Å; F404-H409 HydrophobicContact CG-CB 4.42Å; R406-H409 VanDerWaalsContact CD-CD2 3.43Å; R406-H409 WeakPolarHBondContact CD-CD2 3.28Å; R406-H409 VanDerWaalsContact CD-NE2 3.34Å; R406-H409 WeakPolarHBondContact CD-NE2 3.18Å; R406-H409 PolarHBondContact NE-NE2 2.72Å; R406-H409 PolarHBondContact NH1-CE1 2.57Å; R406-H409 PolarHBondContact NH1-NE2 2.94Å; H409-S411 VanDerWaalsContact C-N 3.34Å; H409-S411 PolarHBondContact O-N 3.3Å; H409-L412 PolarHBondContact O-N 3.11Å; H409-H413 VanDerWaalsContact O-CB 3.29Å; H409-H413 WeakPolarHBondContact O-CB 3Å; H409-H413 PolarHBondContact O-N 3.11Å |
| 410 | L | 95.3 | Very high | 90.2 | Very high | 25 Ų | 25 | 86 Ų | 86 | 13% | 0.131 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 171.3 | 173 | 61.4 | 0 | 0 | 0 | 111.3 | F395 C397 F404 R406 S407 L412 H413 R414 | F395-L410 HydrophobicContact CB-CB 4.16Å; F395-L410 HydrophobicContact CB-CD2 3.85Å; C397-L410 HydrophobicContact CB-CD1 3.53Å; F404-L410 HydrophobicContact CB-CB 4.39Å; F404-L410 HydrophobicContact CD2-CB 4.03Å; F404-L410 HydrophobicContact CD2-CD1 3.98Å; F404-L410 HydrophobicContact CE2-CD1 4.15Å; F404-L410 HydrophobicContact CG-CB 4.34Å; R406-L410 PolarHBondContact O-N 2.94Å; S407-L410 PolarHBondContact O-N 2.79Å; L410-L412 VanDerWaalsContact C-N 3.32Å; L410-L412 PolarHBondContact O-N 3.4Å; L410-H413 WeakPolarHBondContact O-CB 3.27Å; L410-H413 PolarHBondContact O-N 2.64Å; L410-R414 HydrophobicContact CD1-CG 3.9Å; L410-R414 HydrophobicContact CG-CG 4.41Å; L410-R414 WeakPolarHBondContact O-CG 3.46Å; L410-R414 PolarHBondContact O-N 3.08Å |
| 411 | S | 94.3 | Very high | 90.1 | Very high | 67 Ų | 67 | 88.5 Ų | 88.5 | 47% | 0.469 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.7 | -29 | -178.9 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | S407 D408 H409 R415 | S407-S411 WeakPolarHBondContact O-CB 3.49Å; S407-S411 PolarHBondContact O-N 2.98Å; S407-S411 PolarHBondContact O-OG 3.24Å; D408-S411 CarbonylContact O-C 3.42Å; D408-S411 PolarHBondContact O-N 3.38Å; H409-S411 VanDerWaalsContact C-N 3.34Å; H409-S411 PolarHBondContact O-N 3.3Å; S411-R415 WeakPolarHBondContact O-CG 3.34Å; S411-R415 PolarHBondContact O-NE 3.27Å |
| 412 | L | 94.3 | Very high | 90.1 | Very high | 93 Ų | 93 | 86.8 Ų | 86.8 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74.4 | -44.5 | 169.4 | -75.6 | 162.7 | 0 | 0 | 0 | 110.8 | D408 H409 L410 R414 R415 | D408-L412 WeakPolarHBondContact O-CG 3.3Å; D408-L412 PolarHBondContact O-N 3.29Å; H409-L412 PolarHBondContact O-N 3.11Å; L410-L412 VanDerWaalsContact C-N 3.32Å; L410-L412 PolarHBondContact O-N 3.4Å; L412-R414 PolarHBondContact O-N 3.2Å; L412-R415 WeakPolarHBondContact O-CB 3.34Å; L412-R415 PolarHBondContact O-N 3.49Å |
| 413 | H | 94.4 | Very high | 89.9 | Confident | 11 Ų | 11 | 82.8 Ų | 82.8 | 5% | 0.051 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 179.5 | 171 | 46.8 | 0 | 0 | 0 | 112.6 | C400 F404 H409 L410 R415 R416 H417 | C400-H413 PolarHBondContact SG-NE2 2.98Å; F404-H413 HydrophobicContact CE1-CB 4.12Å; F404-H413 HydrophobicContact CE2-CB 4.09Å; F404-H413 AromaticContact CE2-CD2 3.25Å; F404-H413 WeakPolarHBondContact CE2-CD2 3.5Å; F404-H413 AromaticContact CE2-CG 3.8Å; F404-H413 HydrophobicContact CZ-CB 3.63Å; F404-H413 AromaticContact CZ-CD2 3.29Å; F404-H413 WeakPolarHBondContact CZ-CD2 3.36Å; F404-H413 AromaticContact CZ-CG 3.38Å; F404-H413 AromaticContact CZ-NE2 3.98Å; H409-H413 VanDerWaalsContact O-CB 3.29Å; H409-H413 WeakPolarHBondContact O-CB 3Å; H409-H413 PolarHBondContact O-N 3.11Å; L410-H413 WeakPolarHBondContact O-CB 3.27Å; L410-H413 PolarHBondContact O-N 2.64Å; H413-R415 PolarHBondContact O-N 3.31Å; H413-R416 WeakPolarHBondContact O-CB 3.26Å; H413-R416 PolarHBondContact O-N 3.19Å; H413-H417 AromaticContact CE1-CE1 3.72Å; H413-H417 AromaticContact CE1-NE2 3.23Å; H413-H417 PolarHBondContact CE1-NE2 2.6Å; H413-H417 AromaticContact NE2-CD2 3.93Å; H413-H417 AromaticContact NE2-CE1 3.93Å; H413-H417 AromaticContact NE2-NE2 3.1Å; H413-H417 PolarHBondContact NE2-NE2 3.14Å |
| 414 | R | 92.9 | Very high | 89.6 | Confident | 116 Ų | 116 | 85.3 Ų | 85.3 | 44% | 0.438 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.6 | -28.6 | 179.5 | -70.1 | -172.8 | 69.9 | -154.3 | 0.7 | 113.4 | E399 L410 L412 R416 H417 V418 | E399-R414 IonicContact OE1-CZ 2.8Å; E399-R414 VanDerWaalsContact OE1-CZ 3.22Å; E399-R414 IonicContact OE1-NE 2.66Å; E399-R414 PolarHBondContact OE1-NE 2.88Å; E399-R414 IonicContact OE1-NH2 3.22Å; E399-R414 PolarHBondContact OE1-NH2 3.42Å; E399-R414 VanDerWaalsContact OE2-CG 3.31Å; E399-R414 WeakPolarHBondContact OE2-CG 3.49Å; E399-R414 IonicContact OE2-NE 3.41Å; E399-R414 PolarHBondContact OE2-NE 3.07Å; E399-R414 VanDerWaalsContact OE2-NE 3.11Å; L410-R414 HydrophobicContact CD1-CG 3.9Å; L410-R414 HydrophobicContact CG-CG 4.41Å; L410-R414 WeakPolarHBondContact O-CG 3.46Å; L410-R414 PolarHBondContact O-N 3.08Å; L412-R414 PolarHBondContact O-N 3.2Å; R414-R416 PolarHBondContact O-N 3.15Å; R414-H417 PolarHBondContact O-N 2.88Å; R414-H417 VanDerWaalsContact O-N 3.13Å; R414-V418 PolarHBondContact O-N 3.12Å |
| 415 | R | 93.8 | Very high | 89.4 | Confident | 148 Ų | 148 | 88 Ų | 88 | 56% | 0.558 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62 | -25.3 | 174.8 | -48.5 | -175.9 | -162.3 | 174.2 | 4.1 | 112.6 | S411 L412 H413 V418 M419 | S411-R415 WeakPolarHBondContact O-CG 3.34Å; S411-R415 PolarHBondContact O-NE 3.27Å; L412-R415 WeakPolarHBondContact O-CB 3.34Å; L412-R415 PolarHBondContact O-N 3.49Å; H413-R415 PolarHBondContact O-N 3.31Å; R415-V418 PolarHBondContact O-N 3.48Å; R415-M419 HydrophobicContact CB-CE 3.92Å; R415-M419 VanDerWaalsContact O-CE 3.24Å; R415-M419 WeakPolarHBondContact O-CE 3.35Å; R415-M419 WeakPolarHBondContact O-CG 3.3Å; R415-M419 PolarHBondContact O-N 3.11Å |
| 416 | R | 90.6 | Very high | 89.2 | Confident | 142 Ų | 142 | 91.3 Ų | 91.3 | 54% | 0.536 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 176 | -170.7 | 176 | -66.2 | 139.4 | 2.6 | 111.8 | H413 R414 V418 M419 M420 | H413-R416 WeakPolarHBondContact O-CB 3.26Å; H413-R416 PolarHBondContact O-N 3.19Å; R414-R416 PolarHBondContact O-N 3.15Å; R416-V418 PolarHBondContact O-N 3.46Å; R416-M419 CarbonylContact O-C 3.21Å; R416-M419 PolarHBondContact O-N 2.79Å; R416-M420 HydrophobicContact CG-CE 4.27Å |
| 417 | H | 88.9 | Confident | 88.9 | Confident | 53 Ų | 53 | 93.4 Ų | 93.4 | 25% | 0.245 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -72.5 | -15 | 177 | -58.7 | -55.5 | 0 | 0 | 0 | 113.5 | E399 C400 H413 R414 | E399-H417 HydrophobicContact CB-CB 4.08Å; E399-H417 VanDerWaalsContact CB-CD2 3.41Å; E399-H417 WeakPolarHBondContact CB-CD2 3.33Å; E399-H417 HydrophobicContact CG-CB 4.22Å; E399-H417 IonicContact OE2-CD2 3.28Å; E399-H417 PolarHBondContact OE2-CD2 3.16Å; C400-H417 VanDerWaalsContact SG-CE1 3.5Å; C400-H417 PolarHBondContact SG-NE2 3.11Å; H413-H417 AromaticContact CE1-CE1 3.72Å; H413-H417 AromaticContact CE1-NE2 3.23Å; H413-H417 PolarHBondContact CE1-NE2 2.6Å; H413-H417 AromaticContact NE2-CD2 3.93Å; H413-H417 AromaticContact NE2-CE1 3.93Å; H413-H417 AromaticContact NE2-NE2 3.1Å; H413-H417 PolarHBondContact NE2-NE2 3.14Å; R414-H417 PolarHBondContact O-N 2.88Å; R414-H417 VanDerWaalsContact O-N 3.13Å |
| 418 | V | 86 | Confident | 88.5 | Confident | 121 Ų | 121 | 95.8 Ų | 95.8 | 73% | 0.733 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -1.8 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | R414 R415 R416 | R414-V418 PolarHBondContact O-N 3.12Å; R415-V418 PolarHBondContact O-N 3.48Å; R416-V418 PolarHBondContact O-N 3.46Å |
| 419 | M | 74.3 | Confident | 88.1 | Confident | 149 Ų | 149 | 98.3 Ų | 98.3 | 73% | 0.734 | 47% | 0.468 | S | S | * | . | trans | -120.1 | 24.7 | 177.1 | -70.7 | -171.7 | -76.7 | 0 | 0 | 112.1 | R415 R416 | R415-M419 HydrophobicContact CB-CE 3.92Å; R415-M419 VanDerWaalsContact O-CE 3.24Å; R415-M419 WeakPolarHBondContact O-CE 3.35Å; R415-M419 WeakPolarHBondContact O-CG 3.3Å; R415-M419 PolarHBondContact O-N 3.11Å; R416-M419 CarbonylContact O-C 3.21Å; R416-M419 PolarHBondContact O-N 2.79Å | ||
| 420 | M | 57.5 | Low | 87.5 | Confident | 206 Ų | 206 | 102.8 Ų | 102.8 | 100% | 1.015 | 49% | 0.491 | S | S | * | . | trans | -131.2 | 0 | 171.3 | -72.9 | -177.7 | 167.4 | 0 | 0 | 108.8 | R416 | R416-M420 HydrophobicContact CG-CE 4.27Š|
Retrieved 420 of 420 residues in 330.2 ms
(Link to these results)