| 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 | 39.5 | Very low | 42.4 | Very low | 233 Ų | 233 | 180.1 Ų | 180.1 | 100% | 1.148 | 85% | 0.852 | S | S | * | * | 0 | 85.8 | 0 | -58 | 168.1 | -173.8 | 0 | 0 | 105.3 | |||||
| 2 | N | 34.8 | Very low | 42 | Very low | 158 Ų | 158 | 177 Ų | 177 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | 48.1 | 117.6 | 66.9 | -59.9 | 9.8 | 0 | 0 | 0 | 109.4 | |||||
| 3 | I | 48.8 | Very low | 42.5 | Very low | 167 Ų | 167 | 175.3 Ų | 175.3 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | cis | -126.5 | 135 | 31 | -62.8 | 151.3 | 0 | 0 | 0 | 112.1 | ||||
| 4 | H | 36.9 | Very low | 42.3 | Very low | 186 Ų | 186 | 172.1 Ų | 172.1 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -137.6 | 101.1 | 169.1 | -178.5 | 96.4 | 0 | 0 | 0 | 109.7 | ||||
| 5 | M | 47.3 | Very low | 42.1 | Very low | 155 Ų | 155 | 169.3 Ų | 169.3 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | -158.1 | 147.4 | 177 | -95.4 | -144.8 | 178.3 | 0 | 0 | 114.4 | ||||
| 6 | K | 44.4 | Very low | 41.7 | Very low | 181 Ų | 181 | 170.4 Ų | 170.4 | 79% | 0.787 | 83% | 0.828 | S | S | * | * | trans | 72.1 | 70.8 | 158 | -62.7 | 162.4 | -173.8 | 177.6 | 0 | 118.2 | ||||
| 7 | R | 40.1 | Very low | 41.9 | Very low | 251 Ų | 251 | 171 Ų | 171 | 95% | 0.947 | 83% | 0.829 | S | S | * | * | -68.3 | 125.7 | 127.3 | -80.1 | 179.5 | 172.6 | 155.2 | -3.1 | 107.9 | |||||
| 8 | K | 44 | Very low | 41.6 | Very low | 192 Ų | 192 | 168.3 Ų | 168.3 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -166.4 | 109.3 | 157.3 | -113.3 | 168.9 | -173.7 | -177.8 | 0 | 112.3 | ||||
| 9 | T | 41.8 | Very low | 41.7 | Very low | 112 Ų | 112 | 171.2 Ų | 171.2 | 69% | 0.687 | 82% | 0.82 | S | S | * | * | trans | 45.4 | 107.4 | 143.2 | -41.7 | 0 | 0 | 0 | 0 | 119.7 | K11 | T9-K11 HydrophobicContact CG2-CG 4.2Š| ||
| 10 | I | 43.1 | Very low | 41.3 | Very low | 172 Ų | 172 | 170.9 Ų | 170.9 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -119.4 | 130.6 | 138.5 | -62.3 | 179.9 | 0 | 0 | 0 | 106.8 | ||||
| 11 | K | 45.9 | Very low | 41.4 | Very low | 174 Ų | 174 | 170.9 Ų | 170.9 | 76% | 0.757 | 82% | 0.824 | S | S | * | * | trans | -123.9 | 156.8 | 175 | -82.1 | -172.8 | 175.5 | -172.5 | 0 | 108.6 | T9 | T9-K11 HydrophobicContact CG2-CG 4.2Š| ||
| 12 | N | 37.4 | Very low | 41.5 | Very low | 143 Ų | 143 | 167.5 Ų | 167.5 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | 63.4 | 124.2 | 177.2 | -61.6 | -1 | 0 | 0 | 0 | 115.2 | ||||
| 13 | I | 48 | Very low | 41.9 | Very low | 155 Ų | 155 | 168 Ų | 168 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | -149.2 | 120 | 104.5 | -93 | 149.1 | 0 | 0 | 0 | 107.3 | |||||
| 14 | N | 39.6 | Very low | 41.6 | Very low | 130 Ų | 130 | 167.5 Ų | 167.5 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | 33.5 | 109.3 | 157.3 | -47.3 | -7.9 | 0 | 0 | 0 | 118 | ||||
| 15 | T | 39.5 | Very low | 41.6 | Very low | 130 Ų | 130 | 162 Ų | 162 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | 42.4 | 99.8 | 78.2 | 68.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 16 | F | 36.6 | Very low | 41.2 | Very low | 188 Ų | 188 | 163.6 Ų | 163.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -140.4 | 94.8 | 148.4 | -163.1 | -100.5 | 0 | 0 | 0 | 108.9 | N18 | F16-N18 WeakPolarHBondContact CE1-ND2 3.33Š| ||
| 17 | E | 43.9 | Very low | 41.2 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -74.8 | 133.9 | 172.4 | -62.4 | -176.6 | 118.8 | 0 | 0 | 110 | ||||
| 18 | N | 37.4 | Very low | 41 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 66% | 0.658 | 80% | 0.804 | S | S | * | * | trans | -166.5 | 89.3 | 151.5 | -93.1 | -54.7 | 0 | 0 | 0 | 106.8 | F16 | F16-N18 WeakPolarHBondContact CE1-ND2 3.33Š| ||
| 19 | R | 42.5 | Very low | 40.8 | Very low | 223 Ų | 223 | 151 Ų | 151 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | 57.7 | 72.7 | 78.5 | -162 | 176.9 | -169.5 | 157.9 | 2.8 | 109.9 | |||||
| 20 | M | 34.6 | Very low | 40.5 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | 46.8 | 93.1 | 90.8 | -167.8 | 162.2 | 92.5 | 0 | 0 | 113 | |||||
| 21 | L | 44.3 | Very low | 40.3 | Very low | 172 Ų | 172 | 155.1 Ų | 155.1 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -128.1 | 137.7 | 152.5 | -72.7 | 176.7 | 0 | 0 | 0 | 107.1 | ||||
| 22 | M | 41.5 | Very low | 39.9 | Very low | 161 Ų | 161 | 155 Ų | 155 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -102.2 | 137.4 | 178.7 | -56 | -134.7 | -59.2 | 0 | 0 | 109.4 | ||||
| 23 | L | 42.2 | Very low | 39.8 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -138.9 | 145.1 | 161.2 | -74.7 | 178.7 | 0 | 0 | 0 | 108.5 | ||||
| 24 | D | 41.8 | Very low | 39.5 | Very low | 156 Ų | 156 | 154 Ų | 154 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -82.7 | 161.8 | -149.6 | -54.6 | -86.5 | 0 | 0 | 0 | 116.3 | ||||
| 25 | G | 37.8 | Very low | 39.3 | Very low | 71 Ų | 71 | 154.6 Ų | 154.6 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 105.4 | 73.7 | 145 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 26 | M | 39.8 | Very low | 39.4 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | -177.6 | 147.1 | 118 | -98.9 | 179.7 | -176.3 | 0 | 0 | 112.2 | |||||
| 27 | P | 43.9 | Very low | 39.3 | Very low | 126 Ų | 126 | 156.4 Ų | 156.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 136.9 | -175.5 | 32.5 | -34.4 | 0 | 0 | 0 | 113.2 | ||
| 28 | A | 35.5 | Very low | 39.1 | Very low | 98 Ų | 98 | 153 Ų | 153 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 131.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R30 | A28-R30 PolarHBondContact O-N 2.7Š|
| 29 | V | 39.2 | Very low | 39.3 | Very low | 136 Ų | 136 | 154.9 Ų | 154.9 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 116.8 | 167.6 | 177 | 0 | 0 | 0 | 0 | 108.9 | V31 | V29-V31 PolarHBondContact O-N 2.85Š|
| 30 | R | 35.6 | Very low | 38.9 | Very low | 241 Ų | 241 | 152.7 Ų | 152.7 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 125.4 | 175.1 | -76.5 | -178 | 167.4 | 117.2 | -5.8 | 110.8 | A28 | A28-R30 PolarHBondContact O-N 2.7Š|
| 31 | V | 39.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -113.8 | 123.7 | 154.6 | -175.6 | 0 | 0 | 0 | 0 | 106.8 | V29 T33 | V29-V31 PolarHBondContact O-N 2.85Å; V31-T33 PolarHBondContact O-N 2.78Å | ||
| 32 | K | 37.2 | Very low | 38.4 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | trans | -74.7 | 118.3 | 174.3 | -95.3 | -172.4 | 159.4 | -154.8 | 0 | 109.1 | E34 | K32-E34 IonicContact NZ-OE1 2.71Å; K32-E34 PolarHBondContact NZ-OE1 3.49Å | ||
| 33 | T | 35.9 | Very low | 38.1 | Very low | 125 Ų | 125 | 145 Ų | 145 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | trans | -92.3 | 113.9 | 154.9 | 51 | 0 | 0 | 0 | 0 | 107.7 | V31 | V31-T33 PolarHBondContact O-N 2.78Š| ||
| 34 | E | 41.8 | Very low | 37.7 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 71% | 0.71 | 81% | 0.812 | S | S | * | * | trans | -90.3 | 128.4 | 168 | -56.1 | -147.4 | 150.9 | 0 | 0 | 108.7 | K32 | K32-E34 IonicContact NZ-OE1 2.71Å; K32-E34 PolarHBondContact NZ-OE1 3.49Å | ||
| 35 | L | 35.7 | Very low | 37.3 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -88.2 | 131.7 | -177.5 | -73 | 166.4 | 0 | 0 | 0 | 109.8 | ||||
| 36 | L | 41.2 | Very low | 37 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -129 | 106 | 159.4 | -87.6 | 167 | 0 | 0 | 0 | 107.8 | ||||
| 37 | E | 34.6 | Very low | 36.5 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -90.9 | 123.6 | 176.3 | -63.8 | 176.4 | 97.4 | 0 | 0 | 109.6 | ||||
| 38 | S | 39.1 | Very low | 36.1 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -151.1 | 84.5 | 166 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 39 | E | 41.2 | Very low | 36.6 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | 56.6 | 115.5 | 138.4 | -55.9 | -154.2 | 80.3 | 0 | 0 | 122.5 | ||||
| 40 | Q | 34.9 | Very low | 36.1 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | 61.6 | 95 | 128.7 | -55 | -166.9 | 64.9 | 0 | 0 | 119.8 | |||||
| 41 | G | 33.2 | Very low | 36.3 | Very low | 78 Ų | 78 | 147.6 Ų | 147.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -157.4 | 128.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 42 | S | 35.3 | Very low | 36 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -68.5 | 141.6 | -175.6 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | N44 | S42-N44 PolarHBondContact O-N 3.5Š| ||
| 43 | P | 35.4 | Very low | 35.8 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -73.7 | 110.3 | -178.8 | 29.5 | -34.3 | 0 | 0 | 0 | 111.8 | ||||
| 44 | N | 33.4 | Very low | 35.8 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -103.6 | 159.5 | 167.8 | -157.4 | -11.7 | 0 | 0 | 0 | 110.8 | S42 H46 | S42-N44 PolarHBondContact O-N 3.5Å; N44-H46 PolarHBondContact O-N 3.36Å | ||
| 45 | V | 32 | Very low | 35.3 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -87.9 | 69.3 | -156.1 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 46 | H | 31.9 | Very low | 35.2 | Very low | 171 Ų | 171 | 146 Ų | 146 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -166.1 | 123.2 | 150.8 | -112.9 | 68 | 0 | 0 | 0 | 110.6 | N44 | N44-H46 PolarHBondContact O-N 3.36Š| ||
| 47 | N | 30.9 | Very low | 34.8 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -157.7 | 104.8 | 157.7 | -125.5 | -33.4 | 0 | 0 | 0 | 111.8 | ||||
| 48 | Y | 35.1 | Very low | 34.6 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -81.6 | 123 | 154.7 | -104.1 | -101.9 | 0 | 0 | 0 | 106.1 | D50 | Y48-D50 PolarHBondContact O-N 3.47Å; Y48-D50 VanDerWaalsContact O-N 3.1Å | ||
| 49 | P | 44.8 | Very low | 34.4 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | trans | -70 | 108.3 | 169.6 | 28.4 | -31.5 | 0 | 0 | 0 | 108.8 | ||||
| 50 | D | 30 | Very low | 33.8 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | -70.7 | 139.7 | 161.7 | -163.8 | 7 | 0 | 0 | 0 | 109 | Y48 | Y48-D50 PolarHBondContact O-N 3.47Å; Y48-D50 VanDerWaalsContact O-N 3.1Å | ||
| 51 | M | 39.6 | Very low | 34.1 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | trans | -152.9 | 101.5 | -175.1 | -85.9 | -64.3 | -178.9 | 0 | 0 | 109.8 | ||||
| 52 | E | 33.1 | Very low | 34.1 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -75.7 | 162.2 | 175.5 | -67.5 | -162.6 | 95.5 | 0 | 0 | 113.6 | ||||
| 53 | A | 33.3 | Very low | 34.2 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 17.9 | 106.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 54 | V | 34.1 | Very low | 34.1 | Very low | 129 Ų | 129 | 147 Ų | 147 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -128.4 | 122.6 | 142.9 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 55 | P | 32.8 | Very low | 34.3 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -84.8 | 132.8 | -176.4 | 32.3 | -33.4 | 0 | 0 | 0 | 112.1 | ||||
| 56 | L | 33.8 | Very low | 34.7 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -100.9 | 107.5 | 167.6 | -67.1 | -175.1 | 0 | 0 | 0 | 110.8 | ||||
| 57 | L | 32.1 | Very low | 34.9 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | -69.5 | 131.8 | 158.8 | -58.3 | 172.1 | 0 | 0 | 0 | 108.5 | ||||
| 58 | L | 30.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 143 Ų | 143 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | -174.3 | 133.4 | 126.9 | -119.9 | 58.2 | 0 | 0 | 0 | 113.2 | |||||
| 59 | N | 34.3 | Very low | 35.2 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | trans | 57.4 | 78.5 | 145.4 | -61.1 | 0.1 | 0 | 0 | 0 | 119.4 | V61 | N59-V61 HydrophobicContact CB-CG2 4.24Å; N59-V61 PolarHBondContact O-N 2.9Å | ||
| 60 | N | 30.3 | Very low | 34.9 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | -64.6 | 119 | 129.7 | -80 | -35 | 0 | 0 | 0 | 108.4 | |||||
| 61 | V | 39.5 | Very low | 35.2 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -123.3 | 126 | 161.1 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | N59 | N59-V61 HydrophobicContact CB-CG2 4.24Å; N59-V61 PolarHBondContact O-N 2.9Å | ||
| 62 | K | 34.8 | Very low | 35.2 | Very low | 196 Ų | 196 | 139 Ų | 139 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | -128 | 109.5 | 177.9 | -178.3 | -167.2 | 173 | -162.5 | 0 | 107.7 | ||||
| 63 | G | 35.7 | Very low | 35.8 | Very low | 61 Ų | 61 | 138.5 Ų | 138.5 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | trans | -163.2 | 108 | 175.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 64 | E | 34.7 | Very low | 36.1 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | 63.5 | 114.5 | 81.5 | -60.6 | -48.5 | 125.5 | 0 | 0 | 111.8 | |||||
| 65 | P | 37.2 | Very low | 36.4 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | trans | -91.5 | 163.9 | -179.2 | 38 | -35.5 | 0 | 0 | 0 | 112.7 | ||||
| 66 | P | 39.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -118.1 | 159.9 | 154.5 | 37 | -27.2 | 0 | 0 | 0 | 113 | ||||
| 67 | E | 36.8 | Very low | 36.9 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -86.4 | -179.6 | -173.2 | -44.1 | -68.2 | 97.1 | 0 | 0 | 113.8 | ||||
| 68 | D | 35.3 | Very low | 37.2 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | 55.9 | 109.7 | 156.5 | -67.4 | -31.9 | 0 | 0 | 0 | 121.1 | ||||
| 69 | S | 37.5 | Very low | 37.7 | Very low | 128 Ų | 128 | 143 Ų | 143 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -150.9 | 112.8 | 140.9 | -77.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 70 | L | 37.4 | Very low | 38.5 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 133.5 | 179.8 | -64.1 | 166.7 | 0 | 0 | 0 | 111 | ||||
| 71 | S | 36.9 | Very low | 39 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -141.4 | 121.2 | 153.6 | -80.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 72 | V | 40.7 | Very low | 39.6 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -105.4 | 130.3 | 177.4 | -156.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 73 | D | 45 | Very low | 39.8 | Very low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -137.4 | 136.2 | 167.1 | -119.5 | -45.1 | 0 | 0 | 0 | 110.1 | ||||
| 74 | H | 38.7 | Very low | 40.1 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 60% | 0.597 | 80% | 0.796 | S | S | * | * | trans | -127.3 | 112.9 | -160.2 | 165.6 | 87.9 | 0 | 0 | 0 | 109.6 | Q76 | H74-Q76 PolarHBondContact NE2-OE1 2.98Š| ||
| 75 | F | 42 | Very low | 40.5 | Very low | 207 Ų | 207 | 141.4 Ų | 141.4 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -116.2 | 127.6 | 172.1 | -111 | -89.8 | 0 | 0 | 0 | 110.9 | ||||
| 76 | Q | 39.7 | Very low | 40.9 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 62% | 0.617 | 79% | 0.789 | S | S | * | * | trans | -118.9 | 118.6 | -159.3 | -171.6 | 170.7 | -3.3 | 0 | 0 | 110.7 | H74 | H74-Q76 PolarHBondContact NE2-OE1 2.98Š| ||
| 77 | T | 37.5 | Very low | 41 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -123.4 | 130.3 | 169.9 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 78 | Q | 37.7 | Very low | 41.2 | Very low | 166 Ų | 166 | 146 Ų | 146 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -93.9 | 136.5 | -169.6 | -60.9 | 165.3 | -12.4 | 0 | 0 | 111.5 | ||||
| 79 | T | 40.8 | Very low | 41.3 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -152.3 | 111.2 | 154.6 | 50 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | E | 50.4 | Low | 41.4 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 8.9 | 127.3 | 158.3 | -51.5 | -49.9 | 88.1 | 0 | 0 | 120.6 | ||||
| 81 | P | 41.4 | Very low | 41.5 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -91.1 | 155.5 | 165.3 | 37 | -32.6 | 0 | 0 | 0 | 112.9 | ||||
| 82 | V | 51.7 | Low | 41.4 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -128.2 | 133.3 | 161.2 | -86.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 83 | D | 38.5 | Very low | 41.7 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | trans | -88.8 | 136.7 | -174.5 | -167.6 | -32.8 | 0 | 0 | 0 | 111.1 | S85 | D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 2.86Å; D83-S85 PolarHBondContact OD1-OG 3.04Å | ||
| 84 | L | 43.2 | Very low | 41.3 | Very low | 176 Ų | 176 | 144 Ų | 144 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -153.5 | 71.5 | 139.2 | -136 | 72.2 | 0 | 0 | 0 | 112.8 | ||||
| 85 | S | 43 | Very low | 41.2 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 56% | 0.559 | 79% | 0.787 | S | S | * | * | trans | 7.6 | 153.9 | 138.5 | -73.6 | 0 | 0 | 0 | 0 | 122.1 | D83 | D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 2.86Å; D83-S85 PolarHBondContact OD1-OG 3.04Å | ||
| 86 | I | 45.5 | Very low | 41.1 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 96.3 | 105.7 | 149.5 | -74.6 | 154.8 | 0 | 0 | 0 | 120.1 | ||||
| 87 | N | 41.4 | Very low | 41.2 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 55.2 | 127 | 141.6 | -55.1 | -20.6 | 0 | 0 | 0 | 122 | ||||
| 88 | K | 40.3 | Very low | 41.5 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | cis | 108.6 | 126.2 | 12.8 | -173.7 | 177.3 | -176 | 175.8 | 0 | 113.8 | ||||
| 89 | A | 39 | Very low | 41.9 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 68.7 | 149.1 | 170 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 90 | R | 38.1 | Very low | 42.7 | Very low | 225 Ų | 225 | 132.3 Ų | 132.3 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | cis | -165.8 | -176 | -18.1 | -160.9 | 179.1 | -178.8 | -148.5 | 3.2 | 108.2 | ||||
| 91 | T | 40.2 | Very low | 42.4 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | 66.8 | 117.3 | 158.2 | 52.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 92 | S | 35.4 | Very low | 42.5 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -70.2 | 166 | 151.6 | -31.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 93 | P | 45.4 | Very low | 42.2 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | -149.1 | -153.9 | 97 | 41.7 | -23.9 | 0 | 0 | 0 | 115.2 | |||||
| 94 | T | 36.6 | Very low | 42.4 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -94.6 | 145 | -156.3 | 43.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 95 | A | 37 | Very low | 42.3 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 50.4 | 123.6 | 130.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 96 | V | 40.9 | Very low | 42.3 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | -174.3 | 172.9 | 129.2 | -88.9 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 97 | S | 40.1 | Very low | 42 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | -166.9 | 166.2 | -57.4 | 75.1 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 98 | S | 44.6 | Very low | 42.2 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 70.4 | 150.9 | 169.1 | -44.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 99 | S | 46.9 | Very low | 42.2 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | cis | -159 | 168.3 | -17.6 | -104.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 100 | P | 57.8 | Low | 42.7 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -116.6 | 179.7 | -158.9 | 43.2 | -35.4 | 0 | 0 | 0 | 116.2 | ||||
| 101 | V | 43.5 | Very low | 42.7 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -146.5 | 153.2 | 150.9 | -94.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 102 | S | 43.1 | Very low | 42.5 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -84.1 | 174.1 | -173.5 | -49.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 103 | M | 45.9 | Very low | 42.6 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 82% | 0.823 | 80% | 0.798 | S | S | * | * | cis | -154.1 | -173 | 45.2 | -67 | -74.4 | -174.9 | 0 | 0 | 110.4 | ||||
| 104 | T | 43 | Very low | 42 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | cis | -151.2 | -166.8 | 10.6 | -25.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 105 | A | 40.8 | Very low | 42 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 173.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 106 | S | 43.1 | Very low | 41.8 | Very low | 123 Ų | 123 | 118 Ų | 118 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | cis | -144.4 | 160.4 | 30.5 | -66.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 107 | A | 39.9 | Very low | 41.5 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -118.3 | 161.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 108 | S | 45.7 | Very low | 41.4 | Very low | 127 Ų | 127 | 116.6 Ų | 116.6 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -161.4 | 145.8 | 143.1 | -82.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 109 | S | 40.2 | Very low | 41 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -139.8 | -174.6 | -173 | -63.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 110 | P | 49.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | -130.5 | -146.8 | -67.4 | 41.5 | -26.5 | 0 | 0 | 0 | 110.3 | |||||
| 111 | S | 38.5 | Very low | 40 | Very low | 124 Ų | 124 | 117.5 Ų | 117.5 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 96.5 | 168.2 | 160.8 | 84.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 112 | S | 34.7 | Very low | 39.7 | Very low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -141.8 | 143.5 | -147.3 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 113 | T | 37.4 | Very low | 39.6 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | trans | -144.9 | 144.3 | 161.7 | 21.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 114 | S | 34.2 | Very low | 39.2 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -85.9 | 157.6 | 165.2 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 115 | T | 35 | Very low | 39 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | -176 | 151.4 | 75.3 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 116 | S | 34.1 | Very low | 38.7 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | 53.8 | 129.8 | 140.8 | 66.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 117 | S | 33.5 | Very low | 39 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 58.6 | 113.6 | 136.4 | 61.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 118 | S | 38.2 | Very low | 39 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 177.7 | 145.6 | 99.6 | -76.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 119 | S | 36.4 | Very low | 38.6 | Very low | 125 Ų | 125 | 121.1 Ų | 121.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -146.1 | 93 | 172.4 | -58 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 120 | S | 39.4 | Very low | 38.5 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -142.3 | 93.7 | -171.9 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 121 | S | 43.9 | Very low | 37.7 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -148.9 | 126.5 | 166.8 | 32 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 122 | R | 38.1 | Very low | 37.6 | Very low | 223 Ų | 223 | 123.6 Ų | 123.6 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | cis | 59.9 | 121.1 | 31.8 | -62.9 | -172.7 | -178.1 | -118.2 | 4.1 | 111.3 | ||||
| 123 | L | 39.6 | Very low | 37.9 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | cis | -156.8 | 163 | 7.6 | -91.2 | 155.7 | 0 | 0 | 0 | 106.8 | ||||
| 124 | A | 37.6 | Very low | 37.7 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | cis | -166.6 | -156.1 | -7.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 125 | S | 39.6 | Very low | 38 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 81.9 | 107.1 | 152.8 | -54.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 126 | S | 35.5 | Very low | 38.1 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -81 | -169.3 | 156.3 | -29.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 127 | P | 48.6 | Very low | 38.1 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -130.7 | -178 | -17.5 | 40 | -24.8 | 0 | 0 | 0 | 113 | ||||
| 128 | T | 40.1 | Very low | 38.3 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -160.7 | 142.5 | 139.5 | -78.8 | 0 | 0 | 0 | 0 | 109.2 | I130 | T128-I130 HydrophobicContact CG2-CG1 4.35Š| ||
| 129 | V | 35.9 | Very low | 38.1 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -111.6 | 135.1 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 130 | I | 39.2 | Very low | 38.2 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -139.7 | 134.6 | 158.4 | 0.4 | 176.3 | 0 | 0 | 0 | 110.9 | T128 | T128-I130 HydrophobicContact CG2-CG1 4.35Š| ||
| 131 | T | 32.2 | Very low | 37.9 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -91 | 143.5 | -172.1 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 132 | S | 36 | Very low | 37.7 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -146.1 | 97.5 | 154 | -71 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 133 | V | 41.7 | Very low | 37.5 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 12.4 | 144.8 | 148.3 | -63.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 134 | S | 33.1 | Very low | 37.7 | Very low | 122 Ų | 122 | 122 Ų | 122 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -103.2 | 125.3 | 161.9 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 135 | S | 39.6 | Very low | 38.2 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -156.4 | 126.2 | 161.2 | -83.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 136 | A | 37.1 | Very low | 38.7 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | cis | 104.2 | 100.3 | 45 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 137 | S | 34.2 | Very low | 39.5 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | 69.1 | 153.3 | 146.6 | 65.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 138 | S | 37.4 | Very low | 38.9 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | 93.3 | 116.2 | 150 | -57.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 139 | S | 35.6 | Very low | 38.9 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -63.4 | 154.2 | 171.6 | -36.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 140 | S | 38.7 | Very low | 39.1 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | -169.4 | 154.8 | 123.1 | -85.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 141 | T | 33.1 | Very low | 39.1 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -64.9 | 143.3 | -177.5 | -33 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 142 | V | 37.9 | Very low | 39.5 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -140.3 | 145.4 | 146.4 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 143 | L | 35.8 | Very low | 39.5 | Very low | 148 Ų | 148 | 121 Ų | 121 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -107.6 | 151.8 | -178.2 | -61.5 | 124 | 0 | 0 | 0 | 112.2 | ||||
| 144 | T | 43.2 | Very low | 39.6 | Very low | 144 Ų | 144 | 118 Ų | 118 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -146.3 | 140.9 | 145.4 | 42 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 145 | P | 48.7 | Very low | 40.3 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -112.1 | 166.9 | -176.5 | 40.5 | -33.8 | 0 | 0 | 0 | 115.1 | ||||
| 146 | G | 49.9 | Very low | 40.4 | Very low | 72 Ų | 72 | 117.8 Ų | 117.8 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -161.2 | 153.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 147 | P | 50.6 | Low | 40.5 | Very low | 120 Ų | 120 | 117 Ų | 117 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -120.8 | 146.7 | -138.7 | 39.5 | -29.4 | 0 | 0 | 0 | 119.2 | ||||
| 148 | L | 36.5 | Very low | 40.9 | Very low | 163 Ų | 163 | 120 Ų | 120 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 33.4 | 118.9 | 132.8 | -52.8 | 176.5 | 0 | 0 | 0 | 122 | ||||
| 149 | V | 41.5 | Very low | 41 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 92% | 0.915 | 82% | 0.816 | S | S | * | * | -177 | 150.6 | 129.4 | -92.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 150 | A | 40.1 | Very low | 41 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | cis | -161.4 | 162.9 | -15.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 151 | S | 38.8 | Very low | 41 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 56 | 127.9 | 159.5 | -56.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 152 | A | 40.9 | Very low | 41.1 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | 71.1 | 129.9 | 51.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 153 | S | 36 | Very low | 41.4 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | cis | -158.4 | 159.6 | -4.5 | -84.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 154 | G | 44.1 | Very low | 41.8 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -158.5 | 135.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 155 | V | 46.5 | Very low | 41.3 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -118.5 | 151.6 | -164.5 | -69.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 156 | G | 41.7 | Very low | 40.9 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 94.8 | 133.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 157 | G | 39.1 | Very low | 40.6 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | 135.5 | 107.5 | -13.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 158 | Q | 42.3 | Very low | 40.8 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -171.5 | 125.2 | 147.9 | -108.6 | 156.2 | 107 | 0 | 0 | 114.1 | ||||
| 159 | Q | 41 | Very low | 41.1 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 67.7 | 153.6 | 143.3 | -63.6 | 178.5 | 25.4 | 0 | 0 | 121.2 | ||||
| 160 | F | 35.5 | Very low | 40.8 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -108.1 | 154 | -167.5 | -73.9 | -116.9 | 0 | 0 | 0 | 111.4 | ||||
| 161 | L | 37.9 | Very low | 40.8 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -152.3 | 112.9 | 131.1 | -114.1 | 171.2 | 0 | 0 | 0 | 110.3 | ||||
| 162 | H | 35.2 | Very low | 40.9 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | -88.1 | 123.9 | 172.3 | -115.7 | -99.6 | 0 | 0 | 0 | 108.9 | I164 | H162-I164 HydrophobicContact CB-CD1 4.49Š| ||
| 163 | I | 45.1 | Very low | 40.7 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | trans | -117.2 | 134.8 | 164.2 | -63.9 | 178.7 | 0 | 0 | 0 | 107.2 | ||||
| 164 | I | 43.7 | Very low | 40.7 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 54% | 0.538 | 79% | 0.789 | S | S | . | * | trans | -134.5 | 137 | -159.7 | -77.3 | 179.2 | 0 | 0 | 0 | 109.9 | H162 | H162-I164 HydrophobicContact CB-CD1 4.49Š| ||
| 165 | H | 33.6 | Very low | 40.1 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | 68 | 164.3 | 166.8 | -66 | -20.3 | 0 | 0 | 0 | 116.8 | ||||
| 166 | P | 40.1 | Very low | 39.6 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -117.3 | 159.2 | 4.1 | 39.8 | -27.7 | 0 | 0 | 0 | 116.3 | ||||
| 167 | V | 42.6 | Very low | 39.2 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 129.3 | 163.8 | 176 | 0 | 0 | 0 | 0 | 108.2 | ||
| 168 | P | 54 | Low | 39.1 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 139.9 | 172.7 | 30.9 | -33.3 | 0 | 0 | 0 | 111 | ||
| 169 | P | 44.5 | Very low | 38.6 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 136.5 | -172.4 | 31 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 170 | S | 35.3 | Very low | 38.2 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 122.7 | 164 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 171 | S | 39.6 | Very low | 37.9 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -145 | 158.2 | 175.8 | -88.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 172 | P | 41.4 | Very low | 37.8 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | -118 | -170.1 | -128.7 | 42.8 | -36.2 | 0 | 0 | 0 | 116.6 | |||||
| 173 | M | 36.2 | Very low | 37.7 | Very low | 160 Ų | 160 | 141 Ų | 141 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -55.5 | 149.7 | -173.9 | -50.1 | 169.1 | 72.9 | 0 | 0 | 115.4 | L175 | M173-L175 HydrophobicContact CE-CD1 4.32Š| ||
| 174 | N | 34.7 | Very low | 37.3 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -146.2 | 163.8 | 130.3 | -139 | -68.2 | 0 | 0 | 0 | 111.6 | ||||
| 175 | L | 32.7 | Very low | 36.8 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | -102.4 | 141.1 | -178.5 | -81.4 | 62 | 0 | 0 | 0 | 109.6 | M173 | M173-L175 HydrophobicContact CE-CD1 4.32Š| ||
| 176 | Q | 36.6 | Very low | 36.9 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | -157 | 120.4 | 138.2 | -116.2 | 164.7 | -1.8 | 0 | 0 | 111.2 | ||||
| 177 | S | 32.4 | Very low | 36.6 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -79.5 | 130.7 | 174.5 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 178 | N | 36 | Very low | 36.2 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -160.8 | 150.7 | 131.3 | -107.7 | -34.7 | 0 | 0 | 0 | 114.5 | ||||
| 179 | K | 33.2 | Very low | 35.2 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -68.9 | 135.2 | 178.2 | -55.3 | 160.9 | 174.6 | 173.1 | 0 | 110.4 | ||||
| 180 | L | 32 | Very low | 34.8 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | -169.3 | 169.9 | 108.2 | -127.9 | 68.7 | 0 | 0 | 0 | 112.8 | |||||
| 181 | S | 30 | Very low | 34.7 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | -83.5 | 127.8 | -172.1 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 182 | H | 34.9 | Very low | 34.6 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -167.2 | 121.7 | 126.2 | -118.5 | -74 | 0 | 0 | 0 | 111.4 | |||||
| 183 | V | 33.4 | Very low | 34.2 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -93.2 | 103.6 | 170.7 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 184 | H | 37.6 | Very low | 34.1 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -81.6 | 117.6 | 171.8 | -150.6 | -74.5 | 0 | 0 | 0 | 109.2 | I186 | H184-I186 PolarHBondContact O-N 3.43Š| ||
| 185 | R | 32.9 | Very low | 34.1 | Very low | 231 Ų | 231 | 144.6 Ų | 144.6 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -69.9 | 131.5 | 173.8 | -76.8 | -179.8 | 172.3 | 156.8 | -2.6 | 109.6 | ||||
| 186 | I | 33.9 | Very low | 34 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | -120.8 | 124 | 165.7 | -60 | 177.5 | 0 | 0 | 0 | 106.4 | H184 | H184-I186 PolarHBondContact O-N 3.43Š| ||
| 187 | P | 34.5 | Very low | 33.7 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -80 | 129.2 | 179.5 | 31.3 | -32.4 | 0 | 0 | 0 | 110.9 | ||||
| 188 | V | 34.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -106.1 | 115.5 | 167.8 | 179.4 | 0 | 0 | 0 | 0 | 108 | V190 | V188-V190 HydrophobicContact CG1-CG2 4.31Š| ||
| 189 | V | 32.6 | Very low | 33.5 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -84 | 119.9 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 190 | V | 37.2 | Very low | 33.5 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -108.3 | 125.6 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | V188 S192 | V188-V190 HydrophobicContact CG1-CG2 4.31Å; V190-S192 PolarHBondContact O-N 2.71Å | ||
| 191 | Q | 32.4 | Very low | 33.4 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -70.2 | 120.3 | -178.7 | -70.1 | 177.4 | -20.9 | 0 | 0 | 110.6 | ||||
| 192 | S | 38.4 | Very low | 33.3 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -91.6 | 108 | 179.6 | -62.2 | 0 | 0 | 0 | 0 | 111 | V190 | V190-S192 PolarHBondContact O-N 2.71Š| ||
| 193 | V | 32.2 | Very low | 33.1 | Very low | 126 Ų | 126 | 138 Ų | 138 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -83.9 | 123.2 | 172.2 | -170.3 | 0 | 0 | 0 | 0 | 109 | V195 | V193-V195 PolarHBondContact O-N 3.38Š| ||
| 194 | P | 34.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -76.3 | 109.1 | -174.3 | 29 | -34 | 0 | 0 | 0 | 112.1 | ||||
| 195 | V | 34.3 | Very low | 32.9 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | trans | -81 | 115.8 | 168.2 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | V193 Y197 | V193-V195 PolarHBondContact O-N 3.38Å; V195-Y197 HydrophobicContact CB-CE2 3.84Å; V195-Y197 HydrophobicContact CG1-CD2 4.26Å; V195-Y197 HydrophobicContact CG1-CE1 4.1Å; V195-Y197 HydrophobicContact CG1-CE2 3.67Å; V195-Y197 VanDerWaalsContact O-CD2 3.25Å; V195-Y197 WeakPolarHBondContact O-CD2 3.47Å | ||
| 196 | V | 31 | Very low | 33.1 | Very low | 132 Ų | 132 | 128 Ų | 128 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -79.8 | 120.4 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 197 | Y | 29.5 | Very low | 33.1 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 60% | 0.596 | 75% | 0.748 | S | S | * | * | trans | -110.5 | 123.9 | 177.2 | -66.3 | -82.8 | 0 | 0 | 0 | 111.4 | V195 V211 | V195-Y197 HydrophobicContact CB-CE2 3.84Å; V195-Y197 HydrophobicContact CG1-CD2 4.26Å; V195-Y197 HydrophobicContact CG1-CE1 4.1Å; V195-Y197 HydrophobicContact CG1-CE2 3.67Å; V195-Y197 VanDerWaalsContact O-CD2 3.25Å; V195-Y197 WeakPolarHBondContact O-CD2 3.47Å; Y197-V211 HydrophobicContact CD1-CG1 4.31Å | ||
| 198 | T | 33.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | -89.2 | 116.9 | 174.9 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 199 | A | 31.7 | Very low | 33.4 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | trans | -96.8 | 102.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | R201 | A199-R201 PolarHBondContact O-N 3.38Š| ||
| 200 | V | 32.1 | Very low | 33.8 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | -85.4 | 105.5 | 176.4 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | S202 | V200-S202 PolarHBondContact O-N 2.67Š| ||
| 201 | R | 30.4 | Very low | 34 | Very low | 238 Ų | 238 | 119.3 Ų | 119.3 | 90% | 0.898 | 70% | 0.699 | S | S | * | * | trans | -82.9 | 99.7 | -174.7 | -168.3 | 174.4 | -171.9 | 157.4 | -0.7 | 112.5 | A199 | A199-R201 PolarHBondContact O-N 3.38Š| ||
| 202 | S | 27.6 | Very low | 34.7 | Very low | 104 Ų | 104 | 113.2 Ų | 113.2 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -78 | 121.7 | 165.4 | -73.3 | 0 | 0 | 0 | 0 | 111 | V200 | V200-S202 PolarHBondContact O-N 2.67Š| ||
| 203 | P | 31.1 | Very low | 34.7 | Very low | 130 Ų | 130 | 111.8 Ų | 111.8 | 84% | 0.844 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -71.9 | 136.5 | 175.5 | 29.1 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 204 | G | 32.6 | Very low | 34.9 | Very low | 84 Ų | 84 | 113.8 Ų | 113.8 | 87% | 0.866 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 138.6 | -1.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 205 | N | 33.7 | Very low | 35.4 | Very low | 100 Ų | 100 | 114 Ų | 114 | 54% | 0.535 | 66% | 0.662 | S | S | . | * | trans | -147.7 | 109.4 | 172.4 | -175.5 | 0.5 | 0 | 0 | 0 | 111.2 | N207 | N205-N207 VanDerWaalsContact C-N 3.34Å; N205-N207 PolarHBondContact O-N 3.49Å; N205-N207 PolarHBondContact OD1-N 3.36Å | ||
| 206 | V | 36.6 | Very low | 35.7 | Very low | 140 Ų | 140 | 118.4 Ų | 118.4 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -6.8 | -173.5 | -69.6 | 0 | 0 | 0 | 0 | 115 | ||
| 207 | N | 34.3 | Very low | 35.8 | Very low | 104 Ų | 104 | 120 Ų | 120 | 56% | 0.556 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -3.2 | -168 | -71.1 | -7 | 0 | 0 | 0 | 116 | N205 | N205-N207 VanDerWaalsContact C-N 3.34Å; N205-N207 PolarHBondContact O-N 3.49Å; N205-N207 PolarHBondContact OD1-N 3.36Å |
| 208 | N | 38.3 | Very low | 36.2 | Very low | 81 Ų | 81 | 116.3 Ų | 116.3 | 43% | 0.433 | 69% | 0.688 | S | S | . | * | trans | -140.1 | 78 | -174.7 | -79.9 | -8.3 | 0 | 0 | 0 | 112.7 | R369 | N208-R369 PolarHBondContact OD1-NH2 2.74Š| ||
| 209 | T | 37.6 | Very low | 36.2 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 82% | 0.816 | 70% | 0.695 | S | S | * | * | trans | -101.5 | 96.2 | 166.6 | -54.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 210 | I | 39.7 | Very low | 36.4 | Very low | 54 Ų | 54 | 121.1 Ų | 121.1 | 28% | 0.277 | 70% | 0.696 | S | S | . | * | trans | -137.2 | 128.2 | 169.5 | -62.8 | -177.9 | 0 | 0 | 0 | 107.2 | T365 Y368 R369 | I210-T365 HydrophobicContact CB-CG2 4.02Å; I210-T365 HydrophobicContact CD1-CG2 3.93Å; I210-T365 HydrophobicContact CG1-CG2 4.38Å; I210-T365 HydrophobicContact CG2-CG2 4.35Å; I210-Y368 HydrophobicContact CG2-CD1 4.47Å; I210-R369 HydrophobicContact CD1-CG 4.09Å | ||
| 211 | V | 41.7 | Very low | 36.5 | Very low | 79 Ų | 79 | 124.2 Ų | 124.2 | 48% | 0.479 | 70% | 0.702 | S | S | . | * | trans | -73.4 | 132.6 | -178.7 | -177 | 0 | 0 | 0 | 0 | 109.7 | Y197 | Y197-V211 HydrophobicContact CD1-CG1 4.31Š| ||
| 212 | V | 47.2 | Very low | 36.8 | Very low | 55 Ų | 55 | 116.3 Ų | 116.3 | 33% | 0.333 | 69% | 0.694 | S | S | . | * | trans | -124 | 138 | 165.6 | -86 | 0 | 0 | 0 | 0 | 108.2 | L214 L364 | V212-L214 PolarHBondContact O-N 3.32Å; V212-L364 HydrophobicContact CG1-CD2 4.05Å; V212-L364 HydrophobicContact CG1-CG 4.49Å | ||
| 213 | P | 38.1 | Very low | 36.9 | Very low | 86 Ų | 86 | 122 Ų | 122 | 56% | 0.558 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 138.6 | 179.9 | -24.3 | 33.9 | 0 | 0 | 0 | 111.9 | L215 | P213-L215 PolarHBondContact O-N 2.87Š|
| 214 | L | 37.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 120.1 Ų | 120.1 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123.6 | 157.4 | -77.6 | 95.7 | 0 | 0 | 0 | 107.7 | V212 | V212-L214 PolarHBondContact O-N 3.32Š|
| 215 | L | 45 | Very low | 37.5 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 62% | 0.623 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 129.6 | 157.2 | -77.5 | 76.3 | 0 | 0 | 0 | 106.3 | P213 | P213-L215 PolarHBondContact O-N 2.87Š|
| 216 | E | 40.1 | Very low | 37.6 | Very low | 191 Ų | 191 | 128.8 Ų | 128.8 | 89% | 0.893 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 138.1 | 178.9 | -61.3 | 178.1 | 108.6 | 0 | 0 | 110.6 | G218 | E216-G218 VanDerWaalsContact C-N 3.3Å; E216-G218 PolarHBondContact O-N 3.47Å |
| 217 | D | 33.6 | Very low | 37.7 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 88% | 0.882 | 72% | 0.717 | S | S | * | * | trans | -73.8 | 80.6 | -178.6 | -91.1 | -53.3 | 0 | 0 | 0 | 111 | R219 | D217-R219 PolarHBondContact O-N 3.25Š| ||
| 218 | G | 37.2 | Very low | 38 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | -58.1 | 101.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | E216 G220 | E216-G218 VanDerWaalsContact C-N 3.3Å; E216-G218 PolarHBondContact O-N 3.47Å; G218-G220 VanDerWaalsContact C-N 3.3Å; G218-G220 PolarHBondContact O-N 3.44Å | ||
| 219 | R | 33.6 | Very low | 37.9 | Very low | 239 Ų | 239 | 138.4 Ų | 138.4 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -78.6 | 68 | -171.5 | -164.9 | -174.3 | -61 | -161.7 | 3.5 | 112.8 | D217 | D217-R219 PolarHBondContact O-N 3.25Š| ||
| 220 | G | 36 | Very low | 37.8 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -90.4 | 112.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G218 | G218-G220 VanDerWaalsContact C-N 3.3Å; G218-G220 PolarHBondContact O-N 3.44Å | ||
| 221 | H | 34.3 | Very low | 37.5 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | trans | -93.2 | 105 | 162.9 | -79.2 | -26.3 | 0 | 0 | 0 | 110 | ||||
| 222 | G | 36.4 | Very low | 37.1 | Very low | 71 Ų | 71 | 142.9 Ų | 142.9 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 124.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A224 | G222-A224 PolarHBondContact O-N 3.49Š| ||
| 223 | K | 31.2 | Very low | 36.5 | Very low | 223 Ų | 223 | 145.7 Ų | 145.7 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -82.3 | 112.3 | 172.2 | -65.8 | 177.2 | -177.4 | 174.2 | 0 | 108.3 | ||||
| 224 | A | 38.1 | Very low | 36.2 | Very low | 92 Ų | 92 | 153.3 Ų | 153.3 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | -115.2 | 131.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G222 | G222-A224 PolarHBondContact O-N 3.49Š| ||
| 225 | Q | 36.4 | Very low | 36.2 | Very low | 192 Ų | 192 | 152.5 Ų | 152.5 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -73.1 | 159.3 | 170.3 | -72.6 | 172 | -32.8 | 0 | 0 | 110 | ||||
| 226 | M | 36.7 | Very low | 36 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -112 | 111.8 | -175.8 | -70.3 | -179.6 | 167.5 | 0 | 0 | 111.1 | P228 | M226-P228 WeakPolarHBondContact O-CD 3.35Š| ||
| 227 | D | 39.6 | Very low | 35.8 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -85.3 | 116.8 | 167.5 | -82.2 | -65.9 | 0 | 0 | 0 | 111.1 | R229 | D227-R229 VanDerWaalsContact C-N 3.32Å; D227-R229 PolarHBondContact O-N 3.34Å | ||
| 228 | P | 40 | Very low | 36.2 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -88.5 | 50.8 | -169.2 | 36.1 | -37.2 | 0 | 0 | 0 | 113.7 | M226 | M226-P228 WeakPolarHBondContact O-CD 3.35Š|
| 229 | R | 36.7 | Very low | 36.4 | Very low | 248 Ų | 248 | 144.5 Ų | 144.5 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -145 | 71.9 | 177.2 | -94.5 | 169.2 | -162 | -159.3 | 3.1 | 113.5 | D227 | D227-R229 VanDerWaalsContact C-N 3.32Å; D227-R229 PolarHBondContact O-N 3.34Å | ||
| 230 | G | 33.6 | Very low | 36.8 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | -139 | 100.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S232 | G230-S232 PolarHBondContact O-N 3.16Š| ||
| 231 | L | 34 | Very low | 37.4 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | trans | -75.8 | 80 | 179.1 | -71.9 | 172.6 | 0 | 0 | 0 | 111.9 | ||||
| 232 | S | 33.6 | Very low | 38.2 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -65.6 | 133.9 | 172.3 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | G230 | G230-S232 PolarHBondContact O-N 3.16Š| ||
| 233 | P | 34.3 | Very low | 39 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | trans | -58.2 | 139.7 | -179.3 | -28.4 | 35.9 | 0 | 0 | 0 | 114.9 | Q235 | P233-Q235 PolarHBondContact O-N 3.09Š| ||
| 234 | R | 31.5 | Very low | 40.1 | Very low | 247 Ų | 247 | 127 Ų | 127 | 93% | 0.932 | 69% | 0.689 | S | S | * | * | trans | -65.2 | 85.6 | 175.7 | -81.9 | -178.9 | 156.2 | -156.2 | -2.5 | 112.4 | ||||
| 235 | Q | 39.2 | Very low | 40.8 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | trans | -119.1 | 30 | 168 | -68.8 | -161.9 | -15.3 | 0 | 0 | 113.3 | P233 K345 | P233-Q235 PolarHBondContact O-N 3.09Å; Q235-K345 WeakPolarHBondContact O-CE 3.35Å; Q235-K345 PolarHBondContact O-NZ 3.22Å | ||
| 236 | S | 39 | Very low | 41.2 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | trans | -115.4 | 35.9 | 174 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | S238 | S236-S238 PolarHBondContact O-N 3.22Š| ||
| 237 | K | 37.1 | Very low | 41.5 | Very low | 178 Ų | 178 | 118.8 Ų | 118.8 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | trans | -68.8 | 105.5 | 149.8 | -87.2 | -170.1 | 172.7 | -173.9 | 0 | 106.9 | D239 | K237-D239 PolarHBondContact O-N 3.21Š| ||
| 238 | S | 41.3 | Very low | 41.3 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | trans | -56.4 | 129.5 | 161.1 | 50.5 | 0 | 0 | 0 | 0 | 108.4 | S236 S240 | S236-S238 PolarHBondContact O-N 3.22Å; S238-S240 PolarHBondContact O-N 2.97Å | ||
| 239 | D | 42.1 | Very low | 41.2 | Very low | 18 Ų | 18 | 114.6 Ų | 114.6 | 10% | 0.096 | 62% | 0.621 | C | S | . | * | trans | 2.9 | 103.2 | 175.7 | -49.2 | -33.8 | 0 | 0 | 0 | 114.3 | K237 D241 R366 | K237-D239 PolarHBondContact O-N 3.21Å; D239-D241 PolarHBondContact O-N 3.29Å; D239-R366 IonicContact OD2-CZ 3.66Å; D239-R366 IonicContact OD2-NE 3.73Å; D239-R366 PolarHBondContact OD2-NE 3.48Å; D239-R366 IonicContact OD2-NH2 3.61Å; D239-R366 PolarHBondContact OD2-NH2 2.76Å | ||
| 240 | S | 42.4 | Very low | 40.9 | Very low | 80 Ų | 80 | 110.6 Ų | 110.6 | 56% | 0.559 | 62% | 0.617 | S | S | * | * | trans | -49 | 124.4 | 155.3 | -55.5 | 0 | 0 | 0 | 0 | 106.4 | S238 D242 | S238-S240 PolarHBondContact O-N 2.97Å; S240-D242 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact O-N 2.83Å | ||
| 241 | D | 47 | Very low | 40.9 | Very low | 114 Ų | 114 | 114 Ų | 114 | 61% | 0.61 | 62% | 0.62 | S | S | * | * | trans | -61.9 | 96.1 | -170.7 | -73.4 | -78.7 | 0 | 0 | 0 | 110.4 | D239 R388 H391 | D239-D241 PolarHBondContact O-N 3.29Å; D241-R388 IonicContact OD1-CZ 3.5Å; D241-R388 IonicContact OD1-NH1 2.87Å; D241-R388 PolarHBondContact OD1-NH1 3.25Å; D241-R388 IonicContact OD1-NH2 3.61Å; D241-H391 IonicContact OD1-CE1 2.82Å; D241-H391 IonicContact OD1-NE2 3.77Å | ||
| 242 | D | 51.3 | Low | 41.1 | Very low | 70 Ų | 70 | 110 Ų | 110 | 37% | 0.374 | 61% | 0.607 | S | S | . | * | trans | -62.9 | 147.9 | -175.5 | -76.9 | -64 | 0 | 0 | 0 | 110.8 | S240 D244 K370 | S240-D242 VanDerWaalsContact C-N 3.33Å; S240-D242 PolarHBondContact O-N 2.83Å; D242-D244 VanDerWaalsContact C-N 3.33Å; D242-D244 PolarHBondContact O-N 3.41Å; D242-K370 WeakPolarHBondContact OD1-CE 3.39Å; D242-K370 IonicContact OD1-NZ 3.15Å; D242-K370 PolarHBondContact OD1-NZ 2.81Å; D242-K370 WeakPolarHBondContact OD2-CD 3.18Å; D242-K370 VanDerWaalsContact OD2-CE 3.27Å; D242-K370 WeakPolarHBondContact OD2-CE 3.24Å; D242-K370 IonicContact OD2-NZ 2.78Å; D242-K370 PolarHBondContact OD2-NZ 2.82Å | ||
| 243 | D | 53.4 | Low | 41.1 | Very low | 136 Ų | 136 | 111.3 Ų | 111.3 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | trans | -54.1 | 86.8 | 178.8 | -71.7 | -80.1 | 0 | 0 | 0 | 113.2 | L245 | D243-L245 HydrophobicContact CB-CD1 3.97Å; D243-L245 HydrophobicContact CB-CG 3.96Å; D243-L245 PolarHBondContact O-N 3.48Å | ||
| 244 | D | 55 | Low | 41.2 | Very low | 30 Ų | 30 | 113 Ų | 113 | 16% | 0.16 | 61% | 0.613 | C | S | . | * | trans | -73.2 | 48 | 162.1 | -131.1 | -26.1 | 0 | 0 | 0 | 109.2 | D242 K375 F386 S387 H391 | D242-D244 VanDerWaalsContact C-N 3.33Å; D242-D244 PolarHBondContact O-N 3.41Å; D244-K375 WeakPolarHBondContact OD1-CD 3Å; D244-K375 WeakPolarHBondContact OD1-CE 3.2Å; D244-K375 IonicContact OD1-NZ 2.66Å; D244-K375 PolarHBondContact OD1-NZ 3.44Å; D244-F386 HydrophobicContact CB-CD1 4.32Å; D244-S387 WeakPolarHBondContact OD2-CB 3.46Å; D244-S387 PolarHBondContact OD2-N 3.35Å; D244-S387 PolarHBondContact OD2-OG 3.2Å; D244-H391 IonicContact OD2-CD2 3.75Å | ||
| 245 | L | 53 | Low | 41.1 | Very low | 111 Ų | 111 | 109.9 Ų | 109.9 | 58% | 0.581 | 61% | 0.609 | S | S | * | * | trans | -53.7 | 136.7 | 174.9 | -84.3 | 166.4 | 0 | 0 | 0 | 108.8 | D243 K375 | D243-L245 HydrophobicContact CB-CD1 3.97Å; D243-L245 HydrophobicContact CB-CG 3.96Å; D243-L245 PolarHBondContact O-N 3.48Å; L245-K375 PolarHBondContact O-NZ 2.9Å | ||
| 246 | P | 45.2 | Very low | 41 | Very low | 35 Ų | 35 | 109.8 Ų | 109.8 | 23% | 0.227 | 62% | 0.619 | C | S | . | * | trans | -65.6 | 138.8 | 175.5 | 31.4 | -36 | 0 | 0 | 0 | 108.8 | V248 R384 | P246-V248 VanDerWaalsContact C-N 3.35Å; P246-V248 HydrophobicContact CG-CG1 4.48Å; P246-V248 PolarHBondContact O-N 2.7Å; P246-R384 HydrophobicContact CB-CG 3.91Å | ||
| 247 | N | 43.1 | Very low | 40.8 | Very low | 140 Ų | 140 | 108.4 Ų | 108.4 | 75% | 0.749 | 62% | 0.62 | S | S | * | * | trans | -67.2 | 98.6 | 165.2 | -174 | 45.8 | 0 | 0 | 0 | 108.2 | T249 | N247-T249 WeakPolarHBondContact ND2-CG2 3.38Š| ||
| 248 | V | 34.4 | Very low | 40.5 | Very low | 105 Ų | 105 | 106.2 Ų | 106.2 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | trans | -95.3 | 103.8 | 164 | -74.4 | 0 | 0 | 0 | 0 | 106.6 | P246 L250 | P246-V248 VanDerWaalsContact C-N 3.35Å; P246-V248 HydrophobicContact CG-CG1 4.48Å; P246-V248 PolarHBondContact O-N 2.7Å; V248-L250 PolarHBondContact O-N 3.28Å | ||
| 249 | T | 37.5 | Very low | 40.3 | Very low | 86 Ų | 86 | 108.3 Ų | 108.3 | 53% | 0.528 | 64% | 0.636 | S | S | . | * | trans | -70.1 | 119.1 | 175 | 54.1 | 0 | 0 | 0 | 0 | 108.3 | N247 D251 | N247-T249 WeakPolarHBondContact ND2-CG2 3.38Å; T249-D251 WeakPolarHBondContact CB-OD2 3.16Å; T249-D251 PolarHBondContact O-N 2.9Å; T249-D251 PolarHBondContact OG1-OD2 3.17Å | ||
| 250 | L | 30.7 | Very low | 39.9 | Very low | 163 Ų | 163 | 112.7 Ų | 112.7 | 85% | 0.853 | 68% | 0.675 | S | S | * | * | trans | -80.5 | 60.7 | 171.8 | -82.3 | 169 | 0 | 0 | 0 | 109.3 | V248 S252 | V248-L250 PolarHBondContact O-N 3.28Å; L250-S252 PolarHBondContact O-N 3.07Å; L250-S252 PolarHBondContact O-OG 3.37Å | ||
| 251 | D | 34.3 | Very low | 39.8 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | trans | -67.7 | 113.7 | 172.7 | -68.3 | -58.9 | 0 | 0 | 0 | 108.4 | T249 | T249-D251 WeakPolarHBondContact CB-OD2 3.16Å; T249-D251 PolarHBondContact O-N 2.9Å; T249-D251 PolarHBondContact OG1-OD2 3.17Å | ||
| 252 | S | 38 | Very low | 39.2 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | trans | -88.1 | 134.7 | -169.6 | -65.2 | 0 | 0 | 0 | 0 | 111 | L250 N254 | L250-S252 PolarHBondContact O-N 3.07Å; L250-S252 PolarHBondContact O-OG 3.37Å; S252-N254 PolarHBondContact O-N 3.44Å | ||
| 253 | V | 32.6 | Very low | 38.5 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | trans | -2.5 | 98.3 | 163.1 | -75 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 254 | N | 36.5 | Very low | 37.7 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -120.6 | 74 | 158.1 | 61.1 | -20.4 | 0 | 0 | 0 | 110.2 | S252 T256 | S252-N254 PolarHBondContact O-N 3.44Å; N254-T256 PolarHBondContact O-N 2.95Å | ||
| 255 | E | 31.3 | Very low | 36.7 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -61.1 | 103.6 | 164.8 | -66.2 | -174.5 | 113.3 | 0 | 0 | 109.8 | ||||
| 256 | T | 36.3 | Very low | 35.8 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | trans | 163.4 | 135 | 149.2 | 30.5 | 0 | 0 | 0 | 0 | 109.2 | N254 | N254-T256 PolarHBondContact O-N 2.95Š| ||
| 257 | G | 35.5 | Very low | 35.7 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | 137.1 | 59.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | T259 | G257-T259 VanDerWaalsContact C-N 3.27Å; G257-T259 PolarHBondContact O-N 3.1Å | ||
| 258 | S | 30.4 | Very low | 35.6 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 92% | 0.923 | 81% | 0.811 | S | S | * | * | trans | -71.6 | 69.5 | 173.6 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 259 | T | 37.3 | Very low | 35.5 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -155.2 | 86 | 170.1 | 45.1 | 0 | 0 | 0 | 0 | 112.8 | G257 | G257-T259 VanDerWaalsContact C-N 3.27Å; G257-T259 PolarHBondContact O-N 3.1Å | ||
| 260 | A | 33.2 | Very low | 35.7 | Very low | 109 Ų | 109 | 141 Ų | 141 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | trans | -140.9 | 6.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 261 | L | 39.9 | Very low | 36.1 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -116.4 | 85.2 | -173.7 | -157.5 | 157.1 | 0 | 0 | 0 | 109.2 | ||
| 262 | S | 34 | Very low | 36.7 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -172.2 | -26.7 | 168.8 | -87.1 | 0 | 0 | 0 | 0 | 117.5 | ||
| 263 | I | 37.2 | Very low | 36.8 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -112 | 86.2 | -162.6 | -49.3 | -179.2 | 0 | 0 | 0 | 113.3 | ||||
| 264 | A | 36.6 | Very low | 37.1 | Very low | 100 Ų | 100 | 139 Ų | 139 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -169 | 86.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 265 | R | 33.8 | Very low | 37.3 | Very low | 252 Ų | 252 | 139 Ų | 139 | 95% | 0.951 | 83% | 0.826 | S | S | * | * | trans | -123.5 | 151.8 | 165.1 | -109.5 | -179.5 | 173.6 | 155.6 | -2 | 108.7 | ||||
| 266 | A | 33.5 | Very low | 37.5 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | 68.1 | 87.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 267 | V | 44 | Very low | 37.3 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 92% | 0.915 | 82% | 0.822 | S | S | * | * | trans | -129.6 | 144.1 | 139.1 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 268 | Q | 41 | Very low | 37.5 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 77% | 0.771 | 83% | 0.83 | S | S | * | * | trans | -71.7 | 144.7 | -163.6 | -146.9 | 79.9 | -6.5 | 0 | 0 | 115.1 | V270 | Q268-V270 PolarHBondContact O-N 2.85Š| ||
| 269 | E | 33.3 | Very low | 37.7 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 66% | 0.659 | 83% | 0.83 | S | S | * | * | trans | -5 | 108.2 | 148.3 | -61.8 | -71.4 | 122.1 | 0 | 0 | 117.9 | H271 | E269-H271 IonicContact OE2-CD2 3.69Å; E269-H271 IonicContact OE2-NE2 3.66Å | ||
| 270 | V | 41.3 | Very low | 37.4 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -144.4 | 104.1 | 146 | -175 | 0 | 0 | 0 | 0 | 109.7 | Q268 P272 | Q268-V270 PolarHBondContact O-N 2.85Å; V270-P272 WeakPolarHBondContact O-CD 3.23Å | ||
| 271 | H | 38.5 | Very low | 37.5 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 68% | 0.681 | 82% | 0.822 | S | S | * | * | trans | -81.8 | 125.4 | 173.8 | -74.4 | -81.3 | 0 | 0 | 0 | 112.2 | E269 S273 | E269-H271 IonicContact OE2-CD2 3.69Å; E269-H271 IonicContact OE2-NE2 3.66Å; H271-S273 PolarHBondContact O-N 3.08Å | ||
| 272 | P | 46.4 | Very low | 37.4 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -78.3 | 106.8 | 158.9 | 30.6 | -30.3 | 0 | 0 | 0 | 109.7 | V270 | V270-P272 WeakPolarHBondContact O-CD 3.23Š| ||
| 273 | S | 40.9 | Very low | 37.6 | Very low | 97 Ų | 97 | 155 Ų | 155 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | trans | -62 | 148.5 | -174.5 | -54.9 | 0 | 0 | 0 | 0 | 114.3 | H271 V275 | H271-S273 PolarHBondContact O-N 3.08Å; S273-V275 PolarHBondContact O-N 3.13Å | ||
| 274 | P | 37.9 | Very low | 37.6 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | trans | -72.7 | 122.4 | 177.4 | 29.9 | -34.2 | 0 | 0 | 0 | 111.4 | S276 | P274-S276 PolarHBondContact O-N 2.95Š| ||
| 275 | V | 41.5 | Very low | 37.5 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -83.8 | 115.8 | 177.9 | -161.8 | 0 | 0 | 0 | 0 | 110.1 | S273 | S273-V275 PolarHBondContact O-N 3.13Š| ||
| 276 | S | 35.6 | Very low | 37.5 | Very low | 104 Ų | 104 | 152.6 Ų | 152.6 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -64.3 | 151.6 | -169.8 | -63.8 | 0 | 0 | 0 | 0 | 115.4 | P274 V278 | P274-S276 PolarHBondContact O-N 2.95Å; S276-V278 PolarHBondContact O-N 3.22Å | ||
| 277 | R | 31.9 | Very low | 37.6 | Very low | 252 Ų | 252 | 157.3 Ų | 157.3 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | trans | -55.5 | 124.5 | 164.5 | -73.9 | 175.1 | 170.7 | 154.4 | -3.9 | 110.5 | ||||
| 278 | V | 40.6 | Very low | 37 | Very low | 142 Ų | 142 | 160 Ų | 160 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -108.8 | 128.3 | 158.2 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | S276 | S276-V278 PolarHBondContact O-N 3.22Š| ||
| 279 | R | 32.9 | Very low | 36.7 | Very low | 246 Ų | 246 | 157.3 Ų | 157.3 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -105.1 | 105.9 | -169.3 | -175.8 | -174 | -173.8 | -172.9 | 2.9 | 111 | ||||
| 280 | G | 30.8 | Very low | 36.8 | Very low | 62 Ų | 62 | 156 Ų | 156 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | trans | 83.7 | 125.1 | 161 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 281 | N | 36.4 | Very low | 36.6 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | -151.8 | 157.2 | 111.1 | -106.8 | -25 | 0 | 0 | 0 | 111.1 | |||||
| 282 | R | 37.5 | Very low | 37.1 | Very low | 240 Ų | 240 | 153 Ų | 153 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -121.1 | 89.9 | -162.9 | -178.2 | -162.1 | -163.1 | 179.7 | 7 | 110.5 | ||||
| 283 | M | 39.1 | Very low | 36.7 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -143.6 | 105.3 | -178.6 | -98.3 | 151.4 | 164.7 | 0 | 0 | 114.1 | ||||
| 284 | N | 35.8 | Very low | 37.1 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 53.8 | 142.9 | 137.9 | -147.4 | 0.1 | 0 | 0 | 0 | 121.9 | Q286 | N284-Q286 PolarHBondContact O-N 3.36Š| ||
| 285 | N | 34.5 | Very low | 37.1 | Very low | 162 Ų | 162 | 155.5 Ų | 155.5 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -72.9 | 86.7 | -178.7 | -78.4 | -36 | 0 | 0 | 0 | 113 | ||||
| 286 | Q | 35.2 | Very low | 37.6 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -134.5 | 108.9 | 165.9 | -64.4 | -163.8 | 32 | 0 | 0 | 113.4 | N284 | N284-Q286 PolarHBondContact O-N 3.36Š| ||
| 287 | K | 35.2 | Very low | 38.4 | Very low | 197 Ų | 197 | 151.2 Ų | 151.2 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | 43.7 | 85.2 | 149 | -166.1 | 120.1 | 175 | -171.5 | 0 | 117.6 | P289 | K287-P289 VanDerWaalsContact O-CD 3.26Å; K287-P289 WeakPolarHBondContact O-CD 3.49Å | ||
| 288 | F | 30.3 | Very low | 39.3 | Very low | 207 Ų | 207 | 146.9 Ų | 146.9 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 122.6 | 165.4 | -66.5 | -82.3 | 0 | 0 | 0 | 112.4 | ||
| 289 | P | 35 | Very low | 39.8 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 147.3 | 157.2 | 35.3 | -30 | 0 | 0 | 0 | 109.9 | K287 | K287-P289 VanDerWaalsContact O-CD 3.26Å; K287-P289 WeakPolarHBondContact O-CD 3.49Å |
| 290 | C | 36.3 | Very low | 40.8 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -82 | 118.5 | 171.1 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | I292 | C290-I292 HydrophobicContact CB-CD1 4.46Å; C290-I292 HydrophobicContact CB-CG1 4.14Å; C290-I292 PolarHBondContact O-N 2.8Å |
| 291 | S | 37 | Very low | 42.2 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 90% | 0.895 | 72% | 0.718 | S | S | * | * | trans | -71.1 | 71.3 | 174.6 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 292 | I | 48.4 | Very low | 43.1 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 48% | 0.477 | 71% | 0.712 | S | S | . | * | trans | -80.4 | 132.9 | 173.2 | -55.4 | 177.5 | 0 | 0 | 0 | 108.4 | C290 | C290-I292 HydrophobicContact CB-CD1 4.46Å; C290-I292 HydrophobicContact CB-CG1 4.14Å; C290-I292 PolarHBondContact O-N 2.8Å | ||
| 293 | S | 37.6 | Very low | 43.9 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | trans | -62.3 | 155.9 | 178.8 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | F295 S296 | S293-F295 PolarHBondContact O-N 3.42Å; S293-S296 PolarHBondContact O-N 3.26Å | ||
| 294 | P | 48.7 | Very low | 44.6 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -0.5 | -172.4 | 24.3 | -34.8 | 0 | 0 | 0 | 115.9 | S296 I297 | P294-S296 PolarHBondContact O-N 3.36Å; P294-I297 WeakPolarHBondContact O-CG1 3.28Å |
| 295 | F | 39.6 | Very low | 45.5 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 90% | 0.895 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -4.1 | 173.7 | -104 | -90.6 | 0 | 0 | 0 | 114.8 | S293 | S293-F295 PolarHBondContact O-N 3.42Š|
| 296 | S | 51.1 | Low | 46.5 | Very low | 29 Ų | 29 | 134 Ų | 134 | 20% | 0.203 | 66% | 0.663 | C | S | . | * | trans | -99.2 | 25.8 | -166.9 | -152.9 | 0 | 0 | 0 | 0 | 115 | S293 P294 E298 S299 | S293-S296 PolarHBondContact O-N 3.26Å; P294-S296 PolarHBondContact O-N 3.36Å; S296-E298 PolarHBondContact O-N 2.94Å; S296-S299 VanDerWaalsContact O-CB 3.24Å; S296-S299 WeakPolarHBondContact O-CB 3.31Å; S296-S299 PolarHBondContact O-N 3.21Å; S296-S299 VanDerWaalsContact O-N 3.12Å; S296-S299 PolarHBondContact O-OG 3.39Å; S296-S299 WeakPolarHBondContact OG-CB 3.38Å; S296-S299 PolarHBondContact OG-OG 3.03Å | ||
| 297 | I | 52.4 | Low | 47.3 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 68% | 0.677 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -42 | -170.3 | -51.6 | -178.5 | 0 | 0 | 0 | 112.1 | P294 S299 T300 | P294-I297 WeakPolarHBondContact O-CG1 3.28Å; I297-S299 VanDerWaalsContact C-N 3.3Å; I297-S299 PolarHBondContact O-N 3.33Å; I297-T300 WeakPolarHBondContact O-CB 3.24Å; I297-T300 VanDerWaalsContact O-CG2 3.24Å; I297-T300 WeakPolarHBondContact O-CG2 3.37Å; I297-T300 PolarHBondContact O-N 2.89Å; I297-T300 PolarHBondContact O-OG1 3.23Å |
| 298 | E | 51.2 | Low | 48.3 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -28.6 | 176.1 | -175 | 54.3 | -147.3 | 0 | 0 | 112.7 | S296 T300 | S296-E298 PolarHBondContact O-N 2.94Å; E298-T300 PolarHBondContact O-N 2.96Å |
| 299 | S | 51.2 | Low | 49.7 | Very low | 48 Ų | 48 | 119.2 Ų | 119.2 | 34% | 0.336 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -25.5 | 177 | -50.1 | 0 | 0 | 0 | 0 | 112.7 | S296 I297 R301 R302 Q303 | S296-S299 VanDerWaalsContact O-CB 3.24Å; S296-S299 WeakPolarHBondContact O-CB 3.31Å; S296-S299 PolarHBondContact O-N 3.21Å; S296-S299 VanDerWaalsContact O-N 3.12Å; S296-S299 PolarHBondContact O-OG 3.39Å; S296-S299 WeakPolarHBondContact OG-CB 3.38Å; S296-S299 PolarHBondContact OG-OG 3.03Å; I297-S299 VanDerWaalsContact C-N 3.3Å; I297-S299 PolarHBondContact O-N 3.33Å; S299-R301 PolarHBondContact O-N 2.83Å; S299-R301 VanDerWaalsContact O-N 3.17Å; S299-R302 PolarHBondContact O-N 3.22Å; S299-Q303 PolarHBondContact O-N 2.79Å |
| 300 | T | 54.3 | Low | 50.7 | Low | 62 Ų | 62 | 119.7 Ų | 119.7 | 38% | 0.38 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -56.9 | -34.5 | -173.5 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | I297 E298 R302 Q303 R304 | I297-T300 WeakPolarHBondContact O-CB 3.24Å; I297-T300 VanDerWaalsContact O-CG2 3.24Å; I297-T300 WeakPolarHBondContact O-CG2 3.37Å; I297-T300 PolarHBondContact O-N 2.89Å; I297-T300 PolarHBondContact O-OG1 3.23Å; E298-T300 PolarHBondContact O-N 2.96Å; T300-R302 VanDerWaalsContact C-N 3.33Å; T300-R302 PolarHBondContact O-N 3.45Å; T300-Q303 PolarHBondContact O-N 3.06Å; T300-R304 WeakPolarHBondContact O-CB 3.25Å; T300-R304 VanDerWaalsContact O-CG 3.28Å; T300-R304 WeakPolarHBondContact O-CG 3.34Å; T300-R304 PolarHBondContact O-N 2.89Å |
| 301 | R | 58.6 | Low | 51.7 | Low | 207 Ų | 207 | 117 Ų | 117 | 78% | 0.781 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.4 | -26.5 | 179 | -152.9 | 175.2 | -167.4 | 179.2 | 4.2 | 112.7 | S299 | S299-R301 PolarHBondContact O-N 2.83Å; S299-R301 VanDerWaalsContact O-N 3.17Å |
| 302 | R | 55.6 | Low | 52.6 | Low | 211 Ų | 211 | 120.8 Ų | 120.8 | 80% | 0.796 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -82.1 | -42.2 | 171.6 | -62.6 | -173.5 | -179.4 | -147.7 | -0.2 | 111.1 | S299 T300 R305 S306 | S299-R302 PolarHBondContact O-N 3.22Å; T300-R302 VanDerWaalsContact C-N 3.33Å; T300-R302 PolarHBondContact O-N 3.45Å; R302-R305 WeakPolarHBondContact O-CB 3.49Å; R302-R305 PolarHBondContact O-N 2.97Å; R302-S306 PolarHBondContact O-N 3.36Å |
| 303 | Q | 55.9 | Low | 53.1 | Low | 58 Ų | 58 | 125.1 Ų | 125.1 | 27% | 0.271 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.5 | -50.2 | 175.8 | -90.2 | -175.3 | -112.4 | 0 | 0 | 112.9 | S299 T300 R305 S306 E307 | S299-Q303 PolarHBondContact O-N 2.79Å; T300-Q303 PolarHBondContact O-N 3.06Å; Q303-R305 PolarHBondContact O-N 2.7Å; Q303-R305 VanDerWaalsContact O-N 3.07Å; Q303-S306 WeakPolarHBondContact CA-OG 3.37Å; Q303-S306 CarbonylContact O-C 3.29Å; Q303-S306 WeakPolarHBondContact O-CA 3.4Å; Q303-S306 PolarHBondContact O-N 2.61Å; Q303-S306 PolarHBondContact O-OG 2.85Å; Q303-E307 VanDerWaalsContact C-OE2 3.3Å; Q303-E307 WeakPolarHBondContact CB-OE1 3.45Å; Q303-E307 PolarHBondContact NE2-OE1 3.44Å; Q303-E307 WeakPolarHBondContact O-CB 3.35Å; Q303-E307 VanDerWaalsContact O-CG 3.25Å; Q303-E307 WeakPolarHBondContact O-CG 3.21Å; Q303-E307 PolarHBondContact O-N 3.09Å |
| 304 | R | 52.2 | Low | 54.4 | Low | 191 Ų | 191 | 130.5 Ų | 130.5 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.5 | -25.4 | 177.9 | -73.1 | 173 | -178.2 | -110.3 | 4.6 | 113.4 | T300 E307 | T300-R304 WeakPolarHBondContact O-CB 3.25Å; T300-R304 VanDerWaalsContact O-CG 3.28Å; T300-R304 WeakPolarHBondContact O-CG 3.34Å; T300-R304 PolarHBondContact O-N 2.89Å; R304-E307 WeakPolarHBondContact CA-OE2 3.38Å; R304-E307 PolarHBondContact N-OE2 2.53Å |
| 305 | R | 54.3 | Low | 55.6 | Low | 212 Ų | 212 | 134.2 Ų | 134.2 | 80% | 0.8 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.5 | -29 | 171.4 | -93.8 | -169.2 | 171.6 | -154.7 | -1.2 | 113.9 | R302 Q303 S311 | R302-R305 WeakPolarHBondContact O-CB 3.49Å; R302-R305 PolarHBondContact O-N 2.97Å; Q303-R305 PolarHBondContact O-N 2.7Å; Q303-R305 VanDerWaalsContact O-N 3.07Å; R305-S311 PolarHBondContact O-OG 2.85Å |
| 306 | S | 57.1 | Low | 57.8 | Low | 84 Ų | 84 | 129.5 Ų | 129.5 | 59% | 0.587 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -85.3 | -21 | 172.5 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | R302 Q303 | R302-S306 PolarHBondContact O-N 3.36Å; Q303-S306 WeakPolarHBondContact CA-OG 3.37Å; Q303-S306 CarbonylContact O-C 3.29Å; Q303-S306 WeakPolarHBondContact O-CA 3.4Å; Q303-S306 PolarHBondContact O-N 2.61Å; Q303-S306 PolarHBondContact O-OG 2.85Å |
| 307 | E | 51.6 | Low | 59.6 | Low | 115 Ų | 115 | 130 Ų | 130 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -87.4 | -8.1 | -177.1 | -70.6 | 157.1 | 176 | 0 | 0 | 113.3 | Q303 R304 | Q303-E307 VanDerWaalsContact C-OE2 3.3Å; Q303-E307 WeakPolarHBondContact CB-OE1 3.45Å; Q303-E307 PolarHBondContact NE2-OE1 3.44Å; Q303-E307 WeakPolarHBondContact O-CB 3.35Å; Q303-E307 VanDerWaalsContact O-CG 3.25Å; Q303-E307 WeakPolarHBondContact O-CG 3.21Å; Q303-E307 PolarHBondContact O-N 3.09Å; R304-E307 WeakPolarHBondContact CA-OE2 3.38Å; R304-E307 PolarHBondContact N-OE2 2.53Å |
| 308 | S | 56 | Low | 61.4 | Low | 51 Ų | 51 | 131.6 Ų | 131.6 | 36% | 0.357 | 59% | 0.59 | S | S | . | * | trans | -60.6 | 130 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | D310 S311 | S308-D310 PolarHBondContact O-N 2.82Å; S308-D310 VanDerWaalsContact O-N 3.1Å; S308-S311 VanDerWaalsContact O-CB 3.31Å; S308-S311 WeakPolarHBondContact O-CB 3.5Å; S308-S311 PolarHBondContact O-N 3.41Å; S308-S311 PolarHBondContact O-OG 3.3Å | ||
| 309 | P | 59 | Low | 63.3 | Low | 98 Ų | 98 | 124.7 Ų | 124.7 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -17.9 | -174 | 25.1 | -34.1 | 0 | 0 | 0 | 114.4 | R312 | P309-R312 PolarHBondContact O-NE 3.3Å; P309-R312 VanDerWaalsContact O-NE 3.08Å; P309-R312 PolarHBondContact O-NH2 3.45Å; P309-R312 VanDerWaalsContact O-NH2 3.13Å |
| 310 | D | 57.4 | Low | 65.2 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -23.4 | 173.4 | -178.8 | 49.3 | 0 | 0 | 0 | 112.9 | S308 R312 K313 | S308-D310 PolarHBondContact O-N 2.82Å; S308-D310 VanDerWaalsContact O-N 3.1Å; D310-R312 PolarHBondContact O-N 2.89Å; D310-K313 PolarHBondContact O-N 3.12Å |
| 311 | S | 55.6 | Low | 66.8 | Low | 57 Ų | 57 | 130.4 Ų | 130.4 | 40% | 0.399 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -2.4 | -179.7 | -61.6 | 0 | 0 | 0 | 0 | 115 | R305 S308 K313 | R305-S311 PolarHBondContact O-OG 2.85Å; S308-S311 VanDerWaalsContact O-CB 3.31Å; S308-S311 WeakPolarHBondContact O-CB 3.5Å; S308-S311 PolarHBondContact O-N 3.41Å; S308-S311 PolarHBondContact O-OG 3.3Å; S311-K313 VanDerWaalsContact C-N 3.27Å |
| 312 | R | 56.3 | Low | 68.2 | Low | 209 Ų | 209 | 128.9 Ų | 128.9 | 79% | 0.789 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -26.3 | 164.9 | -77 | 177.5 | -70.3 | 173.9 | -0.6 | 112.9 | P309 D310 R314 | P309-R312 PolarHBondContact O-NE 3.3Å; P309-R312 VanDerWaalsContact O-NE 3.08Å; P309-R312 PolarHBondContact O-NH2 3.45Å; P309-R312 VanDerWaalsContact O-NH2 3.13Å; D310-R312 PolarHBondContact O-N 2.89Å; R312-R314 PolarHBondContact O-N 3.26Å |
| 313 | K | 58.6 | Low | 69.8 | Low | 184 Ų | 184 | 122.2 Ų | 122.2 | 80% | 0.8 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -78.6 | 63 | 172.2 | -154 | 169.3 | -170.1 | 174.3 | 0 | 110.4 | D310 S311 R315 | D310-K313 PolarHBondContact O-N 3.12Å; S311-K313 VanDerWaalsContact C-N 3.27Å; K313-R315 PolarHBondContact O-N 3.03Å; K313-R315 VanDerWaalsContact O-N 3.09Å |
| 314 | R | 65.2 | Low | 71.4 | Confident | 190 Ų | 190 | 120.1 Ų | 120.1 | 72% | 0.717 | 57% | 0.568 | S | S | * | * | trans | -46.1 | 117.7 | 177.7 | -79.8 | -173.9 | 168.9 | -169.5 | -1.7 | 109.3 | R312 I316 | R312-R314 PolarHBondContact O-N 3.26Å; R314-I316 PolarHBondContact O-N 2.79Å | ||
| 315 | R | 73.8 | Confident | 73.2 | Confident | 198 Ų | 198 | 118.4 Ų | 118.4 | 75% | 0.747 | 57% | 0.573 | S | S | * | * | trans | -66.6 | 105.1 | 178.5 | -172.2 | 174.9 | -73.5 | -149.2 | -0.9 | 109 | K313 H317 | K313-R315 PolarHBondContact O-N 3.03Å; K313-R315 VanDerWaalsContact O-N 3.09Å; R315-H317 PolarHBondContact O-CD2 2.96Å | ||
| 316 | I | 86.7 | Confident | 74.9 | Confident | 104 Ų | 104 | 113.6 Ų | 113.6 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | trans | -78.8 | 130.9 | 176.6 | -67 | 178.5 | 0 | 0 | 0 | 108.5 | R314 R318 V327 | R314-I316 PolarHBondContact O-N 2.79Å; I316-R318 HydrophobicContact CG2-CG 4.32Å; I316-V327 HydrophobicContact CG2-CG1 3.25Å | ||
| 317 | H | 87.8 | Confident | 76.6 | Confident | 40 Ų | 40 | 113.1 Ų | 113.1 | 19% | 0.185 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 102.1 | -178.7 | -70.7 | -78.4 | 0 | 0 | 0 | 108.9 | R315 Y328 S331 L334 | R315-H317 PolarHBondContact O-CD2 2.96Å; H317-Y328 PolarHBondContact N-O 3.23Å; H317-Y328 PolarHBondContact O-N 2.84Å; H317-S331 PolarHBondContact CD2-N 2.88Å; H317-S331 VanDerWaalsContact CD2-N 3.34Å; H317-S331 PolarHBondContact NE2-N 2.99Å; H317-L334 HydrophobicContact CB-CB 3.97Å; H317-L334 HydrophobicContact CB-CD2 3.84Å; H317-L334 HydrophobicContact CB-CG 4.49Å |
| 318 | R | 91.1 | Very high | 78.4 | Confident | 166 Ų | 166 | 110.3 Ų | 110.3 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 161.1 | 176.8 | -58.8 | -176.6 | -177.3 | -92 | 2.2 | 110.2 | I316 V327 L334 | I316-R318 HydrophobicContact CG2-CG 4.32Å; R318-V327 HydrophobicContact CG-CG2 4.33Å; R318-L334 VanDerWaalsContact O-CD1 3.23Å; R318-L334 WeakPolarHBondContact O-CD1 3.48Å; R318-L334 WeakPolarHBondContact O-CD2 3.49Å |
| 319 | C | 91.9 | Very high | 79.9 | Confident | 15 Ų | 15 | 112.2 Ų | 112.2 | 10% | 0.101 | 55% | 0.547 | C | S | . | . | trans | -85.3 | 133.8 | 168.3 | -162.9 | 0 | 0 | 0 | 0 | 111 | F321 C324 K326 L334 H337 H341 | C319-F321 VanDerWaalsContact C-N 3.25Å; C319-F321 PolarHBondContact O-N 2.79Å; C319-C324 HydrophobicContact CB-CB 4.23Å; C319-K326 PolarHBondContact N-O 3.42Å; C319-L334 HydrophobicContact CB-CD1 4.2Å; C319-H337 PolarHBondContact SG-NE2 3.3Å; C319-H337 VanDerWaalsContact SG-NE2 3.44Å; C319-H341 VanDerWaalsContact SG-CD2 3.57Å; C319-H341 PolarHBondContact SG-NE2 2.89Å | ||
| 320 | D | 90.3 | Very high | 81.2 | Confident | 120 Ų | 120 | 113.1 Ų | 113.1 | 64% | 0.642 | 54% | 0.54 | S | S | * | . | trans | -92 | 27 | -178.6 | -30.2 | -66.6 | 0 | 0 | 0 | 111.9 | R338 | D320-R338 IonicContact OD2-NH1 3.56Š| ||
| 321 | F | 88.2 | Confident | 82.7 | Confident | 109 Ų | 109 | 111 Ų | 111 | 48% | 0.478 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -113.2 | 131.8 | -175.8 | -173.4 | -85.9 | 0 | 0 | 0 | 109.6 | C319 G323 C324 H341 | C319-F321 VanDerWaalsContact C-N 3.25Å; C319-F321 PolarHBondContact O-N 2.79Å; F321-G323 PolarHBondContact O-N 3.12Å; F321-C324 HydrophobicContact CB-CB 4.15Å; F321-C324 HydrophobicContact CD1-CB 4.24Å; F321-C324 WeakPolarHBondContact O-CA 3.2Å; F321-C324 VanDerWaalsContact O-CB 3.22Å; F321-C324 WeakPolarHBondContact O-CB 3.28Å; F321-C324 PolarHBondContact O-N 3.4Å; F321-H341 AromaticContact CD1-CE1 3.86Å; F321-H341 AromaticContact CD1-CG 3.95Å; F321-H341 AromaticContact CD1-ND1 3.61Å; F321-H341 HydrophobicContact CD2-CB 3.77Å; F321-H341 AromaticContact CD2-CG 3.87Å; F321-H341 AromaticContact CE1-ND1 3.87Å; F321-H341 HydrophobicContact CE2-CB 3.92Å; F321-H341 HydrophobicContact CG-CB 4.13Å; F321-H341 AromaticContact CG-CD2 3.77Å; F321-H341 AromaticContact CG-CG 3.69Å; F321-H341 AromaticContact CG-ND1 3.87Å; F321-H341 HydrophobicContact CZ-CB 4.41Å |
| 322 | E | 87.9 | Confident | 84.2 | Confident | 176 Ų | 176 | 111.6 Ų | 111.6 | 82% | 0.822 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 134.4 | -174.4 | -71.8 | -54.7 | 141.6 | 0 | 0 | 113.1 | C324 | E322-C324 PolarHBondContact O-N 3.49Š|
| 323 | G | 89 | Confident | 85.7 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 73% | 0.732 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -4.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | F321 N325 | F321-G323 PolarHBondContact O-N 3.12Å; G323-N325 PolarHBondContact O-N 2.92Å |
| 324 | C | 89.3 | Confident | 87.2 | Confident | 13 Ų | 13 | 98.1 Ų | 98.1 | 9% | 0.088 | 49% | 0.488 | C | S | . | . | trans | -95.3 | 82 | -175.2 | -158.3 | 0 | 0 | 0 | 0 | 114.5 | C319 F321 E322 K326 H337 H341 | C319-C324 HydrophobicContact CB-CB 4.23Å; F321-C324 HydrophobicContact CB-CB 4.15Å; F321-C324 HydrophobicContact CD1-CB 4.24Å; F321-C324 WeakPolarHBondContact O-CA 3.2Å; F321-C324 VanDerWaalsContact O-CB 3.22Å; F321-C324 WeakPolarHBondContact O-CB 3.28Å; F321-C324 PolarHBondContact O-N 3.4Å; E322-C324 PolarHBondContact O-N 3.49Å; C324-K326 PolarHBondContact O-N 2.87Å; C324-H337 PolarHBondContact SG-NE2 3.46Å; C324-H341 WeakPolarHBondContact CB-CE1 3.14Å; C324-H341 WeakPolarHBondContact CB-NE2 3.47Å; C324-H341 PolarHBondContact SG-CE1 3.05Å; C324-H341 PolarHBondContact SG-NE2 3.38Å | ||
| 325 | N | 89.5 | Confident | 88.3 | Confident | 155 Ų | 155 | 95.9 Ų | 95.9 | 83% | 0.829 | 48% | 0.484 | S | S | * | . | trans | -69.4 | 26.3 | 177.6 | -68 | -55.9 | 0 | 0 | 0 | 115.7 | G323 | G323-N325 PolarHBondContact O-N 2.92Š| ||
| 326 | K | 91.4 | Very high | 89 | Confident | 111 Ų | 111 | 87.3 Ų | 87.3 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | trans | -84.9 | 141.9 | -178.6 | -65 | -169.8 | -165.7 | -67.8 | 0 | 112.1 | C319 C324 Y328 | C319-K326 PolarHBondContact N-O 3.42Å; C324-K326 PolarHBondContact O-N 2.87Å; K326-Y328 HydrophobicContact CB-CE2 3.75Å; K326-Y328 WeakPolarHBondContact CD-OH 3.38Å | ||
| 327 | V | 91.5 | Very high | 89 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 134 | -168.4 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | I316 R318 | I316-V327 HydrophobicContact CG2-CG1 3.25Å; R318-V327 HydrophobicContact CG-CG2 4.33Å |
| 328 | Y | 89.8 | Confident | 89.1 | Confident | 55 Ų | 55 | 87.4 Ų | 87.4 | 22% | 0.216 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.6 | -170.6 | -62 | -86.3 | 0 | 0 | 0 | 112.5 | H317 K326 H333 L334 H337 | H317-Y328 PolarHBondContact N-O 3.23Å; H317-Y328 PolarHBondContact O-N 2.84Å; K326-Y328 HydrophobicContact CB-CE2 3.75Å; K326-Y328 WeakPolarHBondContact CD-OH 3.38Å; Y328-H333 HydrophobicContact CD1-CB 3.59Å; Y328-H333 HydrophobicContact CE1-CB 4.35Å; Y328-H333 HydrophobicContact CG-CB 4.16Å; Y328-L334 HydrophobicContact CD2-CB 4.25Å; Y328-L334 HydrophobicContact CD2-CD1 4.18Å; Y328-L334 HydrophobicContact CG-CB 4.48Å; Y328-H337 HydrophobicContact CE1-CB 4.33Å; Y328-H337 HydrophobicContact CE2-CB 3.85Å; Y328-H337 AromaticContact CE2-CD2 3.35Å; Y328-H337 WeakPolarHBondContact CE2-CD2 3.48Å; Y328-H337 AromaticContact CE2-CG 3.76Å; Y328-H337 AromaticContact CZ-CD2 3.75Å; Y328-H337 AromaticContact CZ-CG 3.69Å; Y328-H337 WeakPolarHBondContact OH-CB 3.35Å; Y328-H337 PolarHBondContact OH-CD2 2.85Å |
| 329 | T | 88.8 | Confident | 89 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 56% | 0.564 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -91.5 | -2.1 | 176.6 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 330 | K | 86.4 | Confident | 88.8 | Confident | 116 Ų | 116 | 85.2 Ų | 85.2 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -140.8 | 134.5 | -179.8 | -64.6 | -179.2 | -176.1 | 174.7 | 0 | 110.2 | S332 H333 L334 | K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 PolarHBondContact O-N 3.34Å; K330-H333 HydrophobicContact CB-CB 4.41Å; K330-H333 PolarHBondContact O-N 3.42Å; K330-H333 VanDerWaalsContact O-N 3.12Å; K330-L334 PolarHBondContact O-N 2.91Å |
| 331 | S | 88.4 | Confident | 88.7 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.6 | -36.4 | 175.7 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | H317 H333 L334 K335 | H317-S331 PolarHBondContact CD2-N 2.88Å; H317-S331 VanDerWaalsContact CD2-N 3.34Å; H317-S331 PolarHBondContact NE2-N 2.99Å; S331-H333 VanDerWaalsContact C-N 3.33Å; S331-H333 PolarHBondContact O-N 2.86Å; S331-L334 PolarHBondContact O-N 2.79Å; S331-K335 PolarHBondContact O-N 3.22Å |
| 332 | S | 86.7 | Confident | 88.6 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 176.5 | 54 | 0 | 0 | 0 | 0 | 112.8 | K330 K335 A336 | K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 PolarHBondContact O-N 3.34Å; S332-K335 PolarHBondContact O-N 2.86Å; S332-A336 VanDerWaalsContact O-CB 3.28Å; S332-A336 WeakPolarHBondContact O-CB 3.08Å; S332-A336 PolarHBondContact O-N 2.79Å |
| 333 | H | 88.2 | Confident | 88.5 | Confident | 89 Ų | 89 | 75.2 Ų | 75.2 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71 | -36 | 176.6 | -66.8 | -155.3 | 0 | 0 | 0 | 111 | Y328 K330 S331 H337 | Y328-H333 HydrophobicContact CD1-CB 3.59Å; Y328-H333 HydrophobicContact CE1-CB 4.35Å; Y328-H333 HydrophobicContact CG-CB 4.16Å; K330-H333 HydrophobicContact CB-CB 4.41Å; K330-H333 PolarHBondContact O-N 3.42Å; K330-H333 VanDerWaalsContact O-N 3.12Å; S331-H333 VanDerWaalsContact C-N 3.33Å; S331-H333 PolarHBondContact O-N 2.86Å; H333-H337 WeakPolarHBondContact O-CB 3.22Å; H333-H337 PolarHBondContact O-N 2.72Å |
| 334 | L | 90 | Very high | 88.4 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 171.2 | 174.5 | 63.1 | 0 | 0 | 0 | 112 | H317 R318 C319 Y328 K330 S331 A336 H337 R338 | H317-L334 HydrophobicContact CB-CB 3.97Å; H317-L334 HydrophobicContact CB-CD2 3.84Å; H317-L334 HydrophobicContact CB-CG 4.49Å; R318-L334 VanDerWaalsContact O-CD1 3.23Å; R318-L334 WeakPolarHBondContact O-CD1 3.48Å; R318-L334 WeakPolarHBondContact O-CD2 3.49Å; C319-L334 HydrophobicContact CB-CD1 4.2Å; Y328-L334 HydrophobicContact CD2-CB 4.25Å; Y328-L334 HydrophobicContact CD2-CD1 4.18Å; Y328-L334 HydrophobicContact CG-CB 4.48Å; K330-L334 PolarHBondContact O-N 2.91Å; S331-L334 PolarHBondContact O-N 2.79Å; L334-A336 VanDerWaalsContact C-N 3.27Å; L334-A336 PolarHBondContact O-N 2.87Å; L334-H337 PolarHBondContact O-N 2.71Å; L334-H337 VanDerWaalsContact O-N 3.09Å; L334-R338 HydrophobicContact CD1-CG 4.14Å; L334-R338 PolarHBondContact O-N 3.47Å |
| 335 | K | 88 | Confident | 88.3 | Confident | 143 Ų | 143 | 79.1 Ų | 79.1 | 62% | 0.622 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.4 | -41 | 177.5 | -170.7 | 177.8 | 179.8 | 179.6 | 0 | 111 | S331 S332 | S331-K335 PolarHBondContact O-N 3.22Å; S332-K335 PolarHBondContact O-N 2.86Å |
| 336 | A | 87.3 | Confident | 88.2 | Confident | 19 Ų | 19 | 74 Ų | 74 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S332 L334 R339 R360 | S332-A336 VanDerWaalsContact O-CB 3.28Å; S332-A336 WeakPolarHBondContact O-CB 3.08Å; S332-A336 PolarHBondContact O-N 2.79Å; L334-A336 VanDerWaalsContact C-N 3.27Å; L334-A336 PolarHBondContact O-N 2.87Å; A336-R339 WeakPolarHBondContact O-CB 3.47Å; A336-R360 HydrophobicContact CB-CG 3.94Å |
| 337 | H | 88.7 | Confident | 88 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 175.7 | 169.9 | 37.4 | 0 | 0 | 0 | 112.8 | C319 C324 Y328 H333 L334 R339 T340 H341 | C319-H337 PolarHBondContact SG-NE2 3.3Å; C319-H337 VanDerWaalsContact SG-NE2 3.44Å; C324-H337 PolarHBondContact SG-NE2 3.46Å; Y328-H337 HydrophobicContact CE1-CB 4.33Å; Y328-H337 HydrophobicContact CE2-CB 3.85Å; Y328-H337 AromaticContact CE2-CD2 3.35Å; Y328-H337 WeakPolarHBondContact CE2-CD2 3.48Å; Y328-H337 AromaticContact CE2-CG 3.76Å; Y328-H337 AromaticContact CZ-CD2 3.75Å; Y328-H337 AromaticContact CZ-CG 3.69Å; Y328-H337 WeakPolarHBondContact OH-CB 3.35Å; Y328-H337 PolarHBondContact OH-CD2 2.85Å; H333-H337 WeakPolarHBondContact O-CB 3.22Å; H333-H337 PolarHBondContact O-N 2.72Å; L334-H337 PolarHBondContact O-N 2.71Å; L334-H337 VanDerWaalsContact O-N 3.09Å; H337-R339 PolarHBondContact O-N 3.46Å; H337-T340 PolarHBondContact CE1-OG1 3Å; H337-T340 PolarHBondContact ND1-OG1 3.34Å; H337-T340 WeakPolarHBondContact O-CB 3.24Å; H337-T340 PolarHBondContact O-N 2.78Å; H337-T340 PolarHBondContact O-OG1 2.87Å; H337-H341 AromaticContact CD2-NE2 3.65Å; H337-H341 AromaticContact CE1-CD2 3.84Å; H337-H341 AromaticContact CE1-CE1 4Å; H337-H341 AromaticContact CE1-NE2 2.85Å; H337-H341 PolarHBondContact CE1-NE2 3.49Å; H337-H341 AromaticContact ND1-NE2 3.99Å; H337-H341 AromaticContact NE2-CD2 3.98Å; H337-H341 AromaticContact NE2-NE2 2.53Å; H337-H341 PolarHBondContact NE2-NE2 2.65Å |
| 338 | R | 88.6 | Confident | 87.9 | Confident | 135 Ų | 135 | 74.8 Ų | 74.8 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.4 | -27.8 | -179.6 | -79.1 | -176.4 | 56.3 | 175.9 | -7.8 | 113.1 | D320 L334 T340 H341 T342 | D320-R338 IonicContact OD2-NH1 3.56Å; L334-R338 HydrophobicContact CD1-CG 4.14Å; L334-R338 PolarHBondContact O-N 3.47Å; R338-T340 VanDerWaalsContact C-N 3.26Å; R338-T340 PolarHBondContact O-N 2.74Å; R338-H341 WeakPolarHBondContact O-CB 3.44Å; R338-H341 PolarHBondContact O-N 3.22Å; R338-T342 PolarHBondContact O-N 2.85Å |
| 339 | R | 88.4 | Confident | 87.9 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 16% | 0.158 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -23.8 | 171.3 | -63.6 | -174.9 | 172.4 | 149.4 | -1.1 | 114.7 | A336 H337 H341 G343 E344 A359 | A336-R339 WeakPolarHBondContact O-CB 3.47Å; H337-R339 PolarHBondContact O-N 3.46Å; R339-H341 PolarHBondContact O-N 3.07Å; R339-G343 CarbonylContact O-C 3.25Å; R339-G343 WeakPolarHBondContact O-CA 3.25Å; R339-G343 PolarHBondContact O-N 3.43Å; R339-E344 HydrophobicContact CB-CB 4Å; R339-E344 HydrophobicContact CG-CB 3.83Å; R339-E344 IonicContact NE-OE2 2.7Å; R339-E344 PolarHBondContact O-N 2.88Å; R339-A359 HydrophobicContact CB-CB 4.15Å; R339-A359 WeakPolarHBondContact CD-O 3.46Å; R339-A359 PolarHBondContact NH1-O 2.9Å |
| 340 | T | 87.9 | Confident | 87.9 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 56% | 0.564 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.9 | -14.5 | 173.3 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | H337 R338 | H337-T340 PolarHBondContact CE1-OG1 3Å; H337-T340 PolarHBondContact ND1-OG1 3.34Å; H337-T340 WeakPolarHBondContact O-CB 3.24Å; H337-T340 PolarHBondContact O-N 2.78Å; H337-T340 PolarHBondContact O-OG1 2.87Å; R338-T340 VanDerWaalsContact C-N 3.26Å; R338-T340 PolarHBondContact O-N 2.74Å |
| 341 | H | 88.6 | Confident | 87.9 | Confident | 67 Ų | 67 | 71.7 Ų | 71.7 | 31% | 0.31 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -94.8 | -40.8 | 172.4 | -60.8 | -54.9 | 0 | 0 | 0 | 112 | C319 F321 C324 H337 R338 R339 G343 | C319-H341 VanDerWaalsContact SG-CD2 3.57Å; C319-H341 PolarHBondContact SG-NE2 2.89Å; F321-H341 AromaticContact CD1-CE1 3.86Å; F321-H341 AromaticContact CD1-CG 3.95Å; F321-H341 AromaticContact CD1-ND1 3.61Å; F321-H341 HydrophobicContact CD2-CB 3.77Å; F321-H341 AromaticContact CD2-CG 3.87Å; F321-H341 AromaticContact CE1-ND1 3.87Å; F321-H341 HydrophobicContact CE2-CB 3.92Å; F321-H341 HydrophobicContact CG-CB 4.13Å; F321-H341 AromaticContact CG-CD2 3.77Å; F321-H341 AromaticContact CG-CG 3.69Å; F321-H341 AromaticContact CG-ND1 3.87Å; F321-H341 HydrophobicContact CZ-CB 4.41Å; C324-H341 WeakPolarHBondContact CB-CE1 3.14Å; C324-H341 WeakPolarHBondContact CB-NE2 3.47Å; C324-H341 PolarHBondContact SG-CE1 3.05Å; C324-H341 PolarHBondContact SG-NE2 3.38Å; H337-H341 AromaticContact CD2-NE2 3.65Å; H337-H341 AromaticContact CE1-CD2 3.84Å; H337-H341 AromaticContact CE1-CE1 4Å; H337-H341 AromaticContact CE1-NE2 2.85Å; H337-H341 PolarHBondContact CE1-NE2 3.49Å; H337-H341 AromaticContact ND1-NE2 3.99Å; H337-H341 AromaticContact NE2-CD2 3.98Å; H337-H341 AromaticContact NE2-NE2 2.53Å; H337-H341 PolarHBondContact NE2-NE2 2.65Å; R338-H341 WeakPolarHBondContact O-CB 3.44Å; R338-H341 PolarHBondContact O-N 3.22Å; R339-H341 PolarHBondContact O-N 3.07Å; H341-G343 VanDerWaalsContact C-N 3.35Å |
| 342 | T | 87.1 | Confident | 87.7 | Confident | 76 Ų | 76 | 76.5 Ų | 76.5 | 47% | 0.466 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -79.7 | -14.3 | 177.3 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | R338 E344 | R338-T342 PolarHBondContact O-N 2.85Å; T342-E344 WeakPolarHBondContact CB-OE1 3.45Å; T342-E344 PolarHBondContact O-N 3.32Å; T342-E344 VanDerWaalsContact OG1-CD 3.26Å; T342-E344 WeakPolarHBondContact OG1-CG 3.42Å; T342-E344 PolarHBondContact OG1-OE1 2.83Å |
| 343 | G | 85.6 | Confident | 87.6 | Confident | 52 Ų | 52 | 76.9 Ų | 76.9 | 54% | 0.536 | 40% | 0.399 | S | S | . | . | trans | 77.9 | 0.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R339 H341 K345 | R339-G343 CarbonylContact O-C 3.25Å; R339-G343 WeakPolarHBondContact O-CA 3.25Å; R339-G343 PolarHBondContact O-N 3.43Å; H341-G343 VanDerWaalsContact C-N 3.35Å; G343-K345 PolarHBondContact O-N 2.75Å | ||
| 344 | E | 86.4 | Confident | 87.5 | Confident | 97 Ų | 97 | 73.6 Ų | 73.6 | 45% | 0.453 | 39% | 0.386 | S | S | . | . | trans | -55.7 | 119.8 | -178.6 | -82.2 | 166.6 | -117.3 | 0 | 0 | 113.2 | R339 T342 P346 | R339-E344 HydrophobicContact CB-CB 4Å; R339-E344 HydrophobicContact CG-CB 3.83Å; R339-E344 IonicContact NE-OE2 2.7Å; R339-E344 PolarHBondContact O-N 2.88Å; T342-E344 WeakPolarHBondContact CB-OE1 3.45Å; T342-E344 PolarHBondContact O-N 3.32Å; T342-E344 VanDerWaalsContact OG1-CD 3.26Å; T342-E344 WeakPolarHBondContact OG1-CG 3.42Å; T342-E344 PolarHBondContact OG1-OE1 2.83Å; E344-P346 WeakPolarHBondContact O-CD 3.36Å | ||
| 345 | K | 87.7 | Confident | 87.4 | Confident | 70 Ų | 70 | 77.6 Ų | 77.6 | 30% | 0.304 | 41% | 0.412 | S | S | . | . | trans | -123.9 | 73.4 | 176.3 | -73.4 | 151.1 | 154.2 | -93.5 | 0 | 110.9 | Q235 G343 Y347 K357 F358 | Q235-K345 WeakPolarHBondContact O-CE 3.35Å; Q235-K345 PolarHBondContact O-NZ 3.22Å; G343-K345 PolarHBondContact O-N 2.75Å; K345-Y347 VanDerWaalsContact C-N 3.3Å; K345-Y347 PolarHBondContact O-N 3.1Å; K345-K357 HydrophobicContact CB-CB 3.66Å; K345-K357 HydrophobicContact CD-CB 4.45Å; K345-K357 HydrophobicContact CG-CB 4.44Å; K345-K357 PolarHBondContact NZ-O 3.38Å; K345-F358 CarbonylContact C-O 3.54Å; K345-F358 VanDerWaalsContact C-O 3.29Å; K345-F358 WeakPolarHBondContact CA-O 3.31Å | ||
| 346 | P | 87.4 | Confident | 87.3 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 31% | 0.305 | 40% | 0.401 | S | S | . | . | trans | -72.1 | -21.3 | -174.8 | 28.6 | -34.5 | 0 | 0 | 0 | 113.7 | E344 K348 | E344-P346 WeakPolarHBondContact O-CD 3.36Å; P346-K348 PolarHBondContact O-N 2.98Å | ||
| 347 | Y | 86.9 | Confident | 87.4 | Confident | 64 Ų | 64 | 80.6 Ų | 80.6 | 25% | 0.251 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 95.3 | -178.1 | -55.6 | -72.7 | 0 | 0 | 0 | 110.1 | K345 K357 F358 A359 R360 | K345-Y347 VanDerWaalsContact C-N 3.3Å; K345-Y347 PolarHBondContact O-N 3.1Å; Y347-K357 CarbonylContact O-C 3.53Å; Y347-K357 WeakPolarHBondContact O-CA 3.49Å; Y347-F358 PolarHBondContact N-O 2.92Å; Y347-F358 PolarHBondContact O-N 2.22Å; Y347-A359 WeakPolarHBondContact CE2-O 3.26Å; Y347-R360 VanDerWaalsContact CE2-C 3.47Å |
| 348 | K | 89.6 | Confident | 87.3 | Confident | 139 Ų | 139 | 80.9 Ų | 80.9 | 60% | 0.604 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 145.9 | 173.3 | 61.7 | 179.9 | -180 | 175.7 | 0 | 111.4 | P346 T350 K357 L364 | P346-K348 PolarHBondContact O-N 2.98Å; K348-T350 HydrophobicContact CG-CG2 4.46Å; K348-K357 HydrophobicContact CB-CG 4.25Å; K348-L364 WeakPolarHBondContact O-CD2 3.48Å |
| 349 | C | 90.1 | Very high | 87.2 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 7% | 0.068 | 40% | 0.401 | C | S | . | . | trans | -65.6 | 151.9 | 158.5 | -160.4 | 0 | 0 | 0 | 0 | 109.9 | C354 W356 L364 H371 | C349-C354 HydrophobicContact CB-CB 4.15Å; C349-W356 PolarHBondContact N-O 3.09Å; C349-L364 HydrophobicContact CB-CD1 4.26Å; C349-H371 PolarHBondContact SG-NE2 3.19Å | ||
| 350 | T | 88.4 | Confident | 87 | Confident | 76 Ų | 76 | 77.2 Ų | 77.2 | 47% | 0.466 | 41% | 0.409 | S | S | . | . | trans | -126.2 | 22.8 | 176.6 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | K348 | K348-T350 HydrophobicContact CG-CG2 4.46Š| ||
| 351 | W | 85.2 | Confident | 86.9 | Confident | 112 Ų | 112 | 75.2 Ų | 75.2 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -90.8 | 139.2 | 173.5 | -168.5 | -85.4 | 0 | 0 | 0 | 109.4 | G353 C354 Y368 H371 T372 | W351-G353 PolarHBondContact O-N 3.39Å; W351-C354 HydrophobicContact CB-CB 4.1Å; W351-C354 VanDerWaalsContact O-CB 3.31Å; W351-C354 WeakPolarHBondContact O-CB 3.48Å; W351-C354 PolarHBondContact O-N 3.43Å; W351-Y368 HydrophobicContact CE3-CE2 4.38Å; W351-H371 AromaticContact CD1-CG 3.94Å; W351-H371 AromaticContact CD1-ND1 3.71Å; W351-H371 HydrophobicContact CD2-CB 3.57Å; W351-H371 AromaticContact CD2-CG 3.78Å; W351-H371 HydrophobicContact CE3-CB 3.71Å; W351-H371 HydrophobicContact CG-CB 3.99Å; W351-H371 AromaticContact CG-CD2 3.83Å; W351-H371 AromaticContact CG-CG 3.62Å; W351-H371 AromaticContact CG-ND1 3.85Å; W351-H371 HydrophobicContact CH2-CB 4.3Å; W351-H371 HydrophobicContact CZ2-CB 4.19Å; W351-H371 HydrophobicContact CZ3-CB 4.08Å; W351-T372 HydrophobicContact CZ3-CG2 4.38Å |
| 352 | E | 84.3 | Confident | 86.7 | Confident | 175 Ų | 175 | 76.1 Ų | 76.1 | 82% | 0.818 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 134 | -175.4 | -66.8 | -52.6 | 138.4 | 0 | 0 | 112.4 | C354 | E352-C354 PolarHBondContact O-N 3.17Š|
| 353 | G | 84.5 | Confident | 86.7 | Confident | 78 Ų | 78 | 74 Ų | 74 | 80% | 0.804 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -7.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | W351 | W351-G353 PolarHBondContact O-N 3.39Š|
| 354 | C | 87.3 | Confident | 86.8 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 14% | 0.135 | 37% | 0.368 | C | S | . | . | trans | -92.8 | 108.1 | -177.9 | -163.8 | 0 | 0 | 0 | 0 | 113.5 | C349 W351 E352 H367 H371 | C349-C354 HydrophobicContact CB-CB 4.15Å; W351-C354 HydrophobicContact CB-CB 4.1Å; W351-C354 VanDerWaalsContact O-CB 3.31Å; W351-C354 WeakPolarHBondContact O-CB 3.48Å; W351-C354 PolarHBondContact O-N 3.43Å; E352-C354 PolarHBondContact O-N 3.17Å; C354-H367 VanDerWaalsContact SG-CE1 3.57Å; C354-H367 PolarHBondContact SG-NE2 3.16Å; C354-H371 WeakPolarHBondContact CB-CE1 3.44Å; C354-H371 VanDerWaalsContact CB-NE2 3.35Å; C354-H371 WeakPolarHBondContact CB-NE2 3.22Å; C354-H371 PolarHBondContact SG-CE1 3.17Å; C354-H371 PolarHBondContact SG-NE2 3.37Å | ||
| 355 | T | 87.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | trans | -88.6 | 1.4 | -177.7 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 356 | W | 86.1 | Confident | 86.8 | Confident | 107 Ų | 107 | 68.9 Ų | 68.9 | 41% | 0.405 | 35% | 0.352 | S | S | . | . | trans | -72.1 | 139.9 | -168.8 | -73.6 | 28.1 | 0 | 0 | 0 | 112.5 | C349 F358 H367 | C349-W356 PolarHBondContact N-O 3.09Å; W356-F358 HydrophobicContact CB-CE2 3.98Å; W356-F358 HydrophobicContact CB-CZ 3.82Å; W356-F358 HydrophobicContact CE3-CE1 4.23Å; W356-F358 AromaticContact CE3-CZ 3.93Å; W356-F358 HydrophobicContact CE3-CZ 3.93Å; W356-H367 AromaticContact CD2-CE1 3.89Å; W356-H367 AromaticContact CE3-CE1 3.68Å; W356-H367 AromaticContact CE3-ND1 3.58Å | ||
| 357 | K | 89.6 | Confident | 86.8 | Confident | 118 Ų | 118 | 67 Ų | 67 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.8 | -178.8 | -50.2 | 179.8 | -174.9 | 174.5 | 0 | 110.9 | K345 Y347 K348 | K345-K357 HydrophobicContact CB-CB 3.66Å; K345-K357 HydrophobicContact CD-CB 4.45Å; K345-K357 HydrophobicContact CG-CB 4.44Å; K345-K357 PolarHBondContact NZ-O 3.38Å; Y347-K357 CarbonylContact O-C 3.53Å; Y347-K357 WeakPolarHBondContact O-CA 3.49Å; K348-K357 HydrophobicContact CB-CG 4.25Å |
| 358 | F | 86.1 | Confident | 86.8 | Confident | 18 Ų | 18 | 67 Ų | 67 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 154.1 | -169.4 | -54.5 | -85.9 | 0 | 0 | 0 | 112.5 | K345 Y347 W356 E363 L364 H367 | K345-F358 CarbonylContact C-O 3.54Å; K345-F358 VanDerWaalsContact C-O 3.29Å; K345-F358 WeakPolarHBondContact CA-O 3.31Å; Y347-F358 PolarHBondContact N-O 2.92Å; Y347-F358 PolarHBondContact O-N 2.22Å; W356-F358 HydrophobicContact CB-CE2 3.98Å; W356-F358 HydrophobicContact CB-CZ 3.82Å; W356-F358 HydrophobicContact CE3-CE1 4.23Å; W356-F358 AromaticContact CE3-CZ 3.93Å; W356-F358 HydrophobicContact CE3-CZ 3.93Å; F358-E363 HydrophobicContact CB-CB 3.81Å; F358-E363 HydrophobicContact CD1-CB 3.68Å; F358-E363 HydrophobicContact CG-CB 3.95Å; F358-L364 HydrophobicContact CB-CB 4.48Å; F358-L364 HydrophobicContact CD2-CB 3.81Å; F358-L364 HydrophobicContact CD2-CD1 3.91Å; F358-L364 HydrophobicContact CD2-CG 4.45Å; F358-L364 HydrophobicContact CE2-CB 4.48Å; F358-L364 HydrophobicContact CE2-CD1 3.93Å; F358-L364 HydrophobicContact CG-CB 4.33Å; F358-H367 HydrophobicContact CE1-CB 4Å; F358-H367 HydrophobicContact CE2-CB 3.9Å; F358-H367 AromaticContact CE2-CD2 3.59Å; F358-H367 AromaticContact CE2-CG 3.72Å; F358-H367 HydrophobicContact CZ-CB 3.4Å; F358-H367 AromaticContact CZ-CD2 3.61Å; F358-H367 AromaticContact CZ-CG 3.26Å; F358-H367 AromaticContact CZ-ND1 3.61Å |
| 359 | A | 86.1 | Confident | 86.7 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 12% | 0.116 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -83.1 | -24 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R339 Y347 E363 | R339-A359 HydrophobicContact CB-CB 4.15Å; R339-A359 WeakPolarHBondContact CD-O 3.46Å; R339-A359 PolarHBondContact NH1-O 2.9Å; Y347-A359 WeakPolarHBondContact CE2-O 3.26Å; A359-E363 PolarHBondContact N-OE2 2.63Å; A359-E363 VanDerWaalsContact N-OE2 3.07Å |
| 360 | R | 83.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -130 | 151.6 | -176.4 | -48.4 | -176 | -69 | 118.1 | 3.9 | 111.4 | A336 Y347 D362 E363 L364 | A336-R360 HydrophobicContact CB-CG 3.94Å; Y347-R360 VanDerWaalsContact CE2-C 3.47Å; R360-D362 VanDerWaalsContact CB-OD1 3.22Å; R360-D362 WeakPolarHBondContact CB-OD1 3.37Å; R360-D362 IonicContact CZ-OD1 2.7Å; R360-D362 IonicContact CZ-OD2 2.76Å; R360-D362 IonicContact NH1-OD1 3.96Å; R360-D362 PolarHBondContact NH1-OD1 2.89Å; R360-D362 IonicContact NH1-OD2 3.52Å; R360-D362 PolarHBondContact NH1-OD2 2.95Å; R360-D362 IonicContact NH2-OD2 2.99Å; R360-D362 PolarHBondContact NH2-OD2 3.1Å; R360-E363 HydrophobicContact CB-CG 4.05Å; R360-E363 IonicContact CZ-OE1 3.71Å; R360-E363 PolarHBondContact N-OE2 2.66Å; R360-E363 IonicContact NE-OE1 3.64Å; R360-E363 PolarHBondContact NE-OE1 3.01Å; R360-E363 VanDerWaalsContact NH2-CG 3.27Å; R360-E363 IonicContact NH2-OE1 3.56Å; R360-E363 PolarHBondContact NH2-OE1 3.21Å; R360-E363 WeakPolarHBondContact O-CB 3.37Å; R360-E363 PolarHBondContact O-N 3.29Å; R360-L364 PolarHBondContact O-N 2.7Å |
| 361 | S | 87.1 | Confident | 86.4 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.5 | -32.9 | -178.3 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | E363 L364 T365 | S361-E363 VanDerWaalsContact C-N 3.26Å; S361-E363 PolarHBondContact O-N 3.49Å; S361-L364 PolarHBondContact O-N 2.73Å; S361-T365 PolarHBondContact O-N 2.93Å; S361-T365 PolarHBondContact O-OG1 3.18Å; S361-T365 VanDerWaalsContact O-OG1 3.05Å |
| 362 | D | 83.5 | Confident | 86.4 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.2 | -28.9 | 177.2 | 64.1 | -67.7 | 0 | 0 | 0 | 112.8 | R360 R366 | R360-D362 VanDerWaalsContact CB-OD1 3.22Å; R360-D362 WeakPolarHBondContact CB-OD1 3.37Å; R360-D362 IonicContact CZ-OD1 2.7Å; R360-D362 IonicContact CZ-OD2 2.76Å; R360-D362 IonicContact NH1-OD1 3.96Å; R360-D362 PolarHBondContact NH1-OD1 2.89Å; R360-D362 IonicContact NH1-OD2 3.52Å; R360-D362 PolarHBondContact NH1-OD2 2.95Å; R360-D362 IonicContact NH2-OD2 2.99Å; R360-D362 PolarHBondContact NH2-OD2 3.1Å; D362-R366 VanDerWaalsContact O-CB 3.32Å; D362-R366 WeakPolarHBondContact O-CB 3.32Å; D362-R366 PolarHBondContact O-N 2.98Å |
| 363 | E | 87 | Confident | 86.4 | Confident | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.2 | -47.8 | 171.5 | -61.7 | 167.8 | 164.6 | 0 | 0 | 110.9 | F358 A359 R360 S361 T365 R366 H367 | F358-E363 HydrophobicContact CB-CB 3.81Å; F358-E363 HydrophobicContact CD1-CB 3.68Å; F358-E363 HydrophobicContact CG-CB 3.95Å; A359-E363 PolarHBondContact N-OE2 2.63Å; A359-E363 VanDerWaalsContact N-OE2 3.07Å; R360-E363 HydrophobicContact CB-CG 4.05Å; R360-E363 IonicContact CZ-OE1 3.71Å; R360-E363 PolarHBondContact N-OE2 2.66Å; R360-E363 IonicContact NE-OE1 3.64Å; R360-E363 PolarHBondContact NE-OE1 3.01Å; R360-E363 VanDerWaalsContact NH2-CG 3.27Å; R360-E363 IonicContact NH2-OE1 3.56Å; R360-E363 PolarHBondContact NH2-OE1 3.21Å; R360-E363 WeakPolarHBondContact O-CB 3.37Å; R360-E363 PolarHBondContact O-N 3.29Å; S361-E363 VanDerWaalsContact C-N 3.26Å; S361-E363 PolarHBondContact O-N 3.49Å; E363-T365 PolarHBondContact O-N 2.76Å; E363-R366 PolarHBondContact O-N 3.27Å; E363-H367 WeakPolarHBondContact O-CB 3.27Å; E363-H367 PolarHBondContact O-N 3.03Å |
| 364 | L | 89.3 | Confident | 86.4 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.2 | 173.9 | 59.8 | 0 | 0 | 0 | 111.5 | V212 K348 C349 F358 R360 S361 R366 H367 Y368 | V212-L364 HydrophobicContact CG1-CD2 4.05Å; V212-L364 HydrophobicContact CG1-CG 4.49Å; K348-L364 WeakPolarHBondContact O-CD2 3.48Å; C349-L364 HydrophobicContact CB-CD1 4.26Å; F358-L364 HydrophobicContact CB-CB 4.48Å; F358-L364 HydrophobicContact CD2-CB 3.81Å; F358-L364 HydrophobicContact CD2-CD1 3.91Å; F358-L364 HydrophobicContact CD2-CG 4.45Å; F358-L364 HydrophobicContact CE2-CB 4.48Å; F358-L364 HydrophobicContact CE2-CD1 3.93Å; F358-L364 HydrophobicContact CG-CB 4.33Å; R360-L364 PolarHBondContact O-N 2.7Å; S361-L364 PolarHBondContact O-N 2.73Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 3.37Å; L364-H367 PolarHBondContact O-N 3.13Å; L364-Y368 WeakPolarHBondContact O-CB 3.37Å; L364-Y368 PolarHBondContact O-N 3.46Å |
| 365 | T | 87.1 | Confident | 86.5 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 16% | 0.16 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -38 | 177.3 | -60 | 0 | 0 | 0 | 0 | 112.3 | I210 S361 E363 | I210-T365 HydrophobicContact CB-CG2 4.02Å; I210-T365 HydrophobicContact CD1-CG2 3.93Å; I210-T365 HydrophobicContact CG1-CG2 4.38Å; I210-T365 HydrophobicContact CG2-CG2 4.35Å; S361-T365 PolarHBondContact O-N 2.93Å; S361-T365 PolarHBondContact O-OG1 3.18Å; S361-T365 VanDerWaalsContact O-OG1 3.05Å; E363-T365 PolarHBondContact O-N 2.76Å |
| 366 | R | 85.9 | Confident | 86.4 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 28% | 0.275 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 172.9 | -179.4 | 171.5 | 78.6 | 179.6 | 4.1 | 111 | D239 D362 E363 L364 Y368 R369 R388 | D239-R366 IonicContact OD2-CZ 3.66Å; D239-R366 IonicContact OD2-NE 3.73Å; D239-R366 PolarHBondContact OD2-NE 3.48Å; D239-R366 IonicContact OD2-NH2 3.61Å; D239-R366 PolarHBondContact OD2-NH2 2.76Å; D362-R366 VanDerWaalsContact O-CB 3.32Å; D362-R366 WeakPolarHBondContact O-CB 3.32Å; D362-R366 PolarHBondContact O-N 2.98Å; E363-R366 PolarHBondContact O-N 3.27Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 3.37Å; R366-Y368 VanDerWaalsContact C-N 3.31Å; R366-Y368 PolarHBondContact O-N 3.43Å; R366-R369 WeakPolarHBondContact O-CB 3.42Å; R366-R369 PolarHBondContact O-N 2.7Å; R366-R369 VanDerWaalsContact O-N 3.16Å; R366-R388 HydrophobicContact CG-CG 4.19Å |
| 367 | H | 88.5 | Confident | 86.5 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 178 | 169.9 | 82.2 | 0 | 0 | 0 | 112.8 | C354 W356 F358 E363 L364 R369 K370 H371 | C354-H367 VanDerWaalsContact SG-CE1 3.57Å; C354-H367 PolarHBondContact SG-NE2 3.16Å; W356-H367 AromaticContact CD2-CE1 3.89Å; W356-H367 AromaticContact CE3-CE1 3.68Å; W356-H367 AromaticContact CE3-ND1 3.58Å; F358-H367 HydrophobicContact CE1-CB 4Å; F358-H367 HydrophobicContact CE2-CB 3.9Å; F358-H367 AromaticContact CE2-CD2 3.59Å; F358-H367 AromaticContact CE2-CG 3.72Å; F358-H367 HydrophobicContact CZ-CB 3.4Å; F358-H367 AromaticContact CZ-CD2 3.61Å; F358-H367 AromaticContact CZ-CG 3.26Å; F358-H367 AromaticContact CZ-ND1 3.61Å; E363-H367 WeakPolarHBondContact O-CB 3.27Å; E363-H367 PolarHBondContact O-N 3.03Å; L364-H367 PolarHBondContact O-N 3.13Å; H367-R369 PolarHBondContact O-N 3.15Å; H367-R369 VanDerWaalsContact O-N 3.17Å; H367-K370 WeakPolarHBondContact O-CB 3.43Å; H367-K370 PolarHBondContact O-N 3.36Å; H367-H371 AromaticContact CD2-NE2 3.09Å; H367-H371 PolarHBondContact CD2-NE2 3Å; H367-H371 AromaticContact CE1-NE2 2.98Å; H367-H371 PolarHBondContact CE1-NE2 2.9Å; H367-H371 AromaticContact ND1-NE2 3.99Å; H367-H371 AromaticContact NE2-CD2 3.91Å; H367-H371 AromaticContact NE2-NE2 2.22Å; H367-H371 PolarHBondContact NE2-NE2 3.33Å |
| 368 | Y | 86.3 | Confident | 86.5 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -26.8 | 178.3 | -154.6 | -91 | 0 | 0 | 0 | 113 | I210 W351 L364 R366 K370 H371 T372 | I210-Y368 HydrophobicContact CG2-CD1 4.47Å; W351-Y368 HydrophobicContact CE3-CE2 4.38Å; L364-Y368 WeakPolarHBondContact O-CB 3.37Å; L364-Y368 PolarHBondContact O-N 3.46Å; R366-Y368 VanDerWaalsContact C-N 3.31Å; R366-Y368 PolarHBondContact O-N 3.43Å; Y368-K370 PolarHBondContact O-N 2.99Å; Y368-H371 PolarHBondContact O-N 3.19Å; Y368-T372 HydrophobicContact CD1-CG2 3.78Å; Y368-T372 HydrophobicContact CE1-CG2 3.6Å; Y368-T372 PolarHBondContact O-N 3.06Å; Y368-T372 VanDerWaalsContact O-N 3.17Å; Y368-T372 PolarHBondContact O-OG1 2.96Å |
| 369 | R | 87.1 | Confident | 86.7 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.8 | -22.1 | 173.5 | -61.8 | 177.9 | -178 | -170 | -6.5 | 113.4 | N208 I210 R366 H367 H371 G373 V374 S387 | N208-R369 PolarHBondContact OD1-NH2 2.74Å; I210-R369 HydrophobicContact CD1-CG 4.09Å; R366-R369 WeakPolarHBondContact O-CB 3.42Å; R366-R369 PolarHBondContact O-N 2.7Å; R366-R369 VanDerWaalsContact O-N 3.16Å; H367-R369 PolarHBondContact O-N 3.15Å; H367-R369 VanDerWaalsContact O-N 3.17Å; R369-H371 VanDerWaalsContact C-N 3.34Å; R369-G373 WeakPolarHBondContact O-CA 3.4Å; R369-G373 PolarHBondContact O-N 3.16Å; R369-V374 PolarHBondContact O-N 3.26Å; R369-S387 PolarHBondContact NH1-O 2.87Å |
| 370 | K | 85.3 | Confident | 86.8 | Confident | 103 Ų | 103 | 59.1 Ų | 59.1 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 172.8 | -168.9 | 177.7 | -175.9 | 168.5 | 0 | 111.3 | D242 H367 Y368 | D242-K370 WeakPolarHBondContact OD1-CE 3.39Å; D242-K370 IonicContact OD1-NZ 3.15Å; D242-K370 PolarHBondContact OD1-NZ 2.81Å; D242-K370 WeakPolarHBondContact OD2-CD 3.18Å; D242-K370 VanDerWaalsContact OD2-CE 3.27Å; D242-K370 WeakPolarHBondContact OD2-CE 3.24Å; D242-K370 IonicContact OD2-NZ 2.78Å; D242-K370 PolarHBondContact OD2-NZ 2.82Å; H367-K370 WeakPolarHBondContact O-CB 3.43Å; H367-K370 PolarHBondContact O-N 3.36Å; Y368-K370 PolarHBondContact O-N 2.99Å |
| 371 | H | 86.4 | Confident | 86.9 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -75.7 | -39.8 | 176.7 | -60.9 | -50.2 | 0 | 0 | 0 | 112.5 | C349 W351 C354 H367 Y368 R369 | C349-H371 PolarHBondContact SG-NE2 3.19Å; W351-H371 AromaticContact CD1-CG 3.94Å; W351-H371 AromaticContact CD1-ND1 3.71Å; W351-H371 HydrophobicContact CD2-CB 3.57Å; W351-H371 AromaticContact CD2-CG 3.78Å; W351-H371 HydrophobicContact CE3-CB 3.71Å; W351-H371 HydrophobicContact CG-CB 3.99Å; W351-H371 AromaticContact CG-CD2 3.83Å; W351-H371 AromaticContact CG-CG 3.62Å; W351-H371 AromaticContact CG-ND1 3.85Å; W351-H371 HydrophobicContact CH2-CB 4.3Å; W351-H371 HydrophobicContact CZ2-CB 4.19Å; W351-H371 HydrophobicContact CZ3-CB 4.08Å; C354-H371 WeakPolarHBondContact CB-CE1 3.44Å; C354-H371 VanDerWaalsContact CB-NE2 3.35Å; C354-H371 WeakPolarHBondContact CB-NE2 3.22Å; C354-H371 PolarHBondContact SG-CE1 3.17Å; C354-H371 PolarHBondContact SG-NE2 3.37Å; H367-H371 AromaticContact CD2-NE2 3.09Å; H367-H371 PolarHBondContact CD2-NE2 3Å; H367-H371 AromaticContact CE1-NE2 2.98Å; H367-H371 PolarHBondContact CE1-NE2 2.9Å; H367-H371 AromaticContact ND1-NE2 3.99Å; H367-H371 AromaticContact NE2-CD2 3.91Å; H367-H371 AromaticContact NE2-NE2 2.22Å; H367-H371 PolarHBondContact NE2-NE2 3.33Å; Y368-H371 PolarHBondContact O-N 3.19Å; R369-H371 VanDerWaalsContact C-N 3.34Å |
| 372 | T | 85.9 | Confident | 87.1 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -88.3 | -8.1 | -178 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | W351 Y368 V374 | W351-T372 HydrophobicContact CZ3-CG2 4.38Å; Y368-T372 HydrophobicContact CD1-CG2 3.78Å; Y368-T372 HydrophobicContact CE1-CG2 3.6Å; Y368-T372 PolarHBondContact O-N 3.06Å; Y368-T372 VanDerWaalsContact O-N 3.17Å; Y368-T372 PolarHBondContact O-OG1 2.96Å; T372-V374 PolarHBondContact O-N 2.65Å; T372-V374 VanDerWaalsContact O-N 3.13Å; T372-V374 WeakPolarHBondContact OG1-CG2 3.48Å |
| 373 | G | 84.9 | Confident | 87.2 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 55% | 0.546 | 34% | 0.335 | S | S | . | . | trans | 65.9 | 7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | R369 K375 | R369-G373 WeakPolarHBondContact O-CA 3.4Å; R369-G373 PolarHBondContact O-N 3.16Å; G373-K375 PolarHBondContact O-N 3.3Å; G373-K375 VanDerWaalsContact O-N 3.15Å | ||
| 374 | V | 84.7 | Confident | 87.2 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | trans | -71.7 | 110.9 | -171.1 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | R369 T372 P376 | R369-V374 PolarHBondContact O-N 3.26Å; T372-V374 PolarHBondContact O-N 2.65Å; T372-V374 VanDerWaalsContact O-N 3.13Å; T372-V374 WeakPolarHBondContact OG1-CG2 3.48Å; V374-P376 VanDerWaalsContact O-CD 3.24Å; V374-P376 WeakPolarHBondContact O-CD 3.42Å | ||
| 375 | K | 88.2 | Confident | 87.2 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 33% | 0.326 | 35% | 0.354 | S | S | . | . | trans | -108.2 | 82.1 | 177.2 | -62.2 | -162.7 | -174.7 | -159.1 | 0 | 111.2 | D244 L245 G373 F377 S385 F386 | D244-K375 WeakPolarHBondContact OD1-CD 3Å; D244-K375 WeakPolarHBondContact OD1-CE 3.2Å; D244-K375 IonicContact OD1-NZ 2.66Å; D244-K375 PolarHBondContact OD1-NZ 3.44Å; L245-K375 PolarHBondContact O-NZ 2.9Å; G373-K375 PolarHBondContact O-N 3.3Å; G373-K375 VanDerWaalsContact O-N 3.15Å; K375-F377 VanDerWaalsContact C-N 3.29Å; K375-F377 PolarHBondContact O-N 2.92Å; K375-S385 WeakPolarHBondContact CD-O 3.2Å; K375-F386 CarbonylContact C-O 3.51Å; K375-F386 VanDerWaalsContact C-O 3.25Å; K375-F386 VanDerWaalsContact CA-O 3.29Å; K375-F386 WeakPolarHBondContact CA-O 3.45Å | ||
| 376 | P | 86.7 | Confident | 87.2 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | trans | -78.9 | -8.1 | -169.8 | 33 | -35.7 | 0 | 0 | 0 | 114.1 | V374 F386 | V374-P376 VanDerWaalsContact O-CD 3.24Å; V374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-F386 WeakPolarHBondContact CD-O 3.29Å | ||
| 377 | F | 87.6 | Confident | 87.2 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 83.4 | -174.8 | -60 | -66.9 | 0 | 0 | 0 | 110.8 | K375 F386 S389 L392 | K375-F377 VanDerWaalsContact C-N 3.29Å; K375-F377 PolarHBondContact O-N 2.92Å; F377-F386 HydrophobicContact CB-CB 4.35Å; F377-F386 PolarHBondContact N-O 3.45Å; F377-F386 VanDerWaalsContact N-O 3.16Å; F377-F386 WeakPolarHBondContact O-CD2 3.49Å; F377-F386 PolarHBondContact O-N 3.2Å; F377-S389 VanDerWaalsContact CD2-N 3.28Å; F377-S389 VanDerWaalsContact CE2-N 3.32Å; F377-L392 HydrophobicContact CB-CB 4.06Å; F377-L392 HydrophobicContact CB-CD2 3.81Å |
| 378 | K | 88.6 | Confident | 87.1 | Confident | 162 Ų | 162 | 64.6 Ų | 64.6 | 70% | 0.704 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 143.6 | 171.6 | 66.3 | 176.9 | 180 | 175.4 | 0 | 112.3 | S385 L392 | K378-S385 WeakPolarHBondContact CB-OG 3.43Å; K378-L392 WeakPolarHBondContact O-CD2 3.41Å |
| 379 | C | 90.2 | Very high | 87.3 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 5% | 0.054 | 36% | 0.363 | C | S | . | . | trans | -72.5 | 155 | 164.4 | -175.4 | 0 | 0 | 0 | 0 | 110 | D381 C382 R384 L392 H399 | C379-D381 PolarHBondContact SG-N 3.49Å; C379-D381 PolarHBondContact SG-OD2 3.32Å; C379-C382 CarbonylContact C-O 3.59Å; C379-C382 VanDerWaalsContact CB-O 3.27Å; C379-C382 WeakPolarHBondContact CB-O 3.38Å; C379-R384 WeakPolarHBondContact CB-O 3.33Å; C379-R384 PolarHBondContact N-O 3.28Å; C379-L392 HydrophobicContact CB-CD1 3.73Å; C379-H399 PolarHBondContact SG-NE2 3.17Å; C379-H399 VanDerWaalsContact SG-NE2 3.38Å | ||
| 380 | A | 88.8 | Confident | 87.3 | Confident | 92 Ų | 92 | 67.1 Ų | 67.1 | 76% | 0.76 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -96.1 | -21.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 381 | D | 87.1 | Confident | 87.5 | Confident | 79 Ų | 79 | 64 Ų | 64 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -96.8 | -8.1 | -171.3 | -28.9 | -77.1 | 0 | 0 | 0 | 111 | C379 R396 H399 | C379-D381 PolarHBondContact SG-N 3.49Å; C379-D381 PolarHBondContact SG-OD2 3.32Å; D381-R396 IonicContact OD1-NH2 3.45Å; D381-R396 PolarHBondContact OD1-NH2 2.86Å; D381-R396 IonicContact OD2-CZ 3.16Å; D381-R396 IonicContact OD2-NE 2.89Å; D381-R396 PolarHBondContact OD2-NE 3.45Å; D381-R396 IonicContact OD2-NH2 3.45Å; D381-R396 PolarHBondContact OD2-NH2 3.44Å; D381-H399 HydrophobicContact CB-CB 4.27Å; D381-H399 IonicContact OD2-CD2 2.63Å |
| 382 | C | 89.7 | Confident | 87.7 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 24% | 0.243 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -167.1 | 168.9 | 161.9 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | C379 R384 H395 H399 | C379-C382 CarbonylContact C-O 3.59Å; C379-C382 VanDerWaalsContact CB-O 3.27Å; C379-C382 WeakPolarHBondContact CB-O 3.38Å; C382-R384 PolarHBondContact O-N 2.89Å; C382-H395 PolarHBondContact SG-NE2 3.36Å; C382-H399 VanDerWaalsContact SG-CE1 3.56Å; C382-H399 PolarHBondContact SG-NE2 3.39Å; C382-H399 VanDerWaalsContact SG-NE2 3.37Å |
| 383 | D | 86.4 | Confident | 87.8 | Confident | 162 Ų | 162 | 61.9 Ų | 61.9 | 87% | 0.866 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -72.6 | 11.9 | -173.6 | -53.2 | -78.7 | 0 | 0 | 0 | 116.1 | S385 | D383-S385 PolarHBondContact O-N 2.86Š|
| 384 | R | 86.1 | Confident | 88 | Confident | 83 Ų | 83 | 64 Ų | 64 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | trans | -73 | 121.3 | -179.2 | -66.9 | -177.9 | -178.2 | -141.3 | -0.9 | 110.8 | P246 C379 C382 F386 | P246-R384 HydrophobicContact CB-CG 3.91Å; C379-R384 WeakPolarHBondContact CB-O 3.33Å; C379-R384 PolarHBondContact N-O 3.28Å; C382-R384 PolarHBondContact O-N 2.89Å; R384-F386 HydrophobicContact CB-CE2 3.68Å; R384-F386 HydrophobicContact CB-CZ 3.88Å; R384-F386 WeakPolarHBondContact O-CE2 3.4Å | ||
| 385 | S | 89.2 | Confident | 88.3 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 144.3 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | K375 K378 D383 | K375-S385 WeakPolarHBondContact CD-O 3.2Å; K378-S385 WeakPolarHBondContact CB-OG 3.43Å; D383-S385 PolarHBondContact O-N 2.86Å |
| 386 | F | 87.3 | Confident | 88.3 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 150.2 | -172.8 | -61.8 | -90.1 | 0 | 0 | 0 | 112.5 | D244 K375 P376 F377 R384 R388 H391 L392 H395 | D244-F386 HydrophobicContact CB-CD1 4.32Å; K375-F386 CarbonylContact C-O 3.51Å; K375-F386 VanDerWaalsContact C-O 3.25Å; K375-F386 VanDerWaalsContact CA-O 3.29Å; K375-F386 WeakPolarHBondContact CA-O 3.45Å; P376-F386 WeakPolarHBondContact CD-O 3.29Å; F377-F386 HydrophobicContact CB-CB 4.35Å; F377-F386 PolarHBondContact N-O 3.45Å; F377-F386 VanDerWaalsContact N-O 3.16Å; F377-F386 WeakPolarHBondContact O-CD2 3.49Å; F377-F386 PolarHBondContact O-N 3.2Å; R384-F386 HydrophobicContact CB-CE2 3.68Å; R384-F386 HydrophobicContact CB-CZ 3.88Å; R384-F386 WeakPolarHBondContact O-CE2 3.4Å; F386-R388 VanDerWaalsContact C-N 3.34Å; F386-H391 HydrophobicContact CB-CB 4.38Å; F386-H391 HydrophobicContact CD1-CB 3.94Å; F386-H391 HydrophobicContact CG-CB 4.41Å; F386-L392 HydrophobicContact CB-CB 4.36Å; F386-L392 HydrophobicContact CD2-CB 4.05Å; F386-L392 HydrophobicContact CD2-CD1 3.93Å; F386-L392 HydrophobicContact CE2-CD1 4.16Å; F386-L392 HydrophobicContact CG-CB 4.34Å; F386-H395 HydrophobicContact CE1-CB 4.15Å; F386-H395 HydrophobicContact CE2-CB 4.03Å; F386-H395 AromaticContact CE2-CD2 3.17Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.05Å; F386-H395 AromaticContact CE2-CG 3.71Å; F386-H395 AromaticContact CE2-NE2 3.95Å; F386-H395 HydrophobicContact CZ-CB 3.61Å; F386-H395 AromaticContact CZ-CD2 3.34Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.34Å; F386-H395 AromaticContact CZ-CG 3.39Å |
| 387 | S | 86.7 | Confident | 88.3 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -68.8 | -31.2 | 176.5 | 65 | 0 | 0 | 0 | 0 | 113.4 | D244 R369 | D244-S387 WeakPolarHBondContact OD2-CB 3.46Å; D244-S387 PolarHBondContact OD2-N 3.35Å; D244-S387 PolarHBondContact OD2-OG 3.2Å; R369-S387 PolarHBondContact NH1-O 2.87Å |
| 388 | R | 87 | Confident | 88.2 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -130 | 149.8 | -173.6 | -57.7 | 151 | 55.8 | 171.3 | -1.6 | 112.1 | D241 R366 F386 D390 H391 L392 | D241-R388 IonicContact OD1-CZ 3.5Å; D241-R388 IonicContact OD1-NH1 2.87Å; D241-R388 PolarHBondContact OD1-NH1 3.25Å; D241-R388 IonicContact OD1-NH2 3.61Å; R366-R388 HydrophobicContact CG-CG 4.19Å; F386-R388 VanDerWaalsContact C-N 3.34Å; R388-D390 WeakPolarHBondContact CB-OD1 3.39Å; R388-D390 IonicContact CZ-OD1 2.74Å; R388-D390 IonicContact CZ-OD2 3.38Å; R388-D390 IonicContact NE-OD1 3.53Å; R388-D390 PolarHBondContact NE-OD1 3.44Å; R388-D390 IonicContact NE-OD2 2.85Å; R388-D390 IonicContact NH2-OD1 3.49Å; R388-D390 IonicContact NH2-OD2 2.65Å; R388-D390 PolarHBondContact NH2-OD2 3.32Å; R388-H391 WeakPolarHBondContact CD-NE2 3.44Å; R388-H391 PolarHBondContact NE-NE2 3.37Å; R388-H391 PolarHBondContact NH1-CE1 3.47Å; R388-H391 PolarHBondContact NH1-NE2 3.4Å; R388-L392 PolarHBondContact O-N 3.3Å |
| 389 | S | 89.4 | Confident | 88 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 49% | 0.49 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.4 | -24.2 | -178.5 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | F377 A393 | F377-S389 VanDerWaalsContact CD2-N 3.28Å; F377-S389 VanDerWaalsContact CE2-N 3.32Å; S389-A393 WeakPolarHBondContact O-CB 3.17Å; S389-A393 PolarHBondContact O-N 3.26Å |
| 390 | D | 87.5 | Confident | 87.5 | Confident | 71 Ų | 71 | 73 Ų | 73 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.2 | -39.9 | 174.7 | 57.8 | -15.4 | 0 | 0 | 0 | 111.6 | R388 A393 L394 | R388-D390 WeakPolarHBondContact CB-OD1 3.39Å; R388-D390 IonicContact CZ-OD1 2.74Å; R388-D390 IonicContact CZ-OD2 3.38Å; R388-D390 IonicContact NE-OD1 3.53Å; R388-D390 PolarHBondContact NE-OD1 3.44Å; R388-D390 IonicContact NE-OD2 2.85Å; R388-D390 IonicContact NH2-OD1 3.49Å; R388-D390 IonicContact NH2-OD2 2.65Å; R388-D390 PolarHBondContact NH2-OD2 3.32Å; D390-A393 PolarHBondContact O-N 2.93Å; D390-L394 WeakPolarHBondContact O-CG 3.27Å; D390-L394 PolarHBondContact O-N 2.69Å |
| 391 | H | 89.4 | Confident | 86.6 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 17% | 0.167 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 169.4 | -67.6 | -27.3 | 0 | 0 | 0 | 112.3 | D241 D244 F386 R388 A393 L394 H395 | D241-H391 IonicContact OD1-CE1 2.82Å; D241-H391 IonicContact OD1-NE2 3.77Å; D244-H391 IonicContact OD2-CD2 3.75Å; F386-H391 HydrophobicContact CB-CB 4.38Å; F386-H391 HydrophobicContact CD1-CB 3.94Å; F386-H391 HydrophobicContact CG-CB 4.41Å; R388-H391 WeakPolarHBondContact CD-NE2 3.44Å; R388-H391 PolarHBondContact NE-NE2 3.37Å; R388-H391 PolarHBondContact NH1-CE1 3.47Å; R388-H391 PolarHBondContact NH1-NE2 3.4Å; H391-A393 VanDerWaalsContact C-N 3.34Å; H391-A393 PolarHBondContact O-N 2.93Å; H391-L394 PolarHBondContact O-N 3.23Å; H391-H395 VanDerWaalsContact O-CB 3.31Å; H391-H395 WeakPolarHBondContact O-CB 3.45Å; H391-H395 PolarHBondContact O-N 3.38Å |
| 392 | L | 89.7 | Confident | 85.1 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 172.1 | 173.9 | 61.3 | 0 | 0 | 0 | 111.5 | F377 K378 C379 F386 R388 L394 H395 R396 | F377-L392 HydrophobicContact CB-CB 4.06Å; F377-L392 HydrophobicContact CB-CD2 3.81Å; K378-L392 WeakPolarHBondContact O-CD2 3.41Å; C379-L392 HydrophobicContact CB-CD1 3.73Å; F386-L392 HydrophobicContact CB-CB 4.36Å; F386-L392 HydrophobicContact CD2-CB 4.05Å; F386-L392 HydrophobicContact CD2-CD1 3.93Å; F386-L392 HydrophobicContact CE2-CD1 4.16Å; F386-L392 HydrophobicContact CG-CB 4.34Å; R388-L392 PolarHBondContact O-N 3.3Å; L392-L394 PolarHBondContact O-N 3.21Å; L392-H395 PolarHBondContact O-N 3.47Å; L392-R396 HydrophobicContact CD1-CG 3.85Å; L392-R396 HydrophobicContact CG-CG 4.39Å; L392-R396 WeakPolarHBondContact O-CG 3.31Å; L392-R396 PolarHBondContact O-N 3.27Å |
| 393 | A | 89.2 | Confident | 84.8 | Confident | 52 Ų | 52 | 82.7 Ų | 82.7 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S389 D390 H391 | S389-A393 WeakPolarHBondContact O-CB 3.17Å; S389-A393 PolarHBondContact O-N 3.26Å; D390-A393 PolarHBondContact O-N 2.93Å; H391-A393 VanDerWaalsContact C-N 3.34Å; H391-A393 PolarHBondContact O-N 2.93Å |
| 394 | L | 88.9 | Confident | 84.7 | Confident | 97 Ų | 97 | 78.5 Ų | 78.5 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 172.4 | -71.7 | 171.6 | 0 | 0 | 0 | 111.5 | D390 H391 L392 R396 R397 | D390-L394 WeakPolarHBondContact O-CG 3.27Å; D390-L394 PolarHBondContact O-N 2.69Å; H391-L394 PolarHBondContact O-N 3.23Å; L392-L394 PolarHBondContact O-N 3.21Å; L394-R396 PolarHBondContact O-N 3.45Å; L394-R397 WeakPolarHBondContact O-CB 3.37Å; L394-R397 PolarHBondContact O-N 3.37Å |
| 395 | H | 90.1 | Very high | 84.7 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 176.2 | 166.4 | 47.2 | 0 | 0 | 0 | 112.2 | C382 F386 H391 L392 R397 R398 H399 | C382-H395 PolarHBondContact SG-NE2 3.36Å; F386-H395 HydrophobicContact CE1-CB 4.15Å; F386-H395 HydrophobicContact CE2-CB 4.03Å; F386-H395 AromaticContact CE2-CD2 3.17Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.05Å; F386-H395 AromaticContact CE2-CG 3.71Å; F386-H395 AromaticContact CE2-NE2 3.95Å; F386-H395 HydrophobicContact CZ-CB 3.61Å; F386-H395 AromaticContact CZ-CD2 3.34Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.34Å; F386-H395 AromaticContact CZ-CG 3.39Å; H391-H395 VanDerWaalsContact O-CB 3.31Å; H391-H395 WeakPolarHBondContact O-CB 3.45Å; H391-H395 PolarHBondContact O-N 3.38Å; L392-H395 PolarHBondContact O-N 3.47Å; H395-R397 PolarHBondContact O-N 2.94Å; H395-R398 VanDerWaalsContact O-CB 3.28Å; H395-R398 WeakPolarHBondContact O-CB 3.28Å; H395-R398 PolarHBondContact O-N 3.1Å; H395-H399 AromaticContact CE1-CD2 3.79Å; H395-H399 AromaticContact CE1-CE1 3.94Å; H395-H399 AromaticContact CE1-NE2 3.21Å; H395-H399 PolarHBondContact CE1-NE2 3.02Å; H395-H399 AromaticContact NE2-CD2 3.84Å; H395-H399 AromaticContact NE2-NE2 3.23Å; H395-H399 PolarHBondContact NE2-NE2 3.22Å |
| 396 | R | 88 | Confident | 84.4 | Confident | 102 Ų | 102 | 80.3 Ų | 80.3 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -24.5 | 178.9 | -70.5 | -171.4 | 78.1 | -153 | -0.4 | 113.8 | D381 L392 L394 R398 H399 | D381-R396 IonicContact OD1-NH2 3.45Å; D381-R396 PolarHBondContact OD1-NH2 2.86Å; D381-R396 IonicContact OD2-CZ 3.16Å; D381-R396 IonicContact OD2-NE 2.89Å; D381-R396 PolarHBondContact OD2-NE 3.45Å; D381-R396 IonicContact OD2-NH2 3.45Å; D381-R396 PolarHBondContact OD2-NH2 3.44Å; L392-R396 HydrophobicContact CD1-CG 3.85Å; L392-R396 HydrophobicContact CG-CG 4.39Å; L392-R396 WeakPolarHBondContact O-CG 3.31Å; L392-R396 PolarHBondContact O-N 3.27Å; L394-R396 PolarHBondContact O-N 3.45Å; R396-R398 PolarHBondContact O-N 3.2Å; R396-H399 PolarHBondContact O-N 2.99Å |
| 397 | R | 88.6 | Confident | 84.2 | Confident | 158 Ų | 158 | 84.2 Ų | 84.2 | 60% | 0.596 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64 | -27.9 | 170.3 | -64.3 | 174.2 | -171.2 | -173 | 0.7 | 112.4 | L394 H395 H399 M400 | L394-R397 WeakPolarHBondContact O-CB 3.37Å; L394-R397 PolarHBondContact O-N 3.37Å; H395-R397 PolarHBondContact O-N 2.94Å; R397-H399 VanDerWaalsContact C-N 3.32Å; R397-M400 WeakPolarHBondContact O-CB 3.42Å; R397-M400 PolarHBondContact O-N 2.87Å; R397-M400 VanDerWaalsContact O-N 3.1Å |
| 398 | R | 83.8 | Confident | 84.1 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 47% | 0.472 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.4 | -29.1 | 175.8 | -166.4 | 179.3 | 66.7 | -158.9 | 0.5 | 112.4 | H395 R396 M400 L401 | H395-R398 VanDerWaalsContact O-CB 3.28Å; H395-R398 WeakPolarHBondContact O-CB 3.28Å; H395-R398 PolarHBondContact O-N 3.1Å; R396-R398 PolarHBondContact O-N 3.2Å; R398-M400 PolarHBondContact O-N 3.41Å; R398-L401 PolarHBondContact O-N 3.17Å |
| 399 | H | 85 | Confident | 83.8 | Confident | 56 Ų | 56 | 91.6 Ų | 91.6 | 26% | 0.259 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -9.9 | 170.6 | -63.7 | -61.9 | 0 | 0 | 0 | 113 | C379 D381 C382 H395 R396 R397 | C379-H399 PolarHBondContact SG-NE2 3.17Å; C379-H399 VanDerWaalsContact SG-NE2 3.38Å; D381-H399 HydrophobicContact CB-CB 4.27Å; D381-H399 IonicContact OD2-CD2 2.63Å; C382-H399 VanDerWaalsContact SG-CE1 3.56Å; C382-H399 PolarHBondContact SG-NE2 3.39Å; C382-H399 VanDerWaalsContact SG-NE2 3.37Å; H395-H399 AromaticContact CE1-CD2 3.79Å; H395-H399 AromaticContact CE1-CE1 3.94Å; H395-H399 AromaticContact CE1-NE2 3.21Å; H395-H399 PolarHBondContact CE1-NE2 3.02Å; H395-H399 AromaticContact NE2-CD2 3.84Å; H395-H399 AromaticContact NE2-NE2 3.23Å; H395-H399 PolarHBondContact NE2-NE2 3.22Å; R396-H399 PolarHBondContact O-N 2.99Å; R397-H399 VanDerWaalsContact C-N 3.32Å |
| 400 | M | 79.6 | Confident | 83.4 | Confident | 145 Ų | 145 | 93.2 Ų | 93.2 | 71% | 0.714 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 11 | 170.3 | -55.5 | 170.1 | 176 | 0 | 0 | 112.2 | R397 R398 | R397-M400 WeakPolarHBondContact O-CB 3.42Å; R397-M400 PolarHBondContact O-N 2.87Å; R397-M400 VanDerWaalsContact O-N 3.1Å; R398-M400 PolarHBondContact O-N 3.41Å |
| 401 | L | 70.8 | Confident | 83.1 | Confident | 148 Ų | 148 | 95.1 Ų | 95.1 | 78% | 0.775 | 47% | 0.467 | S | S | * | . | trans | -120.3 | 22.7 | 175.6 | -64.1 | 173.9 | 0 | 0 | 0 | 111.1 | R398 | R398-L401 PolarHBondContact O-N 3.17Š| ||
| 402 | V | 53.9 | Low | 82.5 | Confident | 179 Ų | 179 | 100.5 Ų | 100.5 | 100% | 1.085 | 49% | 0.494 | S | S | * | . | trans | -125.9 | 0 | 171.6 | -175.8 | 0 | 0 | 0 | 0 | 106.6 |
Retrieved 402 of 402 residues in 915.6 ms
(Link to these results)