| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.2 | Very low | 42.9 | Very low | 230 Ų | 230 | 150 Ų | 150 | 100% | 1.133 | 82% | 0.819 | S | S | * | * | 0 | 74.7 | 0 | -66.2 | 165.9 | 175.4 | 0 | 0 | 105.3 | |||||
| 2 | T | 38.1 | Very low | 42.9 | Very low | 117 Ų | 117 | 153.6 Ų | 153.6 | 72% | 0.718 | 82% | 0.821 | S | S | * | * | 74.2 | 120.9 | 94.3 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3 | D | 39.1 | Very low | 43.1 | Very low | 141 Ų | 141 | 157.3 Ų | 157.3 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | cis | -158.1 | 142.2 | 0.3 | -76.4 | -46.6 | 0 | 0 | 0 | 106.2 | ||||
| 4 | N | 43 | Very low | 43.3 | Very low | 168 Ų | 168 | 160.8 Ų | 160.8 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -115.5 | 108.8 | 170.5 | -109.8 | -19.2 | 0 | 0 | 0 | 108.6 | ||||
| 5 | V | 45.9 | Very low | 43.3 | Very low | 123 Ų | 123 | 166.1 Ų | 166.1 | 75% | 0.745 | 84% | 0.835 | S | S | * | * | trans | -80.5 | 116.1 | -180 | 177.5 | 0 | 0 | 0 | 0 | 109 | E7 | V5-E7 PolarHBondContact O-N 3Š| ||
| 6 | N | 42.7 | Very low | 43.2 | Very low | 158 Ų | 158 | 163.2 Ų | 163.2 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | -75.3 | 106.2 | 170.1 | -81.5 | -26.9 | 0 | 0 | 0 | 109.8 | S8 | N6-S8 PolarHBondContact O-N 3.39Š| ||
| 7 | E | 45.9 | Very low | 43.6 | Very low | 184 Ų | 184 | 167.5 Ų | 167.5 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -82.3 | 102.1 | 165.3 | -74 | -175.9 | 164.6 | 0 | 0 | 110 | V5 | V5-E7 PolarHBondContact O-N 3Š| ||
| 8 | S | 45.6 | Very low | 43.9 | Very low | 104 Ų | 104 | 169.2 Ų | 169.2 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -83.7 | 114.4 | 170.8 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | N6 V10 | N6-S8 PolarHBondContact O-N 3.39Å; S8-V10 PolarHBondContact O-N 3.06Å | ||
| 9 | C | 45.7 | Very low | 43.9 | Very low | 113 Ų | 113 | 168.8 Ų | 168.8 | 76% | 0.764 | 84% | 0.842 | S | S | * | * | trans | -72.7 | 121.5 | 170.7 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 10 | V | 45.3 | Very low | 44 | Very low | 115 Ų | 115 | 168.2 Ų | 168.2 | 70% | 0.697 | 84% | 0.84 | S | S | * | * | trans | -86 | 111.5 | 176 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | S8 F12 | S8-V10 PolarHBondContact O-N 3.06Å; V10-F12 PolarHBondContact O-N 3.15Å | ||
| 11 | F | 40.9 | Very low | 43.9 | Very low | 197 Ų | 197 | 170.1 Ų | 170.1 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -78.7 | 110.2 | 173.5 | -78.7 | -85.5 | 0 | 0 | 0 | 111.1 | K13 | F11-K13 PolarHBondContact O-N 2.97Š| ||
| 12 | F | 43.1 | Very low | 44.1 | Very low | 193 Ų | 193 | 168.1 Ų | 168.1 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -72.8 | 108.8 | 169.4 | -83.9 | -87.8 | 0 | 0 | 0 | 111.1 | V10 K14 | V10-F12 PolarHBondContact O-N 3.15Å; F12-K14 PolarHBondContact O-N 3.19Å; F12-K14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | K | 44.5 | Very low | 44.1 | Very low | 202 Ų | 202 | 172.2 Ų | 172.2 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | -72.8 | 100.5 | 170.4 | -170 | 171.7 | -177.1 | 172.1 | 0 | 109.6 | F11 R15 | F11-K13 PolarHBondContact O-N 2.97Å; K13-R15 PolarHBondContact O-N 2.74Å | ||
| 14 | K | 46.2 | Very low | 44.2 | Very low | 206 Ų | 206 | 174.6 Ų | 174.6 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.5 | 170 | -93 | -179.8 | 175.9 | 174 | 0 | 109.6 | F12 | F12-K14 PolarHBondContact O-N 3.19Å; F12-K14 VanDerWaalsContact O-N 3.17Å |
| 15 | R | 43.3 | Very low | 43.8 | Very low | 240 Ų | 240 | 170.4 Ų | 170.4 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 130.1 | 171.7 | -75.7 | 178.7 | 173.4 | 179 | -2.3 | 109.7 | K13 R17 | K13-R15 PolarHBondContact O-N 2.74Å; R15-R17 PolarHBondContact O-N 2.8Å |
| 16 | S | 42.2 | Very low | 43.2 | Very low | 120 Ų | 120 | 170.1 Ų | 170.1 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 121.8 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 17 | R | 50.1 | Low | 42.8 | Very low | 236 Ų | 236 | 168 Ų | 168 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 131.9 | 173.6 | -76.8 | -176.6 | 168 | 169.3 | -3.8 | 109.6 | R15 | R15-R17 PolarHBondContact O-N 2.8Š|
| 18 | K | 48.5 | Very low | 42.3 | Very low | 198 Ų | 198 | 164.7 Ų | 164.7 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 145.4 | 176.4 | -73.9 | 176.1 | 174.7 | 178.2 | 0 | 110.7 | I20 | K18-I20 PolarHBondContact O-N 3.36Š|
| 19 | N | 43.1 | Very low | 42 | Very low | 163 Ų | 163 | 168.1 Ų | 168.1 | 87% | 0.872 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 125.8 | 179.6 | -64.1 | -27.4 | 0 | 0 | 0 | 112 | ||
| 20 | I | 46.2 | Very low | 41.7 | Very low | 156 Ų | 156 | 169.8 Ų | 169.8 | 80% | 0.8 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 123.2 | 167.5 | -95.7 | 161.8 | 0 | 0 | 0 | 108.2 | K18 | K18-I20 PolarHBondContact O-N 3.36Š|
| 21 | R | 43.3 | Very low | 41.5 | Very low | 208 Ų | 208 | 173.6 Ų | 173.6 | 79% | 0.785 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 120.6 | 168.2 | -91.6 | 177 | 164 | 172.8 | -6.4 | 108.2 | ||
| 22 | Q | 42.7 | Very low | 41.2 | Very low | 188 Ų | 188 | 169 Ų | 169 | 88% | 0.879 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 132.1 | 161.1 | -78.5 | -177.7 | -26.5 | 0 | 0 | 108.8 | ||
| 23 | K | 38.9 | Very low | 41.2 | Very low | 204 Ų | 204 | 165.9 Ų | 165.9 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | trans | -106.6 | 109.8 | -179.3 | -175 | -177.7 | -178 | -177.2 | 0 | 106.6 | ||||
| 24 | E | 41.3 | Very low | 41.1 | Very low | 190 Ų | 190 | 162.1 Ų | 162.1 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -84.2 | 125.6 | 166.5 | -69.8 | -165.9 | 165.1 | 0 | 0 | 108.6 | ||||
| 25 | G | 34.2 | Very low | 41 | Very low | 80 Ų | 80 | 161.4 Ų | 161.4 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -82.1 | 113.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 26 | S | 34.7 | Very low | 41.1 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -145.9 | 131.3 | 147.1 | -166.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 27 | S | 32.7 | Very low | 41.2 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -43 | 119.5 | -177.5 | 177.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 28 | S | 36.7 | Very low | 40.8 | Very low | 114 Ų | 114 | 158 Ų | 158 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | 161.1 | 154.1 | 125.9 | 53.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 29 | E | 38.4 | Very low | 40.8 | Very low | 176 Ų | 176 | 160.3 Ų | 160.3 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | trans | -78.4 | 139.8 | -153.5 | -62.1 | 166.1 | 161 | 0 | 0 | 112.7 | ||||
| 30 | D | 39 | Very low | 41.1 | Very low | 148 Ų | 148 | 164 Ų | 164 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 72.5 | 127 | 157 | -51.6 | -35.3 | 0 | 0 | 0 | 119.6 | ||
| 31 | E | 40.9 | Very low | 41.4 | Very low | 194 Ų | 194 | 164.9 Ų | 164.9 | 91% | 0.907 | 83% | 0.833 | S | S | * | * | trans | 85.5 | 88.4 | 171.5 | -50.2 | -170 | 172.4 | 0 | 0 | 118.1 | ||||
| 32 | A | 36 | Very low | 42 | Very low | 101 Ų | 101 | 162.5 Ų | 162.5 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | -121.7 | 108.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 33 | V | 43.3 | Very low | 42.7 | Very low | 127 Ų | 127 | 158.1 Ų | 158.1 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -64.6 | 132.6 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 112.5 | K35 | V33-K35 PolarHBondContact O-N 3.18Š| ||
| 34 | I | 41.6 | Very low | 43.7 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | trans | -85.2 | 103.6 | 177.5 | -55.4 | 170.5 | 0 | 0 | 0 | 109.7 | T36 | I34-T36 HydrophobicContact CG2-CG2 4.46Š| ||
| 35 | K | 44.3 | Very low | 44.3 | Very low | 191 Ų | 191 | 154.5 Ų | 154.5 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -93.5 | 115.3 | 166.6 | -76.7 | -178.8 | 178.6 | 175.2 | 0 | 110.5 | V33 | V33-K35 PolarHBondContact O-N 3.18Š| ||
| 36 | T | 45.6 | Very low | 45.5 | Very low | 129 Ų | 129 | 158.4 Ų | 158.4 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -87.1 | 113.2 | 171.8 | 41.4 | 0 | 0 | 0 | 0 | 110.1 | I34 | I34-T36 HydrophobicContact CG2-CG2 4.46Š| ||
| 37 | Q | 44.1 | Very low | 46.4 | Very low | 188 Ų | 188 | 160.6 Ų | 160.6 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84 | 125.2 | 170.5 | -72.3 | -175.1 | -13.8 | 0 | 0 | 110.4 | R39 | Q37-R39 PolarHBondContact O-N 3.07Š|
| 38 | K | 42.3 | Very low | 47.5 | Very low | 208 Ų | 208 | 164.6 Ų | 164.6 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 121.9 | 174.4 | -74.3 | 178.1 | 177.5 | 175.9 | 0 | 109.8 | R40 | K38-R40 PolarHBondContact O-N 3.5Š|
| 39 | R | 46.7 | Very low | 48.5 | Very low | 246 Ų | 246 | 165.8 Ų | 165.8 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 128.7 | 171.2 | -84.3 | -174.5 | 160.2 | -175.9 | -6.1 | 110.3 | Q37 | Q37-R39 PolarHBondContact O-N 3.07Š|
| 40 | R | 50.8 | Low | 49.7 | Very low | 241 Ų | 241 | 164 Ų | 164 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 136.5 | 172.4 | -68.3 | -179 | 177.1 | -179.8 | -1.1 | 109.8 | K38 I42 | K38-R40 PolarHBondContact O-N 3.5Å; R40-I42 PolarHBondContact O-N 2.95Å |
| 41 | H | 52.3 | Low | 50.2 | Low | 173 Ų | 173 | 162.1 Ų | 162.1 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | -69.9 | 115.6 | -178.9 | -151.3 | -80.7 | 0 | 0 | 0 | 109 | N43 | H41-N43 PolarHBondContact O-N 3.33Š| ||
| 42 | I | 56 | Low | 50.5 | Low | 159 Ų | 159 | 162 Ų | 162 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -75.9 | 113.5 | 171.8 | -61.3 | 171.3 | 0 | 0 | 0 | 106.3 | R40 N44 | R40-I42 PolarHBondContact O-N 2.95Å; I42-N44 PolarHBondContact O-N 3.49Å | ||
| 43 | N | 57.1 | Low | 50.7 | Low | 95 Ų | 95 | 167.5 Ų | 167.5 | 51% | 0.508 | 80% | 0.803 | S | S | . | * | trans | -67.6 | 131.6 | 176.6 | -74.8 | -14.7 | 0 | 0 | 0 | 109.7 | H41 | H41-N43 PolarHBondContact O-N 3.33Š| ||
| 44 | N | 60 | Low | 50.7 | Low | 128 Ų | 128 | 167 Ų | 167 | 68% | 0.684 | 81% | 0.805 | S | S | * | * | trans | -65.5 | 132 | 175 | -170.6 | 4.2 | 0 | 0 | 0 | 109.3 | I42 L46 Y47 | I42-N44 PolarHBondContact O-N 3.49Å; N44-L46 PolarHBondContact O-N 3.46Å; N44-Y47 PolarHBondContact O-N 2.9Å; N44-Y47 VanDerWaalsContact O-N 3.09Å | ||
| 45 | M | 54 | Low | 51 | Low | 190 Ų | 190 | 164.2 Ų | 164.2 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -3.8 | -172.1 | -163.8 | 161.7 | 67 | 0 | 0 | 114.4 | Y47 | M45-Y47 VanDerWaalsContact C-N 3.33Š|
| 46 | L | 58.1 | Low | 50.5 | Low | 163 Ų | 163 | 162 Ų | 162 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 5.1 | 173.6 | -139.1 | 74 | 0 | 0 | 0 | 114 | N44 | N44-L46 PolarHBondContact O-N 3.46Š|
| 47 | Y | 54.2 | Low | 50.5 | Low | 164 Ų | 164 | 165 Ų | 165 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | trans | -108.7 | 103.4 | 178.5 | -138.9 | -90.2 | 0 | 0 | 0 | 110.2 | N44 M45 Q49 | N44-Y47 PolarHBondContact O-N 2.9Å; N44-Y47 VanDerWaalsContact O-N 3.09Å; M45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-Q49 HydrophobicContact CD1-CG 4.21Å; Y47-Q49 PolarHBondContact O-N 3.48Å | ||
| 48 | Q | 56 | Low | 49.9 | Very low | 197 Ų | 197 | 163.2 Ų | 163.2 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -71.6 | 120.4 | 168.8 | -78.3 | 178.7 | -30.4 | 0 | 0 | 109.1 | ||||
| 49 | Q | 57.4 | Low | 49.6 | Very low | 139 Ų | 139 | 159 Ų | 159 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | trans | -106.5 | 136.6 | 165.8 | -69.1 | -171.7 | -27 | 0 | 0 | 108.7 | Y47 | Y47-Q49 HydrophobicContact CD1-CG 4.21Å; Y47-Q49 PolarHBondContact O-N 3.48Å | ||
| 50 | T | 62.7 | Low | 49.2 | Very low | 138 Ų | 138 | 152.7 Ų | 152.7 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -68 | 135.5 | 171.1 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | K52 | T50-K52 PolarHBondContact O-N 3.4Å; T50-K52 VanDerWaalsContact O-N 3.13Å | ||
| 51 | S | 49.9 | Very low | 48.4 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -62.6 | 115.7 | 179.1 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 52 | K | 47.7 | Very low | 47.8 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | 71.4 | 89 | 150.2 | -53.9 | 178.7 | -177.3 | 179 | 0 | 117.1 | T50 | T50-K52 PolarHBondContact O-N 3.4Å; T50-K52 VanDerWaalsContact O-N 3.13Å | ||
| 53 | F | 40.6 | Very low | 47.1 | Very low | 216 Ų | 216 | 143.5 Ų | 143.5 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | trans | -121 | 79.1 | 141 | -137.6 | -89.5 | 0 | 0 | 0 | 107.4 | G55 | F53-G55 PolarHBondContact O-N 3.37Š| ||
| 54 | S | 43.9 | Very low | 46.4 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -77 | 77.1 | 179.2 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | N56 | S54-N56 PolarHBondContact O-N 3.06Š| ||
| 55 | G | 46.7 | Very low | 45.6 | Very low | 65 Ų | 65 | 144.6 Ų | 144.6 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 101.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F53 K57 | F53-G55 PolarHBondContact O-N 3.37Å; G55-K57 PolarHBondContact O-N 2.95Å | ||
| 56 | N | 34.7 | Very low | 44.9 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -60.3 | 113.4 | 177.8 | -162.7 | 19.8 | 0 | 0 | 0 | 110.7 | S54 | S54-N56 PolarHBondContact O-N 3.06Š| ||
| 57 | K | 44.3 | Very low | 44.4 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -135.9 | 93.1 | 166.5 | -91.6 | -175.2 | 178.1 | 174.5 | 0 | 111.2 | G55 | G55-K57 PolarHBondContact O-N 2.95Š| ||
| 58 | N | 33.1 | Very low | 43.6 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 122.1 | 149.8 | -77.1 | -16.5 | 0 | 0 | 0 | 108.5 | ||||
| 59 | C | 35.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -163.4 | 126.5 | 139.6 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 60 | S | 37.4 | Very low | 42.2 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -64.5 | 152.8 | 176.5 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 61 | S | 34.3 | Very low | 41.3 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -27.7 | 129.3 | 155.8 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 62 | D | 40.7 | Very low | 41.3 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | 177.4 | 159.2 | 115.5 | -76.2 | -22.3 | 0 | 0 | 0 | 111 | |||||
| 63 | D | 39.9 | Very low | 41.6 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -46.8 | 158.5 | -164.4 | -81.9 | -53.6 | 0 | 0 | 0 | 120.5 | ||||
| 64 | D | 42.5 | Very low | 42.2 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | 79.4 | 123.6 | 143.1 | -74.4 | -38.1 | 0 | 0 | 0 | 122.5 | ||||
| 65 | S | 43.3 | Very low | 43.4 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 81.5 | 107.6 | 141.8 | 70.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 66 | D | 39 | Very low | 44.9 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | 30.4 | 96.7 | 133.8 | -60.9 | -31.9 | 0 | 0 | 0 | 119.2 | ||||
| 67 | K | 47.4 | Very low | 47.3 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -157.5 | 111.8 | 144.8 | -126.7 | 172.9 | -177.7 | 177.3 | 0 | 112 | D69 | K67-D69 PolarHBondContact O-N 3.25Š| ||
| 68 | F | 38.7 | Very low | 49.3 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -68.5 | 111.9 | 167.4 | -105.8 | -97.3 | 0 | 0 | 0 | 109.1 | ||||
| 69 | D | 41.5 | Very low | 51.9 | Low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -123.4 | 114.2 | 162.7 | -98.9 | -33.6 | 0 | 0 | 0 | 110.3 | K67 T71 | K67-D69 PolarHBondContact O-N 3.25Å; D69-T71 VanDerWaalsContact C-N 3.29Å; D69-T71 PolarHBondContact O-N 3.34Å | ||
| 70 | N | 41.6 | Very low | 54.3 | Low | 146 Ų | 146 | 135.4 Ų | 135.4 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -74.5 | 62 | -174.3 | -77.5 | -39.4 | 0 | 0 | 0 | 113 | ||||
| 71 | T | 45.2 | Very low | 56.6 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -146.2 | 67.8 | 175.8 | -35.5 | 0 | 0 | 0 | 0 | 112.5 | D69 | D69-T71 VanDerWaalsContact C-N 3.29Å; D69-T71 PolarHBondContact O-N 3.34Å | ||
| 72 | T | 49.8 | Very low | 58.9 | Low | 114 Ų | 114 | 137.9 Ų | 137.9 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -132 | 134.7 | 162.8 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | N74 | T72-N74 PolarHBondContact O-N 3.39Š|
| 73 | P | 53.4 | Low | 61.1 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | trans | -58.4 | 128.9 | 180 | 25.4 | -32.7 | 0 | 0 | 0 | 107.7 | T75 | P73-T75 PolarHBondContact O-N 2.89Å; P73-T75 PolarHBondContact O-OG1 2.95Å; P73-T75 VanDerWaalsContact O-OG1 3.11Å | ||
| 74 | N | 53.2 | Low | 63.2 | Low | 162 Ų | 162 | 137.8 Ų | 137.8 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | -51.1 | 80.5 | 178.3 | -87.4 | 9.6 | 0 | 0 | 0 | 110.8 | T72 V76 | T72-N74 PolarHBondContact O-N 3.39Å; N74-V76 PolarHBondContact O-N 3.39Å; N74-V76 VanDerWaalsContact O-N 3.13Å | ||
| 75 | T | 69.2 | Low | 65.1 | Low | 107 Ų | 107 | 138.6 Ų | 138.6 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | trans | -81.9 | 96 | 173 | -58.2 | 0 | 0 | 0 | 0 | 104.3 | P73 T77 | P73-T75 PolarHBondContact O-N 2.89Å; P73-T75 PolarHBondContact O-OG1 2.95Å; P73-T75 VanDerWaalsContact O-OG1 3.11Å; T75-T77 VanDerWaalsContact C-N 3.28Å; T75-T77 HydrophobicContact CG2-CG2 4.15Å; T75-T77 PolarHBondContact O-N 3.16Å | ||
| 76 | V | 78.8 | Confident | 66.6 | Low | 103 Ų | 103 | 137.7 Ų | 137.7 | 62% | 0.624 | 73% | 0.725 | S | S | * | * | trans | -68.9 | 92.5 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | N74 Y78 | N74-V76 PolarHBondContact O-N 3.39Å; N74-V76 VanDerWaalsContact O-N 3.13Å; V76-Y78 HydrophobicContact CG1-CE1 4.43Å; V76-Y78 HydrophobicContact CG1-CE2 4.2Å; V76-Y78 PolarHBondContact O-N 3.37Å | ||
| 77 | T | 83.8 | Confident | 68.5 | Low | 101 Ų | 101 | 140 Ų | 140 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | trans | -79.4 | 114.7 | 169.2 | 57.7 | 0 | 0 | 0 | 0 | 108.4 | T75 K79 | T75-T77 VanDerWaalsContact C-N 3.28Å; T75-T77 HydrophobicContact CG2-CG2 4.15Å; T75-T77 PolarHBondContact O-N 3.16Å; T77-K79 PolarHBondContact O-N 3.08Å | ||
| 78 | Y | 87 | Confident | 69.7 | Low | 213 Ų | 213 | 135.6 Ų | 135.6 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | trans | -72.7 | 107.3 | 170 | -67.7 | -84 | 0 | 0 | 0 | 109.2 | V76 A80 | V76-Y78 HydrophobicContact CG1-CE1 4.43Å; V76-Y78 HydrophobicContact CG1-CE2 4.2Å; V76-Y78 PolarHBondContact O-N 3.37Å; Y78-A80 PolarHBondContact O-N 2.87Å | ||
| 79 | K | 86.6 | Confident | 71.4 | Confident | 185 Ų | 185 | 129.5 Ų | 129.5 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -70.4 | 129.1 | 172.1 | -65.5 | -177.6 | -179.6 | 178 | 0 | 108.6 | T77 | T77-K79 PolarHBondContact O-N 3.08Š| ||
| 80 | A | 87.3 | Confident | 72.7 | Confident | 38 Ų | 38 | 130.6 Ų | 130.6 | 31% | 0.314 | 68% | 0.683 | S | S | . | * | trans | -65.1 | 151.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y78 H82 | Y78-A80 PolarHBondContact O-N 2.87Å; A80-H82 PolarHBondContact O-CD2 3.32Å; A80-H82 PolarHBondContact O-N 3.22Å; A80-H82 VanDerWaalsContact O-N 3.12Å | ||
| 81 | S | 86.4 | Confident | 74.1 | Confident | 93 Ų | 93 | 130.8 Ų | 130.8 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | trans | -65.4 | -11.1 | 176.4 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | S83 | S81-S83 PolarHBondContact O-N 3.04Å; S81-S83 PolarHBondContact OG-OG 3.23Å; S81-S83 VanDerWaalsContact OG-OG 3.13Å | ||
| 82 | H | 82.6 | Confident | 75.4 | Confident | 167 Ų | 167 | 131.3 Ų | 131.3 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | 51 | 21 | -176.2 | -66.8 | -80.9 | 0 | 0 | 0 | 114.8 | A80 | A80-H82 PolarHBondContact O-CD2 3.32Å; A80-H82 PolarHBondContact O-N 3.22Å; A80-H82 VanDerWaalsContact O-N 3.12Å | ||
| 83 | S | 86.3 | Confident | 76.7 | Confident | 67 Ų | 67 | 130 Ų | 130 | 47% | 0.469 | 66% | 0.66 | S | S | . | * | trans | -75.7 | 141.4 | 173.3 | 55.7 | 0 | 0 | 0 | 0 | 110.5 | S81 | S81-S83 PolarHBondContact O-N 3.04Å; S81-S83 PolarHBondContact OG-OG 3.23Å; S81-S83 VanDerWaalsContact OG-OG 3.13Å | ||
| 84 | K | 83.9 | Confident | 78.1 | Confident | 217 Ų | 217 | 130 Ų | 130 | 94% | 0.943 | 67% | 0.67 | S | S | * | * | trans | -78.5 | -8.8 | 172.8 | -68 | -179.9 | -178.5 | 174.6 | 0 | 112.9 | ||||
| 85 | E | 82.1 | Confident | 79.7 | Confident | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -68.4 | 134.1 | 179.3 | -66.9 | 174.9 | 179.4 | 0 | 0 | 110.4 | ||
| 86 | S | 75.5 | Confident | 80.5 | Confident | 86 Ų | 86 | 123.9 Ų | 123.9 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | trans | -64.2 | 141.9 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 110 | I88 | S86-I88 PolarHBondContact O-N 2.97Å; S86-I88 VanDerWaalsContact O-N 3.17Å; S86-I88 WeakPolarHBondContact OG-CD1 3.45Å; S86-I88 VanDerWaalsContact OG-CG1 3.27Å; S86-I88 WeakPolarHBondContact OG-CG1 3.46Å | ||
| 87 | R | 78.2 | Confident | 80.9 | Confident | 211 Ų | 211 | 122.8 Ų | 122.8 | 80% | 0.796 | 64% | 0.636 | S | S | * | * | trans | -73.7 | 2.5 | 177 | -68.9 | -176.7 | 179.1 | 170 | -1 | 113.9 | T89 | R87-T89 PolarHBondContact O-N 3.48Š| ||
| 88 | I | 72.3 | Confident | 81.1 | Confident | 103 Ų | 103 | 121.1 Ų | 121.1 | 53% | 0.528 | 63% | 0.625 | S | S | . | * | trans | -65.1 | 102.4 | 179.5 | -63.1 | 169 | 0 | 0 | 0 | 108.1 | S86 H92 I93 | S86-I88 PolarHBondContact O-N 2.97Å; S86-I88 VanDerWaalsContact O-N 3.17Å; S86-I88 WeakPolarHBondContact OG-CD1 3.45Å; S86-I88 VanDerWaalsContact OG-CG1 3.27Å; S86-I88 WeakPolarHBondContact OG-CG1 3.46Å; I88-H92 HydrophobicContact CG2-CB 3.76Å; I88-I93 HydrophobicContact CG2-CD1 4.21Å; I88-I93 HydrophobicContact CG2-CG1 4Å | ||
| 89 | T | 74.5 | Confident | 81.1 | Confident | 69 Ų | 69 | 117.9 Ų | 117.9 | 42% | 0.423 | 62% | 0.618 | S | S | . | * | trans | -74.6 | 167.7 | 171.5 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | R87 E91 H92 | R87-T89 PolarHBondContact O-N 3.48Å; T89-E91 PolarHBondContact O-N 2.99Å; T89-H92 PolarHBondContact O-N 2.95Å; T89-H92 VanDerWaalsContact O-N 3.11Å; T89-H92 PolarHBondContact OG1-CD2 3.49Å | ||
| 90 | K | 69.6 | Low | 81.2 | Confident | 164 Ų | 164 | 115.2 Ų | 115.2 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -55.7 | -22.5 | 179 | -66.8 | 177.7 | -178.8 | 174.8 | 0 | 113.6 | H92 I93 | K90-H92 PolarHBondContact O-N 2.92Å; K90-I93 PolarHBondContact O-N 2.95Å |
| 91 | E | 70 | Confident | 81.4 | Confident | 150 Ų | 150 | 118 Ų | 118 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -64.3 | -23.8 | 179 | -63.5 | 170.3 | -167.3 | 0 | 0 | 113.5 | T89 A96 | T89-E91 PolarHBondContact O-N 2.99Å; E91-A96 WeakPolarHBondContact O-CB 3.32Å |
| 92 | H | 72.2 | Confident | 81.7 | Confident | 138 Ų | 138 | 118.1 Ų | 118.1 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -97.9 | 7.9 | -177.8 | -62.7 | -64.1 | 0 | 0 | 0 | 113.4 | I88 T89 K90 | I88-H92 HydrophobicContact CG2-CB 3.76Å; T89-H92 PolarHBondContact O-N 2.95Å; T89-H92 VanDerWaalsContact O-N 3.11Å; T89-H92 PolarHBondContact OG1-CD2 3.49Å; K90-H92 PolarHBondContact O-N 2.92Å |
| 93 | I | 77.4 | Confident | 82.2 | Confident | 85 Ų | 85 | 115.4 Ų | 115.4 | 44% | 0.436 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -115.7 | 162 | -171.7 | -57.5 | 176.2 | 0 | 0 | 0 | 109.2 | I88 K90 T95 A96 | I88-I93 HydrophobicContact CG2-CD1 4.21Å; I88-I93 HydrophobicContact CG2-CG1 4Å; K90-I93 PolarHBondContact O-N 2.95Å; I93-T95 PolarHBondContact O-N 3.16Å; I93-A96 WeakPolarHBondContact O-CB 3.15Å; I93-A96 PolarHBondContact O-N 3.42Å |
| 94 | A | 84.2 | Confident | 82.4 | Confident | 112 Ų | 112 | 116.4 Ų | 116.4 | 93% | 0.926 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -12.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 95 | T | 85.6 | Confident | 82.7 | Confident | 99 Ų | 99 | 114.1 Ų | 114.1 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 19.8 | 176.1 | 59.7 | 0 | 0 | 0 | 0 | 113 | I93 T97 | I93-T95 PolarHBondContact O-N 3.16Å; T95-T97 PolarHBondContact O-N 2.93Å |
| 96 | A | 85.6 | Confident | 83.1 | Confident | 41 Ų | 41 | 110.3 Ų | 110.3 | 34% | 0.339 | 60% | 0.598 | S | S | . | * | trans | -59.8 | 128.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E91 I93 | E91-A96 WeakPolarHBondContact O-CB 3.32Å; I93-A96 WeakPolarHBondContact O-CB 3.15Å; I93-A96 PolarHBondContact O-N 3.42Å | ||
| 97 | T | 87.7 | Confident | 83.9 | Confident | 79 Ų | 79 | 106.6 Ų | 106.6 | 49% | 0.485 | 57% | 0.571 | S | S | . | * | trans | -102.1 | 137.2 | 177.1 | 38.2 | 0 | 0 | 0 | 0 | 110 | T95 E99 A162 | T95-T97 PolarHBondContact O-N 2.93Å; T97-E99 PolarHBondContact O-N 2.92Å; T97-E99 PolarHBondContact OG1-OE1 3.13Å; T97-A162 WeakPolarHBondContact CA-O 3.27Å | ||
| 98 | V | 87.3 | Confident | 84.5 | Confident | 66 Ų | 66 | 98 Ų | 98 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | trans | -80.5 | 107.6 | 173.2 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | V100 A162 | V98-V100 HydrophobicContact CG1-CB 4.29Å; V98-V100 HydrophobicContact CG1-CG2 3.98Å; V98-A162 PolarHBondContact N-O 2.88Å | ||
| 99 | E | 87.4 | Confident | 85.3 | Confident | 145 Ų | 145 | 94.5 Ų | 94.5 | 68% | 0.678 | 53% | 0.527 | S | S | * | . | trans | -110.2 | 32.4 | -176.9 | -64.3 | 175.2 | -166.8 | 0 | 0 | 111.8 | T97 | T97-E99 PolarHBondContact O-N 2.92Å; T97-E99 PolarHBondContact OG1-OE1 3.13Å | ||
| 100 | V | 89.9 | Confident | 86.1 | Confident | 129 Ų | 129 | 91.6 Ų | 91.6 | 78% | 0.782 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -77.6 | -33.9 | 177.2 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | V98 | V98-V100 HydrophobicContact CG1-CB 4.29Å; V98-V100 HydrophobicContact CG1-CG2 3.98Å |
| 101 | D | 91 | Very high | 87.1 | Confident | 97 Ų | 97 | 87 Ų | 87 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -88.9 | 175.4 | -179.9 | -67.8 | -35.8 | 0 | 0 | 0 | 112.4 | D103 A160 | D101-D103 PolarHBondContact O-N 3.11Å; D101-A160 WeakPolarHBondContact OD2-CB 3.31Å |
| 102 | T | 92.5 | Very high | 88 | Confident | 95 Ų | 95 | 81.6 Ų | 81.6 | 58% | 0.583 | 47% | 0.467 | S | S | * | . | trans | -58.6 | 136.8 | 175.5 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 103 | D | 92.1 | Very high | 88.7 | Confident | 110 Ų | 110 | 77.8 Ų | 77.8 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | trans | -47.6 | 143.1 | 175.8 | -73.8 | -26.7 | 0 | 0 | 0 | 113.3 | D101 K105 C106 D107 | D101-D103 PolarHBondContact O-N 3.11Å; D103-K105 PolarHBondContact O-N 2.86Å; D103-C106 PolarHBondContact O-N 2.6Å; D103-D107 PolarHBondContact O-N 3.18Å | ||
| 104 | V | 90.6 | Very high | 89.3 | Confident | 89 Ų | 89 | 78.9 Ų | 78.9 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29.8 | -177.3 | -177.8 | 0 | 0 | 0 | 0 | 113.4 | A110 R159 | V104-A110 VanDerWaalsContact O-CB 3.22Å; V104-A110 WeakPolarHBondContact O-CB 3.44Å; V104-R159 PolarHBondContact O-NH2 3.17Å |
| 105 | K | 91 | Very high | 89.5 | Confident | 168 Ų | 168 | 74 Ų | 74 | 73% | 0.73 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -23.6 | -178.9 | -64.3 | 179.9 | -177.9 | 173.6 | 0 | 114 | D103 A110 K114 | D103-K105 PolarHBondContact O-N 2.86Å; K105-A110 WeakPolarHBondContact O-CB 3.17Å; K105-K114 PolarHBondContact O-NZ 2.97Å |
| 106 | C | 90.6 | Very high | 89.4 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 55% | 0.547 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -13 | -170.9 | -63.4 | 0 | 0 | 0 | 0 | 112.7 | D103 I111 | D103-C106 PolarHBondContact O-N 2.6Å; C106-I111 WeakPolarHBondContact O-CD1 3.5Å |
| 107 | D | 92.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 76 Ų | 76 | 4% | 0.037 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -54.9 | 152 | 173.4 | 174.4 | 23.6 | 0 | 0 | 0 | 112.7 | D103 Q109 A110 I111 R159 | D103-D107 PolarHBondContact O-N 3.18Å; D107-Q109 PolarHBondContact O-N 3.4Å; D107-Q109 VanDerWaalsContact O-N 3.16Å; D107-A110 WeakPolarHBondContact O-CB 3.26Å; D107-A110 PolarHBondContact O-N 3.08Å; D107-I111 WeakPolarHBondContact O-CG1 3.41Å; D107-I111 PolarHBondContact O-N 3.04Å; D107-R159 VanDerWaalsContact OD2-CB 3.3Å; D107-R159 WeakPolarHBondContact OD2-CB 3.46Å; D107-R159 IonicContact OD2-CZ 3.67Å; D107-R159 IonicContact OD2-NE 3.68Å; D107-R159 PolarHBondContact OD2-NE 2.63Å; D107-R159 IonicContact OD2-NH2 2.84Å |
| 108 | A | 91.1 | Very high | 89.6 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -52.8 | -34.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I111 F112 P157 | A108-I111 PolarHBondContact O-N 3.36Å; A108-F112 WeakPolarHBondContact O-CB 3.42Å; A108-F112 PolarHBondContact O-N 3.47Å; A108-P157 HydrophobicContact CB-CB 4.31Å; A108-P157 HydrophobicContact CB-CG 4.35Å |
| 109 | Q | 89 | Confident | 89.3 | Confident | 28 Ų | 28 | 73.3 Ų | 73.3 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 173.3 | -175.3 | 176.9 | -17.5 | 0 | 0 | 112 | D107 I111 F112 E113 S149 | D107-Q109 PolarHBondContact O-N 3.4Å; D107-Q109 VanDerWaalsContact O-N 3.16Å; Q109-I111 VanDerWaalsContact C-N 3.33Å; Q109-I111 PolarHBondContact O-N 3.03Å; Q109-F112 WeakPolarHBondContact O-CB 3.38Å; Q109-F112 PolarHBondContact O-N 3.49Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.43Å; Q109-E113 PolarHBondContact NE2-OE1 3.13Å; Q109-E113 WeakPolarHBondContact O-CG 3.2Å; Q109-E113 PolarHBondContact O-N 2.84Å; Q109-S149 PolarHBondContact NE2-O 2.96Å |
| 110 | A | 90.7 | Very high | 89.1 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 7% | 0.066 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.2 | -35 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V104 K105 D107 F112 K114 | V104-A110 VanDerWaalsContact O-CB 3.22Å; V104-A110 WeakPolarHBondContact O-CB 3.44Å; K105-A110 WeakPolarHBondContact O-CB 3.17Å; D107-A110 WeakPolarHBondContact O-CB 3.26Å; D107-A110 PolarHBondContact O-N 3.08Å; A110-F112 VanDerWaalsContact C-N 3.34Å; A110-K114 WeakPolarHBondContact O-CB 3.34Å; A110-K114 WeakPolarHBondContact O-CD 3.19Å; A110-K114 WeakPolarHBondContact O-CG 3.11Å; A110-K114 PolarHBondContact O-N 2.69Å |
| 111 | I | 90.7 | Very high | 88.8 | Confident | 69 Ų | 69 | 74 Ų | 74 | 35% | 0.354 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 172.9 | -64.1 | 170.6 | 0 | 0 | 0 | 110.6 | C106 D107 A108 Q109 K114 A115 N132 | C106-I111 WeakPolarHBondContact O-CD1 3.5Å; D107-I111 WeakPolarHBondContact O-CG1 3.41Å; D107-I111 PolarHBondContact O-N 3.04Å; A108-I111 PolarHBondContact O-N 3.36Å; Q109-I111 VanDerWaalsContact C-N 3.33Å; Q109-I111 PolarHBondContact O-N 3.03Å; I111-K114 PolarHBondContact O-N 3.46Å; I111-A115 WeakPolarHBondContact O-CB 3.49Å; I111-A115 PolarHBondContact O-N 3.33Å; I111-N132 WeakPolarHBondContact CG2-ND2 3.44Å |
| 112 | F | 88.5 | Confident | 87.8 | Confident | 36 Ų | 36 | 71.8 Ų | 71.8 | 16% | 0.158 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.3 | 179.9 | -98.8 | 0 | 0 | 0 | 112.2 | A108 Q109 A110 K114 A115 Q116 K140 A148 R154 | A108-F112 WeakPolarHBondContact O-CB 3.42Å; A108-F112 PolarHBondContact O-N 3.47Å; Q109-F112 WeakPolarHBondContact O-CB 3.38Å; Q109-F112 PolarHBondContact O-N 3.49Å; A110-F112 VanDerWaalsContact C-N 3.34Å; F112-K114 VanDerWaalsContact C-N 3.31Å; F112-K114 PolarHBondContact O-N 3.03Å; F112-A115 WeakPolarHBondContact O-CB 3.4Å; F112-A115 PolarHBondContact O-N 2.78Å; F112-A115 VanDerWaalsContact O-N 3.16Å; F112-Q116 PolarHBondContact O-N 3.15Å; F112-K140 HydrophobicContact CE2-CD 3.95Å; F112-K140 HydrophobicContact CZ-CB 4.37Å; F112-K140 HydrophobicContact CZ-CD 4.05Å; F112-A148 HydrophobicContact CE1-CB 4.26Å; F112-A148 VanDerWaalsContact CE1-O 3.29Å; F112-A148 WeakPolarHBondContact CE1-O 3.05Å; F112-R154 HydrophobicContact CD1-CG 4.39Å; F112-R154 HydrophobicContact CG-CG 4.38Å |
| 113 | E | 88 | Confident | 86.6 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 175.2 | -73.4 | 169.5 | -167.5 | 0 | 0 | 111.7 | Q109 Q116 K117 S149 | Q109-E113 WeakPolarHBondContact CG-OE1 3.43Å; Q109-E113 PolarHBondContact NE2-OE1 3.13Å; Q109-E113 WeakPolarHBondContact O-CG 3.2Å; Q109-E113 PolarHBondContact O-N 2.84Å; E113-Q116 PolarHBondContact O-N 3.12Å; E113-K117 WeakPolarHBondContact O-CG 3.45Å; E113-K117 PolarHBondContact O-N 3.34Å; E113-K117 VanDerWaalsContact O-N 3.08Å; E113-S149 VanDerWaalsContact CG-OG 3.27Å; E113-S149 WeakPolarHBondContact CG-OG 3.38Å |
| 114 | K | 89.6 | Confident | 85.5 | Confident | 108 Ų | 108 | 76 Ų | 76 | 47% | 0.47 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 173.5 | -74.9 | 166.7 | -179.5 | 170.2 | 0 | 111.3 | K105 A110 I111 F112 Q116 K117 I118 | K105-K114 PolarHBondContact O-NZ 2.97Å; A110-K114 WeakPolarHBondContact O-CB 3.34Å; A110-K114 WeakPolarHBondContact O-CD 3.19Å; A110-K114 WeakPolarHBondContact O-CG 3.11Å; A110-K114 PolarHBondContact O-N 2.69Å; I111-K114 PolarHBondContact O-N 3.46Å; F112-K114 VanDerWaalsContact C-N 3.31Å; F112-K114 PolarHBondContact O-N 3.03Å; K114-Q116 PolarHBondContact O-N 2.64Å; K114-K117 PolarHBondContact O-N 3.12Å; K114-I118 WeakPolarHBondContact O-CB 3.19Å; K114-I118 WeakPolarHBondContact O-CD1 3.48Å; K114-I118 WeakPolarHBondContact O-CG1 3.41Å; K114-I118 PolarHBondContact O-N 2.97Å |
| 115 | A | 88 | Confident | 84.6 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I111 F112 I118 N119 N133 | I111-A115 WeakPolarHBondContact O-CB 3.49Å; I111-A115 PolarHBondContact O-N 3.33Å; F112-A115 WeakPolarHBondContact O-CB 3.4Å; F112-A115 PolarHBondContact O-N 2.78Å; F112-A115 VanDerWaalsContact O-N 3.16Å; A115-I118 PolarHBondContact O-N 3.27Å; A115-N119 WeakPolarHBondContact O-CB 3.4Å; A115-N119 VanDerWaalsContact O-CG 3.27Å; A115-N119 PolarHBondContact O-N 3.34Å; A115-N119 PolarHBondContact O-ND2 2.99Å; A115-N133 WeakPolarHBondContact CA-OD1 3.49Å; A115-N133 WeakPolarHBondContact CB-OD1 3.21Å |
| 116 | Q | 85 | Confident | 84 | Confident | 56 Ų | 56 | 81.7 Ų | 81.7 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 176.6 | -168.5 | -179 | 23.7 | 0 | 0 | 111.6 | F112 E113 K114 N119 Q120 | F112-Q116 PolarHBondContact O-N 3.15Å; E113-Q116 PolarHBondContact O-N 3.12Å; K114-Q116 PolarHBondContact O-N 2.64Å; Q116-N119 PolarHBondContact O-N 2.74Å; Q116-Q120 WeakPolarHBondContact O-CG 3.5Å; Q116-Q120 PolarHBondContact O-N 2.91Å |
| 117 | K | 87.9 | Confident | 83.7 | Confident | 127 Ų | 127 | 83.1 Ų | 83.1 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 175.7 | -71.7 | 175.2 | -178.7 | -178.5 | 0 | 111.8 | E113 K114 N119 Q120 E121 | E113-K117 WeakPolarHBondContact O-CG 3.45Å; E113-K117 PolarHBondContact O-N 3.34Å; E113-K117 VanDerWaalsContact O-N 3.08Å; K114-K117 PolarHBondContact O-N 3.12Å; K117-N119 VanDerWaalsContact C-N 3.32Å; K117-N119 PolarHBondContact O-N 3.33Å; K117-Q120 PolarHBondContact O-N 3.14Å; K117-E121 WeakPolarHBondContact O-CG 3.27Å; K117-E121 PolarHBondContact O-N 2.97Å; K117-E121 VanDerWaalsContact O-N 3.07Å |
| 118 | I | 87.6 | Confident | 83.5 | Confident | 51 Ų | 51 | 89.8 Ų | 89.8 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 179.7 | -70.6 | 167.2 | 0 | 0 | 0 | 111.7 | K114 A115 S122 K129 N133 | K114-I118 WeakPolarHBondContact O-CB 3.19Å; K114-I118 WeakPolarHBondContact O-CD1 3.48Å; K114-I118 WeakPolarHBondContact O-CG1 3.41Å; K114-I118 PolarHBondContact O-N 2.97Å; A115-I118 PolarHBondContact O-N 3.27Å; I118-S122 VanDerWaalsContact O-CB 3.26Å; I118-S122 WeakPolarHBondContact O-CB 3.48Å; I118-S122 PolarHBondContact O-N 2.95Å; I118-K129 HydrophobicContact CG2-CB 4.17Å; I118-K129 HydrophobicContact CG2-CD 3.66Å; I118-K129 HydrophobicContact CG2-CG 4.44Å; I118-N133 VanDerWaalsContact CD1-ND2 3.31Å; I118-N133 WeakPolarHBondContact CD1-ND2 3.29Å; I118-N133 HydrophobicContact CG2-CB 4.17Å |
| 119 | N | 82.9 | Confident | 83.1 | Confident | 37 Ų | 37 | 91.7 Ų | 91.7 | 20% | 0.198 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 177.7 | -74.8 | -20.6 | 0 | 0 | 0 | 111.9 | A115 Q116 K117 S122 | A115-N119 WeakPolarHBondContact O-CB 3.4Å; A115-N119 VanDerWaalsContact O-CG 3.27Å; A115-N119 PolarHBondContact O-N 3.34Å; A115-N119 PolarHBondContact O-ND2 2.99Å; Q116-N119 PolarHBondContact O-N 2.74Å; K117-N119 VanDerWaalsContact C-N 3.32Å; K117-N119 PolarHBondContact O-N 3.33Å; N119-S122 PolarHBondContact O-N 3.38Å; N119-S122 PolarHBondContact O-OG 3.35Å |
| 120 | Q | 82.1 | Confident | 83 | Confident | 135 Ų | 135 | 91.5 Ų | 91.5 | 63% | 0.631 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.8 | -39.6 | 175.7 | -72.6 | 173.1 | -3 | 0 | 0 | 112.7 | Q116 K117 S122 | Q116-Q120 WeakPolarHBondContact O-CG 3.5Å; Q116-Q120 PolarHBondContact O-N 2.91Å; K117-Q120 PolarHBondContact O-N 3.14Å; Q120-S122 VanDerWaalsContact C-N 3.32Å; Q120-S122 PolarHBondContact O-N 3.33Å |
| 121 | E | 83.9 | Confident | 82.9 | Confident | 153 Ų | 153 | 97 Ų | 97 | 72% | 0.715 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -79.8 | -12.3 | -179.3 | -68.1 | 171.6 | -175.5 | 0 | 0 | 113.3 | K117 Q123 | K117-E121 WeakPolarHBondContact O-CG 3.27Å; K117-E121 PolarHBondContact O-N 2.97Å; K117-E121 VanDerWaalsContact O-N 3.07Å; E121-Q123 PolarHBondContact O-N 2.82Å |
| 122 | S | 70 | Confident | 82.6 | Confident | 51 Ų | 51 | 97.8 Ų | 97.8 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | trans | -78 | 96.9 | -167.8 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | I118 N119 Q120 | I118-S122 VanDerWaalsContact O-CB 3.26Å; I118-S122 WeakPolarHBondContact O-CB 3.48Å; I118-S122 PolarHBondContact O-N 2.95Å; N119-S122 PolarHBondContact O-N 3.38Å; N119-S122 PolarHBondContact O-OG 3.35Å; Q120-S122 VanDerWaalsContact C-N 3.32Å; Q120-S122 PolarHBondContact O-N 3.33Å | ||
| 123 | Q | 67.5 | Low | 82.4 | Confident | 182 Ų | 182 | 97.3 Ų | 97.3 | 85% | 0.85 | 47% | 0.47 | S | S | * | . | trans | -85.9 | -32 | 165.1 | -62.5 | -158.3 | -7 | 0 | 0 | 113 | E121 | E121-Q123 PolarHBondContact O-N 2.82Š| ||
| 124 | N | 69.6 | Low | 82.1 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 59% | 0.594 | 48% | 0.483 | S | S | * | . | trans | -95.5 | 114.9 | -176.2 | -69.9 | -17.3 | 0 | 0 | 0 | 112.3 | ||||
| 125 | R | 70.7 | Confident | 81.3 | Confident | 211 Ų | 211 | 99.4 Ų | 99.4 | 80% | 0.796 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -83.2 | -17.8 | -177.8 | -62.1 | -176.6 | -176.1 | 172.6 | 1.9 | 114.9 | ||
| 126 | N | 78 | Confident | 80.6 | Confident | 166 Ų | 166 | 103.4 Ų | 103.4 | 89% | 0.888 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -92.8 | 0.9 | -168.6 | -64.7 | -5 | 0 | 0 | 0 | 114.5 | ||
| 127 | I | 85.2 | Confident | 80.1 | Confident | 111 Ų | 111 | 110 Ų | 110 | 57% | 0.569 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -105 | 126.2 | 178.1 | -59.2 | 171.5 | 0 | 0 | 0 | 108 | K129 | I127-K129 PolarHBondContact O-N 2.95Š|
| 128 | Y | 87 | Confident | 79.7 | Confident | 148 Ų | 148 | 110.6 Ų | 110.6 | 58% | 0.58 | 54% | 0.536 | S | S | * | . | trans | -67.1 | 125 | 174 | 177.3 | -112.1 | 0 | 0 | 0 | 110.5 | G130 L131 Y134 | Y128-G130 VanDerWaalsContact CZ-C 3.42Å; Y128-G130 VanDerWaalsContact CZ-CA 3.41Å; Y128-G130 VanDerWaalsContact OH-C 3.28Å; Y128-L131 WeakPolarHBondContact OH-CA 3.22Å; Y128-L131 PolarHBondContact OH-N 3.48Å; Y128-Y134 HydrophobicContact CD2-CE1 4.24Å; Y128-Y134 HydrophobicContact CE2-CE1 4.12Å; Y128-Y134 AromaticContact CE2-CZ 3.8Å; Y128-Y134 WeakPolarHBondContact CE2-OH 3.3Å | ||
| 129 | K | 82.8 | Confident | 79 | Confident | 72 Ų | 72 | 114.5 Ų | 114.5 | 31% | 0.313 | 55% | 0.553 | S | S | . | * | trans | -110.7 | 13.9 | -175.4 | -68.3 | 179.3 | 176.8 | -170.1 | 0 | 113.6 | I118 I127 N133 | I118-K129 HydrophobicContact CG2-CB 4.17Å; I118-K129 HydrophobicContact CG2-CD 3.66Å; I118-K129 HydrophobicContact CG2-CG 4.44Å; I127-K129 PolarHBondContact O-N 2.95Å; K129-N133 HydrophobicContact CB-CB 3.72Å; K129-N133 PolarHBondContact O-ND2 2.93Å | ||
| 130 | G | 87.2 | Confident | 78.6 | Confident | 23 Ų | 23 | 118.6 Ų | 118.6 | 24% | 0.237 | 57% | 0.569 | C | S | . | * | trans | 102.1 | 164.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y128 N132 N133 | Y128-G130 VanDerWaalsContact CZ-C 3.42Å; Y128-G130 VanDerWaalsContact CZ-CA 3.41Å; Y128-G130 VanDerWaalsContact OH-C 3.28Å; G130-N132 PolarHBondContact O-N 3.34Å; G130-N133 PolarHBondContact O-N 3.27Å; G130-N133 VanDerWaalsContact O-N 3.15Å | ||
| 131 | L | 87.9 | Confident | 78 | Confident | 125 Ų | 125 | 119.4 Ų | 119.4 | 65% | 0.654 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -33.3 | -169.5 | -170.7 | 68.6 | 0 | 0 | 0 | 113.3 | Y128 Y134 | Y128-L131 WeakPolarHBondContact OH-CA 3.22Å; Y128-L131 PolarHBondContact OH-N 3.48Å; L131-Y134 HydrophobicContact CD1-CE2 4.28Å; L131-Y134 WeakPolarHBondContact O-CD2 3.26Å; L131-Y134 VanDerWaalsContact O-CE2 3.32Å; L131-Y134 WeakPolarHBondContact O-CE2 3.46Å |
| 132 | N | 84.2 | Confident | 77.6 | Confident | 84 Ų | 84 | 116.8 Ų | 116.8 | 45% | 0.449 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -8.1 | -175.2 | -63.2 | -9.9 | 0 | 0 | 0 | 113.6 | I111 G130 | I111-N132 WeakPolarHBondContact CG2-ND2 3.44Å; G130-N132 PolarHBondContact O-N 3.34Å |
| 133 | N | 85 | Confident | 77.8 | Confident | 27 Ų | 27 | 117.9 Ų | 117.9 | 14% | 0.144 | 57% | 0.566 | C | S | . | * | trans | -111.7 | 25.1 | -166.3 | -61.3 | -24.3 | 0 | 0 | 0 | 112.8 | A115 I118 K129 G130 | A115-N133 WeakPolarHBondContact CA-OD1 3.49Å; A115-N133 WeakPolarHBondContact CB-OD1 3.21Å; I118-N133 VanDerWaalsContact CD1-ND2 3.31Å; I118-N133 WeakPolarHBondContact CD1-ND2 3.29Å; I118-N133 HydrophobicContact CG2-CB 4.17Å; K129-N133 HydrophobicContact CB-CB 3.72Å; K129-N133 PolarHBondContact O-ND2 2.93Å; G130-N133 PolarHBondContact O-N 3.27Å; G130-N133 VanDerWaalsContact O-N 3.15Å | ||
| 134 | Y | 82.6 | Confident | 78.1 | Confident | 142 Ų | 142 | 116.9 Ų | 116.9 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -64.6 | 153.7 | 164.1 | -65.1 | -70.2 | 0 | 0 | 0 | 110.2 | Y128 L131 Q136 | Y128-Y134 HydrophobicContact CD2-CE1 4.24Å; Y128-Y134 HydrophobicContact CE2-CE1 4.12Å; Y128-Y134 AromaticContact CE2-CZ 3.8Å; Y128-Y134 WeakPolarHBondContact CE2-OH 3.3Å; L131-Y134 HydrophobicContact CD1-CE2 4.28Å; L131-Y134 WeakPolarHBondContact O-CD2 3.26Å; L131-Y134 VanDerWaalsContact O-CE2 3.32Å; L131-Y134 WeakPolarHBondContact O-CE2 3.46Å; Y134-Q136 PolarHBondContact O-N 3.35Å |
| 135 | A | 73.2 | Confident | 78 | Confident | 66 Ų | 66 | 117.9 Ų | 117.9 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | trans | -57.3 | 108.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y137 | A135-Y137 HydrophobicContact CB-CE2 4.37Š| ||
| 136 | Q | 73.2 | Confident | 77.9 | Confident | 93 Ų | 93 | 108.8 Ų | 108.8 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | trans | -94.3 | 109.9 | 171.4 | -68.1 | -179.6 | 7.7 | 0 | 0 | 108.1 | Y134 I138 | Y134-Q136 PolarHBondContact O-N 3.35Å; Q136-I138 VanDerWaalsContact C-N 3.25Å; Q136-I138 PolarHBondContact O-N 2.92Å | ||
| 137 | Y | 74.7 | Confident | 77.8 | Confident | 194 Ų | 194 | 105.9 Ų | 105.9 | 76% | 0.761 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -76.5 | -16.3 | 178.5 | -59.5 | -80.5 | 0 | 0 | 0 | 113.1 | A135 | A135-Y137 HydrophobicContact CB-CE2 4.37Š|
| 138 | I | 79 | Confident | 77.2 | Confident | 141 Ų | 141 | 100.8 Ų | 100.8 | 72% | 0.723 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -106.7 | 101.5 | 178.2 | -56.3 | 173.3 | 0 | 0 | 0 | 107.2 | Q136 K140 | Q136-I138 VanDerWaalsContact C-N 3.25Å; Q136-I138 PolarHBondContact O-N 2.92Å; I138-K140 PolarHBondContact O-N 2.96Å |
| 139 | E | 73 | Confident | 76.6 | Confident | 132 Ų | 132 | 94.4 Ų | 94.4 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | trans | -64.7 | 123.6 | 170.7 | -67.1 | -177.9 | 165.4 | 0 | 0 | 109.3 | K141 | E139-K141 HydrophobicContact CB-CG 4.24Å; E139-K141 PolarHBondContact O-N 3.36Å | ||
| 140 | K | 74.1 | Confident | 76.1 | Confident | 124 Ų | 124 | 92.6 Ų | 92.6 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | trans | -74.3 | 98.1 | 167.7 | -65.3 | 175 | -174.7 | 171.6 | 0 | 106.8 | F112 I138 A148 | F112-K140 HydrophobicContact CE2-CD 3.95Å; F112-K140 HydrophobicContact CZ-CB 4.37Å; F112-K140 HydrophobicContact CZ-CD 4.05Å; I138-K140 PolarHBondContact O-N 2.96Å; K140-A148 WeakPolarHBondContact O-CB 3.15Å | ||
| 141 | K | 69.5 | Low | 75.2 | Confident | 152 Ų | 152 | 93.5 Ų | 93.5 | 66% | 0.661 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 157.1 | -179.3 | -67.7 | -175.9 | 179.7 | -177.5 | 0 | 111.4 | E139 T143 | E139-K141 HydrophobicContact CB-CG 4.24Å; E139-K141 PolarHBondContact O-N 3.36Å; K141-T143 PolarHBondContact O-N 3.31Å |
| 142 | D | 75.4 | Confident | 74.2 | Confident | 98 Ų | 98 | 95.7 Ų | 95.7 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 127.4 | 168.9 | -59.4 | -17.5 | 0 | 0 | 0 | 108.5 | G146 N147 A148 | D142-G146 WeakPolarHBondContact CA-O 3.48Å; D142-N147 VanDerWaalsContact OD1-CA 3.26Å; D142-N147 WeakPolarHBondContact OD1-CA 3.07Å; D142-A148 WeakPolarHBondContact OD1-CB 3.29Å; D142-A148 PolarHBondContact OD1-N 3.4Å |
| 143 | T | 74.2 | Confident | 73.7 | Confident | 73 Ų | 73 | 93.7 Ų | 93.7 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | B | Isolated β-bridge | trans | -94.6 | 169.8 | 172.4 | 71.1 | 0 | 0 | 0 | 0 | 108.5 | K141 M145 G146 N153 | K141-T143 PolarHBondContact O-N 3.31Å; T143-M145 PolarHBondContact O-N 3.11Å; T143-M145 PolarHBondContact OG1-N 3.31Å; T143-G146 PolarHBondContact N-O 3.17Å; T143-G146 VanDerWaalsContact N-O 3.14Å; T143-G146 PolarHBondContact O-N 2.92Å; T143-G146 VanDerWaalsContact O-O 3.08Å; T143-N153 PolarHBondContact N-ND2 2.91Å; T143-N153 VanDerWaalsContact OG1-CG 3.27Å; T143-N153 PolarHBondContact OG1-ND2 3.03Å; T143-N153 PolarHBondContact OG1-OD1 3.33Å |
| 144 | V | 73.7 | Confident | 73.3 | Confident | 161 Ų | 161 | 93.2 Ų | 93.2 | 98% | 0.976 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.6 | 173.5 | -175 | 0 | 0 | 0 | 0 | 112.1 | ||
| 145 | M | 66.9 | Low | 73.2 | Confident | 133 Ų | 133 | 96 Ų | 96 | 66% | 0.655 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.3 | 179 | -61.7 | -178.7 | 65.1 | 0 | 0 | 114.3 | T143 F152 | T143-M145 PolarHBondContact O-N 3.11Å; T143-M145 PolarHBondContact OG1-N 3.31Å; M145-F152 HydrophobicContact CE-CD1 4.44Å |
| 146 | G | 70.4 | Confident | 73.8 | Confident | 20 Ų | 20 | 95.1 Ų | 95.1 | 21% | 0.206 | 49% | 0.491 | C | S | . | . | B | Isolated β-bridge | trans | 147.1 | -172.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D142 T143 N153 | D142-G146 WeakPolarHBondContact CA-O 3.48Å; T143-G146 PolarHBondContact N-O 3.17Å; T143-G146 VanDerWaalsContact N-O 3.14Å; T143-G146 PolarHBondContact O-N 2.92Å; T143-G146 VanDerWaalsContact O-O 3.08Å; G146-N153 PolarHBondContact O-ND2 3.48Å |
| 147 | N | 75.6 | Confident | 74.7 | Confident | 104 Ų | 104 | 95.2 Ų | 95.2 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | trans | -70.8 | 152.5 | -177.9 | -60.5 | 12.8 | 0 | 0 | 0 | 110.8 | D142 S149 S150 | D142-N147 VanDerWaalsContact OD1-CA 3.26Å; D142-N147 WeakPolarHBondContact OD1-CA 3.07Å; N147-S149 PolarHBondContact O-N 3.37Å; N147-S149 VanDerWaalsContact O-N 3.08Å; N147-S150 PolarHBondContact N-OG 3.44Å; N147-S150 VanDerWaalsContact O-CB 3.29Å; N147-S150 WeakPolarHBondContact O-CB 3.21Å; N147-S150 PolarHBondContact O-N 3.13Å; N147-S150 PolarHBondContact O-OG 3.41Å | ||
| 148 | A | 72.4 | Confident | 75.2 | Confident | 5 Ų | 5 | 89.9 Ų | 89.9 | 4% | 0.041 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | F112 K140 D142 | F112-A148 HydrophobicContact CE1-CB 4.26Å; F112-A148 VanDerWaalsContact CE1-O 3.29Å; F112-A148 WeakPolarHBondContact CE1-O 3.05Å; K140-A148 WeakPolarHBondContact O-CB 3.15Å; D142-A148 WeakPolarHBondContact OD1-CB 3.29Å; D142-A148 PolarHBondContact OD1-N 3.4Å |
| 149 | S | 74.3 | Confident | 75.7 | Confident | 14 Ų | 14 | 87.1 Ų | 87.1 | 10% | 0.098 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -13.4 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 114 | Q109 E113 N147 | Q109-S149 PolarHBondContact NE2-O 2.96Å; E113-S149 VanDerWaalsContact CG-OG 3.27Å; E113-S149 WeakPolarHBondContact CG-OG 3.38Å; N147-S149 PolarHBondContact O-N 3.37Å; N147-S149 VanDerWaalsContact O-N 3.08Å |
| 150 | S | 72.1 | Confident | 76.5 | Confident | 34 Ų | 34 | 82.9 Ų | 82.9 | 24% | 0.238 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -72.2 | 152.9 | 179.5 | 74.8 | 0 | 0 | 0 | 0 | 111.2 | N147 F152 N153 R154 | N147-S150 PolarHBondContact N-OG 3.44Å; N147-S150 VanDerWaalsContact O-CB 3.29Å; N147-S150 WeakPolarHBondContact O-CB 3.21Å; N147-S150 PolarHBondContact O-N 3.13Å; N147-S150 PolarHBondContact O-OG 3.41Å; S150-F152 PolarHBondContact O-N 3.5Å; S150-F152 VanDerWaalsContact O-N 3.12Å; S150-N153 PolarHBondContact O-N 3.09Å; S150-N153 VanDerWaalsContact O-N 3.15Å; S150-R154 WeakPolarHBondContact O-CB 3.4Å; S150-R154 PolarHBondContact O-N 3.33Å |
| 151 | G | 67.6 | Low | 77.3 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 43% | 0.433 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | M158 | G151-M158 WeakPolarHBondContact CA-SD 3.35Š|
| 152 | F | 67.8 | Low | 78.2 | Confident | 170 Ų | 170 | 75.4 Ų | 75.4 | 75% | 0.746 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -26.9 | 175.7 | -79.1 | -82.7 | 0 | 0 | 0 | 113.5 | M145 S150 | M145-F152 HydrophobicContact CE-CD1 4.44Å; S150-F152 PolarHBondContact O-N 3.5Å; S150-F152 VanDerWaalsContact O-N 3.12Å |
| 153 | N | 73.3 | Confident | 78.9 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 23% | 0.225 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -29.9 | -177.5 | -74.4 | -4.9 | 0 | 0 | 0 | 113.3 | T143 G146 S150 | T143-N153 PolarHBondContact N-ND2 2.91Å; T143-N153 VanDerWaalsContact OG1-CG 3.27Å; T143-N153 PolarHBondContact OG1-ND2 3.03Å; T143-N153 PolarHBondContact OG1-OD1 3.33Å; G146-N153 PolarHBondContact O-ND2 3.48Å; S150-N153 PolarHBondContact O-N 3.09Å; S150-N153 VanDerWaalsContact O-N 3.15Å |
| 154 | R | 77.2 | Confident | 79.6 | Confident | 18 Ų | 18 | 79 Ų | 79 | 7% | 0.068 | 45% | 0.45 | C | S | . | . | trans | -78 | 131.8 | -177.5 | -172.4 | 179.2 | 62.9 | 84.5 | -4.1 | 110.3 | F112 S150 P157 M158 | F112-R154 HydrophobicContact CD1-CG 4.39Å; F112-R154 HydrophobicContact CG-CG 4.38Å; S150-R154 WeakPolarHBondContact O-CB 3.4Å; S150-R154 PolarHBondContact O-N 3.33Å; R154-P157 PolarHBondContact NH1-O 3.36Å; R154-P157 PolarHBondContact NH2-O 3.49Å; R154-M158 HydrophobicContact CB-CE 4.09Å; R154-M158 HydrophobicContact CG-CE 4.38Å; R154-M158 WeakPolarHBondContact O-CE 3.45Å | ||
| 155 | K | 79.8 | Confident | 80.3 | Confident | 200 Ų | 200 | 81.8 Ų | 81.8 | 87% | 0.87 | 44% | 0.443 | S | S | * | . | trans | -86.8 | 135.1 | 168.8 | -59.7 | -176.3 | 179.2 | -175.5 | 0 | 109.8 | ||||
| 156 | G | 86.1 | Confident | 81.4 | Confident | 48 Ų | 48 | 78.8 Ų | 78.8 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 127.2 | -173.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M158 | G156-M158 WeakPolarHBondContact O-CE 3.37Å; G156-M158 PolarHBondContact O-N 3.44Å |
| 157 | P | 90.8 | Very high | 82.6 | Confident | 94 Ų | 94 | 84.7 Ų | 84.7 | 61% | 0.61 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -55.5 | 129.1 | 178.4 | -24.2 | 33.6 | 0 | 0 | 0 | 110.6 | A108 R154 | A108-P157 HydrophobicContact CB-CB 4.31Å; A108-P157 HydrophobicContact CB-CG 4.35Å; R154-P157 PolarHBondContact NH1-O 3.36Å; R154-P157 PolarHBondContact NH2-O 3.49Å |
| 158 | M | 87.2 | Confident | 83.5 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 41% | 0.409 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 144.9 | -176.6 | -73.7 | -64.8 | 120.5 | 0 | 0 | 111.6 | G151 R154 G156 A160 | G151-M158 WeakPolarHBondContact CA-SD 3.35Å; R154-M158 HydrophobicContact CB-CE 4.09Å; R154-M158 HydrophobicContact CG-CE 4.38Å; R154-M158 WeakPolarHBondContact O-CE 3.45Å; G156-M158 WeakPolarHBondContact O-CE 3.37Å; G156-M158 PolarHBondContact O-N 3.44Å; M158-A160 PolarHBondContact O-N 3.37Å |
| 159 | R | 88.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 93.5 Ų | 93.5 | 31% | 0.309 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -72 | 121.6 | 174.9 | -169.6 | 177.7 | -65.8 | 153.5 | -8 | 109.7 | V104 D107 | V104-R159 PolarHBondContact O-NH2 3.17Å; D107-R159 VanDerWaalsContact OD2-CB 3.3Å; D107-R159 WeakPolarHBondContact OD2-CB 3.46Å; D107-R159 IonicContact OD2-CZ 3.67Å; D107-R159 IonicContact OD2-NE 3.68Å; D107-R159 PolarHBondContact OD2-NE 2.63Å; D107-R159 IonicContact OD2-NH2 2.84Å |
| 160 | A | 89.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 101.8 Ų | 101.8 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 150.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D101 M158 A162 | D101-A160 WeakPolarHBondContact OD2-CB 3.31Å; M158-A160 PolarHBondContact O-N 3.37Å; A160-A162 PolarHBondContact O-N 3.24Å |
| 161 | P | 90.2 | Very high | 86.6 | Confident | 78 Ų | 78 | 105 Ų | 105 | 51% | 0.506 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 121.4 | 173.3 | 27.4 | -33.7 | 0 | 0 | 0 | 110.9 | N163 L164 | P161-N163 VanDerWaalsContact C-N 3.3Å; P161-N163 PolarHBondContact O-N 3.45Å; P161-L164 HydrophobicContact CB-CB 4.2Å; P161-L164 HydrophobicContact CG-CB 4.09Å |
| 162 | A | 89.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 108.1 Ų | 108.1 | 34% | 0.339 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -23 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T97 V98 A160 | T97-A162 WeakPolarHBondContact CA-O 3.27Å; V98-A162 PolarHBondContact N-O 2.88Å; A160-A162 PolarHBondContact O-N 3.24Å |
| 163 | N | 89.3 | Confident | 88.8 | Confident | 144 Ų | 144 | 106.9 Ų | 106.9 | 77% | 0.77 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 15.3 | -171.1 | 63.4 | -64.7 | 0 | 0 | 0 | 113.4 | P161 | P161-N163 VanDerWaalsContact C-N 3.3Å; P161-N163 PolarHBondContact O-N 3.45Å |
| 164 | L | 88.3 | Confident | 89.7 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | trans | -126.6 | 124.2 | -179 | -171.5 | 150.2 | 0 | 0 | 0 | 109.9 | P161 | P161-L164 HydrophobicContact CB-CB 4.2Å; P161-L164 HydrophobicContact CG-CB 4.09Å | ||
| 165 | R | 89.2 | Confident | 90.5 | Very high | 219 Ų | 219 | 112 Ų | 112 | 83% | 0.826 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 123.2 | 167.2 | 176.2 | 177.6 | 170.9 | 157.3 | -0.9 | 109 | T167 | R165-T167 PolarHBondContact O-N 3.19Š|
| 166 | A | 91 | Very high | 91.1 | Very high | 69 Ų | 69 | 104.5 Ų | 104.5 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 134.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V168 | A166-V168 PolarHBondContact O-N 3.34Š|
| 167 | T | 94.3 | Very high | 91.5 | Very high | 144 Ų | 144 | 102.4 Ų | 102.4 | 88% | 0.883 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -74 | 120.2 | 172.1 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | R165 | R165-T167 PolarHBondContact O-N 3.19Š|
| 168 | V | 94.2 | Very high | 91.6 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 70% | 0.697 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -97.8 | 128 | 179.6 | -179 | 0 | 0 | 0 | 0 | 108.7 | A166 | A166-V168 PolarHBondContact O-N 3.34Š|
| 169 | R | 94.8 | Very high | 92 | Very high | 180 Ų | 180 | 103.1 Ų | 103.1 | 68% | 0.679 | 52% | 0.521 | S | S | * | . | trans | -118.9 | 129.2 | 170.3 | -176.6 | -175.6 | 70.1 | 81.3 | -2.2 | 107.8 | D171 | R169-D171 IonicContact CZ-OD2 3.1Å; R169-D171 IonicContact NH1-OD1 3.54Å; R169-D171 IonicContact NH1-OD2 2.87Å; R169-D171 IonicContact NH2-OD2 3.92Å; R169-D171 PolarHBondContact NH2-OD2 3.4Å | ||
| 170 | W | 94.1 | Very high | 92.3 | Very high | 187 Ų | 187 | 102.5 Ų | 102.5 | 71% | 0.708 | 52% | 0.519 | S | S | * | . | trans | -75.6 | 126 | 170.8 | -61.6 | 102.1 | 0 | 0 | 0 | 109.2 | Y172 | W170-Y172 HydrophobicContact CB-CD2 4.43Å; W170-Y172 HydrophobicContact CB-CE1 4.38Å; W170-Y172 HydrophobicContact CB-CE2 3.92Å | ||
| 171 | D | 94.8 | Very high | 92.5 | Very high | 103 Ų | 103 | 103.5 Ų | 103.5 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | trans | -95.6 | 103.6 | 172 | -150.4 | -26 | 0 | 0 | 0 | 109.3 | R169 Q173 | R169-D171 IonicContact CZ-OD2 3.1Å; R169-D171 IonicContact NH1-OD1 3.54Å; R169-D171 IonicContact NH1-OD2 2.87Å; R169-D171 IonicContact NH2-OD2 3.92Å; R169-D171 PolarHBondContact NH2-OD2 3.4Å; D171-Q173 VanDerWaalsContact C-N 3.34Å; D171-Q173 PolarHBondContact OD1-N 3.48Å | ||
| 172 | Y | 92.3 | Very high | 92.6 | Very high | 106 Ų | 106 | 105.6 Ų | 105.6 | 42% | 0.416 | 52% | 0.519 | S | S | . | . | trans | -85.4 | -8.1 | -178 | -70.6 | -64 | 0 | 0 | 0 | 113.1 | W170 P174 W205 | W170-Y172 HydrophobicContact CB-CD2 4.43Å; W170-Y172 HydrophobicContact CB-CE1 4.38Å; W170-Y172 HydrophobicContact CB-CE2 3.92Å; Y172-P174 WeakPolarHBondContact O-CD 3.39Å; Y172-W205 HydrophobicContact CD1-CB 4.45Å; Y172-W205 HydrophobicContact CE1-CB 4.41Å | ||
| 173 | Q | 91 | Very high | 92.7 | Very high | 145 Ų | 145 | 108.1 Ų | 108.1 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | trans | -85 | 111.1 | -178.8 | -176.9 | 176.5 | -29.6 | 0 | 0 | 110.1 | D171 | D171-Q173 VanDerWaalsContact C-N 3.34Å; D171-Q173 PolarHBondContact OD1-N 3.48Å | ||
| 174 | P | 91.7 | Very high | 92.9 | Very high | 61 Ų | 61 | 102.7 Ų | 102.7 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | trans | -79.8 | 137.9 | 175.7 | 34.2 | -35.8 | 0 | 0 | 0 | 110.7 | Y172 I176 | Y172-P174 WeakPolarHBondContact O-CD 3.39Å; P174-I176 HydrophobicContact CB-CD1 3.81Å; P174-I176 HydrophobicContact CB-CG1 4.02Å; P174-I176 HydrophobicContact CG-CD1 4.4Å; P174-I176 PolarHBondContact O-N 3.15Å | ||
| 175 | D | 93.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 104.8 Ų | 104.8 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | trans | -82 | 54.5 | 172.5 | -71.7 | -37.3 | 0 | 0 | 0 | 111.3 | F194 L195 | D175-F194 HydrophobicContact CB-CD1 4.47Å; D175-L195 VanDerWaalsContact O-CB 3.23Å; D175-L195 WeakPolarHBondContact O-CB 3.47Å; D175-L195 PolarHBondContact O-N 3.27Å | ||
| 176 | I | 93 | Very high | 93.4 | Very high | 42 Ų | 42 | 94.6 Ų | 94.6 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 136 | -179.2 | -62.2 | 166.3 | 0 | 0 | 0 | 110.2 | P174 K178 K181 | P174-I176 HydrophobicContact CB-CD1 3.81Å; P174-I176 HydrophobicContact CB-CG1 4.02Å; P174-I176 HydrophobicContact CG-CD1 4.4Å; P174-I176 PolarHBondContact O-N 3.15Å; I176-K178 PolarHBondContact O-N 3.44Å; I176-K178 VanDerWaalsContact O-N 3.14Å; I176-K181 HydrophobicContact CG2-CB 4.23Å; I176-K181 HydrophobicContact CG2-CD 4.11Å |
| 177 | C | 94.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 95.1 Ų | 95.1 | 3% | 0.027 | 48% | 0.475 | C | S | . | . | trans | -68.9 | 111.7 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | D179 Y180 K181 F194 L195 | C177-D179 PolarHBondContact O-N 3.16Å; C177-Y180 PolarHBondContact O-N 3.15Å; C177-Y180 PolarHBondContact SG-N 2.87Å; C177-K181 WeakPolarHBondContact O-CB 3.29Å; C177-K181 PolarHBondContact O-N 3.38Å; C177-F194 HydrophobicContact CB-CB 3.8Å; C177-L195 PolarHBondContact N-O 3.34Å | ||
| 178 | K | 93.1 | Very high | 93.6 | Very high | 124 Ų | 124 | 94.9 Ų | 94.9 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55 | -51.3 | 177.9 | -176.6 | -174.7 | -179.6 | -60.2 | 0 | 111.9 | I176 Y180 K181 E182 | I176-K178 PolarHBondContact O-N 3.44Å; I176-K178 VanDerWaalsContact O-N 3.14Å; K178-Y180 VanDerWaalsContact C-N 3.34Å; K178-Y180 PolarHBondContact O-N 2.74Å; K178-K181 PolarHBondContact O-N 3.01Å; K178-E182 VanDerWaalsContact CE-OE1 3.24Å; K178-E182 WeakPolarHBondContact CE-OE1 3.23Å; K178-E182 WeakPolarHBondContact CG-OE1 3.4Å; K178-E182 IonicContact NZ-OE1 3.02Å; K178-E182 PolarHBondContact NZ-OE1 3.49Å; K178-E182 IonicContact NZ-OE2 2.77Å; K178-E182 PolarHBondContact NZ-OE2 3.2Å; K178-E182 PolarHBondContact O-N 2.6Å |
| 179 | D | 95 | Very high | 93.5 | Very high | 68 Ų | 68 | 90.8 Ų | 90.8 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62 | -44 | -176.1 | -58.8 | -26.1 | 0 | 0 | 0 | 111 | C177 T183 F185 | C177-D179 PolarHBondContact O-N 3.16Å; D179-T183 WeakPolarHBondContact O-CB 3.36Å; D179-T183 PolarHBondContact O-N 3.09Å; D179-T183 PolarHBondContact O-OG1 3Å; D179-F185 CarbonylContact C-O 3.52Å |
| 180 | Y | 95.6 | Very high | 93.4 | Very high | 68 Ų | 68 | 90 Ų | 90 | 27% | 0.267 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 177.7 | -167.2 | -99.5 | 0 | 0 | 0 | 112.8 | C177 K178 G184 C186 H196 R198 | C177-Y180 PolarHBondContact O-N 3.15Å; C177-Y180 PolarHBondContact SG-N 2.87Å; K178-Y180 VanDerWaalsContact C-N 3.34Å; K178-Y180 PolarHBondContact O-N 2.74Å; Y180-G184 VanDerWaalsContact CE2-O 3.29Å; Y180-G184 WeakPolarHBondContact CE2-O 3.16Å; Y180-G184 WeakPolarHBondContact O-CA 3.47Å; Y180-G184 PolarHBondContact O-N 2.77Å; Y180-C186 HydrophobicContact CD2-CB 4.29Å; Y180-H196 HydrophobicContact CD1-CB 3.54Å; Y180-H196 AromaticContact CD1-CG 3.85Å; Y180-H196 HydrophobicContact CD2-CB 4.45Å; Y180-H196 AromaticContact CD2-CG 3.97Å; Y180-H196 HydrophobicContact CE1-CB 3.56Å; Y180-H196 HydrophobicContact CE2-CB 4.47Å; Y180-H196 HydrophobicContact CG-CB 4Å; Y180-H196 AromaticContact CG-CD2 3.62Å; Y180-H196 AromaticContact CG-CG 3.76Å; Y180-R198 HydrophobicContact CD1-CG 4.08Å; Y180-R198 HydrophobicContact CE1-CG 3.87Å; Y180-R198 PolarHBondContact O-NH1 3.11Å |
| 181 | K | 93.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 86.6 Ų | 86.6 | 28% | 0.283 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 178.6 | -177.3 | 171.4 | 179.5 | 162.8 | 0 | 111.2 | I176 C177 K178 R198 S199 | I176-K181 HydrophobicContact CG2-CB 4.23Å; I176-K181 HydrophobicContact CG2-CD 4.11Å; C177-K181 WeakPolarHBondContact O-CB 3.29Å; C177-K181 PolarHBondContact O-N 3.38Å; K178-K181 PolarHBondContact O-N 3.01Å; K181-R198 PolarHBondContact O-NH1 3.09Å; K181-S199 WeakPolarHBondContact CE-O 3.15Å; K181-S199 PolarHBondContact NZ-O 2.93Å |
| 182 | E | 91.4 | Very high | 93.4 | Very high | 121 Ų | 121 | 82.8 Ų | 82.8 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -75.4 | -52.2 | -177.5 | -68.4 | 172.2 | -167 | 0 | 0 | 111.7 | K178 | K178-E182 VanDerWaalsContact CE-OE1 3.24Å; K178-E182 WeakPolarHBondContact CE-OE1 3.23Å; K178-E182 WeakPolarHBondContact CG-OE1 3.4Å; K178-E182 IonicContact NZ-OE1 3.02Å; K178-E182 PolarHBondContact NZ-OE1 3.49Å; K178-E182 IonicContact NZ-OE2 2.77Å; K178-E182 PolarHBondContact NZ-OE2 3.2Å; K178-E182 PolarHBondContact O-N 2.6Å |
| 183 | T | 92.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 86.2 Ų | 86.2 | 58% | 0.577 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -95.5 | -26.4 | -169.4 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | D179 F185 | D179-T183 WeakPolarHBondContact O-CB 3.36Å; D179-T183 PolarHBondContact O-N 3.09Å; D179-T183 PolarHBondContact O-OG1 3Å; T183-F185 VanDerWaalsContact C-N 3.27Å; T183-F185 PolarHBondContact OG1-N 2.69Å; T183-F185 VanDerWaalsContact OG1-N 3.09Å; T183-F185 PolarHBondContact OG1-O 3.24Å |
| 184 | G | 92.8 | Very high | 93.7 | Very high | 31 Ų | 31 | 83.1 Ų | 83.1 | 32% | 0.32 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 85.6 | 2.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y180 | Y180-G184 VanDerWaalsContact CE2-O 3.29Å; Y180-G184 WeakPolarHBondContact CE2-O 3.16Å; Y180-G184 WeakPolarHBondContact O-CA 3.47Å; Y180-G184 PolarHBondContact O-N 2.77Å |
| 185 | F | 93.3 | Very high | 93.8 | Very high | 147 Ų | 147 | 85.4 Ų | 85.4 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | trans | -130.4 | 123.3 | 178.6 | -179.7 | -101.1 | 0 | 0 | 0 | 109.6 | D179 T183 | D179-F185 CarbonylContact C-O 3.52Å; T183-F185 VanDerWaalsContact C-N 3.27Å; T183-F185 PolarHBondContact OG1-N 2.69Å; T183-F185 VanDerWaalsContact OG1-N 3.09Å; T183-F185 PolarHBondContact OG1-O 3.24Å | ||
| 186 | C | 95.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 83.1 Ų | 83.1 | 3% | 0.034 | 43% | 0.434 | C | S | . | . | trans | -100.5 | 127.5 | 167.8 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | Y180 F188 G189 C192 H196 | Y180-C186 HydrophobicContact CD2-CB 4.29Å; C186-F188 PolarHBondContact O-N 3.43Å; C186-G189 PolarHBondContact O-N 2.89Å; C186-C192 VanDerWaalsContact SG-SG 3.64Å; C186-H196 VanDerWaalsContact CB-NE2 3.3Å; C186-H196 WeakPolarHBondContact CB-NE2 3.39Å | ||
| 187 | S | 93.6 | Very high | 93.9 | Very high | 81 Ų | 81 | 83.9 Ų | 83.9 | 57% | 0.566 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.7 | 175.6 | 53.4 | 0 | 0 | 0 | 0 | 113 | G189 | S187-G189 VanDerWaalsContact C-N 3.33Š|
| 188 | F | 94.8 | Very high | 93.8 | Very high | 138 Ų | 138 | 90 Ų | 90 | 61% | 0.605 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -8.7 | 176.8 | -57.5 | -73.6 | 0 | 0 | 0 | 113.7 | C186 D190 S191 C192 | C186-F188 PolarHBondContact O-N 3.43Å; F188-D190 PolarHBondContact O-N 2.98Å; F188-S191 WeakPolarHBondContact O-CB 3.43Å; F188-S191 PolarHBondContact O-N 3.18Å; F188-S191 VanDerWaalsContact O-N 3.11Å; F188-C192 HydrophobicContact CB-CB 4.07Å |
| 189 | G | 92.8 | Very high | 93.7 | Very high | 30 Ų | 30 | 85.4 Ų | 85.4 | 31% | 0.309 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | 51.1 | -138.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C186 S187 S191 C192 H196 | C186-G189 PolarHBondContact O-N 2.89Å; S187-G189 VanDerWaalsContact C-N 3.33Å; G189-S191 PolarHBondContact O-N 3.25Å; G189-S191 VanDerWaalsContact O-N 3.16Å; G189-C192 WeakPolarHBondContact O-CB 3.41Å; G189-C192 PolarHBondContact O-N 3.12Å; G189-H196 PolarHBondContact O-CE1 3.41Å |
| 190 | D | 93.2 | Very high | 93.3 | Very high | 163 Ų | 163 | 89 Ų | 89 | 87% | 0.872 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -70 | -8.5 | -179.3 | -61.2 | -19.4 | 0 | 0 | 0 | 114.1 | F188 C192 | F188-D190 PolarHBondContact O-N 2.98Å; D190-C192 PolarHBondContact O-N 3.06Å |
| 191 | S | 94.8 | Very high | 93 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 80% | 0.804 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -81 | -1.3 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | F188 G189 K193 | F188-S191 WeakPolarHBondContact O-CB 3.43Å; F188-S191 PolarHBondContact O-N 3.18Å; F188-S191 VanDerWaalsContact O-N 3.11Å; G189-S191 PolarHBondContact O-N 3.25Å; G189-S191 VanDerWaalsContact O-N 3.16Å; S191-K193 PolarHBondContact O-N 3.08Å |
| 192 | C | 94.3 | Very high | 92.8 | Very high | 23 Ų | 23 | 96.4 Ų | 96.4 | 16% | 0.155 | 49% | 0.494 | C | S | . | . | trans | -64.7 | 130.4 | 178.6 | -166.2 | 0 | 0 | 0 | 0 | 111.2 | C186 F188 G189 D190 F194 | C186-C192 VanDerWaalsContact SG-SG 3.64Å; F188-C192 HydrophobicContact CB-CB 4.07Å; G189-C192 WeakPolarHBondContact O-CB 3.41Å; G189-C192 PolarHBondContact O-N 3.12Å; D190-C192 PolarHBondContact O-N 3.06Å; C192-F194 PolarHBondContact O-N 2.88Å | ||
| 193 | K | 94.7 | Very high | 92.8 | Very high | 179 Ų | 179 | 93.4 Ų | 93.4 | 78% | 0.778 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -72.6 | -14.1 | 174.9 | 70.4 | 175.9 | -175.4 | 177.7 | 0 | 113.6 | S191 | S191-K193 PolarHBondContact O-N 3.08Š|
| 194 | F | 94.7 | Very high | 92.7 | Very high | 79 Ų | 79 | 90.8 Ų | 90.8 | 35% | 0.346 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -99.9 | 152.2 | -176.6 | -58.2 | -68.4 | 0 | 0 | 0 | 110.8 | D175 C177 C192 | D175-F194 HydrophobicContact CB-CD1 4.47Å; C177-F194 HydrophobicContact CB-CB 3.8Å; C192-F194 PolarHBondContact O-N 2.88Å |
| 195 | L | 93.6 | Very high | 92.7 | Very high | 109 Ų | 109 | 95.1 Ų | 95.1 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | B | Isolated β-bridge | trans | -68.2 | 130 | -179 | -170.8 | 68.5 | 0 | 0 | 0 | 111.5 | D175 C177 D197 | D175-L195 VanDerWaalsContact O-CB 3.23Å; D175-L195 WeakPolarHBondContact O-CB 3.47Å; D175-L195 PolarHBondContact O-N 3.27Å; C177-L195 PolarHBondContact N-O 3.34Å; L195-D197 HydrophobicContact CD2-CB 4.19Å; L195-D197 HydrophobicContact CG-CB 4.29Å; L195-D197 PolarHBondContact O-N 3.26Å; L195-D197 VanDerWaalsContact O-N 3.15Å |
| 196 | H | 95 | Very high | 92.6 | Very high | 60 Ų | 60 | 91 Ų | 91 | 28% | 0.278 | 46% | 0.46 | S | S | . | . | trans | -83.2 | 79.4 | 172.2 | -75.1 | 174.8 | 0 | 0 | 0 | 110.9 | Y180 C186 G189 | Y180-H196 HydrophobicContact CD1-CB 3.54Å; Y180-H196 AromaticContact CD1-CG 3.85Å; Y180-H196 HydrophobicContact CD2-CB 4.45Å; Y180-H196 AromaticContact CD2-CG 3.97Å; Y180-H196 HydrophobicContact CE1-CB 3.56Å; Y180-H196 HydrophobicContact CE2-CB 4.47Å; Y180-H196 HydrophobicContact CG-CB 4Å; Y180-H196 AromaticContact CG-CD2 3.62Å; Y180-H196 AromaticContact CG-CG 3.76Å; C186-H196 VanDerWaalsContact CB-NE2 3.3Å; C186-H196 WeakPolarHBondContact CB-NE2 3.39Å; G189-H196 PolarHBondContact O-CE1 3.41Å | ||
| 197 | D | 93.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 93.4 Ų | 93.4 | 31% | 0.305 | 47% | 0.472 | S | S | . | . | trans | -121 | 137.9 | 174 | -170.9 | 10.8 | 0 | 0 | 0 | 110.6 | L195 S199 | L195-D197 HydrophobicContact CD2-CB 4.19Å; L195-D197 HydrophobicContact CG-CB 4.29Å; L195-D197 PolarHBondContact O-N 3.26Å; L195-D197 VanDerWaalsContact O-N 3.15Å; D197-S199 VanDerWaalsContact CG-OG 3.27Å; D197-S199 WeakPolarHBondContact OD1-CB 3.27Å; D197-S199 PolarHBondContact OD1-N 3.42Å; D197-S199 PolarHBondContact OD1-OG 3.21Å; D197-S199 WeakPolarHBondContact OD2-CB 3.4Å; D197-S199 PolarHBondContact OD2-OG 2.98Å | ||
| 198 | R | 91.4 | Very high | 92.3 | Very high | 133 Ų | 133 | 95 Ų | 95 | 50% | 0.502 | 47% | 0.471 | S | S | . | . | trans | -108.2 | 11.2 | 177.3 | -67.1 | 179.3 | 64.5 | 74.2 | -5.5 | 112.1 | Y180 K181 | Y180-R198 HydrophobicContact CD1-CG 4.08Å; Y180-R198 HydrophobicContact CE1-CG 3.87Å; Y180-R198 PolarHBondContact O-NH1 3.11Å; K181-R198 PolarHBondContact O-NH1 3.09Å | ||
| 199 | S | 90.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 93 Ų | 93 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | trans | -67.8 | 137.8 | 176.2 | 76.3 | 0 | 0 | 0 | 0 | 112.1 | K181 D197 | K181-S199 WeakPolarHBondContact CE-O 3.15Å; K181-S199 PolarHBondContact NZ-O 2.93Å; D197-S199 VanDerWaalsContact CG-OG 3.27Å; D197-S199 WeakPolarHBondContact OD1-CB 3.27Å; D197-S199 PolarHBondContact OD1-N 3.42Å; D197-S199 PolarHBondContact OD1-OG 3.21Å; D197-S199 WeakPolarHBondContact OD2-CB 3.4Å; D197-S199 PolarHBondContact OD2-OG 2.98Å | ||
| 200 | D | 87.7 | Confident | 92 | Very high | 144 Ų | 144 | 93.3 Ų | 93.3 | 77% | 0.77 | 46% | 0.457 | S | S | * | . | trans | -109.2 | 23.1 | -177.3 | 62.3 | -24.2 | 0 | 0 | 0 | 112.6 | ||||
| 201 | Y | 89.5 | Confident | 91.9 | Very high | 186 Ų | 186 | 91.2 Ų | 91.2 | 73% | 0.729 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 145.7 | 175.3 | -62.4 | -68.8 | 0 | 0 | 0 | 112.2 | ||
| 202 | K | 88.7 | Confident | 91.7 | Very high | 102 Ų | 102 | 90 Ų | 90 | 44% | 0.443 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 140.8 | 175 | -62 | -179.1 | -175.4 | -176 | 0 | 110.5 | Q206 I207 E210 | K202-Q206 HydrophobicContact CB-CB 4.34Å; K202-I207 HydrophobicContact CB-CD1 4.3Å; K202-I207 HydrophobicContact CB-CG1 3.94Å; K202-E210 WeakPolarHBondContact CD-OE1 3.3Å; K202-E210 WeakPolarHBondContact CE-OE1 3.37Å; K202-E210 IonicContact NZ-OE1 3.8Å; K202-E210 PolarHBondContact NZ-OE1 2.94Å; K202-E210 IonicContact NZ-OE2 2.72Å; K202-E210 PolarHBondContact NZ-OE2 3.38Å |
| 203 | H | 91.1 | Very high | 91.5 | Very high | 58 Ų | 58 | 94.7 Ų | 94.7 | 27% | 0.269 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 156.5 | 174.6 | -62.6 | 79 | 0 | 0 | 0 | 110.5 | W205 Q206 I207 | H203-W205 VanDerWaalsContact CB-CD1 3.46Å; H203-W205 HydrophobicContact CB-CG 4.34Å; H203-W205 AromaticContact CG-NE1 3.85Å; H203-W205 PolarHBondContact O-N 3.2Å; H203-Q206 HydrophobicContact CB-CG 4.36Å; H203-Q206 PolarHBondContact ND1-OE1 3.39Å; H203-Q206 WeakPolarHBondContact O-CB 3.34Å; H203-Q206 PolarHBondContact O-N 3.46Å; H203-I207 PolarHBondContact O-N 3.04Å; H203-I207 VanDerWaalsContact O-N 3.12Å |
| 204 | G | 92 | Very high | 91 | Very high | 38 Ų | 38 | 88.7 Ų | 88.7 | 39% | 0.392 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -52.4 | -40.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q206 I207 E208 | G204-Q206 PolarHBondContact O-N 2.91Å; G204-I207 PolarHBondContact O-N 2.86Å; G204-E208 WeakPolarHBondContact O-CG 3.2Å; G204-E208 PolarHBondContact O-N 2.99Å |
| 205 | W | 92 | Very high | 90.4 | Very high | 122 Ų | 122 | 87.2 Ų | 87.2 | 46% | 0.462 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 178.1 | 71.3 | -95.7 | 0 | 0 | 0 | 113.5 | Y172 H203 Q209 | Y172-W205 HydrophobicContact CD1-CB 4.45Å; Y172-W205 HydrophobicContact CE1-CB 4.41Å; H203-W205 VanDerWaalsContact CB-CD1 3.46Å; H203-W205 HydrophobicContact CB-CG 4.34Å; H203-W205 AromaticContact CG-NE1 3.85Å; H203-W205 PolarHBondContact O-N 3.2Å; W205-Q209 PolarHBondContact O-N 3.23Å; W205-Q209 VanDerWaalsContact O-N 3.09Å |
| 206 | Q | 90.4 | Very high | 89.7 | Confident | 60 Ų | 60 | 88.1 Ų | 88.1 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 175.6 | -64.8 | 175.4 | -46.6 | 0 | 0 | 110.2 | K202 H203 G204 Q209 E210 | K202-Q206 HydrophobicContact CB-CB 4.34Å; H203-Q206 HydrophobicContact CB-CG 4.36Å; H203-Q206 PolarHBondContact ND1-OE1 3.39Å; H203-Q206 WeakPolarHBondContact O-CB 3.34Å; H203-Q206 PolarHBondContact O-N 3.46Å; G204-Q206 PolarHBondContact O-N 2.91Å; Q206-Q209 PolarHBondContact O-N 2.92Å; Q206-E210 WeakPolarHBondContact O-CG 3.43Å; Q206-E210 PolarHBondContact O-N 3.48Å |
| 207 | I | 91.5 | Very high | 88.7 | Confident | 56 Ų | 56 | 88 Ų | 88 | 29% | 0.287 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 176.4 | -64.2 | 168.7 | 0 | 0 | 0 | 111 | K202 H203 G204 Q209 E210 L211 Y216 | K202-I207 HydrophobicContact CB-CD1 4.3Å; K202-I207 HydrophobicContact CB-CG1 3.94Å; H203-I207 PolarHBondContact O-N 3.04Å; H203-I207 VanDerWaalsContact O-N 3.12Å; G204-I207 PolarHBondContact O-N 2.86Å; I207-Q209 VanDerWaalsContact C-N 3.28Å; I207-Q209 PolarHBondContact O-N 3.42Å; I207-E210 PolarHBondContact O-N 3.14Å; I207-L211 VanDerWaalsContact O-CB 3.27Å; I207-L211 WeakPolarHBondContact O-CB 3.37Å; I207-L211 PolarHBondContact O-N 2.84Å; I207-Y216 HydrophobicContact CB-CE2 4.47Å; I207-Y216 HydrophobicContact CG1-CE2 4.32Å; I207-Y216 HydrophobicContact CG2-CD2 3.95Å; I207-Y216 HydrophobicContact CG2-CE2 3.62Å |
| 208 | E | 92.3 | Very high | 87.7 | Confident | 114 Ų | 114 | 89.3 Ų | 89.3 | 53% | 0.533 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 176.2 | -76.1 | 176.1 | -171.3 | 0 | 0 | 111.8 | G204 A212 | G204-E208 WeakPolarHBondContact O-CG 3.2Å; G204-E208 PolarHBondContact O-N 2.99Å; E208-A212 WeakPolarHBondContact O-CB 3.36Å; E208-A212 PolarHBondContact O-N 3.45Å |
| 209 | Q | 90.7 | Very high | 86.3 | Confident | 96 Ų | 96 | 90.2 Ų | 90.2 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -50.5 | 175.2 | -177.9 | 173.3 | 16.4 | 0 | 0 | 112 | W205 Q206 I207 L211 A212 E213 | W205-Q209 PolarHBondContact O-N 3.23Å; W205-Q209 VanDerWaalsContact O-N 3.09Å; Q206-Q209 PolarHBondContact O-N 2.92Å; I207-Q209 VanDerWaalsContact C-N 3.28Å; I207-Q209 PolarHBondContact O-N 3.42Å; Q209-L211 PolarHBondContact O-N 2.93Å; Q209-A212 PolarHBondContact O-N 2.99Å; Q209-A212 VanDerWaalsContact O-N 3.09Å; Q209-E213 VanDerWaalsContact CG-OE1 3.24Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.24Å; Q209-E213 PolarHBondContact NE2-OE1 2.99Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 3.4Å |
| 210 | E | 90.7 | Very high | 84.8 | Confident | 38 Ų | 38 | 91.8 Ų | 91.8 | 18% | 0.178 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -60 | -34.8 | 177.9 | -73.3 | 176.8 | -177.8 | 0 | 0 | 112.3 | K202 Q206 I207 G214 V215 Y216 | K202-E210 WeakPolarHBondContact CD-OE1 3.3Å; K202-E210 WeakPolarHBondContact CE-OE1 3.37Å; K202-E210 IonicContact NZ-OE1 3.8Å; K202-E210 PolarHBondContact NZ-OE1 2.94Å; K202-E210 IonicContact NZ-OE2 2.72Å; K202-E210 PolarHBondContact NZ-OE2 3.38Å; Q206-E210 WeakPolarHBondContact O-CG 3.43Å; Q206-E210 PolarHBondContact O-N 3.48Å; I207-E210 PolarHBondContact O-N 3.14Å; E210-G214 CarbonylContact O-C 3.59Å; E210-G214 PolarHBondContact O-N 3.3Å; E210-V215 PolarHBondContact O-N 3.42Å; E210-Y216 HydrophobicContact CB-CD2 4.35Å; E210-Y216 PolarHBondContact O-N 3.47Å; E210-Y216 VanDerWaalsContact O-N 3.08Å |
| 211 | L | 90.6 | Very high | 83.3 | Confident | 118 Ų | 118 | 90.7 Ų | 90.7 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.4 | -40.3 | 176.2 | -175.2 | 66.4 | 0 | 0 | 0 | 111.5 | I207 Q209 G214 Y216 | I207-L211 VanDerWaalsContact O-CB 3.27Å; I207-L211 WeakPolarHBondContact O-CB 3.37Å; I207-L211 PolarHBondContact O-N 2.84Å; Q209-L211 PolarHBondContact O-N 2.93Å; L211-G214 PolarHBondContact O-N 3.36Å; L211-Y216 HydrophobicContact CD1-CD1 4.45Å |
| 212 | A | 91.8 | Very high | 81.9 | Confident | 91 Ų | 91 | 88.9 Ų | 88.9 | 75% | 0.752 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.4 | -36.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E208 Q209 G214 | E208-A212 WeakPolarHBondContact O-CB 3.36Å; E208-A212 PolarHBondContact O-N 3.45Å; Q209-A212 PolarHBondContact O-N 2.99Å; Q209-A212 VanDerWaalsContact O-N 3.09Å; A212-G214 VanDerWaalsContact C-N 3.27Å |
| 213 | E | 90.4 | Very high | 80.5 | Confident | 121 Ų | 121 | 88.2 Ų | 88.2 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -78.1 | -12.7 | 175.2 | -67.6 | 170.9 | -171 | 0 | 0 | 112.5 | Q209 V215 | Q209-E213 VanDerWaalsContact CG-OE1 3.24Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.24Å; Q209-E213 PolarHBondContact NE2-OE1 2.99Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 3.4Å; E213-V215 VanDerWaalsContact C-N 3.26Å; E213-V215 HydrophobicContact CB-CG2 3.96Å; E213-V215 PolarHBondContact O-N 3.09Å |
| 214 | G | 84.3 | Confident | 79 | Confident | 52 Ų | 52 | 91.4 Ų | 91.4 | 54% | 0.536 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 15.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | E210 L211 A212 I218 | E210-G214 CarbonylContact O-C 3.59Å; E210-G214 PolarHBondContact O-N 3.3Å; L211-G214 PolarHBondContact O-N 3.36Å; A212-G214 VanDerWaalsContact C-N 3.27Å; G214-I218 WeakPolarHBondContact O-CD1 3.24Å |
| 215 | V | 82 | Confident | 77.4 | Confident | 48 Ų | 48 | 99.7 Ų | 99.7 | 29% | 0.291 | 53% | 0.526 | S | S | . | . | trans | -90.6 | -14.7 | -179.4 | -175 | 0 | 0 | 0 | 0 | 111.6 | E210 E213 G217 I218 | E210-V215 PolarHBondContact O-N 3.42Å; E213-V215 VanDerWaalsContact C-N 3.26Å; E213-V215 HydrophobicContact CB-CG2 3.96Å; E213-V215 PolarHBondContact O-N 3.09Å; V215-G217 PolarHBondContact O-N 2.86Å; V215-I218 WeakPolarHBondContact O-CB 3.44Å; V215-I218 PolarHBondContact O-N 3Å | ||
| 216 | Y | 78.1 | Confident | 75.8 | Confident | 128 Ų | 128 | 99.9 Ų | 99.9 | 50% | 0.502 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 123.2 | 179.3 | -173.5 | -104 | 0 | 0 | 0 | 111.7 | I207 E210 L211 I218 | I207-Y216 HydrophobicContact CB-CE2 4.47Å; I207-Y216 HydrophobicContact CG1-CE2 4.32Å; I207-Y216 HydrophobicContact CG2-CD2 3.95Å; I207-Y216 HydrophobicContact CG2-CE2 3.62Å; E210-Y216 HydrophobicContact CB-CD2 4.35Å; E210-Y216 PolarHBondContact O-N 3.47Å; E210-Y216 VanDerWaalsContact O-N 3.08Å; L211-Y216 HydrophobicContact CD1-CD1 4.45Å; Y216-I218 VanDerWaalsContact C-N 3.31Å |
| 217 | G | 74.8 | Confident | 73.9 | Confident | 57 Ų | 57 | 104 Ų | 104 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.9 | 3.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V215 D219 | V215-G217 PolarHBondContact O-N 2.86Å; G217-D219 VanDerWaalsContact C-N 3.28Å; G217-D219 PolarHBondContact O-N 2.91Å; G217-D219 VanDerWaalsContact O-N 3.09Å |
| 218 | I | 71.1 | Confident | 71.4 | Confident | 86 Ų | 86 | 105 Ų | 105 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | trans | -81.6 | 83.4 | 166.4 | -53.1 | -178 | 0 | 0 | 0 | 107.6 | G214 V215 Y216 G220 R224 | G214-I218 WeakPolarHBondContact O-CD1 3.24Å; V215-I218 WeakPolarHBondContact O-CB 3.44Å; V215-I218 PolarHBondContact O-N 3Å; Y216-I218 VanDerWaalsContact C-N 3.31Å; I218-G220 PolarHBondContact O-N 3.01Å; I218-R224 PolarHBondContact O-NH1 3.09Å; I218-R224 PolarHBondContact O-NH2 2.94Å | ||
| 219 | D | 62.1 | Low | 69.1 | Low | 152 Ų | 152 | 108.4 Ų | 108.4 | 81% | 0.813 | 58% | 0.582 | S | S | * | * | trans | -81.8 | 102 | 167.2 | -62.5 | -32.1 | 0 | 0 | 0 | 107.2 | G217 | G217-D219 VanDerWaalsContact C-N 3.28Å; G217-D219 PolarHBondContact O-N 2.91Å; G217-D219 VanDerWaalsContact O-N 3.09Å | ||
| 220 | G | 59.6 | Low | 66.7 | Low | 61 Ų | 61 | 112.3 Ų | 112.3 | 63% | 0.629 | 60% | 0.598 | S | S | * | * | trans | 158.4 | 0.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | I218 | I218-G220 PolarHBondContact O-N 3.01Š| ||
| 221 | E | 55.3 | Low | 64 | Low | 121 Ų | 121 | 113.4 Ų | 113.4 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | trans | -107.9 | 88.7 | 170.8 | -143.1 | 99.9 | -139.1 | 0 | 0 | 109 | N223 R224 | E221-N223 HydrophobicContact CG-CB 4.5Å; E221-N223 PolarHBondContact O-N 3.35Å; E221-R224 PolarHBondContact O-N 3.08Å | ||
| 222 | D | 60.3 | Low | 61.8 | Low | 148 Ų | 148 | 115.6 Ų | 115.6 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -59.9 | -2.3 | 178.2 | -78.9 | -21.2 | 0 | 0 | 0 | 113.7 | R224 | D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 3.36Å |
| 223 | N | 59.4 | Low | 59.6 | Low | 88 Ų | 88 | 117.8 Ų | 117.8 | 47% | 0.471 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -79.2 | -5.4 | 178.3 | -56.6 | -24.6 | 0 | 0 | 0 | 113.4 | E221 Y225 E226 | E221-N223 HydrophobicContact CG-CB 4.5Å; E221-N223 PolarHBondContact O-N 3.35Å; N223-Y225 PolarHBondContact O-N 3.08Å; N223-E226 PolarHBondContact O-N 2.72Å; N223-E226 VanDerWaalsContact O-N 3.17Å |
| 224 | R | 60.4 | Low | 57.6 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 47% | 0.468 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -63.5 | -21.5 | -179.6 | -73.5 | -172.7 | -70.4 | -140.3 | -2 | 114.1 | I218 E221 D222 | I218-R224 PolarHBondContact O-NH1 3.09Å; I218-R224 PolarHBondContact O-NH2 2.94Å; E221-R224 PolarHBondContact O-N 3.08Å; D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 3.36Å |
| 225 | Y | 58.4 | Low | 55.9 | Low | 213 Ų | 213 | 124.8 Ų | 124.8 | 84% | 0.835 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -112.4 | 0.9 | 175.8 | -58.2 | -76.2 | 0 | 0 | 0 | 113.2 | N223 I227 | N223-Y225 PolarHBondContact O-N 3.08Å; Y225-I227 PolarHBondContact O-N 2.62Å |
| 226 | E | 58.3 | Low | 54.2 | Low | 126 Ų | 126 | 130.5 Ų | 130.5 | 59% | 0.589 | 65% | 0.653 | S | S | * | * | trans | -72.6 | 102.6 | 170.9 | -72.8 | -167.7 | 169.8 | 0 | 0 | 108.3 | N223 S228 | N223-E226 PolarHBondContact O-N 2.72Å; N223-E226 VanDerWaalsContact O-N 3.17Å; E226-S228 PolarHBondContact O-N 3.17Å | ||
| 227 | I | 50.3 | Low | 52.5 | Low | 147 Ų | 147 | 126 Ų | 126 | 75% | 0.754 | 65% | 0.646 | S | S | * | * | trans | -66 | 85.9 | 158.5 | -55.6 | 170.6 | 0 | 0 | 0 | 105.2 | Y225 H229 | Y225-I227 PolarHBondContact O-N 2.62Å; I227-H229 PolarHBondContact O-N 2.87Å | ||
| 228 | S | 39.3 | Very low | 51.2 | Low | 76 Ų | 76 | 126.8 Ų | 126.8 | 53% | 0.531 | 63% | 0.634 | S | S | . | * | trans | -63.7 | 103.9 | 174.2 | 63.4 | 0 | 0 | 0 | 0 | 106.9 | E226 K230 | E226-S228 PolarHBondContact O-N 3.17Å; S228-K230 PolarHBondContact O-N 3.2Å | ||
| 229 | H | 44.3 | Very low | 50.5 | Low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.856 | 66% | 0.656 | S | S | * | * | trans | -61.8 | 10.6 | 165.6 | -85.6 | -73 | 0 | 0 | 0 | 113.1 | I227 S231 | I227-H229 PolarHBondContact O-N 2.87Å; H229-S231 PolarHBondContact O-N 3.05Å | ||
| 230 | K | 38.5 | Very low | 50.4 | Low | 179 Ų | 179 | 128.2 Ų | 128.2 | 78% | 0.778 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -73 | 85.8 | 161 | -71.5 | 177.2 | -177.5 | 168.2 | 0 | 107.4 | S228 E232 | S228-K230 PolarHBondContact O-N 3.2Å; K230-E232 PolarHBondContact O-N 2.96Å |
| 231 | S | 35.6 | Very low | 51 | Low | 60 Ų | 60 | 126.2 Ų | 126.2 | 42% | 0.42 | 63% | 0.628 | S | S | . | * | trans | -1.8 | 110.6 | 162.4 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | H229 E233 E234 | H229-S231 PolarHBondContact O-N 3.05Å; S231-E233 PolarHBondContact O-N 3.13Å; S231-E234 PolarHBondContact O-N 3.13Å | ||
| 232 | E | 44.3 | Very low | 52.2 | Low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.5 | -3 | 165 | -63.5 | 162.8 | -178.7 | 0 | 0 | 113.3 | K230 | K230-E232 PolarHBondContact O-N 2.96Š|
| 233 | E | 44.5 | Very low | 53.4 | Low | 137 Ų | 137 | 117.4 Ų | 117.4 | 64% | 0.64 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -14.6 | 177.6 | -55.7 | -161.3 | -158.9 | 0 | 0 | 115.9 | S231 K261 | S231-E233 PolarHBondContact O-N 3.13Å; E233-K261 IonicContact OE2-NZ 2.69Å; E233-K261 PolarHBondContact OE2-NZ 3.29Å |
| 234 | E | 48.1 | Very low | 54.9 | Low | 138 Ų | 138 | 117.9 Ų | 117.9 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -26.7 | -171.9 | -65.1 | -160.6 | 159 | 0 | 0 | 115.9 | S231 | S231-E234 PolarHBondContact O-N 3.13Š|
| 235 | E | 48.8 | Very low | 56.4 | Low | 182 Ų | 182 | 112 Ų | 112 | 85% | 0.85 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -28.6 | -177.8 | -87.4 | -179.1 | 163 | 0 | 0 | 115.1 | G237 F238 | E235-G237 PolarHBondContact O-N 2.8Å; E235-F238 PolarHBondContact O-N 3.22Å |
| 236 | E | 46.4 | Very low | 57.9 | Low | 168 Ų | 168 | 104.5 Ų | 104.5 | 79% | 0.785 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -2.1 | 177.5 | -65.8 | -166.7 | 157.6 | 0 | 0 | 114.2 | ||
| 237 | G | 43 | Very low | 59.5 | Low | 34 Ų | 34 | 101 Ų | 101 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -1.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E235 E239 I241 | E235-G237 PolarHBondContact O-N 2.8Å; G237-E239 PolarHBondContact O-N 3.09Å; G237-I241 WeakPolarHBondContact O-CG1 3.37Å |
| 238 | F | 48.1 | Very low | 61.6 | Low | 74 Ų | 74 | 96 Ų | 96 | 33% | 0.325 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -28.9 | -167.6 | -166.7 | -100.5 | 0 | 0 | 0 | 113.9 | E235 L303 K306 | E235-F238 PolarHBondContact O-N 3.22Å; F238-L303 HydrophobicContact CD1-CD2 4.3Å; F238-L303 HydrophobicContact CE1-CD2 3.55Å; F238-L303 HydrophobicContact CE2-CD2 4.24Å; F238-L303 HydrophobicContact CZ-CD2 3.51Å; F238-L303 HydrophobicContact CZ-CG 4.12Å; F238-K306 HydrophobicContact CE1-CD 4.31Å; F238-K306 HydrophobicContact CZ-CD 4.23Å |
| 239 | E | 54.7 | Low | 64 | Low | 195 Ų | 195 | 102.2 Ų | 102.2 | 91% | 0.911 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -7.1 | -173.3 | -62.4 | -167.7 | 157.4 | 0 | 0 | 114.8 | G237 | G237-E239 PolarHBondContact O-N 3.09Š|
| 240 | G | 61.5 | Low | 66.2 | Low | 73 Ų | 73 | 100.3 Ų | 100.3 | 75% | 0.753 | 50% | 0.5 | S | S | * | . | trans | -104.7 | 0.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S242 | G240-S242 PolarHBondContact O-N 3.06Š| ||
| 241 | I | 72 | Confident | 68.7 | Low | 19 Ų | 19 | 95.2 Ų | 95.2 | 10% | 0.097 | 48% | 0.482 | C | S | . | . | trans | -79.1 | 109.1 | -174 | -61.1 | 165.5 | 0 | 0 | 0 | 109.9 | G237 L243 Y263 L296 R299 I300 L303 | G237-I241 WeakPolarHBondContact O-CG1 3.37Å; I241-L243 PolarHBondContact O-N 3.47Å; I241-Y263 HydrophobicContact CG1-CE2 4.28Å; I241-L296 HydrophobicContact CG2-CD1 3.56Å; I241-R299 HydrophobicContact CD1-CB 4.4Å; I241-I300 HydrophobicContact CG2-CG1 4.45Å; I241-L303 HydrophobicContact CB-CD1 4.43Å | ||
| 242 | S | 80.5 | Confident | 71.4 | Confident | 50 Ų | 50 | 93.2 Ų | 93.2 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | trans | -56.2 | 130.1 | 170.6 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | G240 F244 Y252 | G240-S242 PolarHBondContact O-N 3.06Å; S242-F244 PolarHBondContact O-N 3.41Å; S242-F244 PolarHBondContact OG-N 3.42Å; S242-F244 PolarHBondContact OG-O 3.12Å; S242-Y252 VanDerWaalsContact O-CE2 3.26Å; S242-Y252 WeakPolarHBondContact O-CE2 3.5Å; S242-Y252 PolarHBondContact O-OH 3.05Å | ||
| 243 | L | 85.7 | Confident | 73.6 | Confident | 33 Ų | 33 | 92.4 Ų | 92.4 | 17% | 0.173 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -69.1 | -19.3 | 178 | -71.4 | 165.7 | 0 | 0 | 0 | 112.9 | I241 I300 L303 R304 K307 | I241-L243 PolarHBondContact O-N 3.47Å; L243-I300 HydrophobicContact CD2-CG2 4.09Å; L243-L303 HydrophobicContact CD2-CB 4.16Å; L243-R304 HydrophobicContact CD2-CG 4.32Å; L243-K307 HydrophobicContact CD1-CD 4.44Å |
| 244 | F | 89.8 | Confident | 75.9 | Confident | 98 Ų | 98 | 90.9 Ų | 90.9 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -126.1 | 151.2 | -176.9 | -53.8 | -74 | 0 | 0 | 0 | 110.8 | S242 M246 D251 Y252 | S242-F244 PolarHBondContact O-N 3.41Å; S242-F244 PolarHBondContact OG-N 3.42Å; S242-F244 PolarHBondContact OG-O 3.12Å; F244-M246 PolarHBondContact O-N 3.37Å; F244-D251 WeakPolarHBondContact CD1-OD1 3.38Å; F244-D251 WeakPolarHBondContact CE1-OD1 3.44Å; F244-Y252 VanDerWaalsContact C-CE2 3.48Å; F244-Y252 VanDerWaalsContact C-CZ 3.44Å; F244-Y252 PolarHBondContact O-OH 3.38Å |
| 245 | C | 93.1 | Very high | 78 | Confident | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 43% | 0.427 | C | S | . | . | trans | -62.7 | 127.3 | 173 | 174 | 0 | 0 | 0 | 0 | 110.7 | I247 C248 R249 K250 Y252 C265 | C245-I247 PolarHBondContact O-N 2.79Å; C245-I247 VanDerWaalsContact O-N 3.15Å; C245-C248 WeakPolarHBondContact CB-SG 3.48Å; C245-C248 VanDerWaalsContact SG-SG 3.61Å; C245-R249 WeakPolarHBondContact O-CA 3.37Å; C245-R249 PolarHBondContact O-N 2.87Å; C245-K250 PolarHBondContact N-O 3.49Å; C245-Y252 VanDerWaalsContact CA-CE1 3.46Å; C245-Y252 HydrophobicContact CB-CD1 3.84Å; C245-Y252 HydrophobicContact CB-CE1 3.74Å; C245-C265 VanDerWaalsContact CB-SG 3.52Å; C245-C265 PolarHBondContact SG-N 3.05Å; C245-C265 VanDerWaalsContact SG-SG 3.65Å | ||
| 246 | M | 89.3 | Confident | 80.2 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 28% | 0.281 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.7 | -176.1 | -65.9 | -178.4 | -76.6 | 0 | 0 | 113.9 | F244 H262 F264 Y280 A281 | F244-M246 PolarHBondContact O-N 3.37Å; M246-H262 HydrophobicContact CE-CB 3.99Å; M246-F264 HydrophobicContact CB-CE1 4.11Å; M246-F264 HydrophobicContact CE-CD1 4.36Å; M246-F264 HydrophobicContact CE-CE1 3.52Å; M246-F264 HydrophobicContact CE-CZ 3.63Å; M246-Y280 HydrophobicContact CB-CD1 3.83Å; M246-Y280 HydrophobicContact CB-CE1 3.98Å; M246-Y280 VanDerWaalsContact O-CE1 3.24Å; M246-Y280 WeakPolarHBondContact O-CE1 3.31Å; M246-A281 HydrophobicContact CE-CB 3.61Å; M246-A281 HydrophobicContact SD-CB 3.88Å |
| 247 | I | 92.2 | Very high | 82.4 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -49.4 | -177.9 | -63.5 | 168.3 | 0 | 0 | 0 | 111.2 | C245 F264 C268 R272 Y280 | C245-I247 PolarHBondContact O-N 2.79Å; C245-I247 VanDerWaalsContact O-N 3.15Å; I247-F264 HydrophobicContact CD1-CB 4.38Å; I247-F264 HydrophobicContact CD1-CD1 3.44Å; I247-F264 VanDerWaalsContact CD1-CD1 3.44Å; I247-F264 HydrophobicContact CD1-CE1 3.9Å; I247-F264 HydrophobicContact CD1-CG 4.01Å; I247-F264 HydrophobicContact CG1-CD1 3.71Å; I247-F264 HydrophobicContact CG1-CE1 3.95Å; I247-C268 HydrophobicContact CB-CB 3.87Å; I247-C268 HydrophobicContact CD1-CB 3.79Å; I247-C268 HydrophobicContact CG1-CB 4.41Å; I247-C268 HydrophobicContact CG2-CB 3.88Å; I247-R272 HydrophobicContact CD1-CB 4.18Å; I247-Y280 HydrophobicContact CG1-CD1 4Å; I247-Y280 HydrophobicContact CG1-CD2 4.25Å; I247-Y280 HydrophobicContact CG1-CG 3.83Å |
| 248 | C | 92.9 | Very high | 84.7 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 28% | 0.284 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -10.3 | -175.1 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | C245 K250 | C245-C248 WeakPolarHBondContact CB-SG 3.48Å; C245-C248 VanDerWaalsContact SG-SG 3.61Å; C248-K250 PolarHBondContact O-N 3.2Å; C248-K250 VanDerWaalsContact O-N 3.17Å |
| 249 | R | 89.8 | Confident | 86.8 | Confident | 208 Ų | 208 | 69.5 Ų | 69.5 | 79% | 0.785 | 35% | 0.353 | S | S | * | . | trans | 55.1 | 26 | -175.9 | -55 | -178.7 | -178.9 | 179.1 | -1.3 | 113.9 | C245 | C245-R249 WeakPolarHBondContact O-CA 3.37Å; C245-R249 PolarHBondContact O-N 2.87Å | ||
| 250 | K | 91.2 | Very high | 88.5 | Confident | 144 Ų | 144 | 61.7 Ų | 61.7 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -111.2 | 169 | 175.3 | -64.1 | 174.4 | -173.9 | -179.1 | 0 | 109.4 | C245 C248 | C245-K250 PolarHBondContact N-O 3.49Å; C248-K250 PolarHBondContact O-N 3.2Å; C248-K250 VanDerWaalsContact O-N 3.17Å |
| 251 | D | 91.8 | Very high | 89.9 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 144.2 | 167.4 | -73.7 | 7.3 | 0 | 0 | 0 | 110.7 | F244 K253 R304 | F244-D251 WeakPolarHBondContact CD1-OD1 3.38Å; F244-D251 WeakPolarHBondContact CE1-OD1 3.44Å; D251-K253 PolarHBondContact O-N 3.18Å; D251-R304 IonicContact OD1-CZ 3.04Å; D251-R304 IonicContact OD1-NH2 3.6Å; D251-R304 PolarHBondContact OD1-NH2 2.98Å; D251-R304 IonicContact OD2-CZ 2.77Å; D251-R304 IonicContact OD2-NH1 3.8Å; D251-R304 PolarHBondContact OD2-NH1 3.33Å; D251-R304 VanDerWaalsContact OD2-NH1 3.1Å; D251-R304 IonicContact OD2-NH2 2.78Å; D251-R304 PolarHBondContact OD2-NH2 3.36Å |
| 252 | Y | 92.6 | Very high | 90.8 | Very high | 17 Ų | 17 | 65.3 Ų | 65.3 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 121.6 | -178.9 | -68.7 | -84.8 | 0 | 0 | 0 | 110.9 | S242 F244 C245 P255 Y263 L296 I300 | S242-Y252 VanDerWaalsContact O-CE2 3.26Å; S242-Y252 WeakPolarHBondContact O-CE2 3.5Å; S242-Y252 PolarHBondContact O-OH 3.05Å; F244-Y252 VanDerWaalsContact C-CE2 3.48Å; F244-Y252 VanDerWaalsContact C-CZ 3.44Å; F244-Y252 PolarHBondContact O-OH 3.38Å; C245-Y252 VanDerWaalsContact CA-CE1 3.46Å; C245-Y252 HydrophobicContact CB-CD1 3.84Å; C245-Y252 HydrophobicContact CB-CE1 3.74Å; Y252-P255 HydrophobicContact CD1-CB 4.24Å; Y252-P255 HydrophobicContact CG-CB 4.36Å; Y252-Y263 WeakPolarHBondContact CE1-O 3.47Å; Y252-L296 HydrophobicContact CD1-CD2 4.1Å; Y252-L296 HydrophobicContact CD2-CD2 4.07Å; Y252-L296 HydrophobicContact CE1-CD2 4.22Å; Y252-L296 HydrophobicContact CE2-CD2 4.18Å; Y252-L296 HydrophobicContact CG-CD2 4Å; Y252-I300 HydrophobicContact CD2-CD1 3.36Å; Y252-I300 HydrophobicContact CE2-CD1 3.66Å; Y252-I300 HydrophobicContact CG-CD1 4.38Å |
| 253 | K | 89.6 | Confident | 91.4 | Very high | 148 Ų | 148 | 65.1 Ų | 65.1 | 64% | 0.643 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -102.8 | 119.3 | 165.9 | -62.1 | -173.9 | 177.9 | -169.3 | 0 | 107.3 | D251 C265 S266 | D251-K253 PolarHBondContact O-N 3.18Å; K253-C265 PolarHBondContact N-SG 3.45Å; K253-C265 VanDerWaalsContact N-SG 3.4Å; K253-C265 VanDerWaalsContact O-CA 3.27Å; K253-C265 WeakPolarHBondContact O-CA 3.38Å; K253-C265 VanDerWaalsContact O-CB 3.24Å; K253-C265 WeakPolarHBondContact O-CB 3.41Å; K253-S266 PolarHBondContact O-N 3.39Å |
| 254 | D | 91.8 | Very high | 91.8 | Very high | 105 Ų | 105 | 63.8 Ų | 63.8 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 45.7 | 73.2 | -175.8 | -56.3 | -31.9 | 0 | 0 | 0 | 112.9 | S266 | D254-S266 PolarHBondContact O-N 3.08Š|
| 255 | P | 93.8 | Very high | 92 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 5% | 0.045 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 139.8 | -173 | 26.6 | -33.9 | 0 | 0 | 0 | 112.3 | Y252 F264 A293 L296 L297 | Y252-P255 HydrophobicContact CD1-CB 4.24Å; Y252-P255 HydrophobicContact CG-CB 4.36Å; P255-F264 CarbonylContact C-O 3.6Å; P255-F264 VanDerWaalsContact CA-O 3.29Å; P255-F264 WeakPolarHBondContact CA-O 3.45Å; P255-A293 HydrophobicContact CB-CB 3.99Å; P255-A293 HydrophobicContact CG-CB 4.19Å; P255-A293 WeakPolarHBondContact O-CB 3.24Å; P255-A293 PolarHBondContact O-N 3.42Å; P255-L296 HydrophobicContact CB-CB 4.24Å; P255-L296 HydrophobicContact CB-CD2 3.37Å; P255-L296 HydrophobicContact CB-CG 4.38Å; P255-L296 HydrophobicContact CG-CB 4.1Å; P255-L296 HydrophobicContact CG-CD2 4.04Å; P255-L297 HydrophobicContact CG-CD2 4.3Å; P255-L297 HydrophobicContact CG-CG 4.07Å |
| 256 | V | 93.8 | Very high | 92 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.9 | 176.4 | -84.7 | 0 | 0 | 0 | 0 | 110.7 | Y263 F264 A269 F290 K291 F292 | V256-Y263 WeakPolarHBondContact O-CA 3.35Å; V256-F264 HydrophobicContact CG2-CB 4.47Å; V256-F264 WeakPolarHBondContact CG2-O 3.42Å; V256-F264 PolarHBondContact N-O 3.46Å; V256-F264 PolarHBondContact O-N 3.06Å; V256-F264 VanDerWaalsContact O-N 3.08Å; V256-A269 HydrophobicContact CG2-CB 3.8Å; V256-F290 HydrophobicContact CB-CB 4.28Å; V256-F290 HydrophobicContact CG1-CB 4.29Å; V256-K291 CarbonylContact C-O 3.5Å; V256-K291 VanDerWaalsContact CA-O 3.25Å; V256-K291 WeakPolarHBondContact CA-O 3.3Å; V256-F292 HydrophobicContact CG1-CD1 4Å; V256-F292 HydrophobicContact CG1-CE1 4.27Å; V256-F292 HydrophobicContact CG1-CG 4.46Å |
| 257 | V | 92.7 | Very high | 92.3 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.5 | 175.4 | -162.3 | 0 | 0 | 0 | 0 | 109 | Y263 K291 A293 | V257-Y263 HydrophobicContact CB-CE1 4.38Å; V257-Y263 HydrophobicContact CG1-CE1 4.19Å; V257-Y263 HydrophobicContact CG2-CD1 3.76Å; V257-Y263 HydrophobicContact CG2-CE1 3.46Å; V257-Y263 VanDerWaalsContact CG2-CE1 3.46Å; V257-K291 PolarHBondContact N-O 3.32Å; V257-K291 PolarHBondContact O-N 3.2Å; V257-A293 HydrophobicContact CG2-CB 3.3Å |
| 258 | T | 92.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 167 | 169.5 | 56 | 0 | 0 | 0 | 0 | 111.6 | C260 K261 H262 F264 T286 F290 | T258-C260 PolarHBondContact O-N 2.95Å; T258-C260 VanDerWaalsContact O-N 3.17Å; T258-C260 PolarHBondContact OG1-SG 3Å; T258-K261 PolarHBondContact O-N 3.21Å; T258-H262 PolarHBondContact N-O 2.99Å; T258-H262 VanDerWaalsContact N-O 3.09Å; T258-H262 PolarHBondContact OG1-N 2.84Å; T258-H262 PolarHBondContact OG1-O 3.36Å; T258-F264 HydrophobicContact CG2-CD2 3.97Å; T258-F264 HydrophobicContact CG2-CE2 3.83Å; T258-T286 HydrophobicContact CG2-CG2 4.05Å; T258-F290 HydrophobicContact CG2-CD1 3.81Å; T258-F290 HydrophobicContact CG2-CE1 3.69Å |
| 259 | I | 91.8 | Very high | 92.5 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -40.2 | 173.2 | -57.6 | 173.7 | 0 | 0 | 0 | 111.4 | K261 T286 K287 F289 | I259-K261 PolarHBondContact O-N 3.07Å; I259-K261 VanDerWaalsContact O-N 3.17Å; I259-T286 WeakPolarHBondContact CD1-O 3.33Å; I259-K287 HydrophobicContact CD1-CB 4.37Å; I259-F289 HydrophobicContact CD1-CB 3.92Å; I259-F289 HydrophobicContact CG1-CB 3.94Å; I259-F289 HydrophobicContact CG1-CD1 4.03Å; I259-F289 HydrophobicContact CG1-CG 4.34Å |
| 260 | C | 90.7 | Very high | 92.7 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 21.6 | 177.5 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | T258 H262 C279 C282 T284 | T258-C260 PolarHBondContact O-N 2.95Å; T258-C260 VanDerWaalsContact O-N 3.17Å; T258-C260 PolarHBondContact OG1-SG 3Å; C260-H262 PolarHBondContact O-CE1 3.44Å; C260-H262 PolarHBondContact O-N 3.24Å; C260-H262 VanDerWaalsContact O-N 3.13Å; C260-H262 PolarHBondContact O-ND1 3.22Å; C260-H262 VanDerWaalsContact O-ND1 3.11Å; C260-H262 PolarHBondContact SG-ND1 3.43Å; C260-C279 PolarHBondContact SG-SG 3.09Å; C260-C282 VanDerWaalsContact CB-SG 3.54Å; C260-C282 PolarHBondContact SG-SG 3Å; C260-T284 WeakPolarHBondContact CB-OG1 3.43Å; C260-T284 PolarHBondContact SG-OG1 2.91Å |
| 261 | K | 89.3 | Confident | 92.8 | Very high | 118 Ų | 118 | 52.3 Ų | 52.3 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 57.9 | 24.9 | 175 | -58.4 | -176.2 | 176.3 | -174.7 | 0 | 115.6 | E233 T258 I259 | E233-K261 IonicContact OE2-NZ 2.69Å; E233-K261 PolarHBondContact OE2-NZ 3.29Å; T258-K261 PolarHBondContact O-N 3.21Å; I259-K261 PolarHBondContact O-N 3.07Å; I259-K261 VanDerWaalsContact O-N 3.17Å |
| 262 | H | 91.7 | Very high | 92.9 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | trans | -95 | 142.6 | 174 | -64.8 | 105.7 | 0 | 0 | 0 | 111.8 | M246 T258 C260 F264 A281 C282 | M246-H262 HydrophobicContact CE-CB 3.99Å; T258-H262 PolarHBondContact N-O 2.99Å; T258-H262 VanDerWaalsContact N-O 3.09Å; T258-H262 PolarHBondContact OG1-N 2.84Å; T258-H262 PolarHBondContact OG1-O 3.36Å; C260-H262 PolarHBondContact O-CE1 3.44Å; C260-H262 PolarHBondContact O-N 3.24Å; C260-H262 VanDerWaalsContact O-N 3.13Å; C260-H262 PolarHBondContact O-ND1 3.22Å; C260-H262 VanDerWaalsContact O-ND1 3.11Å; C260-H262 PolarHBondContact SG-ND1 3.43Å; H262-F264 HydrophobicContact CB-CE2 3.62Å; H262-F264 HydrophobicContact CB-CZ 3.83Å; H262-A281 HydrophobicContact CB-CB 4.34Å; H262-A281 WeakPolarHBondContact CD2-CB 3.42Å; H262-A281 WeakPolarHBondContact NE2-CB 3.29Å; H262-C282 VanDerWaalsContact CE1-CB 3.42Å; H262-C282 WeakPolarHBondContact CE1-CB 3.38Å; H262-C282 PolarHBondContact CE1-SG 2.84Å; H262-C282 PolarHBondContact ND1-SG 3.17Å | ||
| 263 | Y | 92.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 57.1 Ų | 57.1 | 18% | 0.18 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.5 | -177.2 | -58.2 | -81.4 | 0 | 0 | 0 | 112.4 | I241 Y252 V256 V257 A293 L296 | I241-Y263 HydrophobicContact CG1-CE2 4.28Å; Y252-Y263 WeakPolarHBondContact CE1-O 3.47Å; V256-Y263 WeakPolarHBondContact O-CA 3.35Å; V257-Y263 HydrophobicContact CB-CE1 4.38Å; V257-Y263 HydrophobicContact CG1-CE1 4.19Å; V257-Y263 HydrophobicContact CG2-CD1 3.76Å; V257-Y263 HydrophobicContact CG2-CE1 3.46Å; V257-Y263 VanDerWaalsContact CG2-CE1 3.46Å; Y263-A293 HydrophobicContact CD1-CB 4.07Å; Y263-A293 HydrophobicContact CE1-CB 4.15Å; Y263-L296 HydrophobicContact CD1-CB 4.35Å; Y263-L296 HydrophobicContact CD1-CD1 3.66Å; Y263-L296 HydrophobicContact CD1-CD2 3.62Å; Y263-L296 HydrophobicContact CD1-CG 4.06Å; Y263-L296 HydrophobicContact CD2-CD1 3.97Å; Y263-L296 HydrophobicContact CE1-CB 4.38Å; Y263-L296 HydrophobicContact CE1-CD1 3.7Å; Y263-L296 HydrophobicContact CE1-CD2 4.4Å; Y263-L296 HydrophobicContact CE1-CG 4.36Å; Y263-L296 HydrophobicContact CE2-CD1 4.05Å; Y263-L296 HydrophobicContact CG-CD1 3.79Å; Y263-L296 HydrophobicContact CG-CD2 3.79Å; Y263-L296 HydrophobicContact CG-CG 4.39Å |
| 264 | F | 93.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 165.2 | 176.2 | -55.1 | -75 | 0 | 0 | 0 | 111.5 | M246 I247 P255 V256 T258 H262 A269 Y280 | M246-F264 HydrophobicContact CB-CE1 4.11Å; M246-F264 HydrophobicContact CE-CD1 4.36Å; M246-F264 HydrophobicContact CE-CE1 3.52Å; M246-F264 HydrophobicContact CE-CZ 3.63Å; I247-F264 HydrophobicContact CD1-CB 4.38Å; I247-F264 HydrophobicContact CD1-CD1 3.44Å; I247-F264 VanDerWaalsContact CD1-CD1 3.44Å; I247-F264 HydrophobicContact CD1-CE1 3.9Å; I247-F264 HydrophobicContact CD1-CG 4.01Å; I247-F264 HydrophobicContact CG1-CD1 3.71Å; I247-F264 HydrophobicContact CG1-CE1 3.95Å; P255-F264 CarbonylContact C-O 3.6Å; P255-F264 VanDerWaalsContact CA-O 3.29Å; P255-F264 WeakPolarHBondContact CA-O 3.45Å; V256-F264 HydrophobicContact CG2-CB 4.47Å; V256-F264 WeakPolarHBondContact CG2-O 3.42Å; V256-F264 PolarHBondContact N-O 3.46Å; V256-F264 PolarHBondContact O-N 3.06Å; V256-F264 VanDerWaalsContact O-N 3.08Å; T258-F264 HydrophobicContact CG2-CD2 3.97Å; T258-F264 HydrophobicContact CG2-CE2 3.83Å; H262-F264 HydrophobicContact CB-CE2 3.62Å; H262-F264 HydrophobicContact CB-CZ 3.83Å; F264-A269 HydrophobicContact CB-CB 4.26Å; F264-Y280 HydrophobicContact CE1-CD1 4.25Å; F264-Y280 HydrophobicContact CE1-CG 4.4Å |
| 265 | C | 94.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 148.5 | 164.1 | -53 | 0 | 0 | 0 | 0 | 110.3 | C245 K253 D267 C268 A269 | C245-C265 VanDerWaalsContact CB-SG 3.52Å; C245-C265 PolarHBondContact SG-N 3.05Å; C245-C265 VanDerWaalsContact SG-SG 3.65Å; K253-C265 PolarHBondContact N-SG 3.45Å; K253-C265 VanDerWaalsContact N-SG 3.4Å; K253-C265 VanDerWaalsContact O-CA 3.27Å; K253-C265 WeakPolarHBondContact O-CA 3.38Å; K253-C265 VanDerWaalsContact O-CB 3.24Å; K253-C265 WeakPolarHBondContact O-CB 3.41Å; C265-D267 VanDerWaalsContact C-N 3.35Å; C265-D267 PolarHBondContact O-N 3.48Å; C265-C268 HydrophobicContact CB-CB 4.04Å; C265-C268 PolarHBondContact O-N 3.4Å; C265-C268 VanDerWaalsContact O-N 3.1Å; C265-A269 PolarHBondContact O-N 3.17Å |
| 266 | S | 93.2 | Very high | 93.2 | Very high | 20 Ų | 20 | 64.5 Ų | 64.5 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -49.2 | -53 | 175.8 | 59 | 0 | 0 | 0 | 0 | 112.2 | K253 D254 C268 A269 L270 | K253-S266 PolarHBondContact O-N 3.39Å; D254-S266 PolarHBondContact O-N 3.08Å; S266-C268 VanDerWaalsContact C-N 3.33Å; S266-C268 PolarHBondContact O-N 3.28Å; S266-A269 PolarHBondContact O-N 3.37Å; S266-L270 WeakPolarHBondContact O-CG 3.47Å; S266-L270 PolarHBondContact O-N 3.43Å |
| 267 | D | 95.2 | Very high | 93 | Very high | 98 Ų | 98 | 66.4 Ų | 66.4 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 179.4 | -66.3 | -30 | 0 | 0 | 0 | 112.3 | C265 L270 Q271 | C265-D267 VanDerWaalsContact C-N 3.35Å; C265-D267 PolarHBondContact O-N 3.48Å; D267-L270 PolarHBondContact O-N 2.94Å; D267-Q271 WeakPolarHBondContact O-CB 3.37Å; D267-Q271 VanDerWaalsContact O-CG 3.23Å; D267-Q271 WeakPolarHBondContact O-CG 3.14Å; D267-Q271 PolarHBondContact O-N 3.09Å |
| 268 | C | 94.8 | Very high | 93.1 | Very high | 12 Ų | 12 | 71.9 Ų | 71.9 | 8% | 0.081 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.4 | -41.1 | -179 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | I247 C265 S266 R272 | I247-C268 HydrophobicContact CB-CB 3.87Å; I247-C268 HydrophobicContact CD1-CB 3.79Å; I247-C268 HydrophobicContact CG1-CB 4.41Å; I247-C268 HydrophobicContact CG2-CB 3.88Å; C265-C268 HydrophobicContact CB-CB 4.04Å; C265-C268 PolarHBondContact O-N 3.4Å; C265-C268 VanDerWaalsContact O-N 3.1Å; S266-C268 VanDerWaalsContact C-N 3.33Å; S266-C268 PolarHBondContact O-N 3.28Å; C268-R272 WeakPolarHBondContact O-CB 3.15Å; C268-R272 PolarHBondContact O-N 3.02Å |
| 269 | A | 94 | Very high | 93.1 | Very high | 5 Ų | 5 | 71.9 Ų | 71.9 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | V256 F264 C265 S266 R272 Y273 F290 | V256-A269 HydrophobicContact CG2-CB 3.8Å; F264-A269 HydrophobicContact CB-CB 4.26Å; C265-A269 PolarHBondContact O-N 3.17Å; S266-A269 PolarHBondContact O-N 3.37Å; A269-R272 PolarHBondContact O-N 2.97Å; A269-Y273 WeakPolarHBondContact O-CB 3.26Å; A269-Y273 PolarHBondContact O-N 3.16Å; A269-F290 HydrophobicContact CB-CD1 3.96Å; A269-F290 HydrophobicContact CB-CE1 3.85Å; A269-F290 HydrophobicContact CB-CZ 4.38Å |
| 270 | L | 93.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 72 Ų | 72 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 178.5 | -68.1 | 173.9 | 0 | 0 | 0 | 112.6 | S266 D267 R272 Y273 K274 | S266-L270 WeakPolarHBondContact O-CG 3.47Å; S266-L270 PolarHBondContact O-N 3.43Å; D267-L270 PolarHBondContact O-N 2.94Å; L270-R272 VanDerWaalsContact C-N 3.28Å; L270-R272 PolarHBondContact O-N 3.07Å; L270-Y273 PolarHBondContact O-N 3.24Å; L270-K274 WeakPolarHBondContact O-CG 3.36Å; L270-K274 PolarHBondContact O-N 3.4Å |
| 271 | Q | 94 | Very high | 93.2 | Very high | 123 Ų | 123 | 72.6 Ų | 72.6 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.8 | -37.8 | 176 | -76.5 | 178.2 | 2.1 | 0 | 0 | 112 | D267 | D267-Q271 WeakPolarHBondContact O-CB 3.37Å; D267-Q271 VanDerWaalsContact O-CG 3.23Å; D267-Q271 WeakPolarHBondContact O-CG 3.14Å; D267-Q271 PolarHBondContact O-N 3.09Å |
| 272 | R | 93.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 69.1 Ų | 69.1 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.8 | -44.5 | 176.8 | -173.5 | 64.2 | -179 | -162.8 | 1 | 111.2 | I247 C268 A269 L270 K274 K275 T276 | I247-R272 HydrophobicContact CD1-CB 4.18Å; C268-R272 WeakPolarHBondContact O-CB 3.15Å; C268-R272 PolarHBondContact O-N 3.02Å; A269-R272 PolarHBondContact O-N 2.97Å; L270-R272 VanDerWaalsContact C-N 3.28Å; L270-R272 PolarHBondContact O-N 3.07Å; R272-K274 VanDerWaalsContact C-N 3.26Å; R272-K274 PolarHBondContact O-N 3.44Å; R272-K275 CarbonylContact O-C 3.59Å; R272-K275 WeakPolarHBondContact O-CA 3.46Å; R272-K275 WeakPolarHBondContact O-CB 3.37Å; R272-K275 PolarHBondContact O-N 3.02Å; R272-T276 CarbonylContact C-O 3.6Å; R272-T276 PolarHBondContact NE-OG1 3.2Å; R272-T276 VanDerWaalsContact NE-OG1 3.1Å; R272-T276 PolarHBondContact O-N 3.5Å |
| 273 | Y | 94 | Very high | 93.2 | Very high | 102 Ų | 102 | 71.4 Ų | 71.4 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.2 | -39.1 | 178.9 | -174.3 | -104.5 | 0 | 0 | 0 | 112.2 | A269 L270 K275 T276 A277 F290 | A269-Y273 WeakPolarHBondContact O-CB 3.26Å; A269-Y273 PolarHBondContact O-N 3.16Å; L270-Y273 PolarHBondContact O-N 3.24Å; Y273-K275 PolarHBondContact O-N 2.7Å; Y273-T276 WeakPolarHBondContact CA-O 3.25Å; Y273-T276 CarbonylContact O-C 3.52Å; Y273-T276 PolarHBondContact O-N 3.25Å; Y273-A277 HydrophobicContact CD2-CB 4.39Å; Y273-A277 HydrophobicContact CE2-CB 4.01Å; Y273-F290 HydrophobicContact CD2-CE2 4.18Å; Y273-F290 HydrophobicContact CD2-CZ 4.24Å; Y273-F290 HydrophobicContact CG-CE2 4.25Å; Y273-F290 HydrophobicContact CG-CZ 4.47Å |
| 274 | K | 93.5 | Very high | 93.2 | Very high | 185 Ų | 185 | 72.2 Ų | 72.2 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.3 | -31 | 172.4 | -73.3 | 178.2 | -178.5 | -176.1 | 0 | 113.6 | L270 R272 | L270-K274 WeakPolarHBondContact O-CG 3.36Å; L270-K274 PolarHBondContact O-N 3.4Å; R272-K274 VanDerWaalsContact C-N 3.26Å; R272-K274 PolarHBondContact O-N 3.44Å |
| 275 | K | 93.1 | Very high | 93.1 | Very high | 174 Ų | 174 | 76.5 Ų | 76.5 | 76% | 0.757 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -87.9 | -44.7 | 178 | -66.2 | -177.1 | 179.3 | -175.1 | 0 | 112 | R272 Y273 | R272-K275 CarbonylContact O-C 3.59Å; R272-K275 WeakPolarHBondContact O-CA 3.46Å; R272-K275 WeakPolarHBondContact O-CB 3.37Å; R272-K275 PolarHBondContact O-N 3.02Å; Y273-K275 PolarHBondContact O-N 2.7Å |
| 276 | T | 93.7 | Very high | 92.8 | Very high | 55 Ų | 55 | 76.4 Ų | 76.4 | 34% | 0.337 | 38% | 0.383 | S | S | . | . | trans | -151 | 132.3 | -175.7 | 58.2 | 0 | 0 | 0 | 0 | 109.4 | R272 Y273 R278 | R272-T276 CarbonylContact C-O 3.6Å; R272-T276 PolarHBondContact NE-OG1 3.2Å; R272-T276 VanDerWaalsContact NE-OG1 3.1Å; R272-T276 PolarHBondContact O-N 3.5Å; Y273-T276 WeakPolarHBondContact CA-O 3.25Å; Y273-T276 CarbonylContact O-C 3.52Å; Y273-T276 PolarHBondContact O-N 3.25Å; T276-R278 PolarHBondContact O-N 3.46Å | ||
| 277 | A | 91.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 84 Ų | 84 | 39% | 0.388 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -68.9 | -2.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y273 T286 | Y273-A277 HydrophobicContact CD2-CB 4.39Å; Y273-A277 HydrophobicContact CE2-CB 4.01Å; A277-T286 PolarHBondContact O-N 3.1Å; A277-T286 PolarHBondContact O-OG1 3.16Å |
| 278 | R | 92.9 | Very high | 92.3 | Very high | 146 Ų | 146 | 80.9 Ų | 80.9 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | B | Isolated β-bridge | trans | -88.6 | 147.3 | -177.6 | -70.5 | 178.7 | -175.2 | 173.4 | 3.4 | 113.2 | T276 T283 T284 D285 | T276-R278 PolarHBondContact O-N 3.46Å; R278-T283 WeakPolarHBondContact CB-O 3.4Å; R278-T283 WeakPolarHBondContact CD-O 3.49Å; R278-T283 WeakPolarHBondContact CG-O 3.43Å; R278-T284 CarbonylContact C-O 3.55Å; R278-T284 WeakPolarHBondContact CA-O 3.19Å; R278-D285 WeakPolarHBondContact CG-OD1 3.32Å; R278-D285 IonicContact NE-OD1 3.5Å |
| 279 | C | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 86.5 Ų | 86.5 | 3% | 0.027 | 43% | 0.428 | C | S | . | . | trans | -63.1 | 146.8 | 173.6 | -175 | 0 | 0 | 0 | 0 | 111 | C260 T283 T284 T286 | C260-C279 PolarHBondContact SG-SG 3.09Å; C279-T283 VanDerWaalsContact O-CA 3.3Å; C279-T283 WeakPolarHBondContact O-CA 3.45Å; C279-T283 PolarHBondContact O-N 3.19Å; C279-T284 WeakPolarHBondContact CB-O 3.37Å; C279-T284 PolarHBondContact N-O 3.34Å; C279-T286 HydrophobicContact CB-CG2 3.88Å | ||
| 280 | Y | 92.5 | Very high | 92.1 | Very high | 99 Ų | 99 | 88.6 Ų | 88.6 | 39% | 0.388 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -31.2 | 179.2 | -176.7 | -102.2 | 0 | 0 | 0 | 113.4 | M246 I247 F264 | M246-Y280 HydrophobicContact CB-CD1 3.83Å; M246-Y280 HydrophobicContact CB-CE1 3.98Å; M246-Y280 VanDerWaalsContact O-CE1 3.24Å; M246-Y280 WeakPolarHBondContact O-CE1 3.31Å; I247-Y280 HydrophobicContact CG1-CD1 4Å; I247-Y280 HydrophobicContact CG1-CD2 4.25Å; I247-Y280 HydrophobicContact CG1-CG 3.83Å; F264-Y280 HydrophobicContact CE1-CD1 4.25Å; F264-Y280 HydrophobicContact CE1-CG 4.4Å |
| 281 | A | 91.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 91 Ų | 91 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -52.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M246 H262 | M246-A281 HydrophobicContact CE-CB 3.61Å; M246-A281 HydrophobicContact SD-CB 3.88Å; H262-A281 HydrophobicContact CB-CB 4.34Å; H262-A281 WeakPolarHBondContact CD2-CB 3.42Å; H262-A281 WeakPolarHBondContact NE2-CB 3.29Å |
| 282 | C | 91.4 | Very high | 92 | Very high | 46 Ų | 46 | 91.8 Ų | 91.8 | 31% | 0.311 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 4.3 | -174.7 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | C260 H262 T284 | C260-C282 VanDerWaalsContact CB-SG 3.54Å; C260-C282 PolarHBondContact SG-SG 3Å; H262-C282 VanDerWaalsContact CE1-CB 3.42Å; H262-C282 WeakPolarHBondContact CE1-CB 3.38Å; H262-C282 PolarHBondContact CE1-SG 2.84Å; H262-C282 PolarHBondContact ND1-SG 3.17Å; C282-T284 HydrophobicContact CB-CG2 4.29Å; C282-T284 PolarHBondContact O-N 3.43Å; C282-T284 PolarHBondContact SG-OG1 3.35Å |
| 283 | T | 90.5 | Very high | 91.8 | Very high | 98 Ų | 98 | 88 Ų | 88 | 60% | 0.601 | 43% | 0.432 | S | S | * | . | trans | 56.8 | 8.8 | -179.4 | 67.4 | 0 | 0 | 0 | 0 | 117 | R278 C279 | R278-T283 WeakPolarHBondContact CB-O 3.4Å; R278-T283 WeakPolarHBondContact CD-O 3.49Å; R278-T283 WeakPolarHBondContact CG-O 3.43Å; C279-T283 VanDerWaalsContact O-CA 3.3Å; C279-T283 WeakPolarHBondContact O-CA 3.45Å; C279-T283 PolarHBondContact O-N 3.19Å | ||
| 284 | T | 92.4 | Very high | 91.4 | Very high | 63 Ų | 63 | 91.8 Ų | 91.8 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | trans | -67 | 144.6 | 173.8 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | C260 R278 C279 C282 T286 | C260-T284 WeakPolarHBondContact CB-OG1 3.43Å; C260-T284 PolarHBondContact SG-OG1 2.91Å; R278-T284 CarbonylContact C-O 3.55Å; R278-T284 WeakPolarHBondContact CA-O 3.19Å; C279-T284 WeakPolarHBondContact CB-O 3.37Å; C279-T284 PolarHBondContact N-O 3.34Å; C282-T284 HydrophobicContact CB-CG2 4.29Å; C282-T284 PolarHBondContact O-N 3.43Å; C282-T284 PolarHBondContact SG-OG1 3.35Å; T284-T286 PolarHBondContact O-N 3.06Å | ||
| 285 | D | 92.4 | Very high | 90.7 | Very high | 94 Ų | 94 | 88 Ų | 88 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 119.9 | 175.2 | -65.5 | -37.9 | 0 | 0 | 0 | 111.1 | R278 K287 | R278-D285 WeakPolarHBondContact CG-OD1 3.32Å; R278-D285 IonicContact NE-OD1 3.5Å; D285-K287 VanDerWaalsContact C-N 3.27Å; D285-K287 PolarHBondContact O-N 3.2Å |
| 286 | T | 88.7 | Confident | 90.3 | Very high | 4 Ų | 4 | 79.8 Ų | 79.8 | 3% | 0.025 | 40% | 0.404 | C | S | . | . | trans | -78.5 | -11.6 | -175.9 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | T258 I259 A277 C279 T284 G288 F289 F290 | T258-T286 HydrophobicContact CG2-CG2 4.05Å; I259-T286 WeakPolarHBondContact CD1-O 3.33Å; A277-T286 PolarHBondContact O-N 3.1Å; A277-T286 PolarHBondContact O-OG1 3.16Å; C279-T286 HydrophobicContact CB-CG2 3.88Å; T284-T286 PolarHBondContact O-N 3.06Å; T286-G288 PolarHBondContact O-N 2.77Å; T286-F289 PolarHBondContact O-N 3.05Å; T286-F290 HydrophobicContact CG2-CE1 4.38Å; T286-F290 HydrophobicContact CG2-CZ 4.5Å | ||
| 287 | K | 89.1 | Confident | 89.9 | Confident | 179 Ų | 179 | 81.1 Ų | 81.1 | 78% | 0.778 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 19.4 | -176.1 | -57.7 | -177.7 | -179.2 | 179.9 | 0 | 114.4 | I259 D285 F289 | I259-K287 HydrophobicContact CD1-CB 4.37Å; D285-K287 VanDerWaalsContact C-N 3.27Å; D285-K287 PolarHBondContact O-N 3.2Å; K287-F289 VanDerWaalsContact C-N 3.27Å; K287-F289 PolarHBondContact O-N 3.07Å |
| 288 | G | 87.9 | Confident | 89.6 | Confident | 34 Ų | 34 | 82.3 Ų | 82.3 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 9.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T286 | T286-G288 PolarHBondContact O-N 2.77Š|
| 289 | F | 91.5 | Very high | 89 | Confident | 129 Ų | 129 | 78.3 Ų | 78.3 | 57% | 0.566 | 40% | 0.399 | S | S | * | . | trans | -92.6 | 111.6 | -178 | -164.2 | -93.6 | 0 | 0 | 0 | 111.3 | I259 T286 K287 | I259-F289 HydrophobicContact CD1-CB 3.92Å; I259-F289 HydrophobicContact CG1-CB 3.94Å; I259-F289 HydrophobicContact CG1-CD1 4.03Å; I259-F289 HydrophobicContact CG1-CG 4.34Å; T286-F289 PolarHBondContact O-N 3.05Å; K287-F289 VanDerWaalsContact C-N 3.27Å; K287-F289 PolarHBondContact O-N 3.07Å | ||
| 290 | F | 92.7 | Very high | 88.7 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 22% | 0.219 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 117.1 | 177.6 | -58.2 | -78.6 | 0 | 0 | 0 | 109.7 | V256 T258 A269 Y273 T286 | V256-F290 HydrophobicContact CB-CB 4.28Å; V256-F290 HydrophobicContact CG1-CB 4.29Å; T258-F290 HydrophobicContact CG2-CD1 3.81Å; T258-F290 HydrophobicContact CG2-CE1 3.69Å; A269-F290 HydrophobicContact CB-CD1 3.96Å; A269-F290 HydrophobicContact CB-CE1 3.85Å; A269-F290 HydrophobicContact CB-CZ 4.38Å; Y273-F290 HydrophobicContact CD2-CE2 4.18Å; Y273-F290 HydrophobicContact CD2-CZ 4.24Å; Y273-F290 HydrophobicContact CG-CE2 4.25Å; Y273-F290 HydrophobicContact CG-CZ 4.47Å; T286-F290 HydrophobicContact CG2-CE1 4.38Å; T286-F290 HydrophobicContact CG2-CZ 4.5Å |
| 291 | K | 93.4 | Very high | 88.3 | Confident | 145 Ų | 145 | 77.9 Ų | 77.9 | 63% | 0.63 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.5 | 178.6 | -175.2 | 178.4 | 179.3 | -178.6 | 0 | 110.1 | V256 V257 A293 | V256-K291 CarbonylContact C-O 3.5Å; V256-K291 VanDerWaalsContact CA-O 3.25Å; V256-K291 WeakPolarHBondContact CA-O 3.3Å; V257-K291 PolarHBondContact N-O 3.32Å; V257-K291 PolarHBondContact O-N 3.2Å; K291-A293 PolarHBondContact O-N 2.69Å |
| 292 | F | 93.4 | Very high | 87.9 | Confident | 140 Ų | 140 | 80.2 Ų | 80.2 | 61% | 0.614 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 126.9 | 174.1 | -72.8 | -76.3 | 0 | 0 | 0 | 111.8 | V256 K294 | V256-F292 HydrophobicContact CG1-CD1 4Å; V256-F292 HydrophobicContact CG1-CE1 4.27Å; V256-F292 HydrophobicContact CG1-CG 4.46Å; F292-K294 PolarHBondContact O-N 3.22Å |
| 293 | A | 88.5 | Confident | 87.5 | Confident | 9 Ų | 9 | 79.3 Ų | 79.3 | 7% | 0.074 | 40% | 0.399 | C | S | . | . | trans | -92.2 | 67.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P255 V257 Y263 K291 N295 L296 | P255-A293 HydrophobicContact CB-CB 3.99Å; P255-A293 HydrophobicContact CG-CB 4.19Å; P255-A293 WeakPolarHBondContact O-CB 3.24Å; P255-A293 PolarHBondContact O-N 3.42Å; V257-A293 HydrophobicContact CG2-CB 3.3Å; Y263-A293 HydrophobicContact CD1-CB 4.07Å; Y263-A293 HydrophobicContact CE1-CB 4.15Å; K291-A293 PolarHBondContact O-N 2.69Å; A293-N295 PolarHBondContact O-N 3.02Å; A293-N295 VanDerWaalsContact O-N 3.07Å; A293-L296 HydrophobicContact CB-CB 3.9Å; A293-L296 WeakPolarHBondContact O-CB 3.24Å; A293-L296 PolarHBondContact O-N 3.41Å | ||
| 294 | K | 84.6 | Confident | 87.2 | Confident | 182 Ų | 182 | 78.6 Ų | 78.6 | 79% | 0.791 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -54.5 | -31.6 | -177.8 | -63.8 | -176.3 | 179.9 | -178.1 | 0 | 113.2 | F292 | F292-K294 PolarHBondContact O-N 3.22Å |
| 295 | N | 80.7 | Confident | 86.7 | Confident | 105 Ų | 105 | 81.4 Ų | 81.4 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -84.2 | -12.4 | -175.9 | -58.3 | -12.4 | 0 | 0 | 0 | 113.5 | A293 R299 | A293-N295 PolarHBondContact O-N 3.02Å; A293-N295 VanDerWaalsContact O-N 3.07Å; N295-R299 WeakPolarHBondContact O-CG 3.27Å; N295-R299 PolarHBondContact O-N 2.78Å |
| 296 | L | 83.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | -173.4 | -173.9 | 70.1 | 0 | 0 | 0 | 112.1 | I241 Y252 P255 Y263 A293 S298 R299 I300 | I241-L296 HydrophobicContact CG2-CD1 3.56Å; Y252-L296 HydrophobicContact CD1-CD2 4.1Å; Y252-L296 HydrophobicContact CD2-CD2 4.07Å; Y252-L296 HydrophobicContact CE1-CD2 4.22Å; Y252-L296 HydrophobicContact CE2-CD2 4.18Å; Y252-L296 HydrophobicContact CG-CD2 4Å; P255-L296 HydrophobicContact CB-CB 4.24Å; P255-L296 HydrophobicContact CB-CD2 3.37Å; P255-L296 HydrophobicContact CB-CG 4.38Å; P255-L296 HydrophobicContact CG-CB 4.1Å; P255-L296 HydrophobicContact CG-CD2 4.04Å; Y263-L296 HydrophobicContact CD1-CB 4.35Å; Y263-L296 HydrophobicContact CD1-CD1 3.66Å; Y263-L296 HydrophobicContact CD1-CD2 3.62Å; Y263-L296 HydrophobicContact CD1-CG 4.06Å; Y263-L296 HydrophobicContact CD2-CD1 3.97Å; Y263-L296 HydrophobicContact CE1-CB 4.38Å; Y263-L296 HydrophobicContact CE1-CD1 3.7Å; Y263-L296 HydrophobicContact CE1-CD2 4.4Å; Y263-L296 HydrophobicContact CE1-CG 4.36Å; Y263-L296 HydrophobicContact CE2-CD1 4.05Å; Y263-L296 HydrophobicContact CG-CD1 3.79Å; Y263-L296 HydrophobicContact CG-CD2 3.79Å; Y263-L296 HydrophobicContact CG-CG 4.39Å; A293-L296 HydrophobicContact CB-CB 3.9Å; A293-L296 WeakPolarHBondContact O-CB 3.24Å; A293-L296 PolarHBondContact O-N 3.41Å; L296-S298 VanDerWaalsContact C-N 3.34Å; L296-S298 PolarHBondContact O-N 3.23Å; L296-R299 PolarHBondContact O-N 3.17Å; L296-I300 HydrophobicContact CD1-CD1 4.26Å; L296-I300 HydrophobicContact CD1-CG1 4.44Å; L296-I300 HydrophobicContact CD2-CD1 4.06Å; L296-I300 HydrophobicContact CG-CD1 3.75Å; L296-I300 HydrophobicContact CG-CG1 4.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.47Å; L296-I300 PolarHBondContact O-N 3.09Å |
| 297 | L | 84.6 | Confident | 85.4 | Confident | 83 Ų | 83 | 88.6 Ų | 88.6 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | -178 | -65.7 | 173.9 | 0 | 0 | 0 | 111.4 | P255 R299 I300 N301 | P255-L297 HydrophobicContact CG-CD2 4.3Å; P255-L297 HydrophobicContact CG-CG 4.07Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-R299 PolarHBondContact O-N 2.92Å; L297-I300 PolarHBondContact O-N 3.03Å; L297-N301 VanDerWaalsContact O-CG 3.3Å; L297-N301 PolarHBondContact O-N 3.17Å |
| 298 | S | 84.6 | Confident | 84.8 | Confident | 72 Ų | 72 | 86.6 Ų | 86.6 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.7 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | L296 N301 M302 | L296-S298 VanDerWaalsContact C-N 3.34Å; L296-S298 PolarHBondContact O-N 3.23Å; S298-N301 PolarHBondContact O-N 3.35Å; S298-M302 PolarHBondContact O-N 2.79Å |
| 299 | R | 82.3 | Confident | 83.6 | Confident | 63 Ų | 63 | 92 Ų | 92 | 24% | 0.238 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.9 | -71.3 | 176.2 | -177.9 | -176.4 | -2.5 | 112.3 | I241 N295 L296 L297 N301 M302 L303 | I241-R299 HydrophobicContact CD1-CB 4.4Å; N295-R299 WeakPolarHBondContact O-CG 3.27Å; N295-R299 PolarHBondContact O-N 2.78Å; L296-R299 PolarHBondContact O-N 3.17Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-R299 PolarHBondContact O-N 2.92Å; R299-N301 VanDerWaalsContact C-N 3.35Å; R299-N301 PolarHBondContact O-N 3.11Å; R299-M302 PolarHBondContact O-N 2.78Å; R299-L303 WeakPolarHBondContact O-CG 3.45Å; R299-L303 PolarHBondContact O-N 3.3Å; R299-L303 VanDerWaalsContact O-N 3.08Å |
| 300 | I | 85.8 | Confident | 82 | Confident | 6 Ų | 6 | 88.6 Ų | 88.6 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.5 | -69.8 | 171.5 | 0 | 0 | 0 | 111.2 | I241 L243 Y252 L296 L297 L303 R304 | I241-I300 HydrophobicContact CG2-CG1 4.45Å; L243-I300 HydrophobicContact CD2-CG2 4.09Å; Y252-I300 HydrophobicContact CD2-CD1 3.36Å; Y252-I300 HydrophobicContact CE2-CD1 3.66Å; Y252-I300 HydrophobicContact CG-CD1 4.38Å; L296-I300 HydrophobicContact CD1-CD1 4.26Å; L296-I300 HydrophobicContact CD1-CG1 4.44Å; L296-I300 HydrophobicContact CD2-CD1 4.06Å; L296-I300 HydrophobicContact CG-CD1 3.75Å; L296-I300 HydrophobicContact CG-CG1 4.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.47Å; L296-I300 PolarHBondContact O-N 3.09Å; L297-I300 PolarHBondContact O-N 3.03Å; I300-L303 PolarHBondContact O-N 3.09Å; I300-R304 HydrophobicContact CG2-CG 4.4Å; I300-R304 WeakPolarHBondContact O-CG 3.32Å; I300-R304 PolarHBondContact O-N 3.21Å |
| 301 | N | 85.4 | Confident | 80.3 | Confident | 88 Ų | 88 | 92.3 Ų | 92.3 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.2 | -71.6 | -11.7 | 0 | 0 | 0 | 111.4 | L297 S298 R299 L303 R304 E305 | L297-N301 VanDerWaalsContact O-CG 3.3Å; L297-N301 PolarHBondContact O-N 3.17Å; S298-N301 PolarHBondContact O-N 3.35Å; R299-N301 VanDerWaalsContact C-N 3.35Å; R299-N301 PolarHBondContact O-N 3.11Å; N301-L303 VanDerWaalsContact C-N 3.32Å; N301-L303 PolarHBondContact O-N 3.21Å; N301-R304 PolarHBondContact O-N 3.13Å; N301-R304 VanDerWaalsContact O-N 3.16Å; N301-E305 WeakPolarHBondContact O-CG 3.5Å; N301-E305 PolarHBondContact O-N 3.33Å |
| 302 | M | 83.1 | Confident | 78.4 | Confident | 92 Ų | 92 | 90.7 Ų | 90.7 | 45% | 0.453 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 175.2 | -72.5 | -171.9 | -93.6 | 0 | 0 | 112.6 | S298 R299 E305 K306 | S298-M302 PolarHBondContact O-N 2.79Å; R299-M302 PolarHBondContact O-N 2.78Å; M302-E305 PolarHBondContact O-N 2.85Å; M302-K306 WeakPolarHBondContact O-CG 3.39Å; M302-K306 PolarHBondContact O-N 3.08Å |
| 303 | L | 81.5 | Confident | 76.4 | Confident | 28 Ų | 28 | 87 Ų | 87 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 176.8 | -71.8 | 170.4 | 0 | 0 | 0 | 112.6 | F238 I241 L243 R299 I300 N301 K307 | F238-L303 HydrophobicContact CD1-CD2 4.3Å; F238-L303 HydrophobicContact CE1-CD2 3.55Å; F238-L303 HydrophobicContact CE2-CD2 4.24Å; F238-L303 HydrophobicContact CZ-CD2 3.51Å; F238-L303 HydrophobicContact CZ-CG 4.12Å; I241-L303 HydrophobicContact CB-CD1 4.43Å; L243-L303 HydrophobicContact CD2-CB 4.16Å; R299-L303 WeakPolarHBondContact O-CG 3.45Å; R299-L303 PolarHBondContact O-N 3.3Å; R299-L303 VanDerWaalsContact O-N 3.08Å; I300-L303 PolarHBondContact O-N 3.09Å; N301-L303 VanDerWaalsContact C-N 3.32Å; N301-L303 PolarHBondContact O-N 3.21Å; L303-K307 PolarHBondContact O-N 3.15Å |
| 304 | R | 84 | Confident | 74.6 | Confident | 82 Ų | 82 | 91.4 Ų | 91.4 | 31% | 0.309 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 175 | -73.9 | 176.2 | 179.4 | -166.8 | -5.4 | 111.6 | L243 D251 I300 N301 K307 K308 | L243-R304 HydrophobicContact CD2-CG 4.32Å; D251-R304 IonicContact OD1-CZ 3.04Å; D251-R304 IonicContact OD1-NH2 3.6Å; D251-R304 PolarHBondContact OD1-NH2 2.98Å; D251-R304 IonicContact OD2-CZ 2.77Å; D251-R304 IonicContact OD2-NH1 3.8Å; D251-R304 PolarHBondContact OD2-NH1 3.33Å; D251-R304 VanDerWaalsContact OD2-NH1 3.1Å; D251-R304 IonicContact OD2-NH2 2.78Å; D251-R304 PolarHBondContact OD2-NH2 3.36Å; I300-R304 HydrophobicContact CG2-CG 4.4Å; I300-R304 WeakPolarHBondContact O-CG 3.32Å; I300-R304 PolarHBondContact O-N 3.21Å; N301-R304 PolarHBondContact O-N 3.13Å; N301-R304 VanDerWaalsContact O-N 3.16Å; R304-K307 PolarHBondContact O-N 2.78Å; R304-K308 WeakPolarHBondContact O-CG 3.23Å; R304-K308 PolarHBondContact O-N 3.34Å; R304-K308 VanDerWaalsContact O-N 3.09Å |
| 305 | E | 83.1 | Confident | 72.6 | Confident | 123 Ų | 123 | 85.3 Ų | 85.3 | 58% | 0.575 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66 | -44.1 | 176.7 | -73.1 | 172.6 | 178.1 | 0 | 0 | 112 | N301 M302 K307 K308 H309 | N301-E305 WeakPolarHBondContact O-CG 3.5Å; N301-E305 PolarHBondContact O-N 3.33Å; M302-E305 PolarHBondContact O-N 2.85Å; E305-K307 VanDerWaalsContact C-N 3.31Å; E305-K307 PolarHBondContact O-N 3.17Å; E305-K308 PolarHBondContact O-N 3.4Å; E305-H309 PolarHBondContact O-N 3.25Å |
| 306 | K | 79.4 | Confident | 71.1 | Confident | 129 Ų | 129 | 86.6 Ų | 86.6 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.9 | -41.7 | 174.8 | -75 | -178.2 | 177.9 | -172 | 0 | 112.3 | F238 M302 H309 S310 | F238-K306 HydrophobicContact CE1-CD 4.31Å; F238-K306 HydrophobicContact CZ-CD 4.23Å; M302-K306 WeakPolarHBondContact O-CG 3.39Å; M302-K306 PolarHBondContact O-N 3.08Å; K306-H309 PolarHBondContact O-N 2.91Å; K306-S310 PolarHBondContact O-N 3.33Å |
| 307 | K | 74.4 | Confident | 69.2 | Low | 119 Ų | 119 | 93.8 Ų | 93.8 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 176.3 | -75 | -172.3 | 176.5 | -168.2 | 0 | 112.9 | L243 L303 R304 E305 H309 S310 E311 | L243-K307 HydrophobicContact CD1-CD 4.44Å; L303-K307 PolarHBondContact O-N 3.15Å; R304-K307 PolarHBondContact O-N 2.78Å; E305-K307 VanDerWaalsContact C-N 3.31Å; E305-K307 PolarHBondContact O-N 3.17Å; K307-H309 VanDerWaalsContact C-N 3.33Å; K307-H309 PolarHBondContact O-N 3.25Å; K307-S310 WeakPolarHBondContact O-CB 3.06Å; K307-S310 PolarHBondContact O-N 3.36Å; K307-E311 WeakPolarHBondContact O-CG 3.36Å; K307-E311 PolarHBondContact O-N 3.03Å |
| 308 | K | 75.2 | Confident | 67.1 | Low | 137 Ų | 137 | 95.2 Ų | 95.2 | 60% | 0.596 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 176.1 | -72.8 | 179 | 178.9 | -175 | 0 | 112.2 | R304 E305 S310 E311 L312 | R304-K308 WeakPolarHBondContact O-CG 3.23Å; R304-K308 PolarHBondContact O-N 3.34Å; R304-K308 VanDerWaalsContact O-N 3.09Å; E305-K308 PolarHBondContact O-N 3.4Å; K308-S310 VanDerWaalsContact C-N 3.34Å; K308-E311 PolarHBondContact O-N 3.42Å; K308-L312 WeakPolarHBondContact O-CB 3.33Å; K308-L312 WeakPolarHBondContact O-CD1 3.34Å; K308-L312 PolarHBondContact O-N 3.02Å |
| 309 | H | 62.9 | Low | 64.9 | Low | 147 Ų | 147 | 99 Ų | 99 | 68% | 0.681 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.7 | -34.8 | 176 | -101.8 | -77.6 | 0 | 0 | 0 | 112.8 | E305 K306 K307 S313 | E305-H309 PolarHBondContact O-N 3.25Å; K306-H309 PolarHBondContact O-N 2.91Å; K307-H309 VanDerWaalsContact C-N 3.33Å; K307-H309 PolarHBondContact O-N 3.25Å; H309-S313 WeakPolarHBondContact O-CB 3.33Å; H309-S313 PolarHBondContact O-N 3.16Å; H309-S313 VanDerWaalsContact O-N 3.13Å; H309-S313 PolarHBondContact O-OG 2.93Å; H309-S313 VanDerWaalsContact O-OG 3.13Å |
| 310 | S | 58.4 | Low | 62.9 | Low | 59 Ų | 59 | 105.1 Ų | 105.1 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -50.4 | 172.3 | -169 | 0 | 0 | 0 | 0 | 111.3 | K306 K307 K308 L312 S313 E314 | K306-S310 PolarHBondContact O-N 3.33Å; K307-S310 WeakPolarHBondContact O-CB 3.06Å; K307-S310 PolarHBondContact O-N 3.36Å; K308-S310 VanDerWaalsContact C-N 3.34Å; S310-L312 PolarHBondContact O-N 3.47Å; S310-S313 PolarHBondContact O-N 3.3Å; S310-S313 PolarHBondContact O-OG 3Å; S310-E314 PolarHBondContact O-N 3.32Å; S310-E314 VanDerWaalsContact O-N 3.09Å |
| 311 | E | 57 | Low | 60.7 | Low | 127 Ų | 127 | 112.3 Ų | 112.3 | 59% | 0.593 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.7 | -37.4 | -177.9 | -71.1 | 172.1 | -178.6 | 0 | 0 | 112.7 | K307 K308 E314 S315 | K307-E311 WeakPolarHBondContact O-CG 3.36Å; K307-E311 PolarHBondContact O-N 3.03Å; K308-E311 PolarHBondContact O-N 3.42Å; E311-E314 PolarHBondContact O-N 3.43Å; E311-S315 PolarHBondContact O-N 3.1Å; E311-S315 PolarHBondContact O-OG 3.36Å |
| 312 | L | 54.2 | Low | 58.3 | Low | 111 Ų | 111 | 116.5 Ų | 116.5 | 58% | 0.581 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.6 | -31 | 174.7 | -96 | 128.1 | 0 | 0 | 0 | 113.2 | K308 S310 E314 S315 | K308-L312 WeakPolarHBondContact O-CB 3.33Å; K308-L312 WeakPolarHBondContact O-CD1 3.34Å; K308-L312 PolarHBondContact O-N 3.02Å; S310-L312 PolarHBondContact O-N 3.47Å; L312-E314 VanDerWaalsContact C-N 3.33Å; L312-S315 WeakPolarHBondContact CA-OG 3.38Å; L312-S315 PolarHBondContact O-OG 3.45Å; L312-S315 VanDerWaalsContact O-OG 3.06Å |
| 313 | S | 50.6 | Low | 56 | Low | 63 Ų | 63 | 117.5 Ų | 117.5 | 44% | 0.441 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77 | -21.3 | 175.7 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | H309 S310 | H309-S313 WeakPolarHBondContact O-CB 3.33Å; H309-S313 PolarHBondContact O-N 3.16Å; H309-S313 VanDerWaalsContact O-N 3.13Å; H309-S313 PolarHBondContact O-OG 2.93Å; H309-S313 VanDerWaalsContact O-OG 3.13Å; S310-S313 PolarHBondContact O-N 3.3Å; S310-S313 PolarHBondContact O-OG 3Å |
| 314 | E | 49.8 | Very low | 53.6 | Low | 102 Ų | 102 | 122.8 Ų | 122.8 | 48% | 0.477 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -84 | -36.2 | 173.4 | -76.2 | 174.5 | 150.3 | 0 | 0 | 111.6 | S310 E311 L312 D316 Q317 E318 | S310-E314 PolarHBondContact O-N 3.32Å; S310-E314 VanDerWaalsContact O-N 3.09Å; E311-E314 PolarHBondContact O-N 3.43Å; L312-E314 VanDerWaalsContact C-N 3.33Å; E314-D316 VanDerWaalsContact C-N 3.33Å; E314-D316 PolarHBondContact O-N 3.46Å; E314-Q317 PolarHBondContact O-N 3Å; E314-Q317 VanDerWaalsContact O-N 3.08Å; E314-E318 WeakPolarHBondContact O-CG 3.37Å; E314-E318 PolarHBondContact O-N 2.9Å; E314-E318 VanDerWaalsContact O-N 3.12Å |
| 315 | S | 44.5 | Very low | 51.2 | Low | 54 Ų | 54 | 123.4 Ų | 123.4 | 38% | 0.378 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.3 | -31.1 | 178 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | E311 L312 Q317 | E311-S315 PolarHBondContact O-N 3.1Å; E311-S315 PolarHBondContact O-OG 3.36Å; L312-S315 WeakPolarHBondContact CA-OG 3.38Å; L312-S315 PolarHBondContact O-OG 3.45Å; L312-S315 VanDerWaalsContact O-OG 3.06Å; S315-Q317 PolarHBondContact O-N 2.96Å |
| 316 | D | 47.8 | Very low | 49.1 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.7 | -6.7 | 176.1 | -72.1 | -19.8 | 0 | 0 | 0 | 113.2 | E314 | E314-D316 VanDerWaalsContact C-N 3.33Å; E314-D316 PolarHBondContact O-N 3.46Å |
| 317 | Q | 44.1 | Very low | 47.2 | Very low | 154 Ų | 154 | 125 Ų | 125 | 72% | 0.72 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -108.4 | -14.5 | 175.8 | -64.3 | -173.7 | 21.2 | 0 | 0 | 113.2 | E314 S315 | E314-Q317 PolarHBondContact O-N 3Å; E314-Q317 VanDerWaalsContact O-N 3.08Å; S315-Q317 PolarHBondContact O-N 2.96Å |
| 318 | E | 40.1 | Very low | 45.3 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 52% | 0.523 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -87.6 | -16.3 | -178.7 | -74 | -177.1 | 173.1 | 0 | 0 | 114.2 | E314 Q320 H321 | E314-E318 WeakPolarHBondContact O-CG 3.37Å; E314-E318 PolarHBondContact O-N 2.9Å; E314-E318 VanDerWaalsContact O-N 3.12Å; E318-Q320 PolarHBondContact O-N 3.41Å; E318-Q320 VanDerWaalsContact O-N 3.08Å; E318-H321 PolarHBondContact O-N 2.76Å |
| 319 | D | 39.3 | Very low | 43.6 | Very low | 151 Ų | 151 | 125.4 Ų | 125.4 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 4.6 | 173.4 | -79.2 | -23.4 | 0 | 0 | 0 | 114.3 | ||
| 320 | Q | 40.5 | Very low | 42.2 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 90% | 0.897 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 7.8 | 165.4 | -69.4 | -178 | 36.7 | 0 | 0 | 113.5 | E318 | E318-Q320 PolarHBondContact O-N 3.41Å; E318-Q320 VanDerWaalsContact O-N 3.08Å |
| 321 | H | 40.1 | Very low | 41.1 | Very low | 157 Ų | 157 | 130 Ų | 130 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -136.6 | 37.9 | -172.9 | -147 | -95.6 | 0 | 0 | 0 | 114.7 | E318 | E318-H321 PolarHBondContact O-N 2.76Š|
| 322 | H | 34.9 | Very low | 40.1 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 82% | 0.819 | 73% | 0.725 | S | S | * | * | trans | -135.2 | 80.9 | 169.4 | -92.5 | -5.3 | 0 | 0 | 0 | 113 | ||||
| 323 | S | 33.2 | Very low | 39.4 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -153.1 | 86.5 | 153.7 | 72.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 324 | C | 32.9 | Very low | 38.8 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 93% | 0.932 | 76% | 0.755 | S | S | * | * | trans | 163.3 | 85.9 | 142.1 | -96 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 325 | S | 32.6 | Very low | 38.4 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -126.9 | 153.7 | 154.3 | 41.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 326 | H | 39 | Very low | 38.1 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 86.6 | 117.7 | -169.9 | -47.3 | -66.2 | 0 | 0 | 0 | 113.1 | ||||
| 327 | S | 38.8 | Very low | 37.8 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -154.6 | 155 | 44.7 | -53.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 328 | P | 36.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -78.9 | 133.6 | 173.1 | 9.4 | 7.8 | 0 | 0 | 0 | 110.6 | ||||
| 329 | V | 38.2 | Very low | 37.8 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -100.6 | 115.3 | 175.8 | 179 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 330 | H | 33.8 | Very low | 37.7 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 133.1 | 165.1 | -110.9 | -82.4 | 0 | 0 | 0 | 110.7 | ||
| 331 | C | 36.2 | Very low | 37.3 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 120.1 | 164.1 | -93.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 332 | E | 35 | Very low | 37.2 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 131.9 | 164.8 | -56.5 | -146.9 | 163 | 0 | 0 | 109.1 | ||
| 333 | G | 40.1 | Very low | 37.1 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -148.8 | 104.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 334 | E | 36.7 | Very low | 37.5 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -63.3 | 138 | 179.4 | -56.4 | 168.8 | 131.6 | 0 | 0 | 111.4 | ||||
| 335 | Q | 43 | Very low | 37.6 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | 172.2 | 118.1 | 121.9 | -91.5 | 168.1 | 31.4 | 0 | 0 | 112.8 | |||||
| 336 | S | 36.8 | Very low | 37.9 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | 54.6 | 131.4 | 141 | 60.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 337 | D | 41.7 | Very low | 37.7 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 81% | 0.813 | S | S | * | * | trans | 99.8 | 95.4 | 143.9 | -68 | -40.6 | 0 | 0 | 0 | 120.5 | ||||
| 338 | K | 47.2 | Very low | 37.3 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | 58.8 | 115.4 | 126.9 | -61.5 | 169 | -171.2 | 164.2 | 0 | 118.6 | |||||
| 339 | G | 37.3 | Very low | 37.1 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 148.5 | 93.1 | 146 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 340 | S | 38 | Very low | 36.7 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | -27.5 | 135.1 | 171.3 | 58.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 341 | C | 32.3 | Very low | 36.7 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | 59.4 | 119.1 | 125.2 | -56.4 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 342 | L | 38 | Very low | 36.8 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | -179.8 | 144.6 | 90.7 | -141.4 | 76.9 | 0 | 0 | 0 | 111.4 | |||||
| 343 | N | 33 | Very low | 37 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | -57.6 | 146.4 | -174.3 | -59.4 | -39.1 | 0 | 0 | 0 | 116.1 | ||||
| 344 | K | 41.1 | Very low | 36.9 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | -163.7 | 123.5 | 128.6 | -105.9 | 164.8 | -173 | 179.9 | 0 | 111.2 | |||||
| 345 | S | 34.7 | Very low | 37.3 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -68.9 | 132.4 | -174.5 | -32 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 346 | V | 39.2 | Very low | 37 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -121.8 | 136.1 | 169.3 | 170.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 347 | E | 33.3 | Very low | 37.3 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -54.7 | 140.5 | 178.3 | -60 | 169.3 | 147.4 | 0 | 0 | 112.7 | ||||
| 348 | T | 31.3 | Very low | 37.2 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -119 | 103.1 | 170.3 | 31 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 349 | G | 32.7 | Very low | 37 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -102.7 | 111.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 350 | W | 29.4 | Very low | 37.6 | Very low | 245 Ų | 245 | 148.4 Ų | 148.4 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | -98.5 | 128.1 | 171.6 | -89.1 | 19.7 | 0 | 0 | 0 | 109.7 | ||||
| 351 | A | 33.6 | Very low | 38.1 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | 170.1 | 108 | 132.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 352 | S | 37.9 | Very low | 38.9 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | trans | -135.1 | 109.7 | 159.6 | -162.9 | 0 | 0 | 0 | 0 | 108.1 | N354 | S352-N354 PolarHBondContact O-N 2.94Š| ||
| 353 | T | 39.4 | Very low | 39.6 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -75.8 | 108 | 171.5 | 43.7 | 0 | 0 | 0 | 0 | 108.7 | K355 | T353-K355 PolarHBondContact O-N 3.26Š| ||
| 354 | N | 39.2 | Very low | 40.2 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -72.9 | 107.9 | 172.2 | -78.1 | -31.3 | 0 | 0 | 0 | 110 | S352 | S352-N354 PolarHBondContact O-N 2.94Š| ||
| 355 | K | 44.3 | Very low | 40.9 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81 | 121.5 | 167 | -156.2 | 172.6 | -173 | 177.2 | 0 | 107.7 | T353 Q357 | T353-K355 PolarHBondContact O-N 3.26Å; K355-Q357 PolarHBondContact O-N 2.81Å |
| 356 | V | 37.2 | Very low | 42.1 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117.1 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 357 | Q | 41.9 | Very low | 42.4 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 117.3 | 176.4 | -140.1 | 104.2 | 10.7 | 0 | 0 | 108.8 | K355 | K355-Q357 PolarHBondContact O-N 2.81Š|
| 358 | L | 40 | Very low | 43.4 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 142.8 | 168 | -80.8 | 155.2 | 0 | 0 | 0 | 109.8 | K360 | L358-K360 PolarHBondContact O-N 3.07Š|
| 359 | P | 42.5 | Very low | 44.2 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127.3 | -178.8 | 27.1 | -31.9 | 0 | 0 | 0 | 110.2 | S361 | P359-S361 PolarHBondContact O-N 3.39Š|
| 360 | K | 51.6 | Low | 45 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 127.3 | 169.1 | -67.5 | 179.6 | 177.7 | -178.3 | 0 | 108.2 | L358 S362 | L358-K360 PolarHBondContact O-N 3.07Å; K360-S362 PolarHBondContact O-N 3.34Å |
| 361 | S | 47.5 | Very low | 46.4 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118 | 171.6 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | P359 E363 | P359-S361 PolarHBondContact O-N 3.39Å; S361-E363 PolarHBondContact O-N 3.05Å |
| 362 | S | 49.6 | Very low | 47.4 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.1 | 167.5 | 52.7 | 0 | 0 | 0 | 0 | 108.4 | K360 | K360-S362 PolarHBondContact O-N 3.34Š|
| 363 | E | 52.8 | Low | 48.1 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 131.5 | 167.5 | -70.7 | 178.8 | 161.6 | 0 | 0 | 109.2 | S361 | S361-E363 PolarHBondContact O-N 3.05Š|
| 364 | P | 46.1 | Very low | 48.7 | Very low | 71 Ų | 71 | 145.3 Ų | 145.3 | 46% | 0.461 | 77% | 0.773 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 138.3 | 179.9 | 31.8 | -34.3 | 0 | 0 | 0 | 109.5 | W366 A367 | P364-W366 VanDerWaalsContact CB-NE1 3.33Å; P364-W366 HydrophobicContact CG-CZ2 4.21Å; P364-W366 PolarHBondContact O-N 2.87Å; P364-A367 PolarHBondContact O-N 3.43Å; P364-A367 VanDerWaalsContact O-N 3.17Å |
| 365 | S | 54.3 | Low | 49.2 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -3.3 | -169 | 56.3 | 0 | 0 | 0 | 0 | 116.4 | ||
| 366 | W | 60.7 | Low | 49.2 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -7.3 | 177.7 | 62.7 | -95.3 | 0 | 0 | 0 | 113.7 | P364 K368 | P364-W366 VanDerWaalsContact CB-NE1 3.33Å; P364-W366 HydrophobicContact CG-CZ2 4.21Å; P364-W366 PolarHBondContact O-N 2.87Å; W366-K368 VanDerWaalsContact C-N 3.28Å; W366-K368 PolarHBondContact O-N 2.88Å |
| 367 | A | 44.9 | Very low | 49.9 | Very low | 62 Ų | 62 | 138 Ų | 138 | 51% | 0.512 | 75% | 0.753 | S | S | . | * | trans | -83.9 | 11 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P364 | P364-A367 PolarHBondContact O-N 3.43Å; P364-A367 VanDerWaalsContact O-N 3.17Å | ||
| 368 | K | 54.4 | Low | 50.2 | Low | 174 Ų | 174 | 136.8 Ų | 136.8 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -86.3 | 121.7 | 174.6 | -69.4 | -176.5 | 179.7 | -179.9 | 0 | 109.4 | W366 E370 | W366-K368 VanDerWaalsContact C-N 3.28Å; W366-K368 PolarHBondContact O-N 2.88Å; K368-E370 PolarHBondContact O-N 3.37Å; K368-E370 VanDerWaalsContact O-N 3.07Å |
| 369 | P | 49.4 | Very low | 50.8 | Low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -67.8 | 109 | 169.6 | 27.7 | -30.1 | 0 | 0 | 0 | 108 | A371 | P369-A371 PolarHBondContact O-N 2.99Å; P369-A371 VanDerWaalsContact O-N 3.07Å | ||
| 370 | E | 48.7 | Very low | 51.3 | Low | 194 Ų | 194 | 141.7 Ų | 141.7 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -65.2 | 102.6 | 161.7 | -97.5 | 177.1 | 163 | 0 | 0 | 107.2 | K368 | K368-E370 PolarHBondContact O-N 3.37Å; K368-E370 VanDerWaalsContact O-N 3.07Å | ||
| 371 | A | 58.6 | Low | 51.5 | Low | 82 Ų | 82 | 137.6 Ų | 137.6 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -62.8 | 132.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | P369 E373 | P369-A371 PolarHBondContact O-N 2.99Å; P369-A371 VanDerWaalsContact O-N 3.07Å; A371-E373 PolarHBondContact O-N 3.1Å | ||
| 372 | P | 55.3 | Low | 51.6 | Low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -64.8 | 120.2 | 175 | 25 | -31 | 0 | 0 | 0 | 109.4 | Y374 | P372-Y374 PolarHBondContact O-N 3.41Å; P372-Y374 VanDerWaalsContact O-N 3.09Å | ||
| 373 | E | 51.4 | Low | 51.8 | Low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -62.5 | 109.1 | 167.5 | -74.8 | -173.7 | 163 | 0 | 0 | 108.5 | A371 C375 | A371-E373 PolarHBondContact O-N 3.1Å; E373-C375 PolarHBondContact O-N 3.47Å; E373-C375 VanDerWaalsContact O-N 3.16Å | ||
| 374 | Y | 52.4 | Low | 51.7 | Low | 198 Ų | 198 | 144.2 Ų | 144.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -75.7 | 99.9 | 171.7 | -159.7 | -90.1 | 0 | 0 | 0 | 108 | P372 N376 | P372-Y374 PolarHBondContact O-N 3.41Å; P372-Y374 VanDerWaalsContact O-N 3.09Å; Y374-N376 WeakPolarHBondContact CD1-OD1 3.49Å; Y374-N376 WeakPolarHBondContact CE1-OD1 3.45Å; Y374-N376 PolarHBondContact O-N 3.06Å | ||
| 375 | C | 49.4 | Very low | 52 | Low | 110 Ų | 110 | 148.2 Ų | 148.2 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 98.7 | 165.8 | -83.4 | 0 | 0 | 0 | 0 | 108.9 | E373 S377 | E373-C375 PolarHBondContact O-N 3.47Å; E373-C375 VanDerWaalsContact O-N 3.16Å; C375-S377 VanDerWaalsContact C-N 3.31Å; C375-S377 PolarHBondContact O-N 3.29Å | ||
| 376 | N | 45 | Very low | 51.9 | Low | 117 Ų | 117 | 150.2 Ų | 150.2 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | trans | -70.2 | 92.4 | 158.9 | -72.1 | -39 | 0 | 0 | 0 | 107.9 | Y374 D378 | Y374-N376 WeakPolarHBondContact CD1-OD1 3.49Å; Y374-N376 WeakPolarHBondContact CE1-OD1 3.45Å; Y374-N376 PolarHBondContact O-N 3.06Å; N376-D378 PolarHBondContact O-N 2.8Å | ||
| 377 | S | 50.8 | Low | 51.3 | Low | 100 Ų | 100 | 146.6 Ų | 146.6 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -84 | 89.6 | 155.9 | 53.3 | 0 | 0 | 0 | 0 | 107.4 | C375 E379 | C375-S377 VanDerWaalsContact C-N 3.31Å; C375-S377 PolarHBondContact O-N 3.29Å; S377-E379 VanDerWaalsContact C-N 3.33Å; S377-E379 PolarHBondContact O-N 3.35Å; S377-E379 VanDerWaalsContact O-N 3.09Å | ||
| 378 | D | 49.7 | Very low | 51.8 | Low | 143 Ų | 143 | 152.2 Ų | 152.2 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | trans | -68.6 | 94.5 | 161.6 | -68.6 | -45.3 | 0 | 0 | 0 | 107.6 | N376 E380 | N376-D378 PolarHBondContact O-N 2.8Å; D378-E380 PolarHBondContact O-N 2.91Å | ||
| 379 | E | 52.6 | Low | 51.6 | Low | 176 Ų | 176 | 150.6 Ų | 150.6 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -83.1 | 93.2 | 160.5 | -78.5 | -171.4 | 147.4 | 0 | 0 | 108 | S377 S381 | S377-E379 VanDerWaalsContact C-N 3.33Å; S377-E379 PolarHBondContact O-N 3.35Å; S377-E379 VanDerWaalsContact O-N 3.09Å; E379-S381 PolarHBondContact O-N 3.32Å | ||
| 380 | E | 51.8 | Low | 51.7 | Low | 198 Ų | 198 | 152.6 Ų | 152.6 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -60.7 | 119.1 | 158.5 | -78.3 | -178.3 | 139.7 | 0 | 0 | 108.6 | D378 | D378-E380 PolarHBondContact O-N 2.91Š| ||
| 381 | S | 57.2 | Low | 52 | Low | 112 Ų | 112 | 149.2 Ų | 149.2 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -128.9 | 111.5 | 166.1 | 41 | 0 | 0 | 0 | 0 | 109.1 | E379 | E379-S381 PolarHBondContact O-N 3.32Š| ||
| 382 | D | 49.5 | Very low | 51.4 | Low | 246 Ų | 246 | 155.3 Ų | 155.3 | 100% | 1.316 | 83% | 0.829 | S | S | * | * | trans | -127.4 | 0 | 156.6 | -109.5 | -17.7 | 0 | 0 | 0 | 107.3 |
Retrieved 382 of 382 residues in 79.8 ms
(Link to these results)