| 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 | 40.5 | Very low | 39.2 | Very low | 250 Ų | 250 | 147.8 Ų | 147.8 | 100% | 1.232 | 81% | 0.808 | S | S | * | * | 0 | 141.6 | 0 | -68.1 | 178.1 | -114.7 | 0 | 0 | 107.7 | |||||
| 2 | Q | 33.5 | Very low | 38.9 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -101.2 | 145.3 | 178.5 | -67.9 | 160.5 | -93.5 | 0 | 0 | 110.4 | ||||
| 3 | L | 39.7 | Very low | 38.9 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -159.3 | 109.2 | 141.9 | -111.9 | 124.3 | 0 | 0 | 0 | 104.8 | ||||
| 4 | E | 37.2 | Very low | 38.7 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 59% | 0.589 | 80% | 0.796 | S | S | * | * | 57.9 | 95.2 | 71.7 | -62.2 | -60 | 124.1 | 0 | 0 | 110.6 | |||||
| 5 | H | 39.9 | Very low | 38.8 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | 90.9 | 112 | 80.1 | -105.6 | -82.3 | 0 | 0 | 0 | 112.6 | |||||
| 6 | C | 42.1 | Very low | 38.8 | Very low | 134 Ų | 134 | 151 Ų | 151 | 91% | 0.905 | 80% | 0.801 | S | S | * | * | trans | -145.8 | 104.7 | 161.5 | -88.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 7 | L | 39.2 | Very low | 38.4 | Very low | 154 Ų | 154 | 153.4 Ų | 153.4 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -105.9 | 134.1 | 170.8 | -71.9 | 168.3 | 0 | 0 | 0 | 108 | ||||
| 8 | S | 37.5 | Very low | 38.3 | Very low | 118 Ų | 118 | 154 Ų | 154 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -104.2 | 136.2 | 174.8 | -165 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | P | 42.6 | Very low | 37.9 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 154.9 | -170.9 | 31 | -35.9 | 0 | 0 | 0 | 113.6 | ||
| 10 | S | 36 | Very low | 37.8 | Very low | 96 Ų | 96 | 152 Ų | 152 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 131.1 | 174.3 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 11 | I | 42.7 | Very low | 37.4 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 118.2 | 172.3 | -61.1 | 175.7 | 0 | 0 | 0 | 109.3 | ||
| 12 | M | 36.6 | Very low | 37 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -90.9 | 102.9 | 172.8 | -73.8 | -146.8 | -59.7 | 0 | 0 | 111.7 | S14 | M12-S14 PolarHBondContact O-N 3.42Å; M12-S14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | L | 38.5 | Very low | 37.1 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 71% | 0.707 | 78% | 0.776 | S | S | * | * | trans | -77.7 | 96.9 | 170.7 | -91.3 | 161.7 | 0 | 0 | 0 | 111.5 | ||||
| 14 | S | 35.8 | Very low | 36.7 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -96 | 116.8 | 163.7 | -70.2 | 0 | 0 | 0 | 0 | 110.1 | M12 | M12-S14 PolarHBondContact O-N 3.42Å; M12-S14 VanDerWaalsContact O-N 3.17Å | ||
| 15 | K | 39.9 | Very low | 37.2 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -123.7 | 110.4 | 163.3 | -80.8 | -175.2 | 176.8 | 173.1 | 0 | 110.6 | ||||
| 16 | K | 39.2 | Very low | 37 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -86.8 | 128.6 | 169.7 | -81.2 | -178.4 | 179.4 | 176.9 | 0 | 108.9 | ||||
| 17 | F | 32.9 | Very low | 37 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | 61.5 | 150.7 | 139 | -80 | -81.9 | 0 | 0 | 0 | 122.8 | ||||
| 18 | L | 35.5 | Very low | 36.7 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 92.3 | 140.1 | 149.3 | -78.6 | 158.7 | 0 | 0 | 0 | 120.2 | ||||
| 19 | N | 30.3 | Very low | 36.9 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -118.3 | 129.4 | -170.6 | 164.6 | 24.4 | 0 | 0 | 0 | 107.1 | ||||
| 20 | V | 36 | Very low | 36.8 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -141.5 | 138.9 | 169.4 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 21 | S | 29.1 | Very low | 36.8 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -124.9 | 161.3 | 179.6 | -68.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 22 | S | 33.7 | Very low | 36.8 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 72.2 | 141.1 | 176.9 | -134.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 23 | S | 35.3 | Very low | 36.7 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -157.7 | 160.5 | 10.3 | 46.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 24 | Y | 30.6 | Very low | 36.9 | Very low | 233 Ų | 233 | 142.4 Ų | 142.4 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -102.4 | 153.1 | 169.1 | -80.4 | -86.6 | 0 | 0 | 0 | 112.6 | ||||
| 25 | P | 48.3 | Very low | 37.2 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -115.8 | 176.5 | 138.8 | 36.3 | -29.1 | 0 | 0 | 0 | 111.9 | ||||
| 26 | H | 35 | Very low | 36.9 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 89% | 0.889 | 81% | 0.81 | S | S | * | * | trans | -137.6 | 125.5 | -153.9 | -171.3 | 75 | 0 | 0 | 0 | 114 | ||||
| 27 | S | 41.9 | Very low | 36.8 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -171.8 | 139.5 | 166.8 | 56 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 28 | G | 34.3 | Very low | 37 | Very low | 82 Ų | 82 | 139.5 Ų | 139.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | cis | 154.1 | 111.3 | -4.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 29 | G | 41.2 | Very low | 37.1 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -175.1 | 127.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 30 | S | 40.3 | Very low | 37.2 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -55.2 | 163.2 | 164.7 | -87.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 31 | E | 36.5 | Very low | 37 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | cis | -178.3 | 145.1 | -6.6 | 161.6 | -179.9 | 165.1 | 0 | 0 | 108.8 | ||||
| 32 | L | 41.6 | Very low | 37.3 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | 172.9 | 156.2 | 139.5 | -95.5 | 166.9 | 0 | 0 | 0 | 110.6 | ||||
| 33 | V | 35.8 | Very low | 37.5 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -120.6 | 133.6 | -163.6 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 34 | L | 42.7 | Very low | 37.5 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -157.9 | 115.7 | 153.5 | -125.3 | 148.5 | 0 | 0 | 0 | 114.1 | ||||
| 35 | H | 41.3 | Very low | 37.7 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | 35.2 | 132.6 | 165.8 | -69.4 | -32.6 | 0 | 0 | 0 | 124.5 | ||||
| 36 | D | 33.8 | Very low | 37.1 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -62.9 | 141.9 | 167.8 | -74.7 | -78.5 | 0 | 0 | 0 | 115.6 | ||||
| 37 | H | 37.2 | Very low | 37.1 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -149.4 | 116.5 | 135.6 | -83.3 | -24.4 | 0 | 0 | 0 | 109.9 | I39 | H37-I39 PolarHBondContact O-N 3.22Š| ||
| 38 | P | 37.1 | Very low | 37 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -83.1 | 113 | -177.6 | 31 | -33.3 | 0 | 0 | 0 | 112.4 | ||||
| 39 | I | 37.2 | Very low | 37.1 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -95.2 | 113.6 | 166.4 | -62 | 179.7 | 0 | 0 | 0 | 108.8 | H37 S41 | H37-I39 PolarHBondContact O-N 3.22Å; I39-S41 PolarHBondContact O-N 3.15Å | ||
| 40 | I | 33 | Very low | 36.8 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 112.4 | 179 | -62.2 | 174.9 | 0 | 0 | 0 | 109.5 | T42 | I40-T42 HydrophobicContact CG2-CG2 4.08Š| ||
| 41 | S | 31.9 | Very low | 36.8 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -99.7 | 103.6 | 170.5 | -66 | 0 | 0 | 0 | 0 | 110.4 | I39 T43 | I39-S41 PolarHBondContact O-N 3.15Å; S41-T43 PolarHBondContact O-N 3.14Å | ||
| 42 | T | 35.4 | Very low | 36.6 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -82.7 | 96.1 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | I40 | I40-T42 HydrophobicContact CG2-CG2 4.08Š| ||
| 43 | T | 36.7 | Very low | 36.6 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -122.2 | 71.1 | 167.6 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | S41 N45 | S41-T43 PolarHBondContact O-N 3.14Å; T43-N45 PolarHBondContact O-N 3.27Å; T43-N45 VanDerWaalsContact O-N 3.14Å | ||
| 44 | D | 34.9 | Very low | 36.9 | Very low | 149 Ų | 149 | 151 Ų | 151 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -72.9 | 102.3 | 174.4 | -81.2 | -53.2 | 0 | 0 | 0 | 111 | ||||
| 45 | N | 35.3 | Very low | 36.9 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -107 | 88.5 | 166.4 | -170.6 | 10.7 | 0 | 0 | 0 | 108.4 | T43 | T43-N45 PolarHBondContact O-N 3.27Å; T43-N45 VanDerWaalsContact O-N 3.14Å | ||
| 46 | L | 36.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -107.6 | 77.2 | -169.7 | -165.6 | 72.4 | 0 | 0 | 0 | 112.7 | R48 | L46-R48 PolarHBondContact O-N 2.98Å; L46-R48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | E | 35 | Very low | 37.5 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -69.3 | 100.2 | 153.5 | -75.6 | -164.6 | 105.2 | 0 | 0 | 109.4 | ||||
| 48 | R | 38.8 | Very low | 37.5 | Very low | 212 Ų | 212 | 147.7 Ų | 147.7 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -144.7 | 130.3 | 158.7 | -171.4 | 159.4 | -75.4 | -135.5 | -0.4 | 112.4 | L46 | L46-R48 PolarHBondContact O-N 2.98Å; L46-R48 VanDerWaalsContact O-N 3.15Å | ||
| 49 | S | 36.8 | Very low | 37.9 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -69.1 | 143.7 | 175.2 | 41.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 50 | S | 34.4 | Very low | 38.3 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -104.9 | 117 | 179 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 51 | P | 40.5 | Very low | 38.9 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -98 | 141 | 173.1 | 34.8 | -30.8 | 0 | 0 | 0 | 113.4 | ||||
| 52 | L | 31.8 | Very low | 39.4 | Very low | 161 Ų | 161 | 150.9 Ų | 150.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 42 | 126.6 | 157.4 | -70.9 | 89.4 | 0 | 0 | 0 | 120.8 | ||||
| 53 | K | 41.3 | Very low | 39.7 | Very low | 216 Ų | 216 | 149.7 Ų | 149.7 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | -145.7 | 121.3 | 125.6 | -113.4 | 165 | -172 | 173.2 | 0 | 110.7 | |||||
| 54 | K | 42.8 | Very low | 40.4 | Very low | 180 Ų | 180 | 149.7 Ų | 149.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -102.4 | 125.3 | -179.3 | -180 | 178.8 | 179.1 | 178.5 | 0 | 109 | ||||
| 55 | I | 43.9 | Very low | 40.9 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -95.7 | 130.8 | 169.7 | -68.5 | 177.1 | 0 | 0 | 0 | 108.4 | ||||
| 56 | T | 39.1 | Very low | 41.6 | Very low | 105 Ų | 105 | 147 Ų | 147 | 64% | 0.644 | 78% | 0.775 | S | S | * | * | trans | -124.2 | 131.3 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 57 | R | 47.6 | Very low | 42.2 | Very low | 247 Ų | 247 | 146 Ų | 146 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | trans | -123 | 136.4 | 154.3 | -87.9 | -175.3 | 169.1 | 179.1 | -3.4 | 107 | ||||
| 58 | G | 37.1 | Very low | 42.8 | Very low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -138.2 | 153.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 59 | M | 46 | Very low | 43.6 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 94% | 0.941 | 76% | 0.761 | S | S | * | * | trans | -139.6 | 147.1 | 167.8 | -68.9 | -176.1 | 67.3 | 0 | 0 | 107.9 | ||||
| 60 | T | 45.9 | Very low | 43.9 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | -103 | 171.5 | -176.7 | 58 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 61 | N | 44.1 | Very low | 44.4 | Very low | 120 Ų | 120 | 141 Ų | 141 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | cis | -158.4 | 156.4 | 33.4 | -96 | -51.5 | 0 | 0 | 0 | 112.2 | ||||
| 62 | Q | 42.7 | Very low | 44.8 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | 32.1 | 115.7 | 132.9 | -59.9 | 172.9 | 86.9 | 0 | 0 | 119.2 | ||||
| 63 | S | 42.8 | Very low | 45.4 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | 90 | 153.2 | 86.8 | 80.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 64 | D | 50.7 | Low | 45.7 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | cis | -145.4 | 135 | 16.3 | -72 | -77.5 | 0 | 0 | 0 | 110.9 | ||||
| 65 | T | 45.8 | Very low | 46 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | 82.4 | 150.9 | 105.1 | 76.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 66 | D | 49.5 | Very low | 46.1 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | trans | 75.1 | 149.8 | 163.1 | -61.1 | -62.2 | 0 | 0 | 0 | 122.1 | ||||
| 67 | N | 49.5 | Very low | 46.2 | Very low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | cis | -169.5 | 122.3 | -47.9 | -114.4 | -17.6 | 0 | 0 | 0 | 113 | ||||
| 68 | F | 46.8 | Very low | 46 | Very low | 187 Ų | 187 | 125.5 Ų | 125.5 | 82% | 0.82 | 73% | 0.729 | S | S | * | * | trans | 61.5 | 169.6 | 149.2 | -79.4 | -113.5 | 0 | 0 | 0 | 119.9 | ||||
| 69 | P | 56.2 | Low | 46.2 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | -144.4 | 174.9 | -52.8 | 42.2 | -25.5 | 0 | 0 | 0 | 118 | |||||
| 70 | D | 42.9 | Very low | 46 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | 95.7 | 140.1 | 134.5 | -123.7 | -55.8 | 0 | 0 | 0 | 124.4 | ||||
| 71 | S | 46.3 | Very low | 45.7 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | 67.1 | 146.2 | 152.5 | -78.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 72 | K | 47.6 | Very low | 45.8 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | cis | -163.6 | 159.6 | 2.1 | -143.5 | 179.8 | 161.5 | -70.9 | 0 | 111.9 | ||||
| 73 | D | 44.7 | Very low | 46 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | 59 | 163.2 | 158.8 | -57.3 | -34.1 | 0 | 0 | 0 | 119.1 | ||||
| 74 | S | 48.4 | Very low | 45.6 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | cis | -162.9 | 156.1 | -33.9 | -92 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 75 | P | 48.7 | Very low | 45.5 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | trans | -98 | 159.8 | -172.1 | 37.3 | -35.7 | 0 | 0 | 0 | 115.8 | ||||
| 76 | G | 45.9 | Very low | 45.3 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -172.4 | 102.7 | 172 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 77 | D | 41.5 | Very low | 44.9 | Very low | 165 Ų | 165 | 135 Ų | 135 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | 48.6 | 170.1 | 128.6 | -142.6 | -8.1 | 0 | 0 | 0 | 123.8 | |||||
| 78 | V | 43.2 | Very low | 44.4 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | 86.5 | 87.6 | 163.1 | -165.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 79 | Q | 41.2 | Very low | 44 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | 57.4 | 134.3 | 115.8 | -154.5 | -176.2 | 78.3 | 0 | 0 | 121.7 | |||||
| 80 | R | 41.4 | Very low | 43.3 | Very low | 215 Ų | 215 | 133.5 Ų | 133.5 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | 148.8 | 103.1 | 112.6 | -162.7 | 171.3 | -151.2 | -138.6 | 6.7 | 118.5 | |||||
| 81 | S | 41 | Very low | 43 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | 67.9 | 135.7 | 137.3 | -58.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 82 | K | 44.8 | Very low | 42.6 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | 68.8 | 139.5 | 142.4 | -71.6 | 176.5 | 178.4 | -173.1 | 0 | 117.2 | ||||
| 83 | L | 46.8 | Very low | 42.2 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | cis | -143.6 | 163.3 | 20.4 | -67.7 | 168.9 | 0 | 0 | 0 | 112.7 | ||||
| 84 | S | 35.2 | Very low | 41.8 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -117 | 152 | 155.3 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 85 | P | 48.3 | Very low | 41.3 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | -150.3 | 138.5 | 93.1 | 42.5 | -25.4 | 0 | 0 | 0 | 114.4 | |||||
| 86 | V | 40.6 | Very low | 40.6 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | 100.2 | 144.9 | 83.4 | 164.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 87 | L | 42.5 | Very low | 40.2 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | 83.8 | 107.5 | 168.2 | -79.7 | 162.8 | 0 | 0 | 0 | 121 | ||||
| 88 | D | 38.3 | Very low | 39.9 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | 53.9 | 119 | 133.3 | -60.8 | 4.2 | 0 | 0 | 0 | 123.6 | ||||
| 89 | G | 39.3 | Very low | 39.5 | Very low | 77 Ų | 77 | 147.8 Ų | 147.8 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -179.5 | 130.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 90 | V | 40.8 | Very low | 39.6 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -99.8 | 123.8 | -164.9 | 178.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 91 | S | 36.7 | Very low | 39.6 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 38.4 | 111.8 | 155 | -55.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 92 | E | 36.8 | Very low | 39.4 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -103.9 | 169.3 | 163.5 | -89.8 | -156.9 | 114.1 | 0 | 0 | 113.9 | ||||
| 93 | L | 39.6 | Very low | 39.4 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 73% | 0.728 | 81% | 0.812 | S | S | * | * | trans | 61.2 | 92.5 | 156 | -99.2 | 62.8 | 0 | 0 | 0 | 120.6 | ||||
| 94 | R | 36 | Very low | 39.1 | Very low | 224 Ų | 224 | 141 Ų | 141 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | 12.8 | 135.8 | 123.2 | -56 | 178.8 | 179.3 | -161.7 | -0.9 | 118.4 | |||||
| 95 | H | 38 | Very low | 38.9 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | -152.9 | 160.2 | 117.4 | -98.4 | -66.5 | 0 | 0 | 0 | 110.5 | |||||
| 96 | S | 33.7 | Very low | 38.5 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -108.7 | 143.6 | -158.7 | -44.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 97 | F | 38.1 | Very low | 38.3 | Very low | 207 Ų | 207 | 150 Ų | 150 | 91% | 0.908 | 82% | 0.823 | S | S | * | * | trans | -154.4 | 108.5 | 147.1 | -157.3 | -88.7 | 0 | 0 | 0 | 111.3 | ||||
| 98 | D | 35.3 | Very low | 38 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -150.3 | 147.2 | 160.2 | -164.4 | -0.4 | 0 | 0 | 0 | 107.7 | ||||
| 99 | G | 35.6 | Very low | 37.9 | Very low | 65 Ų | 65 | 149.9 Ų | 149.9 | 67% | 0.67 | 83% | 0.826 | S | S | * | * | trans | 166.5 | 100 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 100 | S | 42.9 | Very low | 38 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -149.8 | 117.8 | 133.1 | -170.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 101 | A | 40.2 | Very low | 38.1 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -81 | 161.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 102 | A | 37.1 | Very low | 38 | Very low | 102 Ų | 102 | 153 Ų | 153 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -108.4 | 107 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 103 | D | 45 | Very low | 38.2 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -78.6 | 135 | 178.7 | -81.2 | -51.6 | 0 | 0 | 0 | 112.5 | ||||
| 104 | R | 41.8 | Very low | 38.2 | Very low | 206 Ų | 206 | 150.4 Ų | 150.4 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | trans | -148.1 | 115.5 | 165.4 | -117.3 | -163.6 | -66.5 | 176.3 | 0.6 | 111.3 | ||||
| 105 | Y | 31.2 | Very low | 38.6 | Very low | 207 Ų | 207 | 144.6 Ų | 144.6 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | 63.6 | 119.9 | 167.5 | -49.9 | -66.4 | 0 | 0 | 0 | 118.3 | ||||
| 106 | L | 39.2 | Very low | 38.8 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | -157.1 | 167.4 | 111.6 | -105.8 | 167.8 | 0 | 0 | 0 | 110.4 | |||||
| 107 | L | 35.5 | Very low | 39.5 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -117.3 | 133.2 | -162.1 | -172.5 | 80.1 | 0 | 0 | 0 | 112.3 | ||||
| 108 | S | 37.6 | Very low | 39.7 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -161.3 | 143.6 | 156.8 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 109 | Q | 35.6 | Very low | 40.5 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -136.5 | 147.6 | 172.2 | -74.3 | -171.7 | 2 | 0 | 0 | 110.1 | ||||
| 110 | S | 41.8 | Very low | 41 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -158 | 141.7 | 160.2 | 41.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 111 | S | 41.7 | Very low | 40.8 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 49.3 | 98.6 | 155.6 | 51 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 112 | Q | 34.7 | Very low | 41.1 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | 21.4 | 161.8 | 105.4 | -95.5 | -158.3 | 5 | 0 | 0 | 121.2 | |||||
| 113 | P | 41.7 | Very low | 41.3 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 59% | 0.591 | 80% | 0.804 | S | S | * | * | cis | -148.4 | 178.5 | 36 | 43.8 | -23.8 | 0 | 0 | 0 | 120.2 | ||||
| 114 | Q | 39.4 | Very low | 41.5 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 70.4 | 148.6 | 149.6 | -80.7 | 164.4 | 16.3 | 0 | 0 | 119.8 | ||||
| 115 | S | 44.2 | Very low | 41.8 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | cis | -155 | 153.7 | 8.4 | -106.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 116 | A | 43.3 | Very low | 42.4 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | 57.1 | 133.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 117 | A | 46.9 | Very low | 43 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | cis | -160 | -167.8 | -3.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 118 | T | 43.9 | Very low | 43.4 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | cis | -152.9 | -154 | 15.2 | -29 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 119 | A | 50.8 | Low | 43.8 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | -102.1 | 176 | -170 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 120 | P | 46.5 | Very low | 44.3 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | cis | -134.6 | 178.5 | -28.4 | 29.4 | -8.4 | 0 | 0 | 0 | 115.2 | ||||
| 121 | S | 38.7 | Very low | 44.4 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -83.1 | 160.6 | -174.2 | -35.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 122 | A | 46.4 | Very low | 44.8 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -150 | 143.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 123 | M | 42.4 | Very low | 45 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -96.5 | 160.8 | -177.5 | -57.8 | 172.1 | 177.9 | 0 | 0 | 112.1 | ||||
| 124 | F | 47.8 | Very low | 45.1 | Very low | 203 Ų | 203 | 132.5 Ų | 132.5 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | 168 | 134.7 | 125.4 | -88.4 | -59.9 | 0 | 0 | 0 | 112.6 | |||||
| 125 | P | 49.3 | Very low | 45.4 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -123.9 | 178.4 | 174.9 | 37.3 | -23.4 | 0 | 0 | 0 | 115.9 | ||||
| 126 | Y | 43.1 | Very low | 44.9 | Very low | 217 Ų | 217 | 129 Ų | 129 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | 75.9 | 159.4 | 174.4 | -74 | -89 | 0 | 0 | 0 | 117.2 | ||||
| 127 | P | 52.8 | Low | 44.8 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | -143.7 | 157.2 | -59.9 | 38.9 | -21 | 0 | 0 | 0 | 117.7 | |||||
| 128 | G | 42.9 | Very low | 44.2 | Very low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | 64.2 | 138.9 | 124.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 129 | Q | 45.8 | Very low | 44.2 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -150.4 | 165.7 | 146.5 | -115.9 | -175.5 | 16.5 | 0 | 0 | 111.7 | ||||
| 130 | H | 47.1 | Very low | 43.6 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -110 | 159.5 | -169 | -67 | -118 | 0 | 0 | 0 | 113.1 | ||||
| 131 | G | 42.7 | Very low | 43.2 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 160.9 | 105.5 | 160 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 132 | P | 49.5 | Very low | 43.5 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -114.4 | 152.5 | 174.9 | 38.5 | -29.6 | 0 | 0 | 0 | 114.2 | ||||
| 133 | A | 40.9 | Very low | 43.1 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | 170.3 | 117 | 143.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 134 | H | 43 | Very low | 42.9 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | 58.6 | -178.2 | 142.8 | -52.2 | -57.3 | 0 | 0 | 0 | 119.4 | ||||
| 135 | P | 44.8 | Very low | 42.9 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | -133.8 | 171.6 | -78.2 | 41.9 | -27.3 | 0 | 0 | 0 | 116.3 | |||||
| 136 | A | 34.9 | Very low | 42.4 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | 27.3 | 117.9 | 152 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 137 | F | 41 | Very low | 42.3 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -106.3 | 121.1 | 162.8 | -77.9 | -81.4 | 0 | 0 | 0 | 112.3 | ||||
| 138 | S | 34.3 | Very low | 41.8 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -125 | 105.3 | 162.7 | -72.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 139 | I | 43 | Very low | 41.5 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | trans | -132.7 | 119.9 | 170.9 | -61.8 | -179.5 | 0 | 0 | 0 | 107.5 | ||||
| 140 | G | 37.8 | Very low | 41.6 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | -105.4 | 159.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 141 | S | 39.6 | Very low | 41.3 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -154.8 | 156 | 162 | -85.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 142 | P | 44.1 | Very low | 41.3 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -119.8 | -173.5 | -159.3 | 42.6 | -30.5 | 0 | 0 | 0 | 114.7 | ||||
| 143 | S | 38.7 | Very low | 40.8 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 96.1 | 115.8 | 176.2 | -46.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 144 | R | 38.4 | Very low | 40.9 | Very low | 225 Ų | 225 | 142.2 Ų | 142.2 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | 75.2 | 96.2 | 60.7 | -74.9 | -156.5 | -77.4 | -143.2 | -2.1 | 113.9 | |||||
| 145 | Y | 46.5 | Very low | 40.7 | Very low | 241 Ų | 241 | 137.2 Ų | 137.2 | 95% | 0.945 | 78% | 0.782 | S | S | * | * | trans | -126.1 | 159.9 | 138.4 | -87.9 | -85.5 | 0 | 0 | 0 | 108.6 | ||||
| 146 | M | 40.2 | Very low | 40.4 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | -148 | 169.5 | -165.2 | -127.6 | -173 | 168.6 | 0 | 0 | 112.8 | ||||
| 147 | A | 40.6 | Very low | 40.6 | Very low | 74 Ų | 74 | 141 Ų | 141 | 61% | 0.612 | 78% | 0.781 | S | S | * | * | trans | 82.6 | 150.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 148 | H | 41.4 | Very low | 40.4 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | cis | -128.3 | 160.8 | 11.5 | -77.5 | -95.6 | 0 | 0 | 0 | 115.3 | ||||
| 149 | H | 37 | Very low | 40.5 | Very low | 171 Ų | 171 | 137 Ų | 137 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -86.8 | -168.1 | 169.7 | -81.3 | -74.3 | 0 | 0 | 0 | 110.6 | ||||
| 150 | P | 49 | Very low | 40.4 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -141.9 | 149.3 | 15.6 | 39.2 | -15.3 | 0 | 0 | 0 | 118.9 | ||||
| 151 | V | 39.8 | Very low | 40.6 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | 84.4 | 132.6 | 91.5 | 179.2 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 152 | I | 42.6 | Very low | 40.4 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -176.8 | 164.2 | 132.9 | -92.1 | 161.8 | 0 | 0 | 0 | 109.5 | ||||
| 153 | T | 39.3 | Very low | 39.9 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 63% | 0.632 | 77% | 0.765 | S | S | * | * | -143.8 | 175.8 | -120.2 | 178 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 154 | N | 42.1 | Very low | 39.9 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 93.6 | 133.1 | 166 | -50.9 | -11.3 | 0 | 0 | 0 | 116.8 | ||||
| 155 | G | 39.5 | Very low | 39.8 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | cis | 105.8 | 137.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 156 | A | 38.9 | Very low | 40.3 | Very low | 83 Ų | 83 | 129.6 Ų | 129.6 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | cis | -146.3 | -140.7 | -6.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 157 | Y | 38.2 | Very low | 40.4 | Very low | 197 Ų | 197 | 130.7 Ų | 130.7 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | cis | -163 | 160.1 | 14.5 | -56.9 | -103 | 0 | 0 | 0 | 111.9 | ||||
| 158 | N | 37.7 | Very low | 40.2 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | 44.8 | 152.2 | 134.3 | -64.2 | -5.7 | 0 | 0 | 0 | 123.9 | ||||
| 159 | S | 37.1 | Very low | 40.4 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | cis | -167.5 | 146.6 | 3.2 | -114 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 160 | L | 40.9 | Very low | 41.1 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 68.9 | 153.3 | 135.8 | -64 | 168.6 | 0 | 0 | 0 | 125.6 | ||||
| 161 | L | 41.3 | Very low | 40.9 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | 71.7 | 156.5 | 164 | -47.9 | -171.6 | 0 | 0 | 0 | 119.5 | ||||
| 162 | S | 35.2 | Very low | 41.3 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | 169.1 | 138.2 | -70 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 163 | N | 33.9 | Very low | 41.1 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 109.9 | 145 | 141.2 | -154 | 45.6 | 0 | 0 | 0 | 121.7 | ||||
| 164 | S | 39.4 | Very low | 41.5 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 71.5 | 143.5 | 156.7 | 42.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 165 | S | 36.1 | Very low | 41.6 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -144.3 | -160.2 | 176 | 65.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 166 | P | 55.8 | Low | 41.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | cis | -131.3 | 167.2 | -29.6 | 38.9 | -24.1 | 0 | 0 | 0 | 114.2 | ||||
| 167 | Q | 41.8 | Very low | 42 | Very low | 203 Ų | 203 | 139 Ų | 139 | 95% | 0.949 | 78% | 0.777 | S | S | * | * | trans | 170.9 | 149.8 | 151.7 | -99.9 | 167.2 | 18.4 | 0 | 0 | 109.1 | ||||
| 168 | G | 38.2 | Very low | 42.3 | Very low | 61 Ų | 61 | 139.1 Ų | 139.1 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | cis | 143.5 | 110.9 | -13.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 169 | Y | 45.7 | Very low | 42.1 | Very low | 239 Ų | 239 | 140.7 Ų | 140.7 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -166 | 144.9 | 161 | -95 | -64.8 | 0 | 0 | 0 | 112.2 | ||||
| 170 | P | 49.9 | Very low | 42.1 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -121.5 | 163.9 | -177.6 | 41.5 | -31.3 | 0 | 0 | 0 | 116 | ||||
| 171 | T | 45.1 | Very low | 41.8 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -158.7 | 167.8 | 153.7 | -167 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 172 | A | 48.3 | Very low | 41.6 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -87.1 | 168.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 173 | G | 39.3 | Very low | 41.7 | Very low | 62 Ų | 62 | 143 Ų | 143 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | cis | 129.1 | 127.7 | -6.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 174 | Y | 47.5 | Very low | 41.9 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -158.7 | 149.3 | 161 | -96.2 | -72.1 | 0 | 0 | 0 | 109.7 | ||||
| 175 | P | 44.2 | Very low | 42 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -111.2 | 153.1 | -171.5 | 39.2 | -30.9 | 0 | 0 | 0 | 114.9 | ||||
| 176 | Y | 44.1 | Very low | 41.8 | Very low | 232 Ų | 232 | 148.8 Ų | 148.8 | 91% | 0.91 | 81% | 0.805 | S | S | * | * | trans | -161.9 | 149.8 | 138.4 | -123.6 | -93.2 | 0 | 0 | 0 | 109.2 | ||||
| 177 | P | 43.4 | Very low | 40.8 | Very low | 107 Ų | 107 | 148 Ų | 148 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | trans | -113.1 | 144.2 | -163.7 | 37.5 | -27.6 | 0 | 0 | 0 | 115.5 | ||||
| 178 | Q | 42.9 | Very low | 40.6 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | -160.8 | 154.7 | 124.7 | -112.9 | -177.5 | 16.9 | 0 | 0 | 111.7 | |||||
| 179 | Q | 34.6 | Very low | 40.5 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -103.6 | 131.4 | -175.7 | -60.6 | 157.5 | -86.8 | 0 | 0 | 110.4 | ||||
| 180 | Y | 37.3 | Very low | 40 | Very low | 205 Ų | 205 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -155.5 | 95.5 | 144.8 | -111.6 | -72.6 | 0 | 0 | 0 | 110 | H182 | Y180-H182 AromaticContact CD1-CE1 3.7Å; Y180-H182 AromaticContact CD1-NE2 3.45Å; Y180-H182 WeakPolarHBondContact CD1-NE2 3.29Å; Y180-H182 AromaticContact CE1-CE1 3.86Å; Y180-H182 AromaticContact CE1-NE2 3.77Å | ||
| 181 | G | 33.4 | Very low | 39.2 | Very low | 75 Ų | 75 | 148.1 Ų | 148.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -92.2 | 113.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 182 | H | 38.4 | Very low | 39.1 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 68% | 0.676 | 78% | 0.78 | S | S | * | * | trans | -118.3 | 97.5 | 172.2 | -72.6 | -35.6 | 0 | 0 | 0 | 110.8 | Y180 Y184 | Y180-H182 AromaticContact CD1-CE1 3.7Å; Y180-H182 AromaticContact CD1-NE2 3.45Å; Y180-H182 WeakPolarHBondContact CD1-NE2 3.29Å; Y180-H182 AromaticContact CE1-CE1 3.86Å; Y180-H182 AromaticContact CE1-NE2 3.77Å; H182-Y184 PolarHBondContact O-N 2.71Å | ||
| 183 | S | 35.7 | Very low | 38.2 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -71 | 108 | 172.5 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | Q185 | S183-Q185 PolarHBondContact O-N 3.17Š| ||
| 184 | Y | 39.3 | Very low | 38.5 | Very low | 226 Ų | 226 | 151.9 Ų | 151.9 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | trans | -74.6 | 89.5 | 167 | -84.8 | -93.8 | 0 | 0 | 0 | 110.1 | H182 | H182-Y184 PolarHBondContact O-N 2.71Š| ||
| 185 | Q | 40.3 | Very low | 38.2 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 131.1 | 158.2 | -77.4 | -171.5 | -27.3 | 0 | 0 | 109 | S183 A187 | S183-Q185 PolarHBondContact O-N 3.17Å; Q185-A187 PolarHBondContact O-N 3.24Å |
| 186 | G | 33.2 | Very low | 38 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 118 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 187 | A | 34.4 | Very low | 37.6 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 130 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q185 | Q185-A187 PolarHBondContact O-N 3.24Š|
| 188 | P | 36.8 | Very low | 37.7 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | trans | -71.4 | -160.7 | 155.1 | -10.3 | 27.6 | 0 | 0 | 0 | 110.4 | ||||
| 189 | F | 36.2 | Very low | 38.1 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | trans | 74.8 | 80 | 163.9 | -45.9 | -71.5 | 0 | 0 | 0 | 117.3 | Q191 | F189-Q191 HydrophobicContact CB-CB 3.99Å; F189-Q191 HydrophobicContact CD1-CB 4.33Å; F189-Q191 PolarHBondContact O-N 3.34Å; F189-Q191 VanDerWaalsContact O-N 3.17Å | ||
| 190 | Y | 36.7 | Very low | 39.1 | Very low | 230 Ų | 230 | 130.7 Ų | 130.7 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | -73.4 | 75.1 | 129.2 | -85.6 | -82.8 | 0 | 0 | 0 | 108.6 | |||||
| 191 | Q | 31.8 | Very low | 39.9 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | trans | -94.8 | 101.7 | 171.3 | -175.5 | 165.7 | -13.2 | 0 | 0 | 108.2 | F189 S193 | F189-Q191 HydrophobicContact CB-CB 3.99Å; F189-Q191 HydrophobicContact CD1-CB 4.33Å; F189-Q191 PolarHBondContact O-N 3.34Å; F189-Q191 VanDerWaalsContact O-N 3.17Å; Q191-S193 PolarHBondContact O-N 3.48Å; Q191-S193 VanDerWaalsContact O-N 3.1Å | ||
| 192 | F | 42.4 | Very low | 41.5 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 74% | 0.737 | 71% | 0.713 | S | S | * | * | trans | -64.6 | 108.8 | 174.4 | -88.8 | -93.8 | 0 | 0 | 0 | 109.9 | S194 | F192-S194 PolarHBondContact O-N 3.5Š| ||
| 193 | S | 31.4 | Very low | 43.7 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | trans | -64.4 | 113.5 | 162.1 | -60.5 | 0 | 0 | 0 | 0 | 108.6 | Q191 T195 | Q191-S193 PolarHBondContact O-N 3.48Å; Q191-S193 VanDerWaalsContact O-N 3.1Å; S193-T195 PolarHBondContact O-N 3.18Å | ||
| 194 | S | 45.3 | Very low | 46.4 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 84% | 0.839 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -71 | 17.5 | -176.3 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | F192 | F192-S194 PolarHBondContact O-N 3.5Š|
| 195 | T | 39.6 | Very low | 49.1 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | trans | -138.4 | 57.4 | -166.4 | 48.5 | 0 | 0 | 0 | 0 | 112 | S193 P197 | S193-T195 PolarHBondContact O-N 3.18Å; T195-P197 VanDerWaalsContact O-CD 3.29Å; T195-P197 WeakPolarHBondContact O-CD 3.36Å | ||
| 196 | Q | 40 | Very low | 51.8 | Low | 145 Ų | 145 | 104.5 Ų | 104.5 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | trans | -92.3 | 102.9 | 162.4 | -83.1 | -69.7 | -5.9 | 0 | 0 | 109.8 | G198 | Q196-G198 PolarHBondContact O-N 2.94Š| ||
| 197 | P | 36.2 | Very low | 54.9 | Low | 128 Ų | 128 | 106.8 Ų | 106.8 | 83% | 0.831 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 98.2 | -179 | 30.4 | -34 | 0 | 0 | 0 | 110.1 | T195 | T195-P197 VanDerWaalsContact O-CD 3.29Å; T195-P197 WeakPolarHBondContact O-CD 3.36Å |
| 198 | G | 45.7 | Very low | 58 | Low | 70 Ų | 70 | 103 Ų | 103 | 72% | 0.722 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.3 | -12.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q196 V200 | Q196-G198 PolarHBondContact O-N 2.94Å; G198-V200 PolarHBondContact O-N 3.22Å; G198-V200 VanDerWaalsContact O-N 3.08Å |
| 199 | L | 51.5 | Low | 60.9 | Low | 85 Ų | 85 | 99.1 Ų | 99.1 | 45% | 0.445 | 54% | 0.539 | S | S | . | . | trans | -62 | 104.2 | 163.6 | -85 | 157.9 | 0 | 0 | 0 | 110.1 | P201 Q205 | L199-P201 WeakPolarHBondContact O-CD 3.14Å; L199-Q205 HydrophobicContact CD2-CG 4.27Å | ||
| 200 | V | 55.6 | Low | 63.8 | Low | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | trans | -71.7 | 118.9 | 166.5 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | G198 K203 | G198-V200 PolarHBondContact O-N 3.22Å; G198-V200 VanDerWaalsContact O-N 3.08Å; V200-K203 HydrophobicContact CB-CB 4.47Å; V200-K203 HydrophobicContact CB-CD 4.09Å; V200-K203 HydrophobicContact CB-CG 4.26Å; V200-K203 HydrophobicContact CG1-CD 4.03Å; V200-K203 HydrophobicContact CG1-CG 4.12Å; V200-K203 PolarHBondContact O-N 3.03Å | ||
| 201 | P | 54.3 | Low | 66.7 | Low | 125 Ų | 125 | 90.4 Ų | 90.4 | 81% | 0.812 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 143 | 178.6 | -25.8 | 35.8 | 0 | 0 | 0 | 112 | L199 K203 | L199-P201 WeakPolarHBondContact O-CD 3.14Å; P201-K203 VanDerWaalsContact C-N 3.27Å; P201-K203 PolarHBondContact O-N 3.24Å |
| 202 | G | 67 | Low | 69.9 | Low | 42 Ų | 42 | 88.2 Ų | 88.2 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -6.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q357 | G202-Q357 PolarHBondContact O-NE2 3.48Š|
| 203 | K | 84.2 | Confident | 72.6 | Confident | 130 Ų | 130 | 81.8 Ų | 81.8 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | trans | -94.1 | 115.2 | 173.3 | -66.4 | -166.1 | 179.1 | -178.6 | 0 | 111.2 | V200 P201 | V200-K203 HydrophobicContact CB-CB 4.47Å; V200-K203 HydrophobicContact CB-CD 4.09Å; V200-K203 HydrophobicContact CB-CG 4.26Å; V200-K203 HydrophobicContact CG1-CD 4.03Å; V200-K203 HydrophobicContact CG1-CG 4.12Å; V200-K203 PolarHBondContact O-N 3.03Å; P201-K203 VanDerWaalsContact C-N 3.27Å; P201-K203 PolarHBondContact O-N 3.24Å | ||
| 204 | A | 92.8 | Very high | 75.8 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 7% | 0.066 | 45% | 0.448 | C | S | . | . | trans | -67.6 | 138.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I241 S242 L244 F359 | A204-I241 HydrophobicContact CB-CG2 4.37Å; A204-S242 WeakPolarHBondContact CA-O 3.45Å; A204-L244 HydrophobicContact CB-CD2 3.57Å; A204-F359 HydrophobicContact CB-CE2 4.26Å; A204-F359 HydrophobicContact CB-CZ 3.88Å; A204-F359 WeakPolarHBondContact O-CE1 3.35Å; A204-F359 VanDerWaalsContact O-CZ 3.26Å; A204-F359 WeakPolarHBondContact O-CZ 3.43Å | ||
| 205 | Q | 95.9 | Very high | 78.3 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 33% | 0.332 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.5 | 168 | -67.3 | -178.1 | -25 | 0 | 0 | 108.4 | L199 Y207 I241 S242 | L199-Q205 HydrophobicContact CD2-CG 4.27Å; Q205-Y207 HydrophobicContact CB-CE2 4.05Å; Q205-I241 CarbonylContact O-C 3.56Å; Q205-I241 VanDerWaalsContact O-CA 3.31Å; Q205-I241 WeakPolarHBondContact O-CA 3.32Å; Q205-S242 PolarHBondContact N-O 2.92Å; Q205-S242 PolarHBondContact O-N 2.55Å |
| 206 | V | 97.8 | Very high | 81.1 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.8 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 110 | F239 I241 L337 F359 F361 | V206-F239 HydrophobicContact CG1-CB 4.1Å; V206-F239 HydrophobicContact CG1-CD1 3.91Å; V206-F239 HydrophobicContact CG1-CG 4.25Å; V206-I241 HydrophobicContact CG1-CG1 4.35Å; V206-I241 HydrophobicContact CG2-CD1 4.11Å; V206-I241 HydrophobicContact CG2-CG1 4.03Å; V206-I241 HydrophobicContact CG2-CG2 4.31Å; V206-L337 HydrophobicContact CG1-CD2 3.61Å; V206-L337 HydrophobicContact CG2-CD2 4.32Å; V206-F359 HydrophobicContact CB-CB 4.25Å; V206-F359 HydrophobicContact CB-CD1 3.8Å; V206-F359 HydrophobicContact CB-CD2 4.2Å; V206-F359 HydrophobicContact CB-CE1 4.24Å; V206-F359 HydrophobicContact CB-CG 3.79Å; V206-F359 HydrophobicContact CG1-CB 4.41Å; V206-F359 HydrophobicContact CG1-CG 4.4Å; V206-F359 HydrophobicContact CG2-CB 4.42Å; V206-F359 HydrophobicContact CG2-CD1 3.74Å; V206-F359 HydrophobicContact CG2-CD2 3.47Å; V206-F359 VanDerWaalsContact CG2-CD2 3.47Å; V206-F359 HydrophobicContact CG2-CE1 3.82Å; V206-F359 HydrophobicContact CG2-CE2 3.56Å; V206-F359 HydrophobicContact CG2-CG 3.58Å; V206-F359 HydrophobicContact CG2-CZ 3.75Å; V206-F361 HydrophobicContact CB-CZ 4.39Å; V206-F361 HydrophobicContact CG1-CE2 4.07Å; V206-F361 HydrophobicContact CG1-CZ 3.92Å |
| 207 | Y | 98.1 | Very high | 83.9 | Confident | 124 Ų | 124 | 67.2 Ų | 67.2 | 49% | 0.486 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.2 | 179.6 | -60.6 | -88.9 | 0 | 0 | 0 | 110.2 | Q205 C209 F239 N240 | Q205-Y207 HydrophobicContact CB-CE2 4.05Å; Y207-C209 PolarHBondContact O-N 3.44Å; Y207-F239 VanDerWaalsContact O-CA 3.28Å; Y207-F239 WeakPolarHBondContact O-CA 3.35Å; Y207-N240 PolarHBondContact N-O 2.85Å; Y207-N240 PolarHBondContact O-N 3.01Å |
| 208 | L | 98.6 | Very high | 86.9 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 112.7 | 173.9 | 179.9 | 70.2 | 0 | 0 | 0 | 110.4 | R211 W214 F239 F361 E363 T364 | L208-R211 HydrophobicContact CB-CB 4.47Å; L208-R211 HydrophobicContact CD2-CB 4.2Å; L208-R211 HydrophobicContact CD2-CG 4.36Å; L208-R211 HydrophobicContact CG-CB 4.39Å; L208-R211 WeakPolarHBondContact O-CB 3.38Å; L208-W214 HydrophobicContact CD2-CB 4.2Å; L208-W214 HydrophobicContact CD2-CG 3.94Å; L208-F239 HydrophobicContact CD1-CD1 4.04Å; L208-F239 HydrophobicContact CD1-CE1 3.63Å; L208-F239 HydrophobicContact CD1-CZ 4.35Å; L208-F361 HydrophobicContact CB-CD1 3.75Å; L208-F361 HydrophobicContact CB-CE1 3.82Å; L208-F361 HydrophobicContact CB-CG 4.17Å; L208-F361 HydrophobicContact CB-CZ 4.28Å; L208-F361 HydrophobicContact CD2-CB 4.29Å; L208-F361 HydrophobicContact CD2-CD1 4.43Å; L208-F361 HydrophobicContact CD2-CG 4.42Å; L208-E363 HydrophobicContact CD2-CG 3.91Å; L208-E363 WeakPolarHBondContact CD2-OE1 3.45Å; L208-T364 HydrophobicContact CD1-CG2 3.95Å; L208-T364 HydrophobicContact CD2-CG2 3.53Å; L208-T364 HydrophobicContact CG-CG2 4.43Å |
| 209 | C | 98.2 | Very high | 89.4 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 10% | 0.095 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 150.4 | 173.5 | -66 | 0 | 0 | 0 | 0 | 110.7 | Y207 R211 S238 E303 | Y207-C209 PolarHBondContact O-N 3.44Å; C209-R211 PolarHBondContact O-N 3.34Å; C209-R211 VanDerWaalsContact O-N 3.15Å; C209-S238 WeakPolarHBondContact CB-O 3.15Å; C209-S238 PolarHBondContact N-O 2.95Å; C209-E303 HydrophobicContact CB-CG 4.24Å; C209-E303 WeakPolarHBondContact CB-OE2 3.29Å; C209-E303 PolarHBondContact SG-OE2 3.49Å |
| 210 | N | 96.9 | Very high | 91.6 | Very high | 92 Ų | 92 | 70.2 Ų | 70.2 | 49% | 0.492 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 24.8 | -174.3 | -61.3 | -59.4 | 0 | 0 | 0 | 114.9 | P212 L213 W214 | N210-P212 VanDerWaalsContact C-N 3.29Å; N210-P212 VanDerWaalsContact O-N 3.13Å; N210-L213 HydrophobicContact CB-CB 4.42Å; N210-L213 WeakPolarHBondContact O-CA 3.46Å; N210-L213 WeakPolarHBondContact O-CB 3.37Å; N210-L213 PolarHBondContact O-N 3.44Å; N210-W214 PolarHBondContact O-N 3.01Å |
| 211 | R | 98 | Very high | 93.6 | Very high | 113 Ų | 113 | 70.1 Ų | 70.1 | 43% | 0.426 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -47.1 | -38.2 | 176.2 | -178.5 | 170.3 | 172.8 | 123.3 | -6.7 | 114.9 | L208 C209 L213 W214 L215 E363 | L208-R211 HydrophobicContact CB-CB 4.47Å; L208-R211 HydrophobicContact CD2-CB 4.2Å; L208-R211 HydrophobicContact CD2-CG 4.36Å; L208-R211 HydrophobicContact CG-CB 4.39Å; L208-R211 WeakPolarHBondContact O-CB 3.38Å; C209-R211 PolarHBondContact O-N 3.34Å; C209-R211 VanDerWaalsContact O-N 3.15Å; R211-L213 VanDerWaalsContact C-N 3.29Å; R211-L213 PolarHBondContact O-N 3.23Å; R211-W214 PolarHBondContact O-N 3.18Å; R211-L215 HydrophobicContact CG-CD1 4.04Å; R211-L215 HydrophobicContact CG-CG 4.33Å; R211-L215 WeakPolarHBondContact O-CG 3.28Å; R211-L215 PolarHBondContact O-N 3.02Å; R211-E363 WeakPolarHBondContact CD-OE1 3.36Å; R211-E363 HydrophobicContact CG-CG 4.45Å; R211-E363 IonicContact CZ-OE1 2.62Å; R211-E363 IonicContact CZ-OE2 3.28Å; R211-E363 IonicContact NE-OE1 3.92Å; R211-E363 PolarHBondContact NE-OE1 3.14Å; R211-E363 VanDerWaalsContact NH1-CD 3.26Å; R211-E363 IonicContact NH1-OE1 3.9Å; R211-E363 PolarHBondContact NH1-OE1 3.31Å; R211-E363 IonicContact NH1-OE2 3.45Å; R211-E363 PolarHBondContact NH1-OE2 3.14Å; R211-E363 IonicContact NH2-OE2 3.18Å |
| 212 | P | 98.5 | Very high | 95.7 | Very high | 101 Ų | 101 | 64.2 Ų | 64.2 | 66% | 0.656 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.6 | -33.9 | 173.9 | -25.9 | 36.3 | 0 | 0 | 0 | 114.2 | N210 K216 | N210-P212 VanDerWaalsContact C-N 3.29Å; N210-P212 VanDerWaalsContact O-N 3.13Å; P212-K216 PolarHBondContact O-N 3.29Å; P212-K216 VanDerWaalsContact O-N 3.15Å |
| 213 | L | 98.5 | Very high | 97.2 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.3 | -41.8 | 175.4 | -177.9 | 60 | 0 | 0 | 0 | 111.3 | N210 R211 L215 K216 F217 F234 P235 H384 | N210-L213 HydrophobicContact CB-CB 4.42Å; N210-L213 WeakPolarHBondContact O-CA 3.46Å; N210-L213 WeakPolarHBondContact O-CB 3.37Å; N210-L213 PolarHBondContact O-N 3.44Å; R211-L213 VanDerWaalsContact C-N 3.29Å; R211-L213 PolarHBondContact O-N 3.23Å; L213-L215 VanDerWaalsContact C-N 3.29Å; L213-L215 PolarHBondContact O-N 3.39Å; L213-K216 HydrophobicContact CD1-CD 4.32Å; L213-K216 WeakPolarHBondContact O-CB 3.09Å; L213-K216 PolarHBondContact O-N 3.49Å; L213-K216 VanDerWaalsContact O-N 3.13Å; L213-F217 HydrophobicContact CD1-CD2 4.13Å; L213-F217 HydrophobicContact CD1-CE2 3.83Å; L213-F217 HydrophobicContact CG-CD2 4.24Å; L213-F217 HydrophobicContact CG-CE2 4.13Å; L213-F217 WeakPolarHBondContact O-CD2 3.48Å; L213-F217 PolarHBondContact O-N 2.83Å; L213-F234 HydrophobicContact CD2-CZ 4.39Å; L213-P235 HydrophobicContact CD2-CB 4.32Å; L213-P235 HydrophobicContact CD2-CG 3.96Å; L213-P235 HydrophobicContact CG-CG 3.87Å; L213-H384 HydrophobicContact CD1-CB 3.99Å; L213-H384 WeakPolarHBondContact CD1-CD2 3.4Å; L213-H384 HydrophobicContact CD2-CB 4.43Å |
| 214 | W | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.5 | -44.2 | 171.5 | -79.5 | 105.5 | 0 | 0 | 0 | 111.7 | L208 N210 R211 K216 F217 H218 T222 M224 M233 P235 L237 E363 T364 | L208-W214 HydrophobicContact CD2-CB 4.2Å; L208-W214 HydrophobicContact CD2-CG 3.94Å; N210-W214 PolarHBondContact O-N 3.01Å; R211-W214 PolarHBondContact O-N 3.18Å; W214-K216 VanDerWaalsContact C-N 3.33Å; W214-K216 PolarHBondContact O-N 3.35Å; W214-F217 PolarHBondContact O-N 3.08Å; W214-H218 WeakPolarHBondContact O-CB 3.45Å; W214-H218 PolarHBondContact O-N 2.85Å; W214-T222 HydrophobicContact CZ3-CG2 4.46Å; W214-M224 HydrophobicContact CH2-CE 3.8Å; W214-M224 HydrophobicContact CZ3-CE 3.92Å; W214-M233 HydrophobicContact CH2-CE 4.36Å; W214-P235 HydrophobicContact CD2-CB 4.17Å; W214-P235 HydrophobicContact CD2-CG 4.32Å; W214-P235 HydrophobicContact CH2-CB 4.44Å; W214-P235 WeakPolarHBondContact CH2-O 3.44Å; W214-P235 HydrophobicContact CZ2-CB 3.9Å; W214-P235 WeakPolarHBondContact CZ2-O 3.44Å; W214-L237 HydrophobicContact CH2-CD2 3.94Å; W214-L237 HydrophobicContact CH2-CG 4.44Å; W214-L237 HydrophobicContact CZ2-CD2 3.65Å; W214-L237 HydrophobicContact CZ2-CG 4.16Å; W214-E363 HydrophobicContact CB-CG 4.03Å; W214-T364 HydrophobicContact CD2-CG2 3.85Å; W214-T364 HydrophobicContact CE3-CG2 3.96Å; W214-T364 HydrophobicContact CG-CG2 4.29Å; W214-T364 HydrophobicContact CH2-CG2 4.42Å; W214-T364 HydrophobicContact CZ2-CG2 4.32Å; W214-T364 HydrophobicContact CZ3-CG2 4.25Å |
| 215 | L | 98.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -30.9 | 175.8 | -70.7 | 168.3 | 0 | 0 | 0 | 113.6 | R211 L213 R219 E363 | R211-L215 HydrophobicContact CG-CD1 4.04Å; R211-L215 HydrophobicContact CG-CG 4.33Å; R211-L215 WeakPolarHBondContact O-CG 3.28Å; R211-L215 PolarHBondContact O-N 3.02Å; L213-L215 VanDerWaalsContact C-N 3.29Å; L213-L215 PolarHBondContact O-N 3.39Å; L215-R219 WeakPolarHBondContact O-CG 3.45Å; L215-R219 PolarHBondContact O-N 3.25Å; L215-E363 HydrophobicContact CD2-CB 3.78Å; L215-E363 HydrophobicContact CD2-CG 4.29Å; L215-E363 HydrophobicContact CG-CB 4.4Å; L215-E363 HydrophobicContact CG-CG 4.49Å |
| 216 | K | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.7 | -53.4 | 169.5 | -70 | -170.7 | -174.7 | -173.7 | 0 | 110.8 | P212 L213 W214 H218 R219 H220 L380 H384 | P212-K216 PolarHBondContact O-N 3.29Å; P212-K216 VanDerWaalsContact O-N 3.15Å; L213-K216 HydrophobicContact CD1-CD 4.32Å; L213-K216 WeakPolarHBondContact O-CB 3.09Å; L213-K216 PolarHBondContact O-N 3.49Å; L213-K216 VanDerWaalsContact O-N 3.13Å; W214-K216 VanDerWaalsContact C-N 3.33Å; W214-K216 PolarHBondContact O-N 3.35Å; K216-H218 PolarHBondContact O-N 2.74Å; K216-R219 PolarHBondContact O-N 2.68Å; K216-H220 PolarHBondContact O-CD2 3.22Å; K216-L380 HydrophobicContact CB-CD2 4.5Å; K216-L380 HydrophobicContact CD-CD2 4.42Å; K216-H384 PolarHBondContact NZ-NE2 3.03Å |
| 217 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | -179.4 | -80.8 | -78.6 | 0 | 0 | 0 | 112.7 | L213 W214 R219 H220 Q221 T222 F234 P235 I377 L380 K381 | L213-F217 HydrophobicContact CD1-CD2 4.13Å; L213-F217 HydrophobicContact CD1-CE2 3.83Å; L213-F217 HydrophobicContact CG-CD2 4.24Å; L213-F217 HydrophobicContact CG-CE2 4.13Å; L213-F217 WeakPolarHBondContact O-CD2 3.48Å; L213-F217 PolarHBondContact O-N 2.83Å; W214-F217 PolarHBondContact O-N 3.08Å; F217-R219 VanDerWaalsContact C-N 3.29Å; F217-R219 PolarHBondContact O-N 3.15Å; F217-H220 PolarHBondContact O-N 2.78Å; F217-H220 VanDerWaalsContact O-N 3.14Å; F217-Q221 PolarHBondContact O-N 3.49Å; F217-T222 VanDerWaalsContact C-OG1 3.24Å; F217-T222 HydrophobicContact CB-CG2 4.08Å; F217-T222 PolarHBondContact O-N 3.17Å; F217-T222 VanDerWaalsContact O-N 3.14Å; F217-T222 PolarHBondContact O-OG1 2.83Å; F217-F234 HydrophobicContact CE2-CD1 4.32Å; F217-F234 AromaticContact CE2-CE1 3.9Å; F217-F234 HydrophobicContact CE2-CE1 3.9Å; F217-F234 HydrophobicContact CZ-CD1 4.02Å; F217-F234 AromaticContact CZ-CE1 3.82Å; F217-F234 HydrophobicContact CZ-CE1 3.82Å; F217-P235 VanDerWaalsContact CD2-CD 3.48Å; F217-P235 HydrophobicContact CD2-CG 3.49Å; F217-P235 VanDerWaalsContact CD2-CG 3.49Å; F217-P235 HydrophobicContact CE2-CG 3.62Å; F217-P235 HydrophobicContact CG-CG 4.43Å; F217-I377 HydrophobicContact CD1-CD1 3.95Å; F217-L380 HydrophobicContact CD1-CB 4.01Å; F217-L380 HydrophobicContact CD1-CD1 4.21Å; F217-L380 HydrophobicContact CE1-CB 3.4Å; F217-L380 HydrophobicContact CE1-CD1 4.44Å; F217-L380 HydrophobicContact CE2-CB 4.36Å; F217-L380 VanDerWaalsContact CZ-C 3.48Å; F217-L380 HydrophobicContact CZ-CB 3.62Å; F217-L380 WeakPolarHBondContact CZ-O 3.24Å; F217-K381 HydrophobicContact CE1-CD 3.68Å; F217-K381 HydrophobicContact CE1-CG 4.07Å; F217-K381 HydrophobicContact CZ-CD 3.98Å; F217-K381 HydrophobicContact CZ-CG 4.47Å |
| 218 | H | 98.4 | Very high | 98 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -36.4 | -177.9 | -168 | 79.8 | 0 | 0 | 0 | 112.8 | W214 K216 H220 Q221 T222 P362 E363 | W214-H218 WeakPolarHBondContact O-CB 3.45Å; W214-H218 PolarHBondContact O-N 2.85Å; K216-H218 PolarHBondContact O-N 2.74Å; H218-H220 PolarHBondContact O-N 3.24Å; H218-Q221 PolarHBondContact O-N 3.28Å; H218-T222 WeakPolarHBondContact CA-OG1 3.27Å; H218-T222 PolarHBondContact N-OG1 2.91Å; H218-P362 PolarHBondContact CE1-O 3.4Å; H218-E363 HydrophobicContact CB-CB 4.36Å; H218-E363 WeakPolarHBondContact ND1-CA 3.21Å; H218-E363 PolarHBondContact ND1-O 2.74Å |
| 219 | R | 98.1 | Very high | 97.7 | Very high | 207 Ų | 207 | 64.1 Ų | 64.1 | 78% | 0.781 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.1 | -31.7 | 176.5 | -75 | 168.3 | 178.2 | -177.7 | -1.2 | 113.7 | L215 K216 F217 | L215-R219 WeakPolarHBondContact O-CG 3.45Å; L215-R219 PolarHBondContact O-N 3.25Å; K216-R219 PolarHBondContact O-N 2.68Å; F217-R219 VanDerWaalsContact C-N 3.29Å; F217-R219 PolarHBondContact O-N 3.15Å |
| 220 | H | 97.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 64 Ų | 64 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 16.5 | 178.9 | -59.9 | -99.7 | 0 | 0 | 0 | 112.3 | K216 F217 H218 N374 D376 I377 | K216-H220 PolarHBondContact O-CD2 3.22Å; F217-H220 PolarHBondContact O-N 2.78Å; F217-H220 VanDerWaalsContact O-N 3.14Å; H218-H220 PolarHBondContact O-N 3.24Å; H220-N374 PolarHBondContact O-ND2 2.86Å; H220-D376 HydrophobicContact CB-CB 4.24Å; H220-D376 IonicContact CE1-OD2 3.49Å; H220-D376 PolarHBondContact CE1-OD2 3.12Å; H220-D376 IonicContact CG-OD2 2.83Å; H220-D376 VanDerWaalsContact ND1-CB 3.3Å; H220-D376 WeakPolarHBondContact ND1-CB 3.47Å; H220-D376 IonicContact ND1-OD2 2.78Å; H220-D376 PolarHBondContact ND1-OD2 3.4Å; H220-I377 HydrophobicContact CB-CD1 3.66Å; H220-I377 HydrophobicContact CB-CG1 4.02Å |
| 221 | Q | 98.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 66.4 Ų | 66.4 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | trans | 57.9 | 75 | -175.6 | -57 | -177.9 | -81.7 | 0 | 0 | 113 | F217 H218 E223 | F217-Q221 PolarHBondContact O-N 3.49Å; H218-Q221 PolarHBondContact O-N 3.28Å; Q221-E223 PolarHBondContact O-N 2.91Å | ||
| 222 | T | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | trans | -29.1 | 122 | -179.8 | -47.5 | 0 | 0 | 0 | 0 | 114.4 | W214 F217 H218 M224 Q365 F366 I367 | W214-T222 HydrophobicContact CZ3-CG2 4.46Å; F217-T222 VanDerWaalsContact C-OG1 3.24Å; F217-T222 HydrophobicContact CB-CG2 4.08Å; F217-T222 PolarHBondContact O-N 3.17Å; F217-T222 VanDerWaalsContact O-N 3.14Å; F217-T222 PolarHBondContact O-OG1 2.83Å; H218-T222 WeakPolarHBondContact CA-OG1 3.27Å; H218-T222 PolarHBondContact N-OG1 2.91Å; T222-M224 HydrophobicContact CG2-CE 3.91Å; T222-Q365 WeakPolarHBondContact CB-O 3.44Å; T222-Q365 PolarHBondContact OG1-O 3.42Å; T222-F366 HydrophobicContact CG2-CB 3.81Å; T222-F366 CarbonylContact O-C 3.54Å; T222-F366 WeakPolarHBondContact O-CA 3.42Å; T222-F366 VanDerWaalsContact O-CB 3.27Å; T222-F366 WeakPolarHBondContact O-CB 3.4Å; T222-I367 PolarHBondContact O-N 3.49Å | ||
| 223 | E | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.5 | 172.4 | -55.5 | 177.1 | -166.4 | 0 | 0 | 111.1 | Q221 W271 I367 V369 Y372 Q373 N374 I377 K381 | Q221-E223 PolarHBondContact O-N 2.91Å; E223-W271 HydrophobicContact CG-CZ2 4.09Å; E223-I367 CarbonylContact C-O 3.6Å; E223-I367 WeakPolarHBondContact CA-O 3.35Å; E223-V369 HydrophobicContact CB-CG1 4.43Å; E223-V369 HydrophobicContact CB-CG2 3.96Å; E223-Y372 HydrophobicContact CB-CD1 4.03Å; E223-Y372 HydrophobicContact CB-CE1 4.38Å; E223-Y372 WeakPolarHBondContact OE2-CA 3.3Å; E223-Q373 PolarHBondContact OE1-N 2.79Å; E223-Q373 PolarHBondContact OE2-N 3.5Å; E223-N374 VanDerWaalsContact OE1-CB 3.3Å; E223-N374 WeakPolarHBondContact OE1-CB 3.37Å; E223-N374 PolarHBondContact OE1-N 3.03Å; E223-I377 HydrophobicContact CB-CG2 4.02Å; E223-I377 HydrophobicContact CG-CG1 4.32Å; E223-I377 HydrophobicContact CG-CG2 4.26Å; E223-K381 WeakPolarHBondContact O-CE 3.45Å; E223-K381 PolarHBondContact O-NZ 2.98Å |
| 224 | M | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.4 | 172.6 | -65.6 | -70 | 180 | 0 | 0 | 111.1 | W214 T222 M233 F234 L311 F366 I367 A368 V369 | W214-M224 HydrophobicContact CH2-CE 3.8Å; W214-M224 HydrophobicContact CZ3-CE 3.92Å; T222-M224 HydrophobicContact CG2-CE 3.91Å; M224-M233 HydrophobicContact CE-CB 4.32Å; M224-M233 HydrophobicContact CE-CE 3.96Å; M224-M233 HydrophobicContact CG-CE 4.42Å; M224-M233 HydrophobicContact SD-CB 4.1Å; M224-M233 HydrophobicContact SD-CE 4.47Å; M224-M233 HydrophobicContact SD-CG 4.46Å; M224-F234 WeakPolarHBondContact CE-O 3.46Å; M224-F234 PolarHBondContact SD-N 3.46Å; M224-L311 HydrophobicContact CB-CD1 3.79Å; M224-L311 HydrophobicContact CG-CD1 4.29Å; M224-F366 HydrophobicContact CB-CD2 3.51Å; M224-F366 HydrophobicContact CB-CE2 3.8Å; M224-F366 HydrophobicContact CB-CG 4.13Å; M224-F366 HydrophobicContact CG-CB 3.82Å; M224-F366 HydrophobicContact CG-CD1 4.1Å; M224-F366 HydrophobicContact CG-CD2 3.44Å; M224-F366 VanDerWaalsContact CG-CD2 3.44Å; M224-F366 HydrophobicContact CG-CE2 3.97Å; M224-F366 HydrophobicContact CG-CG 3.52Å; M224-F366 HydrophobicContact CG-CZ 4.5Å; M224-I367 PolarHBondContact N-O 3.29Å; M224-A368 WeakPolarHBondContact O-CA 3.2Å; M224-V369 PolarHBondContact O-N 2.88Å |
| 225 | I | 98.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132.8 | 176.8 | -65.4 | -76.1 | 0 | 0 | 0 | 110.1 | T227 R231 V369 Y372 | I225-T227 HydrophobicContact CG2-CG2 3.85Å; I225-R231 HydrophobicContact CB-CG 4.12Å; I225-R231 HydrophobicContact CG2-CB 4.32Å; I225-R231 HydrophobicContact CG2-CG 3.95Å; I225-R231 WeakPolarHBondContact O-CB 3.45Å; I225-V369 CarbonylContact C-O 3.55Å; I225-V369 VanDerWaalsContact CA-O 3.24Å; I225-V369 WeakPolarHBondContact CA-O 3.35Å; I225-V369 HydrophobicContact CD1-CG2 4.12Å; I225-Y372 HydrophobicContact CD1-CD1 4.03Å; I225-Y372 HydrophobicContact CD1-CD2 4.29Å; I225-Y372 HydrophobicContact CD1-CE1 3.98Å; I225-Y372 HydrophobicContact CD1-CE2 4.24Å; I225-Y372 HydrophobicContact CD1-CG 4.17Å; I225-Y372 HydrophobicContact CG1-CD1 4.12Å; I225-Y372 HydrophobicContact CG1-CE1 3.54Å; I225-Y372 HydrophobicContact CG1-CE2 3.98Å; I225-Y372 VanDerWaalsContact CG1-CZ 3.45Å |
| 226 | I | 97.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | trans | -118.8 | 138.9 | 172 | 68.4 | 178.8 | 0 | 0 | 0 | 110.6 | L311 N313 L327 A368 V369 T370 | I226-L311 HydrophobicContact CG2-CB 3.77Å; I226-L311 HydrophobicContact CG2-CD1 4.48Å; I226-N313 HydrophobicContact CD1-CB 3.73Å; I226-N313 HydrophobicContact CG1-CB 4.04Å; I226-L327 HydrophobicContact CG2-CD1 4.38Å; I226-A368 HydrophobicContact CD1-CB 4.18Å; I226-A368 HydrophobicContact CG2-CB 3.98Å; I226-V369 PolarHBondContact N-O 2.84Å; I226-T370 HydrophobicContact CG1-CG2 4.47Å | ||
| 227 | T | 96.3 | Very high | 97.4 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | trans | -141.4 | 161.7 | -176.6 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | I225 Q229 G230 R231 T312 N313 | I225-T227 HydrophobicContact CG2-CG2 3.85Å; T227-Q229 VanDerWaalsContact C-N 3.26Å; T227-Q229 PolarHBondContact O-N 3.02Å; T227-G230 PolarHBondContact O-N 2.77Å; T227-G230 PolarHBondContact OG1-N 3.32Å; T227-R231 HydrophobicContact CG2-CB 4.26Å; T227-T312 WeakPolarHBondContact O-CA 3.5Å; T227-T312 VanDerWaalsContact O-CB 3.28Å; T227-T312 WeakPolarHBondContact O-CB 3.37Å; T227-T312 PolarHBondContact O-OG1 3.12Å; T227-N313 VanDerWaalsContact C-OD1 3.26Å | ||
| 228 | K | 93.4 | Very high | 97.4 | Very high | 162 Ų | 162 | 59.4 Ų | 59.4 | 70% | 0.704 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -33.7 | 179.2 | -173.5 | 178.1 | 178.6 | -178.7 | 0 | 113.9 | N313 N314 | K228-N313 PolarHBondContact N-OD1 3.04Å; K228-N314 HydrophobicContact CG-CB 4.48Å |
| 229 | Q | 92.5 | Very high | 97.4 | Very high | 162 Ų | 162 | 56.3 Ų | 56.3 | 76% | 0.757 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.9 | 178.2 | -62.6 | -179.8 | -0.4 | 0 | 0 | 113.9 | T227 K310 | T227-Q229 VanDerWaalsContact C-N 3.26Å; T227-Q229 PolarHBondContact O-N 3.02Å; Q229-K310 PolarHBondContact O-NZ 3Å |
| 230 | G | 94.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | trans | 79.1 | 137.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | T227 L311 | T227-G230 PolarHBondContact O-N 2.77Å; T227-G230 PolarHBondContact OG1-N 3.32Å; G230-L311 CarbonylContact C-O 3.47Å; G230-L311 VanDerWaalsContact CA-O 3.29Å; G230-L311 WeakPolarHBondContact CA-O 3.46Å | ||
| 231 | R | 96.6 | Very high | 97.4 | Very high | 141 Ų | 141 | 47 Ų | 47 | 53% | 0.532 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137 | 177.6 | -171.8 | 71.4 | 173.8 | -177 | -2.2 | 110.1 | I225 T227 K310 L311 | I225-R231 HydrophobicContact CB-CG 4.12Å; I225-R231 HydrophobicContact CG2-CB 4.32Å; I225-R231 HydrophobicContact CG2-CG 3.95Å; I225-R231 WeakPolarHBondContact O-CB 3.45Å; T227-R231 HydrophobicContact CG2-CB 4.26Å; R231-K310 CarbonylContact O-C 3.59Å; R231-K310 WeakPolarHBondContact O-CA 3.42Å; R231-L311 PolarHBondContact N-O 3.3Å; R231-L311 PolarHBondContact O-N 3.13Å |
| 232 | R | 97.1 | Very high | 97.3 | Very high | 144 Ų | 144 | 44.5 Ų | 44.5 | 54% | 0.543 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 143.6 | 173.7 | -73.4 | 176.9 | 176.5 | 176.1 | 2 | 111 | G307 L309 | R232-G307 WeakPolarHBondContact CD-O 3.31Å; R232-G307 PolarHBondContact NE-O 3Å; R232-L309 WeakPolarHBondContact CA-O 3.44Å |
| 233 | M | 98.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | trans | -64.8 | 147.8 | 173.4 | -63 | -178.3 | 74.3 | 0 | 0 | 111.2 | W214 M224 P235 L237 L309 L311 P335 F366 | W214-M233 HydrophobicContact CH2-CE 4.36Å; M224-M233 HydrophobicContact CE-CB 4.32Å; M224-M233 HydrophobicContact CE-CE 3.96Å; M224-M233 HydrophobicContact CG-CE 4.42Å; M224-M233 HydrophobicContact SD-CB 4.1Å; M224-M233 HydrophobicContact SD-CE 4.47Å; M224-M233 HydrophobicContact SD-CG 4.46Å; M233-P235 CarbonylContact C-O 3.57Å; M233-L237 HydrophobicContact CE-CD1 4.22Å; M233-L237 HydrophobicContact CE-CG 4.33Å; M233-L237 HydrophobicContact SD-CD1 4.09Å; M233-L237 HydrophobicContact SD-CG 4.42Å; M233-L309 HydrophobicContact CG-CD2 4.33Å; M233-L309 HydrophobicContact SD-CD2 3.94Å; M233-L311 HydrophobicContact CE-CD1 4.49Å; M233-L311 HydrophobicContact CG-CD1 3.76Å; M233-L311 HydrophobicContact CG-CD2 4.26Å; M233-L311 HydrophobicContact CG-CG 3.84Å; M233-L311 HydrophobicContact SD-CD1 4.31Å; M233-L311 HydrophobicContact SD-CD2 4.24Å; M233-L311 HydrophobicContact SD-CG 4.42Å; M233-P335 HydrophobicContact CE-CG 4.48Å; M233-F366 HydrophobicContact CE-CD1 4.07Å; M233-F366 HydrophobicContact CE-CE1 3.73Å; M233-F366 HydrophobicContact CE-CZ 4.37Å | ||
| 234 | F | 98.5 | Very high | 97 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -145.8 | 120.3 | 166.8 | -172.3 | -86.3 | 0 | 0 | 0 | 111 | L213 F217 M224 K381 H384 N385 | L213-F234 HydrophobicContact CD2-CZ 4.39Å; F217-F234 HydrophobicContact CE2-CD1 4.32Å; F217-F234 AromaticContact CE2-CE1 3.9Å; F217-F234 HydrophobicContact CE2-CE1 3.9Å; F217-F234 HydrophobicContact CZ-CD1 4.02Å; F217-F234 AromaticContact CZ-CE1 3.82Å; F217-F234 HydrophobicContact CZ-CE1 3.82Å; M224-F234 WeakPolarHBondContact CE-O 3.46Å; M224-F234 PolarHBondContact SD-N 3.46Å; F234-K381 HydrophobicContact CD1-CD 3.95Å; F234-K381 PolarHBondContact O-NZ 2.9Å; F234-H384 HydrophobicContact CE1-CB 3.91Å; F234-H384 HydrophobicContact CZ-CB 3.86Å; F234-H384 VanDerWaalsContact CZ-O 3.29Å; F234-H384 WeakPolarHBondContact CZ-O 3.33Å; F234-N385 HydrophobicContact CD1-CB 3.96Å; F234-N385 HydrophobicContact CD2-CB 3.91Å; F234-N385 HydrophobicContact CE1-CB 3.86Å; F234-N385 HydrophobicContact CE2-CB 3.8Å; F234-N385 HydrophobicContact CG-CB 4Å; F234-N385 HydrophobicContact CZ-CB 3.8Å |
| 235 | P | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | S | Bend | cis | -56.9 | 152.4 | -7.7 | -20.7 | 34 | 0 | 0 | 0 | 111.2 | L213 W214 F217 M233 | L213-P235 HydrophobicContact CD2-CB 4.32Å; L213-P235 HydrophobicContact CD2-CG 3.96Å; L213-P235 HydrophobicContact CG-CG 3.87Å; W214-P235 HydrophobicContact CD2-CB 4.17Å; W214-P235 HydrophobicContact CD2-CG 4.32Å; W214-P235 HydrophobicContact CH2-CB 4.44Å; W214-P235 WeakPolarHBondContact CH2-O 3.44Å; W214-P235 HydrophobicContact CZ2-CB 3.9Å; W214-P235 WeakPolarHBondContact CZ2-O 3.44Å; F217-P235 VanDerWaalsContact CD2-CD 3.48Å; F217-P235 HydrophobicContact CD2-CG 3.49Å; F217-P235 VanDerWaalsContact CD2-CG 3.49Å; F217-P235 HydrophobicContact CE2-CG 3.62Å; F217-P235 HydrophobicContact CG-CG 4.43Å; M233-P235 CarbonylContact C-O 3.57Å |
| 236 | F | 98 | Very high | 96.6 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 33% | 0.333 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 154.1 | 171.9 | 53.4 | -96.1 | 0 | 0 | 0 | 109.9 | S238 S305 | F236-S238 WeakPolarHBondContact CE2-OG 3.26Å; F236-S305 WeakPolarHBondContact CD2-OG 3.17Å; F236-S305 VanDerWaalsContact CE2-OG 3.25Å; F236-S305 WeakPolarHBondContact CE2-OG 3.27Å |
| 237 | L | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 131.9 | 174.9 | -63.1 | 164.6 | 0 | 0 | 0 | 108.6 | W214 M233 F239 V254 F306 P335 T364 | W214-L237 HydrophobicContact CH2-CD2 3.94Å; W214-L237 HydrophobicContact CH2-CG 4.44Å; W214-L237 HydrophobicContact CZ2-CD2 3.65Å; W214-L237 HydrophobicContact CZ2-CG 4.16Å; M233-L237 HydrophobicContact CE-CD1 4.22Å; M233-L237 HydrophobicContact CE-CG 4.33Å; M233-L237 HydrophobicContact SD-CD1 4.09Å; M233-L237 HydrophobicContact SD-CG 4.42Å; L237-F239 HydrophobicContact CB-CE2 3.86Å; L237-F239 HydrophobicContact CB-CZ 3.98Å; L237-F239 HydrophobicContact CD2-CZ 4.21Å; L237-V254 HydrophobicContact CD1-CG1 3.91Å; L237-V254 HydrophobicContact CD1-CG2 4.37Å; L237-F306 HydrophobicContact CB-CB 4.13Å; L237-F306 WeakPolarHBondContact O-CB 3.48Å; L237-F306 PolarHBondContact O-N 3.13Å; L237-P335 HydrophobicContact CD1-CB 3.61Å; L237-P335 HydrophobicContact CD1-CG 4.02Å; L237-P335 HydrophobicContact CD2-CB 4.18Å; L237-P335 HydrophobicContact CD2-CG 4.27Å; L237-T364 HydrophobicContact CD2-CG2 3.89Å |
| 238 | S | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 135.3 | -174.7 | -126 | 0 | 0 | 0 | 0 | 108.4 | C209 F236 E303 I304 S305 | C209-S238 WeakPolarHBondContact CB-O 3.15Å; C209-S238 PolarHBondContact N-O 2.95Å; F236-S238 WeakPolarHBondContact CE2-OG 3.26Å; S238-E303 WeakPolarHBondContact CB-OE1 3.45Å; S238-E303 PolarHBondContact OG-OE1 2.82Å; S238-I304 CarbonylContact C-O 3.53Å; S238-I304 VanDerWaalsContact CA-O 3.31Å; S238-I304 WeakPolarHBondContact CA-O 3.42Å; S238-S305 WeakPolarHBondContact OG-CA 3.11Å; S238-S305 WeakPolarHBondContact OG-CB 3.48Å; S238-S305 PolarHBondContact OG-OG 3.49Å |
| 239 | F | 98.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 146.4 | -167.7 | -50.9 | -85.4 | 0 | 0 | 0 | 112.7 | V206 Y207 L208 L237 V254 I304 F306 L337 F361 | V206-F239 HydrophobicContact CG1-CB 4.1Å; V206-F239 HydrophobicContact CG1-CD1 3.91Å; V206-F239 HydrophobicContact CG1-CG 4.25Å; Y207-F239 VanDerWaalsContact O-CA 3.28Å; Y207-F239 WeakPolarHBondContact O-CA 3.35Å; L208-F239 HydrophobicContact CD1-CD1 4.04Å; L208-F239 HydrophobicContact CD1-CE1 3.63Å; L208-F239 HydrophobicContact CD1-CZ 4.35Å; L237-F239 HydrophobicContact CB-CE2 3.86Å; L237-F239 HydrophobicContact CB-CZ 3.98Å; L237-F239 HydrophobicContact CD2-CZ 4.21Å; F239-V254 HydrophobicContact CE2-CG2 4.47Å; F239-I304 PolarHBondContact N-O 3.44Å; F239-I304 PolarHBondContact O-N 3.24Å; F239-F306 HydrophobicContact CD2-CD2 4.02Å; F239-F306 AromaticContact CD2-CE2 3.93Å; F239-F306 HydrophobicContact CD2-CE2 3.93Å; F239-F306 AromaticContact CE2-CD2 3.84Å; F239-F306 HydrophobicContact CE2-CD2 3.84Å; F239-F306 AromaticContact CE2-CE2 3.93Å; F239-F306 HydrophobicContact CE2-CE2 3.93Å; F239-L337 HydrophobicContact CB-CD2 4.38Å; F239-L337 HydrophobicContact CD1-CD2 4.27Å; F239-L337 HydrophobicContact CD2-CD1 3.99Å; F239-L337 HydrophobicContact CD2-CD2 3.94Å; F239-L337 HydrophobicContact CD2-CG 4.48Å; F239-L337 HydrophobicContact CE2-CB 4.35Å; F239-L337 HydrophobicContact CE2-CD1 3.81Å; F239-L337 HydrophobicContact CE2-CD2 4.25Å; F239-L337 HydrophobicContact CE2-CG 4.37Å; F239-L337 HydrophobicContact CG-CD2 3.95Å; F239-L337 HydrophobicContact CZ-CB 4.19Å; F239-L337 HydrophobicContact CZ-CD1 4.48Å; F239-F361 AromaticContact CD1-CE2 3.95Å; F239-F361 HydrophobicContact CD1-CE2 3.95Å; F239-F361 HydrophobicContact CD1-CZ 4.45Å; F239-F361 AromaticContact CE1-CD2 3.76Å; F239-F361 HydrophobicContact CE1-CD2 3.76Å; F239-F361 AromaticContact CE1-CE2 3.58Å; F239-F361 HydrophobicContact CE1-CE2 3.58Å; F239-F361 HydrophobicContact CE1-CZ 4.44Å |
| 240 | N | 98.2 | Very high | 96.5 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.2 | 160.6 | -75.3 | -24.3 | 0 | 0 | 0 | 109.1 | Y207 E303 | Y207-N240 PolarHBondContact N-O 2.85Å; Y207-N240 PolarHBondContact O-N 3.01Å; N240-E303 VanDerWaalsContact OD1-CA 3.26Å; N240-E303 WeakPolarHBondContact OD1-CA 3.48Å; N240-E303 WeakPolarHBondContact OD1-CB 3.26Å; N240-E303 PolarHBondContact OD1-N 2.96Å |
| 241 | I | 97.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.6 | 179.7 | -54.2 | -169.9 | 0 | 0 | 0 | 110.1 | A204 Q205 V206 L244 I252 M300 I304 L337 V339 | A204-I241 HydrophobicContact CB-CG2 4.37Å; Q205-I241 CarbonylContact O-C 3.56Å; Q205-I241 VanDerWaalsContact O-CA 3.31Å; Q205-I241 WeakPolarHBondContact O-CA 3.32Å; V206-I241 HydrophobicContact CG1-CG1 4.35Å; V206-I241 HydrophobicContact CG2-CD1 4.11Å; V206-I241 HydrophobicContact CG2-CG1 4.03Å; V206-I241 HydrophobicContact CG2-CG2 4.31Å; I241-L244 HydrophobicContact CG2-CD1 3.99Å; I241-L244 HydrophobicContact CG2-CD2 4.29Å; I241-L244 HydrophobicContact CG2-CG 3.98Å; I241-I252 HydrophobicContact CD1-CD1 3.83Å; I241-M300 WeakPolarHBondContact O-CG 3.28Å; I241-I304 HydrophobicContact CB-CD1 4.39Å; I241-I304 HydrophobicContact CD1-CD1 3.48Å; I241-I304 VanDerWaalsContact CD1-CD1 3.48Å; I241-I304 HydrophobicContact CG1-CD1 3.76Å; I241-L337 HydrophobicContact CD1-CD2 4.09Å; I241-V339 HydrophobicContact CD1-CG2 3.94Å |
| 242 | S | 96.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 164 | 172.1 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | A204 Q205 | A204-S242 WeakPolarHBondContact CA-O 3.45Å; Q205-S242 PolarHBondContact N-O 2.92Å; Q205-S242 PolarHBondContact O-N 2.55Å |
| 243 | G | 94.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 83.3 | 12.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116 | M300 | G243-M300 PolarHBondContact N-SD 2.95Å; G243-M300 VanDerWaalsContact N-SD 3.42Å |
| 244 | L | 94.7 | Very high | 96.6 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -77.2 | 158.8 | 165.9 | -54.5 | 178.9 | 0 | 0 | 0 | 110.4 | A204 I241 Y250 W299 M300 V339 | A204-L244 HydrophobicContact CB-CD2 3.57Å; I241-L244 HydrophobicContact CG2-CD1 3.99Å; I241-L244 HydrophobicContact CG2-CD2 4.29Å; I241-L244 HydrophobicContact CG2-CG 3.98Å; L244-Y250 HydrophobicContact CB-CD2 4.45Å; L244-Y250 HydrophobicContact CB-CE2 3.82Å; L244-Y250 HydrophobicContact CD1-CD2 4.11Å; L244-Y250 HydrophobicContact CD1-CE2 4.31Å; L244-Y250 HydrophobicContact CD1-CG 4.43Å; L244-Y250 HydrophobicContact CD2-CD1 4.33Å; L244-Y250 HydrophobicContact CD2-CE1 4.06Å; L244-Y250 HydrophobicContact CD2-CE2 4.39Å; L244-Y250 HydrophobicContact CG-CE2 4.4Å; L244-W299 HydrophobicContact CD1-CB 3.76Å; L244-W299 HydrophobicContact CD1-CG 4.41Å; L244-M300 HydrophobicContact CB-CE 4.02Å; L244-M300 HydrophobicContact CB-CG 4.35Å; L244-M300 HydrophobicContact CB-SD 3.95Å; L244-M300 HydrophobicContact CD1-CG 4.25Å; L244-M300 HydrophobicContact CG-CG 4.32Å; L244-M300 HydrophobicContact CG-SD 4.37Å; L244-M300 PolarHBondContact N-SD 3.21Å; L244-M300 VanDerWaalsContact O-CE 3.24Å; L244-M300 WeakPolarHBondContact O-CE 3.46Å; L244-V339 HydrophobicContact CD2-CG1 3.88Å |
| 245 | D | 93.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 32.8 Ų | 32.8 | 39% | 0.39 | 19% | 0.185 | S | C | . | . | trans | -67 | 128.1 | 163.2 | -170.2 | -62.9 | 0 | 0 | 0 | 109 | T247 A248 Y250 G296 | D245-T247 PolarHBondContact O-N 2.86Å; D245-T247 WeakPolarHBondContact OD1-CA 3.46Å; D245-T247 WeakPolarHBondContact OD1-CB 3.28Å; D245-T247 PolarHBondContact OD1-N 3.42Å; D245-T247 PolarHBondContact OD1-OG1 3.28Å; D245-A248 HydrophobicContact CB-CB 3.86Å; D245-A248 PolarHBondContact OD1-N 2.95Å; D245-Y250 PolarHBondContact N-OH 3.1Å; D245-G296 VanDerWaalsContact O-CA 3.28Å; D245-G296 WeakPolarHBondContact O-CA 3.46Å | ||
| 246 | P | 95.7 | Very high | 96.4 | Very high | 73 Ų | 73 | 32.6 Ų | 32.6 | 47% | 0.474 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -59.9 | -28.6 | 179.2 | -25.2 | 35.5 | 0 | 0 | 0 | 114.5 | A297 M300 | P246-A297 HydrophobicContact CB-CB 4.15Å; P246-A297 WeakPolarHBondContact O-CB 3.41Å; P246-A297 PolarHBondContact O-N 3.46Å; P246-M300 HydrophobicContact CG-CE 4.21Å |
| 247 | T | 94.5 | Very high | 96.3 | Very high | 104 Ų | 104 | 31.7 Ų | 31.7 | 64% | 0.638 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -94.9 | -38.2 | -172.9 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | D245 | D245-T247 PolarHBondContact O-N 2.86Å; D245-T247 WeakPolarHBondContact OD1-CA 3.46Å; D245-T247 WeakPolarHBondContact OD1-CB 3.28Å; D245-T247 PolarHBondContact OD1-N 3.42Å; D245-T247 PolarHBondContact OD1-OG1 3.28Å |
| 248 | A | 93.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -62.3 | 151 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | D245 Y250 T295 G296 E341 | D245-A248 HydrophobicContact CB-CB 3.86Å; D245-A248 PolarHBondContact OD1-N 2.95Å; A248-Y250 HydrophobicContact CB-CE2 3.91Å; A248-Y250 WeakPolarHBondContact O-CD2 3.28Å; A248-Y250 WeakPolarHBondContact O-CE2 3.37Å; A248-T295 CarbonylContact O-C 3.58Å; A248-T295 WeakPolarHBondContact O-CA 3.4Å; A248-G296 PolarHBondContact O-N 2.88Å; A248-E341 HydrophobicContact CB-CG 4.29Å |
| 249 | H | 94.6 | Very high | 96.1 | Very high | 81 Ų | 81 | 35.3 Ų | 35.3 | 38% | 0.375 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 141.4 | 179.1 | -74 | 74.4 | 0 | 0 | 0 | 111.1 | N294 V342 | H249-N294 CarbonylContact C-O 3.58Å; H249-N294 WeakPolarHBondContact CA-O 3.22Å; H249-V342 HydrophobicContact CB-CB 4.04Å; H249-V342 HydrophobicContact CB-CG2 4.46Å; H249-V342 WeakPolarHBondContact O-CB 3.37Å; H249-V342 PolarHBondContact O-N 2.86Å |
| 250 | Y | 95.7 | Very high | 96 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.4 | -179.4 | -60.6 | -89.7 | 0 | 0 | 0 | 111.2 | L244 D245 A248 P293 N294 W299 V339 V340 E341 | L244-Y250 HydrophobicContact CB-CD2 4.45Å; L244-Y250 HydrophobicContact CB-CE2 3.82Å; L244-Y250 HydrophobicContact CD1-CD2 4.11Å; L244-Y250 HydrophobicContact CD1-CE2 4.31Å; L244-Y250 HydrophobicContact CD1-CG 4.43Å; L244-Y250 HydrophobicContact CD2-CD1 4.33Å; L244-Y250 HydrophobicContact CD2-CE1 4.06Å; L244-Y250 HydrophobicContact CD2-CE2 4.39Å; L244-Y250 HydrophobicContact CG-CE2 4.4Å; D245-Y250 PolarHBondContact N-OH 3.1Å; A248-Y250 HydrophobicContact CB-CE2 3.91Å; A248-Y250 WeakPolarHBondContact O-CD2 3.28Å; A248-Y250 WeakPolarHBondContact O-CE2 3.37Å; Y250-P293 WeakPolarHBondContact O-CA 3.32Å; Y250-N294 PolarHBondContact N-O 2.95Å; Y250-N294 PolarHBondContact O-N 2.8Å; Y250-W299 PolarHBondContact O-NE1 3.21Å; Y250-V339 HydrophobicContact CD1-CG1 3.75Å; Y250-V339 HydrophobicContact CE1-CG1 4.49Å; Y250-V339 HydrophobicContact CG-CG1 4.26Å; Y250-V340 CarbonylContact C-O 3.53Å; Y250-V340 VanDerWaalsContact CA-O 3.27Å; Y250-V340 WeakPolarHBondContact CA-O 3.41Å; Y250-E341 HydrophobicContact CD1-CB 3.9Å; Y250-E341 HydrophobicContact CD1-CG 4.04Å; Y250-E341 HydrophobicContact CE1-CB 3.65Å; Y250-E341 HydrophobicContact CE1-CG 3.53Å; Y250-E341 WeakPolarHBondContact CE1-OE2 3.35Å; Y250-E341 VanDerWaalsContact CZ-OE2 3.24Å; Y250-E341 PolarHBondContact OH-OE2 3.46Å |
| 251 | N | 96.2 | Very high | 95.8 | Very high | 40 Ų | 40 | 36.9 Ų | 36.9 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 135.3 | 159.5 | -76.4 | -48.3 | 0 | 0 | 0 | 109 | M288 P293 V340 | N251-M288 HydrophobicContact CB-SD 4.38Å; N251-P293 WeakPolarHBondContact OD1-CA 3.3Å; N251-P293 WeakPolarHBondContact OD1-CB 3.45Å; N251-V340 PolarHBondContact N-O 3.28Å; N251-V340 PolarHBondContact O-N 3.06Å |
| 252 | I | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.5 | 176.5 | -57.2 | -167 | 0 | 0 | 0 | 109.6 | I241 H289 S292 W299 I304 F306 L337 H338 V339 | I241-I252 HydrophobicContact CD1-CD1 3.83Å; I252-H289 WeakPolarHBondContact O-CB 3.13Å; I252-H289 PolarHBondContact O-N 3.42Å; I252-S292 PolarHBondContact N-OG 2.92Å; I252-S292 PolarHBondContact O-OG 2.92Å; I252-W299 HydrophobicContact CB-CH2 4.17Å; I252-W299 HydrophobicContact CB-CZ2 4.13Å; I252-W299 HydrophobicContact CB-CZ3 4.45Å; I252-W299 HydrophobicContact CD1-CB 3.91Å; I252-W299 HydrophobicContact CD1-CD2 3.43Å; I252-W299 VanDerWaalsContact CD1-CD2 3.43Å; I252-W299 HydrophobicContact CD1-CE3 3.88Å; I252-W299 HydrophobicContact CD1-CG 3.46Å; I252-W299 VanDerWaalsContact CD1-CG 3.46Å; I252-W299 HydrophobicContact CD1-CZ2 4.37Å; I252-W299 HydrophobicContact CD1-CZ3 4.5Å; I252-W299 HydrophobicContact CG1-CD2 3.99Å; I252-W299 HydrophobicContact CG1-CE3 4.46Å; I252-W299 HydrophobicContact CG1-CG 4.32Å; I252-W299 HydrophobicContact CG1-CH2 4.46Å; I252-W299 HydrophobicContact CG1-CZ2 4Å; I252-I304 HydrophobicContact CD1-CD1 3.95Å; I252-F306 HydrophobicContact CG2-CZ 4.23Å; I252-L337 HydrophobicContact CG2-CD1 3.75Å; I252-L337 HydrophobicContact CG2-CG 4.37Å; I252-H338 WeakPolarHBondContact CA-O 3.31Å; I252-V339 HydrophobicContact CD1-CG1 4.23Å; I252-V339 HydrophobicContact CD1-CG2 4.13Å; I252-V339 HydrophobicContact CG1-CG1 4.23Å; I252-V339 HydrophobicContact CG1-CG2 4.33Å |
| 253 | F | 97.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 40.1 Ų | 40.1 | 20% | 0.197 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 162.1 | -175.2 | 64.5 | -98.7 | 0 | 0 | 0 | 112.6 | V286 Y287 M288 H338 V340 | F253-V286 HydrophobicContact CB-CG1 4.27Å; F253-V286 HydrophobicContact CD2-CG1 3.66Å; F253-V286 HydrophobicContact CE2-CG1 4.25Å; F253-V286 HydrophobicContact CG-CG1 4.16Å; F253-Y287 VanDerWaalsContact CA-O 3.31Å; F253-Y287 WeakPolarHBondContact CA-O 3.4Å; F253-Y287 VanDerWaalsContact CB-O 3.3Å; F253-Y287 WeakPolarHBondContact CB-O 3.49Å; F253-M288 HydrophobicContact CB-SD 4.16Å; F253-M288 HydrophobicContact CD1-SD 4.33Å; F253-H338 HydrophobicContact CD1-CB 4.23Å; F253-H338 HydrophobicContact CD2-CB 3.85Å; F253-H338 AromaticContact CD2-CD2 3.65Å; F253-H338 AromaticContact CD2-CG 3.96Å; F253-H338 HydrophobicContact CE1-CB 3.92Å; F253-H338 HydrophobicContact CE2-CB 3.5Å; F253-H338 AromaticContact CE2-CD2 3.37Å; F253-H338 WeakPolarHBondContact CE2-CD2 3.48Å; F253-H338 AromaticContact CE2-CG 3.41Å; F253-H338 VanDerWaalsContact CE2-CG 3.41Å; F253-H338 HydrophobicContact CG-CB 4.21Å; F253-H338 HydrophobicContact CZ-CB 3.54Å; F253-H338 AromaticContact CZ-CG 3.81Å; F253-H338 PolarHBondContact N-O 3.09Å; F253-H338 VanDerWaalsContact N-O 3.08Å; F253-H338 PolarHBondContact O-N 3.38Å; F253-V340 HydrophobicContact CE1-CG2 3.6Å; F253-V340 HydrophobicContact CZ-CG2 4.15Å |
| 254 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.9 | 173.3 | 166.9 | 0 | 0 | 0 | 0 | 109.3 | L237 F239 V256 V286 Y287 F306 L309 P335 R336 L337 | L237-V254 HydrophobicContact CD1-CG1 3.91Å; L237-V254 HydrophobicContact CD1-CG2 4.37Å; F239-V254 HydrophobicContact CE2-CG2 4.47Å; V254-V256 HydrophobicContact CG1-CG2 4.29Å; V254-V286 CarbonylContact O-C 3.6Å; V254-V286 WeakPolarHBondContact O-CA 3.38Å; V254-Y287 PolarHBondContact N-O 2.83Å; V254-Y287 PolarHBondContact O-N 2.91Å; V254-F306 HydrophobicContact CB-CD1 4.29Å; V254-F306 HydrophobicContact CB-CE1 4.18Å; V254-F306 HydrophobicContact CG2-CD1 3.82Å; V254-F306 HydrophobicContact CG2-CD2 4.13Å; V254-F306 HydrophobicContact CG2-CE1 3.66Å; V254-F306 HydrophobicContact CG2-CE2 3.98Å; V254-F306 HydrophobicContact CG2-CG 4.06Å; V254-F306 HydrophobicContact CG2-CZ 3.74Å; V254-L309 HydrophobicContact CB-CD1 4.37Å; V254-L309 HydrophobicContact CG1-CD1 4.31Å; V254-P335 HydrophobicContact CG1-CB 4.32Å; V254-R336 VanDerWaalsContact CA-O 3.28Å; V254-R336 WeakPolarHBondContact CA-O 3.25Å; V254-L337 HydrophobicContact CG2-CD1 3.8Å |
| 255 | D | 96.4 | Very high | 96 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 158 | 160.9 | 85.1 | -32.7 | 0 | 0 | 0 | 111 | I257 R285 V286 P335 R336 H338 | D255-I257 VanDerWaalsContact OD2-CG2 3.28Å; D255-I257 WeakPolarHBondContact OD2-CG2 3.45Å; D255-R285 WeakPolarHBondContact CA-O 3.42Å; D255-V286 HydrophobicContact CB-CG2 4.1Å; D255-P335 WeakPolarHBondContact O-CA 3.36Å; D255-R336 PolarHBondContact N-O 3.07Å; D255-R336 VanDerWaalsContact N-O 3.07Å; D255-R336 PolarHBondContact O-N 2.84Å; D255-R336 VanDerWaalsContact OD1-CB 3.31Å; D255-R336 WeakPolarHBondContact OD1-CB 3.08Å; D255-R336 VanDerWaalsContact OD1-CD 3.3Å; D255-R336 WeakPolarHBondContact OD1-CD 3.43Å; D255-R336 IonicContact OD1-CZ 3.93Å; D255-R336 IonicContact OD1-NE 3.8Å; D255-R336 IonicContact OD1-NH1 3.46Å; D255-R336 PolarHBondContact OD1-NH1 3.46Å; D255-R336 IonicContact OD2-CZ 3.74Å; D255-R336 IonicContact OD2-NH1 3.81Å; D255-R336 PolarHBondContact OD2-NH1 2.95Å; D255-H338 VanDerWaalsContact CG-NE2 3.27Å; D255-H338 IonicContact OD1-CD2 3.58Å; D255-H338 IonicContact OD1-CE1 3.71Å; D255-H338 IonicContact OD1-NE2 3.86Å; D255-H338 PolarHBondContact OD1-NE2 3.22Å; D255-H338 IonicContact OD2-NE2 2.77Å |
| 256 | V | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 103.8 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | V254 R285 V325 L327 Y333 F366 | V254-V256 HydrophobicContact CG1-CG2 4.29Å; V256-R285 PolarHBondContact N-O 2.8Å; V256-R285 VanDerWaalsContact N-O 3.11Å; V256-R285 PolarHBondContact O-NH1 3.32Å; V256-V325 HydrophobicContact CB-CG1 3.93Å; V256-V325 HydrophobicContact CG2-CG1 3.95Å; V256-L327 HydrophobicContact CB-CD2 4.25Å; V256-L327 HydrophobicContact CG1-CD1 4.47Å; V256-L327 HydrophobicContact CG1-CD2 3.74Å; V256-Y333 HydrophobicContact CG1-CD1 3.95Å; V256-Y333 HydrophobicContact CG1-CG 4.02Å; V256-F366 HydrophobicContact CG1-CE1 4.31Å; V256-F366 HydrophobicContact CG1-CZ 4.09Å |
| 257 | I | 95.8 | Very high | 96.3 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 30% | 0.297 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 160.9 | 178.8 | 64.2 | 164.3 | 0 | 0 | 0 | 111.2 | D255 Y333 Q334 | D255-I257 VanDerWaalsContact OD2-CG2 3.28Å; D255-I257 WeakPolarHBondContact OD2-CG2 3.45Å; I257-Y333 CarbonylContact O-C 3.42Å; I257-Y333 VanDerWaalsContact O-CA 3.22Å; I257-Y333 WeakPolarHBondContact O-CA 3.38Å; I257-Y333 WeakPolarHBondContact O-CB 3.25Å; I257-Y333 WeakPolarHBondContact O-CD1 3.41Å; I257-Q334 HydrophobicContact CG1-CB 4.07Å; I257-Q334 WeakPolarHBondContact CG1-O 3.12Å; I257-Q334 PolarHBondContact N-O 3.08Å; I257-Q334 VanDerWaalsContact N-O 3.09Å; I257-Q334 PolarHBondContact O-N 3.21Å |
| 258 | L | 96.2 | Very high | 96.3 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 138.1 | 167.5 | -75.1 | 167.7 | 0 | 0 | 0 | 109.2 | A277 V281 H331 Y333 | L258-A277 HydrophobicContact CD1-CB 4.39Å; L258-V281 HydrophobicContact CD1-CG2 4.01Å; L258-H331 HydrophobicContact CD2-CB 3.97Å; L258-Y333 HydrophobicContact CD2-CD1 4.01Å; L258-Y333 HydrophobicContact CD2-CE1 3.48Å; L258-Y333 VanDerWaalsContact CD2-CE1 3.48Å; L258-Y333 HydrophobicContact CG-CD1 4.47Å; L258-Y333 HydrophobicContact CG-CE1 4.08Å |
| 259 | A | 96.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -26.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K332 Q334 | A259-K332 HydrophobicContact CB-CB 4.27Å; A259-K332 HydrophobicContact CB-CD 4.1Å; A259-K332 HydrophobicContact CB-CG 4.01Å; A259-K332 PolarHBondContact N-O 3.28Å; A259-Q334 HydrophobicContact CB-CB 4.2Å |
| 260 | D | 95.3 | Very high | 96.6 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 160.9 | 175.7 | 67.6 | 75.3 | 0 | 0 | 0 | 110.5 | N262 W264 K332 | D260-N262 VanDerWaalsContact C-N 3.27Å; D260-N262 PolarHBondContact O-N 2.86Å; D260-N262 VanDerWaalsContact OD1-CB 3.29Å; D260-N262 WeakPolarHBondContact OD1-CB 3.31Å; D260-N262 PolarHBondContact OD1-N 2.99Å; D260-N262 PolarHBondContact OD1-ND2 2.88Å; D260-W264 PolarHBondContact OD1-NE1 3.23Å; D260-W264 WeakPolarHBondContact OD2-CZ2 3.42Å; D260-W264 PolarHBondContact OD2-NE1 3.23Å; D260-K332 VanDerWaalsContact OD2-CB 3.32Å; D260-K332 WeakPolarHBondContact OD2-CB 3.22Å; D260-K332 WeakPolarHBondContact OD2-CD 3.3Å |
| 261 | P | 95.2 | Very high | 96.7 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 24.9 | -174.6 | 37.4 | -37.6 | 0 | 0 | 0 | 113.3 | K276 A277 | P261-K276 WeakPolarHBondContact O-CA 3.26Å; P261-K276 WeakPolarHBondContact O-CD 3.43Å; P261-A277 PolarHBondContact O-N 3.13Å |
| 262 | N | 96.2 | Very high | 96.7 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 144.8 | -177 | -45.2 | -71.6 | 0 | 0 | 0 | 111.7 | D260 W264 P273 G275 | D260-N262 VanDerWaalsContact C-N 3.27Å; D260-N262 PolarHBondContact O-N 2.86Å; D260-N262 VanDerWaalsContact OD1-CB 3.29Å; D260-N262 WeakPolarHBondContact OD1-CB 3.31Å; D260-N262 PolarHBondContact OD1-N 2.99Å; D260-N262 PolarHBondContact OD1-ND2 2.88Å; N262-W264 VanDerWaalsContact O-CD1 3.25Å; N262-P273 HydrophobicContact CB-CB 4.05Å; N262-G275 WeakPolarHBondContact CA-O 3.29Å |
| 263 | H | 96.7 | Very high | 96.8 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 31% | 0.31 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 134.1 | 160.2 | -174.8 | -150.6 | 0 | 0 | 0 | 107.4 | C274 G275 L330 H331 | H263-C274 PolarHBondContact O-N 3.02Å; H263-C274 PolarHBondContact O-SG 3.2Å; H263-G275 PolarHBondContact N-O 3.31Å; H263-G275 PolarHBondContact O-N 3.36Å; H263-L330 PolarHBondContact CD2-O 3.02Å; H263-H331 AromaticContact CD2-CE1 3.54Å; H263-H331 AromaticContact CD2-ND1 3.95Å |
| 264 | W | 98 | Very high | 96.7 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 159.3 | -171.2 | -69.7 | 83.6 | 0 | 0 | 0 | 112.4 | D260 N262 W271 V272 L330 | D260-W264 PolarHBondContact OD1-NE1 3.23Å; D260-W264 WeakPolarHBondContact OD2-CZ2 3.42Å; D260-W264 PolarHBondContact OD2-NE1 3.23Å; N262-W264 VanDerWaalsContact O-CD1 3.25Å; W264-W271 HydrophobicContact CB-CE3 3.87Å; W264-W271 HydrophobicContact CB-CZ3 4.05Å; W264-W271 HydrophobicContact CE3-CB 3.94Å; W264-W271 HydrophobicContact CZ3-CB 4.2Å; W264-V272 CarbonylContact C-O 3.58Å; W264-L330 WeakPolarHBondContact CB-O 3.42Å; W264-L330 PolarHBondContact N-O 2.95Å; W264-L330 WeakPolarHBondContact O-CB 3.41Å |
| 265 | R | 97.9 | Very high | 96.5 | Very high | 112 Ų | 112 | 55.8 Ų | 55.8 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 150.9 | 167.1 | 66.3 | -174.5 | -174.5 | -162 | 9.2 | 110.5 | Q267 V272 C274 | R265-Q267 HydrophobicContact CG-CG 4.17Å; R265-V272 HydrophobicContact CG-CG2 3.61Å; R265-V272 PolarHBondContact N-O 2.77Å; R265-V272 PolarHBondContact O-N 3.26Å; R265-C274 HydrophobicContact CB-CB 4.37Å; R265-C274 HydrophobicContact CG-CB 3.82Å |
| 266 | F | 98.2 | Very high | 96.4 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 20% | 0.202 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.2 | 174 | -165 | -111.4 | 0 | 0 | 0 | 109.7 | G269 K270 W271 Q373 N374 | F266-G269 VanDerWaalsContact CE2-C 3.46Å; F266-G269 WeakPolarHBondContact CZ-O 3.24Å; F266-K270 WeakPolarHBondContact CA-O 3.31Å; F266-K270 VanDerWaalsContact CD2-C 3.49Å; F266-W271 HydrophobicContact CB-CD2 4.22Å; F266-W271 HydrophobicContact CB-CE3 4.18Å; F266-W271 HydrophobicContact CB-CH2 4.36Å; F266-W271 HydrophobicContact CB-CZ2 4.35Å; F266-W271 HydrophobicContact CB-CZ3 4.26Å; F266-W271 AromaticContact CD2-CD1 3.64Å; F266-W271 AromaticContact CD2-CD2 3.87Å; F266-W271 HydrophobicContact CD2-CD2 3.87Å; F266-W271 AromaticContact CD2-CE2 3.81Å; F266-W271 AromaticContact CD2-CG 3.81Å; F266-W271 HydrophobicContact CD2-CG 3.81Å; F266-W271 AromaticContact CD2-NE1 3.61Å; F266-W271 AromaticContact CE2-CD1 3.93Å; F266-W271 HydrophobicContact CE2-CG 4.47Å; F266-W271 AromaticContact CE2-NE1 4Å; F266-Q373 HydrophobicContact CB-CB 3.59Å; F266-Q373 HydrophobicContact CB-CG 4.07Å; F266-Q373 HydrophobicContact CD1-CB 3.75Å; F266-Q373 HydrophobicContact CD2-CB 4.37Å; F266-Q373 HydrophobicContact CE1-CB 4.49Å; F266-Q373 VanDerWaalsContact CE1-O 3.27Å; F266-Q373 WeakPolarHBondContact CE1-O 3.44Å; F266-Q373 HydrophobicContact CG-CB 3.67Å; F266-N374 HydrophobicContact CE1-CB 4.47Å; F266-N374 HydrophobicContact CE2-CB 4.13Å; F266-N374 HydrophobicContact CZ-CB 3.83Å |
| 267 | Q | 96.7 | Very high | 95.9 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 138.5 | -179.3 | -71.3 | -172.1 | -30.5 | 0 | 0 | 110.2 | R265 G269 K270 | R265-Q267 HydrophobicContact CG-CG 4.17Å; Q267-G269 PolarHBondContact O-N 2.88Å; Q267-K270 PolarHBondContact N-O 2.98Å; Q267-K270 PolarHBondContact O-N 2.82Å |
| 268 | G | 95.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 63.1 Ų | 63.1 | 86% | 0.856 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 35 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K270 | G268-K270 VanDerWaalsContact C-N 3.28Å; G268-K270 PolarHBondContact O-N 2.8Å |
| 269 | G | 95.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 67.3 Ų | 67.3 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 11.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F266 Q267 | F266-G269 VanDerWaalsContact CE2-C 3.46Å; F266-G269 WeakPolarHBondContact CZ-O 3.24Å; Q267-G269 PolarHBondContact O-N 2.88Å |
| 270 | K | 96.9 | Very high | 93.2 | Very high | 146 Ų | 146 | 70.3 Ų | 70.3 | 64% | 0.635 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.8 | -174.6 | -63.1 | 178.9 | -176.4 | 177.1 | 0 | 112 | F266 Q267 G268 | F266-K270 WeakPolarHBondContact CA-O 3.31Å; F266-K270 VanDerWaalsContact CD2-C 3.49Å; Q267-K270 PolarHBondContact N-O 2.98Å; Q267-K270 PolarHBondContact O-N 2.82Å; G268-K270 VanDerWaalsContact C-N 3.28Å; G268-K270 PolarHBondContact O-N 2.8Å |
| 271 | W | 98.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 5% | 0.053 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.3 | 168.1 | -76.2 | 102.1 | 0 | 0 | 0 | 110.3 | E223 W264 F266 L330 I367 V369 Q373 | E223-W271 HydrophobicContact CG-CZ2 4.09Å; W264-W271 HydrophobicContact CB-CE3 3.87Å; W264-W271 HydrophobicContact CB-CZ3 4.05Å; W264-W271 HydrophobicContact CE3-CB 3.94Å; W264-W271 HydrophobicContact CZ3-CB 4.2Å; F266-W271 HydrophobicContact CB-CD2 4.22Å; F266-W271 HydrophobicContact CB-CE3 4.18Å; F266-W271 HydrophobicContact CB-CH2 4.36Å; F266-W271 HydrophobicContact CB-CZ2 4.35Å; F266-W271 HydrophobicContact CB-CZ3 4.26Å; F266-W271 AromaticContact CD2-CD1 3.64Å; F266-W271 AromaticContact CD2-CD2 3.87Å; F266-W271 HydrophobicContact CD2-CD2 3.87Å; F266-W271 AromaticContact CD2-CE2 3.81Å; F266-W271 AromaticContact CD2-CG 3.81Å; F266-W271 HydrophobicContact CD2-CG 3.81Å; F266-W271 AromaticContact CD2-NE1 3.61Å; F266-W271 AromaticContact CE2-CD1 3.93Å; F266-W271 HydrophobicContact CE2-CG 4.47Å; F266-W271 AromaticContact CE2-NE1 4Å; W271-L330 HydrophobicContact CH2-CD2 3.98Å; W271-L330 HydrophobicContact CZ3-CD2 4.06Å; W271-I367 HydrophobicContact CB-CD1 4.27Å; W271-I367 HydrophobicContact CD2-CD1 3.44Å; W271-I367 VanDerWaalsContact CD2-CD1 3.44Å; W271-I367 HydrophobicContact CE3-CD1 3.8Å; W271-I367 HydrophobicContact CG-CD1 3.67Å; W271-I367 HydrophobicContact CH2-CB 4.48Å; W271-I367 HydrophobicContact CH2-CD1 4.47Å; W271-I367 HydrophobicContact CH2-CG2 3.68Å; W271-I367 HydrophobicContact CZ2-CB 4.36Å; W271-I367 HydrophobicContact CZ2-CD1 4.2Å; W271-I367 HydrophobicContact CZ2-CG2 4.04Å; W271-I367 HydrophobicContact CZ3-CD1 4.29Å; W271-I367 HydrophobicContact CZ3-CG2 3.95Å; W271-V369 HydrophobicContact CH2-CG1 3.8Å; W271-V369 HydrophobicContact CZ2-CG1 4.04Å; W271-Q373 HydrophobicContact CH2-CB 4.24Å; W271-Q373 HydrophobicContact CH2-CG 3.62Å; W271-Q373 HydrophobicContact CZ2-CB 3.84Å; W271-Q373 HydrophobicContact CZ2-CG 3.67Å |
| 272 | V | 97.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 71 Ų | 71 | 29% | 0.285 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.1 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 111 | W264 R265 | W264-V272 CarbonylContact C-O 3.58Å; R265-V272 HydrophobicContact CG-CG2 3.61Å; R265-V272 PolarHBondContact N-O 2.77Å; R265-V272 PolarHBondContact O-N 3.26Å |
| 273 | P | 97.4 | Very high | 90.4 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 49% | 0.494 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 143.3 | 172.7 | 29.8 | -34.7 | 0 | 0 | 0 | 110.5 | N262 | N262-P273 HydrophobicContact CB-CB 4.05Å |
| 274 | C | 95.8 | Very high | 90.1 | Very high | 54 Ų | 54 | 70.3 Ų | 70.3 | 37% | 0.365 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | -4.9 | -177.4 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | H263 R265 | H263-C274 PolarHBondContact O-N 3.02Å; H263-C274 PolarHBondContact O-SG 3.2Å; R265-C274 HydrophobicContact CB-CB 4.37Å; R265-C274 HydrophobicContact CG-CB 3.82Å |
| 275 | G | 94.6 | Very high | 89.8 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | -170.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N262 H263 | N262-G275 WeakPolarHBondContact CA-O 3.29Å; H263-G275 PolarHBondContact N-O 3.31Å; H263-G275 PolarHBondContact O-N 3.36Å |
| 276 | K | 92.7 | Very high | 89.6 | Confident | 155 Ų | 155 | 68.9 Ų | 68.9 | 67% | 0.674 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 150.3 | 171.2 | -67.5 | -59.3 | -177.5 | -173.2 | 0 | 111.4 | P261 | P261-K276 WeakPolarHBondContact O-CA 3.26Å; P261-K276 WeakPolarHBondContact O-CD 3.43Å |
| 277 | A | 88.3 | Confident | 89.4 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | trans | -69.4 | 143.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L258 P261 T279 H331 | L258-A277 HydrophobicContact CD1-CB 4.39Å; P261-A277 PolarHBondContact O-N 3.13Å; A277-T279 PolarHBondContact O-N 3.17Å; A277-H331 VanDerWaalsContact CA-NE2 3.31Å; A277-H331 WeakPolarHBondContact CA-NE2 3.44Å; A277-H331 VanDerWaalsContact CB-CD2 3.42Å; A277-H331 WeakPolarHBondContact CB-CD2 3.5Å; A277-H331 WeakPolarHBondContact CB-NE2 3.45Å | ||
| 278 | D | 80.9 | Confident | 89.4 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | trans | -69.1 | 111.7 | 166.6 | 170.5 | 23.4 | 0 | 0 | 0 | 108.9 | N280 V281 K315 Q328 | D278-N280 PolarHBondContact O-N 2.94Å; D278-N280 VanDerWaalsContact OD1-CB 3.29Å; D278-N280 WeakPolarHBondContact OD1-CB 3.31Å; D278-N280 PolarHBondContact OD1-N 3.18Å; D278-V281 VanDerWaalsContact O-CG2 3.26Å; D278-V281 WeakPolarHBondContact O-CG2 3.42Å; D278-K315 IonicContact OD2-NZ 3.92Å; D278-Q328 PolarHBondContact OD2-NE2 2.89Å | ||
| 279 | T | 75.5 | Confident | 89.4 | Confident | 129 Ų | 129 | 63.8 Ų | 63.8 | 79% | 0.791 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -74.1 | -17.3 | -178.4 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | A277 V281 | A277-T279 PolarHBondContact O-N 3.17Å; T279-V281 PolarHBondContact O-N 2.92Å |
| 280 | N | 75.3 | Confident | 89.5 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | trans | -80.7 | 62.2 | 176.9 | -165.4 | -12.9 | 0 | 0 | 0 | 111.2 | D278 Q282 | D278-N280 PolarHBondContact O-N 2.94Å; D278-N280 VanDerWaalsContact OD1-CB 3.29Å; D278-N280 WeakPolarHBondContact OD1-CB 3.31Å; D278-N280 PolarHBondContact OD1-N 3.18Å; N280-Q282 PolarHBondContact O-N 2.9Å | ||
| 281 | V | 68.2 | Low | 89.5 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | trans | -77.8 | 88.1 | -176.3 | -172.3 | 0 | 0 | 0 | 0 | 111 | L258 D278 T279 R285 | L258-V281 HydrophobicContact CD1-CG2 4.01Å; D278-V281 VanDerWaalsContact O-CG2 3.26Å; D278-V281 WeakPolarHBondContact O-CG2 3.42Å; T279-V281 PolarHBondContact O-N 2.92Å; V281-R285 VanDerWaalsContact CG2-NH2 3.33Å | ||
| 282 | Q | 77 | Confident | 89.3 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | trans | -74.3 | 137.3 | 174 | -64.4 | 156.7 | -14.3 | 0 | 0 | 111.9 | N280 K315 | N280-Q282 PolarHBondContact O-N 2.9Å; Q282-K315 VanDerWaalsContact OE1-NZ 3.14Å | ||
| 283 | G | 82.9 | Confident | 89.3 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 119.8 | 170.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R285 | G283-R285 PolarHBondContact O-N 3.47Š|
| 284 | N | 88.5 | Confident | 89.3 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | trans | -69 | 128.9 | 179.6 | 177.9 | 34.8 | 0 | 0 | 0 | 111.4 | V286 M324 V325 V326 | N284-V286 PolarHBondContact ND2-O 3.18Å; N284-V286 PolarHBondContact OD1-N 3.47Å; N284-V286 PolarHBondContact OD1-O 2.78Å; N284-M324 PolarHBondContact ND2-O 2.9Å; N284-V325 CarbonylContact O-C 3.47Å; N284-V325 WeakPolarHBondContact O-CA 3.37Å; N284-V326 PolarHBondContact O-N 3.01Å | ||
| 285 | R | 91.8 | Very high | 89.3 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | trans | -104.3 | -10.3 | 174.5 | -74 | -174.3 | 177.3 | -97.4 | 19.4 | 114.5 | D255 V256 V281 G283 | D255-R285 WeakPolarHBondContact CA-O 3.42Å; V256-R285 PolarHBondContact N-O 2.8Å; V256-R285 VanDerWaalsContact N-O 3.11Å; V256-R285 PolarHBondContact O-NH1 3.32Å; V281-R285 VanDerWaalsContact CG2-NH2 3.33Å; G283-R285 PolarHBondContact O-N 3.47Å | ||
| 286 | V | 93.9 | Very high | 89.4 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 35% | 0.352 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.1 | -167.9 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | F253 V254 D255 N284 | F253-V286 HydrophobicContact CB-CG1 4.27Å; F253-V286 HydrophobicContact CD2-CG1 3.66Å; F253-V286 HydrophobicContact CE2-CG1 4.25Å; F253-V286 HydrophobicContact CG-CG1 4.16Å; V254-V286 CarbonylContact O-C 3.6Å; V254-V286 WeakPolarHBondContact O-CA 3.38Å; D255-V286 HydrophobicContact CB-CG2 4.1Å; N284-V286 PolarHBondContact ND2-O 3.18Å; N284-V286 PolarHBondContact OD1-N 3.47Å; N284-V286 PolarHBondContact OD1-O 2.78Å |
| 287 | Y | 95.5 | Very high | 89.6 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 112.4 | 171.3 | -179.8 | -83.4 | 0 | 0 | 0 | 109.5 | F253 V254 F306 K308 L309 Q323 | F253-Y287 VanDerWaalsContact CA-O 3.31Å; F253-Y287 WeakPolarHBondContact CA-O 3.4Å; F253-Y287 VanDerWaalsContact CB-O 3.3Å; F253-Y287 WeakPolarHBondContact CB-O 3.49Å; V254-Y287 PolarHBondContact N-O 2.83Å; V254-Y287 PolarHBondContact O-N 2.91Å; Y287-F306 AromaticContact CD1-CD1 3.54Å; Y287-F306 HydrophobicContact CD1-CD1 3.54Å; Y287-F306 AromaticContact CD1-CE1 3.9Å; Y287-F306 HydrophobicContact CD1-CE1 3.9Å; Y287-F306 AromaticContact CE1-CD1 3.78Å; Y287-F306 HydrophobicContact CE1-CD1 3.78Å; Y287-F306 HydrophobicContact CE1-CE1 4.28Å; Y287-K308 WeakPolarHBondContact OH-CB 3.47Å; Y287-L309 HydrophobicContact CD1-CB 4.16Å; Y287-L309 HydrophobicContact CD1-CD1 3.95Å; Y287-L309 HydrophobicContact CD1-CG 4.12Å; Y287-L309 HydrophobicContact CD2-CB 3.99Å; Y287-L309 HydrophobicContact CD2-CD1 4.37Å; Y287-L309 HydrophobicContact CD2-CG 3.76Å; Y287-L309 HydrophobicContact CE1-CB 4.21Å; Y287-L309 HydrophobicContact CE2-CB 4.05Å; Y287-L309 HydrophobicContact CE2-CG 4.34Å; Y287-L309 HydrophobicContact CG-CB 4.04Å; Y287-L309 HydrophobicContact CG-CD1 3.73Å; Y287-L309 HydrophobicContact CG-CG 3.64Å; Y287-Q323 WeakPolarHBondContact CD2-O 3.46Å; Y287-Q323 HydrophobicContact CE2-CB 4.26Å; Y287-Q323 WeakPolarHBondContact CE2-O 3.43Å |
| 288 | M | 95.4 | Very high | 90.1 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 49% | 0.488 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 134.1 | 171.9 | -162.7 | 82.8 | 85.3 | 0 | 0 | 109.8 | N251 F253 | N251-M288 HydrophobicContact CB-SD 4.38Å; F253-M288 HydrophobicContact CB-SD 4.16Å; F253-M288 HydrophobicContact CD1-SD 4.33Å |
| 289 | H | 96.7 | Very high | 90.9 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | trans | -65.1 | 131 | 168.8 | -168.7 | -88.9 | 0 | 0 | 0 | 108.8 | I252 D291 S292 W299 S305 F306 | I252-H289 WeakPolarHBondContact O-CB 3.13Å; I252-H289 PolarHBondContact O-N 3.42Å; H289-D291 VanDerWaalsContact CE1-CG 3.44Å; H289-D291 IonicContact CE1-OD1 3.94Å; H289-D291 IonicContact CE1-OD2 4Å; H289-D291 PolarHBondContact ND1-N 3.06Å; H289-D291 IonicContact ND1-OD1 3.27Å; H289-D291 PolarHBondContact O-N 2.79Å; H289-S292 VanDerWaalsContact O-CB 3.25Å; H289-S292 WeakPolarHBondContact O-CB 3.29Å; H289-S292 PolarHBondContact O-N 2.94Å; H289-S292 PolarHBondContact O-OG 3.07Å; H289-W299 HydrophobicContact CB-CH2 4.04Å; H289-W299 HydrophobicContact CB-CZ3 4.38Å; H289-W299 AromaticContact CE1-CZ3 3.93Å; H289-W299 AromaticContact CG-CH2 3.97Å; H289-W299 AromaticContact CG-CZ3 3.92Å; H289-W299 AromaticContact ND1-CH2 3.48Å; H289-W299 WeakPolarHBondContact ND1-CH2 3.42Å; H289-W299 AromaticContact ND1-CZ3 3.38Å; H289-W299 WeakPolarHBondContact ND1-CZ3 3.43Å; H289-S305 PolarHBondContact NE2-O 3.11Å; H289-F306 HydrophobicContact CB-CE1 3.94Å; H289-F306 HydrophobicContact CB-CZ 3.94Å | ||
| 290 | P | 95.6 | Very high | 92 | Very high | 72 Ų | 72 | 47.6 Ų | 47.6 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.6 | -170 | 23.7 | -35.4 | 0 | 0 | 0 | 114.5 | S292 | P290-S292 VanDerWaalsContact C-N 3.26Å; P290-S292 PolarHBondContact O-N 2.83Å |
| 291 | D | 96.8 | Very high | 93.1 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.7 | 178.7 | -52.2 | 11.5 | 0 | 0 | 0 | 112.8 | H289 P293 N294 H298 W299 | H289-D291 VanDerWaalsContact CE1-CG 3.44Å; H289-D291 IonicContact CE1-OD1 3.94Å; H289-D291 IonicContact CE1-OD2 4Å; H289-D291 PolarHBondContact ND1-N 3.06Å; H289-D291 IonicContact ND1-OD1 3.27Å; H289-D291 PolarHBondContact O-N 2.79Å; D291-P293 CarbonylContact O-C 3.58Å; D291-N294 WeakPolarHBondContact O-CB 3.47Å; D291-N294 PolarHBondContact O-ND2 3.43Å; D291-H298 IonicContact OD2-CE1 3.73Å; D291-H298 IonicContact OD2-NE2 3.52Å; D291-H298 PolarHBondContact OD2-NE2 3.27Å; D291-W299 HydrophobicContact CB-CH2 3.91Å; D291-W299 HydrophobicContact CB-CZ3 4.2Å |
| 292 | S | 95.5 | Very high | 94.4 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | trans | -85 | 144 | -179.1 | -51.2 | 0 | 0 | 0 | 0 | 112.8 | I252 H289 P290 W299 | I252-S292 PolarHBondContact N-OG 2.92Å; I252-S292 PolarHBondContact O-OG 2.92Å; H289-S292 VanDerWaalsContact O-CB 3.25Å; H289-S292 WeakPolarHBondContact O-CB 3.29Å; H289-S292 PolarHBondContact O-N 2.94Å; H289-S292 PolarHBondContact O-OG 3.07Å; P290-S292 VanDerWaalsContact C-N 3.26Å; P290-S292 PolarHBondContact O-N 2.83Å; S292-W299 WeakPolarHBondContact OG-CH2 3.28Å | ||
| 293 | P | 96 | Very high | 95.4 | Very high | 73 Ų | 73 | 54.5 Ų | 54.5 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | S | Bend | cis | -74.4 | 152.5 | -8.1 | 31.2 | -35.5 | 0 | 0 | 0 | 111.9 | Y250 N251 D291 V342 | Y250-P293 WeakPolarHBondContact O-CA 3.32Å; N251-P293 WeakPolarHBondContact OD1-CA 3.3Å; N251-P293 WeakPolarHBondContact OD1-CB 3.45Å; D291-P293 CarbonylContact O-C 3.58Å; P293-V342 HydrophobicContact CB-CG2 4.21Å |
| 294 | N | 97.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 53 Ų | 53 | 23% | 0.225 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 159 | 173.3 | -131.4 | -65 | 0 | 0 | 0 | 113.2 | H249 Y250 D291 H298 W299 | H249-N294 CarbonylContact C-O 3.58Å; H249-N294 WeakPolarHBondContact CA-O 3.22Å; Y250-N294 PolarHBondContact N-O 2.95Å; Y250-N294 PolarHBondContact O-N 2.8Å; D291-N294 WeakPolarHBondContact O-CB 3.47Å; D291-N294 PolarHBondContact O-ND2 3.43Å; N294-H298 HydrophobicContact CB-CB 3.93Å; N294-H298 VanDerWaalsContact CG-CG 3.43Å; N294-H298 WeakPolarHBondContact OD1-CB 3.38Å; N294-W299 HydrophobicContact CB-CD2 4.43Å; N294-W299 HydrophobicContact CB-CZ2 3.84Å; N294-W299 PolarHBondContact O-NE1 3.31Å |
| 295 | T | 96.6 | Very high | 96.6 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 147.5 | 174 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | A248 A297 H298 W299 | A248-T295 CarbonylContact O-C 3.58Å; A248-T295 WeakPolarHBondContact O-CA 3.4Å; T295-A297 PolarHBondContact O-N 3.27Å; T295-H298 WeakPolarHBondContact O-CA 3.49Å; T295-H298 VanDerWaalsContact O-CB 3.31Å; T295-H298 WeakPolarHBondContact O-CB 3.13Å; T295-H298 PolarHBondContact O-N 2.89Å; T295-H298 PolarHBondContact OG1-N 2.82Å; T295-W299 PolarHBondContact O-N 2.8Å |
| 296 | G | 96.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -31.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D245 A248 H298 W299 M300 | D245-G296 VanDerWaalsContact O-CA 3.28Å; D245-G296 WeakPolarHBondContact O-CA 3.46Å; A248-G296 PolarHBondContact O-N 2.88Å; G296-H298 PolarHBondContact O-N 3.14Å; G296-W299 PolarHBondContact O-N 2.68Å; G296-M300 WeakPolarHBondContact O-CB 3.31Å; G296-M300 WeakPolarHBondContact O-CG 3.46Å; G296-M300 PolarHBondContact O-N 2.9Å |
| 297 | A | 97.8 | Very high | 97 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -26.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P246 T295 R301 | P246-A297 HydrophobicContact CB-CB 4.15Å; P246-A297 WeakPolarHBondContact O-CB 3.41Å; P246-A297 PolarHBondContact O-N 3.46Å; T295-A297 PolarHBondContact O-N 3.27Å; A297-R301 VanDerWaalsContact O-CG 3.24Å; A297-R301 WeakPolarHBondContact O-CG 3.28Å; A297-R301 PolarHBondContact O-NH1 3.18Å; A297-R301 VanDerWaalsContact O-NH1 3.13Å |
| 298 | H | 98.3 | Very high | 97 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.8 | -48.4 | 171.6 | -178 | 92.8 | 0 | 0 | 0 | 111.8 | D291 N294 T295 G296 M300 R301 | D291-H298 IonicContact OD2-CE1 3.73Å; D291-H298 IonicContact OD2-NE2 3.52Å; D291-H298 PolarHBondContact OD2-NE2 3.27Å; N294-H298 HydrophobicContact CB-CB 3.93Å; N294-H298 VanDerWaalsContact CG-CG 3.43Å; N294-H298 WeakPolarHBondContact OD1-CB 3.38Å; T295-H298 WeakPolarHBondContact O-CA 3.49Å; T295-H298 VanDerWaalsContact O-CB 3.31Å; T295-H298 WeakPolarHBondContact O-CB 3.13Å; T295-H298 PolarHBondContact O-N 2.89Å; T295-H298 PolarHBondContact OG1-N 2.82Å; G296-H298 PolarHBondContact O-N 3.14Å; H298-M300 VanDerWaalsContact C-N 3.29Å; H298-M300 PolarHBondContact O-N 3.41Å; H298-R301 VanDerWaalsContact CA-CZ 3.45Å; H298-R301 VanDerWaalsContact CA-NH2 3.33Å; H298-R301 VanDerWaalsContact CB-NH2 3.33Å; H298-R301 PolarHBondContact ND1-NH2 3.11Å; H298-R301 PolarHBondContact O-N 2.99Å |
| 299 | W | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.2 | -28.3 | -177.6 | -59.9 | 122.2 | 0 | 0 | 0 | 113.7 | L244 Y250 I252 H289 D291 S292 N294 T295 G296 I304 | L244-W299 HydrophobicContact CD1-CB 3.76Å; L244-W299 HydrophobicContact CD1-CG 4.41Å; Y250-W299 PolarHBondContact O-NE1 3.21Å; I252-W299 HydrophobicContact CB-CH2 4.17Å; I252-W299 HydrophobicContact CB-CZ2 4.13Å; I252-W299 HydrophobicContact CB-CZ3 4.45Å; I252-W299 HydrophobicContact CD1-CB 3.91Å; I252-W299 HydrophobicContact CD1-CD2 3.43Å; I252-W299 VanDerWaalsContact CD1-CD2 3.43Å; I252-W299 HydrophobicContact CD1-CE3 3.88Å; I252-W299 HydrophobicContact CD1-CG 3.46Å; I252-W299 VanDerWaalsContact CD1-CG 3.46Å; I252-W299 HydrophobicContact CD1-CZ2 4.37Å; I252-W299 HydrophobicContact CD1-CZ3 4.5Å; I252-W299 HydrophobicContact CG1-CD2 3.99Å; I252-W299 HydrophobicContact CG1-CE3 4.46Å; I252-W299 HydrophobicContact CG1-CG 4.32Å; I252-W299 HydrophobicContact CG1-CH2 4.46Å; I252-W299 HydrophobicContact CG1-CZ2 4Å; H289-W299 HydrophobicContact CB-CH2 4.04Å; H289-W299 HydrophobicContact CB-CZ3 4.38Å; H289-W299 AromaticContact CE1-CZ3 3.93Å; H289-W299 AromaticContact CG-CH2 3.97Å; H289-W299 AromaticContact CG-CZ3 3.92Å; H289-W299 AromaticContact ND1-CH2 3.48Å; H289-W299 WeakPolarHBondContact ND1-CH2 3.42Å; H289-W299 AromaticContact ND1-CZ3 3.38Å; H289-W299 WeakPolarHBondContact ND1-CZ3 3.43Å; D291-W299 HydrophobicContact CB-CH2 3.91Å; D291-W299 HydrophobicContact CB-CZ3 4.2Å; S292-W299 WeakPolarHBondContact OG-CH2 3.28Å; N294-W299 HydrophobicContact CB-CD2 4.43Å; N294-W299 HydrophobicContact CB-CZ2 3.84Å; N294-W299 PolarHBondContact O-NE1 3.31Å; T295-W299 PolarHBondContact O-N 2.8Å; G296-W299 PolarHBondContact O-N 2.68Å; W299-I304 HydrophobicContact CB-CD1 4.03Å; W299-I304 HydrophobicContact CD2-CD1 4.3Å; W299-I304 HydrophobicContact CE3-CD1 3.64Å; W299-I304 HydrophobicContact CE3-CG1 3.97Å; W299-I304 HydrophobicContact CE3-CG2 4.23Å; W299-I304 HydrophobicContact CZ3-CD1 4.43Å; W299-I304 HydrophobicContact CZ3-CG2 4Å |
| 300 | M | 97.8 | Very high | 97 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 31% | 0.31 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.3 | 176 | -61.8 | -171.2 | -69.7 | 0 | 0 | 114.2 | I241 G243 L244 P246 G296 H298 | I241-M300 WeakPolarHBondContact O-CG 3.28Å; G243-M300 PolarHBondContact N-SD 2.95Å; G243-M300 VanDerWaalsContact N-SD 3.42Å; L244-M300 HydrophobicContact CB-CE 4.02Å; L244-M300 HydrophobicContact CB-CG 4.35Å; L244-M300 HydrophobicContact CB-SD 3.95Å; L244-M300 HydrophobicContact CD1-CG 4.25Å; L244-M300 HydrophobicContact CG-CG 4.32Å; L244-M300 HydrophobicContact CG-SD 4.37Å; L244-M300 PolarHBondContact N-SD 3.21Å; L244-M300 VanDerWaalsContact O-CE 3.24Å; L244-M300 WeakPolarHBondContact O-CE 3.46Å; P246-M300 HydrophobicContact CG-CE 4.21Å; G296-M300 WeakPolarHBondContact O-CB 3.31Å; G296-M300 WeakPolarHBondContact O-CG 3.46Å; G296-M300 PolarHBondContact O-N 2.9Å; H298-M300 VanDerWaalsContact C-N 3.29Å; H298-M300 PolarHBondContact O-N 3.41Å |
| 301 | R | 97.6 | Very high | 97 | Very high | 161 Ų | 161 | 48.7 Ų | 48.7 | 61% | 0.608 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -75.2 | -29.6 | -177.8 | -99.5 | -174.8 | -49 | -104.3 | 14.6 | 114.2 | A297 H298 | A297-R301 VanDerWaalsContact O-CG 3.24Å; A297-R301 WeakPolarHBondContact O-CG 3.28Å; A297-R301 PolarHBondContact O-NH1 3.18Å; A297-R301 VanDerWaalsContact O-NH1 3.13Å; H298-R301 VanDerWaalsContact CA-CZ 3.45Å; H298-R301 VanDerWaalsContact CA-NH2 3.33Å; H298-R301 VanDerWaalsContact CB-NH2 3.33Å; H298-R301 PolarHBondContact ND1-NH2 3.11Å; H298-R301 PolarHBondContact O-N 2.99Å |
| 302 | Q | 96.7 | Very high | 97 | Very high | 137 Ų | 137 | 45.7 Ų | 45.7 | 64% | 0.64 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -162.3 | 174 | -172 | 58.8 | 167 | 70 | 0 | 0 | 112.4 | I304 | Q302-I304 PolarHBondContact O-N 2.93Š|
| 303 | E | 97.9 | Very high | 96.9 | Very high | 71 Ų | 71 | 48 Ų | 48 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | trans | -62.4 | 129.2 | 174.2 | -173.2 | 176.9 | 124.3 | 0 | 0 | 111.9 | C209 S238 N240 | C209-E303 HydrophobicContact CB-CG 4.24Å; C209-E303 WeakPolarHBondContact CB-OE2 3.29Å; C209-E303 PolarHBondContact SG-OE2 3.49Å; S238-E303 WeakPolarHBondContact CB-OE1 3.45Å; S238-E303 PolarHBondContact OG-OE1 2.82Å; N240-E303 VanDerWaalsContact OD1-CA 3.26Å; N240-E303 WeakPolarHBondContact OD1-CA 3.48Å; N240-E303 WeakPolarHBondContact OD1-CB 3.26Å; N240-E303 PolarHBondContact OD1-N 2.96Å | ||
| 304 | I | 98.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.7 | 178.2 | -53.3 | 174.1 | 0 | 0 | 0 | 108.3 | S238 F239 I241 I252 W299 Q302 F306 | S238-I304 CarbonylContact C-O 3.53Å; S238-I304 VanDerWaalsContact CA-O 3.31Å; S238-I304 WeakPolarHBondContact CA-O 3.42Å; F239-I304 PolarHBondContact N-O 3.44Å; F239-I304 PolarHBondContact O-N 3.24Å; I241-I304 HydrophobicContact CB-CD1 4.39Å; I241-I304 HydrophobicContact CD1-CD1 3.48Å; I241-I304 VanDerWaalsContact CD1-CD1 3.48Å; I241-I304 HydrophobicContact CG1-CD1 3.76Å; I252-I304 HydrophobicContact CD1-CD1 3.95Å; W299-I304 HydrophobicContact CB-CD1 4.03Å; W299-I304 HydrophobicContact CD2-CD1 4.3Å; W299-I304 HydrophobicContact CE3-CD1 3.64Å; W299-I304 HydrophobicContact CE3-CG1 3.97Å; W299-I304 HydrophobicContact CE3-CG2 4.23Å; W299-I304 HydrophobicContact CZ3-CD1 4.43Å; W299-I304 HydrophobicContact CZ3-CG2 4Å; Q302-I304 PolarHBondContact O-N 2.93Å; I304-F306 HydrophobicContact CG2-CE2 4.01Å |
| 305 | S | 97.8 | Very high | 95.8 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.5 | -168.5 | -165.6 | 0 | 0 | 0 | 0 | 114.5 | F236 S238 H289 G307 | F236-S305 WeakPolarHBondContact CD2-OG 3.17Å; F236-S305 VanDerWaalsContact CE2-OG 3.25Å; F236-S305 WeakPolarHBondContact CE2-OG 3.27Å; S238-S305 WeakPolarHBondContact OG-CA 3.11Å; S238-S305 WeakPolarHBondContact OG-CB 3.48Å; S238-S305 PolarHBondContact OG-OG 3.49Å; H289-S305 PolarHBondContact NE2-O 3.11Å; S305-G307 PolarHBondContact O-N 3.19Å; S305-G307 PolarHBondContact OG-N 3.28Å |
| 306 | F | 97.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | trans | -84.5 | 21.1 | 174.2 | -67 | -95 | 0 | 0 | 0 | 112.7 | L237 F239 I252 V254 Y287 H289 I304 K308 L309 L337 | L237-F306 HydrophobicContact CB-CB 4.13Å; L237-F306 WeakPolarHBondContact O-CB 3.48Å; L237-F306 PolarHBondContact O-N 3.13Å; F239-F306 HydrophobicContact CD2-CD2 4.02Å; F239-F306 AromaticContact CD2-CE2 3.93Å; F239-F306 HydrophobicContact CD2-CE2 3.93Å; F239-F306 AromaticContact CE2-CD2 3.84Å; F239-F306 HydrophobicContact CE2-CD2 3.84Å; F239-F306 AromaticContact CE2-CE2 3.93Å; F239-F306 HydrophobicContact CE2-CE2 3.93Å; I252-F306 HydrophobicContact CG2-CZ 4.23Å; V254-F306 HydrophobicContact CB-CD1 4.29Å; V254-F306 HydrophobicContact CB-CE1 4.18Å; V254-F306 HydrophobicContact CG2-CD1 3.82Å; V254-F306 HydrophobicContact CG2-CD2 4.13Å; V254-F306 HydrophobicContact CG2-CE1 3.66Å; V254-F306 HydrophobicContact CG2-CE2 3.98Å; V254-F306 HydrophobicContact CG2-CG 4.06Å; V254-F306 HydrophobicContact CG2-CZ 3.74Å; Y287-F306 AromaticContact CD1-CD1 3.54Å; Y287-F306 HydrophobicContact CD1-CD1 3.54Å; Y287-F306 AromaticContact CD1-CE1 3.9Å; Y287-F306 HydrophobicContact CD1-CE1 3.9Å; Y287-F306 AromaticContact CE1-CD1 3.78Å; Y287-F306 HydrophobicContact CE1-CD1 3.78Å; Y287-F306 HydrophobicContact CE1-CE1 4.28Å; H289-F306 HydrophobicContact CB-CE1 3.94Å; H289-F306 HydrophobicContact CB-CZ 3.94Å; I304-F306 HydrophobicContact CG2-CE2 4.01Å; F306-K308 PolarHBondContact O-N 3.45Å; F306-L309 HydrophobicContact CB-CB 4.39Å; F306-L309 HydrophobicContact CB-CD1 4.39Å; F306-L309 HydrophobicContact CD1-CD1 4.32Å; F306-L309 WeakPolarHBondContact O-CB 3.43Å; F306-L309 PolarHBondContact O-N 2.62Å; F306-L337 HydrophobicContact CE2-CD1 3.61Å; F306-L337 HydrophobicContact CZ-CD1 3.69Å | ||
| 307 | G | 96.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -9.3 | -180 | 0 | 0 | 0 | 0 | 0 | 116.1 | R232 S305 | R232-G307 WeakPolarHBondContact CD-O 3.31Å; R232-G307 PolarHBondContact NE-O 3Å; S305-G307 PolarHBondContact O-N 3.19Å; S305-G307 PolarHBondContact OG-N 3.28Å |
| 308 | K | 95.3 | Very high | 91.6 | Very high | 126 Ų | 126 | 53.8 Ų | 53.8 | 55% | 0.548 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -19.6 | 172.1 | -69.7 | 173.7 | -175.4 | 167.8 | 0 | 113.7 | Y287 F306 K310 | Y287-K308 WeakPolarHBondContact OH-CB 3.47Å; F306-K308 PolarHBondContact O-N 3.45Å; K308-K310 PolarHBondContact O-N 3.01Å |
| 309 | L | 95.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | -59.5 | 129.6 | -176.7 | -170.8 | 166 | 0 | 0 | 0 | 111.4 | R232 M233 V254 Y287 F306 L311 V325 | R232-L309 WeakPolarHBondContact CA-O 3.44Å; M233-L309 HydrophobicContact CG-CD2 4.33Å; M233-L309 HydrophobicContact SD-CD2 3.94Å; V254-L309 HydrophobicContact CB-CD1 4.37Å; V254-L309 HydrophobicContact CG1-CD1 4.31Å; Y287-L309 HydrophobicContact CD1-CB 4.16Å; Y287-L309 HydrophobicContact CD1-CD1 3.95Å; Y287-L309 HydrophobicContact CD1-CG 4.12Å; Y287-L309 HydrophobicContact CD2-CB 3.99Å; Y287-L309 HydrophobicContact CD2-CD1 4.37Å; Y287-L309 HydrophobicContact CD2-CG 3.76Å; Y287-L309 HydrophobicContact CE1-CB 4.21Å; Y287-L309 HydrophobicContact CE2-CB 4.05Å; Y287-L309 HydrophobicContact CE2-CG 4.34Å; Y287-L309 HydrophobicContact CG-CB 4.04Å; Y287-L309 HydrophobicContact CG-CD1 3.73Å; Y287-L309 HydrophobicContact CG-CG 3.64Å; F306-L309 HydrophobicContact CB-CB 4.39Å; F306-L309 HydrophobicContact CB-CD1 4.39Å; F306-L309 HydrophobicContact CD1-CD1 4.32Å; F306-L309 WeakPolarHBondContact O-CB 3.43Å; F306-L309 PolarHBondContact O-N 2.62Å; L309-L311 HydrophobicContact CD2-CD2 3.57Å; L309-L311 HydrophobicContact CD2-CG 4.38Å; L309-V325 HydrophobicContact CD2-CG2 4.04Å; L309-V325 HydrophobicContact CG-CG2 4.36Å | ||
| 310 | K | 96.1 | Very high | 87.9 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 32% | 0.317 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.5 | 178.3 | -75.1 | 178.8 | 171.8 | -169.1 | 0 | 112.4 | Q229 R231 K308 Q323 M324 V325 | Q229-K310 PolarHBondContact O-NZ 3Å; R231-K310 CarbonylContact O-C 3.59Å; R231-K310 WeakPolarHBondContact O-CA 3.42Å; K308-K310 PolarHBondContact O-N 3.01Å; K310-Q323 PolarHBondContact N-O 3.27Å; K310-M324 HydrophobicContact CB-CG 4Å; K310-M324 HydrophobicContact CD-CG 4.19Å; K310-M324 HydrophobicContact CD-SD 4.47Å; K310-M324 WeakPolarHBondContact O-CA 3.21Å; K310-V325 PolarHBondContact O-N 3.47Å |
| 311 | L | 96.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.9 | 171.1 | -52.7 | -176.1 | 0 | 0 | 0 | 111 | M224 I226 G230 R231 M233 L309 V325 L327 F366 | M224-L311 HydrophobicContact CB-CD1 3.79Å; M224-L311 HydrophobicContact CG-CD1 4.29Å; I226-L311 HydrophobicContact CG2-CB 3.77Å; I226-L311 HydrophobicContact CG2-CD1 4.48Å; G230-L311 CarbonylContact C-O 3.47Å; G230-L311 VanDerWaalsContact CA-O 3.29Å; G230-L311 WeakPolarHBondContact CA-O 3.46Å; R231-L311 PolarHBondContact N-O 3.3Å; R231-L311 PolarHBondContact O-N 3.13Å; M233-L311 HydrophobicContact CE-CD1 4.49Å; M233-L311 HydrophobicContact CG-CD1 3.76Å; M233-L311 HydrophobicContact CG-CD2 4.26Å; M233-L311 HydrophobicContact CG-CG 3.84Å; M233-L311 HydrophobicContact SD-CD1 4.31Å; M233-L311 HydrophobicContact SD-CD2 4.24Å; M233-L311 HydrophobicContact SD-CG 4.42Å; L309-L311 HydrophobicContact CD2-CD2 3.57Å; L309-L311 HydrophobicContact CD2-CG 4.38Å; L311-V325 WeakPolarHBondContact CA-O 3.19Å; L311-V325 HydrophobicContact CD2-CB 3.92Å; L311-V325 HydrophobicContact CD2-CG1 4.23Å; L311-L327 HydrophobicContact CB-CD1 4.26Å; L311-L327 HydrophobicContact CD1-CD1 3.92Å; L311-L327 HydrophobicContact CD2-CD1 3.95Å; L311-L327 HydrophobicContact CG-CD1 4.27Å; L311-F366 HydrophobicContact CD1-CE2 3.87Å; L311-F366 HydrophobicContact CD1-CZ 3.76Å |
| 312 | T | 95.5 | Very high | 85 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 155.9 | -179 | -170.8 | 0 | 0 | 0 | 0 | 113.1 | T227 N314 A317 M324 V325 V326 L327 | T227-T312 WeakPolarHBondContact O-CA 3.5Å; T227-T312 VanDerWaalsContact O-CB 3.28Å; T227-T312 WeakPolarHBondContact O-CB 3.37Å; T227-T312 PolarHBondContact O-OG1 3.12Å; T312-N314 PolarHBondContact OG1-N 3.36Å; T312-N314 VanDerWaalsContact OG1-N 3.11Å; T312-A317 HydrophobicContact CG2-CB 4.16Å; T312-M324 HydrophobicContact CG2-CB 4.39Å; T312-M324 HydrophobicContact CG2-CE 3.77Å; T312-V325 PolarHBondContact N-O 2.86Å; T312-V326 HydrophobicContact CG2-CB 4.34Å; T312-V326 HydrophobicContact CG2-CG2 3.85Å; T312-V326 WeakPolarHBondContact O-CA 3.36Å; T312-L327 PolarHBondContact O-N 2.87Å |
| 313 | N | 93.9 | Very high | 84.2 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | trans | -97 | -0.7 | 167.5 | 63.4 | -20 | 0 | 0 | 0 | 113.7 | I226 T227 K228 K315 L327 | I226-N313 HydrophobicContact CD1-CB 3.73Å; I226-N313 HydrophobicContact CG1-CB 4.04Å; T227-N313 VanDerWaalsContact C-OD1 3.26Å; K228-N313 PolarHBondContact N-OD1 3.04Å; N313-K315 PolarHBondContact O-N 3.05Å; N313-L327 WeakPolarHBondContact CA-O 3.48Å | ||
| 314 | N | 90.2 | Very high | 83.9 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | trans | -81.3 | 99.8 | -177 | 179.4 | 12.2 | 0 | 0 | 0 | 111.2 | K228 T312 G316 A317 | K228-N314 HydrophobicContact CG-CB 4.48Å; T312-N314 PolarHBondContact OG1-N 3.36Å; T312-N314 VanDerWaalsContact OG1-N 3.11Å; N314-G316 PolarHBondContact O-N 3.11Å; N314-G316 VanDerWaalsContact O-N 3.11Å; N314-G316 PolarHBondContact OD1-N 3.13Å; N314-G316 VanDerWaalsContact OD1-N 3.13Å; N314-A317 HydrophobicContact CB-CB 4.02Å; N314-A317 VanDerWaalsContact O-CB 3.27Å; N314-A317 WeakPolarHBondContact O-CB 3.49Å; N314-A317 PolarHBondContact O-N 3.26Å | ||
| 315 | K | 81.1 | Confident | 83.8 | Confident | 97 Ų | 97 | 53.2 Ų | 53.2 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -29.6 | 177 | -70.9 | -169.6 | 170.7 | -161.9 | 0 | 113.9 | D278 Q282 N313 | D278-K315 IonicContact OD2-NZ 3.92Å; Q282-K315 VanDerWaalsContact OE1-NZ 3.14Å; N313-K315 PolarHBondContact O-N 3.05Å |
| 316 | G | 73.3 | Confident | 83.6 | Confident | 48 Ų | 48 | 51.3 Ų | 51.3 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N314 S318 | N314-G316 PolarHBondContact O-N 3.11Å; N314-G316 VanDerWaalsContact O-N 3.11Å; N314-G316 PolarHBondContact OD1-N 3.13Å; N314-G316 VanDerWaalsContact OD1-N 3.13Å; G316-S318 PolarHBondContact O-N 3.21Å |
| 317 | A | 66.4 | Low | 83.5 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -75.1 | 15.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T312 N314 N319 N320 M324 | T312-A317 HydrophobicContact CG2-CB 4.16Å; N314-A317 HydrophobicContact CB-CB 4.02Å; N314-A317 VanDerWaalsContact O-CB 3.27Å; N314-A317 WeakPolarHBondContact O-CB 3.49Å; N314-A317 PolarHBondContact O-N 3.26Å; A317-N319 PolarHBondContact O-N 3.07Å; A317-N319 VanDerWaalsContact O-N 3.12Å; A317-N320 PolarHBondContact O-N 2.89Å; A317-N320 PolarHBondContact O-ND2 3.23Å; A317-M324 HydrophobicContact CB-CE 4.28Å |
| 318 | S | 61.7 | Low | 83.4 | Confident | 99 Ų | 99 | 52 Ų | 52 | 69% | 0.692 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -60.5 | -21.1 | -176.7 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | G316 N320 | G316-S318 PolarHBondContact O-N 3.21Å; S318-N320 PolarHBondContact O-N 2.94Å |
| 319 | N | 58 | Low | 83.5 | Confident | 121 Ų | 121 | 47.6 Ų | 47.6 | 65% | 0.647 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -73.7 | -0.1 | 177.7 | 66.1 | -24.1 | 0 | 0 | 0 | 115.4 | A317 N321 | A317-N319 PolarHBondContact O-N 3.07Å; A317-N319 VanDerWaalsContact O-N 3.12Å; N319-N321 PolarHBondContact O-N 2.83Å |
| 320 | N | 61.5 | Low | 83.6 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -97.7 | 55.4 | -174.1 | -62.3 | -85.9 | 0 | 0 | 0 | 113.6 | A317 S318 G322 Q323 M324 | A317-N320 PolarHBondContact O-N 2.89Å; A317-N320 PolarHBondContact O-ND2 3.23Å; S318-N320 PolarHBondContact O-N 2.94Å; N320-G322 PolarHBondContact O-N 3.43Å; N320-Q323 PolarHBondContact O-N 2.89Å; N320-M324 HydrophobicContact CB-CG 4.18Å; N320-M324 HydrophobicContact CB-SD 3.58Å; N320-M324 VanDerWaalsContact CB-SD 3.58Å |
| 321 | N | 63.8 | Low | 83.6 | Confident | 123 Ų | 123 | 46.6 Ų | 46.6 | 66% | 0.658 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 34.8 | 167 | -59.8 | 8 | 0 | 0 | 0 | 115.9 | N319 Q323 | N319-N321 PolarHBondContact O-N 2.83Å; N321-Q323 HydrophobicContact CB-CG 4.44Å; N321-Q323 PolarHBondContact O-N 2.88Å |
| 322 | G | 70.1 | Confident | 83.7 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 1.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N320 M324 | N320-G322 PolarHBondContact O-N 3.43Å; G322-M324 VanDerWaalsContact C-N 3.28Å; G322-M324 PolarHBondContact O-N 2.78Å |
| 323 | Q | 81.4 | Confident | 83.8 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | trans | -80.6 | -5.2 | -172 | -60.8 | -171.3 | 6.5 | 0 | 0 | 114.5 | Y287 K310 N320 N321 | Y287-Q323 WeakPolarHBondContact CD2-O 3.46Å; Y287-Q323 HydrophobicContact CE2-CB 4.26Å; Y287-Q323 WeakPolarHBondContact CE2-O 3.43Å; K310-Q323 PolarHBondContact N-O 3.27Å; N320-Q323 PolarHBondContact O-N 2.89Å; N321-Q323 HydrophobicContact CB-CG 4.44Å; N321-Q323 PolarHBondContact O-N 2.88Å | ||
| 324 | M | 91.6 | Very high | 84 | Confident | 13 Ų | 13 | 46 Ų | 46 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.4 | -170.2 | -66.4 | 179.5 | 57.8 | 0 | 0 | 111 | N284 K310 T312 A317 N320 G322 | N284-M324 PolarHBondContact ND2-O 2.9Å; K310-M324 HydrophobicContact CB-CG 4Å; K310-M324 HydrophobicContact CD-CG 4.19Å; K310-M324 HydrophobicContact CD-SD 4.47Å; K310-M324 WeakPolarHBondContact O-CA 3.21Å; T312-M324 HydrophobicContact CG2-CB 4.39Å; T312-M324 HydrophobicContact CG2-CE 3.77Å; A317-M324 HydrophobicContact CB-CE 4.28Å; N320-M324 HydrophobicContact CB-CG 4.18Å; N320-M324 HydrophobicContact CB-SD 3.58Å; N320-M324 VanDerWaalsContact CB-SD 3.58Å; G322-M324 VanDerWaalsContact C-N 3.28Å; G322-M324 PolarHBondContact O-N 2.78Å |
| 325 | V | 94.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.6 | 173.2 | 177 | 0 | 0 | 0 | 0 | 108.7 | V256 N284 L309 K310 L311 T312 L327 | V256-V325 HydrophobicContact CB-CG1 3.93Å; V256-V325 HydrophobicContact CG2-CG1 3.95Å; N284-V325 CarbonylContact O-C 3.47Å; N284-V325 WeakPolarHBondContact O-CA 3.37Å; L309-V325 HydrophobicContact CD2-CG2 4.04Å; L309-V325 HydrophobicContact CG-CG2 4.36Å; K310-V325 PolarHBondContact O-N 3.47Å; L311-V325 WeakPolarHBondContact CA-O 3.19Å; L311-V325 HydrophobicContact CD2-CB 3.92Å; L311-V325 HydrophobicContact CD2-CG1 4.23Å; T312-V325 PolarHBondContact N-O 2.86Å; V325-L327 HydrophobicContact CG1-CD2 3.82Å; V325-L327 HydrophobicContact CG1-CG 4.16Å |
| 326 | V | 94.5 | Very high | 85.2 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.5 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | N284 T312 | N284-V326 PolarHBondContact O-N 3.01Å; T312-V326 HydrophobicContact CG2-CB 4.34Å; T312-V326 HydrophobicContact CG2-CG2 3.85Å; T312-V326 WeakPolarHBondContact O-CA 3.36Å |
| 327 | L | 95.4 | Very high | 86.4 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | trans | -130.2 | 147 | -178.7 | -56 | 179.6 | 0 | 0 | 0 | 110.8 | I226 V256 L311 T312 N313 V325 Y333 F366 A368 | I226-L327 HydrophobicContact CG2-CD1 4.38Å; V256-L327 HydrophobicContact CB-CD2 4.25Å; V256-L327 HydrophobicContact CG1-CD1 4.47Å; V256-L327 HydrophobicContact CG1-CD2 3.74Å; L311-L327 HydrophobicContact CB-CD1 4.26Å; L311-L327 HydrophobicContact CD1-CD1 3.92Å; L311-L327 HydrophobicContact CD2-CD1 3.95Å; L311-L327 HydrophobicContact CG-CD1 4.27Å; T312-L327 PolarHBondContact O-N 2.87Å; N313-L327 WeakPolarHBondContact CA-O 3.48Å; V325-L327 HydrophobicContact CG1-CD2 3.82Å; V325-L327 HydrophobicContact CG1-CG 4.16Å; L327-Y333 HydrophobicContact CB-CE1 4.45Å; L327-Y333 HydrophobicContact CB-CE2 4.07Å; L327-Y333 HydrophobicContact CD1-CD2 4.25Å; L327-Y333 HydrophobicContact CD1-CE2 4.34Å; L327-Y333 HydrophobicContact CD2-CD1 3.74Å; L327-Y333 HydrophobicContact CD2-CD2 4.46Å; L327-Y333 HydrophobicContact CD2-CE1 3.59Å; L327-Y333 HydrophobicContact CD2-CE2 4.34Å; L327-Y333 HydrophobicContact CD2-CG 4.19Å; L327-Y333 HydrophobicContact CG-CE2 4.49Å; L327-F366 HydrophobicContact CD1-CE2 3.77Å; L327-F366 HydrophobicContact CD1-CZ 3.71Å; L327-A368 HydrophobicContact CB-CB 4.33Å; L327-A368 HydrophobicContact CD1-CB 4.18Å | ||
| 328 | Q | 95.2 | Very high | 87.9 | Confident | 36 Ų | 36 | 40.1 Ų | 40.1 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | trans | -80.3 | 138.8 | 164.6 | -53.4 | -162.7 | 5.1 | 0 | 0 | 110.1 | D278 Y333 | D278-Q328 PolarHBondContact OD2-NE2 2.89Å; Q328-Y333 WeakPolarHBondContact CA-OH 3.07Å; Q328-Y333 PolarHBondContact N-OH 2.98Å; Q328-Y333 WeakPolarHBondContact O-CE2 3.44Å; Q328-Y333 PolarHBondContact O-OH 3.48Å | ||
| 329 | S | 96.6 | Very high | 89.5 | Confident | 33 Ų | 33 | 35.5 Ų | 35.5 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 158.1 | 174.2 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | H331 A368 | S329-H331 PolarHBondContact O-N 3.49Å; S329-H331 PolarHBondContact O-ND1 3.44Å; S329-A368 CarbonylContact C-O 3.6Å |
| 330 | L | 97.3 | Very high | 91.3 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 27.6 | 178.4 | -56 | -178.1 | 0 | 0 | 0 | 114.7 | H263 W264 W271 A368 V369 | H263-L330 PolarHBondContact CD2-O 3.02Å; W264-L330 WeakPolarHBondContact CB-O 3.42Å; W264-L330 PolarHBondContact N-O 2.95Å; W264-L330 WeakPolarHBondContact O-CB 3.41Å; W271-L330 HydrophobicContact CH2-CD2 3.98Å; W271-L330 HydrophobicContact CZ3-CD2 4.06Å; L330-A368 PolarHBondContact N-O 2.92Å; L330-V369 HydrophobicContact CD2-CG1 4.46Å |
| 331 | H | 97 | Very high | 92.8 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.4 | 175.8 | -72.1 | 80.6 | 0 | 0 | 0 | 110.3 | L258 H263 A277 S329 Y333 I367 A368 | L258-H331 HydrophobicContact CD2-CB 3.97Å; H263-H331 AromaticContact CD2-CE1 3.54Å; H263-H331 AromaticContact CD2-ND1 3.95Å; A277-H331 VanDerWaalsContact CA-NE2 3.31Å; A277-H331 WeakPolarHBondContact CA-NE2 3.44Å; A277-H331 VanDerWaalsContact CB-CD2 3.42Å; A277-H331 WeakPolarHBondContact CB-CD2 3.5Å; A277-H331 WeakPolarHBondContact CB-NE2 3.45Å; S329-H331 PolarHBondContact O-N 3.49Å; S329-H331 PolarHBondContact O-ND1 3.44Å; H331-Y333 HydrophobicContact CB-CE2 3.59Å; H331-Y333 WeakPolarHBondContact O-CD2 3.33Å; H331-Y333 WeakPolarHBondContact O-CE2 3.27Å; H331-I367 WeakPolarHBondContact O-CA 3.41Å; H331-A368 PolarHBondContact O-N 2.89Å |
| 332 | K | 98 | Very high | 94 | Very high | 48 Ų | 48 | 27.2 Ų | 27.2 | 21% | 0.209 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.4 | 179.1 | -159.5 | -171.4 | -172.1 | -159.5 | 0 | 110.7 | A259 D260 F366 I367 | A259-K332 HydrophobicContact CB-CB 4.27Å; A259-K332 HydrophobicContact CB-CD 4.1Å; A259-K332 HydrophobicContact CB-CG 4.01Å; A259-K332 PolarHBondContact N-O 3.28Å; D260-K332 VanDerWaalsContact OD2-CB 3.32Å; D260-K332 WeakPolarHBondContact OD2-CB 3.22Å; D260-K332 WeakPolarHBondContact OD2-CD 3.3Å; K332-F366 CarbonylContact C-O 3.55Å; K332-F366 WeakPolarHBondContact CA-O 3.45Å; K332-I367 HydrophobicContact CB-CG1 4.16Å; K332-I367 HydrophobicContact CG-CG1 3.97Å |
| 333 | Y | 98.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.6 | -175.5 | -63.2 | -86.1 | 0 | 0 | 0 | 112.6 | V256 I257 L258 L327 Q328 H331 Q365 F366 A368 | V256-Y333 HydrophobicContact CG1-CD1 3.95Å; V256-Y333 HydrophobicContact CG1-CG 4.02Å; I257-Y333 CarbonylContact O-C 3.42Å; I257-Y333 VanDerWaalsContact O-CA 3.22Å; I257-Y333 WeakPolarHBondContact O-CA 3.38Å; I257-Y333 WeakPolarHBondContact O-CB 3.25Å; I257-Y333 WeakPolarHBondContact O-CD1 3.41Å; L258-Y333 HydrophobicContact CD2-CD1 4.01Å; L258-Y333 HydrophobicContact CD2-CE1 3.48Å; L258-Y333 VanDerWaalsContact CD2-CE1 3.48Å; L258-Y333 HydrophobicContact CG-CD1 4.47Å; L258-Y333 HydrophobicContact CG-CE1 4.08Å; L327-Y333 HydrophobicContact CB-CE1 4.45Å; L327-Y333 HydrophobicContact CB-CE2 4.07Å; L327-Y333 HydrophobicContact CD1-CD2 4.25Å; L327-Y333 HydrophobicContact CD1-CE2 4.34Å; L327-Y333 HydrophobicContact CD2-CD1 3.74Å; L327-Y333 HydrophobicContact CD2-CD2 4.46Å; L327-Y333 HydrophobicContact CD2-CE1 3.59Å; L327-Y333 HydrophobicContact CD2-CE2 4.34Å; L327-Y333 HydrophobicContact CD2-CG 4.19Å; L327-Y333 HydrophobicContact CG-CE2 4.49Å; Q328-Y333 WeakPolarHBondContact CA-OH 3.07Å; Q328-Y333 PolarHBondContact N-OH 2.98Å; Q328-Y333 WeakPolarHBondContact O-CE2 3.44Å; Q328-Y333 PolarHBondContact O-OH 3.48Å; H331-Y333 HydrophobicContact CB-CE2 3.59Å; H331-Y333 WeakPolarHBondContact O-CD2 3.33Å; H331-Y333 WeakPolarHBondContact O-CE2 3.27Å; Y333-Q365 VanDerWaalsContact O-CA 3.28Å; Y333-Q365 WeakPolarHBondContact O-CA 3.48Å; Y333-F366 HydrophobicContact CD2-CE2 4.08Å; Y333-F366 HydrophobicContact CD2-CZ 4.45Å; Y333-F366 HydrophobicContact CG-CE2 4.48Å; Y333-F366 HydrophobicContact CG-CZ 4.42Å; Y333-F366 PolarHBondContact N-O 2.83Å; Y333-F366 PolarHBondContact O-N 2.9Å; Y333-F366 VanDerWaalsContact O-N 3.11Å; Y333-A368 HydrophobicContact CD2-CB 3.9Å; Y333-A368 HydrophobicContact CE2-CB 3.59Å |
| 334 | Q | 98.3 | Very high | 94 | Very high | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 115 | 173.4 | 174.4 | 68.3 | 76.3 | 0 | 0 | 108.4 | I257 A259 R336 T360 F361 T364 Q365 | I257-Q334 HydrophobicContact CG1-CB 4.07Å; I257-Q334 WeakPolarHBondContact CG1-O 3.12Å; I257-Q334 PolarHBondContact N-O 3.08Å; I257-Q334 VanDerWaalsContact N-O 3.09Å; I257-Q334 PolarHBondContact O-N 3.21Å; A259-Q334 HydrophobicContact CB-CB 4.2Å; Q334-R336 HydrophobicContact CG-CG 4.4Å; Q334-T360 VanDerWaalsContact CD-CG2 3.45Å; Q334-T360 HydrophobicContact CG-CG2 3.6Å; Q334-F361 PolarHBondContact NE2-O 2.89Å; Q334-T364 PolarHBondContact NE2-OG1 3.02Å; Q334-Q365 HydrophobicContact CB-CG 4.24Å |
| 335 | P | 98.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.5 | 162.9 | -17.4 | 30.7 | 0 | 0 | 0 | 111.1 | M233 L237 V254 D255 T364 F366 | M233-P335 HydrophobicContact CE-CG 4.48Å; L237-P335 HydrophobicContact CD1-CB 3.61Å; L237-P335 HydrophobicContact CD1-CG 4.02Å; L237-P335 HydrophobicContact CD2-CB 4.18Å; L237-P335 HydrophobicContact CD2-CG 4.27Å; V254-P335 HydrophobicContact CG1-CB 4.32Å; D255-P335 WeakPolarHBondContact O-CA 3.36Å; P335-T364 WeakPolarHBondContact CD-O 3.36Å; P335-F366 HydrophobicContact CG-CD1 4.24Å; P335-F366 HydrophobicContact CG-CE1 3.94Å |
| 336 | R | 98.3 | Very high | 91.1 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.2 | 165.8 | -47.1 | 147.6 | 58.9 | -153.7 | 9.7 | 108.5 | V254 D255 Q334 T358 F359 T360 | V254-R336 VanDerWaalsContact CA-O 3.28Å; V254-R336 WeakPolarHBondContact CA-O 3.25Å; D255-R336 PolarHBondContact N-O 3.07Å; D255-R336 VanDerWaalsContact N-O 3.07Å; D255-R336 PolarHBondContact O-N 2.84Å; D255-R336 VanDerWaalsContact OD1-CB 3.31Å; D255-R336 WeakPolarHBondContact OD1-CB 3.08Å; D255-R336 VanDerWaalsContact OD1-CD 3.3Å; D255-R336 WeakPolarHBondContact OD1-CD 3.43Å; D255-R336 IonicContact OD1-CZ 3.93Å; D255-R336 IonicContact OD1-NE 3.8Å; D255-R336 IonicContact OD1-NH1 3.46Å; D255-R336 PolarHBondContact OD1-NH1 3.46Å; D255-R336 IonicContact OD2-CZ 3.74Å; D255-R336 IonicContact OD2-NH1 3.81Å; D255-R336 PolarHBondContact OD2-NH1 2.95Å; Q334-R336 HydrophobicContact CG-CG 4.4Å; R336-T358 HydrophobicContact CB-CG2 3.94Å; R336-T358 HydrophobicContact CG-CG2 4.42Å; R336-F359 WeakPolarHBondContact CA-O 3.34Å; R336-T360 HydrophobicContact CG-CG2 4.12Å |
| 337 | L | 98.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 142.8 | 169.7 | -174.8 | 73.4 | 0 | 0 | 0 | 108.7 | V206 F239 I241 I252 V254 F306 T358 F359 | V206-L337 HydrophobicContact CG1-CD2 3.61Å; V206-L337 HydrophobicContact CG2-CD2 4.32Å; F239-L337 HydrophobicContact CB-CD2 4.38Å; F239-L337 HydrophobicContact CD1-CD2 4.27Å; F239-L337 HydrophobicContact CD2-CD1 3.99Å; F239-L337 HydrophobicContact CD2-CD2 3.94Å; F239-L337 HydrophobicContact CD2-CG 4.48Å; F239-L337 HydrophobicContact CE2-CB 4.35Å; F239-L337 HydrophobicContact CE2-CD1 3.81Å; F239-L337 HydrophobicContact CE2-CD2 4.25Å; F239-L337 HydrophobicContact CE2-CG 4.37Å; F239-L337 HydrophobicContact CG-CD2 3.95Å; F239-L337 HydrophobicContact CZ-CB 4.19Å; F239-L337 HydrophobicContact CZ-CD1 4.48Å; I241-L337 HydrophobicContact CD1-CD2 4.09Å; I252-L337 HydrophobicContact CG2-CD1 3.75Å; I252-L337 HydrophobicContact CG2-CG 4.37Å; V254-L337 HydrophobicContact CG2-CD1 3.8Å; F306-L337 HydrophobicContact CE2-CD1 3.61Å; F306-L337 HydrophobicContact CZ-CD1 3.69Å; L337-T358 CarbonylContact O-C 3.57Å; L337-T358 WeakPolarHBondContact O-CA 3.4Å; L337-F359 HydrophobicContact CB-CB 4.4Å; L337-F359 PolarHBondContact N-O 2.56Å; L337-F359 PolarHBondContact O-N 3.27Å |
| 338 | H | 97.3 | Very high | 87.4 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.9 | 172.9 | -55.5 | -96 | 0 | 0 | 0 | 109.1 | I252 F253 D255 V340 Q357 T358 | I252-H338 WeakPolarHBondContact CA-O 3.31Å; F253-H338 HydrophobicContact CD1-CB 4.23Å; F253-H338 HydrophobicContact CD2-CB 3.85Å; F253-H338 AromaticContact CD2-CD2 3.65Å; F253-H338 AromaticContact CD2-CG 3.96Å; F253-H338 HydrophobicContact CE1-CB 3.92Å; F253-H338 HydrophobicContact CE2-CB 3.5Å; F253-H338 AromaticContact CE2-CD2 3.37Å; F253-H338 WeakPolarHBondContact CE2-CD2 3.48Å; F253-H338 AromaticContact CE2-CG 3.41Å; F253-H338 VanDerWaalsContact CE2-CG 3.41Å; F253-H338 HydrophobicContact CG-CB 4.21Å; F253-H338 HydrophobicContact CZ-CB 3.54Å; F253-H338 AromaticContact CZ-CG 3.81Å; F253-H338 PolarHBondContact N-O 3.09Å; F253-H338 VanDerWaalsContact N-O 3.08Å; F253-H338 PolarHBondContact O-N 3.38Å; D255-H338 VanDerWaalsContact CG-NE2 3.27Å; D255-H338 IonicContact OD1-CD2 3.58Å; D255-H338 IonicContact OD1-CE1 3.71Å; D255-H338 IonicContact OD1-NE2 3.86Å; D255-H338 PolarHBondContact OD1-NE2 3.22Å; D255-H338 IonicContact OD2-NE2 2.77Å; H338-V340 HydrophobicContact CB-CG2 4.46Å; H338-Q357 WeakPolarHBondContact CA-O 3.28Å; H338-T358 PolarHBondContact CE1-OG1 3.34Å; H338-T358 PolarHBondContact ND1-OG1 2.87Å |
| 339 | V | 96.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.9 | 168.8 | -176.7 | 0 | 0 | 0 | 0 | 106.8 | I241 L244 Y250 I252 Q357 F359 | I241-V339 HydrophobicContact CD1-CG2 3.94Å; L244-V339 HydrophobicContact CD2-CG1 3.88Å; Y250-V339 HydrophobicContact CD1-CG1 3.75Å; Y250-V339 HydrophobicContact CE1-CG1 4.49Å; Y250-V339 HydrophobicContact CG-CG1 4.26Å; I252-V339 HydrophobicContact CD1-CG1 4.23Å; I252-V339 HydrophobicContact CD1-CG2 4.13Å; I252-V339 HydrophobicContact CG1-CG1 4.23Å; I252-V339 HydrophobicContact CG1-CG2 4.33Å; V339-Q357 PolarHBondContact N-O 2.92Å; V339-Q357 PolarHBondContact O-N 2.89Å; V339-F359 HydrophobicContact CG2-CD2 4.45Å; V339-F359 HydrophobicContact CG2-CE2 4.14Å |
| 340 | V | 94.9 | Very high | 83.5 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 13% | 0.127 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 120.9 | -174.8 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | Y250 N251 F253 H338 R355 V356 | Y250-V340 CarbonylContact C-O 3.53Å; Y250-V340 VanDerWaalsContact CA-O 3.27Å; Y250-V340 WeakPolarHBondContact CA-O 3.41Å; N251-V340 PolarHBondContact N-O 3.28Å; N251-V340 PolarHBondContact O-N 3.06Å; F253-V340 HydrophobicContact CE1-CG2 3.6Å; F253-V340 HydrophobicContact CZ-CG2 4.15Å; H338-V340 HydrophobicContact CB-CG2 4.46Å; V340-R355 WeakPolarHBondContact CA-O 3.33Å; V340-R355 HydrophobicContact CG1-CG 4.44Å; V340-V356 HydrophobicContact CG1-CG2 3.99Å; V340-V356 HydrophobicContact CG2-CB 4.27Å; V340-V356 HydrophobicContact CG2-CG1 4.02Å; V340-V356 HydrophobicContact CG2-CG2 3.9Å |
| 341 | E | 92.8 | Very high | 81.4 | Confident | 72 Ų | 72 | 56.6 Ų | 56.6 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 145.3 | 178.9 | -157.3 | 162.8 | 127.9 | 0 | 0 | 111.4 | A248 Y250 R355 | A248-E341 HydrophobicContact CB-CG 4.29Å; Y250-E341 HydrophobicContact CD1-CB 3.9Å; Y250-E341 HydrophobicContact CD1-CG 4.04Å; Y250-E341 HydrophobicContact CE1-CB 3.65Å; Y250-E341 HydrophobicContact CE1-CG 3.53Å; Y250-E341 WeakPolarHBondContact CE1-OE2 3.35Å; Y250-E341 VanDerWaalsContact CZ-OE2 3.24Å; Y250-E341 PolarHBondContact OH-OE2 3.46Å; E341-R355 HydrophobicContact CB-CG 4.33Å; E341-R355 PolarHBondContact N-O 2.73Å; E341-R355 VanDerWaalsContact N-O 3.15Å; E341-R355 PolarHBondContact O-NE 2.84Å; E341-R355 PolarHBondContact O-NH2 2.86Å |
| 342 | V | 89.7 | Confident | 79.4 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 108.1 | -175.4 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | H249 P293 E344 | H249-V342 HydrophobicContact CB-CB 4.04Å; H249-V342 HydrophobicContact CB-CG2 4.46Å; H249-V342 WeakPolarHBondContact O-CB 3.37Å; H249-V342 PolarHBondContact O-N 2.86Å; P293-V342 HydrophobicContact CB-CG2 4.21Å; V342-E344 PolarHBondContact O-N 3.26Å |
| 343 | N | 80.9 | Confident | 77.3 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 23% | 0.225 | 37% | 0.367 | C | S | . | . | trans | -52 | 130.2 | 172 | -71.6 | 20.5 | 0 | 0 | 0 | 111.1 | D345 G346 T347 R355 | N343-D345 WeakPolarHBondContact CB-OD1 3.48Å; N343-D345 PolarHBondContact O-N 3.18Å; N343-G346 PolarHBondContact O-N 3.15Å; N343-T347 PolarHBondContact ND2-O 3.46Å; N343-T347 PolarHBondContact ND2-OG1 2.9Å; N343-R355 VanDerWaalsContact CG-NH1 3.31Å; N343-R355 PolarHBondContact ND2-NH1 2.94Å; N343-R355 PolarHBondContact OD1-NE 3.22Å; N343-R355 PolarHBondContact OD1-NH1 2.83Å; N343-R355 PolarHBondContact OD1-NH2 3.4Å | ||
| 344 | E | 69.7 | Low | 75.6 | Confident | 193 Ų | 193 | 68.2 Ų | 68.2 | 90% | 0.902 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -29.2 | 178.3 | -58.9 | -165.7 | 126.7 | 0 | 0 | 112.3 | V342 G346 | V342-E344 PolarHBondContact O-N 3.26Å; E344-G346 PolarHBondContact O-N 2.87Å |
| 345 | D | 66.3 | Low | 74.7 | Confident | 112 Ų | 112 | 70 Ų | 70 | 60% | 0.599 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 2.7 | 177.5 | 54.6 | -70.9 | 0 | 0 | 0 | 114.1 | N343 T347 | N343-D345 WeakPolarHBondContact CB-OD1 3.48Å; N343-D345 PolarHBondContact O-N 3.18Å; D345-T347 PolarHBondContact O-N 3.4Å; D345-T347 WeakPolarHBondContact OD2-CB 3.33Å; D345-T347 WeakPolarHBondContact OD2-CG2 3.34Å; D345-T347 PolarHBondContact OD2-OG1 3.35Å |
| 346 | G | 58.4 | Low | 74.2 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | trans | 72.2 | 5.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N343 E344 | N343-G346 PolarHBondContact O-N 3.15Å; E344-G346 PolarHBondContact O-N 2.87Å | ||
| 347 | T | 58.4 | Low | 74 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | trans | -75.5 | 128.8 | 179.2 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | N343 D345 D349 R355 | N343-T347 PolarHBondContact ND2-O 3.46Å; N343-T347 PolarHBondContact ND2-OG1 2.9Å; D345-T347 PolarHBondContact O-N 3.4Å; D345-T347 WeakPolarHBondContact OD2-CB 3.33Å; D345-T347 WeakPolarHBondContact OD2-CG2 3.34Å; D345-T347 PolarHBondContact OD2-OG1 3.35Å; T347-D349 PolarHBondContact O-N 3.11Å; T347-R355 PolarHBondContact O-NH1 3.34Å; T347-R355 PolarHBondContact O-NH2 3.15Å | ||
| 348 | E | 55 | Low | 74 | Confident | 155 Ų | 155 | 74.9 Ų | 74.9 | 72% | 0.724 | 43% | 0.434 | S | S | * | . | trans | -79.4 | 48.5 | 163.6 | -78 | -153.2 | 133.3 | 0 | 0 | 111.4 | T350 | E348-T350 PolarHBondContact O-N 3.36Å; E348-T350 PolarHBondContact O-OG1 3.04Å | ||
| 349 | D | 52 | Low | 74 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 40% | 0.401 | 44% | 0.44 | S | S | . | . | trans | -66 | 81.2 | 168.2 | -103.2 | 30.8 | 0 | 0 | 0 | 109.6 | T347 S351 R355 | T347-D349 PolarHBondContact O-N 3.11Å; D349-S351 PolarHBondContact O-N 3.23Å; D349-R355 PolarHBondContact O-NH1 3.24Å | ||
| 350 | T | 56.7 | Low | 74 | Confident | 120 Ų | 120 | 79.5 Ų | 79.5 | 74% | 0.736 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -7.9 | 176.1 | -50.6 | 0 | 0 | 0 | 0 | 110.8 | E348 Q352 | E348-T350 PolarHBondContact O-N 3.36Å; E348-T350 PolarHBondContact O-OG1 3.04Å; T350-Q352 VanDerWaalsContact C-N 3.32Å; T350-Q352 PolarHBondContact O-N 2.65Å |
| 351 | S | 53.4 | Low | 74.2 | Confident | 83 Ų | 83 | 79.7 Ų | 79.7 | 58% | 0.58 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.4 | 176.7 | 46.2 | 0 | 0 | 0 | 0 | 114.1 | D349 P353 | D349-S351 PolarHBondContact O-N 3.23Å; S351-P353 VanDerWaalsContact O-CD 3.29Å; S351-P353 WeakPolarHBondContact O-CD 3.45Å |
| 352 | Q | 54.7 | Low | 74.5 | Confident | 116 Ų | 116 | 79.8 Ų | 79.8 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -82.1 | 111.3 | -171 | -64 | -65 | -6.6 | 0 | 0 | 112.8 | T350 G354 R355 | T350-Q352 VanDerWaalsContact C-N 3.32Å; T350-Q352 PolarHBondContact O-N 2.65Å; Q352-G354 PolarHBondContact O-N 3Å; Q352-R355 PolarHBondContact O-N 3.24Å |
| 353 | P | 54.4 | Low | 74.9 | Confident | 131 Ų | 131 | 78.1 Ų | 78.1 | 85% | 0.851 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 96.2 | -175.4 | 31.5 | -34.6 | 0 | 0 | 0 | 111.5 | S351 | S351-P353 VanDerWaalsContact O-CD 3.29Å; S351-P353 WeakPolarHBondContact O-CD 3.45Å |
| 354 | G | 62.6 | Low | 75.8 | Confident | 54 Ų | 54 | 76.2 Ų | 76.2 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 149.5 | -22 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q352 V356 | Q352-G354 PolarHBondContact O-N 3Å; G354-V356 PolarHBondContact O-N 3.18Å |
| 355 | R | 79.2 | Confident | 77.1 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 19% | 0.185 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -60.9 | -24 | -178.7 | -172.4 | 176 | 173.4 | -179.1 | 4.6 | 114.3 | V340 E341 N343 T347 D349 Q352 | V340-R355 WeakPolarHBondContact CA-O 3.33Å; V340-R355 HydrophobicContact CG1-CG 4.44Å; E341-R355 HydrophobicContact CB-CG 4.33Å; E341-R355 PolarHBondContact N-O 2.73Å; E341-R355 VanDerWaalsContact N-O 3.15Å; E341-R355 PolarHBondContact O-NE 2.84Å; E341-R355 PolarHBondContact O-NH2 2.86Å; N343-R355 VanDerWaalsContact CG-NH1 3.31Å; N343-R355 PolarHBondContact ND2-NH1 2.94Å; N343-R355 PolarHBondContact OD1-NE 3.22Å; N343-R355 PolarHBondContact OD1-NH1 2.83Å; N343-R355 PolarHBondContact OD1-NH2 3.4Å; T347-R355 PolarHBondContact O-NH1 3.34Å; T347-R355 PolarHBondContact O-NH2 3.15Å; D349-R355 PolarHBondContact O-NH1 3.24Å; Q352-R355 PolarHBondContact O-N 3.24Å |
| 356 | V | 88.9 | Confident | 78.7 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.6 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | V340 G354 | V340-V356 HydrophobicContact CG1-CG2 3.99Å; V340-V356 HydrophobicContact CG2-CB 4.27Å; V340-V356 HydrophobicContact CG2-CG1 4.02Å; V340-V356 HydrophobicContact CG2-CG2 3.9Å; G354-V356 PolarHBondContact O-N 3.18Å |
| 357 | Q | 94.4 | Very high | 80.6 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 107.9 | 177.6 | -56.4 | -172.8 | 43.3 | 0 | 0 | 109.7 | G202 H338 V339 F359 | G202-Q357 PolarHBondContact O-NE2 3.48Å; H338-Q357 WeakPolarHBondContact CA-O 3.28Å; V339-Q357 PolarHBondContact N-O 2.92Å; V339-Q357 PolarHBondContact O-N 2.89Å; Q357-F359 HydrophobicContact CB-CE2 3.64Å; Q357-F359 HydrophobicContact CB-CZ 3.92Å; Q357-F359 WeakPolarHBondContact O-CD2 3.29Å; Q357-F359 WeakPolarHBondContact O-CE2 3.24Å |
| 358 | T | 96.6 | Very high | 82.5 | Confident | 56 Ų | 56 | 58 Ų | 58 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.9 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | R336 L337 H338 | R336-T358 HydrophobicContact CB-CG2 3.94Å; R336-T358 HydrophobicContact CG-CG2 4.42Å; L337-T358 CarbonylContact O-C 3.57Å; L337-T358 WeakPolarHBondContact O-CA 3.4Å; H338-T358 PolarHBondContact CE1-OG1 3.34Å; H338-T358 PolarHBondContact ND1-OG1 2.87Å |
| 359 | F | 97.9 | Very high | 84.6 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 18% | 0.18 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.4 | 174.4 | -57 | -89.1 | 0 | 0 | 0 | 110.5 | A204 V206 R336 L337 V339 Q357 F361 | A204-F359 HydrophobicContact CB-CE2 4.26Å; A204-F359 HydrophobicContact CB-CZ 3.88Å; A204-F359 WeakPolarHBondContact O-CE1 3.35Å; A204-F359 VanDerWaalsContact O-CZ 3.26Å; A204-F359 WeakPolarHBondContact O-CZ 3.43Å; V206-F359 HydrophobicContact CB-CB 4.25Å; V206-F359 HydrophobicContact CB-CD1 3.8Å; V206-F359 HydrophobicContact CB-CD2 4.2Å; V206-F359 HydrophobicContact CB-CE1 4.24Å; V206-F359 HydrophobicContact CB-CG 3.79Å; V206-F359 HydrophobicContact CG1-CB 4.41Å; V206-F359 HydrophobicContact CG1-CG 4.4Å; V206-F359 HydrophobicContact CG2-CB 4.42Å; V206-F359 HydrophobicContact CG2-CD1 3.74Å; V206-F359 HydrophobicContact CG2-CD2 3.47Å; V206-F359 VanDerWaalsContact CG2-CD2 3.47Å; V206-F359 HydrophobicContact CG2-CE1 3.82Å; V206-F359 HydrophobicContact CG2-CE2 3.56Å; V206-F359 HydrophobicContact CG2-CG 3.58Å; V206-F359 HydrophobicContact CG2-CZ 3.75Å; R336-F359 WeakPolarHBondContact CA-O 3.34Å; L337-F359 HydrophobicContact CB-CB 4.4Å; L337-F359 PolarHBondContact N-O 2.56Å; L337-F359 PolarHBondContact O-N 3.27Å; V339-F359 HydrophobicContact CG2-CD2 4.45Å; V339-F359 HydrophobicContact CG2-CE2 4.14Å; Q357-F359 HydrophobicContact CB-CE2 3.64Å; Q357-F359 HydrophobicContact CB-CZ 3.92Å; Q357-F359 WeakPolarHBondContact O-CD2 3.29Å; Q357-F359 WeakPolarHBondContact O-CE2 3.24Å; F359-F361 HydrophobicContact CB-CE2 4.03Å |
| 360 | T | 98.1 | Very high | 86.8 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.4 | -175 | -51.5 | 0 | 0 | 0 | 0 | 110.2 | Q334 R336 | Q334-T360 VanDerWaalsContact CD-CG2 3.45Å; Q334-T360 HydrophobicContact CG-CG2 3.6Å; R336-T360 HydrophobicContact CG-CG2 4.12Å |
| 361 | F | 98.5 | Very high | 88.8 | Confident | 25 Ų | 25 | 48 Ų | 48 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -118.2 | 101.8 | -177 | -64.6 | -85.4 | 0 | 0 | 0 | 109.5 | V206 L208 F239 Q334 F359 E363 T364 | V206-F361 HydrophobicContact CB-CZ 4.39Å; V206-F361 HydrophobicContact CG1-CE2 4.07Å; V206-F361 HydrophobicContact CG1-CZ 3.92Å; L208-F361 HydrophobicContact CB-CD1 3.75Å; L208-F361 HydrophobicContact CB-CE1 3.82Å; L208-F361 HydrophobicContact CB-CG 4.17Å; L208-F361 HydrophobicContact CB-CZ 4.28Å; L208-F361 HydrophobicContact CD2-CB 4.29Å; L208-F361 HydrophobicContact CD2-CD1 4.43Å; L208-F361 HydrophobicContact CD2-CG 4.42Å; F239-F361 AromaticContact CD1-CE2 3.95Å; F239-F361 HydrophobicContact CD1-CE2 3.95Å; F239-F361 HydrophobicContact CD1-CZ 4.45Å; F239-F361 AromaticContact CE1-CD2 3.76Å; F239-F361 HydrophobicContact CE1-CD2 3.76Å; F239-F361 AromaticContact CE1-CE2 3.58Å; F239-F361 HydrophobicContact CE1-CE2 3.58Å; F239-F361 HydrophobicContact CE1-CZ 4.44Å; Q334-F361 PolarHBondContact NE2-O 2.89Å; F359-F361 HydrophobicContact CB-CE2 4.03Å; F361-E363 PolarHBondContact O-N 2.69Å; F361-T364 HydrophobicContact CB-CG2 3.82Å; F361-T364 PolarHBondContact O-N 2.68Å; F361-T364 PolarHBondContact O-OG1 3.18Å | ||
| 362 | P | 98.4 | Very high | 90.9 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -57.5 | -31.6 | -174.8 | -27.6 | 36.3 | 0 | 0 | 0 | 114 | H218 T364 Q365 | H218-P362 PolarHBondContact CE1-O 3.4Å; P362-T364 PolarHBondContact O-N 3.29Å; P362-Q365 WeakPolarHBondContact O-CB 3.34Å; P362-Q365 VanDerWaalsContact O-CG 3.28Å; P362-Q365 WeakPolarHBondContact O-CG 3.46Å; P362-Q365 PolarHBondContact O-N 3.13Å; P362-Q365 VanDerWaalsContact O-N 3.14Å |
| 363 | E | 98.4 | Very high | 93 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -66.3 | -16.3 | 176.8 | 70.8 | -83 | -165 | 0 | 0 | 113.9 | L208 R211 W214 L215 H218 F361 Q365 | L208-E363 HydrophobicContact CD2-CG 3.91Å; L208-E363 WeakPolarHBondContact CD2-OE1 3.45Å; R211-E363 WeakPolarHBondContact CD-OE1 3.36Å; R211-E363 HydrophobicContact CG-CG 4.45Å; R211-E363 IonicContact CZ-OE1 2.62Å; R211-E363 IonicContact CZ-OE2 3.28Å; R211-E363 IonicContact NE-OE1 3.92Å; R211-E363 PolarHBondContact NE-OE1 3.14Å; R211-E363 VanDerWaalsContact NH1-CD 3.26Å; R211-E363 IonicContact NH1-OE1 3.9Å; R211-E363 PolarHBondContact NH1-OE1 3.31Å; R211-E363 IonicContact NH1-OE2 3.45Å; R211-E363 PolarHBondContact NH1-OE2 3.14Å; R211-E363 IonicContact NH2-OE2 3.18Å; W214-E363 HydrophobicContact CB-CG 4.03Å; L215-E363 HydrophobicContact CD2-CB 3.78Å; L215-E363 HydrophobicContact CD2-CG 4.29Å; L215-E363 HydrophobicContact CG-CB 4.4Å; L215-E363 HydrophobicContact CG-CG 4.49Å; H218-E363 HydrophobicContact CB-CB 4.36Å; H218-E363 WeakPolarHBondContact ND1-CA 3.21Å; H218-E363 PolarHBondContact ND1-O 2.74Å; F361-E363 PolarHBondContact O-N 2.69Å; E363-Q365 VanDerWaalsContact C-N 3.33Å |
| 364 | T | 98.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -86.8 | 0.7 | 176 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | L208 W214 L237 Q334 P335 F361 P362 | L208-T364 HydrophobicContact CD1-CG2 3.95Å; L208-T364 HydrophobicContact CD2-CG2 3.53Å; L208-T364 HydrophobicContact CG-CG2 4.43Å; W214-T364 HydrophobicContact CD2-CG2 3.85Å; W214-T364 HydrophobicContact CE3-CG2 3.96Å; W214-T364 HydrophobicContact CG-CG2 4.29Å; W214-T364 HydrophobicContact CH2-CG2 4.42Å; W214-T364 HydrophobicContact CZ2-CG2 4.32Å; W214-T364 HydrophobicContact CZ3-CG2 4.25Å; L237-T364 HydrophobicContact CD2-CG2 3.89Å; Q334-T364 PolarHBondContact NE2-OG1 3.02Å; P335-T364 WeakPolarHBondContact CD-O 3.36Å; F361-T364 HydrophobicContact CB-CG2 3.82Å; F361-T364 PolarHBondContact O-N 2.68Å; F361-T364 PolarHBondContact O-OG1 3.18Å; P362-T364 PolarHBondContact O-N 3.29Å |
| 365 | Q | 98.7 | Very high | 96.7 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | trans | -58.2 | 141.5 | 171.1 | -72 | -179.2 | 14.1 | 0 | 0 | 111.6 | T222 Y333 Q334 P362 E363 | T222-Q365 WeakPolarHBondContact CB-O 3.44Å; T222-Q365 PolarHBondContact OG1-O 3.42Å; Y333-Q365 VanDerWaalsContact O-CA 3.28Å; Y333-Q365 WeakPolarHBondContact O-CA 3.48Å; Q334-Q365 HydrophobicContact CB-CG 4.24Å; P362-Q365 WeakPolarHBondContact O-CB 3.34Å; P362-Q365 VanDerWaalsContact O-CG 3.28Å; P362-Q365 WeakPolarHBondContact O-CG 3.46Å; P362-Q365 PolarHBondContact O-N 3.13Å; P362-Q365 VanDerWaalsContact O-N 3.14Å; E363-Q365 VanDerWaalsContact C-N 3.33Å | ||
| 366 | F | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 159.2 | 178.4 | 68.7 | -91.3 | 0 | 0 | 0 | 112.6 | T222 M224 M233 V256 L311 L327 K332 Y333 P335 A368 | T222-F366 HydrophobicContact CG2-CB 3.81Å; T222-F366 CarbonylContact O-C 3.54Å; T222-F366 WeakPolarHBondContact O-CA 3.42Å; T222-F366 VanDerWaalsContact O-CB 3.27Å; T222-F366 WeakPolarHBondContact O-CB 3.4Å; M224-F366 HydrophobicContact CB-CD2 3.51Å; M224-F366 HydrophobicContact CB-CE2 3.8Å; M224-F366 HydrophobicContact CB-CG 4.13Å; M224-F366 HydrophobicContact CG-CB 3.82Å; M224-F366 HydrophobicContact CG-CD1 4.1Å; M224-F366 HydrophobicContact CG-CD2 3.44Å; M224-F366 VanDerWaalsContact CG-CD2 3.44Å; M224-F366 HydrophobicContact CG-CE2 3.97Å; M224-F366 HydrophobicContact CG-CG 3.52Å; M224-F366 HydrophobicContact CG-CZ 4.5Å; M233-F366 HydrophobicContact CE-CD1 4.07Å; M233-F366 HydrophobicContact CE-CE1 3.73Å; M233-F366 HydrophobicContact CE-CZ 4.37Å; V256-F366 HydrophobicContact CG1-CE1 4.31Å; V256-F366 HydrophobicContact CG1-CZ 4.09Å; L311-F366 HydrophobicContact CD1-CE2 3.87Å; L311-F366 HydrophobicContact CD1-CZ 3.76Å; L327-F366 HydrophobicContact CD1-CE2 3.77Å; L327-F366 HydrophobicContact CD1-CZ 3.71Å; K332-F366 CarbonylContact C-O 3.55Å; K332-F366 WeakPolarHBondContact CA-O 3.45Å; Y333-F366 HydrophobicContact CD2-CE2 4.08Å; Y333-F366 HydrophobicContact CD2-CZ 4.45Å; Y333-F366 HydrophobicContact CG-CE2 4.48Å; Y333-F366 HydrophobicContact CG-CZ 4.42Å; Y333-F366 PolarHBondContact N-O 2.83Å; Y333-F366 PolarHBondContact O-N 2.9Å; Y333-F366 VanDerWaalsContact O-N 3.11Å; P335-F366 HydrophobicContact CG-CD1 4.24Å; P335-F366 HydrophobicContact CG-CE1 3.94Å; F366-A368 HydrophobicContact CE2-CB 4.13Å |
| 367 | I | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.1 | 166.9 | -60.3 | 173.5 | 0 | 0 | 0 | 108.4 | T222 E223 M224 W271 H331 K332 V369 | T222-I367 PolarHBondContact O-N 3.49Å; E223-I367 CarbonylContact C-O 3.6Å; E223-I367 WeakPolarHBondContact CA-O 3.35Å; M224-I367 PolarHBondContact N-O 3.29Å; W271-I367 HydrophobicContact CB-CD1 4.27Å; W271-I367 HydrophobicContact CD2-CD1 3.44Å; W271-I367 VanDerWaalsContact CD2-CD1 3.44Å; W271-I367 HydrophobicContact CE3-CD1 3.8Å; W271-I367 HydrophobicContact CG-CD1 3.67Å; W271-I367 HydrophobicContact CH2-CB 4.48Å; W271-I367 HydrophobicContact CH2-CD1 4.47Å; W271-I367 HydrophobicContact CH2-CG2 3.68Å; W271-I367 HydrophobicContact CZ2-CB 4.36Å; W271-I367 HydrophobicContact CZ2-CD1 4.2Å; W271-I367 HydrophobicContact CZ2-CG2 4.04Å; W271-I367 HydrophobicContact CZ3-CD1 4.29Å; W271-I367 HydrophobicContact CZ3-CG2 3.95Å; H331-I367 WeakPolarHBondContact O-CA 3.41Å; K332-I367 HydrophobicContact CB-CG1 4.16Å; K332-I367 HydrophobicContact CG-CG1 3.97Å; I367-V369 HydrophobicContact CG2-CG1 4.1Å |
| 368 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | M224 I226 L327 S329 L330 H331 Y333 F366 | M224-A368 WeakPolarHBondContact O-CA 3.2Å; I226-A368 HydrophobicContact CD1-CB 4.18Å; I226-A368 HydrophobicContact CG2-CB 3.98Å; L327-A368 HydrophobicContact CB-CB 4.33Å; L327-A368 HydrophobicContact CD1-CB 4.18Å; S329-A368 CarbonylContact C-O 3.6Å; L330-A368 PolarHBondContact N-O 2.92Å; H331-A368 PolarHBondContact O-N 2.89Å; Y333-A368 HydrophobicContact CD2-CB 3.9Å; Y333-A368 HydrophobicContact CE2-CB 3.59Å; F366-A368 HydrophobicContact CE2-CB 4.13Å |
| 369 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 153.1 | -174.8 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | E223 M224 I225 I226 W271 L330 I367 A371 Y372 Q373 | E223-V369 HydrophobicContact CB-CG1 4.43Å; E223-V369 HydrophobicContact CB-CG2 3.96Å; M224-V369 PolarHBondContact O-N 2.88Å; I225-V369 CarbonylContact C-O 3.55Å; I225-V369 VanDerWaalsContact CA-O 3.24Å; I225-V369 WeakPolarHBondContact CA-O 3.35Å; I225-V369 HydrophobicContact CD1-CG2 4.12Å; I226-V369 PolarHBondContact N-O 2.84Å; W271-V369 HydrophobicContact CH2-CG1 3.8Å; W271-V369 HydrophobicContact CZ2-CG1 4.04Å; L330-V369 HydrophobicContact CD2-CG1 4.46Å; I367-V369 HydrophobicContact CG2-CG1 4.1Å; V369-A371 WeakPolarHBondContact CB-O 3.36Å; V369-A371 WeakPolarHBondContact CG2-O 3.27Å; V369-Y372 HydrophobicContact CG2-CD1 4.34Å; V369-Q373 HydrophobicContact CG1-CG 4.28Å |
| 370 | T | 98.4 | Very high | 98.1 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 52% | 0.521 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -85.1 | -28.6 | 174 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | I226 | I226-T370 HydrophobicContact CG1-CG2 4.47Š|
| 371 | A | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 45% | 0.446 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -142.1 | 153.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | V369 Q373 | V369-A371 WeakPolarHBondContact CB-O 3.36Å; V369-A371 WeakPolarHBondContact CG2-O 3.27Å; A371-Q373 PolarHBondContact O-NE2 2.91Å |
| 372 | Y | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 33.6 Ų | 33.6 | 28% | 0.282 | 19% | 0.187 | S | C | . | . | trans | -63.4 | 145.6 | 178.9 | -63.9 | -57.1 | 0 | 0 | 0 | 111.4 | E223 I225 V369 I377 T378 K381 | E223-Y372 HydrophobicContact CB-CD1 4.03Å; E223-Y372 HydrophobicContact CB-CE1 4.38Å; E223-Y372 WeakPolarHBondContact OE2-CA 3.3Å; I225-Y372 HydrophobicContact CD1-CD1 4.03Å; I225-Y372 HydrophobicContact CD1-CD2 4.29Å; I225-Y372 HydrophobicContact CD1-CE1 3.98Å; I225-Y372 HydrophobicContact CD1-CE2 4.24Å; I225-Y372 HydrophobicContact CD1-CG 4.17Å; I225-Y372 HydrophobicContact CG1-CD1 4.12Å; I225-Y372 HydrophobicContact CG1-CE1 3.54Å; I225-Y372 HydrophobicContact CG1-CE2 3.98Å; I225-Y372 VanDerWaalsContact CG1-CZ 3.45Å; V369-Y372 HydrophobicContact CG2-CD1 4.34Å; Y372-I377 HydrophobicContact CD1-CG2 4.12Å; Y372-I377 HydrophobicContact CE1-CG2 4.3Å; Y372-T378 VanDerWaalsContact CB-OG1 3.24Å; Y372-T378 WeakPolarHBondContact CB-OG1 3.24Å; Y372-T378 HydrophobicContact CD2-CG2 4.28Å; Y372-K381 HydrophobicContact CE1-CD 4.3Å; Y372-K381 HydrophobicContact CE1-CG 4.21Å; Y372-K381 HydrophobicContact CE2-CG 4.06Å; Y372-K381 WeakPolarHBondContact OH-CD 3.4Å; Y372-K381 WeakPolarHBondContact OH-CE 3.3Å; Y372-K381 WeakPolarHBondContact OH-CG 3.45Å | ||
| 373 | Q | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 33.6 Ų | 33.6 | 36% | 0.355 | 18% | 0.183 | S | C | . | . | trans | -107.1 | -45.3 | 179.4 | -52.1 | -62.3 | -74.2 | 0 | 0 | 110.9 | E223 F266 W271 V369 A371 | E223-Q373 PolarHBondContact OE1-N 2.79Å; E223-Q373 PolarHBondContact OE2-N 3.5Å; F266-Q373 HydrophobicContact CB-CB 3.59Å; F266-Q373 HydrophobicContact CB-CG 4.07Å; F266-Q373 HydrophobicContact CD1-CB 3.75Å; F266-Q373 HydrophobicContact CD2-CB 4.37Å; F266-Q373 HydrophobicContact CE1-CB 4.49Å; F266-Q373 VanDerWaalsContact CE1-O 3.27Å; F266-Q373 WeakPolarHBondContact CE1-O 3.44Å; F266-Q373 HydrophobicContact CG-CB 3.67Å; W271-Q373 HydrophobicContact CH2-CB 4.24Å; W271-Q373 HydrophobicContact CH2-CG 3.62Å; W271-Q373 HydrophobicContact CZ2-CB 3.84Å; W271-Q373 HydrophobicContact CZ2-CG 3.67Å; V369-Q373 HydrophobicContact CG1-CG 4.28Å; A371-Q373 PolarHBondContact O-NE2 2.91Å | ||
| 374 | N | 97.6 | Very high | 97.8 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.08 | 19% | 0.193 | C | C | . | . | trans | -85.6 | 126.3 | 174.8 | -170.8 | -4.6 | 0 | 0 | 0 | 111.8 | H220 E223 F266 D376 I377 T378 | H220-N374 PolarHBondContact O-ND2 2.86Å; E223-N374 VanDerWaalsContact OE1-CB 3.3Å; E223-N374 WeakPolarHBondContact OE1-CB 3.37Å; E223-N374 PolarHBondContact OE1-N 3.03Å; F266-N374 HydrophobicContact CE1-CB 4.47Å; F266-N374 HydrophobicContact CE2-CB 4.13Å; F266-N374 HydrophobicContact CZ-CB 3.83Å; N374-D376 VanDerWaalsContact C-N 3.34Å; N374-D376 WeakPolarHBondContact OD1-CB 3.34Å; N374-D376 PolarHBondContact OD1-N 3.02Å; N374-I377 HydrophobicContact CB-CB 4.2Å; N374-I377 HydrophobicContact CB-CG1 3.93Å; N374-I377 PolarHBondContact O-N 3.25Å; N374-T378 PolarHBondContact O-N 3.39Å; N374-T378 VanDerWaalsContact O-N 3.16Å; N374-T378 PolarHBondContact O-OG1 2.89Å; N374-T378 VanDerWaalsContact O-OG1 3.11Å | ||
| 375 | T | 96.4 | Very high | 97.8 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.9 | -35.4 | 173.4 | 42.1 | 0 | 0 | 0 | 0 | 112.6 | I377 T378 Q379 | T375-I377 VanDerWaalsContact C-N 3.32Å; T375-I377 PolarHBondContact O-N 3.35Å; T375-T378 WeakPolarHBondContact O-CA 2.99Å; T375-T378 WeakPolarHBondContact O-CB 3.5Å; T375-T378 PolarHBondContact O-N 3.38Å; T375-T378 VanDerWaalsContact O-N 3.12Å; T375-Q379 PolarHBondContact O-N 3.1Å |
| 376 | D | 97.1 | Very high | 97.6 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.8 | -52.3 | -16 | 0 | 0 | 0 | 111 | H220 N374 T378 Q379 L380 | H220-D376 HydrophobicContact CB-CB 4.24Å; H220-D376 IonicContact CE1-OD2 3.49Å; H220-D376 PolarHBondContact CE1-OD2 3.12Å; H220-D376 IonicContact CG-OD2 2.83Å; H220-D376 VanDerWaalsContact ND1-CB 3.3Å; H220-D376 WeakPolarHBondContact ND1-CB 3.47Å; H220-D376 IonicContact ND1-OD2 2.78Å; H220-D376 PolarHBondContact ND1-OD2 3.4Å; N374-D376 VanDerWaalsContact C-N 3.34Å; N374-D376 WeakPolarHBondContact OD1-CB 3.34Å; N374-D376 PolarHBondContact OD1-N 3.02Å; D376-T378 VanDerWaalsContact C-N 3.33Å; D376-Q379 PolarHBondContact O-N 2.93Å; D376-L380 WeakPolarHBondContact O-CG 3.24Å; D376-L380 PolarHBondContact O-N 3.16Å |
| 377 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 174.8 | -67.6 | -69.6 | 0 | 0 | 0 | 108.8 | F217 H220 E223 Y372 N374 T375 Q379 L380 K381 | F217-I377 HydrophobicContact CD1-CD1 3.95Å; H220-I377 HydrophobicContact CB-CD1 3.66Å; H220-I377 HydrophobicContact CB-CG1 4.02Å; E223-I377 HydrophobicContact CB-CG2 4.02Å; E223-I377 HydrophobicContact CG-CG1 4.32Å; E223-I377 HydrophobicContact CG-CG2 4.26Å; Y372-I377 HydrophobicContact CD1-CG2 4.12Å; Y372-I377 HydrophobicContact CE1-CG2 4.3Å; N374-I377 HydrophobicContact CB-CB 4.2Å; N374-I377 HydrophobicContact CB-CG1 3.93Å; N374-I377 PolarHBondContact O-N 3.25Å; T375-I377 VanDerWaalsContact C-N 3.32Å; T375-I377 PolarHBondContact O-N 3.35Å; I377-Q379 VanDerWaalsContact C-N 3.31Å; I377-Q379 PolarHBondContact O-N 2.94Å; I377-L380 PolarHBondContact O-N 3.19Å; I377-K381 HydrophobicContact CG2-CG 4.38Å; I377-K381 VanDerWaalsContact O-CG 3.24Å; I377-K381 WeakPolarHBondContact O-CG 3.36Å; I377-K381 PolarHBondContact O-N 3.43Å |
| 378 | T | 97.1 | Very high | 97.2 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.3 | -43.9 | 178.5 | -56.1 | 0 | 0 | 0 | 0 | 112 | Y372 N374 T375 D376 K381 I382 Y395 | Y372-T378 VanDerWaalsContact CB-OG1 3.24Å; Y372-T378 WeakPolarHBondContact CB-OG1 3.24Å; Y372-T378 HydrophobicContact CD2-CG2 4.28Å; N374-T378 PolarHBondContact O-N 3.39Å; N374-T378 VanDerWaalsContact O-N 3.16Å; N374-T378 PolarHBondContact O-OG1 2.89Å; N374-T378 VanDerWaalsContact O-OG1 3.11Å; T375-T378 WeakPolarHBondContact O-CA 2.99Å; T375-T378 WeakPolarHBondContact O-CB 3.5Å; T375-T378 PolarHBondContact O-N 3.38Å; T375-T378 VanDerWaalsContact O-N 3.12Å; D376-T378 VanDerWaalsContact C-N 3.33Å; T378-K381 WeakPolarHBondContact O-CB 3.29Å; T378-K381 PolarHBondContact O-N 3.24Å; T378-I382 HydrophobicContact CG2-CD1 4.16Å; T378-I382 WeakPolarHBondContact O-CG1 3.37Å; T378-I382 PolarHBondContact O-N 2.92Å; T378-I382 VanDerWaalsContact O-N 3.11Å; T378-Y395 HydrophobicContact CG2-CE2 3.86Å |
| 379 | Q | 96.2 | Very high | 96.8 | Very high | 55 Ų | 55 | 55 Ų | 55 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.2 | -52 | 173.1 | -81.5 | -69.9 | -77.8 | 0 | 0 | 112.6 | T375 D376 I377 K381 I382 D383 Y395 | T375-Q379 PolarHBondContact O-N 3.1Å; D376-Q379 PolarHBondContact O-N 2.93Å; I377-Q379 VanDerWaalsContact C-N 3.31Å; I377-Q379 PolarHBondContact O-N 2.94Å; Q379-K381 PolarHBondContact O-N 3.49Å; Q379-K381 VanDerWaalsContact O-N 3.1Å; Q379-I382 WeakPolarHBondContact O-CA 3.49Å; Q379-I382 PolarHBondContact O-N 3.35Å; Q379-D383 PolarHBondContact O-N 3.11Å; Q379-Y395 HydrophobicContact CG-CD1 4.21Å; Q379-Y395 HydrophobicContact CG-CE1 3.78Å; Q379-Y395 VanDerWaalsContact NE2-CE1 3.34Å |
| 380 | L | 97.7 | Very high | 96.5 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.7 | -33.6 | 176.6 | -71.8 | 172.9 | 0 | 0 | 0 | 112.5 | K216 F217 D376 I377 H384 | K216-L380 HydrophobicContact CB-CD2 4.5Å; K216-L380 HydrophobicContact CD-CD2 4.42Å; F217-L380 HydrophobicContact CD1-CB 4.01Å; F217-L380 HydrophobicContact CD1-CD1 4.21Å; F217-L380 HydrophobicContact CE1-CB 3.4Å; F217-L380 HydrophobicContact CE1-CD1 4.44Å; F217-L380 HydrophobicContact CE2-CB 4.36Å; F217-L380 VanDerWaalsContact CZ-C 3.48Å; F217-L380 HydrophobicContact CZ-CB 3.62Å; F217-L380 WeakPolarHBondContact CZ-O 3.24Å; D376-L380 WeakPolarHBondContact O-CG 3.24Å; D376-L380 PolarHBondContact O-N 3.16Å; I377-L380 PolarHBondContact O-N 3.19Å; L380-H384 WeakPolarHBondContact O-CB 3.44Å; L380-H384 PolarHBondContact O-N 3.32Å; L380-H384 PolarHBondContact O-ND1 3.29Å |
| 381 | K | 98 | Very high | 96.1 | Very high | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.03 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 172.4 | -57.1 | -73.3 | 176.6 | 167.2 | 0 | 111.3 | F217 E223 F234 Y372 I377 T378 Q379 N385 | F217-K381 HydrophobicContact CE1-CD 3.68Å; F217-K381 HydrophobicContact CE1-CG 4.07Å; F217-K381 HydrophobicContact CZ-CD 3.98Å; F217-K381 HydrophobicContact CZ-CG 4.47Å; E223-K381 WeakPolarHBondContact O-CE 3.45Å; E223-K381 PolarHBondContact O-NZ 2.98Å; F234-K381 HydrophobicContact CD1-CD 3.95Å; F234-K381 PolarHBondContact O-NZ 2.9Å; Y372-K381 HydrophobicContact CE1-CD 4.3Å; Y372-K381 HydrophobicContact CE1-CG 4.21Å; Y372-K381 HydrophobicContact CE2-CG 4.06Å; Y372-K381 WeakPolarHBondContact OH-CD 3.4Å; Y372-K381 WeakPolarHBondContact OH-CE 3.3Å; Y372-K381 WeakPolarHBondContact OH-CG 3.45Å; I377-K381 HydrophobicContact CG2-CG 4.38Å; I377-K381 VanDerWaalsContact O-CG 3.24Å; I377-K381 WeakPolarHBondContact O-CG 3.36Å; I377-K381 PolarHBondContact O-N 3.43Å; T378-K381 WeakPolarHBondContact O-CB 3.29Å; T378-K381 PolarHBondContact O-N 3.24Å; Q379-K381 PolarHBondContact O-N 3.49Å; Q379-K381 VanDerWaalsContact O-N 3.1Å; K381-N385 WeakPolarHBondContact O-CA 3.44Å; K381-N385 WeakPolarHBondContact O-CB 3.48Å; K381-N385 PolarHBondContact O-N 2.78Å |
| 382 | I | 96.8 | Very high | 95.8 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | -177.8 | -71.5 | 167.4 | 0 | 0 | 0 | 111 | T378 Q379 A388 F391 R392 Y395 | T378-I382 HydrophobicContact CG2-CD1 4.16Å; T378-I382 WeakPolarHBondContact O-CG1 3.37Å; T378-I382 PolarHBondContact O-N 2.92Å; T378-I382 VanDerWaalsContact O-N 3.11Å; Q379-I382 WeakPolarHBondContact O-CA 3.49Å; Q379-I382 PolarHBondContact O-N 3.35Å; I382-A388 HydrophobicContact CG1-CB 4.42Å; I382-F391 HydrophobicContact CD1-CB 3.91Å; I382-F391 HydrophobicContact CG1-CB 4.03Å; I382-F391 HydrophobicContact CG2-CB 4.03Å; I382-R392 HydrophobicContact CG2-CB 4.29Å; I382-R392 HydrophobicContact CG2-CG 3.52Å; I382-R392 VanDerWaalsContact O-CZ 3.26Å; I382-R392 PolarHBondContact O-NE 3.14Å; I382-R392 PolarHBondContact O-NH2 3.07Å; I382-Y395 HydrophobicContact CD1-CD2 3.35Å; I382-Y395 HydrophobicContact CD1-CE2 3.71Å; I382-Y395 HydrophobicContact CD1-CG 4.25Å |
| 383 | D | 96.6 | Very high | 94.9 | Very high | 75 Ų | 75 | 65 Ų | 65 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | -179.5 | -68.9 | -19.2 | 0 | 0 | 0 | 114.3 | Q379 R392 | Q379-D383 PolarHBondContact O-N 3.11Å; D383-R392 PolarHBondContact O-NH1 3.12Å; D383-R392 PolarHBondContact O-NH2 3.1Å |
| 384 | H | 97 | Very high | 93.7 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -105.3 | -22 | -169.7 | -58.5 | 83.9 | 0 | 0 | 0 | 113.3 | L213 K216 F234 L380 P386 | L213-H384 HydrophobicContact CD1-CB 3.99Å; L213-H384 WeakPolarHBondContact CD1-CD2 3.4Å; L213-H384 HydrophobicContact CD2-CB 4.43Å; K216-H384 PolarHBondContact NZ-NE2 3.03Å; F234-H384 HydrophobicContact CE1-CB 3.91Å; F234-H384 HydrophobicContact CZ-CB 3.86Å; F234-H384 VanDerWaalsContact CZ-O 3.29Å; F234-H384 WeakPolarHBondContact CZ-O 3.33Å; L380-H384 WeakPolarHBondContact O-CB 3.44Å; L380-H384 PolarHBondContact O-N 3.32Å; L380-H384 PolarHBondContact O-ND1 3.29Å; H384-P386 WeakPolarHBondContact O-CD 3.41Å |
| 385 | N | 97 | Very high | 92.3 | Very high | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | trans | -88.1 | 119.5 | 179.4 | -170 | -14.9 | 0 | 0 | 0 | 111.2 | F234 K381 F387 A388 R392 | F234-N385 HydrophobicContact CD1-CB 3.96Å; F234-N385 HydrophobicContact CD2-CB 3.91Å; F234-N385 HydrophobicContact CE1-CB 3.86Å; F234-N385 HydrophobicContact CE2-CB 3.8Å; F234-N385 HydrophobicContact CG-CB 4Å; F234-N385 HydrophobicContact CZ-CB 3.8Å; K381-N385 WeakPolarHBondContact O-CA 3.44Å; K381-N385 WeakPolarHBondContact O-CB 3.48Å; K381-N385 PolarHBondContact O-N 2.78Å; N385-F387 PolarHBondContact O-N 3.2Å; N385-F387 WeakPolarHBondContact OD1-CB 3.5Å; N385-F387 WeakPolarHBondContact OD1-CD2 3.5Å; N385-F387 PolarHBondContact OD1-N 3.24Å; N385-A388 HydrophobicContact CB-CB 4.1Å; N385-A388 PolarHBondContact O-N 2.91Å; N385-R392 PolarHBondContact O-NH2 3.41Å | ||
| 386 | P | 95.8 | Very high | 91 | Very high | 97 Ų | 97 | 66.5 Ų | 66.5 | 63% | 0.63 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -57.6 | -34.9 | 176.6 | -25.4 | 35.6 | 0 | 0 | 0 | 113.2 | H384 A388 K389 | H384-P386 WeakPolarHBondContact O-CD 3.41Å; P386-A388 PolarHBondContact O-N 3.11Å; P386-K389 WeakPolarHBondContact O-CB 3.5Å; P386-K389 PolarHBondContact O-N 2.94Å |
| 387 | F | 94.3 | Very high | 89.8 | Confident | 179 Ų | 179 | 68 Ų | 68 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -73.8 | -2.6 | 179.3 | -57.2 | -72.4 | 0 | 0 | 0 | 114 | N385 | N385-F387 PolarHBondContact O-N 3.2Å; N385-F387 WeakPolarHBondContact OD1-CB 3.5Å; N385-F387 WeakPolarHBondContact OD1-CD2 3.5Å; N385-F387 PolarHBondContact OD1-N 3.24Å |
| 388 | A | 94.1 | Very high | 88.4 | Confident | 15 Ų | 15 | 73 Ų | 73 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -112.9 | 6.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | I382 N385 P386 G390 F391 | I382-A388 HydrophobicContact CG1-CB 4.42Å; N385-A388 HydrophobicContact CB-CB 4.1Å; N385-A388 PolarHBondContact O-N 2.91Å; P386-A388 PolarHBondContact O-N 3.11Å; A388-G390 VanDerWaalsContact C-N 3.25Å; A388-G390 PolarHBondContact O-N 2.91Å; A388-G390 VanDerWaalsContact O-N 3.14Å; A388-F391 PolarHBondContact O-N 2.73Å; A388-F391 VanDerWaalsContact O-N 3.1Å |
| 389 | K | 91.4 | Very high | 86.9 | Confident | 134 Ų | 134 | 79 Ų | 79 | 58% | 0.583 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -52.5 | -39.9 | -174.4 | -172.2 | -173.6 | 174.3 | -171.8 | 0 | 113.5 | P386 F391 R392 | P386-K389 WeakPolarHBondContact O-CB 3.5Å; P386-K389 PolarHBondContact O-N 2.94Å; K389-F391 PolarHBondContact O-N 2.96Å; K389-R392 WeakPolarHBondContact O-CB 3.47Å; K389-R392 WeakPolarHBondContact O-CG 3.39Å; K389-R392 PolarHBondContact O-N 3.1Å; K389-R392 VanDerWaalsContact O-N 3.07Å |
| 390 | G | 92.2 | Very high | 85.4 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 69% | 0.691 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -65.6 | -2.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | A388 | A388-G390 VanDerWaalsContact C-N 3.25Å; A388-G390 PolarHBondContact O-N 2.91Å; A388-G390 VanDerWaalsContact O-N 3.14Å |
| 391 | F | 90.2 | Very high | 83.4 | Confident | 124 Ų | 124 | 81.5 Ų | 81.5 | 54% | 0.544 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -101.2 | -8.1 | 173 | -63.1 | -75 | 0 | 0 | 0 | 113.7 | I382 A388 K389 N394 Y395 | I382-F391 HydrophobicContact CD1-CB 3.91Å; I382-F391 HydrophobicContact CG1-CB 4.03Å; I382-F391 HydrophobicContact CG2-CB 4.03Å; A388-F391 PolarHBondContact O-N 2.73Å; A388-F391 VanDerWaalsContact O-N 3.1Å; K389-F391 PolarHBondContact O-N 2.96Å; F391-N394 PolarHBondContact O-N 3.2Å; F391-Y395 WeakPolarHBondContact O-CB 3.43Å; F391-Y395 PolarHBondContact O-N 2.84Å; F391-Y395 VanDerWaalsContact O-N 3.1Å |
| 392 | R | 90.5 | Very high | 81.3 | Confident | 90 Ų | 90 | 86.3 Ų | 86.3 | 34% | 0.34 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -63.7 | -51.5 | -174.8 | -70 | 172.7 | -167.3 | -157.9 | 2 | 112 | I382 D383 N385 K389 N394 | I382-R392 HydrophobicContact CG2-CB 4.29Å; I382-R392 HydrophobicContact CG2-CG 3.52Å; I382-R392 VanDerWaalsContact O-CZ 3.26Å; I382-R392 PolarHBondContact O-NE 3.14Å; I382-R392 PolarHBondContact O-NH2 3.07Å; D383-R392 PolarHBondContact O-NH1 3.12Å; D383-R392 PolarHBondContact O-NH2 3.1Å; N385-R392 PolarHBondContact O-NH2 3.41Å; K389-R392 WeakPolarHBondContact O-CB 3.47Å; K389-R392 WeakPolarHBondContact O-CG 3.39Å; K389-R392 PolarHBondContact O-N 3.1Å; K389-R392 VanDerWaalsContact O-N 3.07Å; R392-N394 PolarHBondContact O-N 3.02Å; R392-N394 VanDerWaalsContact O-N 3.12Å |
| 393 | D | 80.4 | Confident | 79.2 | Confident | 139 Ų | 139 | 92 Ų | 92 | 74% | 0.743 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -75.5 | -1.6 | -172.5 | -44 | -53.8 | 0 | 0 | 0 | 112.9 | ||
| 394 | N | 72.3 | Confident | 77.2 | Confident | 85 Ų | 85 | 94.8 Ų | 94.8 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -132 | -8 | -170.8 | -98.8 | 114.2 | 0 | 0 | 0 | 115.2 | F391 R392 D396 T397 I398 | F391-N394 PolarHBondContact O-N 3.2Å; R392-N394 PolarHBondContact O-N 3.02Å; R392-N394 VanDerWaalsContact O-N 3.12Å; N394-D396 PolarHBondContact O-N 3.5Å; N394-T397 PolarHBondContact O-N 3.49Å; N394-I398 HydrophobicContact CB-CD1 4.13Å; N394-I398 WeakPolarHBondContact O-CD1 3.31Å; N394-I398 VanDerWaalsContact O-CG1 3.31Å; N394-I398 WeakPolarHBondContact O-CG1 3.5Å; N394-I398 PolarHBondContact O-N 3.16Å |
| 395 | Y | 69.8 | Low | 75.1 | Confident | 22 Ų | 22 | 99.5 Ų | 99.5 | 9% | 0.086 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | -170.4 | -175.1 | -91.5 | 0 | 0 | 0 | 112.8 | T378 Q379 I382 F391 T397 I398 Y399 | T378-Y395 HydrophobicContact CG2-CE2 3.86Å; Q379-Y395 HydrophobicContact CG-CD1 4.21Å; Q379-Y395 HydrophobicContact CG-CE1 3.78Å; Q379-Y395 VanDerWaalsContact NE2-CE1 3.34Å; I382-Y395 HydrophobicContact CD1-CD2 3.35Å; I382-Y395 HydrophobicContact CD1-CE2 3.71Å; I382-Y395 HydrophobicContact CD1-CG 4.25Å; F391-Y395 WeakPolarHBondContact O-CB 3.43Å; F391-Y395 PolarHBondContact O-N 2.84Å; F391-Y395 VanDerWaalsContact O-N 3.1Å; Y395-T397 PolarHBondContact O-N 2.79Å; Y395-I398 PolarHBondContact O-N 2.98Å; Y395-I398 VanDerWaalsContact O-N 3.07Å; Y395-Y399 HydrophobicContact CD1-CD2 4.24Å; Y395-Y399 AromaticContact CD2-CD2 3.65Å; Y395-Y399 HydrophobicContact CD2-CD2 3.65Å; Y395-Y399 AromaticContact CD2-CE2 3.91Å; Y395-Y399 HydrophobicContact CD2-CE2 3.91Å; Y395-Y399 HydrophobicContact CE1-CD2 4.05Å; Y395-Y399 HydrophobicContact CE1-CG 4.3Å; Y395-Y399 AromaticContact CE2-CD2 3.44Å; Y395-Y399 HydrophobicContact CE2-CD2 3.44Å; Y395-Y399 VanDerWaalsContact CE2-CD2 3.44Å; Y395-Y399 AromaticContact CE2-CE2 3.6Å; Y395-Y399 HydrophobicContact CE2-CE2 3.6Å; Y395-Y399 HydrophobicContact CE2-CG 4.28Å; Y395-Y399 HydrophobicContact CG-CD2 4.08Å; Y395-Y399 AromaticContact CZ-CD2 3.67Å; Y395-Y399 PolarHBondContact O-N 3.07Å |
| 396 | D | 68.7 | Low | 72.7 | Confident | 97 Ų | 97 | 108.3 Ų | 108.3 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.5 | -46.7 | -179.9 | -61.9 | -35 | 0 | 0 | 0 | 110.6 | N394 I398 Y399 T400 G401 | N394-D396 PolarHBondContact O-N 3.5Å; D396-I398 PolarHBondContact O-N 3.07Å; D396-I398 VanDerWaalsContact O-N 3.07Å; D396-Y399 PolarHBondContact O-N 3.21Å; D396-Y399 VanDerWaalsContact O-N 3.16Å; D396-T400 PolarHBondContact O-N 3.45Å; D396-T400 PolarHBondContact O-OG1 2.83Å; D396-G401 PolarHBondContact O-N 3.4Å |
| 397 | T | 72.2 | Confident | 70.6 | Confident | 102 Ų | 102 | 110.1 Ų | 110.1 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -54.8 | -31.9 | 175.6 | -38.9 | 0 | 0 | 0 | 0 | 113.2 | N394 Y395 | N394-T397 PolarHBondContact O-N 3.49Å; Y395-T397 PolarHBondContact O-N 2.79Å |
| 398 | I | 67.6 | Low | 68.4 | Low | 104 Ų | 104 | 106.9 Ų | 106.9 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -86.6 | -32.3 | -178 | -65.6 | 167.4 | 0 | 0 | 0 | 112.4 | N394 Y395 D396 | N394-I398 HydrophobicContact CB-CD1 4.13Å; N394-I398 WeakPolarHBondContact O-CD1 3.31Å; N394-I398 VanDerWaalsContact O-CG1 3.31Å; N394-I398 WeakPolarHBondContact O-CG1 3.5Å; N394-I398 PolarHBondContact O-N 3.16Å; Y395-I398 PolarHBondContact O-N 2.98Å; Y395-I398 VanDerWaalsContact O-N 3.07Å; D396-I398 PolarHBondContact O-N 3.07Å; D396-I398 VanDerWaalsContact O-N 3.07Å |
| 399 | Y | 65.3 | Low | 66.2 | Low | 151 Ų | 151 | 111.8 Ų | 111.8 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -115.8 | -20.4 | -170.9 | -73.5 | -79.3 | 0 | 0 | 0 | 116 | Y395 D396 | Y395-Y399 HydrophobicContact CD1-CD2 4.24Å; Y395-Y399 AromaticContact CD2-CD2 3.65Å; Y395-Y399 HydrophobicContact CD2-CD2 3.65Å; Y395-Y399 AromaticContact CD2-CE2 3.91Å; Y395-Y399 HydrophobicContact CD2-CE2 3.91Å; Y395-Y399 HydrophobicContact CE1-CD2 4.05Å; Y395-Y399 HydrophobicContact CE1-CG 4.3Å; Y395-Y399 AromaticContact CE2-CD2 3.44Å; Y395-Y399 HydrophobicContact CE2-CD2 3.44Å; Y395-Y399 VanDerWaalsContact CE2-CD2 3.44Å; Y395-Y399 AromaticContact CE2-CE2 3.6Å; Y395-Y399 HydrophobicContact CE2-CE2 3.6Å; Y395-Y399 HydrophobicContact CE2-CG 4.28Å; Y395-Y399 HydrophobicContact CG-CD2 4.08Å; Y395-Y399 AromaticContact CZ-CD2 3.67Å; Y395-Y399 PolarHBondContact O-N 3.07Å; D396-Y399 PolarHBondContact O-N 3.21Å; D396-Y399 VanDerWaalsContact O-N 3.16Å |
| 400 | T | 66.2 | Low | 64.1 | Low | 90 Ų | 90 | 110.3 Ų | 110.3 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -5.6 | 175.6 | 67.7 | 0 | 0 | 0 | 0 | 113.1 | D396 C402 | D396-T400 PolarHBondContact O-N 3.45Å; D396-T400 PolarHBondContact O-OG1 2.83Å; T400-C402 PolarHBondContact O-N 2.88Å |
| 401 | G | 55.1 | Low | 62.1 | Low | 42 Ų | 42 | 113.1 Ų | 113.1 | 43% | 0.433 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | 21.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | D396 | D396-G401 PolarHBondContact O-N 3.4Š|
| 402 | C | 54.7 | Low | 59.9 | Low | 108 Ų | 108 | 114.2 Ų | 114.2 | 73% | 0.73 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -12.3 | 176.2 | -70.7 | 0 | 0 | 0 | 0 | 114.4 | T400 | T400-C402 PolarHBondContact O-N 2.88Š|
| 403 | D | 51.9 | Low | 57.4 | Low | 133 Ų | 133 | 117.9 Ų | 117.9 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -115.8 | -2.1 | -172 | -79.1 | -67.3 | 0 | 0 | 0 | 115.6 | ||
| 404 | M | 55 | Low | 55.8 | Low | 134 Ų | 134 | 116.6 Ų | 116.6 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -86.4 | -47 | 177.4 | -109 | -69.6 | 118.2 | 0 | 0 | 113.5 | R406 L407 | M404-R406 PolarHBondContact O-N 2.94Å; M404-L407 HydrophobicContact CE-CD1 4.13Å; M404-L407 PolarHBondContact O-N 3.47Å |
| 405 | D | 53.3 | Low | 54.4 | Low | 154 Ų | 154 | 118.5 Ų | 118.5 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 14.8 | -173.8 | -65.2 | -57.2 | 0 | 0 | 0 | 115 | ||
| 406 | R | 46.2 | Very low | 52.8 | Low | 207 Ų | 207 | 128.9 Ų | 128.9 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -1.2 | 173 | -97.4 | -178.8 | 172.4 | 161.2 | -0.5 | 114.9 | M404 T408 | M404-R406 PolarHBondContact O-N 2.94Å; R406-T408 PolarHBondContact O-N 3.38Å |
| 407 | L | 52.1 | Low | 51.8 | Low | 135 Ų | 135 | 130.1 Ų | 130.1 | 71% | 0.707 | 72% | 0.723 | S | S | * | * | trans | -75.9 | 71.6 | 163.3 | -64.5 | -178.6 | 0 | 0 | 0 | 110.2 | M404 P409 | M404-L407 HydrophobicContact CE-CD1 4.13Å; M404-L407 PolarHBondContact O-N 3.47Å; L407-P409 VanDerWaalsContact O-CD 3.3Å; L407-P409 WeakPolarHBondContact O-CD 3.3Å | ||
| 408 | T | 48.3 | Very low | 50.5 | Low | 112 Ų | 112 | 133.9 Ų | 133.9 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | trans | -57.6 | 118 | 166.8 | 49.2 | 0 | 0 | 0 | 0 | 108.7 | R406 S410 | R406-T408 PolarHBondContact O-N 3.38Å; T408-S410 PolarHBondContact O-N 3.46Å | ||
| 409 | P | 47.8 | Very low | 49.4 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -69.9 | 106.4 | 177.4 | 27.9 | -32.5 | 0 | 0 | 0 | 108.4 | L407 P411 | L407-P409 VanDerWaalsContact O-CD 3.3Å; L407-P409 WeakPolarHBondContact O-CD 3.3Å; P409-P411 WeakPolarHBondContact O-CD 3.21Å | ||
| 410 | S | 45.6 | Very low | 48.7 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -52.8 | 111.5 | -178.1 | -64.9 | 0 | 0 | 0 | 0 | 111 | T408 N412 | T408-S410 PolarHBondContact O-N 3.46Å; S410-N412 PolarHBondContact O-N 2.93Å | ||
| 411 | P | 50 | Low | 47.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -85.4 | 59.8 | -172.6 | 35.1 | -35 | 0 | 0 | 0 | 110.8 | P409 | P409-P411 WeakPolarHBondContact O-CD 3.21Š|
| 412 | N | 44.9 | Very low | 46.9 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -164.7 | 79.4 | 173.6 | -112.2 | -13.5 | 0 | 0 | 0 | 112.3 | S410 | S410-N412 PolarHBondContact O-N 2.93Š| ||
| 413 | D | 39 | Very low | 46.4 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -149.7 | 64.1 | 160.1 | -115.1 | -37.2 | 0 | 0 | 0 | 110.4 | ||||
| 414 | S | 45.1 | Very low | 46.1 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -84.5 | 122 | 173.7 | -73.4 | 0 | 0 | 0 | 0 | 110.2 | R416 | S414-R416 PolarHBondContact O-N 3.01Š| ||
| 415 | P | 43.3 | Very low | 45.5 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -75 | 125 | -173.4 | 28.4 | -34.4 | 0 | 0 | 0 | 112.9 | ||||
| 416 | R | 36.1 | Very low | 45 | Very low | 240 Ų | 240 | 140.2 Ų | 140.2 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | 57.6 | 73.6 | 138.9 | -167.5 | -167.9 | 178 | 91.4 | -3 | 116.5 | S414 | S414-R416 PolarHBondContact O-N 3.01Š| ||
| 417 | S | 48 | Very low | 44.8 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -105.4 | 157.2 | 153 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 418 | Q | 45.3 | Very low | 44.3 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -99.8 | 129.8 | -157.1 | -66.6 | 161.9 | -76.5 | 0 | 0 | 114.9 | ||||
| 419 | I | 44.2 | Very low | 43.9 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | trans | 26.4 | 104.5 | 133.7 | -47.9 | 167.7 | 0 | 0 | 0 | 117.1 | ||||
| 420 | V | 50.9 | Low | 43.5 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | -152.3 | 124.1 | 123.1 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 421 | P | 40.8 | Very low | 43.1 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -103.1 | 147.7 | 172.7 | 36.4 | -30.6 | 0 | 0 | 0 | 113 | ||||
| 422 | G | 43.5 | Very low | 42.8 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -173.9 | 98 | 175.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 423 | A | 43.5 | Very low | 42.5 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | 65.2 | 150.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 424 | R | 45.9 | Very low | 42.4 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 73% | 0.725 | 80% | 0.795 | S | S | * | * | cis | -165 | 158.4 | -19.1 | -113.7 | -167.2 | -78.6 | -177.1 | -10.1 | 109.8 | ||||
| 425 | Y | 42.4 | Very low | 42.1 | Very low | 195 Ų | 195 | 143 Ų | 143 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | 67.1 | 149.5 | 168.8 | -55 | -65.7 | 0 | 0 | 0 | 117.2 | ||||
| 426 | A | 42.7 | Very low | 41.9 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | cis | -162.9 | 163.5 | -23.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 427 | M | 42.1 | Very low | 42.1 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | trans | -21.2 | 156.9 | 156.9 | -59.8 | -59.2 | -160.6 | 0 | 0 | 118.2 | ||||
| 428 | A | 41 | Very low | 41.5 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | cis | -177.9 | 172.4 | -15.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 429 | G | 39.9 | Very low | 41.1 | Very low | 79 Ų | 79 | 135.5 Ų | 135.5 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | 127.6 | 114.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 430 | S | 38.3 | Very low | 40.8 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -75.1 | 158.3 | 167.5 | -45.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 431 | F | 38.5 | Very low | 40.2 | Very low | 201 Ų | 201 | 135.6 Ų | 135.6 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | -167.9 | 165.9 | 107.5 | -117.2 | -89.3 | 0 | 0 | 0 | 112.3 | |||||
| 432 | L | 43.4 | Very low | 40.1 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -81.5 | 150.3 | -179.5 | -65.5 | 156.4 | 0 | 0 | 0 | 112.1 | ||||
| 433 | Q | 38.3 | Very low | 39.8 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | -162 | 141.8 | 124 | -163.7 | 55.1 | 45 | 0 | 0 | 111.1 | |||||
| 434 | D | 36.6 | Very low | 39.4 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | trans | -91.3 | 136.5 | 172.8 | 162.2 | 35.5 | 0 | 0 | 0 | 111 | ||||
| 435 | Q | 39.3 | Very low | 39.1 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -167.3 | 112 | 141.1 | -109.7 | 170.7 | 6.7 | 0 | 0 | 116.4 | ||||
| 436 | F | 39 | Very low | 38.9 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | 57.4 | 145.9 | 122.4 | -84.2 | -103.8 | 0 | 0 | 0 | 125 | |||||
| 437 | V | 40.4 | Very low | 39.1 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 75.8 | 87.6 | 161.1 | -159.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 438 | S | 36.2 | Very low | 38.9 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | 52.6 | 129.1 | 109.3 | -146.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 439 | N | 35.8 | Very low | 38.9 | Very low | 119 Ų | 119 | 143 Ų | 143 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | 82.1 | 153.7 | 144 | -73.2 | -14.9 | 0 | 0 | 0 | 123.6 | ||||
| 440 | Y | 38.5 | Very low | 38.8 | Very low | 210 Ų | 210 | 142.7 Ų | 142.7 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 68.3 | 108.4 | 169.5 | -44.2 | -66.7 | 0 | 0 | 0 | 116.2 | ||||
| 441 | A | 37.8 | Very low | 39 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | 97.2 | 119.9 | 25.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 442 | K | 38.2 | Very low | 39.1 | Very low | 212 Ų | 212 | 136.7 Ų | 136.7 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | trans | 67.7 | 146.7 | 171.6 | -57.1 | 176 | 177.8 | 172.9 | 0 | 114.6 | ||||
| 443 | A | 38.9 | Very low | 39.1 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 62% | 0.62 | 78% | 0.784 | S | S | * | * | cis | -164.3 | 162.9 | 6.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 444 | R | 35.2 | Very low | 39 | Very low | 222 Ų | 222 | 131 Ų | 131 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | 61.1 | 143.6 | 152.5 | -61 | 170.4 | -167.7 | 168.1 | 3.6 | 116.4 | ||||
| 445 | F | 39.1 | Very low | 39.5 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | -144.8 | 170.3 | 51.3 | -93 | -93.8 | 0 | 0 | 0 | 114.6 | |||||
| 446 | H | 37.3 | Very low | 39.5 | Very low | 174 Ų | 174 | 126.8 Ų | 126.8 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -125.3 | -178.6 | 179.3 | -81.3 | -69.8 | 0 | 0 | 0 | 108.5 | ||||
| 447 | P | 47.8 | Very low | 39.7 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | cis | -138.3 | -173.8 | -47.1 | 40 | -24.2 | 0 | 0 | 0 | 112.6 | ||||
| 448 | G | 37.6 | Very low | 39.5 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 151.4 | 167.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 449 | A | 41 | Very low | 39.6 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | cis | -174.6 | 140 | -27.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 450 | G | 38.4 | Very low | 39.7 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 128.7 | 111.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 451 | A | 41.4 | Very low | 39.7 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 93% | 0.934 | 80% | 0.8 | S | S | * | * | 70.6 | 128.1 | 67.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 452 | G | 41.4 | Very low | 40 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | -145.3 | -162.9 | 15.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 453 | P | 43.9 | Very low | 39.9 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | trans | -122.5 | 175.2 | -151.9 | 43.1 | -33.5 | 0 | 0 | 0 | 116.3 | ||||
| 454 | G | 35.9 | Very low | 39.6 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 157.6 | 130.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 455 | P | 45.9 | Very low | 39.6 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | trans | -124.5 | 170.8 | -178.1 | 41.9 | -30 | 0 | 0 | 0 | 115.9 | ||||
| 456 | G | 39.7 | Very low | 39.6 | Very low | 57 Ų | 57 | 118.9 Ų | 118.9 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | trans | 177.9 | 125.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 457 | T | 43.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 118 Ų | 118 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | 64.1 | 126.7 | 74.2 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 458 | D | 37.3 | Very low | 39.6 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | cis | -169.5 | 180 | -3.4 | -137.8 | -57.2 | 0 | 0 | 0 | 112.2 | ||||
| 459 | R | 37.1 | Very low | 39.6 | Very low | 221 Ų | 221 | 120.4 Ų | 120.4 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 75.3 | 128.1 | 146.4 | -103.7 | 178.9 | 173.2 | 134.4 | -1.9 | 124.9 | ||||
| 460 | S | 37.4 | Very low | 40.1 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 75.5 | 109.6 | 134.4 | 53.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 461 | V | 39.1 | Very low | 40.1 | Very low | 138 Ų | 138 | 124 Ų | 124 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -66.5 | 178.6 | 140.6 | -107.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 462 | P | 45.2 | Very low | 40.1 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -139.9 | -172.5 | 2.5 | 37.1 | -15.3 | 0 | 0 | 0 | 117.4 | ||||
| 463 | H | 34.5 | Very low | 40.5 | Very low | 168 Ų | 168 | 125.6 Ų | 125.6 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | trans | 90.5 | 129.9 | 134.9 | -82.8 | -15.7 | 0 | 0 | 0 | 125.2 | ||||
| 464 | T | 33.3 | Very low | 40.6 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | trans | 79.5 | 123 | 134.9 | 53 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 465 | N | 35.1 | Very low | 40.9 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | 75.7 | 122.3 | 130.4 | -64 | -2.4 | 0 | 0 | 0 | 123.4 | ||||
| 466 | G | 38.5 | Very low | 41 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | 120.8 | 156.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 467 | L | 42.6 | Very low | 41.1 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | cis | -168.6 | 149.2 | -12.5 | -107.9 | 179.2 | 0 | 0 | 0 | 108.9 | ||||
| 468 | L | 42.9 | Very low | 41.1 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 66.1 | 161.1 | 154.2 | -64.7 | 166.3 | 0 | 0 | 0 | 118.2 | ||||
| 469 | S | 37.7 | Very low | 41.3 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | cis | 171.5 | -172.2 | -29.4 | -123.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 470 | P | 51 | Low | 41.4 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | cis | -138.3 | 178.9 | -24.4 | 37.7 | -19 | 0 | 0 | 0 | 116.2 | ||||
| 471 | Q | 38.7 | Very low | 41.7 | Very low | 164 Ų | 164 | 122.3 Ų | 122.3 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | 64.1 | 153.1 | 149.7 | -79.2 | 170 | -80.2 | 0 | 0 | 120.7 | ||||
| 472 | Q | 41.3 | Very low | 41.7 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | cis | -150.8 | -178.7 | 4.7 | -136.7 | 173.9 | -87.4 | 0 | 0 | 108.9 | ||||
| 473 | A | 49.3 | Very low | 41.1 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | cis | -157.6 | 167.1 | 4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 474 | E | 46.8 | Very low | 41.3 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | 18.9 | 148.4 | 139.6 | -66 | 168.4 | 133.4 | 0 | 0 | 123.4 | ||||
| 475 | D | 41.9 | Very low | 41.4 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | cis | -161 | -155.4 | -22.3 | -153.1 | 20 | 0 | 0 | 0 | 111.1 | ||||
| 476 | P | 48.2 | Very low | 41.8 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | -129.3 | -176.2 | -125.3 | 43.2 | -22.7 | 0 | 0 | 0 | 117.6 | |||||
| 477 | G | 41.3 | Very low | 41.8 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | trans | 175.8 | 73.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 478 | A | 43.8 | Very low | 41.6 | Very low | 103 Ų | 103 | 133 Ų | 133 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | 66.9 | 156.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 479 | P | 42.6 | Very low | 41.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -142.7 | -178.6 | -151.5 | 42.9 | -22.9 | 0 | 0 | 0 | 120.1 | ||||
| 480 | S | 38.9 | Very low | 41.2 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 85.6 | 164 | 154.5 | 87.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 481 | P | 43.1 | Very low | 40.5 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | cis | -133.6 | 163.5 | -0.8 | 26.1 | -2.6 | 0 | 0 | 0 | 118.1 | ||||
| 482 | Q | 39.7 | Very low | 40.1 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | 64.4 | 105.2 | 146.8 | -68.8 | -76.2 | -26.2 | 0 | 0 | 121.3 | ||||
| 483 | R | 32.2 | Very low | 40 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | -129.2 | 128.3 | 150.7 | 175.1 | -176.1 | 172.8 | -157.8 | -1.5 | 108.5 | F485 | R483-F485 PolarHBondContact O-N 2.9Š| ||
| 484 | W | 38.4 | Very low | 39.3 | Very low | 216 Ų | 216 | 141.9 Ų | 141.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -71 | 127.1 | -178.9 | -70.3 | 89.3 | 0 | 0 | 0 | 112.7 | ||||
| 485 | F | 34.4 | Very low | 38.6 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -128.8 | 142.5 | 156.8 | -92 | -82.9 | 0 | 0 | 0 | 107.5 | R483 | R483-F485 PolarHBondContact O-N 2.9Š| ||
| 486 | V | 43.7 | Very low | 38.4 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -125.2 | 117.5 | 169.5 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 487 | T | 39.1 | Very low | 37.6 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -84.1 | 146.7 | 172.4 | 35.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 488 | P | 37.7 | Very low | 37.4 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 133.5 | 172.5 | 31.2 | -33 | 0 | 0 | 0 | 110.2 | ||||
| 489 | A | 39.9 | Very low | 36.9 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -128.9 | 147.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 490 | N | 32.5 | Very low | 36.6 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -44.9 | 135.1 | -172.9 | -68.2 | -36.8 | 0 | 0 | 0 | 114.4 | ||||
| 491 | N | 36.7 | Very low | 36.5 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -141.3 | 127.1 | 135.8 | -114.7 | -21.9 | 0 | 0 | 0 | 110.5 | ||||
| 492 | R | 30.4 | Very low | 36 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -107.9 | 123.5 | -176.5 | 167.9 | -170.6 | 176.3 | 174.3 | 2.1 | 107.6 | D494 | R492-D494 IonicContact NE-OD1 3.51Å; R492-D494 IonicContact NH2-OD1 3.79Å | ||
| 493 | L | 38.7 | Very low | 35.7 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -142.6 | 128.9 | 168.6 | -96.9 | 165.8 | 0 | 0 | 0 | 108.9 | ||||
| 494 | D | 35.2 | Very low | 35.9 | Very low | 119 Ų | 119 | 141 Ų | 141 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -90.9 | 149.4 | -162.2 | -49.7 | -101 | 0 | 0 | 0 | 112.5 | R492 | R492-D494 IonicContact NE-OD1 3.51Å; R492-D494 IonicContact NH2-OD1 3.79Å | ||
| 495 | F | 31.5 | Very low | 35.9 | Very low | 218 Ų | 218 | 137.5 Ų | 137.5 | 96% | 0.956 | 79% | 0.786 | S | S | * | * | trans | -87 | 110.2 | -179.8 | -129.1 | -87.8 | 0 | 0 | 0 | 110.3 | ||||
| 496 | A | 38.5 | Very low | 35.9 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -92.9 | 128.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 497 | A | 31.5 | Very low | 35.5 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -87.7 | 142.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 498 | S | 36.2 | Very low | 35.2 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -134 | 135.5 | 152.2 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 499 | A | 33.9 | Very low | 35.2 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -93.7 | -160.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 500 | Y | 35.6 | Very low | 34.9 | Very low | 203 Ų | 203 | 137.6 Ų | 137.6 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | 64 | 139.6 | 179.8 | 79.4 | -101.2 | 0 | 0 | 0 | 115.6 | ||||
| 501 | D | 36.9 | Very low | 35.1 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | cis | -140.5 | -166.4 | -5.8 | -144.4 | -45.4 | 0 | 0 | 0 | 111.4 | ||||
| 502 | T | 34 | Very low | 35.3 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -99.3 | 172 | -148.1 | 42.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 503 | A | 32.2 | Very low | 35.6 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 75.8 | 102.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 504 | T | 37.4 | Very low | 35.5 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | -165.6 | 126.4 | 100.9 | 31.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 505 | D | 38 | Very low | 35.5 | Very low | 143 Ų | 143 | 130 Ų | 130 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | 42.3 | 111.5 | 144.2 | -56 | -52.9 | 0 | 0 | 0 | 124.1 | ||||
| 506 | F | 34.6 | Very low | 35.8 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | 66.3 | 76.4 | 128.8 | -103.8 | -93.9 | 0 | 0 | 0 | 121.7 | |||||
| 507 | A | 34.2 | Very low | 35.9 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | 54.4 | 113.2 | 118.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 508 | G | 32.7 | Very low | 36.4 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | 174.4 | 123.8 | 154 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 509 | N | 38.4 | Very low | 36.8 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | 76.7 | 49.8 | 154.2 | -44.6 | -52.3 | 0 | 0 | 0 | 119.5 | ||||
| 510 | A | 33.3 | Very low | 36.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 93% | 0.934 | 81% | 0.807 | S | S | * | * | trans | -102.2 | 46 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 511 | A | 36.7 | Very low | 37.2 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -154.8 | 98.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 512 | T | 40.4 | Very low | 37.4 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 90% | 0.896 | 82% | 0.822 | S | S | * | * | trans | -127.7 | 58.7 | 166.3 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 513 | L | 38.3 | Very low | 37.3 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -133 | 131.2 | 162.4 | -70.9 | 175.7 | 0 | 0 | 0 | 108.2 | ||
| 514 | L | 35.4 | Very low | 37.7 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | trans | 53.4 | 92.1 | 164.9 | -55.8 | 175.2 | 0 | 0 | 0 | 117.2 | ||||
| 515 | S | 35.6 | Very low | 37.6 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 83% | 0.831 | S | S | * | * | trans | -168.4 | 133.9 | 170.8 | -79.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 516 | Y | 38.2 | Very low | 37.8 | Very low | 221 Ų | 221 | 134.8 Ų | 134.8 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | cis | -147.7 | 159.1 | -11.9 | -105.5 | -72.8 | 0 | 0 | 0 | 108.6 | ||||
| 517 | A | 40.5 | Very low | 37.9 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 149.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 518 | A | 42.8 | Very low | 38 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 154.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 519 | A | 43.6 | Very low | 38.4 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 85% | 0.851 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 148.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 520 | G | 34.5 | Very low | 38.3 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | trans | 79.8 | 78.3 | 136.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 521 | V | 42.6 | Very low | 38.3 | Very low | 154 Ų | 154 | 133 Ų | 133 | 93% | 0.933 | 84% | 0.842 | S | S | * | * | trans | -135.7 | 156.3 | 146.5 | -109.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 522 | K | 41.6 | Very low | 38.3 | Very low | 213 Ų | 213 | 136 Ų | 136 | 93% | 0.926 | 85% | 0.852 | S | S | * | * | trans | -74.5 | 151.1 | -163.1 | -67.1 | 177.9 | 179.5 | 176.1 | 0 | 113.2 | ||||
| 523 | A | 32.4 | Very low | 38.3 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 81% | 0.81 | 85% | 0.845 | S | S | * | * | trans | -79.2 | 150.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 524 | L | 41.3 | Very low | 38.4 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 89% | 0.89 | 85% | 0.851 | S | S | * | * | trans | -136.3 | 127.7 | 155.8 | -91.5 | 169.4 | 0 | 0 | 0 | 107.9 | ||||
| 525 | P | 34 | Very low | 38.8 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | trans | -91.6 | 119 | -178.1 | 33.3 | -30.9 | 0 | 0 | 0 | 111.8 | ||||
| 526 | L | 42.5 | Very low | 39.1 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 91% | 0.906 | 85% | 0.85 | S | S | * | * | trans | -131.1 | 157.9 | 164.1 | -84.5 | 173.3 | 0 | 0 | 0 | 110.8 | ||||
| 527 | Q | 36.3 | Very low | 39.6 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | trans | -77.5 | 135.7 | -154.4 | -65.6 | 165.7 | -32.3 | 0 | 0 | 113.6 | ||||
| 528 | A | 36.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | trans | -92.1 | 114.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 529 | A | 41.9 | Very low | 39.6 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | trans | -77.3 | 145.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 530 | G | 35.1 | Very low | 39.6 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | trans | -83.2 | 143.1 | -160.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 531 | C | 33.9 | Very low | 39.8 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 89% | 0.885 | 85% | 0.848 | S | S | * | * | trans | -133.1 | 108.5 | 159.8 | -70.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 532 | T | 37.2 | Very low | 40.5 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 93% | 0.933 | 84% | 0.838 | S | S | * | * | trans | -94.5 | 110.1 | -179.9 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 533 | G | 39.5 | Very low | 40.7 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -135 | 126.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 534 | R | 42.2 | Very low | 41.1 | Very low | 245 Ų | 245 | 136.2 Ų | 136.2 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -94.1 | 144.2 | -178.2 | -67 | -177.6 | 174.9 | -154.5 | -0.7 | 111.1 | ||||
| 535 | P | 42.9 | Very low | 41.1 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -68.4 | 139.4 | 165.4 | 30.4 | -33.7 | 0 | 0 | 0 | 110.3 | ||||
| 536 | L | 42.8 | Very low | 41.3 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | trans | -93.5 | 100.5 | -177.8 | -171.9 | 66.4 | 0 | 0 | 0 | 110.4 | Y538 | L536-Y538 HydrophobicContact CD2-CD2 4.37Å; L536-Y538 HydrophobicContact CD2-CE2 3.62Å; L536-Y538 HydrophobicContact CG-CD2 4.25Å; L536-Y538 HydrophobicContact CG-CE2 3.91Å | ||
| 537 | G | 48.6 | Very low | 40.9 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -92.3 | 115.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 538 | Y | 37 | Very low | 41 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -96.6 | 104.7 | 168.8 | -81.6 | -85.9 | 0 | 0 | 0 | 110.7 | L536 | L536-Y538 HydrophobicContact CD2-CD2 4.37Å; L536-Y538 HydrophobicContact CD2-CE2 3.62Å; L536-Y538 HydrophobicContact CG-CD2 4.25Å; L536-Y538 HydrophobicContact CG-CE2 3.91Å | ||
| 539 | Y | 45.3 | Very low | 41.3 | Very low | 237 Ų | 237 | 138 Ų | 138 | 93% | 0.929 | 83% | 0.827 | S | S | * | * | trans | -163.2 | 146.7 | 132.2 | -112.3 | -76.3 | 0 | 0 | 0 | 108.5 | ||||
| 540 | A | 43.5 | Very low | 41.9 | Very low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -89.2 | 148.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 541 | D | 38.5 | Very low | 42.2 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | trans | -120.7 | 121.8 | -178.3 | -177.5 | 29.7 | 0 | 0 | 0 | 110.8 | S543 | D541-S543 PolarHBondContact O-N 3.38Å; D541-S543 VanDerWaalsContact O-N 3.12Å | ||
| 542 | P | 57 | Low | 42.4 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 72% | 0.721 | 83% | 0.827 | S | S | * | * | trans | -86.7 | 76.7 | -173.3 | 34.7 | -35.8 | 0 | 0 | 0 | 114 | ||||
| 543 | S | 46.6 | Very low | 42.5 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | 35.6 | 112.7 | 143.2 | 63.5 | 0 | 0 | 0 | 0 | 120.8 | D541 | D541-S543 PolarHBondContact O-N 3.38Å; D541-S543 VanDerWaalsContact O-N 3.12Å | ||
| 544 | G | 40.8 | Very low | 42.1 | Very low | 70 Ų | 70 | 150.3 Ų | 150.3 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | 100.9 | 147.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 545 | W | 40.8 | Very low | 41.8 | Very low | 256 Ų | 256 | 141.9 Ų | 141.9 | 97% | 0.97 | 82% | 0.817 | S | S | * | * | cis | -140.3 | 156.5 | 24.7 | -85.4 | 63.9 | 0 | 0 | 0 | 114 | ||||
| 546 | G | 38.1 | Very low | 41.6 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 60.3 | 96.5 | 136.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 547 | A | 35 | Very low | 41.4 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -73.7 | 139.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 548 | R | 38.5 | Very low | 41 | Very low | 248 Ų | 248 | 145.8 Ų | 145.8 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -146.9 | 134.3 | 150.6 | -86.8 | -175.3 | -173.6 | -102.1 | -2 | 109.8 | ||||
| 549 | S | 42 | Very low | 41.1 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 141.6 | 178.4 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 550 | P | 53.7 | Low | 41 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 151 | 158.8 | -9.2 | 27.7 | 0 | 0 | 0 | 111.4 | ||
| 551 | P | 43.4 | Very low | 40.9 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 163.6 | -177.8 | 36 | -36.1 | 0 | 0 | 0 | 113.9 | ||
| 552 | Q | 36.4 | Very low | 41.3 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 142.3 | 163.2 | -68.2 | -178.1 | -17.5 | 0 | 0 | 111.1 | ||
| 553 | Y | 39.5 | Very low | 40.5 | Very low | 237 Ų | 237 | 135 Ų | 135 | 93% | 0.929 | 81% | 0.805 | S | S | * | * | trans | -150.3 | 158.5 | 154.2 | -145.7 | -98.6 | 0 | 0 | 0 | 111.3 | ||||
| 554 | C | 31 | Very low | 39.7 | Very low | 115 Ų | 115 | 136 Ų | 136 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -105 | 146.4 | -175.1 | -169 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 555 | G | 36.7 | Very low | 39.4 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -176.9 | 63.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 556 | T | 37.5 | Very low | 39.4 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | trans | 15.3 | 135.3 | 146.3 | 48.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 557 | K | 39.1 | Very low | 39.2 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 101.6 | 132.2 | 139.6 | -69.6 | 148.5 | -176.4 | 177.1 | 0 | 121 | ||||
| 558 | S | 40.5 | Very low | 39.1 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | 67 | 140.7 | 155.2 | -55.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 559 | G | 40 | Very low | 38.9 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | cis | 166.4 | 170.5 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 560 | S | 42.4 | Very low | 38.6 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | 72.8 | 147.3 | 175.6 | 88.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 561 | V | 41.2 | Very low | 37.7 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -132.2 | 154.9 | -3.4 | -176 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 562 | L | 47 | Very low | 37.2 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -68.7 | -174.3 | 176.8 | -62.6 | 169.5 | 0 | 0 | 0 | 115 | ||||
| 563 | P | 39.7 | Very low | 37.1 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 62% | 0.623 | 80% | 0.796 | S | S | * | * | cis | -132.3 | 167.4 | -11.9 | 18.8 | 5.6 | 0 | 0 | 0 | 116.4 | ||||
| 564 | C | 30.9 | Very low | 36.8 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -99 | 153.5 | 151 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 565 | W | 34.4 | Very low | 37.2 | Very low | 236 Ų | 236 | 128.7 Ų | 128.7 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -134.1 | 152.7 | 165.1 | -81.5 | 74.8 | 0 | 0 | 0 | 111.2 | ||||
| 566 | P | 40 | Very low | 37.2 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -131.6 | -171.2 | -147.1 | 40.2 | -21.3 | 0 | 0 | 0 | 116.4 | ||||
| 567 | N | 35.1 | Very low | 37.2 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -13.3 | 143.6 | 173.2 | -78.1 | 3.7 | 0 | 0 | 0 | 120.8 | ||||
| 568 | S | 31.7 | Very low | 37.2 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -71 | 132.8 | 164.1 | 177.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 569 | A | 35.2 | Very low | 37 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -165 | 149.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 570 | A | 34.8 | Very low | 37.2 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 73.7 | 127 | 152.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 571 | A | 34.3 | Very low | 37.1 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 78.7 | 91.7 | 133.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 572 | A | 33.6 | Very low | 36.9 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 76.3 | 135.2 | 112.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 573 | A | 34.4 | Very low | 36.6 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | 70.4 | 151.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 574 | R | 33.3 | Very low | 36.6 | Very low | 224 Ų | 224 | 130 Ų | 130 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | cis | -165.5 | 167.4 | -17.1 | -110.8 | 178.9 | -177.9 | 174.8 | 0.3 | 107.6 | ||||
| 575 | M | 38.5 | Very low | 37 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | 71.7 | 152.4 | 169.9 | -50.1 | -45.9 | -155.4 | 0 | 0 | 116.6 | ||||
| 576 | A | 36.7 | Very low | 37.3 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | cis | -167.3 | 157 | -25.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 577 | G | 37.4 | Very low | 37.2 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 93.3 | 144.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 578 | A | 40.6 | Very low | 37.4 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | cis | -154 | 165.6 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 579 | N | 34.9 | Very low | 37.7 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -83.7 | -172.5 | -176.3 | -128.5 | 20 | 0 | 0 | 0 | 112.6 | ||||
| 580 | P | 45.9 | Very low | 37.8 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 57% | 0.565 | 79% | 0.787 | S | S | * | * | cis | -119 | -168.9 | 4 | 37.5 | -17 | 0 | 0 | 0 | 113.3 | ||||
| 581 | Y | 38.4 | Very low | 38.1 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | cis | -134.4 | 169.1 | 16.3 | -80.2 | -67.2 | 0 | 0 | 0 | 110.1 | ||||
| 582 | L | 39.1 | Very low | 38.7 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | cis | 76.6 | 120.7 | 39.4 | -146.8 | 167 | 0 | 0 | 0 | 113.7 | ||||
| 583 | G | 39.3 | Very low | 39 | Very low | 57 Ų | 57 | 134.8 Ų | 134.8 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | cis | 163.2 | 161.4 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 584 | E | 40 | Very low | 40 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 63.2 | 165.3 | 160.3 | -70.1 | 160.4 | 101.9 | 0 | 0 | 119.8 | ||||
| 585 | E | 39.2 | Very low | 40.8 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | cis | -165.6 | -169.6 | -49.8 | -129 | 176.7 | -147.5 | 0 | 0 | 111 | ||||
| 586 | A | 40.6 | Very low | 41.3 | Very low | 86 Ų | 86 | 130 Ų | 130 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 71.9 | 137.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 587 | E | 38.9 | Very low | 42.3 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 94% | 0.944 | 77% | 0.771 | S | S | * | * | 67.1 | 133.9 | 51 | -63 | -157.4 | 145.5 | 0 | 0 | 114.6 | |||||
| 588 | G | 37.9 | Very low | 43 | Very low | 65 Ų | 65 | 132.7 Ų | 132.7 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | 179.7 | -162.9 | -0.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 589 | L | 39.6 | Very low | 43.1 | Very low | 181 Ų | 181 | 131 Ų | 131 | 95% | 0.948 | 76% | 0.763 | S | S | * | * | trans | 73.1 | 158.1 | 174.9 | -48.9 | 172.9 | 0 | 0 | 0 | 117.1 | ||||
| 590 | A | 37 | Very low | 43.5 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | cis | -171.3 | 173.8 | -30.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 591 | A | 41.4 | Very low | 43.5 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 76.7 | 149.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 592 | E | 45.1 | Very low | 43.6 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | cis | -156.3 | 158.9 | 0.7 | -136 | -160.9 | 120.1 | 0 | 0 | 114 | ||||
| 593 | R | 40.3 | Very low | 44.2 | Very low | 204 Ų | 204 | 130.1 Ų | 130.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 44.5 | 124.7 | 162.5 | -71.6 | 171.1 | 167.3 | 133.1 | -8.3 | 120.3 | ||||
| 594 | S | 56.4 | Low | 44.5 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | 76.3 | 154 | 47.9 | -54.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 595 | P | 48.7 | Very low | 44.6 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -123.3 | 163.9 | -18.3 | 22.1 | 2.4 | 0 | 0 | 0 | 113.6 | ||||
| 596 | L | 50.2 | Low | 45.1 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | 79.2 | 162.5 | 56.4 | -62.4 | 177 | 0 | 0 | 0 | 116 | |||||
| 597 | P | 57.8 | Low | 45.3 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | -135.5 | -127.8 | -81.3 | 41.6 | -19.2 | 0 | 0 | 0 | 111.9 | |||||
| 598 | P | 51.2 | Low | 45.4 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | cis | -133.3 | -175 | -42.1 | 40.5 | -23.3 | 0 | 0 | 0 | 115.9 | ||||
| 599 | G | 43.7 | Very low | 45.7 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 147.8 | 113.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 600 | A | 43.2 | Very low | 45.8 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | 80.3 | 131.2 | 69.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 601 | A | 46.2 | Very low | 46 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | cis | -152.2 | -164.8 | 0.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 602 | E | 40.4 | Very low | 46.1 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -88.4 | 164.8 | -162.6 | -54.8 | 165.5 | 96.4 | 0 | 0 | 116.9 | ||||
| 603 | D | 51.7 | Low | 45.8 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | -166.3 | 155.5 | 125.2 | -135.6 | -32.1 | 0 | 0 | 0 | 116.3 | |||||
| 604 | A | 44.8 | Very low | 46.1 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 62 | 150.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 605 | K | 42.6 | Very low | 45.7 | Very low | 200 Ų | 200 | 133.8 Ų | 133.8 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -148.4 | -174.3 | -170.7 | -113 | -172.9 | 179.5 | 174.7 | 0 | 109 | ||||
| 606 | P | 50.3 | Low | 45.3 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | cis | -133.5 | -168.7 | -40.3 | 39.2 | -21.8 | 0 | 0 | 0 | 112.3 | ||||
| 607 | K | 44.8 | Very low | 45 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 154.2 | 126.9 | 112.6 | -166.6 | 165.8 | -174 | 176.8 | 0 | 115.1 | |||||
| 608 | D | 39.3 | Very low | 44.3 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | trans | 35.6 | 147.1 | 153.4 | -43 | -17.3 | 0 | 0 | 0 | 120.9 | ||||
| 609 | L | 46.3 | Very low | 43.5 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | cis | -142.9 | 170.1 | 32.7 | -75.8 | 160.1 | 0 | 0 | 0 | 113.3 | ||||
| 610 | S | 40.9 | Very low | 43.5 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -82.6 | -178.3 | 169.5 | 65.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 611 | D | 41.4 | Very low | 43.7 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | -155.1 | 174.3 | 21.3 | -126.5 | -77.8 | 0 | 0 | 0 | 107.8 | ||||
| 612 | S | 43.3 | Very low | 43.5 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | -155.3 | -158.1 | 9.8 | -154 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 613 | S | 38.1 | Very low | 43.5 | Very low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | -132.3 | 150.6 | -174.9 | 178.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 614 | W | 47.3 | Very low | 43.5 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 91% | 0.905 | 77% | 0.774 | S | S | * | * | trans | -143.6 | 73.4 | 157 | -87.4 | 111.5 | 0 | 0 | 0 | 113 | ||||
| 615 | I | 47.3 | Very low | 43.3 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | trans | 43.9 | 118.4 | 137.1 | -57.3 | 176.5 | 0 | 0 | 0 | 119.1 | ||||
| 616 | E | 41.3 | Very low | 43.1 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -85.8 | 155.2 | 164.4 | -179.6 | 176.9 | -172.9 | 0 | 0 | 111.9 | ||||
| 617 | T | 44.2 | Very low | 42.6 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -125.6 | 126.2 | 177.3 | -47.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 618 | P | 41.2 | Very low | 42.6 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -85.8 | 161.5 | -166.7 | 33.5 | -37.1 | 0 | 0 | 0 | 115.1 | ||||
| 619 | S | 35.7 | Very low | 42.6 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -89.1 | 143.3 | 170.8 | -57.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 620 | S | 42.7 | Very low | 42.3 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 167.4 | 115.2 | 138.6 | -178.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 621 | I | 47.1 | Very low | 42.4 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | trans | -177.5 | 107.1 | 139.4 | -101.7 | 164.5 | 0 | 0 | 0 | 105.3 | ||||
| 622 | K | 41.9 | Very low | 42.1 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | 77.1 | 137.3 | 81.8 | -76.2 | -172.4 | 176.1 | -175.4 | 0 | 113.1 | |||||
| 623 | S | 40.8 | Very low | 41.9 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -88.9 | 160.7 | -162 | 43.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 624 | I | 52.5 | Low | 42 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -123.6 | 148.5 | 146.4 | -169.5 | 60.9 | 0 | 0 | 0 | 107.3 | ||||
| 625 | D | 39.6 | Very low | 41.6 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -133 | 159.8 | -168.1 | -162.9 | -26.9 | 0 | 0 | 0 | 109.9 | ||||
| 626 | S | 39.9 | Very low | 41.2 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | trans | 79.1 | 152.6 | 153.3 | -65.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 627 | S | 39.7 | Very low | 41.2 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 73.2 | 89 | 159.2 | -54.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 628 | D | 43.8 | Very low | 40.8 | Very low | 151 Ų | 151 | 150 Ų | 150 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | -140.3 | 137.6 | 118.6 | -159.5 | -4.4 | 0 | 0 | 0 | 110.4 | |||||
| 629 | S | 40.3 | Very low | 40.6 | Very low | 126 Ų | 126 | 155.4 Ų | 155.4 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -172.8 | 102.2 | -178.4 | -81.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 630 | G | 39.6 | Very low | 40.8 | Very low | 55 Ų | 55 | 157.3 Ų | 157.3 | 57% | 0.567 | 81% | 0.81 | S | S | * | * | trans | 121.6 | 163.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 631 | I | 42.7 | Very low | 40.9 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | 70.1 | 124.5 | -174.6 | -48.8 | 162.5 | 0 | 0 | 0 | 110.5 | ||||
| 632 | Y | 35.1 | Very low | 40.6 | Very low | 198 Ų | 198 | 154.4 Ų | 154.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | cis | -131.7 | 134 | 29.5 | -163.8 | -93.3 | 0 | 0 | 0 | 112.7 | ||||
| 633 | E | 40 | Very low | 40.1 | Very low | 169 Ų | 169 | 150 Ų | 150 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -95.8 | 165.5 | 172.1 | -164.9 | -176.4 | -171.5 | 0 | 0 | 110.4 | ||||
| 634 | Q | 38.3 | Very low | 40.1 | Very low | 164 Ų | 164 | 151 Ų | 151 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | 96.7 | 94.3 | 173.4 | -51.9 | 178.4 | 19.8 | 0 | 0 | 117.8 | ||||
| 635 | A | 39.5 | Very low | 39.5 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -149.5 | 55 | 149.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R637 | A635-R637 PolarHBondContact O-N 3.12Š| ||
| 636 | K | 39.5 | Very low | 39.9 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -81 | 104.4 | -166.9 | 180 | -178.9 | -176.9 | 172.4 | 0 | 113.2 | ||||
| 637 | R | 40.4 | Very low | 39.7 | Very low | 250 Ų | 250 | 150.9 Ų | 150.9 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | -144.3 | 123.2 | 156.6 | -119.4 | 175.4 | -170.1 | -128.3 | -1.2 | 114.9 | A635 | A635-R637 PolarHBondContact O-N 3.12Š| ||
| 638 | R | 35.9 | Very low | 39.7 | Very low | 233 Ų | 233 | 149.4 Ų | 149.4 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -68.9 | 147.5 | 178.4 | -64.9 | 166.1 | 163.9 | 168.5 | -9.3 | 112 | ||||
| 639 | R | 38.5 | Very low | 39.5 | Very low | 234 Ų | 234 | 150.3 Ų | 150.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | -140.9 | 96.9 | 128.5 | -176.8 | 172.8 | -86.6 | -172.2 | -6 | 109.8 | |||||
| 640 | I | 39.9 | Very low | 39.3 | Very low | 161 Ų | 161 | 149 Ų | 149 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -106.5 | 128.2 | 161.3 | -58.8 | 170.9 | 0 | 0 | 0 | 105.1 | ||||
| 641 | S | 43.9 | Very low | 39.4 | Very low | 91 Ų | 91 | 152.1 Ų | 152.1 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -156.2 | 148.6 | -175.7 | -61.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 642 | P | 40.8 | Very low | 39.2 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | -106.3 | 174.1 | -115.3 | -1.4 | 21.7 | 0 | 0 | 0 | 115.1 | |||||
| 643 | A | 32.3 | Very low | 39.9 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -95.4 | 115.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 644 | D | 40.8 | Very low | 40 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -125.3 | 122.6 | 176.8 | -77.6 | -61.5 | 0 | 0 | 0 | 110.1 | ||||
| 645 | T | 38 | Very low | 40.4 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -115.5 | 125.7 | 171.4 | 48.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 646 | P | 49.4 | Very low | 40.5 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -93.8 | 165.2 | 158 | 33.1 | -27 | 0 | 0 | 0 | 111.8 | ||||
| 647 | V | 35.9 | Very low | 40.8 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -122.2 | 177.9 | -165.7 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 648 | S | 39.3 | Very low | 41 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | 78.1 | 148.4 | 171.1 | -64 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 649 | E | 38.4 | Very low | 41.3 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | cis | 172.4 | 172.5 | -0.4 | -102.4 | 162.1 | -141.4 | 0 | 0 | 103 | ||||
| 650 | S | 37.4 | Very low | 41.4 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -164.4 | 156.7 | -31.7 | 60.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 651 | S | 41.6 | Very low | 41.3 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 165.6 | 155.3 | 149 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 652 | S | 39.1 | Very low | 41.1 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -123.1 | -133.9 | -173.4 | -44 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 653 | P | 49.7 | Very low | 41.2 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -144.1 | -173.8 | 0.7 | 36.3 | -11.4 | 0 | 0 | 0 | 117.5 | ||||
| 654 | L | 42.4 | Very low | 41.3 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | 75 | 144 | 162.9 | -46.8 | -179.3 | 0 | 0 | 0 | 117.7 | ||||
| 655 | K | 45.9 | Very low | 41.3 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | cis | -125.5 | 144.6 | 5.9 | -83 | -169.3 | 175.1 | -174 | 0 | 110 | ||||
| 656 | S | 41.1 | Very low | 41.3 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | 69.4 | 131.6 | 59.3 | 93.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 657 | E | 45.8 | Very low | 40.8 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | cis | -156.8 | 172.2 | 12.5 | -91.3 | 125.3 | 129.7 | 0 | 0 | 109.8 | ||||
| 658 | V | 44.3 | Very low | 40.8 | Very low | 120 Ų | 120 | 134 Ų | 134 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -175.5 | 162.4 | -27.8 | 71.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 659 | L | 42.7 | Very low | 40.8 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | trans | 68.9 | 152 | 171.9 | -63.3 | 168.8 | 0 | 0 | 0 | 117.6 | ||||
| 660 | A | 39.9 | Very low | 40.8 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | cis | -177 | 172 | -12.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 661 | Q | 38.3 | Very low | 40.9 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | cis | -175.5 | 162.7 | -29.3 | -174.8 | -178.8 | 15 | 0 | 0 | 107.9 | ||||
| 662 | R | 41 | Very low | 40.9 | Very low | 204 Ų | 204 | 138 Ų | 138 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | 76.6 | 154.8 | 174.4 | -62.1 | -169 | 168.7 | 106.9 | 1 | 116.2 | ||||
| 663 | D | 42 | Very low | 41 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | cis | -173.6 | 168.8 | -15.8 | -91.4 | -16.8 | 0 | 0 | 0 | 106 | ||||
| 664 | C | 35.6 | Very low | 40.8 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | cis | -172.8 | 105.7 | -14.6 | 168.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 665 | E | 39.2 | Very low | 40.7 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | 95.1 | 147.1 | 99.5 | -149.6 | -149.7 | 143.1 | 0 | 0 | 116.4 | |||||
| 666 | K | 38.6 | Very low | 40.6 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | 73.2 | 164.2 | 165.3 | -57.3 | 170.7 | 172.7 | 91 | 0 | 120.6 | ||||
| 667 | N | 38.5 | Very low | 40.8 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | -169.5 | 166.2 | -51.7 | -153.7 | -5.6 | 0 | 0 | 0 | 111.7 | |||||
| 668 | C | 36.9 | Very low | 40.6 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | 68.1 | 162 | 160.6 | -69.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 669 | A | 38.4 | Very low | 40.8 | Very low | 83 Ų | 83 | 144.4 Ų | 144.4 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | cis | -171.2 | 156.3 | -29.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 670 | K | 38.3 | Very low | 40.7 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 32.8 | 139.6 | 150 | -67.2 | -177 | 174.9 | -177.7 | 0 | 123.8 | ||||
| 671 | D | 39.6 | Very low | 41.1 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | 165.7 | 160.2 | 122.8 | -91.5 | -4.4 | 0 | 0 | 0 | 112 | |||||
| 672 | I | 42.3 | Very low | 41.5 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | cis | -163.9 | 168.6 | -31.5 | -138.7 | 171.3 | 0 | 0 | 0 | 110.2 | ||||
| 673 | S | 41.4 | Very low | 41.5 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 72.3 | 147.2 | 174 | -155.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 674 | G | 44.4 | Very low | 41.5 | Very low | 66 Ų | 66 | 145.5 Ų | 145.5 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 171 | 178.5 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 675 | Y | 40.1 | Very low | 41.8 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | cis | -167.6 | 164.5 | -11.3 | -147.5 | -88 | 0 | 0 | 0 | 109.6 | ||||
| 676 | Y | 44.5 | Very low | 42 | Very low | 212 Ų | 212 | 148.4 Ų | 148.4 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | 66.5 | 149.8 | 178 | -64.5 | -76.9 | 0 | 0 | 0 | 118.6 | ||||
| 677 | G | 44.7 | Very low | 42.2 | Very low | 56 Ų | 56 | 147.3 Ų | 147.3 | 58% | 0.577 | 80% | 0.803 | S | S | * | * | cis | 159 | 122.9 | -16.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 678 | F | 41.4 | Very low | 42.5 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | 61.7 | 145 | 166.9 | -58.7 | -89.1 | 0 | 0 | 0 | 117.2 | ||||
| 679 | Y | 49.1 | Very low | 42.9 | Very low | 220 Ų | 220 | 150.1 Ų | 150.1 | 86% | 0.863 | 81% | 0.809 | S | S | * | * | cis | -140.2 | 170.2 | 33.7 | -95.1 | -93.2 | 0 | 0 | 0 | 114.1 | ||||
| 680 | S | 41.7 | Very low | 43.2 | Very low | 102 Ų | 102 | 155.3 Ų | 155.3 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -140.8 | 138.7 | 172.1 | 52 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 681 | H | 48.1 | Very low | 43.6 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -163.8 | 148.3 | 159.1 | -100.6 | -67.2 | 0 | 0 | 0 | 110.9 | ||||
| 682 | S | 46.1 | Very low | 44 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 100% | 1.343 | 82% | 0.823 | S | S | * | * | trans | 49.8 | 0 | 177.9 | 65.7 | 0 | 0 | 0 | 0 | 116.5 |
Retrieved 682 of 682 residues in 73.6 ms
(Link to these results)