| 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 | 34.6 | Very low | 35.2 | Very low | 242 Ų | 242 | 152.8 Ų | 152.8 | 100% | 1.192 | 80% | 0.802 | S | S | * | * | 0 | 151.1 | 0 | -76.3 | 174.1 | 164.2 | 0 | 0 | 107.9 | |||||
| 2 | A | 38.3 | Very low | 35.2 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 56.5 | 103.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3 | E | 39.7 | Very low | 35 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | 14.2 | 155.5 | 105.9 | -70.1 | -179.4 | 101.1 | 0 | 0 | 119.9 | |||||
| 4 | N | 35.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 65% | 0.647 | 81% | 0.807 | S | S | * | * | cis | -149.7 | -177.8 | 16.5 | -136.6 | -46.3 | 0 | 0 | 0 | 114.2 | ||||
| 5 | K | 44.4 | Very low | 34.9 | Very low | 181 Ų | 181 | 153.4 Ų | 153.4 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | trans | -40.2 | 150.3 | 168.5 | -68.4 | 167.1 | 174 | 172.8 | 0 | 115.2 | ||||
| 6 | D | 37.5 | Very low | 34.9 | Very low | 158 Ų | 158 | 151.5 Ų | 151.5 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | -158.7 | -178.7 | 99.4 | -129.9 | -38.7 | 0 | 0 | 0 | 114.1 | |||||
| 7 | S | 35 | Very low | 34.7 | Very low | 102 Ų | 102 | 154.6 Ų | 154.6 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -132.7 | 169.4 | -157.6 | 63.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 8 | N | 28.6 | Very low | 34.4 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 97.7 | 98.7 | 148 | -148.5 | 20 | 0 | 0 | 0 | 120.7 | ||||
| 9 | I | 34.2 | Very low | 34.2 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 73% | 0.728 | 82% | 0.818 | S | S | * | * | trans | 38 | 123.6 | 140.8 | -53 | 168.5 | 0 | 0 | 0 | 120.2 | ||||
| 10 | K | 31.5 | Very low | 34 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | -173.6 | 158.2 | 123.4 | -105.4 | 160.5 | -165.2 | 173.9 | 0 | 116.1 | |||||
| 11 | N | 28.7 | Very low | 33.7 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | 70.8 | 110.8 | 160.6 | -56 | -16.1 | 0 | 0 | 0 | 119.7 | ||||
| 12 | A | 35.4 | Very low | 33.4 | Very low | 99 Ų | 99 | 154.1 Ų | 154.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -138.6 | 102.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | D | 32.1 | Very low | 33 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -92.8 | 109.7 | -171.4 | -158.7 | -20.2 | 0 | 0 | 0 | 110.2 | ||||
| 14 | V | 36.3 | Very low | 32.7 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | -134 | 106.6 | -178.3 | -173.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 15 | R | 32.6 | Very low | 32.6 | Very low | 227 Ų | 227 | 152.6 Ų | 152.6 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 137.3 | 176.9 | -172.7 | 177.4 | -173.6 | 155.7 | -0.3 | 113.1 | ||
| 16 | P | 35.3 | Very low | 32 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146.7 | -177.6 | 28.8 | -35.5 | 0 | 0 | 0 | 113.1 | ||
| 17 | K | 30.3 | Very low | 32.1 | Very low | 204 Ų | 204 | 155.8 Ų | 155.8 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 137.2 | 169.7 | -70.3 | 176.9 | 178.9 | 173.3 | 0 | 110.2 | ||
| 18 | S | 29.4 | Very low | 31.9 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72 | 126.4 | 177.3 | 54 | 0 | 0 | 0 | 0 | 112.3 | ||
| 19 | S | 30.6 | Very low | 32 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 152.9 | 159.4 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 20 | R | 29.9 | Very low | 31.9 | Very low | 244 Ų | 244 | 157.6 Ų | 157.6 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -107.1 | 130.4 | -159.4 | -174.2 | 174.9 | 179.3 | 172 | -0.8 | 111.8 | ||||
| 21 | S | 28 | Very low | 32.2 | Very low | 115 Ų | 115 | 155.1 Ų | 155.1 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -53.6 | 136.8 | -176.4 | -38.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 22 | R | 29.5 | Very low | 32.4 | Very low | 247 Ų | 247 | 158.6 Ų | 158.6 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | trans | -131.9 | 93.5 | 160.9 | -79.4 | -169.1 | 169 | -167.4 | -2.9 | 109.6 | A24 | R22-A24 PolarHBondContact O-N 3.41Š| ||
| 23 | S | 28.7 | Very low | 32.4 | Very low | 123 Ų | 123 | 159.2 Ų | 159.2 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -72 | 114.8 | 172.3 | 47.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 24 | A | 33.2 | Very low | 32.3 | Very low | 88 Ų | 88 | 154.8 Ų | 154.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -97.1 | 90.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | R22 R26 | R22-A24 PolarHBondContact O-N 3.41Å; A24-R26 PolarHBondContact O-N 3.26Å | ||
| 25 | D | 33.5 | Very low | 32.2 | Very low | 139 Ų | 139 | 158.3 Ų | 158.3 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | -67 | 112.1 | 170.8 | -174.3 | -21.1 | 0 | 0 | 0 | 109 | K27 | D25-K27 WeakPolarHBondContact OD1-CB 3.27Å; D25-K27 PolarHBondContact OD1-N 3.12Å; D25-K27 VanDerWaalsContact OD1-N 3.09Å | ||
| 26 | R | 32.2 | Very low | 32.3 | Very low | 222 Ų | 222 | 157.2 Ų | 157.2 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -122.7 | 67.3 | 168.9 | -84.1 | -160.5 | 167.4 | 105.4 | -1.9 | 111.2 | A24 D28 | A24-R26 PolarHBondContact O-N 3.26Å; R26-D28 PolarHBondContact O-N 2.68Å; R26-D28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | K | 38.4 | Very low | 32.3 | Very low | 184 Ų | 184 | 159.7 Ų | 159.7 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | -49.1 | 97.6 | 154.8 | 176.6 | -162.7 | 179.3 | -176.4 | 0 | 112.6 | D25 | D25-K27 WeakPolarHBondContact OD1-CB 3.27Å; D25-K27 PolarHBondContact OD1-N 3.12Å; D25-K27 VanDerWaalsContact OD1-N 3.09Å | ||
| 28 | D | 32.5 | Very low | 32.2 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | -132 | 115.5 | 158.1 | -91.4 | -53 | 0 | 0 | 0 | 109.8 | R26 | R26-D28 PolarHBondContact O-N 2.68Å; R26-D28 VanDerWaalsContact O-N 3.08Å | ||
| 29 | G | 28.9 | Very low | 32 | Very low | 65 Ų | 65 | 161.8 Ų | 161.8 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | trans | -120.2 | 98.1 | -175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V31 | G29-V31 PolarHBondContact O-N 3.09Š| ||
| 30 | Y | 33.4 | Very low | 32 | Very low | 215 Ų | 215 | 161.1 Ų | 161.1 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -75.5 | 91.8 | 176 | -84.5 | -90.3 | 0 | 0 | 0 | 111.4 | W32 | Y30-W32 PolarHBondContact O-N 3.3Š| ||
| 31 | V | 36.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 159.6 Ų | 159.6 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -82 | 106.2 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 110 | G29 S33 | G29-V31 PolarHBondContact O-N 3.09Å; V31-S33 PolarHBondContact O-N 3.21Å | ||
| 32 | W | 33.3 | Very low | 31.9 | Very low | 228 Ų | 228 | 162.4 Ų | 162.4 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -62.9 | 126.7 | 170.5 | -91.9 | 41.2 | 0 | 0 | 0 | 111.1 | Y30 | Y30-W32 PolarHBondContact O-N 3.3Š| ||
| 33 | S | 35.4 | Very low | 31.7 | Very low | 112 Ų | 112 | 156 Ų | 156 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -95.4 | 102.5 | -172.4 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | V31 K35 | V31-S33 PolarHBondContact O-N 3.21Å; S33-K35 PolarHBondContact O-N 3.08Å; S33-K35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | G | 31.4 | Very low | 31.7 | Very low | 72 Ų | 72 | 157.5 Ų | 157.5 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -64 | 109.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K36 | G34-K36 PolarHBondContact O-N 3.41Š| ||
| 35 | K | 32.5 | Very low | 31.3 | Very low | 204 Ų | 204 | 162.6 Ų | 162.6 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -57.3 | 123.2 | 176.5 | -70.4 | 171.4 | 179.4 | 169.3 | 0 | 110.5 | S33 | S33-K35 PolarHBondContact O-N 3.08Å; S33-K35 VanDerWaalsContact O-N 3.12Å | ||
| 36 | K | 34.6 | Very low | 30.9 | Very low | 204 Ų | 204 | 161.6 Ų | 161.6 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -99.4 | 119.3 | 170.2 | -67.7 | -169.1 | 178.9 | -173.3 | 0 | 110.2 | G34 | G34-K36 PolarHBondContact O-N 3.41Š| ||
| 37 | L | 35.9 | Very low | 30.7 | Very low | 175 Ų | 175 | 156.2 Ų | 156.2 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -107.2 | 144.1 | 162.4 | -71.3 | 173.9 | 0 | 0 | 0 | 109.6 | ||||
| 38 | S | 28.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 133.1 | -170.7 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 39 | W | 25.9 | Very low | 30.1 | Very low | 254 Ų | 254 | 153.2 Ų | 153.2 | 96% | 0.962 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 132.6 | 170.2 | -151.7 | -4.5 | 0 | 0 | 0 | 110.8 | ||
| 40 | S | 29.3 | Very low | 30.2 | Very low | 108 Ų | 108 | 159.3 Ų | 159.3 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 137 | 172 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 41 | K | 28.9 | Very low | 30 | Very low | 211 Ų | 211 | 153.3 Ų | 153.3 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 129.7 | 170.2 | -68.8 | -173.8 | 175.5 | -171.9 | 0 | 110.3 | ||
| 42 | K | 27.1 | Very low | 29.8 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | -109.8 | 136.4 | 148.7 | -161.9 | -169.6 | -175.2 | -156.8 | 0 | 106.9 | E44 | K42-E44 VanDerWaalsContact CE-OE1 3.24Å; K42-E44 WeakPolarHBondContact CE-OE1 3.4Å; K42-E44 IonicContact NZ-OE1 3.4Å; K42-E44 PolarHBondContact NZ-OE1 3.19Å | ||
| 43 | S | 26.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -112.2 | 126.1 | 179.7 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 44 | E | 27.6 | Very low | 29.4 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 72% | 0.724 | 82% | 0.824 | S | S | * | * | trans | -128.1 | 143.4 | 168.3 | -71.2 | 175.7 | -178.9 | 0 | 0 | 108.3 | K42 | K42-E44 VanDerWaalsContact CE-OE1 3.24Å; K42-E44 WeakPolarHBondContact CE-OE1 3.4Å; K42-E44 IonicContact NZ-OE1 3.4Å; K42-E44 PolarHBondContact NZ-OE1 3.19Å | ||
| 45 | H | 25.2 | Very low | 29.4 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 90% | 0.903 | 83% | 0.832 | S | S | * | * | trans | -89.9 | 149.9 | -170.7 | -125.5 | -83.7 | 0 | 0 | 0 | 110.5 | ||||
| 46 | C | 24.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -120.2 | 162.7 | 160.8 | -160.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 47 | S | 28 | Very low | 29.4 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -143.7 | 147.3 | -170.9 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 48 | D | 26.9 | Very low | 29 | Very low | 169 Ų | 169 | 141 Ų | 141 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | trans | -80.3 | 150.7 | -169.8 | -62.6 | -75.4 | 0 | 0 | 0 | 116.4 | ||||
| 49 | A | 31.6 | Very low | 29.1 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -166.4 | 128.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 50 | E | 29.9 | Very low | 29.4 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | 54.2 | 130.3 | 68.6 | -69.7 | -151.9 | 101.5 | 0 | 0 | 114.1 | |||||
| 51 | A | 31.2 | Very low | 29.4 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | cis | -158.2 | -163.3 | -6.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 52 | A | 30.7 | Very low | 29.6 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | cis | -160.2 | 171 | 8.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 53 | S | 29 | Very low | 29.8 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | trans | 7 | 137.1 | 152.3 | 61.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 54 | A | 31.4 | Very low | 29.9 | Very low | 109 Ų | 109 | 135 Ų | 135 | 90% | 0.901 | 84% | 0.839 | S | S | * | * | -164 | 165.5 | 125.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 55 | A | 32.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | -131.4 | 157.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 56 | G | 30.1 | Very low | 30.3 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | trans | -162.8 | 157 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 57 | R | 35.2 | Very low | 30.7 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -127.8 | 150.5 | -168 | -97.7 | -176.6 | 165.8 | -168 | -3.1 | 114.4 | ||||
| 58 | S | 29.4 | Very low | 30.9 | Very low | 123 Ų | 123 | 142 Ų | 142 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | 60.6 | 126.4 | 148 | 57.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 59 | G | 29.4 | Very low | 31 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -158.4 | 142.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 60 | T | 32.2 | Very low | 30.9 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 91% | 0.914 | 84% | 0.839 | S | S | * | * | trans | -90.3 | 143.3 | -170.8 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 61 | G | 28.4 | Very low | 30.6 | Very low | 78 Ų | 78 | 143 Ų | 143 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -89.6 | -175.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 62 | L | 33.5 | Very low | 30.6 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | trans | -130.9 | 158.5 | 172.1 | -88.4 | 167.6 | 0 | 0 | 0 | 110.4 | ||||
| 63 | R | 32.2 | Very low | 30.5 | Very low | 243 Ų | 243 | 146 Ų | 146 | 92% | 0.917 | 85% | 0.849 | S | S | * | * | trans | -97.6 | 148.7 | -177.2 | -69.4 | 173.3 | 164.3 | -179.5 | -4.9 | 112 | ||||
| 64 | S | 29.7 | Very low | 30.7 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 83% | 0.825 | 85% | 0.853 | S | S | * | * | trans | -152.7 | 97.7 | 142.5 | -156.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 65 | Q | 31.2 | Very low | 30.7 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 76% | 0.762 | 85% | 0.847 | S | S | * | * | trans | 33.2 | 104.1 | 142.4 | -159.7 | 167 | 28.8 | 0 | 0 | 120.7 | ||||
| 66 | E | 28.9 | Very low | 30.8 | Very low | 169 Ų | 169 | 153 Ų | 153 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | trans | -67.1 | 151.1 | 156.4 | -60.1 | -179.9 | 119.4 | 0 | 0 | 111.8 | ||||
| 67 | R | 32.9 | Very low | 30.7 | Very low | 221 Ų | 221 | 155.1 Ų | 155.1 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -114.9 | 126.7 | 160.3 | -71.3 | -174.9 | -176.5 | 146.5 | 2.5 | 109.9 | ||||
| 68 | K | 32.1 | Very low | 30.5 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -96.4 | 133 | 172.4 | -63.4 | 174.6 | -179.5 | 177.1 | 0 | 109.3 | ||||
| 69 | Y | 29.5 | Very low | 30.7 | Very low | 219 Ų | 219 | 150.6 Ų | 150.6 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -136.7 | 129.4 | 155.5 | -79.5 | -71.1 | 0 | 0 | 0 | 108.8 | ||||
| 70 | S | 29.8 | Very low | 31 | Very low | 119 Ų | 119 | 156.7 Ų | 156.7 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 138.7 | -178.4 | -54 | 0 | 0 | 0 | 0 | 110.1 | ||
| 71 | C | 24.1 | Very low | 31.1 | Very low | 134 Ų | 134 | 154.9 Ų | 154.9 | 91% | 0.905 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 135.5 | 166.3 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 72 | S | 29.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 157.3 Ų | 157.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 136 | 174.1 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 73 | S | 29.1 | Very low | 31.2 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 147.5 | 170.2 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 74 | I | 34 | Very low | 31.7 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | trans | -132.4 | 152.7 | 148.8 | -170.9 | 163.7 | 0 | 0 | 0 | 107.2 | ||||
| 75 | E | 31.8 | Very low | 32.6 | Very low | 166 Ų | 166 | 153.1 Ų | 153.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -130.5 | 168.3 | -155 | -160.3 | -180 | -136.7 | 0 | 0 | 112.4 | ||||
| 76 | L | 33.3 | Very low | 33.5 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 77.9 | 148.4 | 170.3 | -48.4 | 176.2 | 0 | 0 | 0 | 115.6 | ||||
| 77 | D | 28.9 | Very low | 34.8 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | cis | -145.8 | 165.7 | 9.9 | -149.3 | 7.5 | 0 | 0 | 0 | 115.7 | ||||
| 78 | L | 31.7 | Very low | 35.8 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 6.2 | 151.8 | 158.4 | -103.7 | 65.7 | 0 | 0 | 0 | 122 | ||||
| 79 | D | 32.7 | Very low | 37.6 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | cis | -160.2 | 169.3 | 8.3 | -169.8 | 22.7 | 0 | 0 | 0 | 113.3 | ||||
| 80 | R | 35.9 | Very low | 39.9 | Very low | 206 Ų | 206 | 134.4 Ų | 134.4 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | 102.6 | 94.5 | 136.5 | -144.5 | 165.9 | -164.9 | 174.5 | 7.4 | 121.4 | ||||
| 81 | S | 34.3 | Very low | 41.9 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 69.7 | 134.6 | 145.4 | -57.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 82 | C | 32.7 | Very low | 44.2 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | cis | -161.9 | 172 | -2.2 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 83 | G | 32 | Very low | 46.4 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | 104 | 55.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | R85 | G83-R85 PolarHBondContact O-N 3.3Š| ||
| 84 | H | 41.4 | Very low | 49 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | -54.6 | 114.9 | 177.1 | -164.7 | -96.2 | 0 | 0 | 0 | 114.7 | ||||
| 85 | R | 49.2 | Very low | 50.9 | Low | 223 Ų | 223 | 132 Ų | 132 | 84% | 0.842 | 69% | 0.687 | S | S | * | * | trans | -161.3 | 22.5 | 165.8 | -129.9 | -169.7 | -65.1 | -151.5 | 5.1 | 119.7 | G83 | G83-R85 PolarHBondContact O-N 3.3Š| ||
| 86 | F | 50 | Low | 52.9 | Low | 134 Ų | 134 | 129.3 Ų | 129.3 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | trans | -113.1 | -2.5 | -170.8 | -75.8 | -77 | 0 | 0 | 0 | 118.1 | G88 | F86-G88 PolarHBondContact O-N 3.44Š| ||
| 87 | L | 55.3 | Low | 54.7 | Low | 162 Ų | 162 | 125.4 Ų | 125.4 | 85% | 0.848 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 39.1 | -175.9 | -62.4 | 177.5 | 0 | 0 | 0 | 114.9 | ||
| 88 | G | 54.2 | Low | 56.7 | Low | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.2 | 6.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | F86 | F86-G88 PolarHBondContact O-N 3.44Š|
| 89 | R | 69.6 | Low | 58.4 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 40% | 0.396 | 63% | 0.629 | S | S | . | * | trans | -95.3 | 127.3 | 180 | -65.9 | -170.1 | -174.1 | -146.3 | -2.6 | 111.1 | Q93 K94 D97 | R89-Q93 HydrophobicContact CB-CB 4.14Å; R89-Q93 HydrophobicContact CB-CG 4.17Å; R89-Q93 HydrophobicContact CG-CG 4.19Å; R89-K94 HydrophobicContact CB-CG 4.07Å; R89-K94 WeakPolarHBondContact O-CE 3.44Å; R89-D97 WeakPolarHBondContact CD-OD2 3.29Å; R89-D97 IonicContact CZ-OD2 2.68Å; R89-D97 IonicContact NE-OD2 2.61Å; R89-D97 IonicContact NH1-OD1 3.73Å; R89-D97 PolarHBondContact NH1-OD1 2.64Å; R89-D97 VanDerWaalsContact NH1-OD1 3.09Å; R89-D97 IonicContact NH1-OD2 3.38Å; R89-D97 PolarHBondContact NH1-OD2 3.37Å | ||
| 90 | S | 77.9 | Confident | 59.9 | Low | 73 Ų | 73 | 115 Ų | 115 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | trans | -63 | 160.9 | 174.7 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | K92 Q93 K94 | S90-K92 PolarHBondContact O-N 3.39Å; S90-Q93 WeakPolarHBondContact O-CB 3.48Å; S90-Q93 PolarHBondContact O-N 3.09Å; S90-Q93 PolarHBondContact OG-N 2.76Å; S90-K94 PolarHBondContact O-N 3.04Å | ||
| 91 | L | 72.8 | Confident | 60.9 | Low | 149 Ų | 149 | 113.1 Ų | 113.1 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -55.6 | -40 | 178.6 | -176.4 | 62.6 | 0 | 0 | 0 | 112.1 | Q93 K94 L95 | L91-Q93 PolarHBondContact O-N 2.93Å; L91-K94 PolarHBondContact O-N 3.19Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 PolarHBondContact O-N 3.32Å |
| 92 | K | 71.6 | Confident | 61.7 | Low | 152 Ų | 152 | 112.3 Ų | 112.3 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.3 | -41.7 | 175.5 | -174.6 | 176.9 | -179.5 | 178.7 | 0 | 112.2 | S90 L95 Q96 | S90-K92 PolarHBondContact O-N 3.39Å; K92-L95 PolarHBondContact O-N 3.01Å; K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 3.08Å |
| 93 | Q | 76.4 | Confident | 62.6 | Low | 84 Ų | 84 | 112.8 Ų | 112.8 | 39% | 0.393 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.8 | -46 | 177.4 | -166.3 | 71.2 | 53.1 | 0 | 0 | 111.1 | R89 S90 L91 L95 Q96 D97 | R89-Q93 HydrophobicContact CB-CB 4.14Å; R89-Q93 HydrophobicContact CB-CG 4.17Å; R89-Q93 HydrophobicContact CG-CG 4.19Å; S90-Q93 WeakPolarHBondContact O-CB 3.48Å; S90-Q93 PolarHBondContact O-N 3.09Å; S90-Q93 PolarHBondContact OG-N 2.76Å; L91-Q93 PolarHBondContact O-N 2.93Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.5Å; Q93-Q96 PolarHBondContact O-N 2.95Å; Q93-D97 VanDerWaalsContact O-CG 3.23Å; Q93-D97 PolarHBondContact O-N 3.29Å |
| 94 | K | 83.3 | Confident | 63.1 | Low | 116 Ų | 116 | 114.9 Ų | 114.9 | 50% | 0.504 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.6 | -39.4 | 176.2 | -66.7 | -177.3 | -179.9 | -177.5 | 0 | 112.1 | R89 S90 L91 A98 | R89-K94 HydrophobicContact CB-CG 4.07Å; R89-K94 WeakPolarHBondContact O-CE 3.44Å; S90-K94 PolarHBondContact O-N 3.04Å; L91-K94 PolarHBondContact O-N 3.19Å; K94-A98 WeakPolarHBondContact O-CB 3.17Å; K94-A98 PolarHBondContact O-N 2.94Å |
| 95 | L | 73.1 | Confident | 63.2 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 60% | 0.597 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.9 | -42.1 | 175.8 | -169.3 | 70 | 0 | 0 | 0 | 111.6 | L91 K92 Q93 A98 V99 | L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 PolarHBondContact O-N 3.32Å; K92-L95 PolarHBondContact O-N 3.01Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 3.5Å; L95-A98 PolarHBondContact O-N 3.15Å; L95-V99 WeakPolarHBondContact O-CB 3.28Å; L95-V99 VanDerWaalsContact O-CG2 3.28Å; L95-V99 WeakPolarHBondContact O-CG2 3.45Å; L95-V99 PolarHBondContact O-N 2.83Å |
| 96 | Q | 74.6 | Confident | 62.9 | Low | 111 Ų | 111 | 111.7 Ų | 111.7 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.5 | -41.4 | 175.6 | -74.2 | 179 | -46 | 0 | 0 | 112.5 | K92 Q93 A98 V99 G100 | K92-Q96 WeakPolarHBondContact O-CG 3.37Å; K92-Q96 PolarHBondContact O-N 3.08Å; Q93-Q96 PolarHBondContact O-N 2.95Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.93Å; Q96-V99 PolarHBondContact O-N 2.81Å; Q96-G100 PolarHBondContact O-N 3.34Å |
| 97 | D | 71.6 | Confident | 62.2 | Low | 58 Ų | 58 | 112 Ų | 112 | 31% | 0.31 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.9 | -42.3 | 174 | -67.1 | -38.1 | 0 | 0 | 0 | 110.8 | R89 Q93 G100 Q101 | R89-D97 WeakPolarHBondContact CD-OD2 3.29Å; R89-D97 IonicContact CZ-OD2 2.68Å; R89-D97 IonicContact NE-OD2 2.61Å; R89-D97 IonicContact NH1-OD1 3.73Å; R89-D97 PolarHBondContact NH1-OD1 2.64Å; R89-D97 VanDerWaalsContact NH1-OD1 3.09Å; R89-D97 IonicContact NH1-OD2 3.38Å; R89-D97 PolarHBondContact NH1-OD2 3.37Å; Q93-D97 VanDerWaalsContact O-CG 3.23Å; Q93-D97 PolarHBondContact O-N 3.29Å; D97-G100 PolarHBondContact O-N 3.4Å; D97-Q101 WeakPolarHBondContact O-CG 3.49Å; D97-Q101 PolarHBondContact O-N 2.96Å |
| 98 | A | 70.6 | Confident | 61.2 | Low | 50 Ų | 50 | 109.9 Ų | 109.9 | 41% | 0.413 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.1 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | K94 L95 Q96 G100 Q101 C102 | K94-A98 WeakPolarHBondContact O-CB 3.17Å; K94-A98 PolarHBondContact O-N 2.94Å; L95-A98 PolarHBondContact O-N 3.15Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.93Å; A98-G100 PolarHBondContact O-N 3.26Å; A98-Q101 WeakPolarHBondContact O-CB 3.4Å; A98-Q101 PolarHBondContact O-N 3.36Å; A98-C102 PolarHBondContact O-N 3.44Å; A98-C102 PolarHBondContact O-SG 3.44Å; A98-C102 VanDerWaalsContact O-SG 3.41Å |
| 99 | V | 67.7 | Low | 60.5 | Low | 77 Ų | 77 | 111.6 Ų | 111.6 | 47% | 0.467 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.5 | -34.9 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | L95 Q96 Q101 C102 F103 | L95-V99 WeakPolarHBondContact O-CB 3.28Å; L95-V99 VanDerWaalsContact O-CG2 3.28Å; L95-V99 WeakPolarHBondContact O-CG2 3.45Å; L95-V99 PolarHBondContact O-N 2.83Å; Q96-V99 PolarHBondContact O-N 2.81Å; V99-Q101 VanDerWaalsContact C-N 3.33Å; V99-Q101 PolarHBondContact O-N 3.32Å; V99-C102 PolarHBondContact O-N 3.34Å; V99-F103 HydrophobicContact CG1-CD2 4.11Å; V99-F103 PolarHBondContact O-N 3.48Å |
| 100 | G | 62.9 | Low | 58.7 | Low | 49 Ų | 49 | 112 Ų | 112 | 51% | 0.505 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.3 | -27.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q96 D97 A98 | Q96-G100 PolarHBondContact O-N 3.34Å; D97-G100 PolarHBondContact O-N 3.4Å; A98-G100 PolarHBondContact O-N 3.26Å |
| 101 | Q | 58.5 | Low | 56.9 | Low | 167 Ų | 167 | 118.6 Ų | 118.6 | 78% | 0.78 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.9 | -40.3 | 170.5 | -66.9 | -77.6 | -8.1 | 0 | 0 | 111.3 | D97 A98 V99 F103 | D97-Q101 WeakPolarHBondContact O-CG 3.49Å; D97-Q101 PolarHBondContact O-N 2.96Å; A98-Q101 WeakPolarHBondContact O-CB 3.4Å; A98-Q101 PolarHBondContact O-N 3.36Å; V99-Q101 VanDerWaalsContact C-N 3.33Å; V99-Q101 PolarHBondContact O-N 3.32Å; Q101-F103 VanDerWaalsContact C-N 3.35Å; Q101-F103 PolarHBondContact O-N 2.76Å |
| 102 | C | 51.3 | Low | 55.3 | Low | 94 Ų | 94 | 120.5 Ų | 120.5 | 64% | 0.635 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.5 | -23.2 | 179.8 | -63.6 | 0 | 0 | 0 | 0 | 114 | A98 V99 | A98-C102 PolarHBondContact O-N 3.44Å; A98-C102 PolarHBondContact O-SG 3.44Å; A98-C102 VanDerWaalsContact O-SG 3.41Å; V99-C102 PolarHBondContact O-N 3.34Å |
| 103 | F | 49.7 | Very low | 53.3 | Low | 139 Ų | 139 | 118.3 Ų | 118.3 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -128.2 | 93.1 | 178.4 | -66.4 | -81.1 | 0 | 0 | 0 | 111.3 | V99 Q101 I105 | V99-F103 HydrophobicContact CG1-CD2 4.11Å; V99-F103 PolarHBondContact O-N 3.48Å; Q101-F103 VanDerWaalsContact C-N 3.35Å; Q101-F103 PolarHBondContact O-N 2.76Å; F103-I105 PolarHBondContact O-N 3.31Å |
| 104 | P | 43.8 | Very low | 51.5 | Low | 112 Ų | 112 | 120.3 Ų | 120.3 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -74.8 | 68.5 | -178.1 | 30.8 | -36.3 | 0 | 0 | 0 | 112.7 | K106 | P104-K106 PolarHBondContact O-N 2.86Å; P104-K106 VanDerWaalsContact O-N 3.15Å | ||
| 105 | I | 43.2 | Very low | 49.5 | Very low | 139 Ų | 139 | 118.2 Ų | 118.2 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | trans | -69 | 107.5 | 169.2 | -57.7 | 178.1 | 0 | 0 | 0 | 107.6 | F103 N107 | F103-I105 PolarHBondContact O-N 3.31Å; I105-N107 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 3.35Å | ||
| 106 | K | 42.6 | Very low | 48.1 | Very low | 184 Ų | 184 | 121 Ų | 121 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | trans | -69.9 | 83.8 | -176.2 | -65.4 | -175.7 | 180 | -178.8 | 0 | 112.1 | P104 C108 | P104-K106 PolarHBondContact O-N 2.86Å; P104-K106 VanDerWaalsContact O-N 3.15Å; K106-C108 VanDerWaalsContact C-N 3.28Å; K106-C108 PolarHBondContact O-N 3.11Å | ||
| 107 | N | 36.2 | Very low | 46.7 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -69.8 | 86 | 163.4 | -90.6 | 19.1 | 0 | 0 | 0 | 109.8 | I105 S109 | I105-N107 VanDerWaalsContact C-N 3.35Å; I105-N107 PolarHBondContact O-N 3.35Å; N107-S109 PolarHBondContact O-N 2.93Å | ||
| 108 | C | 33.8 | Very low | 45.3 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | trans | -70.8 | 73.8 | 174.8 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | K106 | K106-C108 VanDerWaalsContact C-N 3.28Å; K106-C108 PolarHBondContact O-N 3.11Å | ||
| 109 | S | 39.1 | Very low | 44.7 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -103.8 | 44.3 | 170 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | N107 | N107-S109 PolarHBondContact O-N 2.93Š| ||
| 110 | S | 31.6 | Very low | 44.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -91.9 | 130.1 | 164.2 | -166 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 111 | R | 41 | Very low | 44.5 | Very low | 211 Ų | 211 | 145.3 Ų | 145.3 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -87.6 | 159.6 | 174 | -57.6 | 179.5 | -170.7 | -178.7 | 2.3 | 108.8 | ||||
| 112 | H | 38.1 | Very low | 44.6 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | 71.6 | 77.9 | 175.2 | -46.5 | -81.1 | 0 | 0 | 0 | 116.6 | ||||
| 113 | A | 31.2 | Very low | 44.9 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 88% | 0.884 | 77% | 0.771 | S | S | * | * | trans | -143.4 | 131.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 114 | S | 38.4 | Very low | 45.4 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -102.8 | 125.6 | -169.5 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 115 | G | 40.5 | Very low | 46.2 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 85.5 | 109.1 | 159 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 116 | L | 43.3 | Very low | 46.9 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 74% | 0.743 | S | S | * | * | -175.1 | 157.3 | 127.5 | -94.7 | 171.2 | 0 | 0 | 0 | 108 | |||||
| 117 | P | 45.8 | Very low | 47.6 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -78.1 | 163.4 | -158.7 | 29.7 | -35.8 | 0 | 0 | 0 | 115.9 | ||||
| 118 | S | 42.6 | Very low | 48.6 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | -59.7 | 157 | -173.3 | -171.5 | 0 | 0 | 0 | 0 | 115.3 | R120 | S118-R120 VanDerWaalsContact C-N 3.26Å; S118-R120 PolarHBondContact O-N 2.7Å | ||
| 119 | K | 57.8 | Low | 50.1 | Low | 207 Ų | 207 | 129 Ų | 129 | 90% | 0.9 | 70% | 0.698 | S | S | * | * | trans | -65.6 | 68.8 | 176.1 | -61.7 | 175.2 | 179.3 | 174.5 | 0 | 112.8 | ||||
| 120 | R | 63.1 | Low | 51.3 | Low | 220 Ų | 220 | 130.2 Ų | 130.2 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 140.6 | 164.5 | -71.4 | -170.7 | -158.2 | 138.5 | 5.4 | 109.9 | S118 | S118-R120 VanDerWaalsContact C-N 3.26Å; S118-R120 PolarHBondContact O-N 2.7Å |
| 121 | K | 62.9 | Low | 53.1 | Low | 201 Ų | 201 | 133.4 Ų | 133.4 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 121.4 | 158.7 | -73.8 | -178 | 172.9 | -175.9 | 0 | 107.3 | H123 | K121-H123 PolarHBondContact O-N 3.09Š|
| 122 | I | 59.9 | Low | 54.9 | Low | 85 Ų | 85 | 125 Ų | 125 | 44% | 0.436 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 124.2 | 168.2 | -65.6 | 157.6 | 0 | 0 | 0 | 106.9 | E126 L127 F134 | I122-E126 VanDerWaalsContact CA-OE2 3.31Å; I122-E126 WeakPolarHBondContact CA-OE2 3.45Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; I122-E126 WeakPolarHBondContact CG2-OE2 3.43Å; I122-L127 HydrophobicContact CG2-CD2 4.02Å; I122-L127 HydrophobicContact CG2-CG 4.28Å; I122-F134 HydrophobicContact CD1-CE1 3.96Å; I122-F134 HydrophobicContact CD1-CZ 3.89Å |
| 123 | H | 58.6 | Low | 56.8 | Low | 123 Ų | 123 | 119.3 Ų | 119.3 | 57% | 0.569 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 152.1 | 176.7 | -167.1 | -112.8 | 0 | 0 | 0 | 110.3 | K121 S125 E126 | K121-H123 PolarHBondContact O-N 3.09Å; H123-S125 PolarHBondContact ND1-OG 3.05Å; H123-S125 PolarHBondContact O-N 3.22Å; H123-S125 VanDerWaalsContact O-N 3.12Å; H123-E126 HydrophobicContact CB-CG 4.39Å; H123-E126 PolarHBondContact N-OE2 2.77Å; H123-E126 WeakPolarHBondContact O-CB 3.41Å; H123-E126 PolarHBondContact O-N 3.46Å |
| 124 | I | 60.1 | Low | 59.1 | Low | 126 Ų | 126 | 116.1 Ų | 116.1 | 65% | 0.646 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.1 | -28.7 | -175.5 | -129.9 | 71.6 | 0 | 0 | 0 | 112.1 | E126 L127 | I124-E126 VanDerWaalsContact C-N 3.31Å; I124-E126 PolarHBondContact O-N 3.15Å; I124-L127 HydrophobicContact CD1-CD1 4.07Å; I124-L127 HydrophobicContact CG1-CD1 4.49Å; I124-L127 WeakPolarHBondContact O-CB 3.12Å; I124-L127 PolarHBondContact O-N 3.49Å; I124-L127 VanDerWaalsContact O-N 3.16Å |
| 125 | S | 59.7 | Low | 61.1 | Low | 64 Ų | 64 | 114.4 Ų | 114.4 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -24 | 173.9 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | H123 L127 M128 | H123-S125 PolarHBondContact ND1-OG 3.05Å; H123-S125 PolarHBondContact O-N 3.22Å; H123-S125 VanDerWaalsContact O-N 3.12Å; S125-L127 PolarHBondContact O-N 3.49Å; S125-M128 PolarHBondContact O-N 2.85Å |
| 126 | E | 58.9 | Low | 62.4 | Low | 79 Ų | 79 | 116.7 Ų | 116.7 | 37% | 0.369 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.7 | -20.9 | 173.8 | -61.5 | 178.7 | 171 | 0 | 0 | 111.7 | I122 H123 I124 | I122-E126 VanDerWaalsContact CA-OE2 3.31Å; I122-E126 WeakPolarHBondContact CA-OE2 3.45Å; I122-E126 HydrophobicContact CG2-CB 4.06Å; I122-E126 WeakPolarHBondContact CG2-OE2 3.43Å; H123-E126 HydrophobicContact CB-CG 4.39Å; H123-E126 PolarHBondContact N-OE2 2.77Å; H123-E126 WeakPolarHBondContact O-CB 3.41Å; H123-E126 PolarHBondContact O-N 3.46Å; I124-E126 VanDerWaalsContact C-N 3.31Å; I124-E126 PolarHBondContact O-N 3.15Å |
| 127 | L | 56.4 | Low | 63.6 | Low | 52 Ų | 52 | 120.8 Ų | 120.8 | 27% | 0.272 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -79.9 | -22.4 | 172.6 | -56.1 | 177.6 | 0 | 0 | 0 | 112.3 | I122 I124 S125 L129 W144 | I122-L127 HydrophobicContact CG2-CD2 4.02Å; I122-L127 HydrophobicContact CG2-CG 4.28Å; I124-L127 HydrophobicContact CD1-CD1 4.07Å; I124-L127 HydrophobicContact CG1-CD1 4.49Å; I124-L127 WeakPolarHBondContact O-CB 3.12Å; I124-L127 PolarHBondContact O-N 3.49Å; I124-L127 VanDerWaalsContact O-N 3.16Å; S125-L127 PolarHBondContact O-N 3.49Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-W144 PolarHBondContact O-NE1 3.16Å |
| 128 | M | 58.1 | Low | 65.3 | Low | 138 Ų | 138 | 116.7 Ų | 116.7 | 68% | 0.68 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 5.7 | 179.9 | -63.4 | -62.5 | -67.3 | 0 | 0 | 114 | S125 | S125-M128 PolarHBondContact O-N 2.85Š|
| 129 | L | 65.6 | Low | 67 | Low | 84 Ų | 84 | 117.3 Ų | 117.3 | 44% | 0.44 | 57% | 0.57 | S | S | . | * | trans | -69.2 | 155 | 178.4 | -65.7 | 174.7 | 0 | 0 | 0 | 111.9 | L127 W144 | L127-L129 VanDerWaalsContact C-N 3.34Å; L129-W144 WeakPolarHBondContact O-CH2 3.41Å; L129-W144 WeakPolarHBondContact O-CZ2 3.36Å | ||
| 130 | D | 63.3 | Low | 68.1 | Low | 138 Ų | 138 | 111.6 Ų | 111.6 | 74% | 0.738 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -76.4 | -31.4 | -179.4 | -94.6 | -45 | 0 | 0 | 0 | 114.7 | K148 | D130-K148 PolarHBondContact O-NZ 3.33Å; D130-K148 IonicContact OD1-NZ 3.09Å; D130-K148 PolarHBondContact OD1-NZ 3.02Å |
| 131 | K | 70.6 | Confident | 69 | Low | 181 Ų | 181 | 101.4 Ų | 101.4 | 79% | 0.787 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -111.6 | 139.3 | 177.9 | -61.7 | -175.2 | -178.9 | -179.2 | 0 | 110.1 | ||
| 132 | C | 79.1 | Confident | 69.7 | Low | 35 Ų | 35 | 99 Ų | 99 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | trans | -64.4 | 126.8 | -176.4 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | F134 W144 H145 | C132-F134 VanDerWaalsContact C-N 3.27Å; C132-F134 PolarHBondContact O-N 3.49Å; C132-W144 HydrophobicContact CB-CD2 4.02Å; C132-W144 HydrophobicContact CB-CE3 3.5Å; C132-W144 HydrophobicContact CB-CH2 4Å; C132-W144 HydrophobicContact CB-CZ2 4.44Å; C132-W144 HydrophobicContact CB-CZ3 3.51Å; C132-W144 VanDerWaalsContact SG-CD2 3.59Å; C132-H145 VanDerWaalsContact CB-CE1 3.48Å; C132-H145 WeakPolarHBondContact CB-CE1 3.49Å | ||
| 133 | P | 76.3 | Confident | 70.7 | Confident | 69 Ų | 69 | 101.2 Ų | 101.2 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | trans | -82 | -0.3 | 179.8 | 33.3 | -36.1 | 0 | 0 | 0 | 113.9 | ||||
| 134 | F | 80.9 | Confident | 71.9 | Confident | 39 Ų | 39 | 95.8 Ų | 95.8 | 17% | 0.171 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -103.1 | 150.9 | -175.8 | -55.4 | -62.3 | 0 | 0 | 0 | 112.2 | I122 C132 L140 A141 W144 | I122-F134 HydrophobicContact CD1-CE1 3.96Å; I122-F134 HydrophobicContact CD1-CZ 3.89Å; C132-F134 VanDerWaalsContact C-N 3.27Å; C132-F134 PolarHBondContact O-N 3.49Å; F134-L140 HydrophobicContact CB-CB 4.26Å; F134-L140 HydrophobicContact CD1-CB 3.97Å; F134-L140 HydrophobicContact CD1-CD1 4.2Å; F134-L140 HydrophobicContact CD2-CB 4.04Å; F134-L140 HydrophobicContact CE1-CB 4.36Å; F134-L140 HydrophobicContact CE1-CD1 4.27Å; F134-L140 HydrophobicContact CE2-CB 4.43Å; F134-L140 HydrophobicContact CG-CB 3.81Å; F134-A141 HydrophobicContact CB-CB 3.94Å; F134-W144 HydrophobicContact CD2-CB 3.94Å; F134-W144 HydrophobicContact CD2-CG 4.19Å; F134-W144 HydrophobicContact CE2-CB 3.99Å; F134-W144 AromaticContact CE2-CD1 3.75Å; F134-W144 HydrophobicContact CE2-CG 4.08Å |
| 135 | P | 78.9 | Confident | 72.9 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 139.7 | 178.2 | -25.4 | 34.7 | 0 | 0 | 0 | 112.5 | S138 A141 | P135-S138 VanDerWaalsContact O-CB 3.27Å; P135-S138 WeakPolarHBondContact O-CB 3.32Å; P135-S138 PolarHBondContact O-N 3.32Å; P135-S138 VanDerWaalsContact O-N 3.12Å; P135-S138 PolarHBondContact O-OG 3.07Å; P135-A141 WeakPolarHBondContact O-CB 3.19Å |
| 136 | P | 69.3 | Low | 73.9 | Confident | 120 Ų | 120 | 95.1 Ų | 95.1 | 78% | 0.779 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 144.6 | 177.6 | 25.6 | -34.2 | 0 | 0 | 0 | 110.7 | S138 | P136-S138 PolarHBondContact O-N 3.47Š|
| 137 | R | 68.7 | Low | 74.8 | Confident | 258 Ų | 258 | 95.3 Ų | 95.3 | 97% | 0.974 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 4.8 | -172.9 | -56.4 | 177.3 | 136.9 | 155 | -4.2 | 116.2 | ||
| 138 | S | 81.7 | Confident | 75.8 | Confident | 33 Ų | 33 | 96.3 Ų | 96.3 | 23% | 0.231 | 47% | 0.473 | C | S | . | . | trans | -74.6 | 150 | 168.7 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | P135 P136 L140 A141 F142 | P135-S138 VanDerWaalsContact O-CB 3.27Å; P135-S138 WeakPolarHBondContact O-CB 3.32Å; P135-S138 PolarHBondContact O-N 3.32Å; P135-S138 VanDerWaalsContact O-N 3.12Å; P135-S138 PolarHBondContact O-OG 3.07Å; P136-S138 PolarHBondContact O-N 3.47Å; S138-L140 PolarHBondContact O-N 3.11Å; S138-A141 WeakPolarHBondContact O-CB 3.36Å; S138-A141 PolarHBondContact O-N 3.05Å; S138-A141 VanDerWaalsContact O-N 3.09Å; S138-A141 WeakPolarHBondContact OG-CB 3.49Å; S138-A141 PolarHBondContact OG-N 3.39Å; S138-F142 PolarHBondContact O-N 3.49Å | ||
| 139 | E | 77.6 | Confident | 76.5 | Confident | 121 Ų | 121 | 99.6 Ų | 99.6 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.3 | -35.1 | 176.3 | -169.8 | -167.8 | -154.2 | 0 | 0 | 111.9 | F142 R143 | E139-F142 PolarHBondContact O-N 3.35Å; E139-R143 VanDerWaalsContact CD-CZ 3.44Å; E139-R143 WeakPolarHBondContact O-CG 3.45Å; E139-R143 PolarHBondContact O-N 2.9Å; E139-R143 IonicContact OE1-CZ 2.76Å; E139-R143 IonicContact OE1-NE 3.95Å; E139-R143 IonicContact OE1-NH1 2.7Å; E139-R143 IonicContact OE1-NH2 3.69Å; E139-R143 PolarHBondContact OE1-NH2 3.05Å; E139-R143 IonicContact OE2-CZ 2.64Å; E139-R143 IonicContact OE2-NH1 3.83Å; E139-R143 PolarHBondContact OE2-NH1 3.38Å; E139-R143 IonicContact OE2-NH2 3.64Å |
| 140 | L | 80.3 | Confident | 76.3 | Confident | 88 Ų | 88 | 103 Ų | 103 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 175.1 | -61.5 | -179.8 | 0 | 0 | 0 | 111.8 | F134 S138 R143 W144 | F134-L140 HydrophobicContact CB-CB 4.26Å; F134-L140 HydrophobicContact CD1-CB 3.97Å; F134-L140 HydrophobicContact CD1-CD1 4.2Å; F134-L140 HydrophobicContact CD2-CB 4.04Å; F134-L140 HydrophobicContact CE1-CB 4.36Å; F134-L140 HydrophobicContact CE1-CD1 4.27Å; F134-L140 HydrophobicContact CE2-CB 4.43Å; F134-L140 HydrophobicContact CG-CB 3.81Å; S138-L140 PolarHBondContact O-N 3.11Å; L140-R143 PolarHBondContact O-N 2.93Å; L140-W144 VanDerWaalsContact O-CB 3.28Å; L140-W144 WeakPolarHBondContact O-CB 3.31Å; L140-W144 PolarHBondContact O-N 3.4Å |
| 141 | A | 82.6 | Confident | 76.4 | Confident | 6 Ų | 6 | 100.1 Ų | 100.1 | 5% | 0.05 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F134 P135 S138 W144 H145 | F134-A141 HydrophobicContact CB-CB 3.94Å; P135-A141 WeakPolarHBondContact O-CB 3.19Å; S138-A141 WeakPolarHBondContact O-CB 3.36Å; S138-A141 PolarHBondContact O-N 3.05Å; S138-A141 VanDerWaalsContact O-N 3.09Å; S138-A141 WeakPolarHBondContact OG-CB 3.49Å; S138-A141 PolarHBondContact OG-N 3.39Å; A141-W144 PolarHBondContact O-N 3.43Å; A141-H145 PolarHBondContact O-N 3.07Å; A141-H145 VanDerWaalsContact O-N 3.08Å; A141-H145 PolarHBondContact O-ND1 3.14Å |
| 142 | F | 77.7 | Confident | 75.6 | Confident | 150 Ų | 150 | 94.4 Ų | 94.4 | 66% | 0.658 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.4 | -49.8 | 177.1 | -176.2 | -95.4 | 0 | 0 | 0 | 111.8 | S138 E139 W144 H145 L146 | S138-F142 PolarHBondContact O-N 3.49Å; E139-F142 PolarHBondContact O-N 3.35Å; F142-W144 VanDerWaalsContact C-N 3.33Å; F142-W144 PolarHBondContact O-N 3.38Å; F142-H145 PolarHBondContact O-N 3.41Å; F142-L146 PolarHBondContact O-N 3.41Å |
| 143 | R | 80.6 | Confident | 74 | Confident | 131 Ų | 131 | 98.6 Ų | 98.6 | 49% | 0.494 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 177 | -71.7 | 177.5 | 175.5 | 157.2 | 4.6 | 112.5 | E139 L140 L146 I147 | E139-R143 VanDerWaalsContact CD-CZ 3.44Å; E139-R143 WeakPolarHBondContact O-CG 3.45Å; E139-R143 PolarHBondContact O-N 2.9Å; E139-R143 IonicContact OE1-CZ 2.76Å; E139-R143 IonicContact OE1-NE 3.95Å; E139-R143 IonicContact OE1-NH1 2.7Å; E139-R143 IonicContact OE1-NH2 3.69Å; E139-R143 PolarHBondContact OE1-NH2 3.05Å; E139-R143 IonicContact OE2-CZ 2.64Å; E139-R143 IonicContact OE2-NH1 3.83Å; E139-R143 PolarHBondContact OE2-NH1 3.38Å; E139-R143 IonicContact OE2-NH2 3.64Å; L140-R143 PolarHBondContact O-N 2.93Å; R143-L146 PolarHBondContact O-N 3.12Å; R143-I147 VanDerWaalsContact O-CG1 3.29Å; R143-I147 WeakPolarHBondContact O-CG1 3.35Å; R143-I147 PolarHBondContact O-N 2.68Å |
| 144 | W | 84 | Confident | 72.4 | Confident | 9 Ų | 9 | 102.5 Ų | 102.5 | 3% | 0.034 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 176.7 | -175.4 | 92.4 | 0 | 0 | 0 | 112.5 | L127 L129 C132 F134 L140 A141 F142 L146 I147 K148 | L127-W144 PolarHBondContact O-NE1 3.16Å; L129-W144 WeakPolarHBondContact O-CH2 3.41Å; L129-W144 WeakPolarHBondContact O-CZ2 3.36Å; C132-W144 HydrophobicContact CB-CD2 4.02Å; C132-W144 HydrophobicContact CB-CE3 3.5Å; C132-W144 HydrophobicContact CB-CH2 4Å; C132-W144 HydrophobicContact CB-CZ2 4.44Å; C132-W144 HydrophobicContact CB-CZ3 3.51Å; C132-W144 VanDerWaalsContact SG-CD2 3.59Å; F134-W144 HydrophobicContact CD2-CB 3.94Å; F134-W144 HydrophobicContact CD2-CG 4.19Å; F134-W144 HydrophobicContact CE2-CB 3.99Å; F134-W144 AromaticContact CE2-CD1 3.75Å; F134-W144 HydrophobicContact CE2-CG 4.08Å; L140-W144 VanDerWaalsContact O-CB 3.28Å; L140-W144 WeakPolarHBondContact O-CB 3.31Å; L140-W144 PolarHBondContact O-N 3.4Å; A141-W144 PolarHBondContact O-N 3.43Å; F142-W144 VanDerWaalsContact C-N 3.33Å; F142-W144 PolarHBondContact O-N 3.38Å; W144-L146 VanDerWaalsContact C-N 3.33Å; W144-L146 PolarHBondContact O-N 3.28Å; W144-I147 PolarHBondContact O-N 3.47Å; W144-K148 HydrophobicContact CH2-CD 3.82Å; W144-K148 HydrophobicContact CZ2-CD 4.39Å; W144-K148 HydrophobicContact CZ3-CD 4.13Å; W144-K148 PolarHBondContact O-N 3Å |
| 145 | H | 81.1 | Confident | 70.5 | Confident | 94 Ų | 94 | 105 Ų | 105 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.9 | -33.5 | 176.8 | -70.2 | 90.3 | 0 | 0 | 0 | 112.4 | C132 A141 F142 R149 | C132-H145 VanDerWaalsContact CB-CE1 3.48Å; C132-H145 WeakPolarHBondContact CB-CE1 3.49Å; A141-H145 PolarHBondContact O-N 3.07Å; A141-H145 VanDerWaalsContact O-N 3.08Å; A141-H145 PolarHBondContact O-ND1 3.14Å; F142-H145 PolarHBondContact O-N 3.41Å; H145-R149 WeakPolarHBondContact O-CG 3.42Å; H145-R149 PolarHBondContact O-N 3.13Å; H145-R149 VanDerWaalsContact O-N 3.15Å |
| 146 | L | 79.7 | Confident | 68.7 | Low | 83 Ų | 83 | 109.2 Ų | 109.2 | 44% | 0.435 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 173.3 | -172.4 | 67.3 | 0 | 0 | 0 | 111 | F142 R143 W144 R149 H150 | F142-L146 PolarHBondContact O-N 3.41Å; R143-L146 PolarHBondContact O-N 3.12Å; W144-L146 VanDerWaalsContact C-N 3.33Å; W144-L146 PolarHBondContact O-N 3.28Å; L146-R149 PolarHBondContact O-N 2.88Å; L146-H150 PolarHBondContact O-CD2 2.91Å; L146-H150 VanDerWaalsContact O-CD2 3.26Å; L146-H150 PolarHBondContact O-N 3.08Å |
| 147 | I | 79 | Confident | 67.2 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.5 | -51.9 | 175 | -67.5 | 163.8 | 0 | 0 | 0 | 110.2 | R143 W144 R149 H150 T151 | R143-I147 VanDerWaalsContact O-CG1 3.29Å; R143-I147 WeakPolarHBondContact O-CG1 3.35Å; R143-I147 PolarHBondContact O-N 2.68Å; W144-I147 PolarHBondContact O-N 3.47Å; I147-R149 PolarHBondContact O-N 2.97Å; I147-R149 VanDerWaalsContact O-N 3.08Å; I147-H150 CarbonylContact O-C 3.57Å; I147-H150 PolarHBondContact O-N 3.49Å; I147-T151 HydrophobicContact CG2-CG2 3.85Å; I147-T151 PolarHBondContact O-N 2.75Å; I147-T151 PolarHBondContact O-OG1 3.38Å; I147-T151 VanDerWaalsContact O-OG1 3.13Å |
| 148 | K | 76.3 | Confident | 65.8 | Low | 72 Ų | 72 | 101 Ų | 101 | 31% | 0.313 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -24.6 | -178 | -151.4 | -170.5 | -172.4 | -159.2 | 0 | 113.4 | D130 W144 A152 | D130-K148 PolarHBondContact O-NZ 3.33Å; D130-K148 IonicContact OD1-NZ 3.09Å; D130-K148 PolarHBondContact OD1-NZ 3.02Å; W144-K148 HydrophobicContact CH2-CD 3.82Å; W144-K148 HydrophobicContact CZ2-CD 4.39Å; W144-K148 HydrophobicContact CZ3-CD 4.13Å; W144-K148 PolarHBondContact O-N 3Å; K148-A152 PolarHBondContact O-N 3.36Å |
| 149 | R | 73.2 | Confident | 63.7 | Low | 207 Ų | 207 | 105.8 Ų | 105.8 | 78% | 0.781 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.7 | -34.7 | 171.9 | -78.3 | 176.3 | 172.7 | -174 | -3.3 | 113.7 | H145 L146 I147 | H145-R149 WeakPolarHBondContact O-CG 3.42Å; H145-R149 PolarHBondContact O-N 3.13Å; H145-R149 VanDerWaalsContact O-N 3.15Å; L146-R149 PolarHBondContact O-N 2.88Å; I147-R149 PolarHBondContact O-N 2.97Å; I147-R149 VanDerWaalsContact O-N 3.08Å |
| 150 | H | 60.9 | Low | 61.9 | Low | 155 Ų | 155 | 106.8 Ų | 106.8 | 72% | 0.718 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -96.7 | -10.4 | -178.6 | -67.6 | -70.3 | 0 | 0 | 0 | 113.9 | L146 I147 | L146-H150 PolarHBondContact O-CD2 2.91Å; L146-H150 VanDerWaalsContact O-CD2 3.26Å; L146-H150 PolarHBondContact O-N 3.08Å; I147-H150 CarbonylContact O-C 3.57Å; I147-H150 PolarHBondContact O-N 3.49Å |
| 151 | T | 66.2 | Low | 59.7 | Low | 79 Ų | 79 | 113.1 Ų | 113.1 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -113.3 | 12.7 | 176.5 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | I147 | I147-T151 HydrophobicContact CG2-CG2 3.85Å; I147-T151 PolarHBondContact O-N 2.75Å; I147-T151 PolarHBondContact O-OG1 3.38Å; I147-T151 VanDerWaalsContact O-OG1 3.13Å |
| 152 | A | 53.3 | Low | 57.6 | Low | 61 Ų | 61 | 118.3 Ų | 118.3 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -69.3 | 135.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | K148 I154 | K148-A152 PolarHBondContact O-N 3.36Å; A152-I154 PolarHBondContact O-N 3.21Å |
| 153 | P | 45.6 | Very low | 56 | Low | 123 Ų | 123 | 117.4 Ų | 117.4 | 80% | 0.799 | 58% | 0.579 | S | S | * | * | trans | -57.8 | 139.5 | 171.9 | -23.3 | 33.8 | 0 | 0 | 0 | 110.8 | S155 | P153-S155 PolarHBondContact O-N 2.87Š| ||
| 154 | I | 43.4 | Very low | 54 | Low | 150 Ų | 150 | 113.8 Ų | 113.8 | 77% | 0.769 | 58% | 0.577 | S | S | * | * | trans | -65.7 | 104.6 | 174.9 | -57.9 | 170.3 | 0 | 0 | 0 | 107.5 | A152 | A152-I154 PolarHBondContact O-N 3.21Š| ||
| 155 | S | 39.7 | Very low | 51.8 | Low | 91 Ų | 91 | 120.1 Ų | 120.1 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | trans | -70 | 136 | 171.6 | -171.3 | 0 | 0 | 0 | 0 | 109 | P153 K157 | P153-S155 PolarHBondContact O-N 2.87Å; S155-K157 PolarHBondContact O-N 3.4Å | ||
| 156 | Q | 42.6 | Very low | 49.7 | Very low | 179 Ų | 179 | 122.8 Ų | 122.8 | 84% | 0.836 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 52.2 | -176.4 | -61.9 | 176.4 | -79.1 | 0 | 0 | 112.6 | ||
| 157 | K | 37.3 | Very low | 47.8 | Very low | 155 Ų | 155 | 123.1 Ų | 123.1 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | 4.5 | 173.8 | -87.3 | -156 | 164.5 | -156.8 | 0 | 113.6 | S155 | S155-K157 PolarHBondContact O-N 3.4Š|
| 158 | A | 39 | Very low | 45.7 | Very low | 51 Ų | 51 | 127.1 Ų | 127.1 | 42% | 0.421 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -85.8 | -14.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 159 | E | 38.7 | Very low | 43.7 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81.3 | -31.1 | -174.3 | -65.5 | 175.1 | 167.1 | 0 | 0 | 112.5 | W161 I162 | E159-W161 VanDerWaalsContact C-N 3.3Å; E159-W161 PolarHBondContact O-N 3.02Å; E159-I162 PolarHBondContact O-N 3.48Å |
| 160 | E | 38.5 | Very low | 41.8 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.9 | -22.8 | -179.4 | -66.3 | -177.5 | 123.2 | 0 | 0 | 114.1 | ||
| 161 | W | 33.8 | Very low | 40.3 | Very low | 220 Ų | 220 | 132.1 Ų | 132.1 | 83% | 0.833 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -93.6 | -17.2 | 179.1 | -78.3 | -23.2 | 0 | 0 | 0 | 114.7 | E159 | E159-W161 VanDerWaalsContact C-N 3.3Å; E159-W161 PolarHBondContact O-N 3.02Å |
| 162 | I | 39.3 | Very low | 38.7 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 59% | 0.59 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -87.7 | -25.3 | 179.5 | -63 | 174.3 | 0 | 0 | 0 | 111.4 | E159 | E159-I162 PolarHBondContact O-N 3.48Å |
| 163 | I | 44.2 | Very low | 37.5 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 68% | 0.677 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -21.8 | -179.4 | -64.8 | 172 | 0 | 0 | 0 | 112.3 | ||
| 164 | A | 37.7 | Very low | 36.6 | Very low | 55 Ų | 55 | 145 Ų | 145 | 46% | 0.455 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | -52.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L166 S167 | A164-L166 PolarHBondContact O-N 3.25Å; A164-L166 VanDerWaalsContact O-N 3.11Å; A164-S167 PolarHBondContact O-N 2.92Å; A164-S167 PolarHBondContact O-OG 3.43Å |
| 165 | D | 39.3 | Very low | 36 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -5.3 | -170.5 | -82.2 | -1.8 | 0 | 0 | 0 | 115.2 | ||
| 166 | L | 36.9 | Very low | 35.5 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 11 | -179.8 | -66.6 | 174.6 | 0 | 0 | 0 | 113.7 | A164 | A164-L166 PolarHBondContact O-N 3.25Å; A164-L166 VanDerWaalsContact O-N 3.11Å |
| 167 | S | 38.8 | Very low | 34.8 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -111.1 | 3.6 | -175.5 | 66 | 0 | 0 | 0 | 0 | 115.3 | A164 | A164-S167 PolarHBondContact O-N 2.92Å; A164-S167 PolarHBondContact O-OG 3.43Å |
| 168 | Q | 35.7 | Very low | 34.5 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -143.5 | 78.2 | 179.7 | -65.9 | -172.2 | 0.9 | 0 | 0 | 111.6 | ||
| 169 | N | 32.8 | Very low | 34.1 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -160.2 | 13.4 | 167.5 | -110 | -35.3 | 0 | 0 | 0 | 116.9 | ||
| 170 | E | 33.4 | Very low | 33.7 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -138 | 89.4 | 170.1 | -70.9 | -166.7 | 130.7 | 0 | 0 | 111.1 | ||||
| 171 | E | 30.3 | Very low | 33.4 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -169.7 | 146.4 | 149 | -115.6 | 178.5 | -142.9 | 0 | 0 | 112.2 | ||||
| 172 | K | 31.3 | Very low | 33.3 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | trans | 59.1 | 104.2 | 171.6 | -74.7 | -178.3 | 171.8 | 178.1 | 0 | 119.6 | ||||
| 173 | E | 29.5 | Very low | 32.9 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | trans | -118.7 | 98.9 | 143.3 | -175.6 | -177.5 | 174.1 | 0 | 0 | 108.2 | ||||
| 174 | D | 27.1 | Very low | 32.1 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | -161.3 | 147.9 | 164 | -152.7 | -10.1 | 0 | 0 | 0 | 112.9 | ||||
| 175 | Q | 30.2 | Very low | 31.6 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | trans | 56.9 | 107.5 | 167.3 | -96.2 | 132.2 | 92.9 | 0 | 0 | 121.7 | ||||
| 176 | L | 28.9 | Very low | 31.2 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | 45.5 | 128.2 | 121.4 | -63.8 | 169.6 | 0 | 0 | 0 | 120.9 | |||||
| 177 | G | 28.9 | Very low | 30.8 | Very low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 163.7 | 81 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 178 | D | 29.4 | Very low | 30.2 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 54 | 137.5 | 138.9 | -46.5 | -23.4 | 0 | 0 | 0 | 124.1 | ||||
| 179 | D | 31.1 | Very low | 30.3 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | 64.8 | 138.3 | 140.7 | -68.1 | -3.4 | 0 | 0 | 0 | 122.7 | ||||
| 180 | E | 31.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | cis | -165.1 | -167.5 | -12.8 | -150.8 | -134 | 121.5 | 0 | 0 | 110.8 | ||||
| 181 | I | 31 | Very low | 29.8 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | 82 | 96.1 | 163.1 | -48.2 | -168.3 | 0 | 0 | 0 | 119.8 | ||||
| 182 | A | 31.9 | Very low | 29.5 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | 61.7 | 146 | 130.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 183 | S | 30.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | cis | -168.3 | 150.8 | -12 | -104.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 184 | G | 27.4 | Very low | 28.8 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | 98.9 | 124.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 185 | G | 28.7 | Very low | 28.7 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | 160.4 | 122.5 | -10.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 186 | T | 31 | Very low | 28.4 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 56.2 | 146.9 | 160 | 42.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 187 | D | 26.9 | Very low | 28.1 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | cis | -135.4 | 163.3 | 16.7 | -119.3 | -33.1 | 0 | 0 | 0 | 115.4 | ||||
| 188 | S | 26.3 | Very low | 27.9 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -126.4 | -165.4 | 179 | -72 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 189 | P | 39.2 | Very low | 27.7 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | cis | -132.4 | 176 | -5.9 | 41.3 | -24.2 | 0 | 0 | 0 | 115.9 | ||||
| 190 | S | 28.8 | Very low | 27.5 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -91.3 | 162 | 164.6 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 191 | Q | 26.7 | Very low | 27.4 | Very low | 173 Ų | 173 | 117.3 Ų | 117.3 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -172.9 | 130.7 | 143.7 | -104.2 | 157.7 | 69.6 | 0 | 0 | 108.6 | ||||
| 192 | S | 22.8 | Very low | 27.3 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | 56.6 | 145.1 | 95.2 | 84.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 193 | C | 24.5 | Very low | 27 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | cis | -161.5 | 163.4 | 29.1 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 194 | D | 21.6 | Very low | 27 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 22.5 | 155.2 | 141.2 | -97 | -50.5 | 0 | 0 | 0 | 127 | ||||
| 195 | L | 24.9 | Very low | 27 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | 78 | 106 | 147.8 | -71.6 | 167.3 | 0 | 0 | 0 | 123.7 | ||||
| 196 | T | 24.3 | Very low | 27 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 72.5 | 147.1 | 127.2 | 53.6 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 197 | D | 22 | Very low | 26.9 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | 89.5 | 174.8 | 152 | -134.5 | -9.3 | 0 | 0 | 0 | 119.4 | ||||
| 198 | S | 25.3 | Very low | 26.8 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | -135.2 | -165.3 | -127.1 | 65.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 199 | S | 26.4 | Very low | 27.1 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 77.9 | 157.2 | -179.9 | 87.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 200 | S | 26.8 | Very low | 26.6 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -171.2 | 151.3 | -26.5 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 201 | S | 29.2 | Very low | 26.6 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 73.3 | 163.3 | 159.5 | 85.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 202 | R | 28.1 | Very low | 26.6 | Very low | 238 Ų | 238 | 130.8 Ų | 130.8 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | cis | -159.1 | 143.3 | 8.1 | -156 | 165.7 | 170.6 | -179.1 | -5 | 115.4 | ||||
| 203 | G | 26.5 | Very low | 26.9 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 88.8 | 162.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 204 | D | 28.8 | Very low | 27.1 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | cis | -166 | 171.7 | -25.5 | -160.9 | 4.7 | 0 | 0 | 0 | 110.1 | ||||
| 205 | S | 28.9 | Very low | 27.4 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | 75.9 | 144.8 | 172.8 | -63.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 206 | R | 29 | Very low | 27.8 | Very low | 234 Ų | 234 | 137.7 Ų | 137.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | cis | 147.9 | 143.6 | -9.5 | 162.6 | -170.2 | 167.5 | 156.8 | -1.1 | 106.1 | ||||
| 207 | A | 28.1 | Very low | 27.9 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | cis | -171.5 | -161.7 | -20.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 208 | E | 25.4 | Very low | 28.3 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 71.9 | 121.5 | 175.7 | -50.7 | -69 | 91.3 | 0 | 0 | 115.5 | ||||
| 209 | L | 30.8 | Very low | 28.6 | Very low | 142 Ų | 142 | 138 Ų | 138 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | 102.7 | 161.9 | 12.9 | -155.7 | 135.5 | 0 | 0 | 0 | 115.3 | T211 | L209-T211 HydrophobicContact CD2-CG2 4.04Å; L209-T211 HydrophobicContact CG-CG2 4.42Å | ||
| 210 | V | 29.1 | Very low | 28.8 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | 95.8 | 106.9 | -168.7 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 211 | T | 28.8 | Very low | 29 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | cis | 89.4 | 104.2 | 29.7 | 78.5 | 0 | 0 | 0 | 0 | 116.6 | L209 | L209-T211 HydrophobicContact CD2-CG2 4.04Å; L209-T211 HydrophobicContact CG-CG2 4.42Å | ||
| 212 | S | 27.8 | Very low | 29.2 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -137.6 | 164.9 | 163.2 | 63.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 213 | K | 28.2 | Very low | 29.4 | Very low | 195 Ų | 195 | 137 Ų | 137 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -167 | 155 | -166.8 | -151.2 | 170.6 | -179.9 | 174.6 | 0 | 113.7 | ||||
| 214 | V | 29.6 | Very low | 29.8 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 72.6 | 143.1 | 169.1 | -166.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 215 | G | 28.3 | Very low | 29.8 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | cis | 151.7 | 164.1 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 216 | R | 31.9 | Very low | 30.2 | Very low | 242 Ų | 242 | 141.9 Ų | 141.9 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | 86.2 | 111.4 | 167.7 | -64.2 | -176.6 | 158.9 | -146 | -5.8 | 121.5 | ||||
| 217 | S | 26.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | 50.3 | 122.5 | 120.7 | 178.7 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 218 | S | 29.7 | Very low | 30.4 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | -177.1 | 156.6 | 62.6 | 58.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 219 | K | 31.8 | Very low | 30.8 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 74.7 | 122.7 | 148.1 | -79.2 | -163.6 | 147.5 | -70.5 | 0 | 123 | ||||
| 220 | D | 31.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 57% | 0.572 | 78% | 0.778 | S | S | * | * | 80 | 118.7 | 126.5 | -60.8 | 13.1 | 0 | 0 | 0 | 122.8 | |||||
| 221 | E | 31.6 | Very low | 31 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 55.8 | 104.9 | 145.4 | -46.6 | -46.9 | 101 | 0 | 0 | 123.2 | ||||
| 222 | S | 32.5 | Very low | 31.1 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | -169.1 | 152.1 | 121.7 | 11.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 223 | D | 33.1 | Very low | 31.7 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -87.8 | 174.6 | -172 | -61.4 | -81.2 | 0 | 0 | 0 | 116.2 | ||||
| 224 | M | 33.3 | Very low | 31.7 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | 96.9 | 82.8 | 155.8 | -57.2 | -59.6 | 163.7 | 0 | 0 | 120.3 | ||||
| 225 | D | 29.8 | Very low | 32 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 93.3 | 110.7 | 111.8 | -148.3 | 21.1 | 0 | 0 | 0 | 121.6 | |||||
| 226 | S | 37.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 37.9 | 110 | 157.9 | -152.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 227 | D | 29.1 | Very low | 32.6 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -83.2 | 176.8 | 161 | -68.3 | -58.3 | 0 | 0 | 0 | 113.8 | ||||
| 228 | D | 31.2 | Very low | 33.3 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -58.9 | -170.8 | 159.3 | -55 | -91.8 | 0 | 0 | 0 | 113.4 | ||||
| 229 | E | 35.5 | Very low | 34 | Very low | 165 Ų | 165 | 148 Ų | 148 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | cis | -163.3 | 163.8 | 13.6 | -153.5 | -171.2 | -161.1 | 0 | 0 | 111.7 | ||||
| 230 | V | 35.2 | Very low | 34.3 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | 68.7 | 164.4 | 150.9 | 105.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 231 | I | 27.7 | Very low | 34.4 | Very low | 139 Ų | 139 | 153 Ų | 153 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | -152.2 | 156.7 | 50.6 | -25 | -179.2 | 0 | 0 | 0 | 112.9 | |||||
| 232 | T | 31.8 | Very low | 34.6 | Very low | 124 Ų | 124 | 154.6 Ų | 154.6 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | 73.9 | 115.2 | 152.2 | 24.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 233 | L | 39.9 | Very low | 34.9 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -73.7 | 145.5 | 144.1 | -67.5 | 166.1 | 0 | 0 | 0 | 110.1 | ||||
| 234 | C | 27.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 91% | 0.905 | 81% | 0.806 | S | S | * | * | trans | -156.5 | 139.8 | 155.4 | -141.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 235 | T | 35.8 | Very low | 34.7 | Very low | 137 Ų | 137 | 156.5 Ų | 156.5 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -89.7 | 137.2 | -176.1 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 236 | S | 32.3 | Very low | 34.8 | Very low | 106 Ų | 106 | 156.4 Ų | 156.4 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -158.1 | 135.1 | 147.3 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 237 | S | 40.7 | Very low | 34.6 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -79.5 | 124.1 | 169.6 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 238 | R | 42 | Very low | 34.8 | Very low | 230 Ų | 230 | 157.1 Ų | 157.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -122.4 | 102.7 | 168.3 | -86.9 | -171.7 | 168.5 | -173.1 | -2.9 | 112.3 | R240 | R238-R240 PolarHBondContact O-N 2.96Å; R238-R240 VanDerWaalsContact O-N 3.12Å | ||
| 239 | K | 43.8 | Very low | 35.4 | Very low | 209 Ų | 209 | 158 Ų | 158 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -51.9 | 106.3 | 165.3 | -170 | 176.3 | -174.7 | 177.9 | 0 | 109.1 | ||||
| 240 | R | 37.7 | Very low | 35.8 | Very low | 240 Ų | 240 | 159.1 Ų | 159.1 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 130.2 | 178.7 | -179.2 | 170.4 | 166.6 | 140.9 | -3.8 | 110.2 | R238 | R238-R240 PolarHBondContact O-N 2.96Å; R238-R240 VanDerWaalsContact O-N 3.12Å |
| 241 | N | 34.5 | Very low | 36.1 | Very low | 139 Ų | 139 | 161.3 Ų | 161.3 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 145.4 | -174.3 | -58 | -22.7 | 0 | 0 | 0 | 111.5 | ||
| 242 | K | 36.3 | Very low | 36.8 | Very low | 199 Ų | 199 | 163 Ų | 163 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 131.8 | 167.6 | -63.7 | -175.2 | 179.5 | -177.5 | 0 | 108.9 | K244 | K242-K244 PolarHBondContact O-N 3.44Š|
| 243 | P | 37.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 168.6 Ų | 168.6 | 62% | 0.617 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 130.5 | 161.5 | 29.2 | -31.6 | 0 | 0 | 0 | 108.7 | W245 | P243-W245 PolarHBondContact O-N 3.38Š|
| 244 | K | 30 | Very low | 37.6 | Very low | 167 Ų | 167 | 169.2 Ų | 169.2 | 73% | 0.726 | 83% | 0.834 | S | S | * | * | trans | -83.3 | 106.6 | 168.5 | -172.4 | -164.2 | -176.4 | -163.9 | 0 | 106.9 | K242 E246 | K242-K244 PolarHBondContact O-N 3.44Å; K244-E246 HydrophobicContact CD-CG 4.32Å; K244-E246 WeakPolarHBondContact CE-OE1 3.39Å; K244-E246 IonicContact NZ-OE1 3.44Å; K244-E246 PolarHBondContact NZ-OE1 3.46Å | ||
| 245 | W | 31.6 | Very low | 38.1 | Very low | 216 Ų | 216 | 171.9 Ų | 171.9 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -89.4 | 122 | 164.1 | -62.2 | 103.8 | 0 | 0 | 0 | 107.2 | P243 | P243-W245 PolarHBondContact O-N 3.38Š| ||
| 246 | E | 33.4 | Very low | 38.4 | Very low | 151 Ų | 151 | 171.4 Ų | 171.4 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | trans | -84.3 | 135.1 | 164.8 | -70.4 | 169.1 | 166.1 | 0 | 0 | 106.6 | K244 | K244-E246 HydrophobicContact CD-CG 4.32Å; K244-E246 WeakPolarHBondContact CE-OE1 3.39Å; K244-E246 IonicContact NZ-OE1 3.44Å; K244-E246 PolarHBondContact NZ-OE1 3.46Å | ||
| 247 | T | 32.7 | Very low | 38.9 | Very low | 119 Ų | 119 | 171.7 Ų | 171.7 | 73% | 0.73 | 83% | 0.829 | S | S | * | * | trans | -112 | 122.8 | -175.8 | -57.8 | 0 | 0 | 0 | 0 | 107.7 | D249 | T247-D249 PolarHBondContact O-N 2.9Š| ||
| 248 | D | 32.9 | Very low | 39.3 | Very low | 159 Ų | 159 | 169.3 Ų | 169.3 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -66.3 | 125.5 | 177.4 | -64.1 | -55.8 | 0 | 0 | 0 | 110.9 | E250 | D248-E250 VanDerWaalsContact C-N 3.34Å; D248-E250 PolarHBondContact O-N 2.99Å | ||
| 249 | D | 43.4 | Very low | 39.5 | Very low | 168 Ų | 168 | 167.5 Ų | 167.5 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -93.8 | 32.3 | -156.3 | -141.7 | -24.2 | 0 | 0 | 0 | 113.9 | T247 | T247-D249 PolarHBondContact O-N 2.9Š|
| 250 | E | 43.9 | Very low | 39.6 | Very low | 189 Ų | 189 | 163.6 Ų | 163.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -139.1 | 25.4 | -166.2 | -142.5 | -177.9 | 158.1 | 0 | 0 | 116.8 | D248 | D248-E250 VanDerWaalsContact C-N 3.34Å; D248-E250 PolarHBondContact O-N 2.99Å |
| 251 | L | 42.6 | Very low | 40.6 | Very low | 165 Ų | 165 | 157.7 Ų | 157.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -140.4 | 11 | 176.6 | -109.7 | 177.3 | 0 | 0 | 0 | 117.9 | ||
| 252 | L | 40.9 | Very low | 41.7 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -125.9 | 61.6 | -178.9 | -69.9 | 176.4 | 0 | 0 | 0 | 113.7 | ||||
| 253 | R | 43.9 | Very low | 43 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | -111.5 | 132.1 | 161 | -70.3 | -173.8 | -179.1 | 166.3 | 5 | 109.8 | ||||
| 254 | M | 45.9 | Very low | 44.6 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 91% | 0.906 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 65.1 | 83.2 | -179 | -59.5 | 175.1 | 56.3 | 0 | 0 | 115.7 | ||
| 255 | E | 37 | Very low | 46.9 | Very low | 190 Ų | 190 | 143.2 Ų | 143.2 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | -144.5 | 132.7 | 103.6 | -72.8 | -152.3 | 145.8 | 0 | 0 | 109.1 | |||||
| 256 | T | 43.4 | Very low | 49.3 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 129.5 | 166.6 | 50.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 257 | P | 42.5 | Very low | 51.9 | Low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.3 | -179 | 23.3 | -33.6 | 0 | 0 | 0 | 110.4 | K259 | P257-K259 PolarHBondContact O-N 3.34Š|
| 258 | P | 48.1 | Very low | 54.7 | Low | 79 Ų | 79 | 131.4 Ų | 131.4 | 51% | 0.513 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 129.5 | -175.4 | -27.2 | 34.5 | 0 | 0 | 0 | 112 | Y260 | P258-Y260 HydrophobicContact CB-CD1 4.44Å; P258-Y260 HydrophobicContact CB-CD2 4.4Å; P258-Y260 HydrophobicContact CB-CE1 3.99Å; P258-Y260 HydrophobicContact CB-CE2 3.96Å; P258-Y260 HydrophobicContact CG-CE2 4.44Å; P258-Y260 WeakPolarHBondContact O-CD2 3.28Å; P258-Y260 PolarHBondContact O-N 2.98Å |
| 259 | K | 47.9 | Very low | 57.4 | Low | 192 Ų | 192 | 125 Ų | 125 | 84% | 0.835 | 62% | 0.62 | S | S | * | * | trans | -77.8 | 70.6 | 176.8 | -69.7 | -180 | 179.4 | 173.8 | 0 | 110 | P257 H261 | P257-K259 PolarHBondContact O-N 3.34Å; K259-H261 PolarHBondContact O-N 3.32Å | ||
| 260 | Y | 46 | Very low | 59.9 | Low | 127 Ų | 127 | 117.9 Ų | 117.9 | 50% | 0.498 | 58% | 0.582 | S | S | . | * | trans | -54.4 | 110.3 | 177.6 | -59.3 | -73.5 | 0 | 0 | 0 | 110.6 | P258 T262 | P258-Y260 HydrophobicContact CB-CD1 4.44Å; P258-Y260 HydrophobicContact CB-CD2 4.4Å; P258-Y260 HydrophobicContact CB-CE1 3.99Å; P258-Y260 HydrophobicContact CB-CE2 3.96Å; P258-Y260 HydrophobicContact CG-CE2 4.44Å; P258-Y260 WeakPolarHBondContact O-CD2 3.28Å; P258-Y260 PolarHBondContact O-N 2.98Å; Y260-T262 PolarHBondContact O-N 3.01Å | ||
| 261 | H | 57.8 | Low | 62.2 | Low | 117 Ų | 117 | 109.1 Ų | 109.1 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 106.1 | 172.3 | -168.9 | 85.9 | 0 | 0 | 0 | 109 | K259 I429 | K259-H261 PolarHBondContact O-N 3.32Å; H261-I429 HydrophobicContact CB-CB 4.42Å; H261-I429 PolarHBondContact O-N 3.41Å |
| 262 | T | 58.2 | Low | 64.5 | Low | 74 Ų | 74 | 104.4 Ų | 104.4 | 45% | 0.454 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 101.1 | 176.8 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | Y260 V426 L427 R428 | Y260-T262 PolarHBondContact O-N 3.01Å; T262-V426 HydrophobicContact CG2-CG1 3.84Å; T262-L427 WeakPolarHBondContact CA-O 3.48Å; T262-R428 HydrophobicContact CG2-CG 4.34Å |
| 263 | Q | 63.2 | Low | 67 | Low | 89 Ų | 89 | 96.2 Ų | 96.2 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 132 | 168.8 | -175.3 | 172.5 | -44.8 | 0 | 0 | 109.2 | D265 V426 L427 | Q263-D265 PolarHBondContact NE2-OD1 3.34Å; Q263-V426 CarbonylContact O-C 3.58Å; Q263-V426 WeakPolarHBondContact O-CA 3.38Å; Q263-L427 PolarHBondContact N-O 3.48Å; Q263-L427 PolarHBondContact O-N 3.02Å |
| 264 | I | 71.3 | Confident | 69.4 | Low | 72 Ų | 72 | 84.9 Ų | 84.9 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 110.3 | 176.4 | -52.3 | -178 | 0 | 0 | 0 | 107.9 | Y266 K423 V426 | I264-Y266 HydrophobicContact CB-CE2 4.03Å; I264-Y266 HydrophobicContact CG2-CD2 4.33Å; I264-Y266 HydrophobicContact CG2-CE2 3.69Å; I264-Y266 VanDerWaalsContact O-CD2 3.3Å; I264-Y266 WeakPolarHBondContact O-CD2 3.5Å; I264-Y266 WeakPolarHBondContact O-CE2 2.99Å; I264-K423 HydrophobicContact CG2-CG 4.22Å; I264-V426 HydrophobicContact CG1-CG1 4.45Å; I264-V426 HydrophobicContact CG1-CG2 4.24Å |
| 265 | D | 77.8 | Confident | 71.7 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 33% | 0.326 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132.7 | 178.8 | -65.8 | -37.1 | 0 | 0 | 0 | 111 | Q263 V424 R425 | Q263-D265 PolarHBondContact NE2-OD1 3.34Å; D265-V424 PolarHBondContact O-N 3.36Å; D265-R425 PolarHBondContact N-O 3.39Å |
| 266 | Y | 83.3 | Confident | 74.5 | Confident | 102 Ų | 102 | 74.3 Ų | 74.3 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.9 | -179 | -65.5 | -97.7 | 0 | 0 | 0 | 110.5 | I264 K421 S422 K423 | I264-Y266 HydrophobicContact CB-CE2 4.03Å; I264-Y266 HydrophobicContact CG2-CD2 4.33Å; I264-Y266 HydrophobicContact CG2-CE2 3.69Å; I264-Y266 VanDerWaalsContact O-CD2 3.3Å; I264-Y266 WeakPolarHBondContact O-CD2 3.5Å; I264-Y266 WeakPolarHBondContact O-CE2 2.99Å; Y266-K421 HydrophobicContact CD1-CB 3.88Å; Y266-S422 CarbonylContact C-O 3.58Å; Y266-S422 VanDerWaalsContact CA-O 3.32Å; Y266-S422 WeakPolarHBondContact CA-O 3.35Å; Y266-K423 HydrophobicContact CD1-CG 3.77Å; Y266-K423 HydrophobicContact CE1-CD 4.09Å; Y266-K423 HydrophobicContact CE1-CG 3.36Å; Y266-K423 WeakPolarHBondContact OH-CE 3.24Å |
| 267 | V | 87.8 | Confident | 77 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.1 | 168.7 | 172.1 | 0 | 0 | 0 | 0 | 109 | S422 V424 | V267-S422 PolarHBondContact N-O 3.12Å; V267-S422 PolarHBondContact O-N 3.28Å; V267-V424 HydrophobicContact CB-CG2 3.77Å; V267-V424 HydrophobicContact CG2-CB 4.29Å; V267-V424 HydrophobicContact CG2-CG2 3.54Å |
| 268 | H | 89.9 | Confident | 79.5 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.5 | 179.1 | -64.1 | -104.4 | 0 | 0 | 0 | 109.3 | Y399 H419 Y420 | H268-Y399 HydrophobicContact CB-CD1 3.66Å; H268-Y399 HydrophobicContact CB-CD2 4.03Å; H268-Y399 HydrophobicContact CB-CE1 3.41Å; H268-Y399 VanDerWaalsContact CB-CE1 3.41Å; H268-Y399 HydrophobicContact CB-CE2 3.81Å; H268-Y399 HydrophobicContact CB-CG 3.95Å; H268-Y399 VanDerWaalsContact CB-CZ 3.48Å; H268-Y399 AromaticContact CG-CZ 3.95Å; H268-Y399 VanDerWaalsContact O-CB 3.24Å; H268-Y399 WeakPolarHBondContact O-CB 3.33Å; H268-H419 AromaticContact CE1-NE2 3.65Å; H268-H419 AromaticContact CG-CD2 3.87Å; H268-H419 AromaticContact ND1-CD2 3.11Å; H268-H419 PolarHBondContact ND1-CD2 3.19Å; H268-H419 AromaticContact ND1-CE1 3.9Å; H268-H419 AromaticContact ND1-NE2 2.92Å; H268-H419 PolarHBondContact ND1-NE2 3.41Å; H268-Y420 WeakPolarHBondContact CA-O 3.48Å |
| 269 | C | 91.4 | Very high | 81.7 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.4 | -179.6 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | H419 Y420 | C269-H419 CarbonylContact O-C 3.58Å; C269-H419 WeakPolarHBondContact O-CA 3.38Å; C269-H419 VanDerWaalsContact O-CB 3.29Å; C269-H419 WeakPolarHBondContact O-CB 3.46Å; C269-Y420 HydrophobicContact CB-CD1 4.31Å; C269-Y420 HydrophobicContact CB-CD2 3.97Å; C269-Y420 HydrophobicContact CB-CE1 3.84Å; C269-Y420 HydrophobicContact CB-CE2 3.48Å; C269-Y420 VanDerWaalsContact CB-CE2 3.48Å; C269-Y420 HydrophobicContact CB-CG 4.38Å; C269-Y420 VanDerWaalsContact CB-CZ 3.42Å; C269-Y420 PolarHBondContact N-O 2.97Å; C269-Y420 WeakPolarHBondContact O-CD1 3.42Å; C269-Y420 PolarHBondContact O-N 3.38Å |
| 270 | L | 94.1 | Very high | 84 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 149.1 | 169.6 | -64.6 | 174.4 | 0 | 0 | 0 | 109.7 | P272 C394 T397 Y399 I402 Y420 | L270-P272 WeakPolarHBondContact O-CD 3.43Å; L270-C394 HydrophobicContact CD1-CB 4.29Å; L270-T397 HydrophobicContact CD1-CG2 4.33Å; L270-Y399 HydrophobicContact CD2-CD2 4.02Å; L270-Y399 HydrophobicContact CG-CD2 4.39Å; L270-I402 HydrophobicContact CD1-CD1 3.96Å; L270-I402 HydrophobicContact CD2-CD1 3.98Å; L270-I402 HydrophobicContact CG-CD1 4.47Å; L270-Y420 WeakPolarHBondContact O-CE1 3.49Å |
| 271 | V | 94.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | trans | -62.5 | 120.2 | 168.5 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | D273 L274 I277 L315 F316 I353 Y418 Y420 | V271-D273 VanDerWaalsContact C-N 3.31Å; V271-D273 PolarHBondContact O-N 3.47Å; V271-L274 HydrophobicContact CB-CB 4.28Å; V271-L274 HydrophobicContact CG1-CB 4.43Å; V271-I277 HydrophobicContact CG1-CD1 3.89Å; V271-L315 HydrophobicContact CG2-CD1 3.22Å; V271-F316 HydrophobicContact CG1-CE2 4.24Å; V271-F316 HydrophobicContact CG2-CE2 4.05Å; V271-I353 HydrophobicContact CG1-CD1 4.19Å; V271-Y418 PolarHBondContact N-O 2.92Å; V271-Y420 HydrophobicContact CG2-CD1 4.5Å | ||
| 272 | P | 89.9 | Confident | 88.1 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -42.8 | -176.3 | 24.8 | -33.6 | 0 | 0 | 0 | 110.9 | L270 L274 F338 | L270-P272 WeakPolarHBondContact O-CD 3.43Å; P272-L274 VanDerWaalsContact C-N 3.28Å; P272-L274 PolarHBondContact O-N 2.77Å; P272-F338 HydrophobicContact CG-CE2 4.36Å |
| 273 | D | 92.8 | Very high | 90 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 11.1 | -171 | -159.2 | 33.8 | 0 | 0 | 0 | 115 | V271 L275 Q276 I277 D352 T354 | V271-D273 VanDerWaalsContact C-N 3.31Å; V271-D273 PolarHBondContact O-N 3.47Å; D273-L275 PolarHBondContact O-N 2.86Å; D273-Q276 PolarHBondContact O-N 2.96Å; D273-Q276 WeakPolarHBondContact OD1-CB 3.26Å; D273-Q276 VanDerWaalsContact OD1-CD 3.3Å; D273-Q276 WeakPolarHBondContact OD1-CG 3.32Å; D273-Q276 PolarHBondContact OD1-NE2 2.82Å; D273-I277 HydrophobicContact CB-CD1 4.19Å; D273-I277 HydrophobicContact CB-CG1 4.47Å; D273-I277 WeakPolarHBondContact O-CG1 3.06Å; D273-I277 PolarHBondContact O-N 3.11Å; D273-D352 HydrophobicContact CB-CB 4.18Å; D273-T354 WeakPolarHBondContact OD2-CB 3.44Å; D273-T354 PolarHBondContact OD2-N 3.49Å; D273-T354 PolarHBondContact OD2-OG1 3.22Å |
| 274 | L | 94.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.1 | -29.8 | -168.6 | -175 | 63.3 | 0 | 0 | 0 | 113.6 | V271 P272 N278 F316 T391 C394 Y418 | V271-L274 HydrophobicContact CB-CB 4.28Å; V271-L274 HydrophobicContact CG1-CB 4.43Å; P272-L274 VanDerWaalsContact C-N 3.28Å; P272-L274 PolarHBondContact O-N 2.77Å; L274-N278 WeakPolarHBondContact O-CB 3.19Å; L274-N278 PolarHBondContact O-N 3.31Å; L274-N278 PolarHBondContact O-ND2 3.21Å; L274-F316 HydrophobicContact CD1-CZ 4.24Å; L274-T391 HydrophobicContact CG-CG2 4.29Å; L274-C394 HydrophobicContact CD2-CB 3.96Å; L274-Y418 HydrophobicContact CD1-CD2 3.74Å; L274-Y418 HydrophobicContact CD1-CE2 4.35Å; L274-Y418 HydrophobicContact CD1-CG 3.89Å; L274-Y418 HydrophobicContact CD2-CD2 3.92Å; L274-Y418 HydrophobicContact CD2-CG 4.32Å; L274-Y418 HydrophobicContact CG-CD2 4.47Å |
| 275 | L | 95.2 | Very high | 92.8 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.2 | -42 | 176.9 | -175.9 | 58.7 | 0 | 0 | 0 | 112.7 | D273 N278 N279 V392 N395 | D273-L275 PolarHBondContact O-N 2.86Å; L275-N278 PolarHBondContact O-N 2.8Å; L275-N279 VanDerWaalsContact O-CG 3.24Å; L275-N279 PolarHBondContact O-N 2.79Å; L275-N279 PolarHBondContact O-ND2 2.8Å; L275-V392 HydrophobicContact CD1-CG2 4.18Å; L275-N395 HydrophobicContact CB-CB 4.12Å; L275-N395 VanDerWaalsContact CB-OD1 3.26Å; L275-N395 WeakPolarHBondContact CB-OD1 3.48Å; L275-N395 HydrophobicContact CD2-CB 3.93Å; L275-N395 WeakPolarHBondContact CD2-OD1 3.26Å |
| 276 | Q | 95.5 | Very high | 93.6 | Very high | 115 Ų | 115 | 42.8 Ų | 42.8 | 54% | 0.537 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.5 | -41 | 177.9 | -50.7 | -165 | 85.7 | 0 | 0 | 110.8 | D273 N278 N279 N280 | D273-Q276 PolarHBondContact O-N 2.96Å; D273-Q276 WeakPolarHBondContact OD1-CB 3.26Å; D273-Q276 VanDerWaalsContact OD1-CD 3.3Å; D273-Q276 WeakPolarHBondContact OD1-CG 3.32Å; D273-Q276 PolarHBondContact OD1-NE2 2.82Å; Q276-N278 PolarHBondContact O-N 2.9Å; Q276-N279 PolarHBondContact O-N 2.98Å; Q276-N279 VanDerWaalsContact O-N 3.1Å; Q276-N280 WeakPolarHBondContact O-CB 3.38Å; Q276-N280 PolarHBondContact O-N 2.83Å |
| 277 | I | 95.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -49.4 | -43.9 | 169.4 | -69.9 | 160.5 | 0 | 0 | 0 | 111 | V271 D273 N280 Y283 L306 F316 I353 | V271-I277 HydrophobicContact CG1-CD1 3.89Å; D273-I277 HydrophobicContact CB-CD1 4.19Å; D273-I277 HydrophobicContact CB-CG1 4.47Å; D273-I277 WeakPolarHBondContact O-CG1 3.06Å; D273-I277 PolarHBondContact O-N 3.11Å; I277-N280 PolarHBondContact O-N 3.48Å; I277-Y283 HydrophobicContact CG2-CD1 3.88Å; I277-Y283 HydrophobicContact CG2-CD2 3.88Å; I277-Y283 HydrophobicContact CG2-CE1 4.1Å; I277-Y283 HydrophobicContact CG2-CE2 4.09Å; I277-Y283 HydrophobicContact CG2-CG 3.76Å; I277-Y283 WeakPolarHBondContact O-CB 3.41Å; I277-L306 HydrophobicContact CG2-CD2 3.78Å; I277-F316 HydrophobicContact CD1-CE2 4.15Å; I277-F316 HydrophobicContact CD1-CZ 4.18Å; I277-F316 HydrophobicContact CG2-CE1 4.49Å; I277-I353 HydrophobicContact CD1-CB 3.96Å; I277-I353 HydrophobicContact CD1-CD1 4.01Å; I277-I353 HydrophobicContact CD1-CG1 4.48Å; I277-I353 HydrophobicContact CD1-CG2 4.13Å; I277-I353 HydrophobicContact CG1-CB 4.29Å; I277-I353 HydrophobicContact CG1-CG2 4.16Å |
| 278 | N | 95.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -76.3 | -28.6 | -178.1 | -92.2 | -91.4 | 0 | 0 | 0 | 114.8 | L274 L275 Q276 R379 F383 H387 T391 | L274-N278 WeakPolarHBondContact O-CB 3.19Å; L274-N278 PolarHBondContact O-N 3.31Å; L274-N278 PolarHBondContact O-ND2 3.21Å; L275-N278 PolarHBondContact O-N 2.8Å; Q276-N278 PolarHBondContact O-N 2.9Å; N278-R379 PolarHBondContact O-NH2 3.39Å; N278-F383 WeakPolarHBondContact OD1-CD2 3.36Å; N278-F383 WeakPolarHBondContact OD1-CE2 2.96Å; N278-H387 PolarHBondContact ND2-NE2 3.22Å; N278-H387 PolarHBondContact OD1-CD2 3.25Å; N278-H387 PolarHBondContact OD1-NE2 3.06Å; N278-T391 HydrophobicContact CB-CG2 3.89Å; N278-T391 VanDerWaalsContact ND2-CG2 3.35Å; N278-T391 WeakPolarHBondContact ND2-CG2 3.49Å |
| 279 | N | 94.8 | Very high | 94.8 | Very high | 119 Ų | 119 | 39.8 Ų | 39.8 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -78.2 | -23.8 | 173.4 | -65.6 | -25 | 0 | 0 | 0 | 111.9 | L275 Q276 | L275-N279 VanDerWaalsContact O-CG 3.24Å; L275-N279 PolarHBondContact O-N 2.79Å; L275-N279 PolarHBondContact O-ND2 2.8Å; Q276-N279 PolarHBondContact O-N 2.98Å; Q276-N279 VanDerWaalsContact O-N 3.1Å |
| 280 | N | 94.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -68.7 | 122.5 | 177.7 | -169 | -28 | 0 | 0 | 0 | 110.8 | Q276 I277 C282 Y283 | Q276-N280 WeakPolarHBondContact O-CB 3.38Å; Q276-N280 PolarHBondContact O-N 2.83Å; I277-N280 PolarHBondContact O-N 3.48Å; N280-C282 VanDerWaalsContact CG-SG 3.55Å; N280-C282 PolarHBondContact O-N 3.32Å; N280-C282 PolarHBondContact OD1-N 3Å; N280-C282 PolarHBondContact OD1-SG 3.43Å; N280-Y283 PolarHBondContact O-N 3.41Å |
| 281 | P | 95.1 | Very high | 95.2 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 41% | 0.409 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15.6 | -178.7 | 29.1 | -37.1 | 0 | 0 | 0 | 113.7 | Y283 N378 R379 | P281-Y283 PolarHBondContact O-N 2.94Å; P281-N378 HydrophobicContact CB-CB 4.18Å; P281-N378 WeakPolarHBondContact CB-OD1 3.42Å; P281-N378 WeakPolarHBondContact CG-OD1 3.38Å; P281-N378 CarbonylContact O-C 3.5Å; P281-N378 WeakPolarHBondContact O-CA 3.22Å; P281-R379 PolarHBondContact O-N 2.85Å |
| 282 | C | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -9.1 | 176 | 86.4 | 0 | 0 | 0 | 0 | 113.8 | N280 W284 F304 L306 P376 | N280-C282 VanDerWaalsContact CG-SG 3.55Å; N280-C282 PolarHBondContact O-N 3.32Å; N280-C282 PolarHBondContact OD1-N 3Å; N280-C282 PolarHBondContact OD1-SG 3.43Å; C282-W284 VanDerWaalsContact O-CD1 3.32Å; C282-F304 HydrophobicContact CB-CE2 4.17Å; C282-F304 HydrophobicContact CB-CZ 4.31Å; C282-L306 PolarHBondContact O-N 2.82Å; C282-P376 HydrophobicContact CB-CB 3.6Å |
| 283 | Y | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 122 | 179.3 | 177.7 | -120.8 | 0 | 0 | 0 | 111.9 | I277 N280 P281 L306 D308 F316 R379 F383 H387 Y418 | I277-Y283 HydrophobicContact CG2-CD1 3.88Å; I277-Y283 HydrophobicContact CG2-CD2 3.88Å; I277-Y283 HydrophobicContact CG2-CE1 4.1Å; I277-Y283 HydrophobicContact CG2-CE2 4.09Å; I277-Y283 HydrophobicContact CG2-CG 3.76Å; I277-Y283 WeakPolarHBondContact O-CB 3.41Å; N280-Y283 PolarHBondContact O-N 3.41Å; P281-Y283 PolarHBondContact O-N 2.94Å; Y283-L306 WeakPolarHBondContact CA-O 3.21Å; Y283-L306 HydrophobicContact CD2-CB 4.26Å; Y283-L306 HydrophobicContact CD2-CD2 3.79Å; Y283-L306 HydrophobicContact CD2-CG 3.91Å; Y283-L306 HydrophobicContact CG-CD2 4.39Å; Y283-D308 WeakPolarHBondContact CE2-OD1 3.27Å; Y283-D308 VanDerWaalsContact CZ-OD1 3.31Å; Y283-D308 PolarHBondContact OH-OD1 2.79Å; Y283-F316 HydrophobicContact CE2-CD1 4.11Å; Y283-F316 AromaticContact CE2-CE1 3.89Å; Y283-F316 HydrophobicContact CE2-CE1 3.89Å; Y283-R379 WeakPolarHBondContact O-CD 3.4Å; Y283-R379 PolarHBondContact O-NE 3.2Å; Y283-F383 AromaticContact CD1-CE2 3.63Å; Y283-F383 HydrophobicContact CD1-CE2 3.63Å; Y283-F383 AromaticContact CD1-CZ 3.58Å; Y283-F383 HydrophobicContact CD1-CZ 3.58Å; Y283-F383 AromaticContact CE1-CE2 3.74Å; Y283-F383 HydrophobicContact CE1-CE2 3.74Å; Y283-F383 AromaticContact CE1-CZ 3.66Å; Y283-F383 HydrophobicContact CE1-CZ 3.66Å; Y283-F383 HydrophobicContact CG-CZ 4.49Å; Y283-H387 AromaticContact CE1-NE2 3.48Å; Y283-H387 WeakPolarHBondContact CE1-NE2 3.47Å; Y283-Y418 PolarHBondContact OH-OH 3.43Å |
| 284 | W | 97.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | trans | -100.2 | -9.3 | -177.8 | -72.6 | 70.2 | 0 | 0 | 0 | 114.3 | C282 M287 L295 L306 L377 N378 R379 T380 F381 | C282-W284 VanDerWaalsContact O-CD1 3.32Å; W284-M287 HydrophobicContact CB-CE 3.81Å; W284-M287 HydrophobicContact CB-SD 4.27Å; W284-M287 HydrophobicContact CD2-CE 3.77Å; W284-M287 HydrophobicContact CE3-CE 3.39Å; W284-M287 HydrophobicContact CG-CE 3.97Å; W284-M287 HydrophobicContact CZ3-CE 4.21Å; W284-L295 HydrophobicContact CD2-CD1 4.34Å; W284-L295 HydrophobicContact CE3-CD1 3.96Å; W284-L295 HydrophobicContact CH2-CD1 3.89Å; W284-L295 HydrophobicContact CH2-CD2 4.22Å; W284-L295 HydrophobicContact CZ2-CD1 4.27Å; W284-L295 HydrophobicContact CZ3-CD1 3.72Å; W284-L306 PolarHBondContact N-O 3.19Å; W284-L377 HydrophobicContact CZ2-CD2 4.12Å; W284-L377 HydrophobicContact CZ2-CG 4.14Å; W284-L377 PolarHBondContact NE1-O 3.46Å; W284-N378 WeakPolarHBondContact CZ2-O 3.4Å; W284-R379 HydrophobicContact CD2-CB 4.07Å; W284-R379 HydrophobicContact CD2-CG 4.46Å; W284-R379 HydrophobicContact CE3-CB 4.49Å; W284-R379 HydrophobicContact CE3-CG 4.46Å; W284-R379 HydrophobicContact CG-CB 4.32Å; W284-R379 HydrophobicContact CZ2-CB 4.46Å; W284-T380 HydrophobicContact CH2-CG2 4.5Å; W284-F381 AromaticContact CE3-CE1 3.6Å; W284-F381 HydrophobicContact CE3-CE1 3.6Å; W284-F381 HydrophobicContact CE3-CZ 4.22Å; W284-F381 HydrophobicContact CZ3-CD1 4.4Å; W284-F381 AromaticContact CZ3-CE1 3.8Å; W284-F381 HydrophobicContact CZ3-CE1 3.8Å | ||
| 285 | G | 95.6 | Very high | 96 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | trans | 73.4 | -145.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | M287 D308 | G285-M287 PolarHBondContact O-N 2.93Å; G285-D308 PolarHBondContact O-N 2.71Å | ||
| 286 | V | 95.2 | Very high | 96 | Very high | 131 Ų | 131 | 49.5 Ų | 49.5 | 79% | 0.794 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -61.8 | 103.3 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | D308 | V286-D308 WeakPolarHBondContact CG2-OD2 3.35Å; V286-D308 PolarHBondContact N-OD2 3.31Å |
| 287 | M | 95.2 | Very high | 96.1 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 15% | 0.148 | 27% | 0.273 | C | S | . | . | trans | -147.5 | 138.6 | 178.9 | 175.8 | -177.3 | -76.2 | 0 | 0 | 109.1 | W284 G285 A291 A292 L295 L305 R307 | W284-M287 HydrophobicContact CB-CE 3.81Å; W284-M287 HydrophobicContact CB-SD 4.27Å; W284-M287 HydrophobicContact CD2-CE 3.77Å; W284-M287 HydrophobicContact CE3-CE 3.39Å; W284-M287 HydrophobicContact CG-CE 3.97Å; W284-M287 HydrophobicContact CZ3-CE 4.21Å; G285-M287 PolarHBondContact O-N 2.93Å; M287-A291 HydrophobicContact CG-CB 3.94Å; M287-A291 HydrophobicContact SD-CB 4.45Å; M287-A292 HydrophobicContact SD-CB 3.9Å; M287-L295 HydrophobicContact CE-CD1 3.4Å; M287-L295 VanDerWaalsContact CE-CD1 3.4Å; M287-L295 HydrophobicContact SD-CD1 4.03Å; M287-L305 HydrophobicContact SD-CD1 3.97Å; M287-L305 HydrophobicContact SD-CD2 4.46Å; M287-R307 HydrophobicContact CB-CB 3.96Å; M287-R307 WeakPolarHBondContact O-CD 3.39Å; M287-R307 PolarHBondContact O-NH1 3.07Å; M287-R307 VanDerWaalsContact O-NH1 3.07Å | ||
| 288 | D | 95.5 | Very high | 95.9 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | trans | -82.9 | 176.6 | 176.6 | 83.4 | -45.7 | 0 | 0 | 0 | 111.7 | Y290 A291 A292 R307 | D288-Y290 WeakPolarHBondContact OD2-CB 3.39Å; D288-Y290 WeakPolarHBondContact OD2-CD2 3.39Å; D288-Y290 PolarHBondContact OD2-N 2.89Å; D288-Y290 VanDerWaalsContact OD2-N 3.11Å; D288-A291 WeakPolarHBondContact OD1-CB 3.32Å; D288-A291 PolarHBondContact OD1-N 3.46Å; D288-A292 PolarHBondContact O-N 3.23Å; D288-R307 PolarHBondContact O-NE 2.93Å | ||
| 289 | K | 96.1 | Very high | 96 | Very high | 77 Ų | 77 | 57.8 Ų | 57.8 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.9 | -33.6 | 178.6 | 76.5 | 178.6 | -164.4 | 81.9 | 0 | 112.7 | A292 E293 | K289-A292 WeakPolarHBondContact O-CB 3.4Å; K289-A292 PolarHBondContact O-N 2.84Å; K289-E293 IonicContact NZ-OE1 3.79Å; K289-E293 PolarHBondContact NZ-OE1 2.89Å; K289-E293 WeakPolarHBondContact O-CB 3.33Å; K289-E293 VanDerWaalsContact O-CG 3.26Å; K289-E293 WeakPolarHBondContact O-CG 3.34Å; K289-E293 PolarHBondContact O-N 2.83Å |
| 290 | Y | 96.8 | Very high | 96 | Very high | 148 Ų | 148 | 56.1 Ų | 56.1 | 58% | 0.58 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.7 | -37.2 | -173.2 | -57.4 | -70.1 | 0 | 0 | 0 | 112.3 | D288 A292 E293 A294 | D288-Y290 WeakPolarHBondContact OD2-CB 3.39Å; D288-Y290 WeakPolarHBondContact OD2-CD2 3.39Å; D288-Y290 PolarHBondContact OD2-N 2.89Å; D288-Y290 VanDerWaalsContact OD2-N 3.11Å; Y290-A292 VanDerWaalsContact C-N 3.31Å; Y290-E293 WeakPolarHBondContact CD1-OE2 3.38Å; Y290-E293 PolarHBondContact O-N 2.85Å; Y290-A294 PolarHBondContact O-N 3.45Å |
| 291 | A | 96.5 | Very high | 96 | Very high | 39 Ų | 39 | 58 Ų | 58 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | M287 D288 A294 L295 | M287-A291 HydrophobicContact CG-CB 3.94Å; M287-A291 HydrophobicContact SD-CB 4.45Å; D288-A291 WeakPolarHBondContact OD1-CB 3.32Å; D288-A291 PolarHBondContact OD1-N 3.46Å; A291-A294 PolarHBondContact O-N 3.5Å; A291-L295 WeakPolarHBondContact O-CB 3.29Å; A291-L295 WeakPolarHBondContact O-CG 3.34Å; A291-L295 PolarHBondContact O-N 2.96Å |
| 292 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M287 D288 K289 Y290 A294 L295 L296 L305 | M287-A292 HydrophobicContact SD-CB 3.9Å; D288-A292 PolarHBondContact O-N 3.23Å; K289-A292 WeakPolarHBondContact O-CB 3.4Å; K289-A292 PolarHBondContact O-N 2.84Å; Y290-A292 VanDerWaalsContact C-N 3.31Å; A292-A294 VanDerWaalsContact C-N 3.32Å; A292-A294 PolarHBondContact O-N 3.49Å; A292-L295 PolarHBondContact O-N 2.91Å; A292-L296 WeakPolarHBondContact O-CB 3.32Å; A292-L296 VanDerWaalsContact O-CG 3.26Å; A292-L296 WeakPolarHBondContact O-CG 3.25Å; A292-L296 PolarHBondContact O-N 3.42Å; A292-L305 HydrophobicContact CB-CD1 4.07Å; A292-L305 HydrophobicContact CB-CD2 4.24Å |
| 293 | E | 97.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 173.5 | -75.2 | 164.4 | -157.7 | 0 | 0 | 111 | K289 Y290 L296 E297 H328 | K289-E293 IonicContact NZ-OE1 3.79Å; K289-E293 PolarHBondContact NZ-OE1 2.89Å; K289-E293 WeakPolarHBondContact O-CB 3.33Å; K289-E293 VanDerWaalsContact O-CG 3.26Å; K289-E293 WeakPolarHBondContact O-CG 3.34Å; K289-E293 PolarHBondContact O-N 2.83Å; Y290-E293 WeakPolarHBondContact CD1-OE2 3.38Å; Y290-E293 PolarHBondContact O-N 2.85Å; E293-L296 CarbonylContact O-C 3.56Å; E293-L296 PolarHBondContact O-N 3.32Å; E293-E297 PolarHBondContact O-N 3.2Å; E293-H328 IonicContact OE1-NE2 3.46Å; E293-H328 PolarHBondContact OE1-NE2 3.25Å |
| 294 | A | 97.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 51% | 0.512 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y290 A291 A292 L296 E297 | Y290-A294 PolarHBondContact O-N 3.45Å; A291-A294 PolarHBondContact O-N 3.5Å; A292-A294 VanDerWaalsContact C-N 3.32Å; A292-A294 PolarHBondContact O-N 3.49Å; A294-L296 VanDerWaalsContact C-N 3.29Å; A294-L296 PolarHBondContact O-N 3.19Å; A294-E297 WeakPolarHBondContact O-CB 3.38Å; A294-E297 PolarHBondContact O-N 2.91Å |
| 295 | L | 96.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 55 Ų | 55 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.5 | -27.6 | 174.7 | -76 | 172.4 | 0 | 0 | 0 | 113 | W284 M287 A291 A292 K299 L305 L377 | W284-L295 HydrophobicContact CD2-CD1 4.34Å; W284-L295 HydrophobicContact CE3-CD1 3.96Å; W284-L295 HydrophobicContact CH2-CD1 3.89Å; W284-L295 HydrophobicContact CH2-CD2 4.22Å; W284-L295 HydrophobicContact CZ2-CD1 4.27Å; W284-L295 HydrophobicContact CZ3-CD1 3.72Å; M287-L295 HydrophobicContact CE-CD1 3.4Å; M287-L295 VanDerWaalsContact CE-CD1 3.4Å; M287-L295 HydrophobicContact SD-CD1 4.03Å; A291-L295 WeakPolarHBondContact O-CB 3.29Å; A291-L295 WeakPolarHBondContact O-CG 3.34Å; A291-L295 PolarHBondContact O-N 2.96Å; A292-L295 PolarHBondContact O-N 2.91Å; L295-K299 WeakPolarHBondContact O-CE 3.45Å; L295-L305 HydrophobicContact CB-CD2 4.36Å; L295-L305 HydrophobicContact CD1-CD2 4.49Å; L295-L377 HydrophobicContact CB-CD2 3.9Å |
| 296 | L | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -4.4 | 175.6 | -65.7 | 169 | 0 | 0 | 0 | 112.9 | A292 E293 A294 G298 K299 T303 L305 R321 L377 | A292-L296 WeakPolarHBondContact O-CB 3.32Å; A292-L296 VanDerWaalsContact O-CG 3.26Å; A292-L296 WeakPolarHBondContact O-CG 3.25Å; A292-L296 PolarHBondContact O-N 3.42Å; E293-L296 CarbonylContact O-C 3.56Å; E293-L296 PolarHBondContact O-N 3.32Å; A294-L296 VanDerWaalsContact C-N 3.29Å; A294-L296 PolarHBondContact O-N 3.19Å; L296-G298 PolarHBondContact O-N 2.61Å; L296-K299 WeakPolarHBondContact O-CB 3.5Å; L296-K299 WeakPolarHBondContact O-CG 3.47Å; L296-K299 PolarHBondContact O-N 3.19Å; L296-T303 HydrophobicContact CD2-CG2 3.79Å; L296-L305 HydrophobicContact CD1-CD2 4.4Å; L296-L305 HydrophobicContact CD2-CD2 4.45Å; L296-L305 HydrophobicContact CG-CD2 4.21Å; L296-R321 WeakPolarHBondContact O-CD 3.28Å; L296-R321 PolarHBondContact O-NH1 2.84Å; L296-R321 VanDerWaalsContact O-NH1 3.14Å; L296-L377 HydrophobicContact CD2-CD2 4.47Å |
| 297 | E | 95.9 | Very high | 96.1 | Very high | 149 Ų | 149 | 49.2 Ų | 49.2 | 70% | 0.696 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 136.3 | 177.4 | -166.6 | 167.8 | -158.3 | 0 | 0 | 111.3 | E293 A294 K299 | E293-E297 PolarHBondContact O-N 3.2Å; A294-E297 WeakPolarHBondContact O-CB 3.38Å; A294-E297 PolarHBondContact O-N 2.91Å; E297-K299 PolarHBondContact O-N 3.12Å |
| 298 | G | 93.4 | Very high | 96.2 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 69% | 0.691 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 1.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L296 | L296-G298 PolarHBondContact O-N 2.61Š|
| 299 | K | 95.9 | Very high | 96.2 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 159.1 | -180 | -57.7 | -58.8 | -179 | -179.8 | 0 | 112.6 | L295 L296 E297 T303 R321 | L295-K299 WeakPolarHBondContact O-CE 3.45Å; L296-K299 WeakPolarHBondContact O-CB 3.5Å; L296-K299 WeakPolarHBondContact O-CG 3.47Å; L296-K299 PolarHBondContact O-N 3.19Å; E297-K299 PolarHBondContact O-N 3.12Å; K299-T303 HydrophobicContact CB-CG2 3.97Å; K299-T303 HydrophobicContact CG-CG2 4.17Å; K299-R321 WeakPolarHBondContact O-CD 3.38Å; K299-R321 PolarHBondContact O-NE 3.07Å |
| 300 | P | 95.4 | Very high | 96 | Very high | 84 Ų | 84 | 47 Ų | 47 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 161.2 | 171.4 | 27 | -32.9 | 0 | 0 | 0 | 112.2 | T303 | P300-T303 WeakPolarHBondContact CD-OG1 3.29Å; P300-T303 WeakPolarHBondContact CG-OG1 3.07Å; P300-T303 WeakPolarHBondContact O-CB 3.48Å; P300-T303 PolarHBondContact O-N 3.07Å; P300-T303 PolarHBondContact O-OG1 2.85Å |
| 301 | E | 93.8 | Very high | 95.8 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 38% | 0.383 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 143.2 | 172.5 | -171.6 | 129.2 | 168.3 | 0 | 0 | 111.3 | T303 R321 R322 Y323 L372 | E301-T303 VanDerWaalsContact C-N 3.27Å; E301-T303 PolarHBondContact O-N 3.42Å; E301-R321 CarbonylContact C-O 3.56Å; E301-R321 WeakPolarHBondContact CA-O 3.07Å; E301-R322 HydrophobicContact CG-CG 4.31Å; E301-R322 WeakPolarHBondContact OE1-CG 3.38Å; E301-Y323 PolarHBondContact OE1-N 3.15Å; E301-Y323 WeakPolarHBondContact OE2-CA 3.35Å; E301-Y323 PolarHBondContact OE2-N 2.84Å; E301-L372 HydrophobicContact CG-CD2 4.3Å |
| 302 | G | 93.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -1.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F304 R321 L372 S374 T375 | G302-F304 PolarHBondContact O-N 3.21Å; G302-R321 PolarHBondContact N-O 3.03Å; G302-L372 WeakPolarHBondContact CA-O 3.48Å; G302-S374 WeakPolarHBondContact CA-OG 3.49Å; G302-S374 PolarHBondContact O-N 3.17Å; G302-S374 PolarHBondContact O-OG 3.31Å; G302-T375 PolarHBondContact O-N 2.86Å |
| 303 | T | 96.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 127.1 | 170.8 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | L296 K299 P300 E301 F320 R321 T375 L377 | L296-T303 HydrophobicContact CD2-CG2 3.79Å; K299-T303 HydrophobicContact CB-CG2 3.97Å; K299-T303 HydrophobicContact CG-CG2 4.17Å; P300-T303 WeakPolarHBondContact CD-OG1 3.29Å; P300-T303 WeakPolarHBondContact CG-OG1 3.07Å; P300-T303 WeakPolarHBondContact O-CB 3.48Å; P300-T303 PolarHBondContact O-N 3.07Å; P300-T303 PolarHBondContact O-OG1 2.85Å; E301-T303 VanDerWaalsContact C-N 3.27Å; E301-T303 PolarHBondContact O-N 3.42Å; T303-F320 CarbonylContact O-C 3.58Å; T303-F320 VanDerWaalsContact O-CA 3.28Å; T303-F320 WeakPolarHBondContact O-CA 3.46Å; T303-R321 PolarHBondContact O-N 2.92Å; T303-T375 CarbonylContact C-O 3.58Å; T303-T375 VanDerWaalsContact CA-O 3.29Å; T303-T375 WeakPolarHBondContact CA-O 3.49Å; T303-L377 HydrophobicContact CG2-CB 4.08Å; T303-L377 HydrophobicContact CG2-CD1 4.35Å |
| 304 | F | 97.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162.5 | -178.8 | 81.8 | -78.1 | 0 | 0 | 0 | 114.1 | C282 G302 V318 S319 F320 L357 L373 T375 P376 L377 | C282-F304 HydrophobicContact CB-CE2 4.17Å; C282-F304 HydrophobicContact CB-CZ 4.31Å; G302-F304 PolarHBondContact O-N 3.21Å; F304-V318 HydrophobicContact CB-CG1 4.33Å; F304-V318 HydrophobicContact CD2-CG1 4.02Å; F304-S319 CarbonylContact C-O 3.57Å; F304-S319 VanDerWaalsContact CA-O 3.25Å; F304-S319 WeakPolarHBondContact CA-O 2.97Å; F304-F320 HydrophobicContact CB-CB 3.69Å; F304-L357 HydrophobicContact CE2-CD2 4.25Å; F304-L373 HydrophobicContact CB-CD2 3.65Å; F304-L373 VanDerWaalsContact CD1-C 3.46Å; F304-L373 HydrophobicContact CD1-CB 3.75Å; F304-L373 HydrophobicContact CD1-CD2 4.47Å; F304-L373 WeakPolarHBondContact CD1-O 3.28Å; F304-L373 HydrophobicContact CD2-CB 4.16Å; F304-L373 HydrophobicContact CD2-CD2 4.04Å; F304-L373 HydrophobicContact CD2-CG 4.48Å; F304-L373 HydrophobicContact CE1-CB 3.92Å; F304-L373 WeakPolarHBondContact CE1-O 3.36Å; F304-L373 HydrophobicContact CE2-CB 4.3Å; F304-L373 HydrophobicContact CG-CB 3.88Å; F304-L373 HydrophobicContact CG-CD2 3.81Å; F304-L373 HydrophobicContact CG-CG 4.38Å; F304-L373 HydrophobicContact CZ-CB 4.18Å; F304-T375 WeakPolarHBondContact CD1-O 3.24Å; F304-T375 PolarHBondContact N-O 3.29Å; F304-P376 HydrophobicContact CE1-CB 3.84Å; F304-P376 HydrophobicContact CZ-CB 3.99Å; F304-L377 WeakPolarHBondContact O-CB 3.39Å; F304-L377 PolarHBondContact O-N 2.66Å |
| 305 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.3 | 168.8 | 64 | 91.9 | 0 | 0 | 0 | 110.8 | M287 A292 L295 L296 R307 S319 L377 | M287-L305 HydrophobicContact SD-CD1 3.97Å; M287-L305 HydrophobicContact SD-CD2 4.46Å; A292-L305 HydrophobicContact CB-CD1 4.07Å; A292-L305 HydrophobicContact CB-CD2 4.24Å; L295-L305 HydrophobicContact CB-CD2 4.36Å; L295-L305 HydrophobicContact CD1-CD2 4.49Å; L296-L305 HydrophobicContact CD1-CD2 4.4Å; L296-L305 HydrophobicContact CD2-CD2 4.45Å; L296-L305 HydrophobicContact CG-CD2 4.21Å; L305-R307 HydrophobicContact CD1-CB 4.03Å; L305-R307 HydrophobicContact CD1-CG 3.95Å; L305-S319 PolarHBondContact N-O 3.24Å; L305-S319 PolarHBondContact O-N 2.87Å; L305-L377 HydrophobicContact CB-CB 4.43Å; L305-L377 HydrophobicContact CD2-CD2 3.92Å |
| 306 | L | 97.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 136.9 | 168.5 | -175.8 | 72.7 | 0 | 0 | 0 | 109.1 | I277 C282 Y283 W284 F316 V318 I331 I353 L357 | I277-L306 HydrophobicContact CG2-CD2 3.78Å; C282-L306 PolarHBondContact O-N 2.82Å; Y283-L306 WeakPolarHBondContact CA-O 3.21Å; Y283-L306 HydrophobicContact CD2-CB 4.26Å; Y283-L306 HydrophobicContact CD2-CD2 3.79Å; Y283-L306 HydrophobicContact CD2-CG 3.91Å; Y283-L306 HydrophobicContact CG-CD2 4.39Å; W284-L306 PolarHBondContact N-O 3.19Å; L306-F316 HydrophobicContact CD1-CB 4.13Å; L306-V318 HydrophobicContact CD1-CG2 3.8Å; L306-I331 HydrophobicContact CD1-CD1 3.75Å; L306-I353 HydrophobicContact CD2-CG2 4.31Å; L306-L357 HydrophobicContact CD2-CD1 4.22Å |
| 307 | R | 97.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 4% | 0.038 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 165.7 | 174.9 | 56.6 | 176.5 | -171.5 | 72.5 | 10 | 110.7 | M287 D288 L305 F316 S317 S319 | M287-R307 HydrophobicContact CB-CB 3.96Å; M287-R307 WeakPolarHBondContact O-CD 3.39Å; M287-R307 PolarHBondContact O-NH1 3.07Å; M287-R307 VanDerWaalsContact O-NH1 3.07Å; D288-R307 PolarHBondContact O-NE 2.93Å; L305-R307 HydrophobicContact CD1-CB 4.03Å; L305-R307 HydrophobicContact CD1-CG 3.95Å; R307-F316 CarbonylContact O-C 3.49Å; R307-F316 WeakPolarHBondContact O-CA 3.36Å; R307-S317 VanDerWaalsContact CG-O 3.32Å; R307-S317 WeakPolarHBondContact CG-O 3.44Å; R307-S317 PolarHBondContact N-O 2.6Å; R307-S317 PolarHBondContact O-N 3.03Å; R307-S319 PolarHBondContact NE-OG 3.39Å |
| 308 | D | 96.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 149.6 | 170.2 | -59.8 | -6.3 | 0 | 0 | 0 | 109.4 | Y283 G285 V286 L315 F316 Y418 | Y283-D308 WeakPolarHBondContact CE2-OD1 3.27Å; Y283-D308 VanDerWaalsContact CZ-OD1 3.31Å; Y283-D308 PolarHBondContact OH-OD1 2.79Å; G285-D308 PolarHBondContact O-N 2.71Å; V286-D308 WeakPolarHBondContact CG2-OD2 3.35Å; V286-D308 PolarHBondContact N-OD2 3.31Å; D308-L315 CarbonylContact C-O 3.44Å; D308-L315 WeakPolarHBondContact CA-O 3.47Å; D308-F316 WeakPolarHBondContact OD1-CE1 3.22Å; D308-Y418 PolarHBondContact OD2-OH 2.86Å |
| 309 | S | 95.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | trans | -76.7 | 157.9 | 175.1 | -158.5 | 0 | 0 | 0 | 0 | 111.4 | Q311 Y314 L315 S317 | S309-Q311 PolarHBondContact OG-N 2.43Å; S309-Y314 WeakPolarHBondContact CB-O 2.96Å; S309-L315 PolarHBondContact N-O 3.2Å; S309-S317 PolarHBondContact OG-OG 2.67Å | ||
| 310 | A | 91.8 | Very high | 94.9 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 72% | 0.719 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -98.4 | 16.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 311 | Q | 91.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 42% | 0.416 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -124.4 | 136.9 | 179.1 | -70.9 | -168.8 | -21.5 | 0 | 0 | 110.2 | S309 D313 Y314 | S309-Q311 PolarHBondContact OG-N 2.43Å; Q311-D313 VanDerWaalsContact C-N 3.25Å; Q311-D313 PolarHBondContact O-N 2.64Å; Q311-Y314 HydrophobicContact CB-CD2 4.02Å; Q311-Y314 PolarHBondContact O-N 3.33Å |
| 312 | E | 87.2 | Confident | 94.9 | Very high | 174 Ų | 174 | 34.3 Ų | 34.3 | 81% | 0.813 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.7 | -168.7 | -57 | -173.9 | 174 | 0 | 0 | 114.5 | ||
| 313 | D | 89.1 | Confident | 94.9 | Very high | 126 Ų | 126 | 40.3 Ų | 40.3 | 67% | 0.674 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.6 | 179.9 | -66.3 | -56.6 | 0 | 0 | 0 | 114.7 | Q311 K421 | Q311-D313 VanDerWaalsContact C-N 3.25Å; Q311-D313 PolarHBondContact O-N 2.64Å; D313-K421 IonicContact OD1-NZ 2.62Å; D313-K421 PolarHBondContact OD1-NZ 3.38Å |
| 314 | Y | 93.4 | Very high | 94.7 | Very high | 61 Ų | 61 | 44.5 Ų | 44.5 | 24% | 0.239 | 23% | 0.232 | C | C | . | . | trans | -126.1 | 129.3 | -178.5 | -55.2 | -90.8 | 0 | 0 | 0 | 110 | S309 Q311 R330 E332 | S309-Y314 WeakPolarHBondContact CB-O 2.96Å; Q311-Y314 HydrophobicContact CB-CD2 4.02Å; Q311-Y314 PolarHBondContact O-N 3.33Å; Y314-R330 HydrophobicContact CD1-CB 3.72Å; Y314-R330 HydrophobicContact CD1-CG 4.46Å; Y314-R330 VanDerWaalsContact CD2-CD 3.45Å; Y314-R330 HydrophobicContact CE1-CB 4.1Å; Y314-R330 HydrophobicContact CG-CB 4.06Å; Y314-R330 HydrophobicContact CG-CG 4.42Å; Y314-E332 HydrophobicContact CD1-CG 4.4Å; Y314-E332 HydrophobicContact CE1-CG 3.9Å; Y314-E332 WeakPolarHBondContact CE1-OE1 3.48Å; Y314-E332 PolarHBondContact OH-OE1 2.94Å | ||
| 315 | L | 94.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -74.6 | -40.1 | 177.4 | -64.9 | 179.9 | 0 | 0 | 0 | 112.4 | V271 D308 S309 Y418 | V271-L315 HydrophobicContact CG2-CD1 3.22Å; D308-L315 CarbonylContact C-O 3.44Å; D308-L315 WeakPolarHBondContact CA-O 3.47Å; S309-L315 PolarHBondContact N-O 3.2Å; L315-Y418 HydrophobicContact CD2-CD1 4.49Å |
| 316 | F | 96.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 159.5 | -169.6 | -57 | -70.2 | 0 | 0 | 0 | 112.9 | V271 L274 I277 Y283 L306 R307 D308 I331 I353 Y418 | V271-F316 HydrophobicContact CG1-CE2 4.24Å; V271-F316 HydrophobicContact CG2-CE2 4.05Å; L274-F316 HydrophobicContact CD1-CZ 4.24Å; I277-F316 HydrophobicContact CD1-CE2 4.15Å; I277-F316 HydrophobicContact CD1-CZ 4.18Å; I277-F316 HydrophobicContact CG2-CE1 4.49Å; Y283-F316 HydrophobicContact CE2-CD1 4.11Å; Y283-F316 AromaticContact CE2-CE1 3.89Å; Y283-F316 HydrophobicContact CE2-CE1 3.89Å; L306-F316 HydrophobicContact CD1-CB 4.13Å; R307-F316 CarbonylContact O-C 3.49Å; R307-F316 WeakPolarHBondContact O-CA 3.36Å; D308-F316 WeakPolarHBondContact OD1-CE1 3.22Å; F316-I331 HydrophobicContact CB-CB 4.39Å; F316-I331 HydrophobicContact CB-CD1 4.12Å; F316-I331 HydrophobicContact CB-CG1 4.41Å; F316-I331 PolarHBondContact O-N 3.5Å; F316-I331 VanDerWaalsContact O-N 3.15Å; F316-I353 HydrophobicContact CD2-CD1 3.41Å; F316-I353 VanDerWaalsContact CD2-CD1 3.41Å; F316-I353 HydrophobicContact CE2-CD1 3.63Å; F316-I353 HydrophobicContact CG-CD1 4.45Å; F316-Y418 HydrophobicContact CE1-CD1 4.36Å; F316-Y418 HydrophobicContact CE1-CE1 4.2Å; F316-Y418 HydrophobicContact CZ-CD1 4.11Å; F316-Y418 HydrophobicContact CZ-CE1 4.4Å |
| 317 | S | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 135.3 | 170.5 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | R307 S309 A329 | R307-S317 VanDerWaalsContact CG-O 3.32Å; R307-S317 WeakPolarHBondContact CG-O 3.44Å; R307-S317 PolarHBondContact N-O 2.6Å; R307-S317 PolarHBondContact O-N 3.03Å; S309-S317 PolarHBondContact OG-OG 2.67Å; S317-A329 CarbonylContact C-O 3.6Å; S317-A329 VanDerWaalsContact CA-O 3.27Å; S317-A329 WeakPolarHBondContact CA-O 3.42Å |
| 318 | V | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.2 | 170.5 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | F304 L306 F320 H328 A329 I331 F340 L357 L373 | F304-V318 HydrophobicContact CB-CG1 4.33Å; F304-V318 HydrophobicContact CD2-CG1 4.02Å; L306-V318 HydrophobicContact CD1-CG2 3.8Å; V318-F320 HydrophobicContact CG1-CD1 4.43Å; V318-H328 VanDerWaalsContact O-CA 3.29Å; V318-H328 WeakPolarHBondContact O-CA 3.46Å; V318-A329 PolarHBondContact N-O 3.45Å; V318-A329 PolarHBondContact O-N 3.44Å; V318-I331 HydrophobicContact CG2-CD1 4.08Å; V318-I331 HydrophobicContact CG2-CG1 4.31Å; V318-F340 HydrophobicContact CB-CE1 4.23Å; V318-F340 HydrophobicContact CB-CZ 4.43Å; V318-F340 HydrophobicContact CG2-CE1 3.82Å; V318-F340 HydrophobicContact CG2-CZ 3.9Å; V318-L357 HydrophobicContact CG2-CD2 3.6Å; V318-L373 HydrophobicContact CG1-CD1 4.14Å; V318-L373 HydrophobicContact CG1-CD2 3.49Å; V318-L373 VanDerWaalsContact CG1-CD2 3.49Å |
| 319 | S | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.7 | 172.3 | -53.1 | 0 | 0 | 0 | 0 | 107.7 | F304 L305 R307 L327 H328 | F304-S319 CarbonylContact C-O 3.57Å; F304-S319 VanDerWaalsContact CA-O 3.25Å; F304-S319 WeakPolarHBondContact CA-O 2.97Å; L305-S319 PolarHBondContact N-O 3.24Å; L305-S319 PolarHBondContact O-N 2.87Å; R307-S319 PolarHBondContact NE-OG 3.39Å; S319-L327 CarbonylContact C-O 3.54Å; S319-L327 WeakPolarHBondContact CA-O 3.37Å; S319-H328 VanDerWaalsContact CB-ND1 3.33Å; S319-H328 WeakPolarHBondContact CB-ND1 3.18Å; S319-H328 PolarHBondContact OG-ND1 2.9Å |
| 320 | F | 96.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 162.4 | -170.2 | 66.2 | -81.9 | 0 | 0 | 0 | 111.7 | T303 F304 V318 R322 L327 A329 P371 L373 | T303-F320 CarbonylContact O-C 3.58Å; T303-F320 VanDerWaalsContact O-CA 3.28Å; T303-F320 WeakPolarHBondContact O-CA 3.46Å; F304-F320 HydrophobicContact CB-CB 3.69Å; V318-F320 HydrophobicContact CG1-CD1 4.43Å; F320-R322 HydrophobicContact CD2-CB 4.13Å; F320-R322 HydrophobicContact CE2-CB 3.98Å; F320-L327 HydrophobicContact CD1-CB 4.33Å; F320-L327 HydrophobicContact CD2-CB 4.34Å; F320-L327 HydrophobicContact CE1-CB 3.86Å; F320-L327 HydrophobicContact CE2-CB 3.88Å; F320-L327 HydrophobicContact CE2-CD1 3.79Å; F320-L327 HydrophobicContact CE2-CG 4.43Å; F320-L327 HydrophobicContact CZ-CB 3.61Å; F320-L327 HydrophobicContact CZ-CD1 3.96Å; F320-L327 HydrophobicContact CZ-CG 4.44Å; F320-L327 PolarHBondContact N-O 3.11Å; F320-L327 PolarHBondContact O-N 2.71Å; F320-A329 HydrophobicContact CE1-CB 4.27Å; F320-P371 HydrophobicContact CD1-CB 4.13Å; F320-P371 HydrophobicContact CE1-CB 3.84Å; F320-P371 HydrophobicContact CE1-CG 4.08Å; F320-P371 HydrophobicContact CE2-CB 4.34Å; F320-P371 HydrophobicContact CZ-CB 3.95Å; F320-P371 HydrophobicContact CZ-CG 4.22Å; F320-L373 HydrophobicContact CB-CD2 3.84Å; F320-L373 HydrophobicContact CD1-CD2 4.44Å; F320-L373 HydrophobicContact CG-CD2 4.16Å |
| 321 | R | 95.7 | Very high | 94.4 | Very high | 38 Ų | 38 | 60 Ų | 60 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.1 | -179 | -173.8 | 153.8 | 175.4 | 105.7 | 7.2 | 111.3 | L296 K299 E301 G302 T303 S324 R325 | L296-R321 WeakPolarHBondContact O-CD 3.28Å; L296-R321 PolarHBondContact O-NH1 2.84Å; L296-R321 VanDerWaalsContact O-NH1 3.14Å; K299-R321 WeakPolarHBondContact O-CD 3.38Å; K299-R321 PolarHBondContact O-NE 3.07Å; E301-R321 CarbonylContact C-O 3.56Å; E301-R321 WeakPolarHBondContact CA-O 3.07Å; G302-R321 PolarHBondContact N-O 3.03Å; T303-R321 PolarHBondContact O-N 2.92Å; R321-S324 PolarHBondContact NH2-O 2.8Å; R321-R325 CarbonylContact C-O 3.59Å; R321-R325 VanDerWaalsContact CA-O 3.32Å; R321-R325 WeakPolarHBondContact CA-O 3.33Å |
| 322 | R | 93.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 145.5 | 179 | -152.8 | 179.5 | -175.2 | 172.7 | 1.8 | 110.6 | E301 F320 S324 R325 L327 M367 F368 E370 | E301-R322 HydrophobicContact CG-CG 4.31Å; E301-R322 WeakPolarHBondContact OE1-CG 3.38Å; F320-R322 HydrophobicContact CD2-CB 4.13Å; F320-R322 HydrophobicContact CE2-CB 3.98Å; R322-S324 PolarHBondContact O-N 3.32Å; R322-R325 PolarHBondContact N-O 3.26Å; R322-R325 PolarHBondContact O-N 2.69Å; R322-R325 VanDerWaalsContact O-O 3.07Å; R322-L327 HydrophobicContact CB-CD1 4.02Å; R322-M367 PolarHBondContact NH1-O 3.38Å; R322-M367 PolarHBondContact NH2-O 3.3Å; R322-F368 PolarHBondContact NH1-O 3.11Å; R322-E370 PolarHBondContact NH1-O 2.91Å |
| 323 | Y | 92.5 | Very high | 94.8 | Very high | 126 Ų | 126 | 51.5 Ų | 51.5 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41 | -176.1 | -50.8 | -60.8 | 0 | 0 | 0 | 113.5 | E301 R325 F368 | E301-Y323 PolarHBondContact OE1-N 3.15Å; E301-Y323 WeakPolarHBondContact OE2-CA 3.35Å; E301-Y323 PolarHBondContact OE2-N 2.84Å; Y323-R325 PolarHBondContact O-N 3.13Å; Y323-R325 VanDerWaalsContact O-N 3.11Å; Y323-F368 WeakPolarHBondContact CE2-O 3.49Å; Y323-F368 PolarHBondContact OH-O 3.19Å |
| 324 | S | 91.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 65% | 0.65 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 11.5 | -172.2 | -63.6 | 0 | 0 | 0 | 0 | 116.7 | R321 R322 | R321-S324 PolarHBondContact NH2-O 2.8Å; R322-S324 PolarHBondContact O-N 3.32Å |
| 325 | R | 94.1 | Very high | 94.5 | Very high | 181 Ų | 181 | 53 Ų | 53 | 68% | 0.683 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 150.3 | 177.4 | -64.1 | 177.6 | -177.8 | -125.4 | -0.3 | 111.1 | R321 R322 Y323 L327 | R321-R325 CarbonylContact C-O 3.59Å; R321-R325 VanDerWaalsContact CA-O 3.32Å; R321-R325 WeakPolarHBondContact CA-O 3.33Å; R322-R325 PolarHBondContact N-O 3.26Å; R322-R325 PolarHBondContact O-N 2.69Å; R322-R325 VanDerWaalsContact O-O 3.07Å; Y323-R325 PolarHBondContact O-N 3.13Å; Y323-R325 VanDerWaalsContact O-N 3.11Å; R325-L327 HydrophobicContact CB-CD2 4.49Å |
| 326 | S | 96.4 | Very high | 94.3 | Very high | 35 Ų | 35 | 55 Ų | 55 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.9 | 164.6 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 327 | L | 95.9 | Very high | 94.1 | Very high | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 160.8 | -178.1 | -62.7 | 178.1 | 0 | 0 | 0 | 109.8 | S319 F320 R322 R325 | S319-L327 CarbonylContact C-O 3.54Å; S319-L327 WeakPolarHBondContact CA-O 3.37Å; F320-L327 HydrophobicContact CD1-CB 4.33Å; F320-L327 HydrophobicContact CD2-CB 4.34Å; F320-L327 HydrophobicContact CE1-CB 3.86Å; F320-L327 HydrophobicContact CE2-CB 3.88Å; F320-L327 HydrophobicContact CE2-CD1 3.79Å; F320-L327 HydrophobicContact CE2-CG 4.43Å; F320-L327 HydrophobicContact CZ-CB 3.61Å; F320-L327 HydrophobicContact CZ-CD1 3.96Å; F320-L327 HydrophobicContact CZ-CG 4.44Å; F320-L327 PolarHBondContact N-O 3.11Å; F320-L327 PolarHBondContact O-N 2.71Å; R322-L327 HydrophobicContact CB-CD1 4.02Å; R325-L327 HydrophobicContact CB-CD2 4.49Å |
| 328 | H | 95.9 | Very high | 94 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 31% | 0.306 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.5 | 178.6 | -47.4 | -79.1 | 0 | 0 | 0 | 110.7 | E293 V318 S319 | E293-H328 IonicContact OE1-NE2 3.46Å; E293-H328 PolarHBondContact OE1-NE2 3.25Å; V318-H328 VanDerWaalsContact O-CA 3.29Å; V318-H328 WeakPolarHBondContact O-CA 3.46Å; S319-H328 VanDerWaalsContact CB-ND1 3.33Å; S319-H328 WeakPolarHBondContact CB-ND1 3.18Å; S319-H328 PolarHBondContact OG-ND1 2.9Å |
| 329 | A | 95.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S317 V318 F320 F340 P371 | S317-A329 CarbonylContact C-O 3.6Å; S317-A329 VanDerWaalsContact CA-O 3.27Å; S317-A329 WeakPolarHBondContact CA-O 3.42Å; V318-A329 PolarHBondContact N-O 3.45Å; V318-A329 PolarHBondContact O-N 3.44Å; F320-A329 HydrophobicContact CE1-CB 4.27Å; A329-F340 HydrophobicContact CB-CD1 3.47Å; A329-F340 VanDerWaalsContact CB-CD1 3.47Å; A329-F340 HydrophobicContact CB-CE1 3.8Å; A329-F340 HydrophobicContact CB-CG 4.18Å; A329-P371 HydrophobicContact CB-CG 3.91Å |
| 330 | R | 95.8 | Very high | 93.7 | Very high | 104 Ų | 104 | 58.9 Ų | 58.9 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 145.2 | 173.1 | -54.4 | -169.4 | -159.7 | 107.6 | 3.7 | 108.4 | Y314 F340 | Y314-R330 HydrophobicContact CD1-CB 3.72Å; Y314-R330 HydrophobicContact CD1-CG 4.46Å; Y314-R330 VanDerWaalsContact CD2-CD 3.45Å; Y314-R330 HydrophobicContact CE1-CB 4.1Å; Y314-R330 HydrophobicContact CG-CB 4.06Å; Y314-R330 HydrophobicContact CG-CG 4.42Å; R330-F340 WeakPolarHBondContact O-CD1 3.34Å |
| 331 | I | 95.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | trans | -88.6 | 114 | 172.2 | -58.2 | -176 | 0 | 0 | 0 | 107 | L306 F316 V318 F338 F340 I353 L356 | L306-I331 HydrophobicContact CD1-CD1 3.75Å; F316-I331 HydrophobicContact CB-CB 4.39Å; F316-I331 HydrophobicContact CB-CD1 4.12Å; F316-I331 HydrophobicContact CB-CG1 4.41Å; F316-I331 PolarHBondContact O-N 3.5Å; F316-I331 VanDerWaalsContact O-N 3.15Å; V318-I331 HydrophobicContact CG2-CD1 4.08Å; V318-I331 HydrophobicContact CG2-CG1 4.31Å; I331-F338 HydrophobicContact CG2-CB 3.86Å; I331-F338 HydrophobicContact CG2-CD1 4.01Å; I331-F338 HydrophobicContact CG2-CG 4.32Å; I331-F340 HydrophobicContact CG1-CD1 4.46Å; I331-F340 HydrophobicContact CG1-CE1 3.9Å; I331-I353 HydrophobicContact CD1-CG2 3.76Å; I331-I353 HydrophobicContact CG2-CD1 4.31Å; I331-I353 HydrophobicContact CG2-CG1 4.29Å; I331-L356 HydrophobicContact CD1-CD2 4.37Å; I331-L356 HydrophobicContact CG1-CD2 4.34Å; I331-L356 HydrophobicContact CG2-CD2 3.89Å | ||
| 332 | E | 94.7 | Very high | 92.9 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 167.5 | 177.7 | -48.6 | -148.1 | 139 | 0 | 0 | 110.2 | Y314 F338 S339 A342 | Y314-E332 HydrophobicContact CD1-CG 4.4Å; Y314-E332 HydrophobicContact CE1-CG 3.9Å; Y314-E332 WeakPolarHBondContact CE1-OE1 3.48Å; Y314-E332 PolarHBondContact OH-OE1 2.94Å; E332-F338 VanDerWaalsContact O-CA 3.32Å; E332-F338 WeakPolarHBondContact O-CA 3.27Å; E332-S339 PolarHBondContact N-O 3.46Å; E332-S339 PolarHBondContact O-N 3.28Å; E332-A342 HydrophobicContact CB-CB 3.51Å; E332-A342 HydrophobicContact CG-CB 4.49Å; E332-A342 WeakPolarHBondContact OE2-CB 3.41Å; E332-A342 PolarHBondContact OE2-N 2.01Å |
| 333 | Q | 91.5 | Very high | 92.3 | Very high | 44 Ų | 44 | 66.2 Ų | 66.2 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 125.5 | -177.4 | -173.4 | -77.2 | -60.3 | 0 | 0 | 110.9 | H336 N337 F338 Y420 | Q333-H336 VanDerWaalsContact NE2-N 3.13Å; Q333-N337 WeakPolarHBondContact CA-O 3.37Å; Q333-F338 HydrophobicContact CB-CD1 3.96Å; Q333-F338 HydrophobicContact CB-CE1 4Å; Q333-F338 HydrophobicContact CG-CD1 3.98Å; Q333-F338 HydrophobicContact CG-CE1 3.69Å; Q333-F338 HydrophobicContact CG-CZ 4.29Å; Q333-Y420 HydrophobicContact CG-CD1 4.33Å; Q333-Y420 HydrophobicContact CG-CD2 3.7Å; Q333-Y420 HydrophobicContact CG-CE2 4.17Å; Q333-Y420 HydrophobicContact CG-CG 3.75Å |
| 334 | W | 89.4 | Confident | 92 | Very high | 124 Ų | 124 | 63.4 Ų | 63.4 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 143.6 | 173.1 | 179.3 | 52.3 | 0 | 0 | 0 | 111 | H336 N337 A342 | W334-H336 PolarHBondContact O-N 3.35Å; W334-H336 VanDerWaalsContact O-N 3.1Å; W334-N337 PolarHBondContact N-O 2.86Å; W334-N337 WeakPolarHBondContact O-CA 3.34Å; W334-N337 PolarHBondContact O-N 3.45Å; W334-N337 VanDerWaalsContact O-O 3.1Å; W334-A342 HydrophobicContact CB-CB 3.89Å; W334-A342 VanDerWaalsContact CE3-O 3.32Å |
| 335 | N | 87.1 | Confident | 91.6 | Very high | 94 Ų | 94 | 63.9 Ų | 63.9 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 39.2 | -179.1 | -60.3 | -20.2 | 0 | 0 | 0 | 115 | N337 | N335-N337 PolarHBondContact O-N 3.09Š|
| 336 | H | 89.5 | Confident | 91.1 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 5 | -174 | -57.6 | -87.7 | 0 | 0 | 0 | 116.4 | Q333 W334 Y420 S422 | Q333-H336 VanDerWaalsContact NE2-N 3.13Å; W334-H336 PolarHBondContact O-N 3.35Å; W334-H336 VanDerWaalsContact O-N 3.1Å; H336-Y420 AromaticContact ND1-CE2 3.55Å; H336-Y420 AromaticContact ND1-CZ 3.69Å; H336-Y420 PolarHBondContact ND1-OH 2.78Å; H336-S422 PolarHBondContact CE1-OG 3.24Å; H336-S422 PolarHBondContact NE2-OG 2.88Å |
| 337 | N | 92.9 | Very high | 90.8 | Very high | 42 Ų | 42 | 59.9 Ų | 59.9 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 161.4 | 168.5 | -59.3 | -28.2 | 0 | 0 | 0 | 111.3 | Q333 W334 N335 H349 S350 | Q333-N337 WeakPolarHBondContact CA-O 3.37Å; W334-N337 PolarHBondContact N-O 2.86Å; W334-N337 WeakPolarHBondContact O-CA 3.34Å; W334-N337 PolarHBondContact O-N 3.45Å; W334-N337 VanDerWaalsContact O-O 3.1Å; N335-N337 PolarHBondContact O-N 3.09Å; N337-H349 HydrophobicContact CB-CB 4.08Å; N337-H349 PolarHBondContact ND2-CE1 3.02Å; N337-H349 PolarHBondContact ND2-ND1 3.01Å; N337-S350 CarbonylContact C-O 3.48Å; N337-S350 WeakPolarHBondContact CA-O 3.43Å |
| 338 | F | 94.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.6 | 175.1 | -59.4 | -82.1 | 0 | 0 | 0 | 110.8 | P272 I331 E332 Q333 H349 S350 P351 I353 L356 Y420 | P272-F338 HydrophobicContact CG-CE2 4.36Å; I331-F338 HydrophobicContact CG2-CB 3.86Å; I331-F338 HydrophobicContact CG2-CD1 4.01Å; I331-F338 HydrophobicContact CG2-CG 4.32Å; E332-F338 VanDerWaalsContact O-CA 3.32Å; E332-F338 WeakPolarHBondContact O-CA 3.27Å; Q333-F338 HydrophobicContact CB-CD1 3.96Å; Q333-F338 HydrophobicContact CB-CE1 4Å; Q333-F338 HydrophobicContact CG-CD1 3.98Å; Q333-F338 HydrophobicContact CG-CE1 3.69Å; Q333-F338 HydrophobicContact CG-CZ 4.29Å; F338-H349 CarbonylContact O-C 3.56Å; F338-H349 VanDerWaalsContact O-CA 3.31Å; F338-H349 WeakPolarHBondContact O-CA 3.48Å; F338-S350 PolarHBondContact N-O 3.36Å; F338-S350 PolarHBondContact O-N 3.22Å; F338-P351 WeakPolarHBondContact CD2-O 3.45Å; F338-P351 WeakPolarHBondContact CE2-O 3.34Å; F338-I353 HydrophobicContact CB-CG1 4.19Å; F338-I353 HydrophobicContact CD1-CD1 4.07Å; F338-I353 HydrophobicContact CD1-CG1 4.01Å; F338-I353 HydrophobicContact CD2-CG1 3.88Å; F338-I353 HydrophobicContact CE1-CD1 4.09Å; F338-I353 HydrophobicContact CE1-CG1 4.36Å; F338-I353 HydrophobicContact CE2-CG1 4.25Å; F338-I353 HydrophobicContact CG-CD1 4.32Å; F338-I353 HydrophobicContact CG-CG1 3.75Å; F338-I353 HydrophobicContact CZ-CD1 4.38Å; F338-I353 HydrophobicContact CZ-CG1 4.47Å; F338-L356 HydrophobicContact CB-CD2 4.29Å; F338-Y420 HydrophobicContact CE1-CD1 4.23Å; F338-Y420 AromaticContact CZ-CD1 3.88Å; F338-Y420 HydrophobicContact CZ-CD1 3.88Å; F338-Y420 AromaticContact CZ-CE1 3.83Å; F338-Y420 HydrophobicContact CZ-CE1 3.83Å |
| 339 | S | 94.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 178.2 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | E332 D341 F348 | E332-S339 PolarHBondContact N-O 3.46Å; E332-S339 PolarHBondContact O-N 3.28Å; S339-D341 WeakPolarHBondContact CB-O 3.43Å; S339-D341 VanDerWaalsContact OG-C 3.24Å; S339-D341 PolarHBondContact OG-O 3.16Å; S339-F348 WeakPolarHBondContact CB-O 3.35Å |
| 340 | F | 93.4 | Very high | 90.3 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -93 | -12.6 | 172.3 | -67.3 | -61.6 | 0 | 0 | 0 | 114 | V318 A329 R330 I331 L356 Y360 P371 L373 | V318-F340 HydrophobicContact CB-CE1 4.23Å; V318-F340 HydrophobicContact CB-CZ 4.43Å; V318-F340 HydrophobicContact CG2-CE1 3.82Å; V318-F340 HydrophobicContact CG2-CZ 3.9Å; A329-F340 HydrophobicContact CB-CD1 3.47Å; A329-F340 VanDerWaalsContact CB-CD1 3.47Å; A329-F340 HydrophobicContact CB-CE1 3.8Å; A329-F340 HydrophobicContact CB-CG 4.18Å; R330-F340 WeakPolarHBondContact O-CD1 3.34Å; I331-F340 HydrophobicContact CG1-CD1 4.46Å; I331-F340 HydrophobicContact CG1-CE1 3.9Å; F340-L356 HydrophobicContact CD2-CD1 4.27Å; F340-L356 HydrophobicContact CE1-CD2 4.45Å; F340-L356 HydrophobicContact CE2-CD1 4.15Å; F340-L356 HydrophobicContact CE2-CD2 4.28Å; F340-L356 HydrophobicContact CE2-CG 4.06Å; F340-L356 HydrophobicContact CZ-CD2 4.21Å; F340-L356 HydrophobicContact CZ-CG 4.3Å; F340-Y360 AromaticContact CD2-CD2 3.84Å; F340-Y360 HydrophobicContact CD2-CD2 3.84Å; F340-Y360 AromaticContact CD2-CE2 3.62Å; F340-Y360 HydrophobicContact CD2-CE2 3.62Å; F340-Y360 AromaticContact CE2-CD2 3.46Å; F340-Y360 HydrophobicContact CE2-CD2 3.46Å; F340-Y360 VanDerWaalsContact CE2-CD2 3.46Å; F340-Y360 AromaticContact CE2-CE2 3.76Å; F340-Y360 HydrophobicContact CE2-CE2 3.76Å; F340-Y360 HydrophobicContact CE2-CG 4.05Å; F340-P371 HydrophobicContact CD1-CG 4.3Å; F340-P371 HydrophobicContact CD2-CG 3.67Å; F340-P371 HydrophobicContact CE1-CG 4.32Å; F340-P371 HydrophobicContact CE2-CB 4.17Å; F340-P371 HydrophobicContact CE2-CG 3.68Å; F340-P371 HydrophobicContact CG-CG 3.99Å; F340-P371 HydrophobicContact CZ-CB 4.39Å; F340-P371 HydrophobicContact CZ-CG 4.03Å; F340-L373 HydrophobicContact CZ-CD1 4.26Å |
| 341 | D | 90.9 | Very high | 90.2 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | trans | -139.5 | 123.5 | 164.2 | -173.6 | -51.9 | 0 | 0 | 0 | 106.3 | S339 H343 D344 V347 | S339-D341 WeakPolarHBondContact CB-O 3.43Å; S339-D341 VanDerWaalsContact OG-C 3.24Å; S339-D341 PolarHBondContact OG-O 3.16Å; D341-H343 WeakPolarHBondContact OD1-CA 3.46Å; D341-H343 PolarHBondContact OD1-N 3.43Å; D341-D344 PolarHBondContact OD1-N 3.45Å; D341-V347 HydrophobicContact CB-CB 4.47Å; D341-V347 HydrophobicContact CB-CG1 4.38Å; D341-V347 HydrophobicContact CB-CG2 4.2Å | ||
| 342 | A | 85 | Confident | 90.1 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -95.2 | 8.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E332 W334 | E332-A342 HydrophobicContact CB-CB 3.51Å; E332-A342 HydrophobicContact CG-CB 4.49Å; E332-A342 WeakPolarHBondContact OE2-CB 3.41Å; E332-A342 PolarHBondContact OE2-N 2.01Å; W334-A342 HydrophobicContact CB-CB 3.89Å; W334-A342 VanDerWaalsContact CE3-O 3.32Å |
| 343 | H | 81.6 | Confident | 90.1 | Very high | 148 Ų | 148 | 60.3 Ų | 60.3 | 69% | 0.685 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -122.7 | -23.6 | -176.1 | -67.3 | -15.2 | 0 | 0 | 0 | 113.5 | D341 P345 | D341-H343 WeakPolarHBondContact OD1-CA 3.46Å; D341-H343 PolarHBondContact OD1-N 3.43Å; H343-P345 WeakPolarHBondContact O-CD 3.39Å |
| 344 | D | 86.8 | Confident | 90.2 | Very high | 68 Ų | 68 | 60 Ų | 60 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | trans | -85.2 | 112.9 | 166.5 | -171.8 | -2 | 0 | 0 | 0 | 111.7 | D341 C346 V347 | D341-D344 PolarHBondContact OD1-N 3.45Å; D344-C346 PolarHBondContact O-N 2.87Å; D344-C346 WeakPolarHBondContact OD1-CB 3.42Å; D344-C346 PolarHBondContact OD1-N 3.1Å; D344-C346 PolarHBondContact OD1-SG 3.12Å; D344-V347 HydrophobicContact CB-CG2 3.96Å; D344-V347 PolarHBondContact O-N 3.03Å | ||
| 345 | P | 82.5 | Confident | 90.4 | Very high | 102 Ų | 102 | 55.3 Ų | 55.3 | 66% | 0.662 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -6.6 | 175.8 | 32.5 | -37.5 | 0 | 0 | 0 | 113.9 | H343 | H343-P345 WeakPolarHBondContact O-CD 3.39Š|
| 346 | C | 84.4 | Confident | 90.8 | Very high | 112 Ų | 112 | 50.8 Ų | 50.8 | 76% | 0.757 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -18.9 | 174.4 | -50.8 | 0 | 0 | 0 | 0 | 112.9 | D344 | D344-C346 PolarHBondContact O-N 2.87Å; D344-C346 WeakPolarHBondContact OD1-CB 3.42Å; D344-C346 PolarHBondContact OD1-N 3.1Å; D344-C346 PolarHBondContact OD1-SG 3.12Å |
| 347 | V | 89.2 | Confident | 91 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 13% | 0.127 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -80.4 | 139.7 | -179.6 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | D341 D344 H349 | D341-V347 HydrophobicContact CB-CB 4.47Å; D341-V347 HydrophobicContact CB-CG1 4.38Å; D341-V347 HydrophobicContact CB-CG2 4.2Å; D344-V347 HydrophobicContact CB-CG2 3.96Å; D344-V347 PolarHBondContact O-N 3.03Å; V347-H349 PolarHBondContact O-N 2.97Å |
| 348 | F | 90.3 | Very high | 91 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | trans | -63.5 | 132.1 | -178.1 | -179.8 | -95.4 | 0 | 0 | 0 | 112.1 | S339 L356 H359 Y360 | S339-F348 WeakPolarHBondContact CB-O 3.35Å; F348-L356 HydrophobicContact CD1-CD1 4.04Å; F348-H359 HydrophobicContact CD1-CB 3.57Å; F348-H359 AromaticContact CD1-CD2 3.58Å; F348-H359 AromaticContact CD1-CG 3.38Å; F348-H359 AromaticContact CD1-ND1 3.88Å; F348-H359 AromaticContact CD2-CE1 3.5Å; F348-H359 AromaticContact CD2-CG 3.88Å; F348-H359 AromaticContact CD2-ND1 3.5Å; F348-H359 WeakPolarHBondContact CD2-ND1 3.41Å; F348-H359 AromaticContact CD2-NE2 3.9Å; F348-H359 HydrophobicContact CE1-CB 3.34Å; F348-H359 AromaticContact CE1-CG 3.55Å; F348-H359 AromaticContact CE1-ND1 3.92Å; F348-H359 AromaticContact CE2-CE1 3.97Å; F348-H359 AromaticContact CE2-ND1 3.53Å; F348-H359 HydrophobicContact CG-CB 4.26Å; F348-H359 AromaticContact CG-CD2 3.51Å; F348-H359 AromaticContact CG-CE1 3.69Å; F348-H359 AromaticContact CG-CG 3.55Å; F348-H359 AromaticContact CG-ND1 3.67Å; F348-H359 AromaticContact CG-NE2 3.61Å; F348-H359 HydrophobicContact CZ-CB 3.87Å; F348-H359 AromaticContact CZ-CG 3.87Å; F348-H359 AromaticContact CZ-ND1 3.75Å; F348-Y360 HydrophobicContact CB-CE2 4.23Å; F348-Y360 HydrophobicContact CD1-CE2 4.32Å | ||
| 349 | H | 93.3 | Very high | 90.9 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 43% | 0.431 | 30% | 0.295 | S | S | . | . | trans | -127.5 | 144.6 | 178.2 | 67.7 | 44.7 | 0 | 0 | 0 | 111.9 | N337 F338 V347 | N337-H349 HydrophobicContact CB-CB 4.08Å; N337-H349 PolarHBondContact ND2-CE1 3.02Å; N337-H349 PolarHBondContact ND2-ND1 3.01Å; F338-H349 CarbonylContact O-C 3.56Å; F338-H349 VanDerWaalsContact O-CA 3.31Å; F338-H349 WeakPolarHBondContact O-CA 3.48Å; V347-H349 PolarHBondContact O-N 2.97Å | ||
| 350 | S | 93.8 | Very high | 90.8 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -131.9 | 144.3 | -179.3 | -173.2 | 0 | 0 | 0 | 0 | 111 | N337 F338 D352 | N337-S350 CarbonylContact C-O 3.48Å; N337-S350 WeakPolarHBondContact CA-O 3.43Å; F338-S350 PolarHBondContact N-O 3.36Å; F338-S350 PolarHBondContact O-N 3.22Å; S350-D352 WeakPolarHBondContact CB-O 3.48Å; S350-D352 PolarHBondContact O-N 3.2Å; S350-D352 PolarHBondContact OG-N 2.86Å; S350-D352 PolarHBondContact OG-O 3.47Å; S350-D352 VanDerWaalsContact OG-O 3.05Å |
| 351 | P | 93.5 | Very high | 90.8 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -63.7 | -21.6 | 171.9 | 28.3 | -36.5 | 0 | 0 | 0 | 112.8 | F338 | F338-P351 WeakPolarHBondContact CD2-O 3.45Å; F338-P351 WeakPolarHBondContact CE2-O 3.34Å |
| 352 | D | 94.3 | Very high | 90.7 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -125.1 | 143 | -177.3 | -66.7 | -59.5 | 0 | 0 | 0 | 111.9 | D273 S350 T354 G355 L356 | D273-D352 HydrophobicContact CB-CB 4.18Å; S350-D352 WeakPolarHBondContact CB-O 3.48Å; S350-D352 PolarHBondContact O-N 3.2Å; S350-D352 PolarHBondContact OG-N 2.86Å; S350-D352 PolarHBondContact OG-O 3.47Å; S350-D352 VanDerWaalsContact OG-O 3.05Å; D352-T354 PolarHBondContact O-N 2.88Å; D352-G355 PolarHBondContact O-N 3.13Å; D352-L356 PolarHBondContact O-N 3.2Å; D352-L356 VanDerWaalsContact O-N 3.09Å |
| 353 | I | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -35.4 | -178.6 | -70.5 | 177.3 | 0 | 0 | 0 | 111.3 | V271 I277 L306 F316 I331 F338 G355 L356 L357 | V271-I353 HydrophobicContact CG1-CD1 4.19Å; I277-I353 HydrophobicContact CD1-CB 3.96Å; I277-I353 HydrophobicContact CD1-CD1 4.01Å; I277-I353 HydrophobicContact CD1-CG1 4.48Å; I277-I353 HydrophobicContact CD1-CG2 4.13Å; I277-I353 HydrophobicContact CG1-CB 4.29Å; I277-I353 HydrophobicContact CG1-CG2 4.16Å; L306-I353 HydrophobicContact CD2-CG2 4.31Å; F316-I353 HydrophobicContact CD2-CD1 3.41Å; F316-I353 VanDerWaalsContact CD2-CD1 3.41Å; F316-I353 HydrophobicContact CE2-CD1 3.63Å; F316-I353 HydrophobicContact CG-CD1 4.45Å; I331-I353 HydrophobicContact CD1-CG2 3.76Å; I331-I353 HydrophobicContact CG2-CD1 4.31Å; I331-I353 HydrophobicContact CG2-CG1 4.29Å; F338-I353 HydrophobicContact CB-CG1 4.19Å; F338-I353 HydrophobicContact CD1-CD1 4.07Å; F338-I353 HydrophobicContact CD1-CG1 4.01Å; F338-I353 HydrophobicContact CD2-CG1 3.88Å; F338-I353 HydrophobicContact CE1-CD1 4.09Å; F338-I353 HydrophobicContact CE1-CG1 4.36Å; F338-I353 HydrophobicContact CE2-CG1 4.25Å; F338-I353 HydrophobicContact CG-CD1 4.32Å; F338-I353 HydrophobicContact CG-CG1 3.75Å; F338-I353 HydrophobicContact CZ-CD1 4.38Å; F338-I353 HydrophobicContact CZ-CG1 4.47Å; I353-G355 VanDerWaalsContact C-N 3.29Å; I353-G355 PolarHBondContact O-N 3.04Å; I353-L356 WeakPolarHBondContact O-CB 3.45Å; I353-L356 PolarHBondContact O-N 3.3Å; I353-L357 HydrophobicContact CG2-CD1 4.42Å; I353-L357 WeakPolarHBondContact O-CG 3.42Å; I353-L357 PolarHBondContact O-N 3.01Å |
| 354 | T | 93.9 | Very high | 90.7 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | 174.4 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | D273 D352 L357 E358 | D273-T354 WeakPolarHBondContact OD2-CB 3.44Å; D273-T354 PolarHBondContact OD2-N 3.49Å; D273-T354 PolarHBondContact OD2-OG1 3.22Å; D352-T354 PolarHBondContact O-N 2.88Å; T354-L357 PolarHBondContact O-N 3.02Å; T354-E358 PolarHBondContact O-N 3.12Å |
| 355 | G | 93.4 | Very high | 90.1 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | D352 I353 E358 H359 | D352-G355 PolarHBondContact O-N 3.13Å; I353-G355 VanDerWaalsContact C-N 3.29Å; I353-G355 PolarHBondContact O-N 3.04Å; G355-E358 PolarHBondContact O-N 2.88Å; G355-H359 PolarHBondContact O-N 3.37Å; G355-H359 VanDerWaalsContact O-N 3.14Å |
| 356 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 171 | -179 | 63.8 | 0 | 0 | 0 | 111.5 | I331 F338 F340 F348 D352 I353 E358 Y360 | I331-L356 HydrophobicContact CD1-CD2 4.37Å; I331-L356 HydrophobicContact CG1-CD2 4.34Å; I331-L356 HydrophobicContact CG2-CD2 3.89Å; F338-L356 HydrophobicContact CB-CD2 4.29Å; F340-L356 HydrophobicContact CD2-CD1 4.27Å; F340-L356 HydrophobicContact CE1-CD2 4.45Å; F340-L356 HydrophobicContact CE2-CD1 4.15Å; F340-L356 HydrophobicContact CE2-CD2 4.28Å; F340-L356 HydrophobicContact CE2-CG 4.06Å; F340-L356 HydrophobicContact CZ-CD2 4.21Å; F340-L356 HydrophobicContact CZ-CG 4.3Å; F348-L356 HydrophobicContact CD1-CD1 4.04Å; D352-L356 PolarHBondContact O-N 3.2Å; D352-L356 VanDerWaalsContact O-N 3.09Å; I353-L356 WeakPolarHBondContact O-CB 3.45Å; I353-L356 PolarHBondContact O-N 3.3Å; L356-E358 VanDerWaalsContact C-N 3.33Å; L356-E358 PolarHBondContact O-N 3.3Å; L356-Y360 HydrophobicContact CD1-CD2 4Å; L356-Y360 HydrophobicContact CD1-CE2 3.81Å; L356-Y360 WeakPolarHBondContact O-CD2 3.43Å |
| 357 | L | 94.3 | Very high | 90.3 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -34.6 | 177.5 | -65.2 | 175.5 | 0 | 0 | 0 | 112.7 | F304 L306 V318 I353 T354 L373 | F304-L357 HydrophobicContact CE2-CD2 4.25Å; L306-L357 HydrophobicContact CD2-CD1 4.22Å; V318-L357 HydrophobicContact CG2-CD2 3.6Å; I353-L357 HydrophobicContact CG2-CD1 4.42Å; I353-L357 WeakPolarHBondContact O-CG 3.42Å; I353-L357 PolarHBondContact O-N 3.01Å; T354-L357 PolarHBondContact O-N 3.02Å; L357-L373 HydrophobicContact CD2-CD1 3.66Å |
| 358 | E | 93.4 | Very high | 89.9 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -72.5 | -36.1 | 179.8 | -175.5 | 147.5 | -122.9 | 0 | 0 | 112.9 | T354 G355 L356 Y360 K361 | T354-E358 PolarHBondContact O-N 3.12Å; G355-E358 PolarHBondContact O-N 2.88Å; L356-E358 VanDerWaalsContact C-N 3.33Å; L356-E358 PolarHBondContact O-N 3.3Å; E358-Y360 VanDerWaalsContact C-N 3.31Å; E358-Y360 PolarHBondContact O-N 3.21Å; E358-K361 HydrophobicContact CG-CD 4.49Å; E358-K361 WeakPolarHBondContact O-CB 3.38Å; E358-K361 PolarHBondContact O-N 3.33Å; E358-K361 IonicContact OE1-NZ 2.84Å; E358-K361 PolarHBondContact OE1-NZ 3.01Å |
| 359 | H | 92.2 | Very high | 89.5 | Confident | 64 Ų | 64 | 63 Ų | 63 | 30% | 0.296 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 174.9 | -178.5 | 86.7 | 0 | 0 | 0 | 112.9 | F348 G355 K361 S365 | F348-H359 HydrophobicContact CD1-CB 3.57Å; F348-H359 AromaticContact CD1-CD2 3.58Å; F348-H359 AromaticContact CD1-CG 3.38Å; F348-H359 AromaticContact CD1-ND1 3.88Å; F348-H359 AromaticContact CD2-CE1 3.5Å; F348-H359 AromaticContact CD2-CG 3.88Å; F348-H359 AromaticContact CD2-ND1 3.5Å; F348-H359 WeakPolarHBondContact CD2-ND1 3.41Å; F348-H359 AromaticContact CD2-NE2 3.9Å; F348-H359 HydrophobicContact CE1-CB 3.34Å; F348-H359 AromaticContact CE1-CG 3.55Å; F348-H359 AromaticContact CE1-ND1 3.92Å; F348-H359 AromaticContact CE2-CE1 3.97Å; F348-H359 AromaticContact CE2-ND1 3.53Å; F348-H359 HydrophobicContact CG-CB 4.26Å; F348-H359 AromaticContact CG-CD2 3.51Å; F348-H359 AromaticContact CG-CE1 3.69Å; F348-H359 AromaticContact CG-CG 3.55Å; F348-H359 AromaticContact CG-ND1 3.67Å; F348-H359 AromaticContact CG-NE2 3.61Å; F348-H359 HydrophobicContact CZ-CB 3.87Å; F348-H359 AromaticContact CZ-CG 3.87Å; F348-H359 AromaticContact CZ-ND1 3.75Å; G355-H359 PolarHBondContact O-N 3.37Å; G355-H359 VanDerWaalsContact O-N 3.14Å; H359-K361 VanDerWaalsContact C-N 3.27Å; H359-K361 PolarHBondContact O-N 2.76Å; H359-S365 PolarHBondContact O-OG 3.36Å |
| 360 | Y | 92.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 11.9 | -177.5 | -76.1 | -69.1 | 0 | 0 | 0 | 114.4 | F340 F348 L356 E358 C366 E370 P371 L373 | F340-Y360 AromaticContact CD2-CD2 3.84Å; F340-Y360 HydrophobicContact CD2-CD2 3.84Å; F340-Y360 AromaticContact CD2-CE2 3.62Å; F340-Y360 HydrophobicContact CD2-CE2 3.62Å; F340-Y360 AromaticContact CE2-CD2 3.46Å; F340-Y360 HydrophobicContact CE2-CD2 3.46Å; F340-Y360 VanDerWaalsContact CE2-CD2 3.46Å; F340-Y360 AromaticContact CE2-CE2 3.76Å; F340-Y360 HydrophobicContact CE2-CE2 3.76Å; F340-Y360 HydrophobicContact CE2-CG 4.05Å; F348-Y360 HydrophobicContact CB-CE2 4.23Å; F348-Y360 HydrophobicContact CD1-CE2 4.32Å; L356-Y360 HydrophobicContact CD1-CD2 4Å; L356-Y360 HydrophobicContact CD1-CE2 3.81Å; L356-Y360 WeakPolarHBondContact O-CD2 3.43Å; E358-Y360 VanDerWaalsContact C-N 3.31Å; E358-Y360 PolarHBondContact O-N 3.21Å; Y360-C366 PolarHBondContact O-SG 3.31Å; Y360-C366 VanDerWaalsContact O-SG 3.35Å; Y360-E370 HydrophobicContact CD1-CB 4.26Å; Y360-E370 HydrophobicContact CE1-CB 3.76Å; Y360-E370 VanDerWaalsContact CE1-CD 3.48Å; Y360-E370 HydrophobicContact CE1-CG 4.1Å; Y360-E370 WeakPolarHBondContact CE1-OE1 3.15Å; Y360-E370 PolarHBondContact OH-OE1 2.8Å; Y360-P371 WeakPolarHBondContact CD1-O 3.42Å; Y360-L373 WeakPolarHBondContact O-CA 3.32Å; Y360-L373 WeakPolarHBondContact O-CB 3.21Å; Y360-L373 PolarHBondContact O-N 2.99Å |
| 361 | K | 92 | Very high | 89 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -37.8 | 178.8 | -177.4 | -175.6 | 170.7 | -165.6 | 0 | 112.8 | E358 H359 S374 | E358-K361 HydrophobicContact CG-CD 4.49Å; E358-K361 WeakPolarHBondContact O-CB 3.38Å; E358-K361 PolarHBondContact O-N 3.33Å; E358-K361 IonicContact OE1-NZ 2.84Å; E358-K361 PolarHBondContact OE1-NZ 3.01Å; H359-K361 VanDerWaalsContact C-N 3.27Å; H359-K361 PolarHBondContact O-N 2.76Å; K361-S374 WeakPolarHBondContact O-CA 3.43Å; K361-S374 WeakPolarHBondContact O-CB 3.41Å |
| 362 | D | 88.8 | Confident | 88.9 | Confident | 90 Ų | 90 | 56.8 Ų | 56.8 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -87.4 | 125.5 | -172 | -73.6 | -17.5 | 0 | 0 | 0 | 111.3 | S364 S365 C366 | D362-S364 PolarHBondContact O-N 3.33Å; D362-S365 PolarHBondContact O-N 3.38Å; D362-S365 VanDerWaalsContact O-N 3.14Å; D362-S365 PolarHBondContact O-OG 3Å; D362-C366 PolarHBondContact O-SG 3.41Å |
| 363 | P | 83.8 | Confident | 88.9 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.9 | -179.4 | -24.2 | 33.4 | 0 | 0 | 0 | 115 | L372 | P363-L372 HydrophobicContact CB-CD1 4.26Å; P363-L372 HydrophobicContact CG-CD1 4.22Å |
| 364 | S | 82.5 | Confident | 88.9 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 81% | 0.811 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -18.6 | 179.2 | 46.7 | 0 | 0 | 0 | 0 | 114.7 | D362 | D362-S364 PolarHBondContact O-N 3.33Š|
| 365 | S | 75.9 | Confident | 88.9 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -25.6 | 170.6 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | H359 D362 M367 | H359-S365 PolarHBondContact O-OG 3.36Å; D362-S365 PolarHBondContact O-N 3.38Å; D362-S365 VanDerWaalsContact O-N 3.14Å; D362-S365 PolarHBondContact O-OG 3Å; S365-M367 PolarHBondContact O-N 3.24Å |
| 366 | C | 83.9 | Confident | 89.1 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.081 | 32% | 0.318 | C | S | . | . | trans | -88.6 | 105.7 | -167.6 | -57.1 | 0 | 0 | 0 | 0 | 113.9 | Y360 D362 L372 | Y360-C366 PolarHBondContact O-SG 3.31Å; Y360-C366 VanDerWaalsContact O-SG 3.35Å; D362-C366 PolarHBondContact O-SG 3.41Å; C366-L372 HydrophobicContact CB-CD1 4.16Å | ||
| 367 | M | 85.6 | Confident | 89.2 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 53% | 0.532 | 33% | 0.325 | S | S | . | . | trans | -61 | 163.5 | 170.6 | -66.4 | -72.8 | -90.1 | 0 | 0 | 111.8 | R322 S365 F369 E370 | R322-M367 PolarHBondContact NH1-O 3.38Å; R322-M367 PolarHBondContact NH2-O 3.3Å; S365-M367 PolarHBondContact O-N 3.24Å; M367-F369 HydrophobicContact CB-CD1 4Å; M367-F369 HydrophobicContact CB-CE1 3.54Å; M367-F369 HydrophobicContact CB-CZ 3.82Å; M367-F369 HydrophobicContact CE-CE1 4.3Å; M367-F369 HydrophobicContact CG-CE1 4.18Å; M367-F369 HydrophobicContact CG-CZ 4.28Å; M367-F369 PolarHBondContact O-N 2.92Å; M367-F369 VanDerWaalsContact O-N 3.11Å; M367-E370 HydrophobicContact CB-CG 4.11Å; M367-E370 VanDerWaalsContact CB-OE2 3.28Å; M367-E370 WeakPolarHBondContact CB-OE2 3.12Å; M367-E370 PolarHBondContact N-OE2 3.14Å; M367-E370 PolarHBondContact O-N 3.35Å; M367-E370 VanDerWaalsContact O-N 3.13Å | ||
| 368 | F | 81.6 | Confident | 89.3 | Confident | 148 Ų | 148 | 64.2 Ų | 64.2 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23 | -172.1 | 72.1 | -92.3 | 0 | 0 | 0 | 115.1 | R322 Y323 | R322-F368 PolarHBondContact NH1-O 3.11Å; Y323-F368 WeakPolarHBondContact CE2-O 3.49Å; Y323-F368 PolarHBondContact OH-O 3.19Å |
| 369 | F | 81.1 | Confident | 89.3 | Confident | 131 Ų | 131 | 61 Ų | 61 | 58% | 0.575 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -13.8 | -179.8 | 55.9 | -93 | 0 | 0 | 0 | 113.6 | M367 | M367-F369 HydrophobicContact CB-CD1 4Å; M367-F369 HydrophobicContact CB-CE1 3.54Å; M367-F369 HydrophobicContact CB-CZ 3.82Å; M367-F369 HydrophobicContact CE-CE1 4.3Å; M367-F369 HydrophobicContact CG-CE1 4.18Å; M367-F369 HydrophobicContact CG-CZ 4.28Å; M367-F369 PolarHBondContact O-N 2.92Å; M367-F369 VanDerWaalsContact O-N 3.11Å |
| 370 | E | 88 | Confident | 89.5 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -85.6 | 168.9 | -172.1 | -62.6 | -175.9 | 110.2 | 0 | 0 | 113.1 | R322 Y360 M367 | R322-E370 PolarHBondContact NH1-O 2.91Å; Y360-E370 HydrophobicContact CD1-CB 4.26Å; Y360-E370 HydrophobicContact CE1-CB 3.76Å; Y360-E370 VanDerWaalsContact CE1-CD 3.48Å; Y360-E370 HydrophobicContact CE1-CG 4.1Å; Y360-E370 WeakPolarHBondContact CE1-OE1 3.15Å; Y360-E370 PolarHBondContact OH-OE1 2.8Å; M367-E370 HydrophobicContact CB-CG 4.11Å; M367-E370 VanDerWaalsContact CB-OE2 3.28Å; M367-E370 WeakPolarHBondContact CB-OE2 3.12Å; M367-E370 PolarHBondContact N-OE2 3.14Å; M367-E370 PolarHBondContact O-N 3.35Å; M367-E370 VanDerWaalsContact O-N 3.13Å |
| 371 | P | 88.8 | Confident | 89.6 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 5% | 0.045 | 37% | 0.368 | C | S | . | . | trans | -67.9 | 135.8 | 169.1 | -21.6 | 37.1 | 0 | 0 | 0 | 111.6 | F320 A329 F340 Y360 L373 | F320-P371 HydrophobicContact CD1-CB 4.13Å; F320-P371 HydrophobicContact CE1-CB 3.84Å; F320-P371 HydrophobicContact CE1-CG 4.08Å; F320-P371 HydrophobicContact CE2-CB 4.34Å; F320-P371 HydrophobicContact CZ-CB 3.95Å; F320-P371 HydrophobicContact CZ-CG 4.22Å; A329-P371 HydrophobicContact CB-CG 3.91Å; F340-P371 HydrophobicContact CD1-CG 4.3Å; F340-P371 HydrophobicContact CD2-CG 3.67Å; F340-P371 HydrophobicContact CE1-CG 4.32Å; F340-P371 HydrophobicContact CE2-CB 4.17Å; F340-P371 HydrophobicContact CE2-CG 3.68Å; F340-P371 HydrophobicContact CG-CG 3.99Å; F340-P371 HydrophobicContact CZ-CB 4.39Å; F340-P371 HydrophobicContact CZ-CG 4.03Å; Y360-P371 WeakPolarHBondContact CD1-O 3.42Å; P371-L373 HydrophobicContact CB-CD1 4.35Å; P371-L373 HydrophobicContact CB-CD2 3.81Å; P371-L373 HydrophobicContact CB-CG 4.04Å | ||
| 372 | L | 93.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 9% | 0.089 | 39% | 0.385 | C | S | . | . | trans | -110.1 | 112.9 | 170.2 | 177.8 | 63.3 | 0 | 0 | 0 | 108.7 | E301 G302 P363 C366 | E301-L372 HydrophobicContact CG-CD2 4.3Å; G302-L372 WeakPolarHBondContact CA-O 3.48Å; P363-L372 HydrophobicContact CB-CD1 4.26Å; P363-L372 HydrophobicContact CG-CD1 4.22Å; C366-L372 HydrophobicContact CB-CD1 4.16Å | ||
| 373 | L | 94.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | trans | -119.7 | 42 | -165.4 | -49.3 | -175.5 | 0 | 0 | 0 | 111.8 | F304 V318 F320 F340 L357 Y360 P371 | F304-L373 HydrophobicContact CB-CD2 3.65Å; F304-L373 VanDerWaalsContact CD1-C 3.46Å; F304-L373 HydrophobicContact CD1-CB 3.75Å; F304-L373 HydrophobicContact CD1-CD2 4.47Å; F304-L373 WeakPolarHBondContact CD1-O 3.28Å; F304-L373 HydrophobicContact CD2-CB 4.16Å; F304-L373 HydrophobicContact CD2-CD2 4.04Å; F304-L373 HydrophobicContact CD2-CG 4.48Å; F304-L373 HydrophobicContact CE1-CB 3.92Å; F304-L373 WeakPolarHBondContact CE1-O 3.36Å; F304-L373 HydrophobicContact CE2-CB 4.3Å; F304-L373 HydrophobicContact CG-CB 3.88Å; F304-L373 HydrophobicContact CG-CD2 3.81Å; F304-L373 HydrophobicContact CG-CG 4.38Å; F304-L373 HydrophobicContact CZ-CB 4.18Å; V318-L373 HydrophobicContact CG1-CD1 4.14Å; V318-L373 HydrophobicContact CG1-CD2 3.49Å; V318-L373 VanDerWaalsContact CG1-CD2 3.49Å; F320-L373 HydrophobicContact CB-CD2 3.84Å; F320-L373 HydrophobicContact CD1-CD2 4.44Å; F320-L373 HydrophobicContact CG-CD2 4.16Å; F340-L373 HydrophobicContact CZ-CD1 4.26Å; L357-L373 HydrophobicContact CD2-CD1 3.66Å; Y360-L373 WeakPolarHBondContact O-CA 3.32Å; Y360-L373 WeakPolarHBondContact O-CB 3.21Å; Y360-L373 PolarHBondContact O-N 2.99Å; P371-L373 HydrophobicContact CB-CD1 4.35Å; P371-L373 HydrophobicContact CB-CD2 3.81Å; P371-L373 HydrophobicContact CB-CG 4.04Å | ||
| 374 | S | 92.8 | Very high | 90.8 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 31% | 0.308 | 36% | 0.363 | S | S | . | . | trans | -72.1 | -31.4 | -173.4 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | G302 K361 | G302-S374 WeakPolarHBondContact CA-OG 3.49Å; G302-S374 PolarHBondContact O-N 3.17Å; G302-S374 PolarHBondContact O-OG 3.31Å; K361-S374 WeakPolarHBondContact O-CA 3.43Å; K361-S374 WeakPolarHBondContact O-CB 3.41Å | ||
| 375 | T | 95.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 66.2 Ų | 66.2 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 101.8 | -168.4 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | G302 T303 F304 L377 | G302-T375 PolarHBondContact O-N 2.86Å; T303-T375 CarbonylContact C-O 3.58Å; T303-T375 VanDerWaalsContact CA-O 3.29Å; T303-T375 WeakPolarHBondContact CA-O 3.49Å; F304-T375 WeakPolarHBondContact CD1-O 3.24Å; F304-T375 PolarHBondContact N-O 3.29Å; T375-L377 PolarHBondContact O-N 2.78Å |
| 376 | P | 96.4 | Very high | 92.5 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.9 | 179.4 | 27.3 | -33.3 | 0 | 0 | 0 | 111.7 | C282 F304 N378 | C282-P376 HydrophobicContact CB-CB 3.6Å; F304-P376 HydrophobicContact CE1-CB 3.84Å; F304-P376 HydrophobicContact CZ-CB 3.99Å; P376-N378 PolarHBondContact O-N 2.78Å |
| 377 | L | 96.5 | Very high | 93.1 | Very high | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | trans | -83.2 | 100.1 | 170.5 | -172.8 | 73.4 | 0 | 0 | 0 | 109.3 | W284 L295 L296 T303 F304 L305 T375 R379 | W284-L377 HydrophobicContact CZ2-CD2 4.12Å; W284-L377 HydrophobicContact CZ2-CG 4.14Å; W284-L377 PolarHBondContact NE1-O 3.46Å; L295-L377 HydrophobicContact CB-CD2 3.9Å; L296-L377 HydrophobicContact CD2-CD2 4.47Å; T303-L377 HydrophobicContact CG2-CB 4.08Å; T303-L377 HydrophobicContact CG2-CD1 4.35Å; F304-L377 WeakPolarHBondContact O-CB 3.39Å; F304-L377 PolarHBondContact O-N 2.66Å; L305-L377 HydrophobicContact CB-CB 4.43Å; L305-L377 HydrophobicContact CD2-CD2 3.92Å; T375-L377 PolarHBondContact O-N 2.78Å; L377-R379 PolarHBondContact O-N 2.87Å | ||
| 378 | N | 96.3 | Very high | 93.6 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | trans | -66.1 | 130.5 | -175.6 | -66.3 | -21.1 | 0 | 0 | 0 | 113 | P281 W284 P376 | P281-N378 HydrophobicContact CB-CB 4.18Å; P281-N378 WeakPolarHBondContact CB-OD1 3.42Å; P281-N378 WeakPolarHBondContact CG-OD1 3.38Å; P281-N378 CarbonylContact O-C 3.5Å; P281-N378 WeakPolarHBondContact O-CA 3.22Å; W284-N378 WeakPolarHBondContact CZ2-O 3.4Å; P376-N378 PolarHBondContact O-N 2.78Å | ||
| 379 | R | 95.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | trans | -60.1 | 139.4 | 172 | 170.3 | 175.1 | 47.1 | 112.5 | -6.3 | 111.7 | N278 P281 Y283 W284 L377 F381 | N278-R379 PolarHBondContact O-NH2 3.39Å; P281-R379 PolarHBondContact O-N 2.85Å; Y283-R379 WeakPolarHBondContact O-CD 3.4Å; Y283-R379 PolarHBondContact O-NE 3.2Å; W284-R379 HydrophobicContact CD2-CB 4.07Å; W284-R379 HydrophobicContact CD2-CG 4.46Å; W284-R379 HydrophobicContact CE3-CB 4.49Å; W284-R379 HydrophobicContact CE3-CG 4.46Å; W284-R379 HydrophobicContact CG-CB 4.32Å; W284-R379 HydrophobicContact CZ2-CB 4.46Å; L377-R379 PolarHBondContact O-N 2.87Å; R379-F381 VanDerWaalsContact CD-O 3.27Å; R379-F381 WeakPolarHBondContact CD-O 3.26Å; R379-F381 HydrophobicContact CG-CD1 3.93Å; R379-F381 HydrophobicContact CG-CD2 4.34Å; R379-F381 HydrophobicContact CG-CE1 3.87Å; R379-F381 HydrophobicContact CG-CE2 4.26Å; R379-F381 HydrophobicContact CG-CG 4.17Å; R379-F381 HydrophobicContact CG-CZ 4.02Å; R379-F381 WeakPolarHBondContact CG-O 3.34Å; R379-F381 PolarHBondContact NH1-O 2.62Å | ||
| 380 | T | 95.6 | Very high | 95.1 | Very high | 123 Ų | 123 | 58.4 Ų | 58.4 | 76% | 0.755 | 33% | 0.325 | S | S | * | . | trans | -102.4 | 4.4 | -174.3 | 56 | 0 | 0 | 0 | 0 | 115.2 | W284 | W284-T380 HydrophobicContact CH2-CG2 4.5Š| ||
| 381 | F | 94.8 | Very high | 95.4 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -138.9 | 147.7 | -176.6 | 60.8 | -92.3 | 0 | 0 | 0 | 112.8 | W284 R379 F383 | W284-F381 AromaticContact CE3-CE1 3.6Å; W284-F381 HydrophobicContact CE3-CE1 3.6Å; W284-F381 HydrophobicContact CE3-CZ 4.22Å; W284-F381 HydrophobicContact CZ3-CD1 4.4Å; W284-F381 AromaticContact CZ3-CE1 3.8Å; W284-F381 HydrophobicContact CZ3-CE1 3.8Å; R379-F381 VanDerWaalsContact CD-O 3.27Å; R379-F381 WeakPolarHBondContact CD-O 3.26Å; R379-F381 HydrophobicContact CG-CD1 3.93Å; R379-F381 HydrophobicContact CG-CD2 4.34Å; R379-F381 HydrophobicContact CG-CE1 3.87Å; R379-F381 HydrophobicContact CG-CE2 4.26Å; R379-F381 HydrophobicContact CG-CG 4.17Å; R379-F381 HydrophobicContact CG-CZ 4.02Å; R379-F381 WeakPolarHBondContact CG-O 3.34Å; R379-F381 PolarHBondContact NH1-O 2.62Å; F381-F383 HydrophobicContact CE2-CD1 4.19Å; F381-F383 HydrophobicContact CE2-CE1 4.1Å |
| 382 | P | 95.8 | Very high | 95.8 | Very high | 114 Ų | 114 | 60.6 Ų | 60.6 | 74% | 0.74 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 153.7 | 173.7 | 32.4 | -35.4 | 0 | 0 | 0 | 111.9 | ||
| 383 | F | 96.6 | Very high | 96 | Very high | 32 Ų | 32 | 63.1 Ų | 63.1 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 167 | 171.4 | -67.1 | -44.3 | 0 | 0 | 0 | 111.7 | N278 Y283 F381 H387 I388 | N278-F383 WeakPolarHBondContact OD1-CD2 3.36Å; N278-F383 WeakPolarHBondContact OD1-CE2 2.96Å; Y283-F383 AromaticContact CD1-CE2 3.63Å; Y283-F383 HydrophobicContact CD1-CE2 3.63Å; Y283-F383 AromaticContact CD1-CZ 3.58Å; Y283-F383 HydrophobicContact CD1-CZ 3.58Å; Y283-F383 AromaticContact CE1-CE2 3.74Å; Y283-F383 HydrophobicContact CE1-CE2 3.74Å; Y283-F383 AromaticContact CE1-CZ 3.66Å; Y283-F383 HydrophobicContact CE1-CZ 3.66Å; Y283-F383 HydrophobicContact CG-CZ 4.49Å; F381-F383 HydrophobicContact CE2-CD1 4.19Å; F381-F383 HydrophobicContact CE2-CE1 4.1Å; F383-H387 HydrophobicContact CB-CB 4.45Å; F383-H387 AromaticContact CD2-CD2 3.91Å; F383-H387 AromaticContact CD2-NE2 3.92Å; F383-H387 AromaticContact CE2-NE2 3.84Å; F383-I388 HydrophobicContact CB-CD1 4.44Å; F383-I388 HydrophobicContact CB-CG1 4.21Å |
| 384 | S | 97 | Very high | 96 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 49% | 0.49 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 147.1 | 174.5 | 74.2 | 0 | 0 | 0 | 0 | 111.1 | Q386 H387 I388 | S384-Q386 PolarHBondContact O-N 3.02Å; S384-H387 WeakPolarHBondContact O-CB 3.28Å; S384-H387 PolarHBondContact O-N 2.88Å; S384-H387 PolarHBondContact OG-N 2.84Å; S384-I388 WeakPolarHBondContact O-CG1 3.46Å; S384-I388 PolarHBondContact O-N 3.16Å |
| 385 | L | 97.5 | Very high | 96.1 | Very high | 133 Ų | 133 | 65.6 Ų | 65.6 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -56.3 | -34.9 | 176.2 | -179.6 | 61.2 | 0 | 0 | 0 | 111.9 | H387 I388 C389 | L385-H387 VanDerWaalsContact C-N 3.34Å; L385-H387 PolarHBondContact O-N 3.02Å; L385-I388 PolarHBondContact O-N 3.4Å; L385-C389 WeakPolarHBondContact O-CB 3.19Å; L385-C389 PolarHBondContact O-N 2.69Å; L385-C389 PolarHBondContact O-SG 3.24Å |
| 386 | Q | 96.3 | Very high | 96.1 | Very high | 119 Ų | 119 | 67.7 Ų | 67.7 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 176.6 | -172.7 | -173 | -30.8 | 0 | 0 | 112.2 | S384 R390 Y414 | S384-Q386 PolarHBondContact O-N 3.02Å; Q386-R390 WeakPolarHBondContact O-CB 3.19Å; Q386-R390 PolarHBondContact O-N 3.38Å; Q386-R390 VanDerWaalsContact O-N 3.09Å; Q386-Y414 HydrophobicContact CG-CD1 4.24Å; Q386-Y414 HydrophobicContact CG-CE1 3.6Å; Q386-Y414 VanDerWaalsContact NE2-CD1 3.33Å; Q386-Y414 VanDerWaalsContact NE2-CE1 3.27Å |
| 387 | H | 96.7 | Very high | 96 | Very high | 18 Ų | 18 | 66.6 Ų | 66.6 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.6 | -42 | 177.2 | -170.9 | 97.6 | 0 | 0 | 0 | 111.5 | N278 Y283 F383 S384 L385 R390 T391 Y414 Y418 | N278-H387 PolarHBondContact ND2-NE2 3.22Å; N278-H387 PolarHBondContact OD1-CD2 3.25Å; N278-H387 PolarHBondContact OD1-NE2 3.06Å; Y283-H387 AromaticContact CE1-NE2 3.48Å; Y283-H387 WeakPolarHBondContact CE1-NE2 3.47Å; F383-H387 HydrophobicContact CB-CB 4.45Å; F383-H387 AromaticContact CD2-CD2 3.91Å; F383-H387 AromaticContact CD2-NE2 3.92Å; F383-H387 AromaticContact CE2-NE2 3.84Å; S384-H387 WeakPolarHBondContact O-CB 3.28Å; S384-H387 PolarHBondContact O-N 2.88Å; S384-H387 PolarHBondContact OG-N 2.84Å; L385-H387 VanDerWaalsContact C-N 3.34Å; L385-H387 PolarHBondContact O-N 3.02Å; H387-R390 WeakPolarHBondContact O-CB 3.16Å; H387-R390 PolarHBondContact O-N 3.46Å; H387-R390 VanDerWaalsContact O-N 3.16Å; H387-T391 WeakPolarHBondContact O-CG2 3.35Å; H387-T391 PolarHBondContact O-N 2.59Å; H387-Y414 WeakPolarHBondContact CA-OH 3.43Å; H387-Y418 AromaticContact CE1-CE2 2.96Å; H387-Y418 WeakPolarHBondContact CE1-CE2 3.43Å; H387-Y418 AromaticContact CE1-CZ 3.06Å; H387-Y418 PolarHBondContact CE1-OH 2.95Å |
| 388 | I | 96.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 40% | 0.395 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -42 | 176.8 | -62.4 | 165 | 0 | 0 | 0 | 111.4 | F383 S384 L385 R390 T391 V392 | F383-I388 HydrophobicContact CB-CD1 4.44Å; F383-I388 HydrophobicContact CB-CG1 4.21Å; S384-I388 WeakPolarHBondContact O-CG1 3.46Å; S384-I388 PolarHBondContact O-N 3.16Å; L385-I388 PolarHBondContact O-N 3.4Å; I388-R390 VanDerWaalsContact C-N 3.3Å; I388-R390 PolarHBondContact O-N 3.02Å; I388-T391 PolarHBondContact O-OG1 2.84Å; I388-V392 WeakPolarHBondContact O-CG2 3.29Å; I388-V392 PolarHBondContact O-N 2.8Å |
| 389 | C | 96.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 173.4 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | L385 I393 | L385-C389 WeakPolarHBondContact O-CB 3.19Å; L385-C389 PolarHBondContact O-N 2.69Å; L385-C389 PolarHBondContact O-SG 3.24Å; C389-I393 WeakPolarHBondContact O-CD1 3.41Å; C389-I393 WeakPolarHBondContact O-CG1 3.48Å; C389-I393 PolarHBondContact O-N 2.97Å |
| 390 | R | 96.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.008 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 177.8 | 161.4 | 174.7 | -179.4 | -160.6 | 13.2 | 112.7 | Q386 H387 I388 V392 I393 C394 Y414 L415 E417 Y418 | Q386-R390 WeakPolarHBondContact O-CB 3.19Å; Q386-R390 PolarHBondContact O-N 3.38Å; Q386-R390 VanDerWaalsContact O-N 3.09Å; H387-R390 WeakPolarHBondContact O-CB 3.16Å; H387-R390 PolarHBondContact O-N 3.46Å; H387-R390 VanDerWaalsContact O-N 3.16Å; I388-R390 VanDerWaalsContact C-N 3.3Å; I388-R390 PolarHBondContact O-N 3.02Å; R390-V392 VanDerWaalsContact C-N 3.29Å; R390-V392 PolarHBondContact O-N 2.61Å; R390-I393 PolarHBondContact O-N 3.21Å; R390-I393 VanDerWaalsContact O-N 3.16Å; R390-C394 WeakPolarHBondContact O-CB 2.89Å; R390-C394 PolarHBondContact O-N 3.24Å; R390-C394 PolarHBondContact O-SG 3.03Å; R390-C394 VanDerWaalsContact O-SG 3.38Å; R390-Y414 HydrophobicContact CB-CE1 3.87Å; R390-Y414 VanDerWaalsContact CD-CE1 3.41Å; R390-Y414 HydrophobicContact CG-CE1 4.28Å; R390-Y414 PolarHBondContact NE-O 3.37Å; R390-Y414 PolarHBondContact NH1-O 2.71Å; R390-Y414 PolarHBondContact NH2-O 3.15Å; R390-L415 HydrophobicContact CB-CD2 3.75Å; R390-L415 HydrophobicContact CG-CD2 3.69Å; R390-L415 PolarHBondContact NE-O 3.2Å; R390-L415 PolarHBondContact NH2-O 3.19Å; R390-L415 VanDerWaalsContact NH2-O 3.12Å; R390-E417 IonicContact CZ-OE2 3.51Å; R390-E417 IonicContact NH1-OE2 3.32Å; R390-E417 PolarHBondContact NH1-OE2 3.34Å; R390-E417 IonicContact NH2-OE2 2.67Å; R390-Y418 VanDerWaalsContact NH1-CE2 3.3Å |
| 391 | T | 96.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | -177.1 | 58.2 | 0 | 0 | 0 | 0 | 111 | L274 N278 H387 I388 N395 | L274-T391 HydrophobicContact CG-CG2 4.29Å; N278-T391 HydrophobicContact CB-CG2 3.89Å; N278-T391 VanDerWaalsContact ND2-CG2 3.35Å; N278-T391 WeakPolarHBondContact ND2-CG2 3.49Å; H387-T391 WeakPolarHBondContact O-CG2 3.35Å; H387-T391 PolarHBondContact O-N 2.59Å; I388-T391 PolarHBondContact O-OG1 2.84Å; T391-N395 WeakPolarHBondContact O-CB 3.4Å; T391-N395 PolarHBondContact O-N 3.4Å |
| 392 | V | 96.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 172.9 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | L275 I388 R390 N395 C396 | L275-V392 HydrophobicContact CD1-CG2 4.18Å; I388-V392 WeakPolarHBondContact O-CG2 3.29Å; I388-V392 PolarHBondContact O-N 2.8Å; R390-V392 VanDerWaalsContact C-N 3.29Å; R390-V392 PolarHBondContact O-N 2.61Å; V392-N395 PolarHBondContact O-N 3.42Å; V392-C396 PolarHBondContact O-N 3.09Å |
| 393 | I | 95.9 | Very high | 95.7 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 36% | 0.359 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 177.4 | -69.3 | 162.5 | 0 | 0 | 0 | 111.2 | C389 R390 N395 C396 T397 L405 L415 | C389-I393 WeakPolarHBondContact O-CD1 3.41Å; C389-I393 WeakPolarHBondContact O-CG1 3.48Å; C389-I393 PolarHBondContact O-N 2.97Å; R390-I393 PolarHBondContact O-N 3.21Å; R390-I393 VanDerWaalsContact O-N 3.16Å; I393-N395 VanDerWaalsContact C-N 3.29Å; I393-N395 PolarHBondContact O-N 2.98Å; I393-C396 CarbonylContact O-C 3.6Å; I393-C396 PolarHBondContact O-N 3.46Å; I393-T397 HydrophobicContact CG2-CG2 4.47Å; I393-T397 WeakPolarHBondContact O-CG2 3.41Å; I393-T397 PolarHBondContact O-N 3.05Å; I393-L405 HydrophobicContact CG2-CD1 4.02Å; I393-L415 HydrophobicContact CB-CD2 4.25Å; I393-L415 HydrophobicContact CD1-CD2 4.39Å; I393-L415 HydrophobicContact CG2-CD1 3.76Å; I393-L415 HydrophobicContact CG2-CD2 4.09Å |
| 394 | C | 95.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 177.9 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | L270 L274 R390 C396 T397 | L270-C394 HydrophobicContact CD1-CB 4.29Å; L274-C394 HydrophobicContact CD2-CB 3.96Å; R390-C394 WeakPolarHBondContact O-CB 2.89Å; R390-C394 PolarHBondContact O-N 3.24Å; R390-C394 PolarHBondContact O-SG 3.03Å; R390-C394 VanDerWaalsContact O-SG 3.38Å; C394-C396 PolarHBondContact O-N 3.14Å; C394-T397 VanDerWaalsContact O-O 3.07Å |
| 395 | N | 95.2 | Very high | 95.5 | Very high | 86 Ų | 86 | 60.5 Ų | 60.5 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.4 | 173.8 | -163.9 | 106.9 | 0 | 0 | 0 | 113.3 | L275 T391 V392 I393 | L275-N395 HydrophobicContact CB-CB 4.12Å; L275-N395 VanDerWaalsContact CB-OD1 3.26Å; L275-N395 WeakPolarHBondContact CB-OD1 3.48Å; L275-N395 HydrophobicContact CD2-CB 3.93Å; L275-N395 WeakPolarHBondContact CD2-OD1 3.26Å; T391-N395 WeakPolarHBondContact O-CB 3.4Å; T391-N395 PolarHBondContact O-N 3.4Å; V392-N395 PolarHBondContact O-N 3.42Å; I393-N395 VanDerWaalsContact C-N 3.29Å; I393-N395 PolarHBondContact O-N 2.98Å |
| 396 | C | 94.6 | Very high | 95.5 | Very high | 107 Ų | 107 | 60.7 Ų | 60.7 | 72% | 0.723 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 11.6 | -177.9 | -65 | 0 | 0 | 0 | 0 | 113.3 | V392 I393 C394 | V392-C396 PolarHBondContact O-N 3.09Å; I393-C396 CarbonylContact O-C 3.6Å; I393-C396 PolarHBondContact O-N 3.46Å; C394-C396 PolarHBondContact O-N 3.14Å |
| 397 | T | 94.8 | Very high | 95.5 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -152.8 | 168.4 | -176.9 | -156.3 | 0 | 0 | 0 | 0 | 112.4 | L270 I393 C394 I402 | L270-T397 HydrophobicContact CD1-CG2 4.33Å; I393-T397 HydrophobicContact CG2-CG2 4.47Å; I393-T397 WeakPolarHBondContact O-CG2 3.41Å; I393-T397 PolarHBondContact O-N 3.05Å; C394-T397 VanDerWaalsContact O-O 3.07Å; T397-I402 HydrophobicContact CG2-CD1 4.44Å; T397-I402 HydrophobicContact CG2-CG1 3.71Å |
| 398 | T | 94.7 | Very high | 95.5 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 55% | 0.552 | 37% | 0.366 | S | S | * | . | trans | -101.4 | 170.9 | 173 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | D400 G401 I402 | T398-D400 VanDerWaalsContact C-N 3.3Å; T398-D400 PolarHBondContact O-N 3.39Å; T398-G401 PolarHBondContact O-N 3.4Å; T398-G401 VanDerWaalsContact O-N 3.12Å; T398-G401 PolarHBondContact OG1-N 3.48Å; T398-G401 VanDerWaalsContact OG1-N 3.13Å; T398-I402 PolarHBondContact O-N 2.84Å | ||
| 399 | Y | 94.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -44.9 | 178.4 | -172.9 | -94.1 | 0 | 0 | 0 | 112.1 | H268 L270 I402 K416 H419 | H268-Y399 HydrophobicContact CB-CD1 3.66Å; H268-Y399 HydrophobicContact CB-CD2 4.03Å; H268-Y399 HydrophobicContact CB-CE1 3.41Å; H268-Y399 VanDerWaalsContact CB-CE1 3.41Å; H268-Y399 HydrophobicContact CB-CE2 3.81Å; H268-Y399 HydrophobicContact CB-CG 3.95Å; H268-Y399 VanDerWaalsContact CB-CZ 3.48Å; H268-Y399 AromaticContact CG-CZ 3.95Å; H268-Y399 VanDerWaalsContact O-CB 3.24Å; H268-Y399 WeakPolarHBondContact O-CB 3.33Å; L270-Y399 HydrophobicContact CD2-CD2 4.02Å; L270-Y399 HydrophobicContact CG-CD2 4.39Å; Y399-I402 WeakPolarHBondContact O-CB 3.38Å; Y399-K416 HydrophobicContact CD1-CD 4.5Å; Y399-K416 HydrophobicContact CD2-CB 4.38Å; Y399-K416 HydrophobicContact CD2-CD 4.36Å; Y399-K416 HydrophobicContact CD2-CG 3.92Å; Y399-K416 HydrophobicContact CE1-CD 3.96Å; Y399-K416 HydrophobicContact CE2-CB 3.68Å; Y399-K416 HydrophobicContact CE2-CD 3.79Å; Y399-K416 HydrophobicContact CE2-CG 3.54Å; Y399-K416 WeakPolarHBondContact O-CE 3.17Å; Y399-H419 HydrophobicContact CD2-CB 3.81Å; Y399-H419 HydrophobicContact CE2-CB 3.69Å; Y399-H419 AromaticContact CE2-CG 3.65Å; Y399-H419 AromaticContact CE2-ND1 3.84Å |
| 400 | D | 93.9 | Very high | 95.4 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -30 | 177.4 | -47.7 | -54.8 | 0 | 0 | 0 | 112 | T398 I402 D403 | T398-D400 VanDerWaalsContact C-N 3.3Å; T398-D400 PolarHBondContact O-N 3.39Å; D400-I402 PolarHBondContact O-N 3.27Å; D400-D403 WeakPolarHBondContact O-CB 3.5Å; D400-D403 PolarHBondContact O-N 2.86Å |
| 401 | G | 93.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 65.4 Ų | 65.4 | 19% | 0.186 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.1 | -29.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T398 D403 A404 | T398-G401 PolarHBondContact O-N 3.4Å; T398-G401 VanDerWaalsContact O-N 3.12Å; T398-G401 PolarHBondContact OG1-N 3.48Å; T398-G401 VanDerWaalsContact OG1-N 3.13Å; G401-D403 PolarHBondContact O-N 2.95Å; G401-A404 PolarHBondContact O-N 2.64Å; G401-A404 VanDerWaalsContact O-N 3.15Å |
| 402 | I | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.4 | -32.1 | 172.8 | -67.3 | 165.1 | 0 | 0 | 0 | 112 | L270 T397 T398 Y399 D400 A404 L405 K412 L415 K416 | L270-I402 HydrophobicContact CD1-CD1 3.96Å; L270-I402 HydrophobicContact CD2-CD1 3.98Å; L270-I402 HydrophobicContact CG-CD1 4.47Å; T397-I402 HydrophobicContact CG2-CD1 4.44Å; T397-I402 HydrophobicContact CG2-CG1 3.71Å; T398-I402 PolarHBondContact O-N 2.84Å; Y399-I402 WeakPolarHBondContact O-CB 3.38Å; D400-I402 PolarHBondContact O-N 3.27Å; I402-A404 VanDerWaalsContact C-N 3.31Å; I402-A404 PolarHBondContact O-N 2.75Å; I402-L405 HydrophobicContact CG1-CD1 4.49Å; I402-L405 WeakPolarHBondContact O-CB 3.35Å; I402-L405 PolarHBondContact O-N 2.91Å; I402-K412 HydrophobicContact CG2-CB 3.81Å; I402-K412 HydrophobicContact CG2-CG 4.02Å; I402-K412 WeakPolarHBondContact O-CD 3.32Å; I402-K412 VanDerWaalsContact O-CE 3.28Å; I402-K412 WeakPolarHBondContact O-CE 3.46Å; I402-L415 HydrophobicContact CD1-CB 3.75Å; I402-L415 HydrophobicContact CG1-CB 4.23Å; I402-L415 HydrophobicContact CG1-CD1 4.29Å; I402-L415 HydrophobicContact CG2-CB 4.13Å; I402-L415 HydrophobicContact CG2-CD1 4.05Å; I402-K416 HydrophobicContact CB-CG 4.35Å; I402-K416 HydrophobicContact CD1-CG 3.68Å; I402-K416 HydrophobicContact CG2-CD 4.42Å; I402-K416 HydrophobicContact CG2-CG 4.11Å |
| 403 | D | 94.8 | Very high | 95.4 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74.2 | -22.4 | -180 | -64.2 | -33.2 | 0 | 0 | 0 | 112.8 | D400 G401 L405 K412 K416 | D400-D403 WeakPolarHBondContact O-CB 3.5Å; D400-D403 PolarHBondContact O-N 2.86Å; G401-D403 PolarHBondContact O-N 2.95Å; D403-L405 VanDerWaalsContact C-N 3.35Å; D403-K412 PolarHBondContact O-NZ 3.28Å; D403-K416 IonicContact OD1-NZ 2.61Å; D403-K416 PolarHBondContact OD1-NZ 2.99Å; D403-K416 IonicContact OD2-NZ 3.17Å; D403-K416 PolarHBondContact OD2-NZ 3.12Å |
| 404 | A | 95.3 | Very high | 95.4 | Very high | 88 Ų | 88 | 68.8 Ų | 68.8 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -76.7 | -18.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G401 I402 | G401-A404 PolarHBondContact O-N 2.64Å; G401-A404 VanDerWaalsContact O-N 3.15Å; I402-A404 VanDerWaalsContact C-N 3.31Å; I402-A404 PolarHBondContact O-N 2.75Å |
| 405 | L | 95.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -66.3 | 140.9 | -174.5 | -63.6 | 177.9 | 0 | 0 | 0 | 112.6 | I393 I402 D403 I407 K412 L415 | I393-L405 HydrophobicContact CG2-CD1 4.02Å; I402-L405 HydrophobicContact CG1-CD1 4.49Å; I402-L405 WeakPolarHBondContact O-CB 3.35Å; I402-L405 PolarHBondContact O-N 2.91Å; D403-L405 VanDerWaalsContact C-N 3.35Å; L405-I407 HydrophobicContact CB-CD1 3.89Å; L405-I407 HydrophobicContact CB-CG1 3.76Å; L405-I407 HydrophobicContact CD1-CD1 3.95Å; L405-I407 PolarHBondContact O-N 2.85Å; L405-K412 WeakPolarHBondContact O-CE 3.4Å; L405-K412 PolarHBondContact O-NZ 3.35Å; L405-L415 HydrophobicContact CD1-CD1 3.81Å |
| 406 | P | 96.1 | Very high | 95.4 | Very high | 137 Ų | 137 | 65.4 Ų | 65.4 | 89% | 0.89 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -80.8 | 53.5 | -178.9 | 34.8 | -37.5 | 0 | 0 | 0 | 112.4 | ||
| 407 | I | 96.2 | Very high | 95.4 | Very high | 54 Ų | 54 | 65.4 Ų | 65.4 | 28% | 0.277 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -127.5 | 155.1 | -174.6 | 58.2 | 175.9 | 0 | 0 | 0 | 111.8 | L405 V411 K412 L415 | L405-I407 HydrophobicContact CB-CD1 3.89Å; L405-I407 HydrophobicContact CB-CG1 3.76Å; L405-I407 HydrophobicContact CD1-CD1 3.95Å; L405-I407 PolarHBondContact O-N 2.85Å; I407-V411 HydrophobicContact CB-CB 4.42Å; I407-V411 HydrophobicContact CD1-CB 4.17Å; I407-V411 HydrophobicContact CD1-CG1 3.97Å; I407-K412 HydrophobicContact CD1-CG 3.93Å; I407-K412 HydrophobicContact CG1-CD 4.45Å; I407-K412 HydrophobicContact CG1-CG 3.72Å; I407-K412 WeakPolarHBondContact O-CE 3.2Å; I407-L415 HydrophobicContact CD1-CD1 3.59Å |
| 408 | P | 97.3 | Very high | 95.4 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 51% | 0.506 | 37% | 0.374 | S | S | . | . | trans | -60.1 | 147.8 | 179.7 | -24.1 | 34.3 | 0 | 0 | 0 | 112.9 | S410 V411 K412 | P408-S410 PolarHBondContact O-N 2.86Å; P408-S410 VanDerWaalsContact O-N 3.12Å; P408-V411 HydrophobicContact CB-CG2 4.3Å; P408-V411 HydrophobicContact CG-CG2 4.36Å; P408-V411 WeakPolarHBondContact O-CA 3.48Å; P408-V411 WeakPolarHBondContact O-CB 3.4Å; P408-V411 PolarHBondContact O-N 3.1Å; P408-K412 PolarHBondContact O-N 3.39Å | ||
| 409 | P | 95.8 | Very high | 95.3 | Very high | 100 Ų | 100 | 61.8 Ų | 61.8 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -55.8 | -32.4 | -178.4 | -28.5 | 35.7 | 0 | 0 | 0 | 114.8 | V411 K412 L413 | P409-V411 VanDerWaalsContact C-N 3.26Å; P409-V411 PolarHBondContact O-N 3.22Å; P409-K412 PolarHBondContact O-N 3.29Å; P409-L413 WeakPolarHBondContact O-CG 3.31Å; P409-L413 PolarHBondContact O-N 3.22Å |
| 410 | S | 96.4 | Very high | 95.2 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.8 | -29.5 | 174.4 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | P408 Y414 | P408-S410 PolarHBondContact O-N 2.86Å; P408-S410 VanDerWaalsContact O-N 3.12Å; S410-Y414 PolarHBondContact O-N 3Å |
| 411 | V | 96.3 | Very high | 95 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 35% | 0.345 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -80.2 | -35 | 174.8 | -168.4 | 0 | 0 | 0 | 0 | 110.4 | I407 P408 P409 Y414 L415 | I407-V411 HydrophobicContact CB-CB 4.42Å; I407-V411 HydrophobicContact CD1-CB 4.17Å; I407-V411 HydrophobicContact CD1-CG1 3.97Å; P408-V411 HydrophobicContact CB-CG2 4.3Å; P408-V411 HydrophobicContact CG-CG2 4.36Å; P408-V411 WeakPolarHBondContact O-CA 3.48Å; P408-V411 WeakPolarHBondContact O-CB 3.4Å; P408-V411 PolarHBondContact O-N 3.1Å; P409-V411 VanDerWaalsContact C-N 3.26Å; P409-V411 PolarHBondContact O-N 3.22Å; V411-Y414 PolarHBondContact O-N 3.41Å; V411-L415 WeakPolarHBondContact O-CG 3.33Å; V411-L415 PolarHBondContact O-N 3.34Å |
| 412 | K | 96.2 | Very high | 94.6 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 172.4 | -63.2 | -171.8 | 173.9 | -178 | 0 | 111.8 | I402 D403 L405 I407 P408 P409 Y414 L415 K416 | I402-K412 HydrophobicContact CG2-CB 3.81Å; I402-K412 HydrophobicContact CG2-CG 4.02Å; I402-K412 WeakPolarHBondContact O-CD 3.32Å; I402-K412 VanDerWaalsContact O-CE 3.28Å; I402-K412 WeakPolarHBondContact O-CE 3.46Å; D403-K412 PolarHBondContact O-NZ 3.28Å; L405-K412 WeakPolarHBondContact O-CE 3.4Å; L405-K412 PolarHBondContact O-NZ 3.35Å; I407-K412 HydrophobicContact CD1-CG 3.93Å; I407-K412 HydrophobicContact CG1-CD 4.45Å; I407-K412 HydrophobicContact CG1-CG 3.72Å; I407-K412 WeakPolarHBondContact O-CE 3.2Å; P408-K412 PolarHBondContact O-N 3.39Å; P409-K412 PolarHBondContact O-N 3.29Å; K412-Y414 VanDerWaalsContact C-N 3.33Å; K412-Y414 PolarHBondContact O-N 3.31Å; K412-L415 PolarHBondContact O-N 3.04Å; K412-K416 WeakPolarHBondContact O-CB 3.41Å; K412-K416 WeakPolarHBondContact O-CG 3.3Å; K412-K416 PolarHBondContact O-N 2.87Å |
| 413 | L | 95.8 | Very high | 94 | Very high | 129 Ų | 129 | 66.1 Ų | 66.1 | 68% | 0.675 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.8 | -43.6 | 172.7 | -69.7 | 172.5 | 0 | 0 | 0 | 111.8 | P409 K416 E417 | P409-L413 WeakPolarHBondContact O-CG 3.31Å; P409-L413 PolarHBondContact O-N 3.22Å; L413-K416 PolarHBondContact O-N 3.39Å; L413-E417 PolarHBondContact O-N 3.01Å |
| 414 | Y | 96.4 | Very high | 92.7 | Very high | 51 Ų | 51 | 65.6 Ų | 65.6 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 176.5 | 178.5 | -109.9 | 0 | 0 | 0 | 112.8 | Q386 H387 R390 S410 V411 K412 | Q386-Y414 HydrophobicContact CG-CD1 4.24Å; Q386-Y414 HydrophobicContact CG-CE1 3.6Å; Q386-Y414 VanDerWaalsContact NE2-CD1 3.33Å; Q386-Y414 VanDerWaalsContact NE2-CE1 3.27Å; H387-Y414 WeakPolarHBondContact CA-OH 3.43Å; R390-Y414 HydrophobicContact CB-CE1 3.87Å; R390-Y414 VanDerWaalsContact CD-CE1 3.41Å; R390-Y414 HydrophobicContact CG-CE1 4.28Å; R390-Y414 PolarHBondContact NE-O 3.37Å; R390-Y414 PolarHBondContact NH1-O 2.71Å; R390-Y414 PolarHBondContact NH2-O 3.15Å; S410-Y414 PolarHBondContact O-N 3Å; V411-Y414 PolarHBondContact O-N 3.41Å; K412-Y414 VanDerWaalsContact C-N 3.33Å; K412-Y414 PolarHBondContact O-N 3.31Å |
| 415 | L | 96 | Very high | 91 | Very high | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 174.9 | -66.1 | 177.1 | 0 | 0 | 0 | 110.9 | R390 I393 I402 L405 I407 V411 K412 E417 | R390-L415 HydrophobicContact CB-CD2 3.75Å; R390-L415 HydrophobicContact CG-CD2 3.69Å; R390-L415 PolarHBondContact NE-O 3.2Å; R390-L415 PolarHBondContact NH2-O 3.19Å; R390-L415 VanDerWaalsContact NH2-O 3.12Å; I393-L415 HydrophobicContact CB-CD2 4.25Å; I393-L415 HydrophobicContact CD1-CD2 4.39Å; I393-L415 HydrophobicContact CG2-CD1 3.76Å; I393-L415 HydrophobicContact CG2-CD2 4.09Å; I402-L415 HydrophobicContact CD1-CB 3.75Å; I402-L415 HydrophobicContact CG1-CB 4.23Å; I402-L415 HydrophobicContact CG1-CD1 4.29Å; I402-L415 HydrophobicContact CG2-CB 4.13Å; I402-L415 HydrophobicContact CG2-CD1 4.05Å; L405-L415 HydrophobicContact CD1-CD1 3.81Å; I407-L415 HydrophobicContact CD1-CD1 3.59Å; V411-L415 WeakPolarHBondContact O-CG 3.33Å; V411-L415 PolarHBondContact O-N 3.34Å; K412-L415 PolarHBondContact O-N 3.04Å; L415-E417 PolarHBondContact O-N 3.28Å; L415-E417 VanDerWaalsContact O-N 3.13Å |
| 416 | K | 95.1 | Very high | 89.2 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 10% | 0.1 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.9 | -7.9 | -175.7 | -78.5 | -177.7 | 160.8 | 179.4 | 0 | 116.3 | Y399 I402 D403 K412 L413 Y418 H419 | Y399-K416 HydrophobicContact CD1-CD 4.5Å; Y399-K416 HydrophobicContact CD2-CB 4.38Å; Y399-K416 HydrophobicContact CD2-CD 4.36Å; Y399-K416 HydrophobicContact CD2-CG 3.92Å; Y399-K416 HydrophobicContact CE1-CD 3.96Å; Y399-K416 HydrophobicContact CE2-CB 3.68Å; Y399-K416 HydrophobicContact CE2-CD 3.79Å; Y399-K416 HydrophobicContact CE2-CG 3.54Å; Y399-K416 WeakPolarHBondContact O-CE 3.17Å; I402-K416 HydrophobicContact CB-CG 4.35Å; I402-K416 HydrophobicContact CD1-CG 3.68Å; I402-K416 HydrophobicContact CG2-CD 4.42Å; I402-K416 HydrophobicContact CG2-CG 4.11Å; D403-K416 IonicContact OD1-NZ 2.61Å; D403-K416 PolarHBondContact OD1-NZ 2.99Å; D403-K416 IonicContact OD2-NZ 3.17Å; D403-K416 PolarHBondContact OD2-NZ 3.12Å; K412-K416 WeakPolarHBondContact O-CB 3.41Å; K412-K416 WeakPolarHBondContact O-CG 3.3Å; K412-K416 PolarHBondContact O-N 2.87Å; L413-K416 PolarHBondContact O-N 3.39Å; K416-Y418 PolarHBondContact O-N 2.93Å; K416-H419 PolarHBondContact O-ND1 3.13Å |
| 417 | E | 94 | Very high | 87 | Confident | 107 Ų | 107 | 70 Ų | 70 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.5 | -173.8 | 146.8 | -171.6 | -105 | 0 | 0 | 115 | R390 L413 L415 H419 | R390-E417 IonicContact CZ-OE2 3.51Å; R390-E417 IonicContact NH1-OE2 3.32Å; R390-E417 PolarHBondContact NH1-OE2 3.34Å; R390-E417 IonicContact NH2-OE2 2.67Å; L413-E417 PolarHBondContact O-N 3.01Å; L415-E417 PolarHBondContact O-N 3.28Å; L415-E417 VanDerWaalsContact O-N 3.13Å; E417-H419 PolarHBondContact O-N 3.37Å |
| 418 | Y | 94.3 | Very high | 84.8 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -97.3 | 76.7 | 174.9 | -68.1 | -61.4 | 0 | 0 | 0 | 110.1 | V271 L274 Y283 D308 L315 F316 H387 R390 K416 | V271-Y418 PolarHBondContact N-O 2.92Å; L274-Y418 HydrophobicContact CD1-CD2 3.74Å; L274-Y418 HydrophobicContact CD1-CE2 4.35Å; L274-Y418 HydrophobicContact CD1-CG 3.89Å; L274-Y418 HydrophobicContact CD2-CD2 3.92Å; L274-Y418 HydrophobicContact CD2-CG 4.32Å; L274-Y418 HydrophobicContact CG-CD2 4.47Å; Y283-Y418 PolarHBondContact OH-OH 3.43Å; D308-Y418 PolarHBondContact OD2-OH 2.86Å; L315-Y418 HydrophobicContact CD2-CD1 4.49Å; F316-Y418 HydrophobicContact CE1-CD1 4.36Å; F316-Y418 HydrophobicContact CE1-CE1 4.2Å; F316-Y418 HydrophobicContact CZ-CD1 4.11Å; F316-Y418 HydrophobicContact CZ-CE1 4.4Å; H387-Y418 AromaticContact CE1-CE2 2.96Å; H387-Y418 WeakPolarHBondContact CE1-CE2 3.43Å; H387-Y418 AromaticContact CE1-CZ 3.06Å; H387-Y418 PolarHBondContact CE1-OH 2.95Å; R390-Y418 VanDerWaalsContact NH1-CE2 3.3Å; K416-Y418 PolarHBondContact O-N 2.93Å |
| 419 | H | 93.8 | Very high | 82.8 | Confident | 41 Ų | 41 | 75.8 Ų | 75.8 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.6 | 176.7 | 75.8 | -89.6 | 0 | 0 | 0 | 111.6 | H268 C269 Y399 K416 E417 | H268-H419 AromaticContact CE1-NE2 3.65Å; H268-H419 AromaticContact CG-CD2 3.87Å; H268-H419 AromaticContact ND1-CD2 3.11Å; H268-H419 PolarHBondContact ND1-CD2 3.19Å; H268-H419 AromaticContact ND1-CE1 3.9Å; H268-H419 AromaticContact ND1-NE2 2.92Å; H268-H419 PolarHBondContact ND1-NE2 3.41Å; C269-H419 CarbonylContact O-C 3.58Å; C269-H419 WeakPolarHBondContact O-CA 3.38Å; C269-H419 VanDerWaalsContact O-CB 3.29Å; C269-H419 WeakPolarHBondContact O-CB 3.46Å; Y399-H419 HydrophobicContact CD2-CB 3.81Å; Y399-H419 HydrophobicContact CE2-CB 3.69Å; Y399-H419 AromaticContact CE2-CG 3.65Å; Y399-H419 AromaticContact CE2-ND1 3.84Å; K416-H419 PolarHBondContact O-ND1 3.13Å; E417-H419 PolarHBondContact O-N 3.37Å |
| 420 | Y | 92.3 | Very high | 80.7 | Confident | 26 Ų | 26 | 76.5 Ų | 76.5 | 10% | 0.102 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 163.6 | 170.3 | 61.5 | -97.7 | 0 | 0 | 0 | 111.1 | H268 C269 L270 V271 Q333 H336 F338 | H268-Y420 WeakPolarHBondContact CA-O 3.48Å; C269-Y420 HydrophobicContact CB-CD1 4.31Å; C269-Y420 HydrophobicContact CB-CD2 3.97Å; C269-Y420 HydrophobicContact CB-CE1 3.84Å; C269-Y420 HydrophobicContact CB-CE2 3.48Å; C269-Y420 VanDerWaalsContact CB-CE2 3.48Å; C269-Y420 HydrophobicContact CB-CG 4.38Å; C269-Y420 VanDerWaalsContact CB-CZ 3.42Å; C269-Y420 PolarHBondContact N-O 2.97Å; C269-Y420 WeakPolarHBondContact O-CD1 3.42Å; C269-Y420 PolarHBondContact O-N 3.38Å; L270-Y420 WeakPolarHBondContact O-CE1 3.49Å; V271-Y420 HydrophobicContact CG2-CD1 4.5Å; Q333-Y420 HydrophobicContact CG-CD1 4.33Å; Q333-Y420 HydrophobicContact CG-CD2 3.7Å; Q333-Y420 HydrophobicContact CG-CE2 4.17Å; Q333-Y420 HydrophobicContact CG-CG 3.75Å; H336-Y420 AromaticContact ND1-CE2 3.55Å; H336-Y420 AromaticContact ND1-CZ 3.69Å; H336-Y420 PolarHBondContact ND1-OH 2.78Å; F338-Y420 HydrophobicContact CE1-CD1 4.23Å; F338-Y420 AromaticContact CZ-CD1 3.88Å; F338-Y420 HydrophobicContact CZ-CD1 3.88Å; F338-Y420 AromaticContact CZ-CE1 3.83Å; F338-Y420 HydrophobicContact CZ-CE1 3.83Å |
| 421 | K | 89.7 | Confident | 78.4 | Confident | 92 Ų | 92 | 77.6 Ų | 77.6 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 90.3 | -174.4 | -56.4 | 169.2 | -167.5 | 156.8 | 0 | 109.9 | Y266 D313 | Y266-K421 HydrophobicContact CD1-CB 3.88Å; D313-K421 IonicContact OD1-NZ 2.62Å; D313-K421 PolarHBondContact OD1-NZ 3.38Å |
| 422 | S | 85.3 | Confident | 76 | Confident | 7 Ų | 7 | 80.1 Ų | 80.1 | 5% | 0.049 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132.7 | 177.2 | -163.2 | 0 | 0 | 0 | 0 | 110.8 | Y266 V267 H336 | Y266-S422 CarbonylContact C-O 3.58Å; Y266-S422 VanDerWaalsContact CA-O 3.32Å; Y266-S422 WeakPolarHBondContact CA-O 3.35Å; V267-S422 PolarHBondContact N-O 3.12Å; V267-S422 PolarHBondContact O-N 3.28Å; H336-S422 PolarHBondContact CE1-OG 3.24Å; H336-S422 PolarHBondContact NE2-OG 2.88Å |
| 423 | K | 81.4 | Confident | 73.5 | Confident | 126 Ų | 126 | 86.3 Ų | 86.3 | 55% | 0.548 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 114.7 | 177.8 | -69.1 | 171.2 | -176.2 | 172 | 0 | 109.2 | I264 Y266 | I264-K423 HydrophobicContact CG2-CG 4.22Å; Y266-K423 HydrophobicContact CD1-CG 3.77Å; Y266-K423 HydrophobicContact CE1-CD 4.09Å; Y266-K423 HydrophobicContact CE1-CG 3.36Å; Y266-K423 WeakPolarHBondContact OH-CE 3.24Å |
| 424 | V | 68 | Low | 71 | Confident | 74 Ų | 74 | 89.2 Ų | 89.2 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -31.3 | -166.8 | 173.8 | 0 | 0 | 0 | 0 | 114.2 | D265 V267 | D265-V424 PolarHBondContact O-N 3.36Å; V267-V424 HydrophobicContact CB-CG2 3.77Å; V267-V424 HydrophobicContact CG2-CB 4.29Å; V267-V424 HydrophobicContact CG2-CG2 3.54Å |
| 425 | R | 59.1 | Low | 68.4 | Low | 191 Ų | 191 | 95.5 Ų | 95.5 | 72% | 0.721 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 161.3 | 162.4 | -96.9 | 123.2 | -159 | -112.9 | 3.8 | 110.9 | D265 | D265-R425 PolarHBondContact N-O 3.39Å |
| 426 | V | 57.2 | Low | 65.8 | Low | 84 Ų | 84 | 104.3 Ų | 104.3 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.7 | 159.6 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | T262 Q263 I264 R428 | T262-V426 HydrophobicContact CG2-CG1 3.84Å; Q263-V426 CarbonylContact O-C 3.58Å; Q263-V426 WeakPolarHBondContact O-CA 3.38Å; I264-V426 HydrophobicContact CG1-CG1 4.45Å; I264-V426 HydrophobicContact CG1-CG2 4.24Å; V426-R428 PolarHBondContact O-N 3.46Å |
| 427 | L | 51.4 | Low | 64.3 | Low | 91 Ų | 91 | 108.4 Ų | 108.4 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 113 | 170.2 | -71.6 | 174.2 | 0 | 0 | 0 | 108.1 | T262 Q263 I429 | T262-L427 WeakPolarHBondContact CA-O 3.48Å; Q263-L427 PolarHBondContact N-O 3.48Å; Q263-L427 PolarHBondContact O-N 3.02Å; L427-I429 PolarHBondContact O-N 2.99Å |
| 428 | R | 50 | Low | 62.8 | Low | 172 Ų | 172 | 108.5 Ų | 108.5 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 114.1 | 159.9 | -77.3 | -177.1 | 170.2 | -178.6 | -4.7 | 107.2 | T262 V426 D430 | T262-R428 HydrophobicContact CG2-CG 4.34Å; V426-R428 PolarHBondContact O-N 3.46Å; R428-D430 PolarHBondContact O-N 3.4Å |
| 429 | I | 54.1 | Low | 61 | Low | 81 Ų | 81 | 113.9 Ų | 113.9 | 42% | 0.415 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 100.4 | 166.9 | -54.3 | -177.2 | 0 | 0 | 0 | 106.5 | H261 L427 | H261-I429 HydrophobicContact CB-CB 4.42Å; H261-I429 PolarHBondContact O-N 3.41Å; L427-I429 PolarHBondContact O-N 2.99Å |
| 430 | D | 52.1 | Low | 59.1 | Low | 114 Ų | 114 | 118.2 Ų | 118.2 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.6 | 165.9 | -62.7 | -43.1 | 0 | 0 | 0 | 108.1 | R428 | R428-D430 PolarHBondContact O-N 3.4Š|
| 431 | V | 47.8 | Very low | 57 | Low | 111 Ų | 111 | 124 Ų | 124 | 67% | 0.673 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 128.2 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | E433 | V431-E433 PolarHBondContact O-N 3.18Š|
| 432 | P | 46.4 | Very low | 54.9 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.1 | 176.3 | 26.3 | -33.8 | 0 | 0 | 0 | 109.7 | Q434 | P432-Q434 PolarHBondContact O-N 2.99Š|
| 433 | E | 43.9 | Very low | 52.7 | Low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 120.2 | 176.5 | -64.9 | 179.9 | 146.3 | 0 | 0 | 110.1 | V431 Q435 | V431-E433 PolarHBondContact O-N 3.18Å; E433-Q435 VanDerWaalsContact C-N 3.31Å; E433-Q435 PolarHBondContact O-N 3.3Å |
| 434 | Q | 43.2 | Very low | 50.5 | Low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 70% | 0.697 | S | S | * | * | trans | -74.8 | 90.8 | 167.3 | -69.5 | -168.3 | -57 | 0 | 0 | 108.2 | P432 S436 | P432-Q434 PolarHBondContact O-N 2.99Å; Q434-S436 PolarHBondContact O-N 3.25Å | ||
| 435 | Q | 42.3 | Very low | 49 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | trans | -60 | 120.4 | 170.5 | -67.3 | -179.5 | -9.5 | 0 | 0 | 109.2 | E433 | E433-Q435 VanDerWaalsContact C-N 3.31Å; E433-Q435 PolarHBondContact O-N 3.3Å | ||
| 436 | S | 40.6 | Very low | 48.1 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 100% | 1.308 | 72% | 0.718 | S | S | * | * | trans | -107.1 | 0 | -177.3 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | Q434 | Q434-S436 PolarHBondContact O-N 3.25Š|
Retrieved 436 of 436 residues in 304.6 ms
(Link to these results)