| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.5 | Very low | 31.4 | Very low | 233 Ų | 233 | 165.2 Ų | 165.2 | 100% | 1.148 | 83% | 0.834 | S | S | * | * | 0 | 62.6 | 0 | -65.9 | 176.7 | 172.7 | 0 | 0 | 107.4 | |||||
| 2 | T | 32.1 | Very low | 31 | Very low | 142 Ų | 142 | 156.9 Ų | 156.9 | 87% | 0.871 | 82% | 0.821 | S | S | * | * | 83.5 | 87.7 | 91.7 | 44.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 3 | N | 28.5 | Very low | 30.7 | Very low | 155 Ų | 155 | 156.4 Ų | 156.4 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | -46.6 | 150 | 158 | -63.7 | -34.2 | 0 | 0 | 0 | 112.4 | ||||
| 4 | Q | 33.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | -164.6 | 120.9 | 128.8 | -110 | 172 | 12.8 | 0 | 0 | 112.7 | |||||
| 5 | V | 30 | Very low | 30.5 | Very low | 129 Ų | 129 | 155.1 Ų | 155.1 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -69.4 | 139.2 | 161.3 | 169.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 6 | R | 33.1 | Very low | 30.4 | Very low | 232 Ų | 232 | 158.2 Ų | 158.2 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -144.5 | 123.9 | 156.2 | -91.1 | -172 | 173.8 | 168 | -2 | 110.5 | ||||
| 7 | T | 31 | Very low | 30.2 | Very low | 108 Ų | 108 | 154.7 Ų | 154.7 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | trans | -92.3 | 169.6 | 166.7 | 47.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 8 | D | 28 | Very low | 29.9 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | 91.1 | 116.5 | 152.8 | -56 | -37.1 | 0 | 0 | 0 | 120.3 | ||||
| 9 | E | 28.3 | Very low | 29.6 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 50.2 | 112 | 132.6 | -62 | -174.6 | 150.3 | 0 | 0 | 118.5 | ||||
| 10 | Q | 29.9 | Very low | 29.4 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | 162.7 | 149.6 | 114.9 | -87.4 | 176.2 | 13.9 | 0 | 0 | 110.3 | |||||
| 11 | L | 31.9 | Very low | 29.2 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | 79.2 | 115.4 | 166.8 | -55.5 | 130.5 | 0 | 0 | 0 | 114.6 | ||||
| 12 | G | 27 | Very low | 28.4 | Very low | 66 Ų | 66 | 149.2 Ų | 149.2 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | cis | 119.5 | 105.6 | 26.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 13 | N | 26.8 | Very low | 28.1 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 54.9 | 119.8 | 152.2 | -62.6 | -15.6 | 0 | 0 | 0 | 120.4 | ||||
| 14 | N | 31.3 | Very low | 27.9 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | 154.4 | 148.4 | 122.7 | -79.5 | -21.2 | 0 | 0 | 0 | 109.8 | |||||
| 15 | F | 26.8 | Very low | 27.5 | Very low | 148 Ų | 148 | 146 Ų | 146 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | 179.6 | 154.4 | -27.8 | -136.9 | -76.8 | 0 | 0 | 0 | 104.4 | ||||
| 16 | Y | 29.2 | Very low | 27.2 | Very low | 204 Ų | 204 | 148.8 Ų | 148.8 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | 75.5 | 140.8 | 165.8 | -62.5 | -73.5 | 0 | 0 | 0 | 119.1 | ||||
| 17 | S | 26.3 | Very low | 26.9 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | -172.2 | 143.3 | -6.9 | 61.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 18 | C | 24.8 | Very low | 26.7 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | trans | -167.1 | 110.4 | 136.3 | -121.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 19 | A | 25.3 | Very low | 26.6 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 53.8 | 89.6 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 20 | F | 25.1 | Very low | 26.5 | Very low | 212 Ų | 212 | 145.7 Ų | 145.7 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 116.8 | 144 | -103.2 | -91.9 | 0 | 0 | 0 | 108.1 | ||
| 21 | Q | 25.1 | Very low | 26.4 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 117.9 | 167.6 | -119.3 | 175 | -1.1 | 0 | 0 | 108.5 | ||
| 22 | T | 24 | Very low | 26.2 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 130 | 167.9 | 40.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 23 | F | 25.3 | Very low | 26.4 | Very low | 204 Ų | 204 | 150.3 Ų | 150.3 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -122.6 | 121.5 | 146.7 | -87.4 | -80.4 | 0 | 0 | 0 | 108.7 | ||||
| 24 | S | 23.9 | Very low | 26.5 | Very low | 91 Ų | 91 | 151.9 Ų | 151.9 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -89.1 | 143.7 | -177.5 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 25 | T | 24.5 | Very low | 26.3 | Very low | 113 Ų | 113 | 156 Ų | 156 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | trans | 59.1 | 129.9 | 141.8 | 51.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 26 | E | 24.1 | Very low | 26.4 | Very low | 186 Ų | 186 | 157 Ų | 157 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | 96.3 | 115.1 | 157.6 | -64.9 | 172.4 | -178.7 | 0 | 0 | 117.5 | ||||
| 27 | E | 26.3 | Very low | 26.2 | Very low | 185 Ų | 185 | 158 Ų | 158 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | 68.6 | 128.4 | 166.5 | -60.2 | -169.9 | 154.1 | 0 | 0 | 119.8 | ||||
| 28 | P | 26.9 | Very low | 26.1 | Very low | 129 Ų | 129 | 157.6 Ų | 157.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | -125.7 | 104.7 | 129.8 | 32 | -19.6 | 0 | 0 | 0 | 110.1 | |||||
| 29 | A | 26.9 | Very low | 26.2 | Very low | 87 Ų | 87 | 160.3 Ų | 160.3 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | 48.5 | 96.4 | 119.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 30 | L | 25.2 | Very low | 26.3 | Very low | 174 Ų | 174 | 162.6 Ų | 162.6 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | S | Bend | -35.9 | 141.2 | 129.7 | -76.3 | 127.9 | 0 | 0 | 0 | 109.9 | |||
| 31 | D | 27.6 | Very low | 26.4 | Very low | 122 Ų | 122 | 158.1 Ų | 158.1 | 65% | 0.652 | 80% | 0.798 | S | S | * | * | trans | 110.6 | 37.8 | 159.7 | -142.1 | 21.2 | 0 | 0 | 0 | 119.6 | ||||
| 32 | E | 28.4 | Very low | 26.5 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -87.2 | 2.2 | 162.9 | -90.2 | -169.9 | 161.6 | 0 | 0 | 114.6 | Y34 | E32-Y34 VanDerWaalsContact C-N 3.34Å; E32-Y34 PolarHBondContact O-N 2.95Å | ||
| 33 | H | 31.1 | Very low | 26.5 | Very low | 188 Ų | 188 | 158.8 Ų | 158.8 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -82.9 | -0.7 | 177.6 | -104 | -67.9 | 0 | 0 | 0 | 114.8 | ||
| 34 | Y | 28.1 | Very low | 26.6 | Very low | 184 Ų | 184 | 157.2 Ų | 157.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -123.5 | 6.1 | -173.1 | -97.1 | -81.3 | 0 | 0 | 0 | 117.8 | E32 | E32-Y34 VanDerWaalsContact C-N 3.34Å; E32-Y34 PolarHBondContact O-N 2.95Å |
| 35 | R | 27.5 | Very low | 26.7 | Very low | 232 Ų | 232 | 155.4 Ų | 155.4 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -93.3 | 7.8 | -176.1 | -103.8 | -179.3 | 178.3 | 175.6 | 1.5 | 117.8 | R37 | R35-R37 PolarHBondContact O-N 2.87Š| ||
| 36 | I | 28.3 | Very low | 26.9 | Very low | 170 Ų | 170 | 158.7 Ų | 158.7 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -86.2 | 53.5 | 169.2 | -45.3 | 177.6 | 0 | 0 | 0 | 110.2 | ||||
| 37 | R | 25.5 | Very low | 27.2 | Very low | 223 Ų | 223 | 153 Ų | 153 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -147.3 | 77.1 | 168.4 | -82.6 | -165.4 | 179.8 | -179.2 | 1.9 | 109.2 | R35 | R35-R37 PolarHBondContact O-N 2.87Š|
| 38 | S | 25 | Very low | 27.4 | Very low | 92 Ų | 92 | 153.9 Ų | 153.9 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | 159.9 | 95.9 | 153.3 | 43.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 39 | H | 26.8 | Very low | 27.7 | Very low | 183 Ų | 183 | 154.5 Ų | 154.5 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | -179.2 | 72.3 | 147.3 | -72.3 | -36.4 | 0 | 0 | 0 | 104.7 | P41 | H39-P41 WeakPolarHBondContact O-CD 3.35Š| ||
| 40 | L | 25.9 | Very low | 27.9 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -55.5 | 116.5 | 158.5 | -94.4 | 128.4 | 0 | 0 | 0 | 107.3 | Q42 | L40-Q42 PolarHBondContact O-N 3.47Š| ||
| 41 | P | 26.9 | Very low | 28.2 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | trans | -68 | 111.3 | 142.1 | 2.5 | 17 | 0 | 0 | 0 | 103.7 | H39 L43 | H39-P41 WeakPolarHBondContact O-CD 3.35Å; P41-L43 PolarHBondContact O-N 3.21Å | ||
| 42 | Q | 27 | Very low | 28.4 | Very low | 155 Ų | 155 | 156.2 Ų | 156.2 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | -38.5 | 116.7 | 171.4 | -71.5 | 174.8 | -8.6 | 0 | 0 | 108.6 | L40 F44 | L40-Q42 PolarHBondContact O-N 3.47Å; Q42-F44 VanDerWaalsContact C-N 3.27Å; Q42-F44 PolarHBondContact O-N 3.07Å | ||
| 43 | L | 25.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -52.6 | 97.1 | 169.8 | -78.1 | 157.1 | 0 | 0 | 0 | 107 | P41 S45 | P41-L43 PolarHBondContact O-N 3.21Å; L43-S45 PolarHBondContact O-N 3.1Å | ||
| 44 | F | 25.9 | Very low | 28.8 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 75% | 0.75 | 70% | 0.703 | S | S | * | * | trans | -65.6 | 93.5 | 161.7 | -88.7 | -84.1 | 0 | 0 | 0 | 105.9 | Q42 Y46 | Q42-F44 VanDerWaalsContact C-N 3.27Å; Q42-F44 PolarHBondContact O-N 3.07Å; F44-Y46 PolarHBondContact O-N 3.46Å | ||
| 45 | S | 27.8 | Very low | 29.1 | Very low | 53 Ų | 53 | 144.8 Ų | 144.8 | 37% | 0.371 | 70% | 0.695 | S | S | . | * | trans | -55.2 | 116.1 | 169.1 | 69.3 | 0 | 0 | 0 | 0 | 107.1 | L43 S47 R48 | L43-S45 PolarHBondContact O-N 3.1Å; S45-S47 WeakPolarHBondContact CB-OG 3.49Å; S45-S47 PolarHBondContact O-N 2.99Å; S45-S47 PolarHBondContact OG-OG 3.43Å; S45-R48 PolarHBondContact O-N 3.46Å | ||
| 46 | Y | 28.4 | Very low | 29.3 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -51.9 | -19.4 | 173.7 | -134.2 | -99.2 | 0 | 0 | 0 | 112 | F44 R48 Q50 | F44-Y46 PolarHBondContact O-N 3.46Å; Y46-R48 PolarHBondContact O-N 3.46Å; Y46-Q50 PolarHBondContact O-N 3.32Å |
| 47 | S | 29.8 | Very low | 29.3 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -70.9 | -17.5 | 172.6 | 52.7 | 0 | 0 | 0 | 0 | 116.1 | S45 | S45-S47 WeakPolarHBondContact CB-OG 3.49Å; S45-S47 PolarHBondContact O-N 2.99Å; S45-S47 PolarHBondContact OG-OG 3.43Å |
| 48 | R | 31.6 | Very low | 29.4 | Very low | 202 Ų | 202 | 139.5 Ų | 139.5 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -88.8 | -28.8 | 173.8 | -87.1 | -172.6 | 176.1 | 180 | 0.1 | 112.8 | S45 Y46 H52 | S45-R48 PolarHBondContact O-N 3.46Å; Y46-R48 PolarHBondContact O-N 3.46Å; R48-H52 PolarHBondContact O-N 2.88Å |
| 49 | F | 31.4 | Very low | 29.3 | Very low | 143 Ų | 143 | 147 Ų | 147 | 63% | 0.627 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -76.6 | -35.6 | 177.5 | -137.8 | -95.9 | 0 | 0 | 0 | 111.8 | H52 L53 | F49-H52 PolarHBondContact O-N 3.3Å; F49-L53 HydrophobicContact CD1-CD1 3.8Å; F49-L53 HydrophobicContact CE1-CD1 4Å; F49-L53 PolarHBondContact O-N 3.42Å; F49-L53 VanDerWaalsContact O-N 3.16Å |
| 50 | Q | 31.8 | Very low | 29.3 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 52% | 0.523 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -71.6 | -34.4 | 177.1 | -161.1 | 159.8 | -2.4 | 0 | 0 | 112.8 | Y46 H52 E54 | Y46-Q50 PolarHBondContact O-N 3.32Å; Q50-H52 VanDerWaalsContact C-N 3.32Å; Q50-H52 PolarHBondContact O-N 3.29Å; Q50-E54 WeakPolarHBondContact O-CB 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.33Å; Q50-E54 PolarHBondContact O-N 3.47Å; Q50-E54 VanDerWaalsContact O-N 3.13Å |
| 51 | K | 31.3 | Very low | 29 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.3 | -19.6 | 171.5 | -88 | -173.2 | 173.7 | -175.9 | 0 | 114.3 | A55 | K51-A55 WeakPolarHBondContact O-CB 3.4Å; K51-A55 PolarHBondContact O-N 3.35Å |
| 52 | H | 32.6 | Very low | 28.9 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -88.3 | -26 | 175.7 | -115.8 | -20.7 | 0 | 0 | 0 | 113.5 | R48 F49 Q50 | R48-H52 PolarHBondContact O-N 2.88Å; F49-H52 PolarHBondContact O-N 3.3Å; Q50-H52 VanDerWaalsContact C-N 3.32Å; Q50-H52 PolarHBondContact O-N 3.29Å |
| 53 | L | 33.7 | Very low | 28.7 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -80.2 | -29 | 171.9 | -90.6 | 148 | 0 | 0 | 0 | 112.9 | F49 | F49-L53 HydrophobicContact CD1-CD1 3.8Å; F49-L53 HydrophobicContact CE1-CD1 4Å; F49-L53 PolarHBondContact O-N 3.42Å; F49-L53 VanDerWaalsContact O-N 3.16Å |
| 54 | E | 34.6 | Very low | 28.5 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 61% | 0.612 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -84 | -14 | 176.4 | -70.5 | 170.6 | -175.3 | 0 | 0 | 113.4 | Q50 | Q50-E54 WeakPolarHBondContact O-CB 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.33Å; Q50-E54 PolarHBondContact O-N 3.47Å; Q50-E54 VanDerWaalsContact O-N 3.13Å |
| 55 | A | 33.4 | Very low | 28.4 | Very low | 66 Ų | 66 | 144.1 Ų | 144.1 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -95.2 | -9.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K51 | K51-A55 WeakPolarHBondContact O-CB 3.4Å; K51-A55 PolarHBondContact O-N 3.35Å |
| 56 | N | 31.4 | Very low | 28.2 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | trans | -112.4 | 54.4 | -179 | -81.9 | -23.4 | 0 | 0 | 0 | 112.6 | R58 | N56-R58 PolarHBondContact O-N 3.41Š| ||
| 57 | N | 29.5 | Very low | 28 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -74.9 | 41.3 | 166.8 | -107.8 | -21.1 | 0 | 0 | 0 | 112.7 | ||||
| 58 | R | 27.5 | Very low | 27.8 | Very low | 229 Ų | 229 | 150.3 Ų | 150.3 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -138.3 | 106.2 | 177.5 | -74.9 | -172.3 | 176.7 | -179.9 | -0.7 | 111.5 | N56 V60 | N56-R58 PolarHBondContact O-N 3.41Å; R58-V60 PolarHBondContact O-N 3.5Å |
| 59 | R | 23 | Very low | 27.4 | Very low | 251 Ų | 251 | 148.9 Ų | 148.9 | 95% | 0.947 | 76% | 0.764 | S | S | * | * | trans | 0.7 | 110.1 | 155.8 | -71 | 177 | 175 | -179.9 | -2 | 115.8 | ||||
| 60 | V | 25.4 | Very low | 27.3 | Very low | 137 Ų | 137 | 151.7 Ų | 151.7 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -140 | 108.8 | 143.4 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | R58 | R58-V60 PolarHBondContact O-N 3.5Š| ||
| 61 | G | 20.6 | Very low | 27.1 | Very low | 74 Ų | 74 | 150.4 Ų | 150.4 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -82.8 | 142.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 62 | I | 24.4 | Very low | 26.8 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -128.9 | 125.1 | 159.1 | -62.9 | -177.6 | 0 | 0 | 0 | 108 | ||||
| 63 | R | 23 | Very low | 26.6 | Very low | 241 Ų | 241 | 151.5 Ų | 151.5 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -58.2 | 138.6 | -175.3 | -76.9 | 170.8 | 165.2 | 168.3 | -5.7 | 112.8 | ||||
| 64 | T | 21.5 | Very low | 26.3 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -87.2 | 133.7 | 155.8 | 47.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 65 | S | 24.3 | Very low | 26.1 | Very low | 115 Ų | 115 | 152 Ų | 152 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -114.8 | 106.3 | 167 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 66 | K | 22.9 | Very low | 25.8 | Very low | 205 Ų | 205 | 154.4 Ų | 154.4 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -85.1 | 121.1 | 158.6 | -82.2 | 178 | 172.3 | 177 | 0 | 108.3 | ||||
| 67 | S | 24.9 | Very low | 25.8 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | 155.9 | 132 | 160.7 | 52 | 0 | 0 | 0 | 0 | 107 | ||||
| 68 | C | 25.3 | Very low | 25.8 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | cis | -157.2 | 135.2 | 22.5 | -95 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 69 | L | 23.6 | Very low | 26 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 122.5 | 147.9 | -84.5 | 155.5 | 0 | 0 | 0 | 107.7 | ||||
| 70 | K | 28.6 | Very low | 26.2 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | 173.9 | 120.8 | 134.9 | -99 | 170.8 | -179.6 | -179.2 | 0 | 112.3 | ||||
| 71 | A | 26.6 | Very low | 26.5 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | 57.1 | 114.5 | 133.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 72 | S | 25.7 | Very low | 26.8 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | 77.6 | 125 | 125.1 | 67.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 73 | R | 27.9 | Very low | 27 | Very low | 224 Ų | 224 | 149.9 Ų | 149.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 80.6 | 103.6 | 137.8 | -81.6 | -178.9 | 179.5 | 168.1 | -0.1 | 118.9 | ||||
| 74 | N | 27.6 | Very low | 27.1 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | 81.7 | 131.5 | 114.4 | -83.1 | 6.8 | 0 | 0 | 0 | 121.2 | |||||
| 75 | L | 30.1 | Very low | 27.5 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 71% | 0.707 | 80% | 0.795 | S | S | * | * | trans | 87.3 | 105.8 | 143.2 | -92.2 | 111.8 | 0 | 0 | 0 | 118.6 | ||||
| 76 | N | 28.5 | Very low | 27.5 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | 86.5 | 133.8 | 124.9 | -78.5 | 20.3 | 0 | 0 | 0 | 121.2 | |||||
| 77 | E | 31.3 | Very low | 28 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 72 | 128.7 | 151.2 | -66.7 | 157.6 | -148.1 | 0 | 0 | 115.7 | ||||
| 78 | G | 28.4 | Very low | 28 | Very low | 63 Ų | 63 | 142.8 Ų | 142.8 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | cis | 170.7 | 168.3 | 6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 79 | T | 32.5 | Very low | 28.3 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | 70.9 | 103.5 | 158.3 | 56 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 80 | D | 27.2 | Very low | 28.4 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | 41.5 | 119.8 | 118.2 | -61.7 | -27.8 | 0 | 0 | 0 | 121 | |||||
| 81 | S | 31.9 | Very low | 28.4 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | -178.5 | 128.4 | 108.7 | 43.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 82 | L | 25.7 | Very low | 28.5 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -59.2 | 136.7 | 163.5 | -84.8 | 110.6 | 0 | 0 | 0 | 111.6 | ||||
| 83 | R | 28.9 | Very low | 28.5 | Very low | 227 Ų | 227 | 146.1 Ų | 146.1 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -143.3 | 111.4 | 144.5 | -91 | -169.2 | -176.9 | -172.7 | 0.5 | 111.2 | ||||
| 84 | T | 25.7 | Very low | 28.6 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -59.4 | 137.9 | 158.6 | 20.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 85 | F | 29.7 | Very low | 28.4 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -128.1 | 104.9 | 161.1 | -102.6 | -85.8 | 0 | 0 | 0 | 108.2 | ||||
| 86 | S | 25.6 | Very low | 28.3 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -107.7 | 122.8 | 160.8 | 50.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 87 | D | 31.7 | Very low | 28.1 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -167.1 | 117.7 | 152.5 | -95.4 | -25.4 | 0 | 0 | 0 | 112.5 | ||||
| 88 | G | 26.3 | Very low | 27.9 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | 67.1 | 101 | 126.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 89 | I | 30.6 | Very low | 27.8 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | trans | -135.3 | 115.5 | 143.9 | -60.2 | -176.6 | 0 | 0 | 0 | 110 | ||||
| 90 | R | 25.1 | Very low | 27.4 | Very low | 241 Ų | 241 | 152.3 Ų | 152.3 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -57 | 134 | 168.1 | -87.5 | 175.6 | 169.9 | -168.7 | -3 | 111.4 | ||
| 91 | A | 29.7 | Very low | 27.4 | Very low | 100 Ų | 100 | 149.5 Ų | 149.5 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -101 | 124.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 92 | V | 29.5 | Very low | 27.1 | Very low | 126 Ų | 126 | 152.4 Ų | 152.4 | 76% | 0.764 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 129.2 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 109 | ||
| 93 | S | 24.9 | Very low | 27.1 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 121.7 | 175.8 | -47.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 94 | L | 30 | Very low | 27.2 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -110.6 | 109.8 | 164.9 | -79.7 | 167.2 | 0 | 0 | 0 | 108.1 | ||||
| 95 | G | 22.6 | Very low | 27.3 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -71 | 135.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 96 | I | 29.2 | Very low | 27.4 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -140.6 | 115.9 | 165.3 | -58 | -179.8 | 0 | 0 | 0 | 106.2 | ||||
| 97 | E | 23.8 | Very low | 27.6 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 144.3 | 175.3 | -70.4 | -176.4 | 151.7 | 0 | 0 | 111.8 | ||
| 98 | P | 28.1 | Very low | 27.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 125.2 | 168.5 | 31.2 | -28.1 | 0 | 0 | 0 | 110.7 | ||
| 99 | Y | 25.1 | Very low | 28 | Very low | 225 Ų | 225 | 135 Ų | 135 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 119.1 | 174 | -152.9 | -96.3 | 0 | 0 | 0 | 110 | ||
| 100 | E | 23.9 | Very low | 27.8 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 121.8 | 166.3 | -72.8 | -175 | 157.4 | 0 | 0 | 109.1 | ||
| 101 | A | 27.9 | Very low | 28 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | trans | -107.6 | 112.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 102 | E | 25.8 | Very low | 27.9 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | trans | -54.4 | 132.8 | 179.3 | -65.1 | 174.2 | 151.8 | 0 | 0 | 112.4 | T104 | E102-T104 PolarHBondContact O-N 3.17Å; E102-T104 VanDerWaalsContact O-N 3.16Å | ||
| 103 | A | 26 | Very low | 28 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | trans | -69.6 | 107.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | N105 | A103-N105 PolarHBondContact O-N 3.07Š| ||
| 104 | T | 30.5 | Very low | 28.1 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | -75.5 | 120.8 | 173.5 | 27.7 | 0 | 0 | 0 | 0 | 110.1 | E102 F106 | E102-T104 PolarHBondContact O-N 3.17Å; E102-T104 VanDerWaalsContact O-N 3.16Å; T104-F106 WeakPolarHBondContact O-CD2 3.46Å; T104-F106 PolarHBondContact O-N 3.38Å | ||
| 105 | N | 28.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 121.5 Ų | 121.5 | 90% | 0.904 | 69% | 0.692 | S | S | * | * | trans | -63 | 115.6 | 174.4 | -80.7 | -31.6 | 0 | 0 | 0 | 110.8 | A103 | A103-N105 PolarHBondContact O-N 3.07Š| ||
| 106 | F | 31 | Very low | 28.3 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 43% | 0.434 | 68% | 0.679 | S | S | . | * | trans | -92.8 | 121.8 | 170 | -70.9 | -82.5 | 0 | 0 | 0 | 110.1 | T104 S108 F112 K115 | T104-F106 WeakPolarHBondContact O-CD2 3.46Å; T104-F106 PolarHBondContact O-N 3.38Å; F106-S108 PolarHBondContact O-N 2.98Å; F106-F112 HydrophobicContact CD2-CD2 4.25Å; F106-F112 HydrophobicContact CG-CD2 4.5Å; F106-K115 HydrophobicContact CE1-CD 4.21Å | ||
| 107 | G | 29.6 | Very low | 28.2 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -81.6 | -3.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 108 | S | 32.5 | Very low | 28.3 | Very low | 52 Ų | 52 | 121.4 Ų | 121.4 | 36% | 0.364 | 67% | 0.673 | S | S | . | * | trans | -163.6 | 153.9 | 173.3 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | F106 S110 E111 | F106-S108 PolarHBondContact O-N 2.98Å; S108-S110 VanDerWaalsContact C-N 3.31Å; S108-S110 PolarHBondContact O-N 3.4Å; S108-S110 PolarHBondContact OG-OG 3.24Å; S108-E111 PolarHBondContact O-N 3.14Å | ||
| 109 | S | 33 | Very low | 28.2 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -67.9 | -23.7 | -177.1 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | I113 | S109-I113 WeakPolarHBondContact O-CD1 3.18Å; S109-I113 WeakPolarHBondContact O-CG1 3.44Å; S109-I113 PolarHBondContact O-N 3.35Å |
| 110 | S | 28.4 | Very low | 28.3 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.5 | -33.9 | 175 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | S108 S114 | S108-S110 VanDerWaalsContact C-N 3.31Å; S108-S110 PolarHBondContact O-N 3.4Å; S108-S110 PolarHBondContact OG-OG 3.24Å; S110-S114 PolarHBondContact O-N 3.27Å; S110-S114 PolarHBondContact O-OG 2.74Å |
| 111 | E | 29.1 | Very low | 28.4 | Very low | 91 Ų | 91 | 111.5 Ų | 111.5 | 43% | 0.425 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -67.9 | -37 | 175.1 | -80.6 | -172.1 | 134.3 | 0 | 0 | 112.3 | S108 S114 | S108-E111 PolarHBondContact O-N 3.14Å; E111-S114 PolarHBondContact O-OG 3.24Å |
| 112 | F | 27.7 | Very low | 28.3 | Very low | 114 Ų | 114 | 117 Ų | 117 | 50% | 0.5 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -66.6 | -44.9 | 177.9 | -174.6 | -101.8 | 0 | 0 | 0 | 112 | F106 S114 K115 I116 | F106-F112 HydrophobicContact CD2-CD2 4.25Å; F106-F112 HydrophobicContact CG-CD2 4.5Å; F112-S114 VanDerWaalsContact C-N 3.34Å; F112-S114 PolarHBondContact O-N 3.46Å; F112-K115 PolarHBondContact O-N 3.35Å; F112-I116 HydrophobicContact CD1-CD1 4.33Å; F112-I116 HydrophobicContact CE1-CD1 3.99Å; F112-I116 WeakPolarHBondContact O-CG1 3.19Å |
| 113 | I | 30.6 | Very low | 28.4 | Very low | 124 Ų | 124 | 118 Ų | 118 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.1 | -33.7 | -178.3 | -65 | 168.7 | 0 | 0 | 0 | 111.6 | S109 K115 | S109-I113 WeakPolarHBondContact O-CD1 3.18Å; S109-I113 WeakPolarHBondContact O-CG1 3.44Å; S109-I113 PolarHBondContact O-N 3.35Å; I113-K115 VanDerWaalsContact C-N 3.29Å; I113-K115 PolarHBondContact O-N 3Å |
| 114 | S | 27.5 | Very low | 28.4 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73 | -14.3 | 179.3 | 67.9 | 0 | 0 | 0 | 0 | 115.2 | S110 E111 F112 | S110-S114 PolarHBondContact O-N 3.27Å; S110-S114 PolarHBondContact O-OG 2.74Å; E111-S114 PolarHBondContact O-OG 3.24Å; F112-S114 VanDerWaalsContact C-N 3.34Å; F112-S114 PolarHBondContact O-N 3.46Å |
| 115 | K | 29.2 | Very low | 28.2 | Very low | 137 Ų | 137 | 120.2 Ų | 120.2 | 60% | 0.596 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 5.5 | -174.9 | -76.8 | -177.6 | 178.1 | 173.8 | 0 | 114.8 | F106 F112 I113 E117 | F106-K115 HydrophobicContact CE1-CD 4.21Å; F112-K115 PolarHBondContact O-N 3.35Å; I113-K115 VanDerWaalsContact C-N 3.29Å; I113-K115 PolarHBondContact O-N 3Å; K115-E117 PolarHBondContact O-N 2.75Å |
| 116 | I | 27.2 | Very low | 28.1 | Very low | 107 Ų | 107 | 116.8 Ų | 116.8 | 55% | 0.549 | 65% | 0.654 | S | S | . | * | trans | -74.8 | 74.8 | 169.1 | -55.2 | 175.7 | 0 | 0 | 0 | 108 | F112 L118 | F112-I116 HydrophobicContact CD1-CD1 4.33Å; F112-I116 HydrophobicContact CE1-CD1 3.99Å; F112-I116 WeakPolarHBondContact O-CG1 3.19Å; I116-L118 PolarHBondContact O-N 3.37Å; I116-L118 VanDerWaalsContact O-N 3.16Å | ||
| 117 | E | 25.9 | Very low | 28.1 | Very low | 181 Ų | 181 | 121 Ų | 121 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | trans | -70.4 | 104.5 | 163.3 | -74 | -167.5 | 161.1 | 0 | 0 | 107.7 | K115 | K115-E117 PolarHBondContact O-N 2.75Š| ||
| 118 | L | 27.7 | Very low | 28.1 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | trans | -52.9 | 140.3 | 162.9 | -71.5 | 163.5 | 0 | 0 | 0 | 108.3 | I116 V120 | I116-L118 PolarHBondContact O-N 3.37Å; I116-L118 VanDerWaalsContact O-N 3.16Å; L118-V120 HydrophobicContact CB-CG2 4.4Å; L118-V120 PolarHBondContact O-N 3.26Å | ||
| 119 | P | 26.2 | Very low | 27.7 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | trans | -68.3 | 78.7 | 168.5 | 28.2 | -31.5 | 0 | 0 | 0 | 108.9 | A121 | P119-A121 PolarHBondContact O-N 3.36Å; P119-A121 VanDerWaalsContact O-N 3.14Å | ||
| 120 | V | 26.3 | Very low | 27.3 | Very low | 114 Ų | 114 | 134 Ų | 134 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -69.8 | 105.7 | 162.8 | -178.2 | 0 | 0 | 0 | 0 | 104.8 | L118 K122 | L118-V120 HydrophobicContact CB-CG2 4.4Å; L118-V120 PolarHBondContact O-N 3.26Å; V120-K122 VanDerWaalsContact C-N 3.29Å; V120-K122 PolarHBondContact O-N 2.93Å | ||
| 121 | A | 26.3 | Very low | 27.3 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | trans | -57.7 | 96.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | P119 R123 | P119-A121 PolarHBondContact O-N 3.36Å; P119-A121 VanDerWaalsContact O-N 3.14Å; A121-R123 VanDerWaalsContact C-N 3.26Å; A121-R123 PolarHBondContact O-N 2.92Å | ||
| 122 | K | 25.7 | Very low | 27.1 | Very low | 207 Ų | 207 | 137.1 Ų | 137.1 | 90% | 0.9 | 74% | 0.74 | S | S | * | * | trans | -62.5 | 87.6 | 168.1 | -72.1 | -179.8 | -179.8 | 173.3 | 0 | 108 | V120 | V120-K122 VanDerWaalsContact C-N 3.29Å; V120-K122 PolarHBondContact O-N 2.93Å | ||
| 123 | R | 27.5 | Very low | 26.9 | Very low | 203 Ų | 203 | 136.9 Ų | 136.9 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | -114.3 | 136.5 | 162.1 | -77.5 | -168.4 | 177 | -174.5 | 1.2 | 109 | A121 V125 | A121-R123 VanDerWaalsContact C-N 3.26Å; A121-R123 PolarHBondContact O-N 2.92Å; R123-V125 PolarHBondContact O-N 2.89Å | ||
| 124 | P | 26.9 | Very low | 26.7 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -64.8 | 121.3 | -171.1 | 24.4 | -32 | 0 | 0 | 0 | 111.4 | S126 | P124-S126 PolarHBondContact O-N 3.17Š| ||
| 125 | V | 25.9 | Very low | 26.5 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -74.5 | 66.5 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 110 | R123 | R123-V125 PolarHBondContact O-N 2.89Š| ||
| 126 | S | 26.8 | Very low | 26.5 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -128.9 | 6.9 | 179.6 | 57.5 | 0 | 0 | 0 | 0 | 115.3 | P124 | P124-S126 PolarHBondContact O-N 3.17Š|
| 127 | K | 30.6 | Very low | 26.6 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 81% | 0.809 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -132.2 | 13.2 | 179.3 | -79.5 | -170.9 | 174.7 | -178.3 | 0 | 115.9 | ||
| 128 | W | 29 | Very low | 26.7 | Very low | 229 Ų | 229 | 138.4 Ų | 138.4 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -124.7 | 65.1 | -178 | -70.3 | 64.9 | 0 | 0 | 0 | 109.9 | ||||
| 129 | S | 23.6 | Very low | 26.9 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -107.3 | 31.8 | -178.4 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 130 | S | 26.1 | Very low | 26.9 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -147.2 | 19.7 | 176.6 | 66.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 131 | A | 27.3 | Very low | 27 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -116.2 | 110.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | T133 | A131-T133 PolarHBondContact O-N 3.33Š|
| 132 | L | 26.1 | Very low | 26.9 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -47.9 | 124.4 | 172.8 | -85.3 | 127.7 | 0 | 0 | 0 | 111.2 | ||||
| 133 | T | 23 | Very low | 27.1 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | 35.5 | 98 | 143.8 | 45.4 | 0 | 0 | 0 | 0 | 117.6 | A131 | A131-T133 PolarHBondContact O-N 3.33Š| ||
| 134 | F | 25.3 | Very low | 26.8 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 69% | 0.689 | 75% | 0.747 | S | S | * | * | trans | -133 | 84.4 | 145.2 | -90.2 | -82.4 | 0 | 0 | 0 | 107.9 | L228 | F134-L228 HydrophobicContact CE1-CD1 4.05Å; F134-L228 HydrophobicContact CE2-CD1 4.37Å; F134-L228 HydrophobicContact CZ-CD1 3.56Å | ||
| 135 | T | 25 | Very low | 26.9 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -125.5 | 74.1 | 162.6 | 45.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 136 | E | 29 | Very low | 26.8 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | trans | -129.5 | 92.5 | 158.1 | -82.2 | -175.8 | 179.6 | 0 | 0 | 106.8 | ||||
| 137 | I | 28.5 | Very low | 26.8 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -81.7 | 99.3 | 155 | -64.9 | 171.3 | 0 | 0 | 0 | 102.9 | D139 | I137-D139 PolarHBondContact O-N 2.88Š| ||
| 138 | D | 28.2 | Very low | 26.4 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | trans | -67.1 | 84.5 | 170.1 | -91.8 | -27.3 | 0 | 0 | 0 | 109.3 | ||||
| 139 | D | 31.5 | Very low | 26.2 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -99.7 | 96 | 149.8 | -76.5 | -35.2 | 0 | 0 | 0 | 106.4 | I137 I141 | I137-D139 PolarHBondContact O-N 2.88Å; D139-I141 VanDerWaalsContact C-N 3.33Å; D139-I141 PolarHBondContact O-N 3.07Å | ||
| 140 | E | 27.3 | Very low | 26.2 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 54% | 0.542 | 76% | 0.759 | S | S | . | * | trans | -57.3 | 90.8 | 172.3 | -74.4 | -179 | 149.6 | 0 | 0 | 110.3 | R362 | E140-R362 IonicContact OE2-CZ 3.81Å; E140-R362 IonicContact OE2-NH1 3.93Å; E140-R362 IonicContact OE2-NH2 2.77Å; E140-R362 PolarHBondContact OE2-NH2 3.22Å | ||
| 141 | I | 27.1 | Very low | 26.1 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -120.2 | 112.9 | 157.1 | -57.6 | 179.2 | 0 | 0 | 0 | 107.1 | D139 V143 | D139-I141 VanDerWaalsContact C-N 3.33Å; D139-I141 PolarHBondContact O-N 3.07Å; I141-V143 HydrophobicContact CG2-CG2 4.27Å; I141-V143 PolarHBondContact O-N 3.03Å; I141-V143 VanDerWaalsContact O-N 3.11Å | ||
| 142 | P | 24.8 | Very low | 26.1 | Very low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -79.2 | 101.5 | -177.8 | 30.5 | -30.7 | 0 | 0 | 0 | 109.8 | ||||
| 143 | V | 29.1 | Very low | 25.9 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -102 | 93.3 | 166 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | I141 S145 | I141-V143 HydrophobicContact CG2-CG2 4.27Å; I141-V143 PolarHBondContact O-N 3.03Å; I141-V143 VanDerWaalsContact O-N 3.11Å; V143-S145 PolarHBondContact O-N 3.46Å | ||
| 144 | R | 23 | Very low | 26.2 | Very low | 249 Ų | 249 | 151.7 Ų | 151.7 | 94% | 0.94 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 113.8 | 159.1 | -82.9 | -178.8 | 167.5 | 178.9 | -2 | 108.8 | ||||
| 145 | S | 27.8 | Very low | 26.2 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -153.9 | 133.7 | 145.5 | 65.9 | 0 | 0 | 0 | 0 | 112 | V143 | V143-S145 PolarHBondContact O-N 3.46Š| ||
| 146 | R | 24.5 | Very low | 26.6 | Very low | 256 Ų | 256 | 147.3 Ų | 147.3 | 97% | 0.966 | 78% | 0.781 | S | S | * | * | trans | -65.8 | 145.3 | 178.7 | -68.8 | 168.6 | 167.8 | -167.5 | -3.8 | 111 | ||||
| 147 | G | 26 | Very low | 26.4 | Very low | 76 Ų | 76 | 146.1 Ų | 146.1 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 168.1 | 94.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 148 | S | 22.4 | Very low | 26.6 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -66.5 | 131.9 | 168.4 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 149 | F | 25.4 | Very low | 26.5 | Very low | 202 Ų | 202 | 150.5 Ų | 150.5 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -144.9 | 121.8 | 157.6 | -107.7 | -87.6 | 0 | 0 | 0 | 110.9 | ||||
| 150 | K | 22.2 | Very low | 26.6 | Very low | 206 Ų | 206 | 150.5 Ų | 150.5 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -116.1 | 137.9 | 156.7 | -85.6 | -175.3 | 176.9 | 178.3 | 0 | 107.2 | ||||
| 151 | P | 25.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | trans | -138.3 | 128 | 135.5 | 25.3 | -6.5 | 0 | 0 | 0 | 111.5 | ||||
| 152 | L | 25.9 | Very low | 27 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | 75 | 122.2 | 77.4 | -107.1 | 142.6 | 0 | 0 | 0 | 115.8 | |||||
| 153 | M | 22.6 | Very low | 27.5 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -51.1 | 158.6 | -173.9 | -72 | -162.8 | 152.5 | 0 | 0 | 120.6 | ||||
| 154 | K | 30.3 | Very low | 27.6 | Very low | 211 Ų | 211 | 154 Ų | 154 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | 177.3 | 143.7 | 118 | -97.4 | 171.9 | 177.2 | -179.6 | 0 | 113.5 | |||||
| 155 | G | 24 | Very low | 28.1 | Very low | 72 Ų | 72 | 145.4 Ų | 145.4 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | -81.5 | -139.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 156 | P | 33.3 | Very low | 28.2 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | cis | -142.6 | -161.5 | -9.2 | 32.8 | -6.5 | 0 | 0 | 0 | 115.6 | ||||
| 157 | C | 26.2 | Very low | 28.5 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | 92.5 | 133.9 | 159.5 | -48.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 158 | N | 31.2 | Very low | 28.9 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | cis | -152.5 | 158.1 | 46.2 | -78.7 | -39.4 | 0 | 0 | 0 | 114.8 | ||||
| 159 | E | 26.6 | Very low | 29.3 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -75 | 166.6 | -179.3 | -61.3 | 165.9 | 146.9 | 0 | 0 | 115.3 | ||||
| 160 | V | 33.8 | Very low | 29.7 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | -177.2 | 110.8 | 120.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 161 | D | 31.8 | Very low | 30.3 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 39 | 120.8 | 138.5 | -69.3 | -47.8 | 0 | 0 | 0 | 124.6 | ||||
| 162 | S | 31.8 | Very low | 30.6 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | 85.1 | 138.9 | 91.4 | -65.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 163 | A | 34.4 | Very low | 30.9 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | cis | -160.6 | 175.2 | 22.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 164 | K | 31.3 | Very low | 31.2 | Very low | 216 Ų | 216 | 147.1 Ų | 147.1 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -70.1 | 161.7 | -174.4 | -63 | 164.3 | 170.8 | 172.7 | 0 | 116 | ||||
| 165 | G | 32.3 | Very low | 31.2 | Very low | 70 Ų | 70 | 143.2 Ų | 143.2 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 155.2 | 97.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 166 | T | 31.6 | Very low | 31.4 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | 26.9 | 140.4 | 141.9 | 5.2 | 0 | 0 | 0 | 0 | 126 | ||||
| 167 | Q | 29.3 | Very low | 31.3 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -30.8 | 144.9 | 169.3 | -62.4 | 172.7 | -2.5 | 0 | 0 | 120.6 | ||||
| 168 | T | 35.5 | Very low | 31.3 | Very low | 152 Ų | 152 | 154.8 Ų | 154.8 | 93% | 0.933 | 83% | 0.832 | S | S | * | * | -166 | 156.6 | 129.5 | 17.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 169 | K | 30.8 | Very low | 31.3 | Very low | 186 Ų | 186 | 152 Ų | 152 | 81% | 0.809 | 82% | 0.82 | S | S | * | * | trans | -73.4 | 170.8 | -174 | -73.8 | 173.3 | 165.8 | 178.5 | 0 | 115.1 | ||||
| 170 | E | 33.7 | Very low | 31.3 | Very low | 153 Ų | 153 | 153.2 Ų | 153.2 | 72% | 0.715 | 82% | 0.823 | S | S | * | * | trans | 99.2 | 117.6 | 144.7 | -85.7 | 166 | -152.9 | 0 | 0 | 120.2 | ||||
| 171 | N | 35.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 155.6 Ų | 155.6 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | 67.3 | 114.7 | 135.8 | -59.8 | -16.7 | 0 | 0 | 0 | 120.9 | ||||
| 172 | G | 30.6 | Very low | 30.8 | Very low | 65 Ų | 65 | 157.8 Ų | 157.8 | 67% | 0.67 | 83% | 0.828 | S | S | * | * | 97.3 | 129.2 | 119.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 173 | Y | 31.5 | Very low | 30.4 | Very low | 238 Ų | 238 | 158.5 Ų | 158.5 | 93% | 0.933 | 83% | 0.832 | S | S | * | * | trans | 96.8 | 124.6 | 161.6 | -58.3 | -76.7 | 0 | 0 | 0 | 118.5 | ||||
| 174 | E | 28.8 | Very low | 30 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -64.3 | 140.5 | -180 | -64.3 | 169.8 | 145.8 | 0 | 0 | 111.6 | ||||
| 175 | T | 31.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 156.9 Ų | 156.9 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | trans | -145.3 | 109.4 | 154.3 | -33.2 | 0 | 0 | 0 | 0 | 106.7 | E177 | T175-E177 PolarHBondContact O-N 3.11Š| ||
| 176 | E | 28.1 | Very low | 29.2 | Very low | 201 Ų | 201 | 158.4 Ų | 158.4 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -64.8 | 111 | 166.9 | -79.1 | -172.5 | 145.7 | 0 | 0 | 108.2 | ||||
| 177 | E | 30.6 | Very low | 28.7 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -130.8 | 123.3 | 166.7 | -138.4 | 179.6 | -167.3 | 0 | 0 | 110.4 | T175 T179 | T175-E177 PolarHBondContact O-N 3.11Å; E177-T179 PolarHBondContact O-N 3.37Å; E177-T179 VanDerWaalsContact O-N 3.1Å | ||
| 178 | I | 26.8 | Very low | 28.4 | Very low | 173 Ų | 173 | 158.3 Ų | 158.3 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -70.3 | 99.9 | -176.4 | -63.4 | 164.9 | 0 | 0 | 0 | 108.4 | ||||
| 179 | T | 31.4 | Very low | 27.7 | Very low | 104 Ų | 104 | 156.7 Ų | 156.7 | 64% | 0.638 | 82% | 0.816 | S | S | * | * | trans | -106.8 | 119.1 | 168.9 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | E177 K181 | E177-T179 PolarHBondContact O-N 3.37Å; E177-T179 VanDerWaalsContact O-N 3.1Å; T179-K181 PolarHBondContact O-N 2.84Å | ||
| 180 | K | 27.2 | Very low | 27.4 | Very low | 208 Ų | 208 | 152.4 Ų | 152.4 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | -52.4 | 105.9 | 165.3 | -72.8 | 171.4 | 175.7 | 172.2 | 0 | 109.7 | H182 | K180-H182 PolarHBondContact O-N 2.9Š| ||
| 181 | K | 29.8 | Very low | 27.1 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -89.8 | 101.3 | 168.5 | -80 | -173.3 | 177.1 | 177.8 | 0 | 110 | T179 C183 | T179-K181 PolarHBondContact O-N 2.84Å; K181-C183 PolarHBondContact O-N 2.95Å | ||
| 182 | H | 25.1 | Very low | 26.4 | Very low | 181 Ų | 181 | 151 Ų | 151 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -53.8 | 117.2 | 151.9 | -91.1 | -73.4 | 0 | 0 | 0 | 108.5 | K180 S184 | K180-H182 PolarHBondContact O-N 2.9Å; H182-S184 PolarHBondContact O-N 2.99Å | ||
| 183 | C | 23.3 | Very low | 26.2 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -82.3 | 99.8 | 167.8 | -74.5 | 0 | 0 | 0 | 0 | 108.9 | K181 M185 | K181-C183 PolarHBondContact O-N 2.95Å; C183-M185 PolarHBondContact O-N 3.46Å | ||
| 184 | S | 25.2 | Very low | 26 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65 | 121.3 | 164.2 | -39.9 | 0 | 0 | 0 | 0 | 109 | H182 | H182-S184 PolarHBondContact O-N 2.99Š|
| 185 | M | 21.8 | Very low | 26 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 135.7 | 175 | -163 | 159.9 | 64.3 | 0 | 0 | 109.7 | C183 A187 | C183-M185 PolarHBondContact O-N 3.46Å; M185-A187 PolarHBondContact O-N 3.29Å |
| 186 | P | 24.7 | Very low | 25.9 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 127.8 | 179.3 | 10.4 | -1.6 | 0 | 0 | 0 | 110.9 | Y188 | P186-Y188 HydrophobicContact CB-CD2 4.47Å; P186-Y188 HydrophobicContact CB-CE2 4.48Å |
| 187 | A | 21.2 | Very low | 26.2 | Very low | 105 Ų | 105 | 142 Ų | 142 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 123.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | M185 | M185-A187 PolarHBondContact O-N 3.29Š|
| 188 | Y | 22.8 | Very low | 26.2 | Very low | 216 Ų | 216 | 139.2 Ų | 139.2 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -116.3 | 115.1 | 168.1 | -94.9 | -89.9 | 0 | 0 | 0 | 109.1 | P186 | P186-Y188 HydrophobicContact CB-CD2 4.47Å; P186-Y188 HydrophobicContact CB-CE2 4.48Å | ||
| 189 | S | 21 | Very low | 26.4 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -91.2 | 126.4 | 162 | 69.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 190 | A | 24.8 | Very low | 26.3 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -137.1 | 117.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 191 | N | 26.9 | Very low | 26.6 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -31 | 138.6 | 179 | -64.2 | -30.4 | 0 | 0 | 0 | 116.5 | P193 | N191-P193 WeakPolarHBondContact O-CD 3.23Š| ||
| 192 | C | 21.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | -71.3 | 128.1 | 168.2 | -120.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 193 | P | 26.2 | Very low | 26.8 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | trans | -114.1 | 131.2 | 154 | 10.9 | 10.9 | 0 | 0 | 0 | 110.7 | N191 | N191-P193 WeakPolarHBondContact O-CD 3.23Š| ||
| 194 | N | 26.6 | Very low | 27.1 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -9.1 | 114.9 | 170.9 | -98.4 | -23 | 0 | 0 | 0 | 117.6 | N196 | N194-N196 VanDerWaalsContact C-N 3.27Å; N194-N196 PolarHBondContact O-N 3.21Å | ||
| 195 | F | 28.4 | Very low | 27.1 | Very low | 169 Ų | 169 | 125.3 Ų | 125.3 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -75.1 | -4.8 | 176 | -88.6 | -92.2 | 0 | 0 | 0 | 114.9 | S197 T199 | F195-S197 PolarHBondContact O-N 3.12Å; F195-T199 PolarHBondContact O-OG1 3.09Å |
| 196 | N | 30.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -87.1 | 1.1 | -166.7 | -68.4 | -2.2 | 0 | 0 | 0 | 115.9 | N194 | N194-N196 VanDerWaalsContact C-N 3.27Å; N194-N196 PolarHBondContact O-N 3.21Å |
| 197 | S | 34.1 | Very low | 27.5 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -119.2 | 4.5 | -179.6 | 89.4 | 0 | 0 | 0 | 0 | 115.3 | F195 | F195-S197 PolarHBondContact O-N 3.12Š|
| 198 | L | 29.8 | Very low | 27.6 | Very low | 113 Ų | 113 | 127 Ų | 127 | 59% | 0.592 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -18.1 | -177.7 | -116.4 | 139.7 | 0 | 0 | 0 | 112.7 | L202 | L198-L202 HydrophobicContact CD2-CD1 4.14Š|
| 199 | T | 30.7 | Very low | 28 | Very low | 79 Ų | 79 | 121 Ų | 121 | 49% | 0.485 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -69.7 | -33.3 | 175.7 | 4.6 | 0 | 0 | 0 | 0 | 112.1 | F195 Y203 | F195-T199 PolarHBondContact O-OG1 3.09Å; T199-Y203 WeakPolarHBondContact O-CD2 3.41Å; T199-Y203 PolarHBondContact O-N 3.11Å |
| 200 | D | 30.8 | Very low | 28.2 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 67% | 0.674 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -77.1 | -28.4 | -179.7 | -71.5 | -19.2 | 0 | 0 | 0 | 113.7 | ||
| 201 | E | 32.8 | Very low | 28.2 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -84.2 | -26 | -179.7 | -74.6 | -169.5 | 155.3 | 0 | 0 | 113.4 | ||
| 202 | L | 30.1 | Very low | 28.2 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 64% | 0.639 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -82.1 | -21.3 | 174.5 | -74.6 | 164.1 | 0 | 0 | 0 | 112.7 | L198 C204 | L198-L202 HydrophobicContact CD2-CD1 4.14Å; L202-C204 PolarHBondContact O-N 2.78Å |
| 203 | Y | 29.3 | Very low | 28.3 | Very low | 180 Ų | 180 | 125.5 Ų | 125.5 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -13.8 | 177.9 | -116.6 | -94.3 | 0 | 0 | 0 | 114.4 | T199 | T199-Y203 WeakPolarHBondContact O-CD2 3.41Å; T199-Y203 PolarHBondContact O-N 3.11Å |
| 204 | C | 29 | Very low | 28.3 | Very low | 92 Ų | 92 | 126 Ų | 126 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 8.7 | -173.7 | -86.9 | 0 | 0 | 0 | 0 | 116.1 | L202 K206 | L202-C204 PolarHBondContact O-N 2.78Å; C204-K206 PolarHBondContact O-N 3.48Å |
| 205 | G | 25.8 | Very low | 28.5 | Very low | 52 Ų | 52 | 125 Ų | 125 | 54% | 0.536 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 57.3 | 24.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 206 | K | 25.3 | Very low | 28.4 | Very low | 173 Ų | 173 | 120.5 Ų | 120.5 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 131.5 | 176.2 | -72.3 | -178.4 | 179.4 | 174.3 | 0 | 110 | C204 I208 | C204-K206 PolarHBondContact O-N 3.48Å; K206-I208 PolarHBondContact O-N 2.95Å |
| 207 | S | 29.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.1 | 171.5 | 39.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 208 | I | 24.3 | Very low | 27.9 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 118 | 172.8 | -59.8 | 171.4 | 0 | 0 | 0 | 108 | K206 L210 | K206-I208 PolarHBondContact O-N 2.95Å; I208-L210 PolarHBondContact O-N 3.48Å |
| 209 | P | 30.1 | Very low | 27.7 | Very low | 88 Ų | 88 | 127 Ų | 127 | 57% | 0.571 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 124.7 | 176.1 | 26.2 | -30.4 | 0 | 0 | 0 | 111.1 | Y211 | P209-Y211 HydrophobicContact CB-CD2 4.49Å; P209-Y211 HydrophobicContact CB-CE2 4Å; P209-Y211 HydrophobicContact CG-CE2 3.99Å |
| 210 | L | 25.4 | Very low | 27.5 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | -85.3 | 114.7 | 169 | -78.4 | 166.4 | 0 | 0 | 0 | 109.6 | I208 | I208-L210 PolarHBondContact O-N 3.48Š| ||
| 211 | Y | 25.2 | Very low | 27.3 | Very low | 213 Ų | 213 | 127.8 Ų | 127.8 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | trans | -93.1 | 119.7 | 170.4 | -70.9 | -90.1 | 0 | 0 | 0 | 110.1 | P209 | P209-Y211 HydrophobicContact CB-CD2 4.49Å; P209-Y211 HydrophobicContact CB-CE2 4Å; P209-Y211 HydrophobicContact CG-CE2 3.99Å | ||
| 212 | L | 26.6 | Very low | 27.1 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | -90.9 | 112.8 | 169.6 | -92.7 | 153.5 | 0 | 0 | 0 | 109.4 | ||||
| 213 | G | 24.8 | Very low | 26.8 | Very low | 56 Ų | 56 | 134 Ų | 134 | 58% | 0.577 | 73% | 0.734 | S | S | * | * | trans | -68.9 | 150 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T215 | G213-T215 PolarHBondContact O-N 2.68Š| ||
| 214 | A | 26.5 | Very low | 26.7 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 94% | 0.942 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 5.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 215 | T | 30.1 | Very low | 26.6 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 7.3 | -173.9 | 54.1 | 0 | 0 | 0 | 0 | 115.1 | G213 K217 | G213-T215 PolarHBondContact O-N 2.68Å; T215-K217 PolarHBondContact O-N 3.1Å |
| 216 | G | 25.9 | Very low | 26.7 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | 61.6 | 13.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 217 | K | 26.7 | Very low | 26.9 | Very low | 188 Ų | 188 | 134 Ų | 134 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | -98.7 | 116.4 | 172.9 | -77.8 | -171.9 | 175.1 | -178.9 | 0 | 110 | T215 V219 | T215-K217 PolarHBondContact O-N 3.1Å; K217-V219 PolarHBondContact O-N 3.34Å | ||
| 218 | E | 27.5 | Very low | 26.8 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | trans | -50.9 | 127.1 | 179 | -70.5 | 176.8 | 136.3 | 0 | 0 | 112.4 | I220 | E218-I220 HydrophobicContact CB-CG1 4.45Š| ||
| 219 | V | 24.7 | Very low | 27 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | trans | -105.1 | 102.5 | 153 | 179.8 | 0 | 0 | 0 | 0 | 105.9 | K217 S221 | K217-V219 PolarHBondContact O-N 3.34Å; V219-S221 PolarHBondContact O-N 3.48Å | ||
| 220 | I | 26.6 | Very low | 27 | Very low | 137 Ų | 137 | 133 Ų | 133 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | trans | -67.4 | 96.2 | 175.5 | -58.3 | 170.2 | 0 | 0 | 0 | 107.6 | E218 K222 | E218-I220 HydrophobicContact CB-CG1 4.45Å; I220-K222 PolarHBondContact O-N 3.31Å | ||
| 221 | S | 27.8 | Very low | 27.1 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | trans | -78.9 | 113.9 | 161.4 | 67.8 | 0 | 0 | 0 | 0 | 108.4 | V219 | V219-S221 PolarHBondContact O-N 3.48Š| ||
| 222 | K | 27.8 | Very low | 27.3 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | trans | -44.7 | 135.3 | -175.3 | -70.3 | 168.6 | 172.2 | 176.5 | 0 | 114.2 | I220 | I220-K222 PolarHBondContact O-N 3.31Š| ||
| 223 | R | 25.3 | Very low | 27.2 | Very low | 216 Ų | 216 | 127.9 Ų | 127.9 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | trans | -69.1 | 120.1 | 159.2 | -87.5 | 178.7 | 172.3 | 169.7 | -1.6 | 109.3 | H462 | R223-H462 PolarHBondContact NH2-O 3.37Š| ||
| 224 | A | 25.8 | Very low | 27.3 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -149.7 | 132.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 225 | S | 27.6 | Very low | 27.5 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | -157.1 | 157.7 | 8.6 | -63.8 | 0 | 0 | 0 | 0 | 107.7 | D227 | S225-D227 PolarHBondContact O-N 2.63Š| ||
| 226 | L | 26.9 | Very low | 27.4 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -58.3 | 130.2 | 151.6 | -108 | 89.9 | 0 | 0 | 0 | 107.3 | L228 | L226-L228 PolarHBondContact O-N 2.99Š| ||
| 227 | D | 29.7 | Very low | 27.5 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -70.7 | 92.9 | 175.3 | -141 | -0.8 | 0 | 0 | 0 | 108.6 | S225 | S225-D227 PolarHBondContact O-N 2.63Š| ||
| 228 | L | 28.3 | Very low | 27.4 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 56% | 0.555 | 75% | 0.75 | S | S | * | * | trans | -104.6 | 90.7 | 162.4 | -73.6 | 168.7 | 0 | 0 | 0 | 105.1 | F134 L226 E230 | F134-L228 HydrophobicContact CE1-CD1 4.05Å; F134-L228 HydrophobicContact CE2-CD1 4.37Å; F134-L228 HydrophobicContact CZ-CD1 3.56Å; L226-L228 PolarHBondContact O-N 2.99Å; L228-E230 PolarHBondContact O-N 3.49Å | ||
| 229 | G | 28.2 | Very low | 27.3 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 96.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 230 | E | 29.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 62% | 0.621 | 75% | 0.75 | S | S | * | * | trans | -78.8 | 148.3 | 152.8 | -94.9 | 170.3 | -158.3 | 0 | 0 | 109.8 | L228 | L228-E230 PolarHBondContact O-N 3.49Š| ||
| 231 | F | 27.2 | Very low | 27.4 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | -49.5 | 144 | 178.1 | -82.8 | -113.7 | 0 | 0 | 0 | 114.1 | ||||
| 232 | S | 29.4 | Very low | 27.4 | Very low | 94 Ų | 94 | 146.6 Ų | 146.6 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | -116.6 | 108.6 | 145.8 | 44.3 | 0 | 0 | 0 | 0 | 109 | L234 | S232-L234 PolarHBondContact O-N 2.95Š| ||
| 233 | E | 25.4 | Very low | 27.4 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -53.2 | 115.1 | 155.1 | -69.5 | -180 | 136.6 | 0 | 0 | 108 | ||||
| 234 | L | 27.3 | Very low | 27.5 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | 174 | 60.6 | 153.1 | -94.1 | 154.5 | 0 | 0 | 0 | 111.1 | S232 | S232-L234 PolarHBondContact O-N 2.95Š| ||
| 235 | Q | 29.5 | Very low | 27.6 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -141.2 | 51.5 | 147.1 | -75 | -152.6 | 8.4 | 0 | 0 | 109.9 | ||||
| 236 | F | 28.2 | Very low | 27.5 | Very low | 213 Ų | 213 | 148.2 Ų | 148.2 | 93% | 0.934 | 78% | 0.778 | S | S | * | * | trans | -121.5 | 81.3 | 162.2 | -80.2 | -78.4 | 0 | 0 | 0 | 108.6 | ||||
| 237 | E | 27.8 | Very low | 27.5 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -129.8 | 115.4 | 155.1 | -117.4 | -159.5 | 130.4 | 0 | 0 | 108.9 | ||||
| 238 | K | 25.7 | Very low | 27.5 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 72.6 | 90.9 | 157.3 | -61.5 | 167.5 | -177 | 147.9 | 0 | 118 | ||||
| 239 | S | 25.1 | Very low | 27.5 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | -156.4 | 113.6 | 128.3 | -163.7 | 0 | 0 | 0 | 0 | 111.2 | V241 | S239-V241 PolarHBondContact O-N 2.97Š| |||
| 240 | P | 25.4 | Very low | 27.5 | Very low | 125 Ų | 125 | 149 Ų | 149 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -82.8 | 98.6 | 173.5 | 31.9 | -27.7 | 0 | 0 | 0 | 109.1 | ||||
| 241 | V | 28.3 | Very low | 27.3 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -86.1 | 114.9 | 166.9 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | S239 I243 | S239-V241 PolarHBondContact O-N 2.97Å; V241-I243 PolarHBondContact O-N 3.26Å | ||
| 242 | K | 26.3 | Very low | 27.5 | Very low | 197 Ų | 197 | 149.9 Ų | 149.9 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 116.9 | -179.9 | -71.2 | 173.3 | 175.6 | 177.4 | 0 | 111.3 | ||
| 243 | I | 27.6 | Very low | 27.4 | Very low | 152 Ų | 152 | 156.7 Ų | 156.7 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 126.6 | 159.6 | -59.8 | 173.3 | 0 | 0 | 0 | 106.9 | V241 Q245 | V241-I243 PolarHBondContact O-N 3.26Å; I243-Q245 PolarHBondContact O-N 3.18Å |
| 244 | P | 27.8 | Very low | 27.6 | Very low | 120 Ų | 120 | 157.3 Ų | 157.3 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123 | 172.6 | -15.5 | 28.9 | 0 | 0 | 0 | 109.9 | ||
| 245 | Q | 29.1 | Very low | 27.8 | Very low | 187 Ų | 187 | 157.6 Ų | 157.6 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63 | 129.5 | 173.7 | -69.8 | 171.1 | -29.9 | 0 | 0 | 110.2 | I243 P247 | I243-Q245 PolarHBondContact O-N 3.18Å; Q245-P247 WeakPolarHBondContact O-CD 3.32Å |
| 246 | N | 25 | Very low | 27.6 | Very low | 164 Ų | 164 | 159.4 Ų | 159.4 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 134 | 160 | -96.8 | -27.1 | 0 | 0 | 0 | 109.8 | ||
| 247 | P | 27.2 | Very low | 27.9 | Very low | 106 Ų | 106 | 156.4 Ų | 156.4 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | trans | -115.9 | 131.9 | 142.9 | 39.3 | -28 | 0 | 0 | 0 | 105.6 | Q245 | Q245-P247 WeakPolarHBondContact O-CD 3.32Š| ||
| 248 | T | 30.2 | Very low | 28 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | 179 | 148.6 | 52.7 | -42 | 0 | 0 | 0 | 0 | 106 | |||||
| 249 | Q | 27.4 | Very low | 28.1 | Very low | 196 Ų | 196 | 158.1 Ų | 158.1 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -48.1 | 140.4 | 166.5 | -66.1 | 167.4 | -28.9 | 0 | 0 | 112.5 | ||||
| 250 | G | 27.3 | Very low | 28.3 | Very low | 73 Ų | 73 | 158 Ų | 158 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -167.4 | 81.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 251 | T | 26.1 | Very low | 28.5 | Very low | 137 Ų | 137 | 157.6 Ų | 157.6 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -38.9 | 135.3 | 164.8 | 41.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 252 | L | 31.1 | Very low | 28.5 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -174.8 | 91.6 | 145.4 | -95.6 | 163.5 | 0 | 0 | 0 | 106.9 | ||||
| 253 | R | 28.3 | Very low | 28.8 | Very low | 237 Ų | 237 | 155 Ų | 155 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | 69.3 | 121.4 | 104 | -101.6 | -171.8 | 175.9 | -174.1 | -1.3 | 114.7 | E255 | R253-E255 PolarHBondContact O-N 3.1Š| |||
| 254 | E | 28.5 | Very low | 29 | Very low | 190 Ų | 190 | 156.3 Ų | 156.3 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -45.2 | 124.8 | 168.6 | -61.6 | 165.8 | 132.6 | 0 | 0 | 112.2 | ||||
| 255 | E | 31.3 | Very low | 29 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -127.7 | 101.6 | 149.7 | -96.5 | -173.7 | 168.2 | 0 | 0 | 108.8 | R253 L257 | R253-E255 PolarHBondContact O-N 3.1Å; E255-L257 PolarHBondContact O-N 3.44Å | ||
| 256 | R | 26.9 | Very low | 29.2 | Very low | 232 Ų | 232 | 155.3 Ų | 155.3 | 88% | 0.875 | 82% | 0.822 | S | S | * | * | trans | -58.3 | 119.8 | 154.6 | -71.9 | 173 | 167.5 | 164.3 | -3.7 | 107.4 | ||||
| 257 | L | 33.3 | Very low | 29.5 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -123.8 | 113 | 162.5 | -75.5 | 173.8 | 0 | 0 | 0 | 110.5 | E255 | E255-L257 PolarHBondContact O-N 3.44Š| ||
| 258 | N | 29.7 | Very low | 29.7 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -61.3 | 139.7 | 179.9 | -67.9 | -41.5 | 0 | 0 | 0 | 112 | S260 | N258-S260 PolarHBondContact O-N 2.87Š| ||
| 259 | F | 27.9 | Very low | 29.6 | Very low | 219 Ų | 219 | 150.4 Ų | 150.4 | 96% | 0.961 | 81% | 0.814 | S | S | * | * | trans | -73.6 | 117.1 | 157.2 | -83.9 | -93 | 0 | 0 | 0 | 109.2 | ||||
| 260 | S | 30.4 | Very low | 30 | Very low | 100 Ų | 100 | 149.5 Ų | 149.5 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -164 | 106.9 | 163.7 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | N258 | N258-S260 PolarHBondContact O-N 2.87Š| ||
| 261 | S | 29.2 | Very low | 30.2 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 24.3 | 126.3 | 146.2 | 63.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 262 | G | 27.6 | Very low | 30.5 | Very low | 62 Ų | 62 | 153 Ų | 153 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | trans | 147.7 | 131.2 | 141.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 263 | F | 33.4 | Very low | 30.6 | Very low | 206 Ų | 206 | 157.2 Ų | 157.2 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | 93 | 81.9 | 154.4 | -62.3 | -80.9 | 0 | 0 | 0 | 119.2 | ||||
| 264 | H | 30.5 | Very low | 30.8 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | 8.2 | 134 | 125 | -73.7 | -77.9 | 0 | 0 | 0 | 119.9 | |||||
| 265 | S | 28.6 | Very low | 31 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 80.6 | 97.4 | 135.9 | -169.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 266 | L | 34.4 | Very low | 31.4 | Very low | 178 Ų | 178 | 144 Ų | 144 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | -150.5 | 99.7 | 128.7 | -101.3 | 152.8 | 0 | 0 | 0 | 108.1 | |||||
| 267 | A | 30 | Very low | 32 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -76.5 | 162.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 268 | S | 31.6 | Very low | 32.9 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 87.4 | 117.6 | 175.7 | -169.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 269 | S | 28.5 | Very low | 33.8 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | cis | -174.2 | 162.5 | 20.3 | 38.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 270 | H | 35.8 | Very low | 34.8 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 82% | 0.819 | 75% | 0.75 | S | S | * | * | trans | 88.7 | 88.8 | 166.7 | -64 | -68.5 | 0 | 0 | 0 | 119.6 | ||||
| 271 | A | 31.8 | Very low | 36 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | 63.8 | 88.9 | 120.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | R273 | A271-R273 PolarHBondContact O-N 3.5Š| |||
| 272 | E | 31.8 | Very low | 37.6 | Very low | 201 Ų | 201 | 127.4 Ų | 127.4 | 94% | 0.939 | 73% | 0.725 | S | S | * | * | 47.8 | 66.7 | 124.7 | -61.8 | -175.9 | 173.4 | 0 | 0 | 117.7 | |||||
| 273 | R | 33.1 | Very low | 39.4 | Very low | 249 Ų | 249 | 127.3 Ų | 127.3 | 94% | 0.94 | 72% | 0.718 | S | S | * | * | trans | -93.9 | 78.3 | 154.1 | -105 | -177.7 | -173.2 | -160.9 | 3.2 | 109.5 | A271 G275 | A271-R273 PolarHBondContact O-N 3.5Å; R273-G275 PolarHBondContact O-N 3.39Å | ||
| 274 | G | 32.3 | Very low | 41.1 | Very low | 74 Ų | 74 | 121.7 Ų | 121.7 | 76% | 0.763 | 70% | 0.7 | S | S | * | * | trans | -76.6 | 60.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F276 | G274-F276 PolarHBondContact O-N 2.78Š| ||
| 275 | G | 32.7 | Very low | 42.8 | Very low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | trans | -84.1 | 79.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R273 N277 | R273-G275 PolarHBondContact O-N 3.39Å; G275-N277 PolarHBondContact O-N 3.16Å; G275-N277 VanDerWaalsContact O-N 3.12Å | ||
| 276 | F | 40.3 | Very low | 44.7 | Very low | 179 Ų | 179 | 117.5 Ų | 117.5 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | trans | -62.7 | 111.5 | 163.9 | -84.8 | -86.8 | 0 | 0 | 0 | 108.3 | G274 P278 | G274-F276 PolarHBondContact O-N 2.78Å; F276-P278 WeakPolarHBondContact O-CD 3.45Å | ||
| 277 | N | 39.7 | Very low | 46.5 | Very low | 101 Ų | 101 | 115.8 Ų | 115.8 | 54% | 0.54 | 65% | 0.65 | S | S | . | * | trans | -57.4 | 116.5 | -179.5 | -96.6 | -28.6 | 0 | 0 | 0 | 110.5 | G275 I279 L280 | G275-N277 PolarHBondContact O-N 3.16Å; G275-N277 VanDerWaalsContact O-N 3.12Å; N277-I279 PolarHBondContact O-N 2.81Å; N277-I279 VanDerWaalsContact O-N 3.16Å; N277-L280 HydrophobicContact CB-CB 4.43Å; N277-L280 HydrophobicContact CB-CD1 4.08Å; N277-L280 HydrophobicContact CB-CG 4.43Å; N277-L280 PolarHBondContact O-N 3.3Å | ||
| 278 | P | 51.9 | Low | 48.5 | Very low | 86 Ų | 86 | 115.2 Ų | 115.2 | 56% | 0.558 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59.1 | -30.1 | -179.7 | 20.5 | -30.7 | 0 | 0 | 0 | 112.7 | F276 L280 N281 D282 | F276-P278 WeakPolarHBondContact O-CD 3.45Å; P278-L280 VanDerWaalsContact C-N 3.31Å; P278-L280 PolarHBondContact O-N 3.14Å; P278-N281 PolarHBondContact O-N 3.4Å; P278-D282 PolarHBondContact O-N 2.95Å |
| 279 | I | 48.1 | Very low | 50.4 | Low | 133 Ų | 133 | 112.4 Ų | 112.4 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.4 | -35.7 | 177.8 | -57.7 | 172 | 0 | 0 | 0 | 112.3 | N277 A283 | N277-I279 PolarHBondContact O-N 2.81Å; N277-I279 VanDerWaalsContact O-N 3.16Å; I279-A283 PolarHBondContact O-N 3.5Å; I279-A283 VanDerWaalsContact O-N 3.17Å |
| 280 | L | 50 | Low | 52.5 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 59% | 0.586 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.8 | -36.9 | 178.2 | -83.6 | 165.4 | 0 | 0 | 0 | 111.3 | N277 P278 V284 | N277-L280 HydrophobicContact CB-CB 4.43Å; N277-L280 HydrophobicContact CB-CD1 4.08Å; N277-L280 HydrophobicContact CB-CG 4.43Å; N277-L280 PolarHBondContact O-N 3.3Å; P278-L280 VanDerWaalsContact C-N 3.31Å; P278-L280 PolarHBondContact O-N 3.14Å; L280-V284 VanDerWaalsContact O-CG2 3.26Å; L280-V284 WeakPolarHBondContact O-CG2 3.43Å; L280-V284 PolarHBondContact O-N 3.36Å; L280-V284 VanDerWaalsContact O-N 3.09Å |
| 281 | N | 55.1 | Low | 54.3 | Low | 75 Ų | 75 | 109.7 Ų | 109.7 | 40% | 0.401 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64 | -45.6 | 174.6 | -76.3 | -19.1 | 0 | 0 | 0 | 110.7 | P278 A283 V284 Y285 | P278-N281 PolarHBondContact O-N 3.4Å; N281-A283 VanDerWaalsContact C-N 3.35Å; N281-A283 PolarHBondContact O-N 3.17Å; N281-V284 PolarHBondContact O-N 3.15Å; N281-Y285 HydrophobicContact CB-CD2 4.42Å; N281-Y285 HydrophobicContact CB-CE2 4.42Å; N281-Y285 WeakPolarHBondContact O-CD2 3.43Å; N281-Y285 PolarHBondContact O-N 3.03Å |
| 282 | D | 62.9 | Low | 56.4 | Low | 111 Ų | 111 | 109.7 Ų | 109.7 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.5 | -41.5 | 179.8 | -68.5 | -16.2 | 0 | 0 | 0 | 112.4 | P278 Y285 A286 | P278-D282 PolarHBondContact O-N 2.95Å; D282-Y285 PolarHBondContact O-N 2.85Å; D282-A286 WeakPolarHBondContact O-CB 3.23Å; D282-A286 PolarHBondContact O-N 2.88Å |
| 283 | A | 65.1 | Low | 58.4 | Low | 59 Ų | 59 | 101.9 Ų | 101.9 | 49% | 0.488 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I279 N281 R287 | I279-A283 PolarHBondContact O-N 3.5Å; I279-A283 VanDerWaalsContact O-N 3.17Å; N281-A283 VanDerWaalsContact C-N 3.35Å; N281-A283 PolarHBondContact O-N 3.17Å; A283-R287 WeakPolarHBondContact O-CB 3.43Å; A283-R287 PolarHBondContact O-N 3.37Å |
| 284 | V | 68.1 | Low | 60.4 | Low | 88 Ų | 88 | 94.3 Ų | 94.3 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | L280 N281 R287 V288 | L280-V284 VanDerWaalsContact O-CG2 3.26Å; L280-V284 WeakPolarHBondContact O-CG2 3.43Å; L280-V284 PolarHBondContact O-N 3.36Å; L280-V284 VanDerWaalsContact O-N 3.09Å; N281-V284 PolarHBondContact O-N 3.15Å; V284-R287 PolarHBondContact O-N 3.15Å; V284-V288 HydrophobicContact CG1-CG2 4.44Å; V284-V288 WeakPolarHBondContact O-CG2 3.05Å; V284-V288 PolarHBondContact O-N 2.77Å |
| 285 | Y | 67.3 | Low | 62.5 | Low | 167 Ų | 167 | 97.3 Ų | 97.3 | 66% | 0.655 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.8 | -48.4 | 175.8 | -84.2 | -69.3 | 0 | 0 | 0 | 112 | N281 D282 R287 V288 E289 | N281-Y285 HydrophobicContact CB-CD2 4.42Å; N281-Y285 HydrophobicContact CB-CE2 4.42Å; N281-Y285 WeakPolarHBondContact O-CD2 3.43Å; N281-Y285 PolarHBondContact O-N 3.03Å; D282-Y285 PolarHBondContact O-N 2.85Å; Y285-R287 VanDerWaalsContact C-N 3.26Å; Y285-R287 PolarHBondContact O-N 3.26Å; Y285-V288 PolarHBondContact O-N 2.86Å; Y285-E289 WeakPolarHBondContact O-CB 3.05Å; Y285-E289 PolarHBondContact O-N 3.16Å |
| 286 | A | 68 | Low | 64.7 | Low | 34 Ų | 34 | 98.3 Ų | 98.3 | 28% | 0.281 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -38.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D282 M290 I365 | D282-A286 WeakPolarHBondContact O-CB 3.23Å; D282-A286 PolarHBondContact O-N 2.88Å; A286-M290 WeakPolarHBondContact O-CB 3.44Å; A286-M290 PolarHBondContact O-N 3.44Å; A286-I365 HydrophobicContact CB-CD1 3.79Å |
| 287 | R | 72.5 | Confident | 66.6 | Low | 142 Ų | 142 | 90 Ų | 90 | 54% | 0.536 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.6 | -49.9 | 175.9 | -178.5 | 177.9 | 173.1 | 176.3 | 0 | 112.2 | A283 V284 Y285 E289 M290 E291 | A283-R287 WeakPolarHBondContact O-CB 3.43Å; A283-R287 PolarHBondContact O-N 3.37Å; V284-R287 PolarHBondContact O-N 3.15Å; Y285-R287 VanDerWaalsContact C-N 3.26Å; Y285-R287 PolarHBondContact O-N 3.26Å; R287-E289 VanDerWaalsContact C-N 3.26Å; R287-E289 PolarHBondContact O-N 3.46Å; R287-M290 PolarHBondContact O-N 3.48Å; R287-E291 HydrophobicContact CG-CG 4.47Å; R287-E291 IonicContact CZ-OE1 3.61Å; R287-E291 IonicContact NE-OE1 2.89Å; R287-E291 PolarHBondContact NE-OE1 3.33Å; R287-E291 IonicContact NH2-OE1 3.42Å; R287-E291 PolarHBondContact NH2-OE1 3.49Å; R287-E291 WeakPolarHBondContact O-CB 3.25Å; R287-E291 WeakPolarHBondContact O-CG 3.37Å; R287-E291 PolarHBondContact O-N 3.24Å |
| 288 | V | 72.3 | Confident | 68.5 | Low | 76 Ų | 76 | 89.3 Ų | 89.3 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 178.3 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | V284 Y285 T292 | V284-V288 HydrophobicContact CG1-CG2 4.44Å; V284-V288 WeakPolarHBondContact O-CG2 3.05Å; V284-V288 PolarHBondContact O-N 2.77Å; Y285-V288 PolarHBondContact O-N 2.86Å; V288-T292 WeakPolarHBondContact O-CB 3.08Å; V288-T292 PolarHBondContact O-N 3.23Å; V288-T292 PolarHBondContact O-OG1 2.91Å |
| 289 | E | 71 | Confident | 69.9 | Low | 56 Ų | 56 | 88.1 Ų | 88.1 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 176.5 | -169.7 | -178.2 | 160 | 0 | 0 | 112.1 | Y285 R287 T292 K293 I365 | Y285-E289 WeakPolarHBondContact O-CB 3.05Å; Y285-E289 PolarHBondContact O-N 3.16Å; R287-E289 VanDerWaalsContact C-N 3.26Å; R287-E289 PolarHBondContact O-N 3.46Å; E289-T292 PolarHBondContact O-N 3.3Å; E289-K293 HydrophobicContact CG-CD 4.44Å; E289-K293 WeakPolarHBondContact O-CG 3.48Å; E289-K293 PolarHBondContact O-N 3.32Å; E289-K293 WeakPolarHBondContact OE1-CE 3.32Å; E289-K293 IonicContact OE1-NZ 3.24Å; E289-K293 PolarHBondContact OE1-NZ 3.45Å; E289-I365 VanDerWaalsContact CD-CG2 3.41Å; E289-I365 WeakPolarHBondContact OE1-CG2 3.25Å; E289-I365 WeakPolarHBondContact OE2-CG2 3.37Å |
| 290 | M | 72.7 | Confident | 71.3 | Confident | 124 Ų | 124 | 82 Ų | 82 | 61% | 0.611 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 176.5 | -169.4 | -174.6 | -172.8 | 0 | 0 | 111.8 | A286 R287 T292 K293 L294 L361 | A286-M290 WeakPolarHBondContact O-CB 3.44Å; A286-M290 PolarHBondContact O-N 3.44Å; R287-M290 PolarHBondContact O-N 3.48Å; M290-T292 VanDerWaalsContact C-N 3.31Å; M290-T292 PolarHBondContact O-N 3.28Å; M290-K293 PolarHBondContact O-N 2.79Å; M290-L294 WeakPolarHBondContact O-CB 3.46Å; M290-L294 PolarHBondContact O-N 3.35Å; M290-L361 HydrophobicContact CG-CD2 4.47Å |
| 291 | E | 74.3 | Confident | 72.7 | Confident | 84 Ų | 84 | 80 Ų | 80 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 175.3 | -74.4 | 176.6 | -175.4 | 0 | 0 | 110.9 | R287 L294 M295 | R287-E291 HydrophobicContact CG-CG 4.47Å; R287-E291 IonicContact CZ-OE1 3.61Å; R287-E291 IonicContact NE-OE1 2.89Å; R287-E291 PolarHBondContact NE-OE1 3.33Å; R287-E291 IonicContact NH2-OE1 3.42Å; R287-E291 PolarHBondContact NH2-OE1 3.49Å; R287-E291 WeakPolarHBondContact O-CB 3.25Å; R287-E291 WeakPolarHBondContact O-CG 3.37Å; R287-E291 PolarHBondContact O-N 3.24Å; E291-L294 PolarHBondContact O-N 3.3Å; E291-M295 WeakPolarHBondContact O-CG 3.5Å; E291-M295 PolarHBondContact O-N 2.7Å |
| 292 | T | 74.5 | Confident | 73.9 | Confident | 84 Ų | 84 | 81.4 Ų | 81.4 | 52% | 0.515 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.1 | -57 | 0 | 0 | 0 | 0 | 112 | V288 E289 M290 L294 M295 R296 | V288-T292 WeakPolarHBondContact O-CB 3.08Å; V288-T292 PolarHBondContact O-N 3.23Å; V288-T292 PolarHBondContact O-OG1 2.91Å; E289-T292 PolarHBondContact O-N 3.3Å; M290-T292 VanDerWaalsContact C-N 3.31Å; M290-T292 PolarHBondContact O-N 3.28Å; T292-L294 VanDerWaalsContact C-N 3.33Å; T292-L294 PolarHBondContact O-N 3.16Å; T292-M295 PolarHBondContact O-N 2.81Å; T292-R296 PolarHBondContact O-N 3.38Å |
| 293 | K | 73.7 | Confident | 74.6 | Confident | 37 Ų | 37 | 79.8 Ų | 79.8 | 16% | 0.161 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.5 | -74.4 | 174.3 | -176.4 | 167.8 | 0 | 111.4 | E289 M290 R296 L297 L361 | E289-K293 HydrophobicContact CG-CD 4.44Å; E289-K293 WeakPolarHBondContact O-CG 3.48Å; E289-K293 PolarHBondContact O-N 3.32Å; E289-K293 WeakPolarHBondContact OE1-CE 3.32Å; E289-K293 IonicContact OE1-NZ 3.24Å; E289-K293 PolarHBondContact OE1-NZ 3.45Å; M290-K293 PolarHBondContact O-N 2.79Å; K293-R296 PolarHBondContact O-N 3.13Å; K293-L297 WeakPolarHBondContact O-CB 3.49Å; K293-L297 PolarHBondContact O-N 3.43Å; K293-L361 HydrophobicContact CB-CD2 3.97Å; K293-L361 HydrophobicContact CD-CD2 4.22Å |
| 294 | L | 75.5 | Confident | 75.1 | Confident | 90 Ų | 90 | 81.5 Ų | 81.5 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 177.9 | -168.3 | 71.6 | 0 | 0 | 0 | 112.1 | M290 E291 T292 R296 L297 N298 | M290-L294 WeakPolarHBondContact O-CB 3.46Å; M290-L294 PolarHBondContact O-N 3.35Å; E291-L294 PolarHBondContact O-N 3.3Å; T292-L294 VanDerWaalsContact C-N 3.33Å; T292-L294 PolarHBondContact O-N 3.16Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.28Å; L294-L297 HydrophobicContact CD1-CD2 4.46Å; L294-L297 WeakPolarHBondContact O-CB 3.34Å; L294-L297 PolarHBondContact O-N 3.33Å; L294-N298 PolarHBondContact O-N 3.24Å |
| 295 | M | 78 | Confident | 75.4 | Confident | 137 Ų | 137 | 84.1 Ų | 84.1 | 68% | 0.675 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 172.9 | -73.5 | -174 | -173.1 | 0 | 0 | 111.5 | E291 T292 N298 S299 | E291-M295 WeakPolarHBondContact O-CG 3.5Å; E291-M295 PolarHBondContact O-N 2.7Å; T292-M295 PolarHBondContact O-N 2.81Å; M295-N298 PolarHBondContact O-N 3.49Å; M295-S299 PolarHBondContact O-N 2.84Å |
| 296 | R | 78.7 | Confident | 75.9 | Confident | 89 Ų | 89 | 82 Ų | 82 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 174.5 | -176.2 | 178.1 | 172.9 | 120.8 | 0.8 | 112 | T292 K293 L294 N298 S299 L300 E353 L357 E411 | T292-R296 PolarHBondContact O-N 3.38Å; K293-R296 PolarHBondContact O-N 3.13Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.28Å; R296-N298 PolarHBondContact O-N 3.44Å; R296-S299 PolarHBondContact O-N 3.3Å; R296-S299 PolarHBondContact O-OG 3.45Å; R296-L300 HydrophobicContact CG-CD1 4.17Å; R296-L300 WeakPolarHBondContact O-CG 3.47Å; R296-L300 PolarHBondContact O-N 3.47Å; R296-E353 IonicContact CZ-OE1 2.78Å; R296-E353 IonicContact NE-OE1 2.68Å; R296-E353 PolarHBondContact NE-OE1 3.49Å; R296-E353 IonicContact NH2-OE1 3.88Å; R296-E353 PolarHBondContact NH2-OE1 2.91Å; R296-L357 HydrophobicContact CG-CD1 3.92Å; R296-E411 IonicContact CZ-OE1 3.27Å; R296-E411 IonicContact NH1-OE1 3.44Å; R296-E411 VanDerWaalsContact NH2-CD 3.27Å; R296-E411 IonicContact NH2-OE1 2.63Å; R296-E411 PolarHBondContact NH2-OE1 3.11Å; R296-E411 IonicContact NH2-OE2 3.51Å; R296-E411 PolarHBondContact NH2-OE2 2.89Å; R296-E411 VanDerWaalsContact NH2-OE2 3.11Å |
| 297 | L | 79.2 | Confident | 76.2 | Confident | 4 Ų | 4 | 80.5 Ų | 80.5 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 176.4 | -178.6 | 65.3 | 0 | 0 | 0 | 111.6 | K293 L294 L300 K301 I354 Y358 L361 | K293-L297 WeakPolarHBondContact O-CB 3.49Å; K293-L297 PolarHBondContact O-N 3.43Å; L294-L297 HydrophobicContact CD1-CD2 4.46Å; L294-L297 WeakPolarHBondContact O-CB 3.34Å; L294-L297 PolarHBondContact O-N 3.33Å; L297-L300 PolarHBondContact O-N 2.91Å; L297-K301 WeakPolarHBondContact O-CG 3.45Å; L297-K301 PolarHBondContact O-N 3.28Å; L297-I354 HydrophobicContact CD1-CB 4.44Å; L297-I354 HydrophobicContact CD1-CG1 4.28Å; L297-I354 HydrophobicContact CD1-CG2 3.96Å; L297-Y358 HydrophobicContact CD1-CD2 4.25Å; L297-Y358 HydrophobicContact CD1-CE2 3.91Å; L297-Y358 HydrophobicContact CD2-CD1 4.5Å; L297-Y358 HydrophobicContact CD2-CE1 3.91Å; L297-Y358 HydrophobicContact CD2-CE2 4.36Å; L297-L361 HydrophobicContact CD2-CD1 4.2Å |
| 298 | N | 78.9 | Confident | 76.2 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 178.4 | -75.6 | -22.1 | 0 | 0 | 0 | 112.2 | L294 M295 R296 L300 K301 E302 | L294-N298 PolarHBondContact O-N 3.24Å; M295-N298 PolarHBondContact O-N 3.49Å; R296-N298 PolarHBondContact O-N 3.44Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 2.92Å; N298-K301 PolarHBondContact O-N 2.92Å; N298-E302 PolarHBondContact O-N 2.88Å |
| 299 | S | 81.3 | Confident | 76.2 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 176.7 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | M295 R296 E302 M303 | M295-S299 PolarHBondContact O-N 2.84Å; R296-S299 PolarHBondContact O-N 3.3Å; R296-S299 PolarHBondContact O-OG 3.45Å; S299-E302 PolarHBondContact O-N 2.84Å; S299-M303 PolarHBondContact O-N 3.48Å |
| 300 | L | 79 | Confident | 76.4 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 174.6 | -71.9 | 168.9 | 0 | 0 | 0 | 112.4 | R296 L297 N298 E302 M303 R304 V350 E353 I354 L357 E411 | R296-L300 HydrophobicContact CG-CD1 4.17Å; R296-L300 WeakPolarHBondContact O-CG 3.47Å; R296-L300 PolarHBondContact O-N 3.47Å; L297-L300 PolarHBondContact O-N 2.91Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 2.92Å; L300-E302 VanDerWaalsContact C-N 3.29Å; L300-E302 PolarHBondContact O-N 2.86Å; L300-M303 PolarHBondContact O-N 3.25Å; L300-R304 WeakPolarHBondContact O-CB 3.38Å; L300-R304 PolarHBondContact O-N 3.49Å; L300-V350 HydrophobicContact CB-CG1 4.16Å; L300-V350 HydrophobicContact CD2-CG1 4.18Å; L300-V350 HydrophobicContact CD2-CG2 4.48Å; L300-V350 VanDerWaalsContact O-CG1 3.29Å; L300-V350 WeakPolarHBondContact O-CG1 3.47Å; L300-E353 HydrophobicContact CD1-CB 4.38Å; L300-E353 HydrophobicContact CD1-CG 3.57Å; L300-E353 HydrophobicContact CD2-CG 4.41Å; L300-I354 HydrophobicContact CB-CD1 4.13Å; L300-I354 HydrophobicContact CB-CG1 3.76Å; L300-I354 HydrophobicContact CD1-CG1 4.39Å; L300-L357 HydrophobicContact CD1-CD1 3.37Å; L300-E411 HydrophobicContact CD2-CB 3.85Å; L300-E411 HydrophobicContact CD2-CG 4.19Å |
| 301 | K | 79.2 | Confident | 76.1 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 173.6 | -75.8 | 179 | 177.9 | -176.5 | 0 | 111.9 | L297 N298 R304 Y305 I354 Y358 | L297-K301 WeakPolarHBondContact O-CG 3.45Å; L297-K301 PolarHBondContact O-N 3.28Å; N298-K301 PolarHBondContact O-N 2.92Å; K301-R304 WeakPolarHBondContact O-CB 3.23Å; K301-Y305 PolarHBondContact O-N 2.88Å; K301-Y305 VanDerWaalsContact O-N 3.16Å; K301-I354 HydrophobicContact CG-CD1 4.33Å; K301-Y358 VanDerWaalsContact CE-OH 3.26Å; K301-Y358 WeakPolarHBondContact CE-OH 3.37Å; K301-Y358 PolarHBondContact NZ-OH 3.28Å |
| 302 | E | 79.3 | Confident | 75.6 | Confident | 104 Ų | 104 | 78.8 Ų | 78.8 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 174.9 | -168.2 | -176.9 | 177.2 | 0 | 0 | 111.7 | N298 S299 L300 R304 Y305 R306 | N298-E302 PolarHBondContact O-N 2.88Å; S299-E302 PolarHBondContact O-N 2.84Å; L300-E302 VanDerWaalsContact C-N 3.29Å; L300-E302 PolarHBondContact O-N 2.86Å; E302-R304 VanDerWaalsContact C-N 3.35Å; E302-R304 PolarHBondContact O-N 3.32Å; E302-Y305 PolarHBondContact O-N 3.46Å; E302-R306 WeakPolarHBondContact O-CG 3.4Å; E302-R306 PolarHBondContact O-N 3.47Å; E302-R306 IonicContact OE1-CZ 2.73Å; E302-R306 VanDerWaalsContact OE1-CZ 3.27Å; E302-R306 IonicContact OE1-NE 3.42Å; E302-R306 PolarHBondContact OE1-NE 3.44Å; E302-R306 IonicContact OE1-NH2 3.31Å; E302-R306 PolarHBondContact OE1-NH2 2.91Å |
| 303 | M | 78.6 | Confident | 75.4 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 175.7 | -168.6 | -179.8 | -59.8 | 0 | 0 | 111.6 | S299 L300 Y305 R306 D307 V350 | S299-M303 PolarHBondContact O-N 3.48Å; L300-M303 PolarHBondContact O-N 3.25Å; M303-Y305 VanDerWaalsContact C-N 3.34Å; M303-Y305 PolarHBondContact O-N 3.09Å; M303-R306 PolarHBondContact O-N 2.94Å; M303-R306 VanDerWaalsContact O-N 3.16Å; M303-D307 PolarHBondContact O-N 3Å; M303-V350 HydrophobicContact CG-CG2 4.14Å; M303-V350 HydrophobicContact SD-CG2 3.69Å |
| 304 | R | 75.8 | Confident | 75 | Confident | 94 Ų | 94 | 79 Ų | 79 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.4 | -49.9 | 174.9 | -176.7 | -178.3 | 71.4 | 170.5 | 5.6 | 111.6 | L300 K301 E302 D307 M308 Y347 V350 N351 I354 | L300-R304 WeakPolarHBondContact O-CB 3.38Å; L300-R304 PolarHBondContact O-N 3.49Å; K301-R304 WeakPolarHBondContact O-CB 3.23Å; E302-R304 VanDerWaalsContact C-N 3.35Å; E302-R304 PolarHBondContact O-N 3.32Å; R304-D307 PolarHBondContact O-N 3.25Å; R304-M308 WeakPolarHBondContact O-CB 3.43Å; R304-M308 PolarHBondContact O-N 2.88Å; R304-Y347 HydrophobicContact CG-CD2 3.7Å; R304-Y347 HydrophobicContact CG-CE2 3.46Å; R304-Y347 VanDerWaalsContact CG-CE2 3.46Å; R304-V350 HydrophobicContact CB-CG1 3.85Å; R304-N351 WeakPolarHBondContact CD-OD1 3.48Å; R304-I354 HydrophobicContact CB-CD1 4.37Å |
| 305 | Y | 73.9 | Confident | 74.5 | Confident | 143 Ų | 143 | 78 Ų | 78 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 178.4 | -179.8 | -99.4 | 0 | 0 | 0 | 111.7 | K301 E302 M303 M308 M309 | K301-Y305 PolarHBondContact O-N 2.88Å; K301-Y305 VanDerWaalsContact O-N 3.16Å; E302-Y305 PolarHBondContact O-N 3.46Å; M303-Y305 VanDerWaalsContact C-N 3.34Å; M303-Y305 PolarHBondContact O-N 3.09Å; Y305-M308 HydrophobicContact CD2-CE 3.89Å; Y305-M308 HydrophobicContact CE2-CE 4.14Å; Y305-M308 PolarHBondContact O-N 3.42Å; Y305-M309 HydrophobicContact CD1-CG 4.29Å; Y305-M309 HydrophobicContact CE1-CG 3.91Å; Y305-M309 HydrophobicContact CE2-CG 4.25Å; Y305-M309 HydrophobicContact CE2-SD 4.49Å; Y305-M309 WeakPolarHBondContact O-CB 3.49Å; Y305-M309 VanDerWaalsContact O-CG 3.29Å; Y305-M309 WeakPolarHBondContact O-CG 3.49Å; Y305-M309 PolarHBondContact O-N 3.47Å |
| 306 | R | 78.6 | Confident | 73.6 | Confident | 124 Ų | 124 | 73.4 Ų | 73.4 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 178.5 | -70.5 | 175.3 | -178.3 | -161.7 | 2.1 | 112.2 | E302 M303 M309 R310 | E302-R306 WeakPolarHBondContact O-CG 3.4Å; E302-R306 PolarHBondContact O-N 3.47Å; E302-R306 IonicContact OE1-CZ 2.73Å; E302-R306 VanDerWaalsContact OE1-CZ 3.27Å; E302-R306 IonicContact OE1-NE 3.42Å; E302-R306 PolarHBondContact OE1-NE 3.44Å; E302-R306 IonicContact OE1-NH2 3.31Å; E302-R306 PolarHBondContact OE1-NH2 2.91Å; M303-R306 PolarHBondContact O-N 2.94Å; M303-R306 VanDerWaalsContact O-N 3.16Å; R306-M309 PolarHBondContact O-N 2.89Å; R306-R310 WeakPolarHBondContact O-CG 3.21Å; R306-R310 PolarHBondContact O-N 3.2Å |
| 307 | D | 73.5 | Confident | 72.7 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.011 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.3 | -36.4 | -178.9 | -73.9 | -31.1 | 0 | 0 | 0 | 112.5 | M303 R304 M309 R310 S311 R346 | M303-D307 PolarHBondContact O-N 3Å; R304-D307 PolarHBondContact O-N 3.25Å; D307-M309 PolarHBondContact O-N 3.29Å; D307-R310 PolarHBondContact O-N 3.48Å; D307-R310 IonicContact OD1-CZ 3.06Å; D307-R310 IonicContact OD1-NH1 3.82Å; D307-R310 PolarHBondContact OD1-NH1 3.24Å; D307-S311 PolarHBondContact O-N 3.37Å; D307-R346 HydrophobicContact CB-CB 4.33Å; D307-R346 WeakPolarHBondContact OD2-CB 3.5Å |
| 308 | M | 71.5 | Confident | 71.8 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.7 | -48.4 | 169 | -177 | -174 | 71.7 | 0 | 0 | 111.2 | R304 Y305 R310 S311 Y312 Y347 | R304-M308 WeakPolarHBondContact O-CB 3.43Å; R304-M308 PolarHBondContact O-N 2.88Å; Y305-M308 HydrophobicContact CD2-CE 3.89Å; Y305-M308 HydrophobicContact CE2-CE 4.14Å; Y305-M308 PolarHBondContact O-N 3.42Å; M308-R310 VanDerWaalsContact C-N 3.35Å; M308-R310 PolarHBondContact O-N 2.87Å; M308-S311 WeakPolarHBondContact O-CB 3.21Å; M308-S311 PolarHBondContact O-N 3.31Å; M308-Y312 PolarHBondContact O-N 3.08Å; M308-Y347 HydrophobicContact CB-CD2 4.25Å; M308-Y347 HydrophobicContact CB-CE2 4.39Å |
| 309 | M | 73.6 | Confident | 70.7 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 178.3 | -72.4 | -57.7 | -63.8 | 0 | 0 | 112.6 | Y305 R306 D307 Y312 Q313 | Y305-M309 HydrophobicContact CD1-CG 4.29Å; Y305-M309 HydrophobicContact CE1-CG 3.91Å; Y305-M309 HydrophobicContact CE2-CG 4.25Å; Y305-M309 HydrophobicContact CE2-SD 4.49Å; Y305-M309 WeakPolarHBondContact O-CB 3.49Å; Y305-M309 VanDerWaalsContact O-CG 3.29Å; Y305-M309 WeakPolarHBondContact O-CG 3.49Å; Y305-M309 PolarHBondContact O-N 3.47Å; R306-M309 PolarHBondContact O-N 2.89Å; D307-M309 PolarHBondContact O-N 3.29Å; M309-Y312 PolarHBondContact O-N 2.6Å; M309-Q313 WeakPolarHBondContact O-CB 3.33Å; M309-Q313 WeakPolarHBondContact O-CG 3.5Å; M309-Q313 PolarHBondContact O-N 3.07Å |
| 310 | R | 73.8 | Confident | 69.5 | Low | 116 Ų | 116 | 78.1 Ų | 78.1 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 174.2 | -74.6 | 174.7 | -175.2 | 142.9 | -2.1 | 112.3 | R306 D307 M308 Q313 S314 A343 | R306-R310 WeakPolarHBondContact O-CG 3.21Å; R306-R310 PolarHBondContact O-N 3.2Å; D307-R310 PolarHBondContact O-N 3.48Å; D307-R310 IonicContact OD1-CZ 3.06Å; D307-R310 IonicContact OD1-NH1 3.82Å; D307-R310 PolarHBondContact OD1-NH1 3.24Å; M308-R310 VanDerWaalsContact C-N 3.35Å; M308-R310 PolarHBondContact O-N 2.87Å; R310-Q313 PolarHBondContact O-N 2.86Å; R310-S314 VanDerWaalsContact O-CB 3.29Å; R310-S314 WeakPolarHBondContact O-CB 3.45Å; R310-S314 PolarHBondContact O-N 2.9Å; R310-A343 HydrophobicContact CB-CB 4.41Å |
| 311 | S | 67.6 | Low | 68.1 | Low | 25 Ų | 25 | 80.9 Ų | 80.9 | 18% | 0.175 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 175.9 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | D307 M308 Q313 S314 L315 | D307-S311 PolarHBondContact O-N 3.37Å; M308-S311 WeakPolarHBondContact O-CB 3.21Å; M308-S311 PolarHBondContact O-N 3.31Å; S311-Q313 PolarHBondContact O-N 2.78Å; S311-S314 PolarHBondContact O-N 3.12Å; S311-L315 WeakPolarHBondContact O-CB 3.29Å; S311-L315 WeakPolarHBondContact O-CG 3.38Å; S311-L315 PolarHBondContact O-N 2.59Å |
| 312 | Y | 63.9 | Low | 66.6 | Low | 154 Ų | 154 | 83.5 Ų | 83.5 | 60% | 0.604 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.4 | -48.2 | 176.3 | -179.5 | -92.8 | 0 | 0 | 0 | 112.1 | M308 M309 S314 L315 S316 | M308-Y312 PolarHBondContact O-N 3.08Å; M309-Y312 PolarHBondContact O-N 2.6Å; Y312-S314 VanDerWaalsContact C-N 3.35Å; Y312-S314 PolarHBondContact O-N 3.46Å; Y312-L315 PolarHBondContact O-N 2.68Å; Y312-S316 VanDerWaalsContact O-CB 3.25Å; Y312-S316 WeakPolarHBondContact O-CB 3.04Å; Y312-S316 PolarHBondContact O-N 3.01Å |
| 313 | Q | 69.9 | Low | 65.1 | Low | 112 Ų | 112 | 85.3 Ų | 85.3 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 176.7 | -77.3 | 172.7 | -6.9 | 0 | 0 | 110.8 | M309 R310 S311 L315 S316 T317 | M309-Q313 WeakPolarHBondContact O-CB 3.33Å; M309-Q313 WeakPolarHBondContact O-CG 3.5Å; M309-Q313 PolarHBondContact O-N 3.07Å; R310-Q313 PolarHBondContact O-N 2.86Å; S311-Q313 PolarHBondContact O-N 2.78Å; Q313-L315 VanDerWaalsContact C-N 3.33Å; Q313-L315 PolarHBondContact O-N 2.84Å; Q313-S316 WeakPolarHBondContact O-CB 3.48Å; Q313-S316 PolarHBondContact O-N 3.09Å; Q313-S316 VanDerWaalsContact O-N 3.16Å; Q313-T317 PolarHBondContact O-N 3.37Å; Q313-T317 PolarHBondContact O-OG1 2.85Å |
| 314 | S | 65.6 | Low | 63.5 | Low | 15 Ų | 15 | 86.2 Ų | 86.2 | 11% | 0.105 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | -180 | -171.8 | 0 | 0 | 0 | 0 | 112.9 | R310 S311 Y312 R318 A336 | R310-S314 VanDerWaalsContact O-CB 3.29Å; R310-S314 WeakPolarHBondContact O-CB 3.45Å; R310-S314 PolarHBondContact O-N 2.9Å; S311-S314 PolarHBondContact O-N 3.12Å; Y312-S314 VanDerWaalsContact C-N 3.35Å; Y312-S314 PolarHBondContact O-N 3.46Å; S314-R318 WeakPolarHBondContact O-CG 3.34Å; S314-R318 PolarHBondContact O-N 2.83Å; S314-A336 PolarHBondContact OG-O 3.42Å |
| 315 | L | 64.1 | Low | 61.9 | Low | 69 Ų | 69 | 85 Ų | 85 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 174.1 | -71.3 | 167.6 | 0 | 0 | 0 | 111.9 | S311 Y312 Q313 T317 R318 I319 A340 | S311-L315 WeakPolarHBondContact O-CB 3.29Å; S311-L315 WeakPolarHBondContact O-CG 3.38Å; S311-L315 PolarHBondContact O-N 2.59Å; Y312-L315 PolarHBondContact O-N 2.68Å; Q313-L315 VanDerWaalsContact C-N 3.33Å; Q313-L315 PolarHBondContact O-N 2.84Å; L315-T317 PolarHBondContact O-N 3.08Å; L315-R318 WeakPolarHBondContact O-CB 3.33Å; L315-R318 PolarHBondContact O-N 3.44Å; L315-R318 VanDerWaalsContact O-N 3.14Å; L315-I319 PolarHBondContact O-N 3.11Å; L315-I319 VanDerWaalsContact O-N 3.1Å; L315-A340 HydrophobicContact CD2-CB 4.28Å; L315-A340 HydrophobicContact CG-CB 4.19Å |
| 316 | S | 60.2 | Low | 60.4 | Low | 40 Ų | 40 | 83.4 Ų | 83.4 | 28% | 0.28 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | Y312 Q313 R318 I319 H320 | Y312-S316 VanDerWaalsContact O-CB 3.25Å; Y312-S316 WeakPolarHBondContact O-CB 3.04Å; Y312-S316 PolarHBondContact O-N 3.01Å; Q313-S316 WeakPolarHBondContact O-CB 3.48Å; Q313-S316 PolarHBondContact O-N 3.09Å; Q313-S316 VanDerWaalsContact O-N 3.16Å; S316-R318 VanDerWaalsContact C-N 3.25Å; S316-R318 PolarHBondContact O-N 3.4Å; S316-I319 PolarHBondContact O-N 3.12Å; S316-H320 PolarHBondContact O-N 2.87Å |
| 317 | T | 60.1 | Low | 58.6 | Low | 71 Ų | 71 | 84.7 Ų | 84.7 | 44% | 0.436 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 174.2 | -35.3 | 0 | 0 | 0 | 0 | 110.2 | Q313 L315 I319 H320 D321 | Q313-T317 PolarHBondContact O-N 3.37Å; Q313-T317 PolarHBondContact O-OG1 2.85Å; L315-T317 PolarHBondContact O-N 3.08Å; T317-I319 PolarHBondContact O-N 3.34Å; T317-H320 PolarHBondContact O-N 2.83Å; T317-D321 WeakPolarHBondContact O-CB 3.36Å; T317-D321 PolarHBondContact O-N 2.92Å |
| 318 | R | 59.6 | Low | 57.2 | Low | 52 Ų | 52 | 92 Ų | 92 | 20% | 0.196 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.8 | -62.5 | -170.1 | -148.8 | 153.8 | 16.2 | 113.1 | S314 L315 S316 H320 F322 A336 R337 | S314-R318 WeakPolarHBondContact O-CG 3.34Å; S314-R318 PolarHBondContact O-N 2.83Å; L315-R318 WeakPolarHBondContact O-CB 3.33Å; L315-R318 PolarHBondContact O-N 3.44Å; L315-R318 VanDerWaalsContact O-N 3.14Å; S316-R318 VanDerWaalsContact C-N 3.25Å; S316-R318 PolarHBondContact O-N 3.4Å; R318-H320 VanDerWaalsContact C-N 3.29Å; R318-F322 WeakPolarHBondContact O-CB 3.4Å; R318-F322 PolarHBondContact O-N 2.82Å; R318-A336 HydrophobicContact CG-CB 3.73Å; R318-A336 PolarHBondContact NH2-O 2.86Å; R318-R337 VanDerWaalsContact CZ-CG 3.42Å |
| 319 | I | 55.9 | Low | 56.2 | Low | 104 Ų | 104 | 89.2 Ų | 89.2 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 179.3 | -66.7 | 170.3 | 0 | 0 | 0 | 108.9 | L315 S316 T317 F322 H323 | L315-I319 PolarHBondContact O-N 3.11Å; L315-I319 VanDerWaalsContact O-N 3.1Å; S316-I319 PolarHBondContact O-N 3.12Å; T317-I319 PolarHBondContact O-N 3.34Å; I319-F322 PolarHBondContact O-N 3.26Å; I319-H323 PolarHBondContact O-CD2 3.28Å; I319-H323 PolarHBondContact O-N 3.47Å |
| 320 | H | 55.2 | Low | 55.5 | Low | 113 Ų | 113 | 89.2 Ų | 89.2 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -47.9 | 178.5 | -162.5 | 48.5 | 0 | 0 | 0 | 112.4 | S316 T317 R318 F322 H323 V324 | S316-H320 PolarHBondContact O-N 2.87Å; T317-H320 PolarHBondContact O-N 2.83Å; R318-H320 VanDerWaalsContact C-N 3.29Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 2.89Å; H320-H323 PolarHBondContact O-N 3.16Å; H320-H323 VanDerWaalsContact O-N 3.11Å; H320-V324 WeakPolarHBondContact O-CB 3.43Å; H320-V324 WeakPolarHBondContact O-CG2 3.37Å; H320-V324 PolarHBondContact O-N 3.4Å |
| 321 | D | 49.8 | Very low | 55 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 34% | 0.337 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | 178.5 | -65.1 | -19.9 | 0 | 0 | 0 | 111.8 | T317 S325 | T317-D321 WeakPolarHBondContact O-CB 3.36Å; T317-D321 PolarHBondContact O-N 2.92Å; D321-S325 CarbonylContact O-C 3.56Å; D321-S325 WeakPolarHBondContact O-CA 3.47Å; D321-S325 WeakPolarHBondContact O-CB 3.45Å; D321-S325 PolarHBondContact O-N 3.06Å |
| 322 | F | 48.4 | Very low | 54.8 | Low | 125 Ų | 125 | 91.2 Ų | 91.2 | 55% | 0.548 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 173.5 | -177 | -95.4 | 0 | 0 | 0 | 111.9 | R318 I319 H320 H462 | R318-F322 WeakPolarHBondContact O-CB 3.4Å; R318-F322 PolarHBondContact O-N 2.82Å; I319-F322 PolarHBondContact O-N 3.26Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 2.89Å; F322-H462 AromaticContact CE2-CE1 3.92Å |
| 323 | H | 46.9 | Very low | 55 | Low | 143 Ų | 143 | 85.5 Ų | 85.5 | 66% | 0.662 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -76.3 | -33 | 178.8 | -81.6 | -64.5 | 0 | 0 | 0 | 113.5 | I319 H320 | I319-H323 PolarHBondContact O-CD2 3.28Å; I319-H323 PolarHBondContact O-N 3.47Å; H320-H323 PolarHBondContact O-N 3.16Å; H320-H323 VanDerWaalsContact O-N 3.11Å |
| 324 | V | 46.6 | Very low | 55.2 | Low | 96 Ų | 96 | 80.2 Ų | 80.2 | 58% | 0.582 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -91.3 | -32.5 | -174.9 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | H320 | H320-V324 WeakPolarHBondContact O-CB 3.43Å; H320-V324 WeakPolarHBondContact O-CG2 3.37Å; H320-V324 PolarHBondContact O-N 3.4Å |
| 325 | S | 41.5 | Very low | 55.6 | Low | 68 Ų | 68 | 81.7 Ų | 81.7 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | trans | -131.4 | 76.8 | -169.8 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | D321 L327 | D321-S325 CarbonylContact O-C 3.56Å; D321-S325 WeakPolarHBondContact O-CA 3.47Å; D321-S325 WeakPolarHBondContact O-CB 3.45Å; D321-S325 PolarHBondContact O-N 3.06Å; S325-L327 PolarHBondContact O-N 2.98Å | ||
| 326 | C | 41.5 | Very low | 55.8 | Low | 109 Ų | 109 | 79.1 Ų | 79.1 | 74% | 0.736 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -54.2 | 111.5 | 157.1 | -66.5 | 0 | 0 | 0 | 0 | 108 | ||
| 327 | L | 42.2 | Very low | 56.3 | Low | 152 Ų | 152 | 77.7 Ų | 77.7 | 80% | 0.796 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 105.9 | -1.4 | 151.9 | -61.4 | 155 | 0 | 0 | 0 | 122.6 | S325 | S325-L327 PolarHBondContact O-N 2.98Š|
| 328 | N | 42.9 | Very low | 57.2 | Low | 156 Ų | 156 | 74.4 Ų | 74.4 | 83% | 0.834 | 41% | 0.406 | S | S | * | . | trans | -127 | -5.3 | -176.6 | -75.6 | -26.8 | 0 | 0 | 0 | 119.3 | L330 | N328-L330 PolarHBondContact O-N 3.37Š| ||
| 329 | G | 50.5 | Low | 58.1 | Low | 28 Ų | 28 | 76.4 Ų | 76.4 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | trans | -94.7 | 37.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | T331 E332 N333 | G329-T331 VanDerWaalsContact C-N 3.27Å; G329-T331 PolarHBondContact O-N 3.49Å; G329-T331 VanDerWaalsContact O-N 3.15Å; G329-E332 PolarHBondContact O-N 2.89Å; G329-E332 VanDerWaalsContact O-N 3.17Å; G329-N333 WeakPolarHBondContact O-CB 3.26Å; G329-N333 PolarHBondContact O-N 3.31Å | ||
| 330 | L | 59.5 | Low | 58.8 | Low | 62 Ų | 62 | 71.9 Ų | 71.9 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -54 | -37.4 | -171.5 | -88.6 | 143 | 0 | 0 | 0 | 114.2 | N328 I334 K400 N456 | N328-L330 PolarHBondContact O-N 3.37Å; L330-I334 WeakPolarHBondContact O-CD1 3.34Å; L330-I334 WeakPolarHBondContact O-CG1 3.29Å; L330-I334 PolarHBondContact O-N 2.92Å; L330-K400 HydrophobicContact CB-CD 4.12Å; L330-K400 HydrophobicContact CD1-CD 4.38Å; L330-K400 HydrophobicContact CD2-CD 3.81Å; L330-K400 HydrophobicContact CD2-CG 4.23Å; L330-K400 HydrophobicContact CG-CD 4.32Å; L330-N456 HydrophobicContact CD2-CB 4.16Å; L330-N456 WeakPolarHBondContact CD2-ND2 3.36Å |
| 331 | T | 63.3 | Low | 59.9 | Low | 59 Ų | 59 | 67.4 Ų | 67.4 | 36% | 0.362 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -79.4 | -39.6 | 178.7 | 44.3 | 0 | 0 | 0 | 0 | 112.7 | G329 N333 I334 A335 Y420 | G329-T331 VanDerWaalsContact C-N 3.27Å; G329-T331 PolarHBondContact O-N 3.49Å; G329-T331 VanDerWaalsContact O-N 3.15Å; T331-N333 VanDerWaalsContact C-N 3.33Å; T331-N333 PolarHBondContact O-N 2.98Å; T331-I334 PolarHBondContact O-N 3.42Å; T331-A335 WeakPolarHBondContact O-CB 3.41Å; T331-A335 PolarHBondContact O-N 2.77Å; T331-Y420 HydrophobicContact CG2-CE1 4.16Å; T331-Y420 PolarHBondContact O-OH 2.87Å |
| 332 | E | 62.8 | Low | 61.5 | Low | 125 Ų | 125 | 64.7 Ų | 64.7 | 58% | 0.584 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.5 | -39 | 178.5 | -68.6 | 170.6 | 172.4 | 0 | 0 | 110.9 | G329 I334 A335 A336 | G329-E332 PolarHBondContact O-N 2.89Å; G329-E332 VanDerWaalsContact O-N 3.17Å; E332-I334 PolarHBondContact O-N 3.45Å; E332-A335 PolarHBondContact O-N 3.49Å; E332-A336 WeakPolarHBondContact O-CB 3.37Å; E332-A336 PolarHBondContact O-N 2.97Å |
| 333 | N | 69 | Low | 62.7 | Low | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.4 | -165.6 | -38.6 | 0 | 0 | 0 | 111.5 | G329 T331 A336 R337 | G329-N333 WeakPolarHBondContact O-CB 3.26Å; G329-N333 PolarHBondContact O-N 3.31Å; T331-N333 VanDerWaalsContact C-N 3.33Å; T331-N333 PolarHBondContact O-N 2.98Å; N333-A336 PolarHBondContact O-N 3.47Å; N333-R337 WeakPolarHBondContact O-CB 2.99Å; N333-R337 VanDerWaalsContact O-CG 3.23Å; N333-R337 WeakPolarHBondContact O-CG 3.34Å; N333-R337 PolarHBondContact O-N 3.02Å; N333-R337 PolarHBondContact OD1-NE 2.94Å; N333-R337 PolarHBondContact OD1-NH2 3.16Å |
| 334 | I | 73.5 | Confident | 64 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 176.4 | -72.7 | 169.6 | 0 | 0 | 0 | 111.3 | L330 T331 E332 R337 A338 K400 A402 V418 Y420 M454 | L330-I334 WeakPolarHBondContact O-CD1 3.34Å; L330-I334 WeakPolarHBondContact O-CG1 3.29Å; L330-I334 PolarHBondContact O-N 2.92Å; T331-I334 PolarHBondContact O-N 3.42Å; E332-I334 PolarHBondContact O-N 3.45Å; I334-R337 WeakPolarHBondContact O-CA 3.37Å; I334-R337 WeakPolarHBondContact O-CB 2.91Å; I334-R337 PolarHBondContact O-N 2.89Å; I334-R337 VanDerWaalsContact O-N 3.15Å; I334-A338 PolarHBondContact O-N 3.37Å; I334-K400 HydrophobicContact CD1-CB 4.34Å; I334-A402 HydrophobicContact CD1-CB 4.17Å; I334-A402 HydrophobicContact CG2-CB 3.51Å; I334-V418 HydrophobicContact CG2-CG1 3.85Å; I334-Y420 HydrophobicContact CB-CE1 4.06Å; I334-Y420 HydrophobicContact CD1-CD1 4.19Å; I334-Y420 HydrophobicContact CD1-CE1 3.62Å; I334-Y420 HydrophobicContact CG1-CE1 4.43Å; I334-Y420 HydrophobicContact CG2-CE1 3.78Å; I334-M454 HydrophobicContact CG2-CE 4.01Å; I334-M454 HydrophobicContact CG2-SD 4.38Å |
| 335 | A | 75.1 | Confident | 65.6 | Low | 46 Ų | 46 | 48.9 Ų | 48.9 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T331 E332 R337 A338 M339 | T331-A335 WeakPolarHBondContact O-CB 3.41Å; T331-A335 PolarHBondContact O-N 2.77Å; E332-A335 PolarHBondContact O-N 3.49Å; A335-R337 VanDerWaalsContact C-N 3.26Å; A335-R337 PolarHBondContact O-N 3.22Å; A335-A338 PolarHBondContact O-N 3.35Å; A335-M339 WeakPolarHBondContact O-CG 3.26Å; A335-M339 PolarHBondContact O-N 3.31Å |
| 336 | A | 66.7 | Low | 67.5 | Low | 15 Ų | 15 | 48.9 Ų | 48.9 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -31.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S314 R318 E332 N333 A340 | S314-A336 PolarHBondContact OG-O 3.42Å; R318-A336 HydrophobicContact CG-CB 3.73Å; R318-A336 PolarHBondContact NH2-O 2.86Å; E332-A336 WeakPolarHBondContact O-CB 3.37Å; E332-A336 PolarHBondContact O-N 2.97Å; N333-A336 PolarHBondContact O-N 3.47Å; A336-A340 WeakPolarHBondContact O-CB 3.35Å; A336-A340 PolarHBondContact O-N 2.9Å; A336-A340 VanDerWaalsContact O-N 3.09Å |
| 337 | R | 71 | Confident | 69.2 | Low | 10 Ų | 10 | 46.7 Ų | 46.7 | 4% | 0.038 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -50.5 | 170.5 | -75.4 | 175.7 | -164.5 | -168.4 | 12.7 | 112.6 | R318 N333 I334 A335 M339 A340 L341 M454 V455 N456 H462 | R318-R337 VanDerWaalsContact CZ-CG 3.42Å; N333-R337 WeakPolarHBondContact O-CB 2.99Å; N333-R337 VanDerWaalsContact O-CG 3.23Å; N333-R337 WeakPolarHBondContact O-CG 3.34Å; N333-R337 PolarHBondContact O-N 3.02Å; N333-R337 PolarHBondContact OD1-NE 2.94Å; N333-R337 PolarHBondContact OD1-NH2 3.16Å; I334-R337 WeakPolarHBondContact O-CA 3.37Å; I334-R337 WeakPolarHBondContact O-CB 2.91Å; I334-R337 PolarHBondContact O-N 2.89Å; I334-R337 VanDerWaalsContact O-N 3.15Å; A335-R337 VanDerWaalsContact C-N 3.26Å; A335-R337 PolarHBondContact O-N 3.22Å; R337-M339 VanDerWaalsContact C-N 3.33Å; R337-M339 PolarHBondContact O-N 3.29Å; R337-A340 PolarHBondContact O-N 3.49Å; R337-L341 WeakPolarHBondContact O-CB 3.38Å; R337-L341 PolarHBondContact O-N 3.39Å; R337-M454 HydrophobicContact CB-SD 3.61Å; R337-V455 PolarHBondContact NH1-O 3.48Å; R337-V455 VanDerWaalsContact NH1-O 3.11Å; R337-N456 PolarHBondContact NH2-OD1 2.85Å; R337-N456 VanDerWaalsContact NH2-OD1 3.12Å; R337-H462 PolarHBondContact NH2-CD2 3.31Å; R337-H462 PolarHBondContact NH2-NE2 3.07Å |
| 338 | A | 79.4 | Confident | 71 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I334 A335 L341 I342 I404 V418 M454 | I334-A338 PolarHBondContact O-N 3.37Å; A335-A338 PolarHBondContact O-N 3.35Å; A338-L341 WeakPolarHBondContact O-CB 3.37Å; A338-L341 PolarHBondContact O-N 2.87Å; A338-I342 WeakPolarHBondContact O-CD1 3.21Å; A338-I342 VanDerWaalsContact O-CG1 3.26Å; A338-I342 WeakPolarHBondContact O-CG1 3.29Å; A338-I342 PolarHBondContact O-N 2.88Å; A338-I404 HydrophobicContact CB-CD1 4.23Å; A338-V418 HydrophobicContact CB-CG2 3.48Å; A338-V418 VanDerWaalsContact CB-CG2 3.48Å; A338-M454 HydrophobicContact CB-CE 4.07Å; A338-M454 HydrophobicContact CB-SD 4.34Å |
| 339 | M | 78.3 | Confident | 72.7 | Confident | 93 Ų | 93 | 37.9 Ų | 37.9 | 46% | 0.458 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -43.2 | -178.6 | -70.8 | -53.9 | -60 | 0 | 0 | 113.2 | A335 R337 L341 I342 A343 | A335-M339 WeakPolarHBondContact O-CG 3.26Å; A335-M339 PolarHBondContact O-N 3.31Å; R337-M339 VanDerWaalsContact C-N 3.33Å; R337-M339 PolarHBondContact O-N 3.29Å; M339-L341 VanDerWaalsContact C-N 3.3Å; M339-L341 PolarHBondContact O-N 3.5Å; M339-I342 PolarHBondContact O-N 2.99Å; M339-I342 HydrophobicContact SD-CD1 4.2Å; M339-A343 WeakPolarHBondContact O-CB 3.48Å; M339-A343 PolarHBondContact O-N 2.92Å |
| 340 | A | 71.6 | Confident | 74.1 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L315 A336 R337 A343 G344 | L315-A340 HydrophobicContact CD2-CB 4.28Å; L315-A340 HydrophobicContact CG-CB 4.19Å; A336-A340 WeakPolarHBondContact O-CB 3.35Å; A336-A340 PolarHBondContact O-N 2.9Å; A336-A340 VanDerWaalsContact O-N 3.09Å; R337-A340 PolarHBondContact O-N 3.49Å; A340-A343 PolarHBondContact O-N 2.8Å; A340-G344 PolarHBondContact O-N 2.91Å |
| 341 | L | 78.1 | Confident | 75.1 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 10% | 0.099 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -50.3 | 174.7 | 179.9 | 144.5 | 0 | 0 | 0 | 110.9 | R337 A338 M339 A343 G344 E345 V406 Y452 F466 | R337-L341 WeakPolarHBondContact O-CB 3.38Å; R337-L341 PolarHBondContact O-N 3.39Å; A338-L341 WeakPolarHBondContact O-CB 3.37Å; A338-L341 PolarHBondContact O-N 2.87Å; M339-L341 VanDerWaalsContact C-N 3.3Å; M339-L341 PolarHBondContact O-N 3.5Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A343 PolarHBondContact O-N 3.06Å; L341-G344 PolarHBondContact O-N 2.73Å; L341-E345 HydrophobicContact CD2-CG 4.36Å; L341-E345 WeakPolarHBondContact O-CG 2.87Å; L341-E345 PolarHBondContact O-N 3.13Å; L341-V406 HydrophobicContact CD2-CG2 4.11Å; L341-Y452 HydrophobicContact CD1-CD1 3.55Å; L341-Y452 HydrophobicContact CD1-CD2 4.37Å; L341-Y452 HydrophobicContact CD1-CE1 3.95Å; L341-Y452 HydrophobicContact CD1-CG 3.75Å; L341-Y452 HydrophobicContact CD2-CD1 4.46Å; L341-Y452 HydrophobicContact CD2-CD2 3.93Å; L341-Y452 HydrophobicContact CD2-CE1 4.49Å; L341-Y452 HydrophobicContact CD2-CE2 4.01Å; L341-Y452 HydrophobicContact CD2-CG 4.15Å; L341-Y452 HydrophobicContact CG-CD1 4.46Å; L341-Y452 HydrophobicContact CG-CE1 4.48Å; L341-F466 HydrophobicContact CD1-CD1 3.84Å; L341-F466 HydrophobicContact CD1-CE1 3.7Å |
| 342 | I | 82.3 | Confident | 75.9 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.7 | -66.9 | 156.5 | 0 | 0 | 0 | 110.8 | A338 M339 G344 E345 R346 I404 W415 | A338-I342 WeakPolarHBondContact O-CD1 3.21Å; A338-I342 VanDerWaalsContact O-CG1 3.26Å; A338-I342 WeakPolarHBondContact O-CG1 3.29Å; A338-I342 PolarHBondContact O-N 2.88Å; M339-I342 PolarHBondContact O-N 2.99Å; M339-I342 HydrophobicContact SD-CD1 4.2Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 2.93Å; I342-E345 PolarHBondContact O-N 3.43Å; I342-R346 WeakPolarHBondContact O-CG 3.4Å; I342-R346 PolarHBondContact O-N 2.83Å; I342-I404 HydrophobicContact CD1-CD1 3.88Å; I342-I404 HydrophobicContact CG1-CD1 4.25Å; I342-W415 HydrophobicContact CD1-CB 4.4Å; I342-W415 VanDerWaalsContact CD1-CD1 3.47Å; I342-W415 HydrophobicContact CD1-CD2 3.79Å; I342-W415 HydrophobicContact CD1-CG 3.63Å; I342-W415 HydrophobicContact CG1-CB 4.32Å; I342-W415 HydrophobicContact CG1-CD2 4.03Å; I342-W415 HydrophobicContact CG1-CE3 4.44Å; I342-W415 HydrophobicContact CG1-CG 3.94Å; I342-W415 HydrophobicContact CG2-CD2 3.81Å; I342-W415 HydrophobicContact CG2-CE3 3.5Å; I342-W415 HydrophobicContact CG2-CH2 3.93Å; I342-W415 HydrophobicContact CG2-CZ2 4.2Å; I342-W415 HydrophobicContact CG2-CZ3 3.57Å |
| 343 | A | 73.3 | Confident | 76.7 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | R310 M339 A340 L341 R346 Y347 | R310-A343 HydrophobicContact CB-CB 4.41Å; M339-A343 WeakPolarHBondContact O-CB 3.48Å; M339-A343 PolarHBondContact O-N 2.92Å; A340-A343 PolarHBondContact O-N 2.8Å; L341-A343 VanDerWaalsContact C-N 3.33Å; L341-A343 PolarHBondContact O-N 3.06Å; A343-R346 PolarHBondContact O-N 3.29Å; A343-Y347 WeakPolarHBondContact O-CB 3.49Å; A343-Y347 PolarHBondContact O-N 2.8Å |
| 344 | G | 75.1 | Confident | 77.1 | Confident | 21 Ų | 21 | 31 Ų | 31 | 22% | 0.216 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | A340 L341 I342 Y347 R348 | A340-G344 PolarHBondContact O-N 2.91Å; L341-G344 PolarHBondContact O-N 2.73Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 2.93Å; G344-Y347 PolarHBondContact O-N 2.86Å; G344-R348 WeakPolarHBondContact O-CG 3.38Å; G344-R348 PolarHBondContact O-N 2.81Å; G344-R348 VanDerWaalsContact O-N 3.08Å |
| 345 | E | 79.2 | Confident | 77.3 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | 174.8 | -66.5 | -51.3 | 162.5 | 0 | 0 | 112.5 | L341 I342 R348 C349 K408 V413 Y452 | L341-E345 HydrophobicContact CD2-CG 4.36Å; L341-E345 WeakPolarHBondContact O-CG 2.87Å; L341-E345 PolarHBondContact O-N 3.13Å; I342-E345 PolarHBondContact O-N 3.43Å; E345-R348 VanDerWaalsContact CD-NH2 3.25Å; E345-R348 PolarHBondContact O-N 2.78Å; E345-R348 IonicContact OE1-CZ 3.63Å; E345-R348 IonicContact OE1-NH2 2.68Å; E345-R348 PolarHBondContact OE1-NH2 3.42Å; E345-R348 IonicContact OE2-CZ 3.73Å; E345-R348 IonicContact OE2-NE 3.37Å; E345-R348 PolarHBondContact OE2-NE 3.06Å; E345-R348 IonicContact OE2-NH2 3.46Å; E345-R348 PolarHBondContact OE2-NH2 2.99Å; E345-C349 WeakPolarHBondContact O-CB 3.35Å; E345-C349 PolarHBondContact O-N 3.21Å; E345-C349 PolarHBondContact O-SG 2.76Å; E345-K408 HydrophobicContact CB-CD 4.49Å; E345-K408 IonicContact OE1-NZ 3.5Å; E345-K408 VanDerWaalsContact OE2-CE 3.29Å; E345-K408 WeakPolarHBondContact OE2-CE 3.39Å; E345-K408 IonicContact OE2-NZ 2.6Å; E345-K408 PolarHBondContact OE2-NZ 3.11Å; E345-V413 HydrophobicContact CB-CG1 4.27Å; E345-Y452 PolarHBondContact OE1-OH 2.97Å |
| 346 | R | 81.8 | Confident | 77.4 | Confident | 69 Ų | 69 | 39.6 Ų | 39.6 | 26% | 0.26 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.2 | -78.2 | -180 | 163.8 | -168.6 | -9.6 | 112.1 | D307 I342 A343 R348 C349 V350 V413 W415 | D307-R346 HydrophobicContact CB-CB 4.33Å; D307-R346 WeakPolarHBondContact OD2-CB 3.5Å; I342-R346 WeakPolarHBondContact O-CG 3.4Å; I342-R346 PolarHBondContact O-N 2.83Å; A343-R346 PolarHBondContact O-N 3.29Å; R346-R348 VanDerWaalsContact C-N 3.29Å; R346-R348 PolarHBondContact O-N 3.38Å; R346-C349 PolarHBondContact O-N 2.69Å; R346-V350 WeakPolarHBondContact O-CB 3.25Å; R346-V350 VanDerWaalsContact O-CG2 3.25Å; R346-V350 WeakPolarHBondContact O-CG2 3.37Å; R346-V350 PolarHBondContact O-N 3.16Å; R346-V413 HydrophobicContact CB-CG2 4.5Å; R346-V413 HydrophobicContact CG-CB 3.68Å; R346-V413 HydrophobicContact CG-CG1 4.21Å; R346-V413 HydrophobicContact CG-CG2 3.85Å; R346-W415 VanDerWaalsContact CZ-CH2 3.47Å; R346-W415 VanDerWaalsContact CZ-CZ3 3.42Å |
| 347 | Y | 78 | Confident | 77.8 | Confident | 62 Ų | 62 | 39.2 Ų | 39.2 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.8 | -44.6 | 177.2 | 177.3 | -94.5 | 0 | 0 | 0 | 111.8 | R304 M308 A343 G344 N351 | R304-Y347 HydrophobicContact CG-CD2 3.7Å; R304-Y347 HydrophobicContact CG-CE2 3.46Å; R304-Y347 VanDerWaalsContact CG-CE2 3.46Å; M308-Y347 HydrophobicContact CB-CD2 4.25Å; M308-Y347 HydrophobicContact CB-CE2 4.39Å; A343-Y347 WeakPolarHBondContact O-CB 3.49Å; A343-Y347 PolarHBondContact O-N 2.8Å; G344-Y347 PolarHBondContact O-N 2.86Å; Y347-N351 WeakPolarHBondContact CE1-ND2 3.46Å; Y347-N351 WeakPolarHBondContact O-CB 3.21Å; Y347-N351 PolarHBondContact O-N 2.83Å; Y347-N351 PolarHBondContact OH-ND2 3.14Å |
| 348 | R | 79 | Confident | 78.1 | Confident | 116 Ų | 116 | 43.2 Ų | 43.2 | 44% | 0.438 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.3 | -52.1 | 176.2 | -74.9 | -169.9 | -83.7 | -144.8 | -4.6 | 112.5 | G344 E345 R346 V350 N351 E352 | G344-R348 WeakPolarHBondContact O-CG 3.38Å; G344-R348 PolarHBondContact O-N 2.81Å; G344-R348 VanDerWaalsContact O-N 3.08Å; E345-R348 VanDerWaalsContact CD-NH2 3.25Å; E345-R348 PolarHBondContact O-N 2.78Å; E345-R348 IonicContact OE1-CZ 3.63Å; E345-R348 IonicContact OE1-NH2 2.68Å; E345-R348 PolarHBondContact OE1-NH2 3.42Å; E345-R348 IonicContact OE2-CZ 3.73Å; E345-R348 IonicContact OE2-NE 3.37Å; E345-R348 PolarHBondContact OE2-NE 3.06Å; E345-R348 IonicContact OE2-NH2 3.46Å; E345-R348 PolarHBondContact OE2-NH2 2.99Å; R346-R348 VanDerWaalsContact C-N 3.29Å; R346-R348 PolarHBondContact O-N 3.38Å; R348-V350 VanDerWaalsContact C-N 3.32Å; R348-V350 PolarHBondContact O-N 3.47Å; R348-N351 PolarHBondContact O-N 3.22Å; R348-N351 VanDerWaalsContact O-N 3.16Å; R348-E352 WeakPolarHBondContact O-CG 3.43Å; R348-E352 PolarHBondContact O-N 2.73Å |
| 349 | C | 80 | Confident | 77.8 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.054 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 178 | -78.3 | 0 | 0 | 0 | 0 | 112.7 | E345 R346 E352 E353 Q410 V413 | E345-C349 WeakPolarHBondContact O-CB 3.35Å; E345-C349 PolarHBondContact O-N 3.21Å; E345-C349 PolarHBondContact O-SG 2.76Å; R346-C349 PolarHBondContact O-N 2.69Å; C349-E352 PolarHBondContact O-N 3.39Å; C349-E353 WeakPolarHBondContact O-CB 3.38Å; C349-E353 PolarHBondContact O-N 3.27Å; C349-Q410 WeakPolarHBondContact CB-O 3.39Å; C349-V413 HydrophobicContact CB-CG2 3.87Å |
| 350 | V | 79 | Confident | 77.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L300 M303 R304 R346 R348 E353 I354 E411 | L300-V350 HydrophobicContact CB-CG1 4.16Å; L300-V350 HydrophobicContact CD2-CG1 4.18Å; L300-V350 HydrophobicContact CD2-CG2 4.48Å; L300-V350 VanDerWaalsContact O-CG1 3.29Å; L300-V350 WeakPolarHBondContact O-CG1 3.47Å; M303-V350 HydrophobicContact CG-CG2 4.14Å; M303-V350 HydrophobicContact SD-CG2 3.69Å; R304-V350 HydrophobicContact CB-CG1 3.85Å; R346-V350 WeakPolarHBondContact O-CB 3.25Å; R346-V350 VanDerWaalsContact O-CG2 3.25Å; R346-V350 WeakPolarHBondContact O-CG2 3.37Å; R346-V350 PolarHBondContact O-N 3.16Å; R348-V350 VanDerWaalsContact C-N 3.32Å; R348-V350 PolarHBondContact O-N 3.47Å; V350-E353 PolarHBondContact O-N 2.91Å; V350-I354 HydrophobicContact CG1-CD1 3.81Å; V350-I354 HydrophobicContact CG1-CG1 4.36Å; V350-I354 WeakPolarHBondContact O-CB 3.14Å; V350-I354 VanDerWaalsContact O-CG1 3.22Å; V350-I354 WeakPolarHBondContact O-CG1 3.17Å; V350-I354 PolarHBondContact O-N 3.04Å; V350-E411 HydrophobicContact CG2-CB 4.46Å |
| 351 | N | 81.4 | Confident | 77.4 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.139 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 175.5 | -82.5 | -4.4 | 0 | 0 | 0 | 112.1 | R304 Y347 R348 E353 I354 H355 | R304-N351 WeakPolarHBondContact CD-OD1 3.48Å; Y347-N351 WeakPolarHBondContact CE1-ND2 3.46Å; Y347-N351 WeakPolarHBondContact O-CB 3.21Å; Y347-N351 PolarHBondContact O-N 2.83Å; Y347-N351 PolarHBondContact OH-ND2 3.14Å; R348-N351 PolarHBondContact O-N 3.22Å; R348-N351 VanDerWaalsContact O-N 3.16Å; N351-E353 VanDerWaalsContact C-N 3.28Å; N351-E353 PolarHBondContact O-N 2.95Å; N351-I354 PolarHBondContact O-N 3.33Å; N351-H355 PolarHBondContact O-CD2 3.33Å; N351-H355 PolarHBondContact O-N 2.96Å |
| 352 | E | 79.9 | Confident | 76.8 | Confident | 129 Ų | 129 | 56.2 Ų | 56.2 | 60% | 0.603 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -57.3 | -43.1 | 175.8 | -72.8 | 170.6 | -173.3 | 0 | 0 | 111 | R348 C349 H355 R356 | R348-E352 WeakPolarHBondContact O-CG 3.43Å; R348-E352 PolarHBondContact O-N 2.73Å; C349-E352 PolarHBondContact O-N 3.39Å; E352-H355 PolarHBondContact O-N 3.2Å; E352-R356 WeakPolarHBondContact O-CB 3.1Å; E352-R356 PolarHBondContact O-N 2.99Å |
| 353 | E | 78.8 | Confident | 75.6 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 176.7 | -179.5 | 64.6 | -174.7 | 0 | 0 | 112.7 | R296 L300 C349 V350 N351 H355 R356 L357 E411 | R296-E353 IonicContact CZ-OE1 2.78Å; R296-E353 IonicContact NE-OE1 2.68Å; R296-E353 PolarHBondContact NE-OE1 3.49Å; R296-E353 IonicContact NH2-OE1 3.88Å; R296-E353 PolarHBondContact NH2-OE1 2.91Å; L300-E353 HydrophobicContact CD1-CB 4.38Å; L300-E353 HydrophobicContact CD1-CG 3.57Å; L300-E353 HydrophobicContact CD2-CG 4.41Å; C349-E353 WeakPolarHBondContact O-CB 3.38Å; C349-E353 PolarHBondContact O-N 3.27Å; V350-E353 PolarHBondContact O-N 2.91Å; N351-E353 VanDerWaalsContact C-N 3.28Å; N351-E353 PolarHBondContact O-N 2.95Å; E353-H355 VanDerWaalsContact C-N 3.34Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.47Å; E353-R356 IonicContact OE1-CZ 3.92Å; E353-R356 IonicContact OE1-NE 3.55Å; E353-R356 IonicContact OE1-NH2 2.71Å; E353-R356 PolarHBondContact OE1-NH2 3.28Å; E353-R356 IonicContact OE2-CZ 3.57Å; E353-R356 IonicContact OE2-NE 3.61Å; E353-R356 PolarHBondContact OE2-NE 2.86Å; E353-R356 IonicContact OE2-NH2 3.4Å; E353-R356 PolarHBondContact OE2-NH2 3.38Å; E353-L357 HydrophobicContact CG-CD1 4.42Å; E353-L357 WeakPolarHBondContact O-CG 3.29Å; E353-L357 PolarHBondContact O-N 3.18Å; E353-E411 HydrophobicContact CB-CB 4.29Å; E353-E411 HydrophobicContact CG-CB 4.25Å |
| 354 | I | 77.4 | Confident | 74.5 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 173 | -75.6 | 168.2 | 0 | 0 | 0 | 110 | L297 L300 K301 R304 V350 N351 R356 L357 Y358 | L297-I354 HydrophobicContact CD1-CB 4.44Å; L297-I354 HydrophobicContact CD1-CG1 4.28Å; L297-I354 HydrophobicContact CD1-CG2 3.96Å; L300-I354 HydrophobicContact CB-CD1 4.13Å; L300-I354 HydrophobicContact CB-CG1 3.76Å; L300-I354 HydrophobicContact CD1-CG1 4.39Å; K301-I354 HydrophobicContact CG-CD1 4.33Å; R304-I354 HydrophobicContact CB-CD1 4.37Å; V350-I354 HydrophobicContact CG1-CD1 3.81Å; V350-I354 HydrophobicContact CG1-CG1 4.36Å; V350-I354 WeakPolarHBondContact O-CB 3.14Å; V350-I354 VanDerWaalsContact O-CG1 3.22Å; V350-I354 WeakPolarHBondContact O-CG1 3.17Å; V350-I354 PolarHBondContact O-N 3.04Å; N351-I354 PolarHBondContact O-N 3.33Å; I354-R356 VanDerWaalsContact C-N 3.35Å; I354-R356 PolarHBondContact O-N 3.28Å; I354-L357 PolarHBondContact O-N 3.48Å; I354-Y358 HydrophobicContact CG2-CD2 3.59Å; I354-Y358 HydrophobicContact CG2-CE2 3.49Å; I354-Y358 VanDerWaalsContact CG2-CE2 3.49Å; I354-Y358 VanDerWaalsContact O-CD2 3.23Å; I354-Y358 WeakPolarHBondContact O-CD2 3.48Å; I354-Y358 PolarHBondContact O-N 2.98Å |
| 355 | H | 78.3 | Confident | 73.4 | Confident | 123 Ų | 123 | 65 Ų | 65 | 57% | 0.569 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 176.9 | -73.4 | -61.5 | 0 | 0 | 0 | 111.6 | N351 E352 E353 L357 Y358 S359 | N351-H355 PolarHBondContact O-CD2 3.33Å; N351-H355 PolarHBondContact O-N 2.96Å; E352-H355 PolarHBondContact O-N 3.2Å; E353-H355 VanDerWaalsContact C-N 3.34Å; H355-L357 PolarHBondContact O-N 3.15Å; H355-Y358 PolarHBondContact O-N 3.31Å; H355-S359 PolarHBondContact O-N 2.89Å; H355-S359 PolarHBondContact O-OG 2.84Å |
| 356 | R | 77.9 | Confident | 71.7 | Confident | 103 Ų | 103 | 71.2 Ų | 71.2 | 39% | 0.389 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.8 | -167.7 | -174 | 72.9 | 93 | 1.9 | 111.7 | E352 E353 I354 S359 L360 | E352-R356 WeakPolarHBondContact O-CB 3.1Å; E352-R356 PolarHBondContact O-N 2.99Å; E353-R356 WeakPolarHBondContact O-CB 3.48Å; E353-R356 PolarHBondContact O-N 3.47Å; E353-R356 IonicContact OE1-CZ 3.92Å; E353-R356 IonicContact OE1-NE 3.55Å; E353-R356 IonicContact OE1-NH2 2.71Å; E353-R356 PolarHBondContact OE1-NH2 3.28Å; E353-R356 IonicContact OE2-CZ 3.57Å; E353-R356 IonicContact OE2-NE 3.61Å; E353-R356 PolarHBondContact OE2-NE 2.86Å; E353-R356 IonicContact OE2-NH2 3.4Å; E353-R356 PolarHBondContact OE2-NH2 3.38Å; I354-R356 VanDerWaalsContact C-N 3.35Å; I354-R356 PolarHBondContact O-N 3.28Å; R356-S359 PolarHBondContact O-N 3.31Å; R356-L360 HydrophobicContact CG-CD1 4.41Å; R356-L360 WeakPolarHBondContact O-CG 3.29Å; R356-L360 PolarHBondContact O-N 3.36Å |
| 357 | L | 74.4 | Confident | 69.5 | Low | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 177.7 | -73.5 | 173.5 | 0 | 0 | 0 | 112.5 | R296 L300 E353 I354 H355 S359 L360 L361 | R296-L357 HydrophobicContact CG-CD1 3.92Å; L300-L357 HydrophobicContact CD1-CD1 3.37Å; E353-L357 HydrophobicContact CG-CD1 4.42Å; E353-L357 WeakPolarHBondContact O-CG 3.29Å; E353-L357 PolarHBondContact O-N 3.18Å; I354-L357 PolarHBondContact O-N 3.48Å; H355-L357 PolarHBondContact O-N 3.15Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 2.71Å; L357-L360 HydrophobicContact CD2-CD1 4.45Å; L357-L360 PolarHBondContact O-N 2.92Å; L357-L361 WeakPolarHBondContact O-CG 3.46Å; L357-L361 PolarHBondContact O-N 2.79Å |
| 358 | Y | 76.1 | Confident | 67.3 | Low | 94 Ų | 94 | 75.3 Ų | 75.3 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.5 | -86.5 | -63.5 | 0 | 0 | 0 | 112 | L297 K301 I354 H355 L360 L361 R362 | L297-Y358 HydrophobicContact CD1-CD2 4.25Å; L297-Y358 HydrophobicContact CD1-CE2 3.91Å; L297-Y358 HydrophobicContact CD2-CD1 4.5Å; L297-Y358 HydrophobicContact CD2-CE1 3.91Å; L297-Y358 HydrophobicContact CD2-CE2 4.36Å; K301-Y358 VanDerWaalsContact CE-OH 3.26Å; K301-Y358 WeakPolarHBondContact CE-OH 3.37Å; K301-Y358 PolarHBondContact NZ-OH 3.28Å; I354-Y358 HydrophobicContact CG2-CD2 3.59Å; I354-Y358 HydrophobicContact CG2-CE2 3.49Å; I354-Y358 VanDerWaalsContact CG2-CE2 3.49Å; I354-Y358 VanDerWaalsContact O-CD2 3.23Å; I354-Y358 WeakPolarHBondContact O-CD2 3.48Å; I354-Y358 PolarHBondContact O-N 2.98Å; H355-Y358 PolarHBondContact O-N 3.31Å; Y358-L360 VanDerWaalsContact C-N 3.33Å; Y358-L360 PolarHBondContact O-N 2.89Å; Y358-L361 PolarHBondContact O-N 3.45Å; Y358-R362 PolarHBondContact O-N 2.87Å |
| 359 | S | 74.8 | Confident | 65.5 | Low | 84 Ų | 84 | 74.7 Ų | 74.7 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 174.6 | -62.7 | 0 | 0 | 0 | 0 | 112 | H355 R356 L357 R362 G363 | H355-S359 PolarHBondContact O-N 2.89Å; H355-S359 PolarHBondContact O-OG 2.84Å; R356-S359 PolarHBondContact O-N 3.31Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 2.71Å; S359-R362 PolarHBondContact O-N 3.02Å; S359-G363 PolarHBondContact O-N 3.36Å |
| 360 | L | 70.9 | Confident | 63.6 | Low | 64 Ų | 64 | 83.7 Ų | 83.7 | 34% | 0.335 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.2 | -28.1 | 176.4 | -71.9 | 170.7 | 0 | 0 | 0 | 113.8 | R356 L357 Y358 R362 | R356-L360 HydrophobicContact CG-CD1 4.41Å; R356-L360 WeakPolarHBondContact O-CG 3.29Å; R356-L360 PolarHBondContact O-N 3.36Å; L357-L360 HydrophobicContact CD2-CD1 4.45Å; L357-L360 PolarHBondContact O-N 2.92Å; Y358-L360 VanDerWaalsContact C-N 3.33Å; Y358-L360 PolarHBondContact O-N 2.89Å; L360-R362 VanDerWaalsContact C-N 3.34Å |
| 361 | L | 69.3 | Low | 62 | Low | 57 Ų | 57 | 92.8 Ų | 92.8 | 30% | 0.298 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.6 | -26.9 | 173.5 | -73.7 | 169.2 | 0 | 0 | 0 | 112.1 | M290 K293 L297 L357 Y358 | M290-L361 HydrophobicContact CG-CD2 4.47Å; K293-L361 HydrophobicContact CB-CD2 3.97Å; K293-L361 HydrophobicContact CD-CD2 4.22Å; L297-L361 HydrophobicContact CD2-CD1 4.2Å; L357-L361 WeakPolarHBondContact O-CG 3.46Å; L357-L361 PolarHBondContact O-N 2.79Å; Y358-L361 PolarHBondContact O-N 3.45Å |
| 362 | R | 66.3 | Low | 60.3 | Low | 194 Ų | 194 | 95 Ų | 95 | 73% | 0.732 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -86.5 | -21.4 | 175.4 | -70.1 | -175.9 | 177.1 | -176.9 | -0.7 | 113 | E140 Y358 S359 L360 | E140-R362 IonicContact OE2-CZ 3.81Å; E140-R362 IonicContact OE2-NH1 3.93Å; E140-R362 IonicContact OE2-NH2 2.77Å; E140-R362 PolarHBondContact OE2-NH2 3.22Å; Y358-R362 PolarHBondContact O-N 2.87Å; S359-R362 PolarHBondContact O-N 3.02Å; L360-R362 VanDerWaalsContact C-N 3.34Å |
| 363 | G | 57.9 | Low | 59.5 | Low | 31 Ų | 31 | 92.6 Ų | 92.6 | 32% | 0.32 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -89.3 | 166.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S359 | S359-G363 PolarHBondContact O-N 3.36Š|
| 364 | P | 50.1 | Low | 58.8 | Low | 114 Ų | 114 | 92.5 Ų | 92.5 | 74% | 0.74 | 50% | 0.499 | S | S | * | . | trans | -56.4 | 141.6 | 170.1 | 24.7 | -31.9 | 0 | 0 | 0 | 110.1 | D366 | P364-D366 VanDerWaalsContact C-N 3.35Å; P364-D366 PolarHBondContact O-N 3.49Å | ||
| 365 | I | 51.8 | Low | 58.5 | Low | 69 Ų | 69 | 95.1 Ų | 95.1 | 35% | 0.354 | 52% | 0.515 | S | S | . | . | trans | -65.8 | 96.1 | 176 | -59.1 | 176.2 | 0 | 0 | 0 | 107.3 | A286 E289 T367 | A286-I365 HydrophobicContact CB-CD1 3.79Å; E289-I365 VanDerWaalsContact CD-CG2 3.41Å; E289-I365 WeakPolarHBondContact OE1-CG2 3.25Å; E289-I365 WeakPolarHBondContact OE2-CG2 3.37Å; I365-T367 VanDerWaalsContact C-N 3.33Å; I365-T367 HydrophobicContact CG2-CG2 3.83Å; I365-T367 PolarHBondContact O-N 3.27Å | ||
| 366 | D | 43.4 | Very low | 58.1 | Low | 138 Ų | 138 | 89.4 Ų | 89.4 | 74% | 0.738 | 49% | 0.489 | S | S | * | . | trans | -68.7 | 96.6 | 169 | -92.6 | -20.4 | 0 | 0 | 0 | 108.4 | P364 A368 | P364-D366 VanDerWaalsContact C-N 3.35Å; P364-D366 PolarHBondContact O-N 3.49Å; D366-A368 PolarHBondContact O-N 3.27Å | ||
| 367 | T | 35.6 | Very low | 57.8 | Low | 125 Ų | 125 | 85.7 Ų | 85.7 | 77% | 0.767 | 48% | 0.477 | S | S | * | . | trans | -73.1 | 15.2 | -176.3 | 42.1 | 0 | 0 | 0 | 0 | 114.2 | I365 | I365-T367 VanDerWaalsContact C-N 3.33Å; I365-T367 HydrophobicContact CG2-CG2 3.83Å; I365-T367 PolarHBondContact O-N 3.27Å | ||
| 368 | A | 32.1 | Very low | 57.7 | Low | 91 Ų | 91 | 85.7 Ų | 85.7 | 75% | 0.752 | 48% | 0.476 | S | S | * | . | trans | -150.4 | 70.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D366 | D366-A368 PolarHBondContact O-N 3.27Š| ||
| 369 | S | 39.5 | Very low | 57.6 | Low | 103 Ų | 103 | 84.6 Ų | 84.6 | 72% | 0.72 | 47% | 0.472 | S | S | * | . | trans | -98.5 | 103.2 | 152 | 80.7 | 0 | 0 | 0 | 0 | 108.9 | K371 | S369-K371 PolarHBondContact O-N 2.89Š| ||
| 370 | K | 40.6 | Very low | 57.5 | Low | 197 Ų | 197 | 86.2 Ų | 86.2 | 86% | 0.857 | 47% | 0.474 | S | S | * | . | trans | -57.2 | 107.8 | 169.2 | -82.6 | 179.9 | 176.3 | 176.5 | 0 | 108.2 | C372 | K370-C372 VanDerWaalsContact C-N 3.26Å; K370-C372 PolarHBondContact O-N 3.23Å | ||
| 371 | K | 45.4 | Very low | 57.6 | Low | 192 Ų | 192 | 83.2 Ų | 83.2 | 84% | 0.835 | 46% | 0.458 | S | S | * | . | trans | -66.9 | 83.3 | 172.7 | -72 | -179.1 | 178.8 | 177.5 | 0 | 109.2 | S369 | S369-K371 PolarHBondContact O-N 2.89Š| ||
| 372 | C | 46.3 | Very low | 57.6 | Low | 71 Ų | 71 | 81.9 Ų | 81.9 | 48% | 0.48 | 45% | 0.452 | S | S | . | . | trans | -87.4 | 103.7 | 150.1 | -85.7 | 0 | 0 | 0 | 0 | 106.1 | K370 P443 F505 | K370-C372 VanDerWaalsContact C-N 3.26Å; K370-C372 PolarHBondContact O-N 3.23Å; C372-P443 HydrophobicContact CB-CG 3.69Å; C372-F505 HydrophobicContact CB-CE1 4.13Å | ||
| 373 | S | 63.5 | Low | 57.7 | Low | 80 Ų | 80 | 72.9 Ų | 72.9 | 56% | 0.559 | 42% | 0.419 | S | S | * | . | trans | -94.8 | 105.4 | 176.2 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | L441 | S373-L441 WeakPolarHBondContact CA-O 3.42Š| ||
| 374 | G | 64.1 | Low | 58 | Low | 2 Ų | 2 | 72.6 Ų | 72.6 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 169.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P439 N440 L441 F505 | G374-P439 CarbonylContact O-C 3.52Å; G374-N440 PolarHBondContact O-N 3.48Å; G374-L441 PolarHBondContact N-O 3.33Å; G374-L441 PolarHBondContact O-N 3.44Å; G374-F505 VanDerWaalsContact CA-CZ 3.42Å |
| 375 | T | 69.3 | Low | 58.6 | Low | 58 Ų | 58 | 67.9 Ų | 67.9 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.3 | 172.4 | -58.9 | 0 | 0 | 0 | 0 | 108.2 | S437 V438 | T375-S437 WeakPolarHBondContact CG2-OG 3.35Å; T375-V438 WeakPolarHBondContact CA-O 3.41Å |
| 376 | L | 71.9 | Confident | 58.8 | Low | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.3 | 168.5 | 175.1 | 61.1 | 0 | 0 | 0 | 108.7 | M407 S437 V438 L441 V447 L476 L501 | L376-M407 HydrophobicContact CD2-CE 4.34Å; L376-M407 HydrophobicContact CD2-SD 4Å; L376-S437 CarbonylContact O-C 3.57Å; L376-S437 VanDerWaalsContact O-CA 3.31Å; L376-S437 WeakPolarHBondContact O-CA 3.48Å; L376-V438 PolarHBondContact N-O 2.89Å; L376-V438 PolarHBondContact O-N 3.41Å; L376-L441 HydrophobicContact CB-CD1 3.29Å; L376-V447 HydrophobicContact CD2-CB 4.12Å; L376-V447 HydrophobicContact CD2-CG1 3.99Å; L376-V447 HydrophobicContact CD2-CG2 3.97Å; L376-L476 HydrophobicContact CD1-CD1 3.52Å; L376-L476 HydrophobicContact CD1-CD2 3.89Å; L376-L476 HydrophobicContact CD1-CG 4.31Å; L376-L476 HydrophobicContact CD2-CD1 3.61Å; L376-L476 HydrophobicContact CG-CD1 4.09Å; L376-L501 HydrophobicContact CD1-CD2 4.11Å |
| 377 | D | 71 | Confident | 58.9 | Low | 26 Ų | 26 | 63.3 Ų | 63.3 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.7 | 170.8 | -73.8 | -48 | 0 | 0 | 0 | 110.1 | W379 R435 S437 R502 | D377-W379 HydrophobicContact CB-CE3 3.77Å; D377-W379 HydrophobicContact CB-CZ3 3.52Å; D377-R435 VanDerWaalsContact CG-NH2 3.26Å; D377-R435 IonicContact OD1-CZ 3.69Å; D377-R435 IonicContact OD1-NE 3.86Å; D377-R435 PolarHBondContact OD1-NE 3.37Å; D377-R435 IonicContact OD1-NH2 2.72Å; D377-R435 IonicContact OD2-CZ 2.7Å; D377-R435 IonicContact OD2-NE 3.48Å; D377-R435 IonicContact OD2-NH2 3.11Å; D377-R435 PolarHBondContact OD2-NH2 3.44Å; D377-S437 WeakPolarHBondContact OD1-CB 3.33Å; D377-S437 PolarHBondContact OD1-OG 2.9Å; D377-R502 PolarHBondContact O-N 3.03Å |
| 378 | L | 71.5 | Confident | 59.3 | Low | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.4 | -178.4 | -154.7 | 159 | 0 | 0 | 0 | 108 | I381 M407 R435 L436 F449 I499 L501 | L378-I381 HydrophobicContact CD2-CD1 3.56Å; L378-I381 HydrophobicContact CD2-CG1 3.43Å; L378-I381 VanDerWaalsContact CD2-CG1 3.43Å; L378-M407 HydrophobicContact CB-CE 4.43Å; L378-M407 HydrophobicContact CB-SD 4.35Å; L378-M407 HydrophobicContact CD1-SD 3.84Å; L378-R435 CarbonylContact O-C 3.58Å; L378-R435 WeakPolarHBondContact O-CA 3.17Å; L378-L436 HydrophobicContact CB-CB 4.39Å; L378-L436 PolarHBondContact N-O 3.31Å; L378-L436 PolarHBondContact O-N 3.37Å; L378-F449 HydrophobicContact CD1-CD2 4.37Å; L378-I499 HydrophobicContact CD1-CG2 4Å; L378-I499 HydrophobicContact CD2-CG2 3.66Å; L378-I499 HydrophobicContact CG-CG2 3.67Å; L378-L501 HydrophobicContact CD1-CD2 3.71Å; L378-L501 HydrophobicContact CG-CD2 3.9Å |
| 379 | W | 75.4 | Confident | 59.8 | Low | 72 Ų | 72 | 61.8 Ų | 61.8 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 170.6 | -176.4 | 62.4 | 73.2 | 0 | 0 | 0 | 111.2 | D377 I381 R435 R502 | D377-W379 HydrophobicContact CB-CE3 3.77Å; D377-W379 HydrophobicContact CB-CZ3 3.52Å; W379-I381 VanDerWaalsContact C-N 3.31Å; W379-I381 PolarHBondContact O-N 2.61Å; W379-R435 HydrophobicContact CB-CB 4.49Å; W379-R435 HydrophobicContact CB-CG 4.38Å; W379-R502 HydrophobicContact CH2-CB 3.36Å; W379-R502 HydrophobicContact CH2-CG 4.11Å; W379-R502 HydrophobicContact CZ2-CB 4.11Å; W379-R502 HydrophobicContact CZ3-CB 3.91Å |
| 380 | N | 71.6 | Confident | 60.2 | Low | 118 Ų | 118 | 61.5 Ų | 61.5 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.7 | 50 | -177.4 | -63.8 | -17.2 | 0 | 0 | 0 | 111.9 | V382 | N380-V382 PolarHBondContact O-N 2.84Å; N380-V382 VanDerWaalsContact O-N 3.13Å |
| 381 | I | 72.1 | Confident | 60.6 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 110.3 | -178.1 | -45.5 | 178.2 | 0 | 0 | 0 | 107.9 | L378 W379 I383 F432 L436 F449 | L378-I381 HydrophobicContact CD2-CD1 3.56Å; L378-I381 HydrophobicContact CD2-CG1 3.43Å; L378-I381 VanDerWaalsContact CD2-CG1 3.43Å; W379-I381 VanDerWaalsContact C-N 3.31Å; W379-I381 PolarHBondContact O-N 2.61Å; I381-I383 HydrophobicContact CG2-CG1 4.25Å; I381-F432 HydrophobicContact CB-CB 4.06Å; I381-F432 HydrophobicContact CB-CD2 4.1Å; I381-F432 HydrophobicContact CB-CG 4.44Å; I381-F432 HydrophobicContact CG2-CD2 4.04Å; I381-F432 PolarHBondContact O-N 2.95Å; I381-L436 HydrophobicContact CD1-CD1 3.82Å; I381-L436 HydrophobicContact CD1-CG 4.14Å; I381-F449 HydrophobicContact CD1-CE2 4.23Å; I381-F449 HydrophobicContact CG2-CZ 4.15Å |
| 382 | V | 70.3 | Confident | 60.7 | Low | 29 Ų | 29 | 48.1 Ų | 48.1 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.8 | 178.9 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | N380 P384 R429 L430 E431 | N380-V382 PolarHBondContact O-N 2.84Å; N380-V382 VanDerWaalsContact O-N 3.13Å; V382-P384 WeakPolarHBondContact O-CD 3.42Å; V382-R429 HydrophobicContact CG1-CB 3.93Å; V382-R429 HydrophobicContact CG1-CG 4.28Å; V382-L430 WeakPolarHBondContact CA-O 3.39Å; V382-E431 HydrophobicContact CG1-CG 4.26Å; V382-E431 HydrophobicContact CG2-CG 4.17Å |
| 383 | I | 68.5 | Low | 60.7 | Low | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 98.1 | 178.3 | -50.6 | -174.8 | 0 | 0 | 0 | 107.7 | I381 L385 L430 F432 L451 | I381-I383 HydrophobicContact CG2-CG1 4.25Å; I383-L385 PolarHBondContact O-N 3.4Å; I383-L430 HydrophobicContact CB-CB 4.26Å; I383-L430 PolarHBondContact N-O 3.35Å; I383-L430 PolarHBondContact O-N 3.35Å; I383-F432 HydrophobicContact CD1-CE2 3.7Å; I383-F432 HydrophobicContact CD1-CZ 4.45Å; I383-F432 HydrophobicContact CG1-CE2 4.11Å; I383-L451 HydrophobicContact CD1-CD1 3.65Å; I383-L451 HydrophobicContact CD1-CD2 3.76Å; I383-L451 HydrophobicContact CD1-CG 4.17Å; I383-L451 HydrophobicContact CG2-CD2 4.31Å |
| 384 | P | 63.6 | Low | 59.7 | Low | 24 Ų | 24 | 50.5 Ų | 50.5 | 16% | 0.156 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126.3 | 171.1 | 26.7 | -34.3 | 0 | 0 | 0 | 109.5 | V382 R429 Y496 | V382-P384 WeakPolarHBondContact O-CD 3.42Å; P384-R429 HydrophobicContact CB-CG 4.22Å; P384-Y496 WeakPolarHBondContact CD-O 3.41Å; P384-Y496 WeakPolarHBondContact CG-O 3.28Å |
| 385 | L | 63.4 | Low | 59 | Low | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 129.1 | 168.3 | -64.2 | 172.8 | 0 | 0 | 0 | 106.4 | I383 F421 L425 K428 L430 | I383-L385 PolarHBondContact O-N 3.4Å; L385-F421 HydrophobicContact CD1-CD2 4.05Å; L385-F421 HydrophobicContact CD1-CE2 3.78Å; L385-L425 HydrophobicContact CD1-CD1 3.55Å; L385-K428 WeakPolarHBondContact CA-O 3.34Å; L385-K428 WeakPolarHBondContact CB-O 3.47Å; L385-K428 PolarHBondContact N-O 3.15Å; L385-L430 HydrophobicContact CD1-CD1 3.96Å; L385-L430 HydrophobicContact CD1-CD2 3.88Å; L385-L430 HydrophobicContact CD1-CG 3.6Å; L385-L430 HydrophobicContact CD2-CD1 3.92Å; L385-L430 HydrophobicContact CD2-CG 4.33Å; L385-L430 HydrophobicContact CG-CD1 4.1Å; L385-L430 HydrophobicContact CG-CG 3.93Å |
| 386 | N | 55.2 | Low | 58 | Low | 42 Ų | 42 | 58.5 Ų | 58.5 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 153.2 | 169.3 | -80.8 | -48.9 | 0 | 0 | 0 | 110.3 | L388 D493 R494 | N386-L388 PolarHBondContact O-N 3.18Å; N386-D493 VanDerWaalsContact CG-O 3.27Å; N386-D493 PolarHBondContact ND2-O 3.16Å; N386-R494 PolarHBondContact ND2-O 3.32Å; N386-R494 PolarHBondContact OD1-O 3.48Å |
| 387 | P | 45.7 | Very low | 57 | Low | 70 Ų | 70 | 63.6 Ų | 63.6 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | trans | -65.2 | 73 | 159.8 | 31.3 | -32.8 | 0 | 0 | 0 | 108.1 | N389 K428 | P387-N389 PolarHBondContact O-N 2.84Å; P387-K428 HydrophobicContact CB-CD 4.08Å | ||
| 388 | L | 44 | Very low | 55.9 | Low | 47 Ų | 47 | 66.8 Ų | 66.8 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | trans | -63.8 | 98.4 | 152.8 | -83.7 | 165.6 | 0 | 0 | 0 | 104.1 | N386 D390 I391 L492 | N386-L388 PolarHBondContact O-N 3.18Å; L388-D390 PolarHBondContact O-N 3.16Å; L388-I391 HydrophobicContact CB-CB 3.98Å; L388-I391 HydrophobicContact CB-CD1 3.89Å; L388-I391 HydrophobicContact CB-CG1 3.61Å; L388-I391 HydrophobicContact CD1-CD1 3.22Å; L388-I391 HydrophobicContact CD1-CG1 3.56Å; L388-I391 HydrophobicContact CG-CD1 4.17Å; L388-I391 HydrophobicContact CG-CG1 4.22Å; L388-I391 PolarHBondContact O-N 2.96Å; L388-L492 HydrophobicContact CD1-CD2 3.28Å; L388-L492 HydrophobicContact CD1-CG 3.8Å; L388-L492 HydrophobicContact CG-CD2 4.26Å | ||
| 389 | N | 42 | Very low | 55.2 | Low | 137 Ų | 137 | 68.6 Ų | 68.6 | 73% | 0.733 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -19.5 | 165 | -75.6 | -22.9 | 0 | 0 | 0 | 110.8 | P387 | P387-N389 PolarHBondContact O-N 2.84Š|
| 390 | D | 49.3 | Very low | 54.6 | Low | 97 Ų | 97 | 67.9 Ų | 67.9 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -24.4 | 174.6 | -69.3 | -37.9 | 0 | 0 | 0 | 116.6 | L388 K393 M394 | L388-D390 PolarHBondContact O-N 3.16Å; D390-K393 PolarHBondContact O-N 3.21Å; D390-M394 VanDerWaalsContact O-CB 3.23Å; D390-M394 WeakPolarHBondContact O-CB 3.34Å; D390-M394 WeakPolarHBondContact O-CG 2.95Å; D390-M394 PolarHBondContact O-N 2.98Å |
| 391 | I | 48.6 | Very low | 54.5 | Low | 38 Ų | 38 | 63.7 Ų | 63.7 | 20% | 0.195 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71 | -40.6 | 178.7 | -72.9 | 176.3 | 0 | 0 | 0 | 110.3 | L388 K393 M394 A395 F421 | L388-I391 HydrophobicContact CB-CB 3.98Å; L388-I391 HydrophobicContact CB-CD1 3.89Å; L388-I391 HydrophobicContact CB-CG1 3.61Å; L388-I391 HydrophobicContact CD1-CD1 3.22Å; L388-I391 HydrophobicContact CD1-CG1 3.56Å; L388-I391 HydrophobicContact CG-CD1 4.17Å; L388-I391 HydrophobicContact CG-CG1 4.22Å; L388-I391 PolarHBondContact O-N 2.96Å; I391-K393 PolarHBondContact O-N 2.63Å; I391-M394 PolarHBondContact O-N 3.34Å; I391-A395 WeakPolarHBondContact O-CB 3.47Å; I391-A395 PolarHBondContact O-N 3.49Å; I391-F421 HydrophobicContact CG2-CD2 4.33Å; I391-F421 HydrophobicContact CG2-CE1 4.15Å; I391-F421 HydrophobicContact CG2-CE2 3.53Å; I391-F421 HydrophobicContact CG2-CZ 3.44Å; I391-F421 VanDerWaalsContact CG2-CZ 3.44Å |
| 392 | T | 46.6 | Very low | 54.7 | Low | 70 Ų | 70 | 63.7 Ų | 63.7 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.4 | -28.5 | 174.3 | 34.7 | 0 | 0 | 0 | 0 | 112 | R396 | T392-R396 WeakPolarHBondContact O-CD 3.26Å; T392-R396 WeakPolarHBondContact O-CG 3.35Å; T392-R396 PolarHBondContact O-N 3.38Å |
| 393 | K | 46.1 | Very low | 55.1 | Low | 126 Ų | 126 | 62.9 Ų | 62.9 | 55% | 0.548 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.7 | -46.9 | 173.4 | -159.3 | 177.9 | 178.7 | -173.5 | 0 | 111.5 | D390 I391 R396 E397 | D390-K393 PolarHBondContact O-N 3.21Å; I391-K393 PolarHBondContact O-N 2.63Å; K393-R396 WeakPolarHBondContact O-CB 3.26Å; K393-R396 PolarHBondContact O-N 3.24Å; K393-E397 WeakPolarHBondContact O-CG 3.39Å; K393-E397 PolarHBondContact O-N 3.49Å |
| 394 | M | 43.6 | Very low | 55.8 | Low | 75 Ų | 75 | 62.7 Ų | 62.7 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.9 | -32.3 | 178 | -72.3 | -115 | -89 | 0 | 0 | 113.6 | D390 I391 E397 K399 | D390-M394 VanDerWaalsContact O-CB 3.23Å; D390-M394 WeakPolarHBondContact O-CB 3.34Å; D390-M394 WeakPolarHBondContact O-CG 2.95Å; D390-M394 PolarHBondContact O-N 2.98Å; I391-M394 PolarHBondContact O-N 3.34Å; M394-E397 PolarHBondContact O-N 3.25Å; M394-K399 WeakPolarHBondContact O-CB 3.29Å; M394-K399 PolarHBondContact SD-NZ 3.41Å |
| 395 | A | 48.8 | Very low | 56.7 | Low | 16 Ų | 16 | 61.5 Ų | 61.5 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.1 | -32.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I391 E397 Y401 F421 | I391-A395 WeakPolarHBondContact O-CB 3.47Å; I391-A395 PolarHBondContact O-N 3.49Å; A395-E397 VanDerWaalsContact C-N 3.27Å; A395-E397 PolarHBondContact O-N 3.48Å; A395-Y401 HydrophobicContact CB-CD2 4.41Å; A395-Y401 HydrophobicContact CB-CE2 4.4Å; A395-F421 HydrophobicContact CB-CD1 4.07Å; A395-F421 HydrophobicContact CB-CE1 3.87Å |
| 396 | R | 48 | Very low | 57.6 | Low | 212 Ų | 212 | 60.8 Ų | 60.8 | 80% | 0.8 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.4 | -27.8 | 172.2 | -76.4 | 172.5 | -170.4 | -173.8 | 4.2 | 112.4 | T392 K393 C398 | T392-R396 WeakPolarHBondContact O-CD 3.26Å; T392-R396 WeakPolarHBondContact O-CG 3.35Å; T392-R396 PolarHBondContact O-N 3.38Å; K393-R396 WeakPolarHBondContact O-CB 3.26Å; K393-R396 PolarHBondContact O-N 3.24Å; R396-C398 PolarHBondContact O-N 3.05Å |
| 397 | E | 50.8 | Low | 58.9 | Low | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 36.6 | 178.7 | -69.1 | 172.7 | -174.8 | 0 | 0 | 113.6 | K393 M394 A395 K399 | K393-E397 WeakPolarHBondContact O-CG 3.39Å; K393-E397 PolarHBondContact O-N 3.49Å; M394-E397 PolarHBondContact O-N 3.25Å; A395-E397 VanDerWaalsContact C-N 3.27Å; A395-E397 PolarHBondContact O-N 3.48Å; E397-K399 VanDerWaalsContact C-N 3.34Å; E397-K399 PolarHBondContact O-N 2.91Å |
| 398 | C | 47.9 | Very low | 60.6 | Low | 94 Ų | 94 | 56.1 Ų | 56.1 | 64% | 0.635 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 20.3 | 174.7 | -52.4 | 0 | 0 | 0 | 0 | 115.8 | R396 P458 | R396-C398 PolarHBondContact O-N 3.05Å; C398-P458 HydrophobicContact CB-CB 4.38Å; C398-P458 HydrophobicContact CB-CG 3.53Å; C398-P458 WeakPolarHBondContact O-CD 3.37Å; C398-P458 WeakPolarHBondContact O-CG 3.41Å |
| 399 | K | 57.8 | Low | 62.2 | Low | 43 Ų | 43 | 54.7 Ų | 54.7 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | trans | -95.5 | 113.9 | 176.4 | -58.5 | -177.6 | -172.3 | 170.8 | 0 | 111 | M394 E397 Y401 V455 L457 | M394-K399 WeakPolarHBondContact O-CB 3.29Å; M394-K399 PolarHBondContact SD-NZ 3.41Å; E397-K399 VanDerWaalsContact C-N 3.34Å; E397-K399 PolarHBondContact O-N 2.91Å; K399-Y401 HydrophobicContact CB-CD2 4.24Å; K399-Y401 HydrophobicContact CB-CE2 3.59Å; K399-Y401 HydrophobicContact CD-CE2 4.48Å; K399-Y401 WeakPolarHBondContact O-CD2 3.34Å; K399-V455 HydrophobicContact CB-CG1 4.37Å; K399-L457 HydrophobicContact CD-CD2 3.77Å; K399-L457 HydrophobicContact CG-CD2 3.97Å | ||
| 400 | K | 63.3 | Low | 64 | Low | 57 Ų | 57 | 51.9 Ų | 51.9 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117.5 | 169.6 | -67.9 | -164.5 | 178.8 | -179.9 | 0 | 109.6 | L330 I334 N456 | L330-K400 HydrophobicContact CB-CD 4.12Å; L330-K400 HydrophobicContact CD1-CD 4.38Å; L330-K400 HydrophobicContact CD2-CD 3.81Å; L330-K400 HydrophobicContact CD2-CG 4.23Å; L330-K400 HydrophobicContact CG-CD 4.32Å; I334-K400 HydrophobicContact CD1-CB 4.34Å; K400-N456 HydrophobicContact CB-CB 4.47Å; K400-N456 PolarHBondContact N-O 2.81Å; K400-N456 PolarHBondContact O-N 2.89Å |
| 401 | Y | 69.5 | Low | 65.5 | Low | 30 Ų | 30 | 49.2 Ų | 49.2 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.9 | 172.9 | -66.9 | -92.8 | 0 | 0 | 0 | 110 | A395 K399 F421 V453 M454 V455 | A395-Y401 HydrophobicContact CB-CD2 4.41Å; A395-Y401 HydrophobicContact CB-CE2 4.4Å; K399-Y401 HydrophobicContact CB-CD2 4.24Å; K399-Y401 HydrophobicContact CB-CE2 3.59Å; K399-Y401 HydrophobicContact CD-CE2 4.48Å; K399-Y401 WeakPolarHBondContact O-CD2 3.34Å; Y401-F421 PolarHBondContact O-N 3.03Å; Y401-V453 HydrophobicContact CD1-CG1 4.15Å; Y401-M454 CarbonylContact C-O 3.59Å; Y401-M454 WeakPolarHBondContact CA-O 3.5Å; Y401-V455 HydrophobicContact CD1-CB 4.46Å; Y401-V455 HydrophobicContact CD1-CG1 4.31Å; Y401-V455 HydrophobicContact CD1-CG2 3.65Å; Y401-V455 HydrophobicContact CE1-CB 4.34Å; Y401-V455 HydrophobicContact CE1-CG1 3.92Å; Y401-V455 HydrophobicContact CE1-CG2 3.52Å |
| 402 | A | 75.1 | Confident | 67.1 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I334 V418 I419 Y420 V453 M454 | I334-A402 HydrophobicContact CD1-CB 4.17Å; I334-A402 HydrophobicContact CG2-CB 3.51Å; A402-V418 HydrophobicContact CB-CG1 3.79Å; A402-I419 CarbonylContact C-O 3.54Å; A402-I419 WeakPolarHBondContact CA-O 3.23Å; A402-Y420 HydrophobicContact CB-CD1 4.11Å; A402-Y420 HydrophobicContact CB-CE1 4.27Å; A402-V453 CarbonylContact O-C 3.58Å; A402-V453 WeakPolarHBondContact O-CA 3.5Å; A402-M454 HydrophobicContact CB-CB 4.34Å; A402-M454 HydrophobicContact CB-CE 4.07Å; A402-M454 PolarHBondContact N-O 2.94Å; A402-M454 PolarHBondContact O-N 2.51Å |
| 403 | F | 79.6 | Confident | 69 | Low | 13 Ų | 13 | 46.4 Ų | 46.4 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.5 | -173.6 | -58.6 | -91.8 | 0 | 0 | 0 | 110.3 | V418 I419 F421 L430 F432 L451 Y452 V453 | F403-V418 CarbonylContact O-C 3.5Å; F403-V418 WeakPolarHBondContact O-CA 3.49Å; F403-I419 PolarHBondContact N-O 3.19Å; F403-I419 PolarHBondContact O-N 3.42Å; F403-F421 HydrophobicContact CE2-CB 4.01Å; F403-F421 HydrophobicContact CE2-CD2 4.02Å; F403-F421 HydrophobicContact CZ-CD2 4.38Å; F403-L430 HydrophobicContact CB-CD1 4.1Å; F403-L430 HydrophobicContact CD1-CD1 3.57Å; F403-L430 HydrophobicContact CD2-CD1 3.63Å; F403-L430 HydrophobicContact CD2-CD2 3.83Å; F403-L430 HydrophobicContact CD2-CG 4.4Å; F403-L430 HydrophobicContact CE1-CD1 3.81Å; F403-L430 HydrophobicContact CE2-CD1 3.86Å; F403-L430 HydrophobicContact CE2-CD2 3.97Å; F403-L430 HydrophobicContact CG-CD1 3.48Å; F403-L430 VanDerWaalsContact CG-CD1 3.48Å; F403-L430 HydrophobicContact CG-CD2 4.47Å; F403-L430 HydrophobicContact CZ-CD1 3.95Å; F403-F432 HydrophobicContact CB-CZ 4.03Å; F403-L451 HydrophobicContact CB-CD1 4.36Å; F403-L451 HydrophobicContact CD1-CD1 4.48Å; F403-Y452 WeakPolarHBondContact CA-O 3.19Å; F403-V453 HydrophobicContact CD1-CB 4.34Å; F403-V453 HydrophobicContact CD1-CG1 4.16Å; F403-V453 HydrophobicContact CD1-CG2 3.74Å; F403-V453 HydrophobicContact CE1-CB 4.24Å; F403-V453 HydrophobicContact CE1-CG1 3.73Å; F403-V453 HydrophobicContact CE1-CG2 3.63Å; F403-V453 HydrophobicContact CZ-CG1 4.22Å |
| 404 | I | 82.2 | Confident | 70.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 137.2 | 173 | -174.4 | 170.7 | 0 | 0 | 0 | 109.6 | A338 I342 W415 V418 Y452 M454 | A338-I404 HydrophobicContact CB-CD1 4.23Å; I342-I404 HydrophobicContact CD1-CD1 3.88Å; I342-I404 HydrophobicContact CG1-CD1 4.25Å; I404-W415 HydrophobicContact CD1-CB 4.2Å; I404-W415 HydrophobicContact CD1-CG 4.43Å; I404-W415 HydrophobicContact CG1-CB 4.48Å; I404-V418 HydrophobicContact CD1-CG2 4.16Å; I404-Y452 HydrophobicContact CG2-CD2 4.46Å; I404-Y452 PolarHBondContact N-O 2.72Å; I404-Y452 PolarHBondContact O-N 2.9Å; I404-M454 HydrophobicContact CG2-CE 4.12Å |
| 405 | C | 83 | Confident | 73.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 139.9 | 172.4 | -64.5 | 0 | 0 | 0 | 0 | 109.5 | W415 S416 F432 L436 F449 S450 | C405-W415 CarbonylContact O-C 3.6Å; C405-W415 WeakPolarHBondContact O-CA 3.22Å; C405-W415 WeakPolarHBondContact O-CB 3.48Å; C405-S416 PolarHBondContact N-OG 2.82Å; C405-S416 PolarHBondContact O-N 2.81Å; C405-F432 WeakPolarHBondContact SG-CE2 3.42Å; C405-F432 WeakPolarHBondContact SG-CZ 3.37Å; C405-L436 HydrophobicContact CB-CD1 4.45Å; C405-F449 HydrophobicContact CB-CE2 3.82Å; C405-F449 HydrophobicContact CB-CZ 3.72Å; C405-S450 CarbonylContact C-O 3.49Å; C405-S450 WeakPolarHBondContact CA-O 3.4Å |
| 406 | V | 81.8 | Confident | 75 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.7 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | L341 K408 V413 V414 W415 F449 S450 Y452 | L341-V406 HydrophobicContact CD2-CG2 4.11Å; V406-K408 HydrophobicContact CG1-CD 4.48Å; V406-K408 HydrophobicContact CG1-CG 3.98Å; V406-V413 HydrophobicContact CG1-CG1 3.58Å; V406-V414 CarbonylContact C-O 3.57Å; V406-V414 WeakPolarHBondContact CA-O 3.34Å; V406-W415 HydrophobicContact CG2-CB 4.16Å; V406-F449 CarbonylContact O-C 3.55Å; V406-F449 WeakPolarHBondContact O-CA 3.44Å; V406-S450 PolarHBondContact N-O 3.39Å; V406-S450 PolarHBondContact O-N 2.95Å; V406-Y452 HydrophobicContact CB-CD2 4.37Å; V406-Y452 HydrophobicContact CB-CE2 3.88Å; V406-Y452 HydrophobicContact CG2-CD2 3.78Å; V406-Y452 HydrophobicContact CG2-CE2 3.64Å |
| 407 | M | 82.1 | Confident | 76.9 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.3 | 175.3 | -171.2 | 165.2 | 77.3 | 0 | 0 | 109.2 | L376 L378 V413 V414 L436 V438 V447 Q448 F449 | L376-M407 HydrophobicContact CD2-CE 4.34Å; L376-M407 HydrophobicContact CD2-SD 4Å; L378-M407 HydrophobicContact CB-CE 4.43Å; L378-M407 HydrophobicContact CB-SD 4.35Å; L378-M407 HydrophobicContact CD1-SD 3.84Å; M407-V413 WeakPolarHBondContact O-CA 3.3Å; M407-V414 HydrophobicContact CB-CG2 3.7Å; M407-V414 HydrophobicContact CE-CG2 3.93Å; M407-V414 HydrophobicContact CG-CG2 4.44Å; M407-V414 PolarHBondContact N-O 2.89Å; M407-V414 PolarHBondContact O-N 2.89Å; M407-L436 HydrophobicContact CB-CD1 4.25Å; M407-L436 HydrophobicContact CE-CB 3.82Å; M407-V438 HydrophobicContact CE-CB 4.06Å; M407-V438 HydrophobicContact CE-CG2 3.39Å; M407-V438 HydrophobicContact CG-CG2 4.19Å; M407-V438 HydrophobicContact SD-CG2 4.49Å; M407-V447 HydrophobicContact CG-CG1 3.23Å; M407-V447 HydrophobicContact SD-CG1 3.72Å; M407-Q448 CarbonylContact C-O 3.45Å; M407-Q448 VanDerWaalsContact CA-O 3.29Å; M407-Q448 WeakPolarHBondContact CA-O 3.44Å; M407-F449 HydrophobicContact CB-CD2 4.46Å |
| 408 | K | 82.3 | Confident | 78.5 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.1 | -171.7 | -50.8 | 177.2 | -159.9 | 158.3 | 0 | 111.2 | E345 V406 T412 V413 Q448 Y452 | E345-K408 HydrophobicContact CB-CD 4.49Å; E345-K408 IonicContact OE1-NZ 3.5Å; E345-K408 VanDerWaalsContact OE2-CE 3.29Å; E345-K408 WeakPolarHBondContact OE2-CE 3.39Å; E345-K408 IonicContact OE2-NZ 2.6Å; E345-K408 PolarHBondContact OE2-NZ 3.11Å; V406-K408 HydrophobicContact CG1-CD 4.48Å; V406-K408 HydrophobicContact CG1-CG 3.98Å; K408-T412 WeakPolarHBondContact CA-O 3.44Å; K408-V413 HydrophobicContact CG-CG1 4.25Å; K408-V413 HydrophobicContact CG-CG2 4.17Å; K408-Q448 HydrophobicContact CB-CB 4.43Å; K408-Q448 PolarHBondContact N-O 2.86Å; K408-Q448 PolarHBondContact O-N 2.7Å; K408-Y452 PolarHBondContact NZ-OH 3.45Å; K408-Y452 VanDerWaalsContact NZ-OH 3.12Å |
| 409 | Y | 77.4 | Confident | 80 | Confident | 17 Ų | 17 | 26.4 Ų | 26.4 | 7% | 0.067 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 120 | 172.4 | 175.1 | -103.1 | 0 | 0 | 0 | 108.9 | E411 T412 V438 L441 S442 H445 L446 V447 | Y409-E411 PolarHBondContact O-N 2.78Å; Y409-T412 PolarHBondContact N-O 2.91Å; Y409-T412 WeakPolarHBondContact O-CA 3.5Å; Y409-T412 VanDerWaalsContact O-CB 3.3Å; Y409-T412 WeakPolarHBondContact O-CB 3.44Å; Y409-T412 PolarHBondContact O-N 3.32Å; Y409-V438 HydrophobicContact CD1-CG1 4Å; Y409-V438 HydrophobicContact CG-CG1 4.13Å; Y409-L441 HydrophobicContact CD1-CD2 3.5Å; Y409-L441 VanDerWaalsContact CD1-CD2 3.5Å; Y409-L441 HydrophobicContact CD2-CD2 3.75Å; Y409-L441 HydrophobicContact CE1-CD2 3.61Å; Y409-L441 HydrophobicContact CE2-CD2 3.86Å; Y409-L441 HydrophobicContact CG-CD2 3.55Å; Y409-S442 PolarHBondContact OH-N 2.8Å; Y409-S442 PolarHBondContact OH-OG 3.4Å; Y409-H445 HydrophobicContact CD2-CB 4.28Å; Y409-H445 HydrophobicContact CE2-CB 3.58Å; Y409-L446 WeakPolarHBondContact CD2-O 3.39Å; Y409-V447 HydrophobicContact CD2-CG2 4.14Å; Y409-V447 HydrophobicContact CG-CG2 4.35Å |
| 410 | Q | 79.5 | Confident | 80.9 | Confident | 78 Ų | 78 | 26.1 Ų | 26.1 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -130.9 | -174 | -56.6 | 179.2 | -19.3 | 0 | 0 | 110.6 | C349 T412 | C349-Q410 WeakPolarHBondContact CB-O 3.39Å; Q410-T412 PolarHBondContact O-N 3.15Å |
| 411 | E | 81.2 | Confident | 81.3 | Confident | 42 Ų | 42 | 24.3 Ų | 24.3 | 20% | 0.196 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -12.9 | 174.5 | 68.1 | -86.7 | -160 | 0 | 0 | 114.5 | R296 L300 V350 E353 Y409 | R296-E411 IonicContact CZ-OE1 3.27Å; R296-E411 IonicContact NH1-OE1 3.44Å; R296-E411 VanDerWaalsContact NH2-CD 3.27Å; R296-E411 IonicContact NH2-OE1 2.63Å; R296-E411 PolarHBondContact NH2-OE1 3.11Å; R296-E411 IonicContact NH2-OE2 3.51Å; R296-E411 PolarHBondContact NH2-OE2 2.89Å; R296-E411 VanDerWaalsContact NH2-OE2 3.11Å; L300-E411 HydrophobicContact CD2-CB 3.85Å; L300-E411 HydrophobicContact CD2-CG 4.19Å; V350-E411 HydrophobicContact CG2-CB 4.46Å; E353-E411 HydrophobicContact CB-CB 4.29Å; E353-E411 HydrophobicContact CG-CB 4.25Å; Y409-E411 PolarHBondContact O-N 2.78Å |
| 412 | T | 82.5 | Confident | 81.1 | Confident | 42 Ų | 42 | 28.4 Ų | 28.4 | 26% | 0.258 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 123.5 | -172.6 | -58.2 | 0 | 0 | 0 | 0 | 111 | K408 Y409 Q410 V414 V438 | K408-T412 WeakPolarHBondContact CA-O 3.44Å; Y409-T412 PolarHBondContact N-O 2.91Å; Y409-T412 WeakPolarHBondContact O-CA 3.5Å; Y409-T412 VanDerWaalsContact O-CB 3.3Å; Y409-T412 WeakPolarHBondContact O-CB 3.44Å; Y409-T412 PolarHBondContact O-N 3.32Å; Q410-T412 PolarHBondContact O-N 3.15Å; T412-V414 HydrophobicContact CG2-CG1 4.24Å; T412-V438 HydrophobicContact CG2-CG1 4.48Å; T412-V438 HydrophobicContact CG2-CG2 4.39Å |
| 413 | V | 86.3 | Confident | 80.3 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.6 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | E345 R346 C349 V406 M407 K408 W415 | E345-V413 HydrophobicContact CB-CG1 4.27Å; R346-V413 HydrophobicContact CB-CG2 4.5Å; R346-V413 HydrophobicContact CG-CB 3.68Å; R346-V413 HydrophobicContact CG-CG1 4.21Å; R346-V413 HydrophobicContact CG-CG2 3.85Å; C349-V413 HydrophobicContact CB-CG2 3.87Å; V406-V413 HydrophobicContact CG1-CG1 3.58Å; M407-V413 WeakPolarHBondContact O-CA 3.3Å; K408-V413 HydrophobicContact CG-CG1 4.25Å; K408-V413 HydrophobicContact CG-CG2 4.17Å; V413-W415 WeakPolarHBondContact O-CZ3 3.41Å |
| 414 | V | 86.3 | Confident | 79.2 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 151.4 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | V406 M407 T412 L436 S437 V438 | V406-V414 CarbonylContact C-O 3.57Å; V406-V414 WeakPolarHBondContact CA-O 3.34Å; M407-V414 HydrophobicContact CB-CG2 3.7Å; M407-V414 HydrophobicContact CE-CG2 3.93Å; M407-V414 HydrophobicContact CG-CG2 4.44Å; M407-V414 PolarHBondContact N-O 2.89Å; M407-V414 PolarHBondContact O-N 2.89Å; T412-V414 HydrophobicContact CG2-CG1 4.24Å; V414-L436 HydrophobicContact CG2-CB 3.99Å; V414-L436 HydrophobicContact CG2-CD2 4.49Å; V414-S437 WeakPolarHBondContact CG1-O 3.34Å; V414-V438 HydrophobicContact CG2-CG2 3.89Å |
| 415 | W | 90.3 | Very high | 78.1 | Confident | 86 Ų | 86 | 42 Ų | 42 | 33% | 0.326 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 158.2 | -173.9 | 61.7 | 91 | 0 | 0 | 0 | 112.1 | I342 R346 I404 C405 V406 V413 L436 | I342-W415 HydrophobicContact CD1-CB 4.4Å; I342-W415 VanDerWaalsContact CD1-CD1 3.47Å; I342-W415 HydrophobicContact CD1-CD2 3.79Å; I342-W415 HydrophobicContact CD1-CG 3.63Å; I342-W415 HydrophobicContact CG1-CB 4.32Å; I342-W415 HydrophobicContact CG1-CD2 4.03Å; I342-W415 HydrophobicContact CG1-CE3 4.44Å; I342-W415 HydrophobicContact CG1-CG 3.94Å; I342-W415 HydrophobicContact CG2-CD2 3.81Å; I342-W415 HydrophobicContact CG2-CE3 3.5Å; I342-W415 HydrophobicContact CG2-CH2 3.93Å; I342-W415 HydrophobicContact CG2-CZ2 4.2Å; I342-W415 HydrophobicContact CG2-CZ3 3.57Å; R346-W415 VanDerWaalsContact CZ-CH2 3.47Å; R346-W415 VanDerWaalsContact CZ-CZ3 3.42Å; I404-W415 HydrophobicContact CD1-CB 4.2Å; I404-W415 HydrophobicContact CD1-CG 4.43Å; I404-W415 HydrophobicContact CG1-CB 4.48Å; C405-W415 CarbonylContact O-C 3.6Å; C405-W415 WeakPolarHBondContact O-CA 3.22Å; C405-W415 WeakPolarHBondContact O-CB 3.48Å; V406-W415 HydrophobicContact CG2-CB 4.16Å; V413-W415 WeakPolarHBondContact O-CZ3 3.41Å; W415-L436 VanDerWaalsContact O-CD2 3.23Å; W415-L436 WeakPolarHBondContact O-CD2 3.49Å |
| 416 | S | 88.6 | Confident | 76.7 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | trans | -84.4 | 174.4 | 176.6 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | C405 F432 | C405-S416 PolarHBondContact N-OG 2.82Å; C405-S416 PolarHBondContact O-N 2.81Å; S416-F432 WeakPolarHBondContact OG-CD1 3.32Å; S416-F432 VanDerWaalsContact OG-CE1 3.29Å; S416-F432 WeakPolarHBondContact OG-CE1 3.23Å | ||
| 417 | E | 87.8 | Confident | 75.5 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 158.2 | 161.5 | 78.5 | -81.5 | -157.3 | 0 | 0 | 111.6 | I419 K424 F432 Q433 A434 | E417-I419 HydrophobicContact CG-CG1 4.06Å; E417-K424 IonicContact OE1-NZ 2.8Å; E417-K424 PolarHBondContact OE1-NZ 2.8Å; E417-F432 WeakPolarHBondContact OE1-CA 3.27Å; E417-Q433 PolarHBondContact OE1-N 3.19Å; E417-A434 VanDerWaalsContact OE2-CB 3.27Å; E417-A434 WeakPolarHBondContact OE2-CB 3.23Å; E417-A434 PolarHBondContact OE2-N 3.24Å |
| 418 | V | 84.2 | Confident | 74.7 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 119.6 | 169.9 | 180 | 0 | 0 | 0 | 0 | 109.1 | I334 A338 A402 F403 I404 Y420 M454 | I334-V418 HydrophobicContact CG2-CG1 3.85Å; A338-V418 HydrophobicContact CB-CG2 3.48Å; A338-V418 VanDerWaalsContact CB-CG2 3.48Å; A402-V418 HydrophobicContact CB-CG1 3.79Å; F403-V418 CarbonylContact O-C 3.5Å; F403-V418 WeakPolarHBondContact O-CA 3.49Å; I404-V418 HydrophobicContact CD1-CG2 4.16Å; V418-Y420 HydrophobicContact CG1-CE2 4.33Å; V418-M454 HydrophobicContact CG1-CE 3.94Å; V418-M454 HydrophobicContact CG2-CE 4.38Å |
| 419 | I | 79.4 | Confident | 74 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.8 | 176.9 | -63 | -173.4 | 0 | 0 | 0 | 110 | A402 F403 E417 K424 L430 E431 F432 | A402-I419 CarbonylContact C-O 3.54Å; A402-I419 WeakPolarHBondContact CA-O 3.23Å; F403-I419 PolarHBondContact N-O 3.19Å; F403-I419 PolarHBondContact O-N 3.42Å; E417-I419 HydrophobicContact CG-CG1 4.06Å; I419-K424 HydrophobicContact CD1-CD 4.18Å; I419-K424 HydrophobicContact CG1-CD 4.11Å; I419-K424 HydrophobicContact CG2-CB 3.76Å; I419-K424 HydrophobicContact CG2-CD 4.09Å; I419-K424 HydrophobicContact CG2-CG 4.34Å; I419-L430 HydrophobicContact CG2-CD2 4.06Å; I419-E431 WeakPolarHBondContact CD1-O 3.16Å; I419-F432 HydrophobicContact CB-CE1 4.25Å; I419-F432 HydrophobicContact CD1-CB 4.11Å; I419-F432 HydrophobicContact CD1-CD1 3.26Å; I419-F432 HydrophobicContact CD1-CD2 3.89Å; I419-F432 HydrophobicContact CD1-CE1 3.49Å; I419-F432 VanDerWaalsContact CD1-CE1 3.49Å; I419-F432 HydrophobicContact CD1-CE2 4.06Å; I419-F432 HydrophobicContact CD1-CG 3.48Å; I419-F432 VanDerWaalsContact CD1-CG 3.48Å; I419-F432 HydrophobicContact CD1-CZ 3.89Å; I419-F432 HydrophobicContact CG1-CD1 3.71Å; I419-F432 HydrophobicContact CG1-CE1 3.7Å; I419-F432 HydrophobicContact CG1-CG 4.41Å; I419-F432 HydrophobicContact CG1-CZ 4.37Å |
| 420 | Y | 76.2 | Confident | 73.7 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.7 | 170.6 | -62.4 | -91.8 | 0 | 0 | 0 | 109.8 | T331 I334 A402 V418 E422 R423 K424 | T331-Y420 HydrophobicContact CG2-CE1 4.16Å; T331-Y420 PolarHBondContact O-OH 2.87Å; I334-Y420 HydrophobicContact CB-CE1 4.06Å; I334-Y420 HydrophobicContact CD1-CD1 4.19Å; I334-Y420 HydrophobicContact CD1-CE1 3.62Å; I334-Y420 HydrophobicContact CG1-CE1 4.43Å; I334-Y420 HydrophobicContact CG2-CE1 3.78Å; A402-Y420 HydrophobicContact CB-CD1 4.11Å; A402-Y420 HydrophobicContact CB-CE1 4.27Å; V418-Y420 HydrophobicContact CG1-CE2 4.33Å; Y420-E422 PolarHBondContact O-N 3.18Å; Y420-E422 VanDerWaalsContact O-N 3.16Å; Y420-R423 PolarHBondContact O-N 3.48Å; Y420-K424 PolarHBondContact O-N 2.7Å |
| 421 | F | 71.2 | Confident | 73.4 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -51.1 | -40.9 | 177.8 | -176 | -95.3 | 0 | 0 | 0 | 112.3 | L385 I391 A395 Y401 F403 R423 L425 | L385-F421 HydrophobicContact CD1-CD2 4.05Å; L385-F421 HydrophobicContact CD1-CE2 3.78Å; I391-F421 HydrophobicContact CG2-CD2 4.33Å; I391-F421 HydrophobicContact CG2-CE1 4.15Å; I391-F421 HydrophobicContact CG2-CE2 3.53Å; I391-F421 HydrophobicContact CG2-CZ 3.44Å; I391-F421 VanDerWaalsContact CG2-CZ 3.44Å; A395-F421 HydrophobicContact CB-CD1 4.07Å; A395-F421 HydrophobicContact CB-CE1 3.87Å; Y401-F421 PolarHBondContact O-N 3.03Å; F403-F421 HydrophobicContact CE2-CB 4.01Å; F403-F421 HydrophobicContact CE2-CD2 4.02Å; F403-F421 HydrophobicContact CZ-CD2 4.38Å; F421-R423 VanDerWaalsContact C-N 3.28Å; F421-R423 PolarHBondContact O-N 3.06Å; F421-L425 HydrophobicContact CD2-CD1 4.01Å; F421-L425 HydrophobicContact CE2-CD1 3.58Å; F421-L425 HydrophobicContact CZ-CD1 4.01Å; F421-L425 HydrophobicContact CZ-CD2 4.32Å |
| 422 | E | 65.1 | Low | 73.2 | Confident | 115 Ų | 115 | 63.9 Ų | 63.9 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67 | -22 | -178.3 | -64.1 | 174.7 | 175.2 | 0 | 0 | 114.2 | Y420 | Y420-E422 PolarHBondContact O-N 3.18Å; Y420-E422 VanDerWaalsContact O-N 3.16Å |
| 423 | R | 58.9 | Low | 73.1 | Confident | 186 Ų | 186 | 69.7 Ų | 69.7 | 70% | 0.702 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -108.8 | -23.5 | -167.4 | -70.5 | -172.8 | 177 | -174.6 | -1.3 | 115.5 | Y420 F421 | Y420-R423 PolarHBondContact O-N 3.48Å; F421-R423 VanDerWaalsContact C-N 3.28Å; F421-R423 PolarHBondContact O-N 3.06Å |
| 424 | K | 57.2 | Low | 72.7 | Confident | 48 Ų | 48 | 70.5 Ų | 70.5 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -134 | 26.1 | -173.3 | -68.1 | -171.3 | 166.6 | -168.1 | 0 | 113.8 | E417 I419 Y420 F426 Q433 | E417-K424 IonicContact OE1-NZ 2.8Å; E417-K424 PolarHBondContact OE1-NZ 2.8Å; I419-K424 HydrophobicContact CD1-CD 4.18Å; I419-K424 HydrophobicContact CG1-CD 4.11Å; I419-K424 HydrophobicContact CG2-CB 3.76Å; I419-K424 HydrophobicContact CG2-CD 4.09Å; I419-K424 HydrophobicContact CG2-CG 4.34Å; Y420-K424 PolarHBondContact O-N 2.7Å; K424-F426 PolarHBondContact O-N 2.92Å; K424-F426 VanDerWaalsContact O-N 3.08Å; K424-Q433 VanDerWaalsContact NZ-OE1 3.15Å |
| 425 | L | 58.1 | Low | 72.3 | Confident | 66 Ų | 66 | 76.7 Ų | 76.7 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 90.5 | 171.8 | -160 | 92.7 | 0 | 0 | 0 | 109.8 | L385 F421 | L385-L425 HydrophobicContact CD1-CD1 3.55Å; F421-L425 HydrophobicContact CD2-CD1 4.01Å; F421-L425 HydrophobicContact CE2-CD1 3.58Å; F421-L425 HydrophobicContact CZ-CD1 4.01Å; F421-L425 HydrophobicContact CZ-CD2 4.32Å |
| 426 | F | 53.4 | Low | 71.8 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 55% | 0.553 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.3 | 169.5 | -73.3 | -84.5 | 0 | 0 | 0 | 108.6 | K424 K428 R429 | K424-F426 PolarHBondContact O-N 2.92Å; K424-F426 VanDerWaalsContact O-N 3.08Å; F426-K428 VanDerWaalsContact C-N 3.29Å; F426-K428 PolarHBondContact O-N 3Å; F426-K428 VanDerWaalsContact O-N 3.11Å; F426-R429 PolarHBondContact N-O 3.37Å; F426-R429 WeakPolarHBondContact O-CB 3.5Å; F426-R429 PolarHBondContact O-N 2.76Å |
| 427 | N | 58.2 | Low | 71.3 | Confident | 153 Ų | 153 | 74.7 Ų | 74.7 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.1 | 175.5 | -68.3 | -19.6 | 0 | 0 | 0 | 115.3 | R429 | N427-R429 VanDerWaalsContact C-N 3.29Å; N427-R429 PolarHBondContact O-N 3.21Å |
| 428 | K | 64.1 | Low | 70.7 | Confident | 119 Ų | 119 | 72.1 Ų | 72.1 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 30.5 | -176.1 | -50.3 | 173.1 | -180 | 169 | 0 | 113.3 | L385 P387 F426 | L385-K428 WeakPolarHBondContact CA-O 3.34Å; L385-K428 WeakPolarHBondContact CB-O 3.47Å; L385-K428 PolarHBondContact N-O 3.15Å; P387-K428 HydrophobicContact CB-CD 4.08Å; F426-K428 VanDerWaalsContact C-N 3.29Å; F426-K428 PolarHBondContact O-N 3Å; F426-K428 VanDerWaalsContact O-N 3.11Å |
| 429 | R | 67.3 | Low | 70.2 | Confident | 127 Ų | 127 | 73 Ų | 73 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.9 | 176.9 | -54.6 | 179.6 | 177.4 | -174.4 | -3.1 | 109.9 | V382 P384 F426 N427 E431 | V382-R429 HydrophobicContact CG1-CB 3.93Å; V382-R429 HydrophobicContact CG1-CG 4.28Å; P384-R429 HydrophobicContact CB-CG 4.22Å; F426-R429 PolarHBondContact N-O 3.37Å; F426-R429 WeakPolarHBondContact O-CB 3.5Å; F426-R429 PolarHBondContact O-N 2.76Å; N427-R429 VanDerWaalsContact C-N 3.29Å; N427-R429 PolarHBondContact O-N 3.21Å; R429-E431 HydrophobicContact CB-CG 4.48Å |
| 430 | L | 71.2 | Confident | 69.7 | Low | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.9 | 164.8 | -61.2 | 170.6 | 0 | 0 | 0 | 107.6 | V382 I383 L385 F403 I419 F432 | V382-L430 WeakPolarHBondContact CA-O 3.39Å; I383-L430 HydrophobicContact CB-CB 4.26Å; I383-L430 PolarHBondContact N-O 3.35Å; I383-L430 PolarHBondContact O-N 3.35Å; L385-L430 HydrophobicContact CD1-CD1 3.96Å; L385-L430 HydrophobicContact CD1-CD2 3.88Å; L385-L430 HydrophobicContact CD1-CG 3.6Å; L385-L430 HydrophobicContact CD2-CD1 3.92Å; L385-L430 HydrophobicContact CD2-CG 4.33Å; L385-L430 HydrophobicContact CG-CD1 4.1Å; L385-L430 HydrophobicContact CG-CG 3.93Å; F403-L430 HydrophobicContact CB-CD1 4.1Å; F403-L430 HydrophobicContact CD1-CD1 3.57Å; F403-L430 HydrophobicContact CD2-CD1 3.63Å; F403-L430 HydrophobicContact CD2-CD2 3.83Å; F403-L430 HydrophobicContact CD2-CG 4.4Å; F403-L430 HydrophobicContact CE1-CD1 3.81Å; F403-L430 HydrophobicContact CE2-CD1 3.86Å; F403-L430 HydrophobicContact CE2-CD2 3.97Å; F403-L430 HydrophobicContact CG-CD1 3.48Å; F403-L430 VanDerWaalsContact CG-CD1 3.48Å; F403-L430 HydrophobicContact CG-CD2 4.47Å; F403-L430 HydrophobicContact CZ-CD1 3.95Å; I419-L430 HydrophobicContact CG2-CD2 4.06Å; L430-F432 HydrophobicContact CB-CE2 4.16Å |
| 431 | E | 74.1 | Confident | 69.3 | Low | 79 Ų | 79 | 76.8 Ų | 76.8 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 113.5 | 179.9 | -62.4 | -174 | 174.1 | 0 | 0 | 109.7 | V382 I419 R429 | V382-E431 HydrophobicContact CG1-CG 4.26Å; V382-E431 HydrophobicContact CG2-CG 4.17Å; I419-E431 WeakPolarHBondContact CD1-O 3.16Å; R429-E431 HydrophobicContact CB-CG 4.48Å |
| 432 | F | 77.4 | Confident | 69 | Low | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.6 | 173.9 | -55.3 | -101.6 | 0 | 0 | 0 | 110.4 | I381 I383 F403 C405 S416 E417 I419 L430 L451 | I381-F432 HydrophobicContact CB-CB 4.06Å; I381-F432 HydrophobicContact CB-CD2 4.1Å; I381-F432 HydrophobicContact CB-CG 4.44Å; I381-F432 HydrophobicContact CG2-CD2 4.04Å; I381-F432 PolarHBondContact O-N 2.95Å; I383-F432 HydrophobicContact CD1-CE2 3.7Å; I383-F432 HydrophobicContact CD1-CZ 4.45Å; I383-F432 HydrophobicContact CG1-CE2 4.11Å; F403-F432 HydrophobicContact CB-CZ 4.03Å; C405-F432 WeakPolarHBondContact SG-CE2 3.42Å; C405-F432 WeakPolarHBondContact SG-CZ 3.37Å; S416-F432 WeakPolarHBondContact OG-CD1 3.32Å; S416-F432 VanDerWaalsContact OG-CE1 3.29Å; S416-F432 WeakPolarHBondContact OG-CE1 3.23Å; E417-F432 WeakPolarHBondContact OE1-CA 3.27Å; I419-F432 HydrophobicContact CB-CE1 4.25Å; I419-F432 HydrophobicContact CD1-CB 4.11Å; I419-F432 HydrophobicContact CD1-CD1 3.26Å; I419-F432 HydrophobicContact CD1-CD2 3.89Å; I419-F432 HydrophobicContact CD1-CE1 3.49Å; I419-F432 VanDerWaalsContact CD1-CE1 3.49Å; I419-F432 HydrophobicContact CD1-CE2 4.06Å; I419-F432 HydrophobicContact CD1-CG 3.48Å; I419-F432 VanDerWaalsContact CD1-CG 3.48Å; I419-F432 HydrophobicContact CD1-CZ 3.89Å; I419-F432 HydrophobicContact CG1-CD1 3.71Å; I419-F432 HydrophobicContact CG1-CE1 3.7Å; I419-F432 HydrophobicContact CG1-CG 4.41Å; I419-F432 HydrophobicContact CG1-CZ 4.37Å; L430-F432 HydrophobicContact CB-CE2 4.16Å; F432-L451 HydrophobicContact CZ-CD1 4.13Å |
| 433 | Q | 80.4 | Confident | 68.6 | Low | 164 Ų | 164 | 74.9 Ų | 74.9 | 77% | 0.766 | 36% | 0.359 | S | S | * | . | trans | -88 | -16.1 | 178.6 | -69.7 | 171.4 | -26.7 | 0 | 0 | 111.8 | E417 K424 R435 | E417-Q433 PolarHBondContact OE1-N 3.19Å; K424-Q433 VanDerWaalsContact NZ-OE1 3.15Å; Q433-R435 PolarHBondContact O-N 3.3Å | ||
| 434 | A | 76.4 | Confident | 68.8 | Low | 22 Ų | 22 | 72.5 Ų | 72.5 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 135 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E417 L436 | E417-A434 VanDerWaalsContact OE2-CB 3.27Å; E417-A434 WeakPolarHBondContact OE2-CB 3.23Å; E417-A434 PolarHBondContact OE2-N 3.24Å; A434-L436 HydrophobicContact CB-CD2 4.13Å |
| 435 | R | 79.9 | Confident | 69.2 | Low | 160 Ų | 160 | 70.3 Ų | 70.3 | 60% | 0.604 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 116.3 | 160.1 | 178.8 | 177.2 | 174.5 | 176.9 | -0.2 | 108 | D377 L378 W379 Q433 | D377-R435 VanDerWaalsContact CG-NH2 3.26Å; D377-R435 IonicContact OD1-CZ 3.69Å; D377-R435 IonicContact OD1-NE 3.86Å; D377-R435 PolarHBondContact OD1-NE 3.37Å; D377-R435 IonicContact OD1-NH2 2.72Å; D377-R435 IonicContact OD2-CZ 2.7Å; D377-R435 IonicContact OD2-NE 3.48Å; D377-R435 IonicContact OD2-NH2 3.11Å; D377-R435 PolarHBondContact OD2-NH2 3.44Å; L378-R435 CarbonylContact O-C 3.58Å; L378-R435 WeakPolarHBondContact O-CA 3.17Å; W379-R435 HydrophobicContact CB-CB 4.49Å; W379-R435 HydrophobicContact CB-CG 4.38Å; Q433-R435 PolarHBondContact O-N 3.3Å |
| 436 | L | 79.4 | Confident | 69.6 | Low | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.9 | 175.8 | -54.5 | -175.7 | 0 | 0 | 0 | 108.5 | L378 I381 C405 M407 V414 W415 A434 F449 | L378-L436 HydrophobicContact CB-CB 4.39Å; L378-L436 PolarHBondContact N-O 3.31Å; L378-L436 PolarHBondContact O-N 3.37Å; I381-L436 HydrophobicContact CD1-CD1 3.82Å; I381-L436 HydrophobicContact CD1-CG 4.14Å; C405-L436 HydrophobicContact CB-CD1 4.45Å; M407-L436 HydrophobicContact CB-CD1 4.25Å; M407-L436 HydrophobicContact CE-CB 3.82Å; V414-L436 HydrophobicContact CG2-CB 3.99Å; V414-L436 HydrophobicContact CG2-CD2 4.49Å; W415-L436 VanDerWaalsContact O-CD2 3.23Å; W415-L436 WeakPolarHBondContact O-CD2 3.49Å; A434-L436 HydrophobicContact CB-CD2 4.13Å; L436-F449 HydrophobicContact CD1-CE2 4.26Å |
| 437 | S | 77.1 | Confident | 70.3 | Confident | 45 Ų | 45 | 66 Ų | 66 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128 | -178.4 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | T375 L376 D377 V414 | T375-S437 WeakPolarHBondContact CG2-OG 3.35Å; L376-S437 CarbonylContact O-C 3.57Å; L376-S437 VanDerWaalsContact O-CA 3.31Å; L376-S437 WeakPolarHBondContact O-CA 3.48Å; D377-S437 WeakPolarHBondContact OD1-CB 3.33Å; D377-S437 PolarHBondContact OD1-OG 2.9Å; V414-S437 WeakPolarHBondContact CG1-O 3.34Å |
| 438 | V | 75.5 | Confident | 71 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 110.3 | 172.6 | 172.9 | 0 | 0 | 0 | 0 | 108.1 | T375 L376 M407 Y409 T412 V414 L441 | T375-V438 WeakPolarHBondContact CA-O 3.41Å; L376-V438 PolarHBondContact N-O 2.89Å; L376-V438 PolarHBondContact O-N 3.41Å; M407-V438 HydrophobicContact CE-CB 4.06Å; M407-V438 HydrophobicContact CE-CG2 3.39Å; M407-V438 HydrophobicContact CG-CG2 4.19Å; M407-V438 HydrophobicContact SD-CG2 4.49Å; Y409-V438 HydrophobicContact CD1-CG1 4Å; Y409-V438 HydrophobicContact CG-CG1 4.13Å; T412-V438 HydrophobicContact CG2-CG1 4.48Å; T412-V438 HydrophobicContact CG2-CG2 4.39Å; V414-V438 HydrophobicContact CG2-CG2 3.89Å; V438-L441 HydrophobicContact CG1-CD2 3.57Å; V438-L441 HydrophobicContact CG1-CG 4.16Å |
| 439 | P | 73.8 | Confident | 71.6 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 172.7 | 178 | 34.8 | -35.4 | 0 | 0 | 0 | 112 | G374 L441 | G374-P439 CarbonylContact O-C 3.52Å; P439-L441 VanDerWaalsContact C-N 3.29Å; P439-L441 PolarHBondContact O-N 3.28Å |
| 440 | N | 69.6 | Low | 72 | Confident | 116 Ų | 116 | 49.8 Ų | 49.8 | 62% | 0.62 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 59 | 33.7 | 169.9 | -57.9 | -39.3 | 0 | 0 | 0 | 115.3 | G374 | G374-N440 PolarHBondContact O-N 3.48Å |
| 441 | L | 67.5 | Low | 72.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 134.6 | 175 | -64.8 | 177.3 | 0 | 0 | 0 | 110.5 | S373 G374 L376 Y409 V438 P439 H445 V447 F505 | S373-L441 WeakPolarHBondContact CA-O 3.42Å; G374-L441 PolarHBondContact N-O 3.33Å; G374-L441 PolarHBondContact O-N 3.44Å; L376-L441 HydrophobicContact CB-CD1 3.29Å; Y409-L441 HydrophobicContact CD1-CD2 3.5Å; Y409-L441 VanDerWaalsContact CD1-CD2 3.5Å; Y409-L441 HydrophobicContact CD2-CD2 3.75Å; Y409-L441 HydrophobicContact CE1-CD2 3.61Å; Y409-L441 HydrophobicContact CE2-CD2 3.86Å; Y409-L441 HydrophobicContact CG-CD2 3.55Å; V438-L441 HydrophobicContact CG1-CD2 3.57Å; V438-L441 HydrophobicContact CG1-CG 4.16Å; P439-L441 VanDerWaalsContact C-N 3.29Å; P439-L441 PolarHBondContact O-N 3.28Å; L441-H445 HydrophobicContact CB-CB 3.99Å; L441-H445 HydrophobicContact CD2-CB 3.88Å; L441-H445 HydrophobicContact CG-CB 4.41Å; L441-V447 HydrophobicContact CD1-CG2 4.26Å; L441-V447 HydrophobicContact CD2-CG2 3.72Å; L441-F505 HydrophobicContact CB-CE2 4.36Å; L441-F505 WeakPolarHBondContact O-CZ 3.33Å |
| 442 | S | 64.7 | Low | 72.3 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 32% | 0.315 | 25% | 0.246 | S | C | . | . | trans | -71.5 | 162.6 | 167.5 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | Y409 D444 H445 | Y409-S442 PolarHBondContact OH-N 2.8Å; Y409-S442 PolarHBondContact OH-OG 3.4Å; S442-D444 PolarHBondContact O-N 2.9Å; S442-H445 WeakPolarHBondContact O-CB 3.15Å; S442-H445 PolarHBondContact O-N 2.99Å; S442-H445 PolarHBondContact O-ND1 2.94Å | ||
| 443 | P | 56.5 | Low | 71.9 | Confident | 51 Ų | 51 | 48 Ų | 48 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -38.6 | 172.9 | -27.8 | 36.4 | 0 | 0 | 0 | 113.1 | C372 H445 F505 | C372-P443 HydrophobicContact CB-CG 3.69Å; P443-H445 VanDerWaalsContact C-N 3.34Å; P443-H445 PolarHBondContact O-N 2.68Å; P443-F505 HydrophobicContact CG-CE1 4.5Å |
| 444 | D | 63.1 | Low | 71.4 | Confident | 136 Ų | 136 | 40.3 Ų | 40.3 | 73% | 0.727 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 36.3 | -176.4 | -47.7 | -35.8 | 0 | 0 | 0 | 111.8 | S442 | S442-D444 PolarHBondContact O-N 2.9Š|
| 445 | H | 64.8 | Low | 70.7 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | trans | -68.5 | 143.6 | -175.2 | 61 | -85.2 | 0 | 0 | 0 | 112.5 | Y409 L441 S442 P443 L476 F505 | Y409-H445 HydrophobicContact CD2-CB 4.28Å; Y409-H445 HydrophobicContact CE2-CB 3.58Å; L441-H445 HydrophobicContact CB-CB 3.99Å; L441-H445 HydrophobicContact CD2-CB 3.88Å; L441-H445 HydrophobicContact CG-CB 4.41Å; S442-H445 WeakPolarHBondContact O-CB 3.15Å; S442-H445 PolarHBondContact O-N 2.99Å; S442-H445 PolarHBondContact O-ND1 2.94Å; P443-H445 VanDerWaalsContact C-N 3.34Å; P443-H445 PolarHBondContact O-N 2.68Å; H445-L476 WeakPolarHBondContact NE2-CB 3.31Å; H445-L476 WeakPolarHBondContact NE2-CD1 3.44Å; H445-F505 AromaticContact CE1-CE2 3.95Å | ||
| 446 | L | 67.4 | Low | 69.6 | Low | 96 Ų | 96 | 33.6 Ų | 33.6 | 50% | 0.503 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 101 | 169.8 | -159.8 | 78.6 | 0 | 0 | 0 | 109 | Y409 S472 C473 | Y409-L446 WeakPolarHBondContact CD2-O 3.39Å; L446-S472 WeakPolarHBondContact CD1-OG 3.33Å; L446-S472 WeakPolarHBondContact CD2-OG 3.48Å; L446-S472 WeakPolarHBondContact CG-OG 3.22Å; L446-C473 WeakPolarHBondContact CA-O 3.34Å |
| 447 | V | 67.5 | Low | 68.2 | Low | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.7 | 177 | 175.6 | 0 | 0 | 0 | 0 | 109 | L376 M407 Y409 L441 C473 | L376-V447 HydrophobicContact CD2-CB 4.12Å; L376-V447 HydrophobicContact CD2-CG1 3.99Å; L376-V447 HydrophobicContact CD2-CG2 3.97Å; M407-V447 HydrophobicContact CG-CG1 3.23Å; M407-V447 HydrophobicContact SD-CG1 3.72Å; Y409-V447 HydrophobicContact CD2-CG2 4.14Å; Y409-V447 HydrophobicContact CG-CG2 4.35Å; L441-V447 HydrophobicContact CD1-CG2 4.26Å; L441-V447 HydrophobicContact CD2-CG2 3.72Å; V447-C473 PolarHBondContact N-O 3.05Å; V447-C473 PolarHBondContact O-N 3.29Å |
| 448 | Q | 73.2 | Confident | 66.4 | Low | 49 Ų | 49 | 38.3 Ų | 38.3 | 23% | 0.229 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119 | 175.1 | -175.1 | -176.4 | -43.1 | 0 | 0 | 110.2 | M407 K408 S450 R470 Y471 | M407-Q448 CarbonylContact C-O 3.45Å; M407-Q448 VanDerWaalsContact CA-O 3.29Å; M407-Q448 WeakPolarHBondContact CA-O 3.44Å; K408-Q448 HydrophobicContact CB-CB 4.43Å; K408-Q448 PolarHBondContact N-O 2.86Å; K408-Q448 PolarHBondContact O-N 2.7Å; Q448-S450 PolarHBondContact NE2-OG 2.62Å; Q448-S450 VanDerWaalsContact NE2-OG 3.09Å; Q448-R470 HydrophobicContact CG-CB 4.43Å; Q448-Y471 CarbonylContact C-O 3.5Å; Q448-Y471 VanDerWaalsContact CA-O 3.26Å; Q448-Y471 WeakPolarHBondContact CA-O 3.37Å |
| 449 | F | 76.2 | Confident | 64.4 | Low | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.9 | 168.2 | -179.3 | -92.5 | 0 | 0 | 0 | 110.1 | L378 I381 C405 V406 M407 L436 R470 Y471 M497 | L378-F449 HydrophobicContact CD1-CD2 4.37Å; I381-F449 HydrophobicContact CD1-CE2 4.23Å; I381-F449 HydrophobicContact CG2-CZ 4.15Å; C405-F449 HydrophobicContact CB-CE2 3.82Å; C405-F449 HydrophobicContact CB-CZ 3.72Å; V406-F449 CarbonylContact O-C 3.55Å; V406-F449 WeakPolarHBondContact O-CA 3.44Å; M407-F449 HydrophobicContact CB-CD2 4.46Å; L436-F449 HydrophobicContact CD1-CE2 4.26Å; F449-R470 CarbonylContact O-C 3.5Å; F449-R470 WeakPolarHBondContact O-CA 3.36Å; F449-Y471 AromaticContact CD1-CD2 3.76Å; F449-Y471 HydrophobicContact CD1-CD2 3.76Å; F449-Y471 HydrophobicContact CD1-CE2 4.34Å; F449-Y471 HydrophobicContact CE1-CD2 4.5Å; F449-Y471 PolarHBondContact N-O 3.46Å; F449-Y471 PolarHBondContact O-N 3.42Å; F449-M497 HydrophobicContact CE1-SD 4.08Å |
| 450 | S | 77.4 | Confident | 62.3 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 122.2 | -176 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | C405 V406 Q448 I469 | C405-S450 CarbonylContact C-O 3.49Å; C405-S450 WeakPolarHBondContact CA-O 3.4Å; V406-S450 PolarHBondContact N-O 3.39Å; V406-S450 PolarHBondContact O-N 2.95Å; Q448-S450 PolarHBondContact NE2-OG 2.62Å; Q448-S450 VanDerWaalsContact NE2-OG 3.09Å; S450-I469 VanDerWaalsContact CA-O 3.26Å; S450-I469 WeakPolarHBondContact CA-O 3.3Å |
| 451 | L | 76.6 | Confident | 60.2 | Low | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.9 | 167.4 | 178.7 | 67.2 | 0 | 0 | 0 | 109.2 | I383 F403 F432 I469 | I383-L451 HydrophobicContact CD1-CD1 3.65Å; I383-L451 HydrophobicContact CD1-CD2 3.76Å; I383-L451 HydrophobicContact CD1-CG 4.17Å; I383-L451 HydrophobicContact CG2-CD2 4.31Å; F403-L451 HydrophobicContact CB-CD1 4.36Å; F403-L451 HydrophobicContact CD1-CD1 4.48Å; F432-L451 HydrophobicContact CZ-CD1 4.13Å; L451-I469 HydrophobicContact CD2-CD1 4.23Å; L451-I469 PolarHBondContact N-O 3.44Å; L451-I469 PolarHBondContact O-N 2.89Å |
| 452 | Y | 73.7 | Confident | 58.4 | Low | 10 Ų | 10 | 51.2 Ų | 51.2 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 140 | 172.5 | -63.1 | -91.1 | 0 | 0 | 0 | 111 | L341 E345 F403 I404 V406 K408 | L341-Y452 HydrophobicContact CD1-CD1 3.55Å; L341-Y452 HydrophobicContact CD1-CD2 4.37Å; L341-Y452 HydrophobicContact CD1-CE1 3.95Å; L341-Y452 HydrophobicContact CD1-CG 3.75Å; L341-Y452 HydrophobicContact CD2-CD1 4.46Å; L341-Y452 HydrophobicContact CD2-CD2 3.93Å; L341-Y452 HydrophobicContact CD2-CE1 4.49Å; L341-Y452 HydrophobicContact CD2-CE2 4.01Å; L341-Y452 HydrophobicContact CD2-CG 4.15Å; L341-Y452 HydrophobicContact CG-CD1 4.46Å; L341-Y452 HydrophobicContact CG-CE1 4.48Å; E345-Y452 PolarHBondContact OE1-OH 2.97Å; F403-Y452 WeakPolarHBondContact CA-O 3.19Å; I404-Y452 HydrophobicContact CG2-CD2 4.46Å; I404-Y452 PolarHBondContact N-O 2.72Å; I404-Y452 PolarHBondContact O-N 2.9Å; V406-Y452 HydrophobicContact CB-CD2 4.37Å; V406-Y452 HydrophobicContact CB-CE2 3.88Å; V406-Y452 HydrophobicContact CG2-CD2 3.78Å; V406-Y452 HydrophobicContact CG2-CE2 3.64Å; K408-Y452 PolarHBondContact NZ-OH 3.45Å; K408-Y452 VanDerWaalsContact NZ-OH 3.12Å |
| 453 | V | 69.9 | Low | 56.5 | Low | 30 Ų | 30 | 51.3 Ų | 51.3 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.7 | 173.4 | -169.9 | 0 | 0 | 0 | 0 | 108.8 | Y401 A402 F403 V455 | Y401-V453 HydrophobicContact CD1-CG1 4.15Å; A402-V453 CarbonylContact O-C 3.58Å; A402-V453 WeakPolarHBondContact O-CA 3.5Å; F403-V453 HydrophobicContact CD1-CB 4.34Å; F403-V453 HydrophobicContact CD1-CG1 4.16Å; F403-V453 HydrophobicContact CD1-CG2 3.74Å; F403-V453 HydrophobicContact CE1-CB 4.24Å; F403-V453 HydrophobicContact CE1-CG1 3.73Å; F403-V453 HydrophobicContact CE1-CG2 3.63Å; F403-V453 HydrophobicContact CZ-CG1 4.22Å; V453-V455 HydrophobicContact CG1-CG2 4.38Å |
| 454 | M | 69.3 | Low | 55.3 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.6 | 174.9 | -65.6 | 175.8 | -77.6 | 0 | 0 | 108.9 | I334 R337 A338 Y401 A402 I404 V418 F466 | I334-M454 HydrophobicContact CG2-CE 4.01Å; I334-M454 HydrophobicContact CG2-SD 4.38Å; R337-M454 HydrophobicContact CB-SD 3.61Å; A338-M454 HydrophobicContact CB-CE 4.07Å; A338-M454 HydrophobicContact CB-SD 4.34Å; Y401-M454 CarbonylContact C-O 3.59Å; Y401-M454 WeakPolarHBondContact CA-O 3.5Å; A402-M454 HydrophobicContact CB-CB 4.34Å; A402-M454 HydrophobicContact CB-CE 4.07Å; A402-M454 PolarHBondContact N-O 2.94Å; A402-M454 PolarHBondContact O-N 2.51Å; I404-M454 HydrophobicContact CG2-CE 4.12Å; V418-M454 HydrophobicContact CG1-CE 3.94Å; V418-M454 HydrophobicContact CG2-CE 4.38Å; M454-F466 HydrophobicContact CG-CE1 4.32Å |
| 455 | V | 62.1 | Low | 53.5 | Low | 24 Ų | 24 | 52.4 Ų | 52.4 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.1 | 177.6 | -168.9 | 0 | 0 | 0 | 0 | 109 | R337 K399 Y401 V453 L457 | R337-V455 PolarHBondContact NH1-O 3.48Å; R337-V455 VanDerWaalsContact NH1-O 3.11Å; K399-V455 HydrophobicContact CB-CG1 4.37Å; Y401-V455 HydrophobicContact CD1-CB 4.46Å; Y401-V455 HydrophobicContact CD1-CG1 4.31Å; Y401-V455 HydrophobicContact CD1-CG2 3.65Å; Y401-V455 HydrophobicContact CE1-CB 4.34Å; Y401-V455 HydrophobicContact CE1-CG1 3.92Å; Y401-V455 HydrophobicContact CE1-CG2 3.52Å; V453-V455 HydrophobicContact CG1-CG2 4.38Å; V455-L457 HydrophobicContact CG1-CD2 4.48Å; V455-L457 HydrophobicContact CG1-CG 4.31Å |
| 456 | N | 56.6 | Low | 51.7 | Low | 16 Ų | 16 | 57 Ų | 57 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 112.4 | 167.2 | -146.1 | 6.8 | 0 | 0 | 0 | 109.7 | L330 R337 K400 | L330-N456 HydrophobicContact CD2-CB 4.16Å; L330-N456 WeakPolarHBondContact CD2-ND2 3.36Å; R337-N456 PolarHBondContact NH2-OD1 2.85Å; R337-N456 VanDerWaalsContact NH2-OD1 3.12Å; K400-N456 HydrophobicContact CB-CB 4.47Å; K400-N456 PolarHBondContact N-O 2.81Å; K400-N456 PolarHBondContact O-N 2.89Å |
| 457 | L | 49.3 | Very low | 49.7 | Very low | 63 Ų | 63 | 53.3 Ų | 53.3 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | trans | -92.6 | 124.2 | 176.8 | -71.2 | 164.2 | 0 | 0 | 0 | 108.9 | K399 V455 S459 | K399-L457 HydrophobicContact CD-CD2 3.77Å; K399-L457 HydrophobicContact CG-CD2 3.97Å; V455-L457 HydrophobicContact CG1-CD2 4.48Å; V455-L457 HydrophobicContact CG1-CG 4.31Å; L457-S459 VanDerWaalsContact C-N 3.3Å; L457-S459 PolarHBondContact O-N 2.88Å | ||
| 458 | P | 40.5 | Very low | 47.8 | Very low | 85 Ų | 85 | 55.5 Ų | 55.5 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.4 | -172.7 | 25.7 | -31.5 | 0 | 0 | 0 | 115.7 | C398 | C398-P458 HydrophobicContact CB-CB 4.38Å; C398-P458 HydrophobicContact CB-CG 3.53Å; C398-P458 WeakPolarHBondContact O-CD 3.37Å; C398-P458 WeakPolarHBondContact O-CG 3.41Å |
| 459 | S | 33.7 | Very low | 45.8 | Very low | 111 Ų | 111 | 54.4 Ų | 54.4 | 78% | 0.776 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.1 | 14 | -167.6 | 48.7 | 0 | 0 | 0 | 0 | 116.3 | L457 | L457-S459 VanDerWaalsContact C-N 3.3Å; L457-S459 PolarHBondContact O-N 2.88Å |
| 460 | M | 27.9 | Very low | 43.5 | Very low | 128 Ų | 128 | 59.9 Ų | 59.9 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -131.9 | 137.6 | 173.8 | -87.5 | -176.7 | 55.8 | 0 | 0 | 111.5 | H462 | M460-H462 PolarHBondContact O-N 3.43Å; M460-H462 VanDerWaalsContact O-N 3.07Å |
| 461 | I | 27 | Very low | 41.3 | Very low | 139 Ų | 139 | 61 Ų | 61 | 71% | 0.713 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -37.6 | 118.3 | 159 | -63.6 | 168.4 | 0 | 0 | 0 | 107.5 | G463 | I461-G463 PolarHBondContact O-N 3.43Š|
| 462 | H | 29.3 | Very low | 39.2 | Very low | 65 Ų | 65 | 61.8 Ų | 61.8 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | trans | -50.8 | 98.7 | -157.6 | -74.6 | 37.6 | 0 | 0 | 0 | 113.8 | R223 F322 R337 M460 | R223-H462 PolarHBondContact NH2-O 3.37Å; F322-H462 AromaticContact CE2-CE1 3.92Å; R337-H462 PolarHBondContact NH2-CD2 3.31Å; R337-H462 PolarHBondContact NH2-NE2 3.07Å; M460-H462 PolarHBondContact O-N 3.43Å; M460-H462 VanDerWaalsContact O-N 3.07Å | ||
| 463 | G | 25.4 | Very low | 37.3 | Very low | 47 Ų | 47 | 62.3 Ų | 62.3 | 49% | 0.485 | 34% | 0.344 | S | S | . | . | trans | -87.5 | 114.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | I461 | I461-G463 PolarHBondContact O-N 3.43Š| ||
| 464 | S | 30 | Very low | 35.5 | Very low | 59 Ų | 59 | 61.5 Ų | 61.5 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | trans | -97.9 | 119.4 | 175.4 | -47 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 465 | F | 25.5 | Very low | 33.8 | Very low | 152 Ų | 152 | 63.6 Ų | 63.6 | 67% | 0.667 | 35% | 0.352 | S | S | * | . | trans | -96.3 | 124.3 | 165.1 | -176.5 | -104 | 0 | 0 | 0 | 108.1 | A467 | F465-A467 HydrophobicContact CE1-CB 3.78Å; F465-A467 HydrophobicContact CZ-CB 4.4Å | ||
| 466 | F | 27.8 | Very low | 32.3 | Very low | 98 Ų | 98 | 62.8 Ų | 62.8 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | trans | -110.7 | 112 | 169.3 | -66.9 | -84.2 | 0 | 0 | 0 | 107.4 | L341 M454 | L341-F466 HydrophobicContact CD1-CD1 3.84Å; L341-F466 HydrophobicContact CD1-CE1 3.7Å; M454-F466 HydrophobicContact CG-CE1 4.32Å | ||
| 467 | A | 25.6 | Very low | 31.1 | Very low | 19 Ų | 19 | 63.6 Ų | 63.6 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | trans | -86.4 | 131.1 | 160 | 0 | 0 | 0 | 0 | 0 | 107.9 | F465 | F465-A467 HydrophobicContact CE1-CB 3.78Å; F465-A467 HydrophobicContact CZ-CB 4.4Å | ||
| 468 | S | 27.5 | Very low | 30 | Very low | 50 Ų | 50 | 62.5 Ų | 62.5 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.4 | 170.8 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | ||
| 469 | I | 29.7 | Very low | 29.4 | Very low | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 106.5 | 170.1 | -49.3 | 176.7 | 0 | 0 | 0 | 106.9 | S450 L451 Y471 W489 M495 | S450-I469 VanDerWaalsContact CA-O 3.26Å; S450-I469 WeakPolarHBondContact CA-O 3.3Å; L451-I469 HydrophobicContact CD2-CD1 4.23Å; L451-I469 PolarHBondContact N-O 3.44Å; L451-I469 PolarHBondContact O-N 2.89Å; I469-Y471 HydrophobicContact CB-CE2 3.98Å; I469-Y471 HydrophobicContact CG2-CD2 4.04Å; I469-Y471 HydrophobicContact CG2-CE1 4.4Å; I469-Y471 HydrophobicContact CG2-CE2 3.28Å; I469-Y471 VanDerWaalsContact CG2-CZ 3.5Å; I469-W489 HydrophobicContact CD1-CZ2 3.74Å; I469-W489 HydrophobicContact CG1-CZ2 3.98Å; I469-M495 HydrophobicContact CD1-SD 4.16Å |
| 470 | R | 28.7 | Very low | 29 | Very low | 123 Ų | 123 | 70.1 Ų | 70.1 | 46% | 0.464 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121 | 179.4 | -63 | -174.2 | -178.8 | -177.4 | 3.9 | 110 | Q448 F449 | Q448-R470 HydrophobicContact CG-CB 4.43Å; F449-R470 CarbonylContact O-C 3.5Å; F449-R470 WeakPolarHBondContact O-CA 3.36Å |
| 471 | Y | 31.8 | Very low | 29.1 | Very low | 25 Ų | 25 | 67.3 Ų | 67.3 | 10% | 0.098 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.1 | 166.5 | -58.7 | -93.3 | 0 | 0 | 0 | 108.1 | Q448 F449 I469 M497 F513 | Q448-Y471 CarbonylContact C-O 3.5Å; Q448-Y471 VanDerWaalsContact CA-O 3.26Å; Q448-Y471 WeakPolarHBondContact CA-O 3.37Å; F449-Y471 AromaticContact CD1-CD2 3.76Å; F449-Y471 HydrophobicContact CD1-CD2 3.76Å; F449-Y471 HydrophobicContact CD1-CE2 4.34Å; F449-Y471 HydrophobicContact CE1-CD2 4.5Å; F449-Y471 PolarHBondContact N-O 3.46Å; F449-Y471 PolarHBondContact O-N 3.42Å; I469-Y471 HydrophobicContact CB-CE2 3.98Å; I469-Y471 HydrophobicContact CG2-CD2 4.04Å; I469-Y471 HydrophobicContact CG2-CE1 4.4Å; I469-Y471 HydrophobicContact CG2-CE2 3.28Å; I469-Y471 VanDerWaalsContact CG2-CZ 3.5Å; Y471-M497 HydrophobicContact CD1-CE 3.95Å; Y471-M497 HydrophobicContact CD2-CE 4.11Å; Y471-M497 HydrophobicContact CE1-CE 3.69Å; Y471-M497 HydrophobicContact CE2-CE 3.81Å; Y471-M497 HydrophobicContact CE2-SD 4.17Å; Y471-M497 HydrophobicContact CG-CE 4.14Å; Y471-F513 HydrophobicContact CD1-CE1 4.35Å |
| 472 | S | 31 | Very low | 29.2 | Very low | 23 Ų | 23 | 65.4 Ų | 65.4 | 16% | 0.161 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116.9 | 178.2 | 167.3 | 0 | 0 | 0 | 0 | 107 | L446 T512 | L446-S472 WeakPolarHBondContact CD1-OG 3.33Å; L446-S472 WeakPolarHBondContact CD2-OG 3.48Å; L446-S472 WeakPolarHBondContact CG-OG 3.22Å; S472-T512 WeakPolarHBondContact CB-O 3.11Å; S472-T512 PolarHBondContact OG-O 3.5Å |
| 473 | C | 34.6 | Very low | 29.2 | Very low | 21 Ų | 21 | 64.1 Ų | 64.1 | 14% | 0.142 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108.5 | 176.8 | -148.3 | 0 | 0 | 0 | 0 | 107.8 | L446 V447 L476 | L446-C473 WeakPolarHBondContact CA-O 3.34Å; V447-C473 PolarHBondContact N-O 3.05Å; V447-C473 PolarHBondContact O-N 3.29Å; C473-L476 HydrophobicContact CB-CD1 4.23Å |
| 474 | S | 33.3 | Very low | 29.3 | Very low | 13 Ų | 13 | 68.4 Ų | 68.4 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 137.6 | 165 | 34.7 | 0 | 0 | 0 | 0 | 107.7 | A510 T512 | S474-A510 CarbonylContact C-O 3.51Å; S474-A510 WeakPolarHBondContact CB-O 3.34Å; S474-A510 PolarHBondContact OG-O 2.88Å; S474-T512 PolarHBondContact OG-N 3.22Å; S474-T512 PolarHBondContact OG-OG1 3.38Å |
| 475 | D | 31.8 | Very low | 29.2 | Very low | 48 Ų | 48 | 67.2 Ų | 67.2 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | trans | 65.8 | 69 | 175.2 | -54.7 | -31.1 | 0 | 0 | 0 | 116.5 | N477 M509 A510 | D475-N477 PolarHBondContact O-N 3.33Å; D475-M509 WeakPolarHBondContact O-CA 3.1Å; D475-M509 VanDerWaalsContact O-CB 3.3Å; D475-M509 WeakPolarHBondContact O-CB 3.26Å; D475-M509 VanDerWaalsContact O-CG 3.23Å; D475-M509 WeakPolarHBondContact O-CG 3.35Å; D475-A510 PolarHBondContact OD2-N 3.29Å | ||
| 476 | L | 32.1 | Very low | 29.3 | Very low | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | trans | -79.9 | 99.3 | 172 | -94.2 | 145.8 | 0 | 0 | 0 | 111.6 | L376 H445 C473 L501 S503 F505 | L376-L476 HydrophobicContact CD1-CD1 3.52Å; L376-L476 HydrophobicContact CD1-CD2 3.89Å; L376-L476 HydrophobicContact CD1-CG 4.31Å; L376-L476 HydrophobicContact CD2-CD1 3.61Å; L376-L476 HydrophobicContact CG-CD1 4.09Å; H445-L476 WeakPolarHBondContact NE2-CB 3.31Å; H445-L476 WeakPolarHBondContact NE2-CD1 3.44Å; C473-L476 HydrophobicContact CB-CD1 4.23Å; L476-L501 HydrophobicContact CD2-CB 3.98Å; L476-L501 HydrophobicContact CD2-CD1 4.11Å; L476-L501 HydrophobicContact CD2-CD2 4.34Å; L476-L501 HydrophobicContact CD2-CG 4.36Å; L476-S503 WeakPolarHBondContact O-CB 3.47Å; L476-S503 PolarHBondContact O-OG 3.03Å; L476-F505 WeakPolarHBondContact O-CB 3.48Å | ||
| 477 | N | 31.3 | Very low | 29.3 | Very low | 33 Ų | 33 | 59 Ų | 59 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 138.8 | 170.1 | -128 | 29.4 | 0 | 0 | 0 | 114.1 | D475 F479 F505 N506 K507 K508 | D475-N477 PolarHBondContact O-N 3.33Å; N477-F479 PolarHBondContact O-N 2.93Å; N477-F505 PolarHBondContact OD1-O 3.21Å; N477-N506 VanDerWaalsContact CG-C 3.44Å; N477-N506 PolarHBondContact ND2-O 3.41Å; N477-N506 WeakPolarHBondContact OD1-CA 3.02Å; N477-N506 PolarHBondContact OD1-N 3.48Å; N477-K507 WeakPolarHBondContact CB-O 3.35Å; N477-K507 WeakPolarHBondContact ND2-CA 3.36Å; N477-K507 PolarHBondContact ND2-N 3.21Å; N477-K507 PolarHBondContact ND2-O 3.36Å; N477-K507 WeakPolarHBondContact OD1-CA 3.33Å; N477-K507 PolarHBondContact OD1-N 3.07Å; N477-K507 PolarHBondContact OD1-O 3.16Å; N477-K508 PolarHBondContact ND2-N 2.94Å |
| 478 | A | 26 | Very low | 29.3 | Very low | 40 Ų | 40 | 61.5 Ų | 61.5 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -55.9 | 100.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S503 F505 | A478-S503 VanDerWaalsContact CB-O 3.25Å; A478-S503 WeakPolarHBondContact CB-O 3.48Å; A478-F505 VanDerWaalsContact CB-O 3.28Å; A478-F505 WeakPolarHBondContact CB-O 3.35Å; A478-F505 PolarHBondContact N-O 3.09Å |
| 479 | F | 26.5 | Very low | 29.4 | Very low | 158 Ų | 158 | 62.6 Ų | 62.6 | 69% | 0.693 | 33% | 0.332 | S | S | * | . | trans | -144.3 | 138.9 | 148.7 | -86.4 | -86.5 | 0 | 0 | 0 | 106.8 | N477 T481 | N477-F479 PolarHBondContact O-N 2.93Å; F479-T481 HydrophobicContact CB-CG2 3.7Å; F479-T481 PolarHBondContact O-N 2.89Å; F479-T481 PolarHBondContact O-OG1 2.74Å | ||
| 480 | E | 26.9 | Very low | 29.1 | Very low | 198 Ų | 198 | 70.7 Ų | 70.7 | 93% | 0.925 | 36% | 0.362 | S | S | * | . | trans | -57.4 | 92.3 | 158 | -132.1 | 177.6 | -171.5 | 0 | 0 | 106.3 | ||||
| 481 | T | 29.5 | Very low | 29.1 | Very low | 70 Ų | 70 | 74.1 Ų | 74.1 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 106.5 | -177.6 | 31.2 | 0 | 0 | 0 | 0 | 107.5 | F479 G483 | F479-T481 HydrophobicContact CB-CG2 3.7Å; F479-T481 PolarHBondContact O-N 2.89Å; F479-T481 PolarHBondContact O-OG1 2.74Å; T481-G483 VanDerWaalsContact C-N 3.34Å; T481-G483 PolarHBondContact O-N 3.28Å; T481-G483 VanDerWaalsContact O-N 3.15Å |
| 482 | S | 28.6 | Very low | 29 | Very low | 99 Ų | 99 | 74.8 Ų | 74.8 | 69% | 0.692 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 93 | 158.7 | 53.7 | 0 | 0 | 0 | 0 | 107.6 | ||
| 483 | G | 29.3 | Very low | 28.7 | Very low | 37 Ų | 37 | 79 Ų | 79 | 38% | 0.381 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | T481 | T481-G483 VanDerWaalsContact C-N 3.34Å; T481-G483 PolarHBondContact O-N 3.28Å; T481-G483 VanDerWaalsContact O-N 3.15Å |
| 484 | H | 27.7 | Very low | 28.4 | Very low | 138 Ų | 138 | 84.4 Ų | 84.4 | 64% | 0.639 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 107.8 | 165.5 | -74.4 | -71.4 | 0 | 0 | 0 | 109.2 | ||
| 485 | L | 29.1 | Very low | 28.1 | Very low | 34 Ų | 34 | 84.9 Ų | 84.9 | 18% | 0.178 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123.6 | 170.5 | -82.3 | 157.9 | 0 | 0 | 0 | 109.4 | Y496 M497 F513 M523 | L485-Y496 WeakPolarHBondContact O-CA 3.09Å; L485-M497 HydrophobicContact CD1-CE 4Å; L485-M497 PolarHBondContact N-O 3.42Å; L485-M497 PolarHBondContact O-N 3.04Å; L485-M497 VanDerWaalsContact O-N 3.12Å; L485-F513 HydrophobicContact CD2-CZ 4.16Å; L485-M523 HydrophobicContact CD2-CE 4.22Å; L485-M523 HydrophobicContact CD2-SD 4.31Å |
| 486 | V | 26.9 | Very low | 27.9 | Very low | 55 Ų | 55 | 86.7 Ų | 86.7 | 33% | 0.333 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.1 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | Y496 | V486-Y496 HydrophobicContact CG1-CE1 4.42Å; V486-Y496 HydrophobicContact CG2-CD1 3.88Å; V486-Y496 HydrophobicContact CG2-CE1 3.63Å |
| 487 | C | 27 | Very low | 27.8 | Very low | 23 Ų | 23 | 86.6 Ų | 86.6 | 16% | 0.155 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.9 | 168.5 | -66.7 | 0 | 0 | 0 | 0 | 109.5 | W489 M495 | C487-W489 PolarHBondContact O-N 2.94Å; C487-M495 PolarHBondContact N-O 3.4Å |
| 488 | N | 25.3 | Very low | 27.6 | Very low | 71 Ų | 71 | 87.6 Ų | 87.6 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | trans | -72.2 | 127.8 | 164.5 | -64.8 | -36 | 0 | 0 | 0 | 108.2 | L521 | N488-L521 HydrophobicContact CB-CD1 3.86Å; N488-L521 HydrophobicContact CB-CD2 3.58Å; N488-L521 HydrophobicContact CB-CG 3.99Å; N488-L521 WeakPolarHBondContact O-CD1 3.38Å | ||
| 489 | W | 29.5 | Very low | 27.9 | Very low | 73 Ų | 73 | 86.5 Ų | 86.5 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | trans | -113.3 | 110.2 | 167 | -87.9 | 71.9 | 0 | 0 | 0 | 105 | I469 C487 E491 L492 D493 | I469-W489 HydrophobicContact CD1-CZ2 3.74Å; I469-W489 HydrophobicContact CG1-CZ2 3.98Å; C487-W489 PolarHBondContact O-N 2.94Å; W489-E491 PolarHBondContact O-N 2.9Å; W489-L492 VanDerWaalsContact CB-C 3.42Å; W489-L492 HydrophobicContact CB-CB 3.65Å; W489-L492 VanDerWaalsContact CB-O 3.25Å; W489-L492 WeakPolarHBondContact CB-O 3.25Å; W489-L492 HydrophobicContact CD2-CB 3.58Å; W489-L492 HydrophobicContact CD2-CD1 4.4Å; W489-L492 HydrophobicContact CE3-CB 3.29Å; W489-L492 HydrophobicContact CE3-CD1 3.74Å; W489-L492 HydrophobicContact CE3-CG 4.15Å; W489-L492 HydrophobicContact CG-CB 3.8Å; W489-L492 HydrophobicContact CH2-CD1 4.1Å; W489-L492 HydrophobicContact CZ3-CB 4.05Å; W489-L492 HydrophobicContact CZ3-CD1 3.56Å; W489-L492 HydrophobicContact CZ3-CG 4.45Å; W489-L492 PolarHBondContact O-N 2.95Å; W489-D493 WeakPolarHBondContact O-CA 3.37Å; W489-D493 PolarHBondContact O-N 2.86Å | ||
| 490 | Y | 25.3 | Very low | 28 | Very low | 197 Ų | 197 | 80.2 Ų | 80.2 | 77% | 0.773 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 115 | 159.1 | -82.7 | -88.7 | 0 | 0 | 0 | 105.8 | ||
| 491 | E | 28.1 | Very low | 28.2 | Very low | 195 Ų | 195 | 72.3 Ų | 72.3 | 91% | 0.911 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 12.6 | -173.1 | -55.7 | -170.8 | 162 | 0 | 0 | 118.8 | W489 | W489-E491 PolarHBondContact O-N 2.9Š|
| 492 | L | 29.5 | Very low | 28.1 | Very low | 38 Ų | 38 | 77.4 Ų | 77.4 | 20% | 0.199 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -156.5 | 46 | 167.8 | -128.2 | 160 | 0 | 0 | 0 | 110.1 | L388 W489 R494 M495 | L388-L492 HydrophobicContact CD1-CD2 3.28Å; L388-L492 HydrophobicContact CD1-CG 3.8Å; L388-L492 HydrophobicContact CG-CD2 4.26Å; W489-L492 VanDerWaalsContact CB-C 3.42Å; W489-L492 HydrophobicContact CB-CB 3.65Å; W489-L492 VanDerWaalsContact CB-O 3.25Å; W489-L492 WeakPolarHBondContact CB-O 3.25Å; W489-L492 HydrophobicContact CD2-CB 3.58Å; W489-L492 HydrophobicContact CD2-CD1 4.4Å; W489-L492 HydrophobicContact CE3-CB 3.29Å; W489-L492 HydrophobicContact CE3-CD1 3.74Å; W489-L492 HydrophobicContact CE3-CG 4.15Å; W489-L492 HydrophobicContact CG-CB 3.8Å; W489-L492 HydrophobicContact CH2-CD1 4.1Å; W489-L492 HydrophobicContact CZ3-CB 4.05Å; W489-L492 HydrophobicContact CZ3-CD1 3.56Å; W489-L492 HydrophobicContact CZ3-CG 4.45Å; W489-L492 PolarHBondContact O-N 2.95Å; L492-R494 PolarHBondContact O-N 3.47Å; L492-R494 VanDerWaalsContact O-N 3.1Å; L492-M495 HydrophobicContact CD2-CE 3.81Å |
| 493 | D | 25.2 | Very low | 28.4 | Very low | 113 Ų | 113 | 73.3 Ų | 73.3 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | trans | -36.5 | 108 | -166.2 | -90 | -38.7 | 0 | 0 | 0 | 115 | N386 W489 | N386-D493 VanDerWaalsContact CG-O 3.27Å; N386-D493 PolarHBondContact ND2-O 3.16Å; W489-D493 WeakPolarHBondContact O-CA 3.37Å; W489-D493 PolarHBondContact O-N 2.86Å | ||
| 494 | R | 27 | Very low | 28.6 | Very low | 133 Ų | 133 | 75.7 Ų | 75.7 | 50% | 0.502 | 36% | 0.364 | S | S | . | . | trans | 75.7 | 68.4 | 162.5 | -55.6 | -175.6 | 179.2 | -172 | 0.3 | 118.7 | N386 L492 Y496 | N386-R494 PolarHBondContact ND2-O 3.32Å; N386-R494 PolarHBondContact OD1-O 3.48Å; L492-R494 PolarHBondContact O-N 3.47Å; L492-R494 VanDerWaalsContact O-N 3.1Å; R494-Y496 HydrophobicContact CB-CE2 4.01Å; R494-Y496 WeakPolarHBondContact O-CD2 3.23Å; R494-Y496 PolarHBondContact O-N 3.17Å | ||
| 495 | M | 28.5 | Very low | 29 | Very low | 23 Ų | 23 | 70.6 Ų | 70.6 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.4 | 162.3 | -74 | -165.6 | -171.6 | 0 | 0 | 109.4 | I469 C487 L492 | I469-M495 HydrophobicContact CD1-SD 4.16Å; C487-M495 PolarHBondContact N-O 3.4Å; L492-M495 HydrophobicContact CD2-CE 3.81Å |
| 496 | Y | 26.5 | Very low | 29.2 | Very low | 87 Ų | 87 | 76.2 Ų | 76.2 | 34% | 0.341 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 148.9 | 163.7 | -62.7 | -91.1 | 0 | 0 | 0 | 107.4 | P384 L485 V486 R494 | P384-Y496 WeakPolarHBondContact CD-O 3.41Å; P384-Y496 WeakPolarHBondContact CG-O 3.28Å; L485-Y496 WeakPolarHBondContact O-CA 3.09Å; V486-Y496 HydrophobicContact CG1-CE1 4.42Å; V486-Y496 HydrophobicContact CG2-CD1 3.88Å; V486-Y496 HydrophobicContact CG2-CE1 3.63Å; R494-Y496 HydrophobicContact CB-CE2 4.01Å; R494-Y496 WeakPolarHBondContact O-CD2 3.23Å; R494-Y496 PolarHBondContact O-N 3.17Å |
| 497 | M | 30.8 | Very low | 29.4 | Very low | 4 Ų | 4 | 81.9 Ų | 81.9 | 2% | 0.02 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.6 | 167.1 | -171.7 | 176.6 | 53.5 | 0 | 0 | 107.3 | F449 Y471 L485 I499 | F449-M497 HydrophobicContact CE1-SD 4.08Å; Y471-M497 HydrophobicContact CD1-CE 3.95Å; Y471-M497 HydrophobicContact CD2-CE 4.11Å; Y471-M497 HydrophobicContact CE1-CE 3.69Å; Y471-M497 HydrophobicContact CE2-CE 3.81Å; Y471-M497 HydrophobicContact CE2-SD 4.17Å; Y471-M497 HydrophobicContact CG-CE 4.14Å; L485-M497 HydrophobicContact CD1-CE 4Å; L485-M497 PolarHBondContact N-O 3.42Å; L485-M497 PolarHBondContact O-N 3.04Å; L485-M497 VanDerWaalsContact O-N 3.12Å; M497-I499 HydrophobicContact CE-CD1 3.18Å; M497-I499 HydrophobicContact CE-CG1 3.8Å; M497-I499 HydrophobicContact CG-CD1 4.25Å; M497-I499 HydrophobicContact CG-CG1 3.79Å; M497-I499 HydrophobicContact SD-CD1 3.69Å; M497-I499 HydrophobicContact SD-CG1 3.87Å |
| 498 | V | 27 | Very low | 29.6 | Very low | 54 Ų | 54 | 90 Ų | 90 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 114.5 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 106 | ||
| 499 | I | 31.7 | Very low | 29.7 | Very low | 17 Ų | 17 | 90.8 Ų | 90.8 | 9% | 0.087 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128 | 174.4 | -52.8 | 178.8 | 0 | 0 | 0 | 108.1 | L378 M497 L501 | L378-I499 HydrophobicContact CD1-CG2 4Å; L378-I499 HydrophobicContact CD2-CG2 3.66Å; L378-I499 HydrophobicContact CG-CG2 3.67Å; M497-I499 HydrophobicContact CE-CD1 3.18Å; M497-I499 HydrophobicContact CE-CG1 3.8Å; M497-I499 HydrophobicContact CG-CD1 4.25Å; M497-I499 HydrophobicContact CG-CG1 3.79Å; M497-I499 HydrophobicContact SD-CD1 3.69Å; M497-I499 HydrophobicContact SD-CG1 3.87Å; I499-L501 HydrophobicContact CB-CG 4.35Å; I499-L501 HydrophobicContact CG2-CD1 4.44Å; I499-L501 HydrophobicContact CG2-CD2 3.68Å; I499-L501 HydrophobicContact CG2-CG 3.69Å |
| 500 | G | 27.9 | Very low | 29.7 | Very low | 26 Ų | 26 | 89.8 Ų | 89.8 | 27% | 0.268 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 501 | L | 31.1 | Very low | 30 | Very low | 32 Ų | 32 | 83.9 Ų | 83.9 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131 | 176.9 | -66.7 | 165.7 | 0 | 0 | 0 | 108.8 | L376 L378 L476 I499 | L376-L501 HydrophobicContact CD1-CD2 4.11Å; L378-L501 HydrophobicContact CD1-CD2 3.71Å; L378-L501 HydrophobicContact CG-CD2 3.9Å; L476-L501 HydrophobicContact CD2-CB 3.98Å; L476-L501 HydrophobicContact CD2-CD1 4.11Å; L476-L501 HydrophobicContact CD2-CD2 4.34Å; L476-L501 HydrophobicContact CD2-CG 4.36Å; I499-L501 HydrophobicContact CB-CG 4.35Å; I499-L501 HydrophobicContact CG2-CD1 4.44Å; I499-L501 HydrophobicContact CG2-CD2 3.68Å; I499-L501 HydrophobicContact CG2-CG 3.69Å |
| 502 | R | 28.4 | Very low | 30.1 | Very low | 177 Ų | 177 | 78.7 Ų | 78.7 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.6 | 165.1 | -169.4 | 175.4 | -179.1 | 178.5 | 0.4 | 109 | D377 W379 | D377-R502 PolarHBondContact O-N 3.03Å; W379-R502 HydrophobicContact CH2-CB 3.36Å; W379-R502 HydrophobicContact CH2-CG 4.11Å; W379-R502 HydrophobicContact CZ2-CB 4.11Å; W379-R502 HydrophobicContact CZ3-CB 3.91Å |
| 503 | S | 34 | Very low | 30 | Very low | 13 Ų | 13 | 81.6 Ų | 81.6 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | trans | -131 | 153 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | L476 A478 F505 | L476-S503 WeakPolarHBondContact O-CB 3.47Å; L476-S503 PolarHBondContact O-OG 3.03Å; A478-S503 VanDerWaalsContact CB-O 3.25Å; A478-S503 WeakPolarHBondContact CB-O 3.48Å; S503-F505 WeakPolarHBondContact OG-CD2 3.36Å; S503-F505 PolarHBondContact OG-N 2.87Å | ||
| 504 | S | 34.8 | Very low | 30.2 | Very low | 86 Ų | 86 | 79.1 Ų | 79.1 | 60% | 0.601 | 41% | 0.407 | S | S | * | . | trans | -96 | 7 | -179.9 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 505 | F | 34.8 | Very low | 30.2 | Very low | 31 Ų | 31 | 80.9 Ų | 80.9 | 14% | 0.136 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -96.2 | 159.6 | -175.1 | -61.4 | -77.6 | 0 | 0 | 0 | 114.5 | C372 G374 L441 P443 H445 L476 N477 A478 S503 | C372-F505 HydrophobicContact CB-CE1 4.13Å; G374-F505 VanDerWaalsContact CA-CZ 3.42Å; L441-F505 HydrophobicContact CB-CE2 4.36Å; L441-F505 WeakPolarHBondContact O-CZ 3.33Å; P443-F505 HydrophobicContact CG-CE1 4.5Å; H445-F505 AromaticContact CE1-CE2 3.95Å; L476-F505 WeakPolarHBondContact O-CB 3.48Å; N477-F505 PolarHBondContact OD1-O 3.21Å; A478-F505 VanDerWaalsContact CB-O 3.28Å; A478-F505 WeakPolarHBondContact CB-O 3.35Å; A478-F505 PolarHBondContact N-O 3.09Å; S503-F505 WeakPolarHBondContact OG-CD2 3.36Å; S503-F505 PolarHBondContact OG-N 2.87Å |
| 506 | N | 33.5 | Very low | 30 | Very low | 152 Ų | 152 | 82.8 Ų | 82.8 | 81% | 0.813 | 44% | 0.441 | S | S | * | . | trans | -122.4 | 18.1 | -169.4 | -114.7 | -9.5 | 0 | 0 | 0 | 117.5 | N477 | N477-N506 VanDerWaalsContact CG-C 3.44Å; N477-N506 PolarHBondContact ND2-O 3.41Å; N477-N506 WeakPolarHBondContact OD1-CA 3.02Å; N477-N506 PolarHBondContact OD1-N 3.48Å | ||
| 507 | K | 32.6 | Very low | 30.1 | Very low | 174 Ų | 174 | 84 Ų | 84 | 76% | 0.757 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -118.1 | 138.6 | 169.2 | -61.3 | -179.4 | 178.4 | -179.1 | 0 | 118.2 | N477 | N477-K507 WeakPolarHBondContact CB-O 3.35Å; N477-K507 WeakPolarHBondContact ND2-CA 3.36Å; N477-K507 PolarHBondContact ND2-N 3.21Å; N477-K507 PolarHBondContact ND2-O 3.36Å; N477-K507 WeakPolarHBondContact OD1-CA 3.33Å; N477-K507 PolarHBondContact OD1-N 3.07Å; N477-K507 PolarHBondContact OD1-O 3.16Å |
| 508 | K | 29.7 | Very low | 29.8 | Very low | 195 Ų | 195 | 87.8 Ų | 87.8 | 85% | 0.848 | 50% | 0.498 | S | S | * | . | trans | -40 | 144.7 | -174.4 | -70.7 | 177.7 | 175.3 | 179.4 | 0 | 116.5 | N477 | N477-K508 PolarHBondContact ND2-N 2.94Š| ||
| 509 | M | 27.9 | Very low | 29.8 | Very low | 87 Ų | 87 | 89.7 Ų | 89.7 | 43% | 0.429 | 51% | 0.51 | S | S | . | . | trans | -86.6 | 137.2 | -174.9 | -175.2 | 179.4 | -120.2 | 0 | 0 | 114.4 | D475 L511 | D475-M509 WeakPolarHBondContact O-CA 3.1Å; D475-M509 VanDerWaalsContact O-CB 3.3Å; D475-M509 WeakPolarHBondContact O-CB 3.26Å; D475-M509 VanDerWaalsContact O-CG 3.23Å; D475-M509 WeakPolarHBondContact O-CG 3.35Å; M509-L511 HydrophobicContact SD-CG 4.45Å | ||
| 510 | A | 30.6 | Very low | 29.3 | Very low | 51 Ų | 51 | 100.1 Ų | 100.1 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | trans | -131.3 | 115.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S474 D475 | S474-A510 CarbonylContact C-O 3.51Å; S474-A510 WeakPolarHBondContact CB-O 3.34Å; S474-A510 PolarHBondContact OG-O 2.88Å; D475-A510 PolarHBondContact OD2-N 3.29Å | ||
| 511 | L | 30.1 | Very low | 29.2 | Very low | 74 Ų | 74 | 102.8 Ų | 102.8 | 39% | 0.387 | 56% | 0.555 | S | S | . | * | trans | -85.1 | 120.3 | 176.7 | -73.8 | 164.7 | 0 | 0 | 0 | 110.6 | M509 F513 | M509-L511 HydrophobicContact SD-CG 4.45Å; L511-F513 HydrophobicContact CB-CE2 4.45Å | ||
| 512 | T | 30.3 | Very low | 28.7 | Very low | 85 Ų | 85 | 104.4 Ų | 104.4 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | trans | -114.1 | 122.8 | 177.2 | -21.7 | 0 | 0 | 0 | 0 | 110.4 | S472 S474 | S472-T512 WeakPolarHBondContact CB-O 3.11Å; S472-T512 PolarHBondContact OG-O 3.5Å; S474-T512 PolarHBondContact OG-N 3.22Å; S474-T512 PolarHBondContact OG-OG1 3.38Å | ||
| 513 | F | 28.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 100.4 Ų | 100.4 | 44% | 0.439 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -96.3 | 124.9 | 179.4 | -65.9 | -88.6 | 0 | 0 | 0 | 111 | Y471 L485 L511 M523 | Y471-F513 HydrophobicContact CD1-CE1 4.35Å; L485-F513 HydrophobicContact CD2-CZ 4.16Å; L511-F513 HydrophobicContact CB-CE2 4.45Å; F513-M523 HydrophobicContact CE2-CE 4.21Å; F513-M523 HydrophobicContact CE2-SD 4.08Å; F513-M523 HydrophobicContact CZ-CE 4.32Å; F513-M523 HydrophobicContact CZ-SD 3.97Å |
| 514 | G | 29.2 | Very low | 28 | Very low | 60 Ų | 60 | 103.5 Ų | 103.5 | 62% | 0.619 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 127.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A516 | G514-A516 PolarHBondContact O-N 3.12Š|
| 515 | Q | 25.8 | Very low | 27.6 | Very low | 170 Ų | 170 | 106.4 Ų | 106.4 | 79% | 0.794 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122.8 | 172.5 | -77.9 | -179.2 | -20.4 | 0 | 0 | 110.6 | ||
| 516 | A | 25.7 | Very low | 27.1 | Very low | 64 Ų | 64 | 115.5 Ų | 115.5 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | trans | -117.7 | 111.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | G514 | G514-A516 PolarHBondContact O-N 3.12Š| ||
| 517 | T | 27.7 | Very low | 26.7 | Very low | 111 Ų | 111 | 112.9 Ų | 112.9 | 68% | 0.681 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 57.2 | 97 | 171.9 | 58 | 0 | 0 | 0 | 0 | 117.1 | V519 | T517-V519 PolarHBondContact O-N 3.21Š|
| 518 | G | 25.3 | Very low | 26.4 | Very low | 85 Ų | 85 | 110.9 Ų | 110.9 | 88% | 0.876 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 88.5 | 0.7 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||
| 519 | V | 25.3 | Very low | 26.2 | Very low | 94 Ų | 94 | 104 Ų | 104 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | trans | -134.6 | 127 | -176 | -173 | 0 | 0 | 0 | 0 | 112.9 | T517 L521 | T517-V519 PolarHBondContact O-N 3.21Å; V519-L521 HydrophobicContact CG1-CD1 4.15Å | ||
| 520 | R | 21.8 | Very low | 26 | Very low | 235 Ų | 235 | 109 Ų | 109 | 89% | 0.887 | 65% | 0.647 | S | S | * | * | trans | -78.6 | 132 | 171.5 | -81.4 | -179.5 | 170.7 | 177 | -3 | 109.8 | ||||
| 521 | L | 25.3 | Very low | 25.7 | Very low | 82 Ų | 82 | 113.1 Ų | 113.1 | 43% | 0.429 | 67% | 0.666 | S | S | . | * | trans | -141.5 | 126.2 | 167.7 | -122.9 | 108.9 | 0 | 0 | 0 | 111.9 | N488 V519 | N488-L521 HydrophobicContact CB-CD1 3.86Å; N488-L521 HydrophobicContact CB-CD2 3.58Å; N488-L521 HydrophobicContact CB-CG 3.99Å; N488-L521 WeakPolarHBondContact O-CD1 3.38Å; V519-L521 HydrophobicContact CG1-CD1 4.15Å | ||
| 522 | G | 21.7 | Very low | 25.5 | Very low | 66 Ų | 66 | 117.4 Ų | 117.4 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | trans | -90.9 | 155.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 523 | M | 26.1 | Very low | 25.1 | Very low | 93 Ų | 93 | 123 Ų | 123 | 46% | 0.458 | 70% | 0.702 | S | S | . | * | trans | -138.4 | 133.7 | 179.8 | -127.9 | 179.3 | 63.1 | 0 | 0 | 111.3 | L485 F513 | L485-M523 HydrophobicContact CD2-CE 4.22Å; L485-M523 HydrophobicContact CD2-SD 4.31Å; F513-M523 HydrophobicContact CE2-CE 4.21Å; F513-M523 HydrophobicContact CE2-SD 4.08Å; F513-M523 HydrophobicContact CZ-CE 4.32Å; F513-M523 HydrophobicContact CZ-SD 3.97Å | ||
| 524 | A | 22.3 | Very low | 25 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | trans | -98.8 | 134.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y526 | A524-Y526 HydrophobicContact CB-CE2 4.3Š| ||
| 525 | I | 26.4 | Very low | 25.4 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -101.2 | 120.4 | 176.5 | -58.9 | 173.1 | 0 | 0 | 0 | 107.6 | ||||
| 526 | Y | 22.9 | Very low | 25.4 | Very low | 221 Ų | 221 | 129.5 Ų | 129.5 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | -103.7 | 112.6 | 168.1 | -75.7 | -85 | 0 | 0 | 0 | 109 | A524 | A524-Y526 HydrophobicContact CB-CE2 4.3Š| ||
| 527 | S | 25.8 | Very low | 25.4 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -83.4 | 119.8 | 168.4 | 165.5 | 0 | 0 | 0 | 0 | 109 | G529 | S527-G529 VanDerWaalsContact C-N 3.31Å; S527-G529 PolarHBondContact O-N 2.99Å | ||
| 528 | S | 25.2 | Very low | 25.3 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 92% | 0.923 | 76% | 0.76 | S | S | * | * | trans | -80.5 | 83.5 | 162.1 | 59.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 529 | G | 25.6 | Very low | 25.3 | Very low | 51 Ų | 51 | 137.1 Ų | 137.1 | 53% | 0.526 | 75% | 0.753 | S | S | . | * | S | Bend | trans | 177.7 | 98.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S527 | S527-G529 VanDerWaalsContact C-N 3.31Å; S527-G529 PolarHBondContact O-N 2.99Å |
| 530 | Q | 25.1 | Very low | 25.3 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | 47 | 113.8 | 171.8 | -63.9 | -159.5 | -14.2 | 0 | 0 | 118.9 | E532 | Q530-E532 PolarHBondContact O-N 3.37Š| ||
| 531 | V | 23.7 | Very low | 25.5 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | -65.2 | 105.8 | 162.4 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 532 | E | 25.5 | Very low | 25.5 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | -113.6 | 113 | 151.8 | -99 | -173.3 | 164.7 | 0 | 0 | 108.4 | Q530 | Q530-E532 PolarHBondContact O-N 3.37Š| ||
| 533 | K | 22.7 | Very low | 25.8 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 122.5 | 167.8 | -79.7 | 179.5 | 172.9 | 179.7 | 0 | 108.4 | ||||
| 534 | I | 26.7 | Very low | 25.8 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | trans | -136.8 | 133.3 | 162.8 | -57.8 | -178.3 | 0 | 0 | 0 | 104.6 | ||||
| 535 | P | 37.2 | Very low | 26.1 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 100% | 1.286 | 83% | 0.83 | S | S | * | * | trans | -59.1 | 0 | -138.6 | 21.9 | -34.9 | 0 | 0 | 0 | 117.8 |
Retrieved 535 of 535 residues in 429.8 ms
(Link to these results)