| 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 | 44.2 | Very low | 51.2 | Low | 245 Ų | 245 | 151 Ų | 151 | 100% | 1.207 | 81% | 0.814 | S | S | * | * | 0 | 141.5 | 0 | -82.3 | 97.3 | 84.8 | 0 | 0 | 109.5 | |||||
| 2 | S | 47.9 | Very low | 51.3 | Low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -48.7 | 144.1 | -171.2 | -48.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3 | S | 54.5 | Low | 51.1 | Low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -160.7 | 84.2 | 130.6 | 61.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | Y | 60.5 | Low | 50.8 | Low | 207 Ų | 207 | 147.4 Ų | 147.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -78.4 | 123.4 | 158 | -58.7 | -90.1 | 0 | 0 | 0 | 107.7 | ||||
| 5 | F | 53.5 | Low | 50.5 | Low | 202 Ų | 202 | 145.3 Ų | 145.3 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | trans | -169.6 | 75 | 138.6 | -94.9 | -66.5 | 0 | 0 | 0 | 107.8 | ||||
| 6 | V | 58.7 | Low | 50.5 | Low | 126 Ų | 126 | 141.4 Ų | 141.4 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -80.3 | 108.6 | 151.8 | 175 | 0 | 0 | 0 | 0 | 105 | S8 | V6-S8 VanDerWaalsContact C-N 3.3Å; V6-S8 VanDerWaalsContact CG1-OG 3.29Å; V6-S8 WeakPolarHBondContact CG1-OG 3.28Å; V6-S8 PolarHBondContact O-N 2.83Å | ||
| 7 | N | 38.5 | Very low | 50 | Low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | -88.1 | 79.2 | 170.4 | -152.5 | -19.7 | 0 | 0 | 0 | 108.2 | T9 | N7-T9 PolarHBondContact O-N 2.67Š| ||
| 8 | S | 50.2 | Low | 50.1 | Low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -84.9 | 97.3 | 167.2 | -75.6 | 0 | 0 | 0 | 0 | 108.4 | V6 | V6-S8 VanDerWaalsContact C-N 3.3Å; V6-S8 VanDerWaalsContact CG1-OG 3.29Å; V6-S8 WeakPolarHBondContact CG1-OG 3.28Å; V6-S8 PolarHBondContact O-N 2.83Å | ||
| 9 | T | 55.6 | Low | 49.7 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 64% | 0.644 | 81% | 0.808 | S | S | * | * | trans | -116.5 | 73.5 | 157.9 | -56.7 | 0 | 0 | 0 | 0 | 108.4 | N7 | N7-T9 PolarHBondContact O-N 2.67Š| ||
| 10 | F | 47.9 | Very low | 50 | Low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -139.1 | 113 | 147.8 | -70.7 | -71.5 | 0 | 0 | 0 | 106.1 | V12 | F10-V12 PolarHBondContact O-N 2.85Š| ||
| 11 | P | 51.8 | Low | 50.1 | Low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -69.4 | 105.2 | 172.7 | 27.3 | -30.1 | 0 | 0 | 0 | 108.4 | S13 | P11-S13 PolarHBondContact O-N 3.07Š| ||
| 12 | V | 52.7 | Low | 50.2 | Low | 135 Ų | 135 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -72.3 | 110 | 156.3 | 171.2 | 0 | 0 | 0 | 0 | 106.4 | F10 | F10-V12 PolarHBondContact O-N 2.85Š| ||
| 13 | S | 48.1 | Very low | 50 | Low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -142.4 | 96.1 | 161.6 | -66.4 | 0 | 0 | 0 | 0 | 107.3 | P11 | P11-S13 PolarHBondContact O-N 3.07Š| ||
| 14 | L | 46.8 | Very low | 49.5 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -94 | 126.4 | 152.5 | -85.6 | 156.5 | 0 | 0 | 0 | 106.3 | ||||
| 15 | P | 46.8 | Very low | 48.7 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | -121.1 | 144.8 | 124.9 | 33.1 | -24.9 | 0 | 0 | 0 | 109.1 | |||||
| 16 | G | 50 | Low | 48.5 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -48.2 | 142.4 | -169 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 17 | G | 42.9 | Very low | 48 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 175.8 | 110.9 | 173 | 0 | 0 | 0 | 0 | 0 | 107.9 | D19 | G17-D19 PolarHBondContact O-N 3.19Š| ||
| 18 | Q | 50.7 | Low | 48.1 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -49.6 | 124.2 | 171.7 | -66.8 | -112.7 | 14.8 | 0 | 0 | 109.9 | ||||
| 19 | D | 42.7 | Very low | 47.9 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -150.5 | 108.4 | 154.6 | -84.9 | -48.6 | 0 | 0 | 0 | 111.2 | G17 L21 | G17-D19 PolarHBondContact O-N 3.19Å; D19-L21 PolarHBondContact O-N 2.87Å | ||
| 20 | S | 55.3 | Low | 47.5 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -68.1 | 95.7 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 21 | L | 51.8 | Low | 47.4 | Very low | 175 Ų | 175 | 130 Ų | 130 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -145.5 | 53.5 | 166.3 | -76 | 179.3 | 0 | 0 | 0 | 112.6 | D19 | D19-L21 PolarHBondContact O-N 2.87Š| ||
| 22 | L | 47.1 | Very low | 46.8 | Very low | 173 Ų | 173 | 135 Ų | 135 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -100.2 | 108.9 | 157 | -115.6 | 160.6 | 0 | 0 | 0 | 107.7 | Q24 | L22-Q24 PolarHBondContact O-N 2.93Š| ||
| 23 | G | 44.3 | Very low | 46.9 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | -51.3 | 134 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I25 | G23-I25 PolarHBondContact O-N 3.47Š| ||
| 24 | Q | 44.5 | Very low | 46.6 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -52.9 | 119.8 | 173.7 | -72.5 | 161.4 | -27.3 | 0 | 0 | 110.9 | L22 | L22-Q24 PolarHBondContact O-N 2.93Š| ||
| 25 | I | 43.5 | Very low | 47 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -95.3 | 114.2 | 154.9 | -59.9 | 175.9 | 0 | 0 | 0 | 105.8 | G23 L27 | G23-I25 PolarHBondContact O-N 3.47Å; I25-L27 PolarHBondContact O-N 3.43Å; I25-L27 VanDerWaalsContact O-N 3.09Å | ||
| 26 | P | 48.3 | Very low | 47.3 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -69.3 | 107.9 | 175.3 | -11.1 | 25.7 | 0 | 0 | 0 | 109.1 | Y28 | P26-Y28 PolarHBondContact O-N 3.18Š| ||
| 27 | L | 48.3 | Very low | 47.2 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -76.6 | 98.4 | 163.7 | -66.3 | 176.9 | 0 | 0 | 0 | 107.6 | I25 S29 | I25-L27 PolarHBondContact O-N 3.43Å; I25-L27 VanDerWaalsContact O-N 3.09Å; L27-S29 PolarHBondContact O-N 3.07Å | ||
| 28 | Y | 41.1 | Very low | 47.2 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -76.6 | 105.4 | 168.4 | -154.6 | -107 | 0 | 0 | 0 | 108.7 | P26 S30 | P26-Y28 PolarHBondContact O-N 3.18Å; Y28-S30 VanDerWaalsContact CE1-CB 3.43Å | ||
| 29 | S | 46.3 | Very low | 46.6 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -77.8 | 113.5 | 161.2 | -168.6 | 0 | 0 | 0 | 0 | 107.4 | L27 | L27-S29 PolarHBondContact O-N 3.07Š| ||
| 30 | S | 46.3 | Very low | 46.6 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | trans | -143.3 | 98.6 | 166.7 | -168.8 | 0 | 0 | 0 | 0 | 108.2 | Y28 | Y28-S30 VanDerWaalsContact CE1-CB 3.43Š| ||
| 31 | G | 46.6 | Very low | 45.6 | Very low | 64 Ų | 64 | 150 Ų | 150 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | -68 | 127.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 32 | Y | 38.1 | Very low | 45 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -154.7 | 134.2 | 138.3 | -120.8 | -87.6 | 0 | 0 | 0 | 108.7 | ||||
| 33 | T | 54.7 | Low | 44.8 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -57.4 | 132.5 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 34 | D | 41.9 | Very low | 44.6 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -146.6 | 110.3 | 160.1 | -161.6 | 12.5 | 0 | 0 | 0 | 111.5 | ||||
| 35 | P | 56.4 | Low | 44.2 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | trans | -89.7 | 141.9 | 178.7 | 34.1 | -29.2 | 0 | 0 | 0 | 111.9 | ||||
| 36 | L | 52.7 | Low | 43.8 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | 58.4 | 90.9 | 148.6 | -121.8 | 79.8 | 0 | 0 | 0 | 117.1 | ||||
| 37 | R | 47.1 | Very low | 43.3 | Very low | 238 Ų | 238 | 142.8 Ų | 142.8 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -108.6 | 97.3 | 160.1 | -90.5 | -99.5 | 170.3 | 145.8 | -5.5 | 110.9 | ||||
| 38 | H | 43.8 | Very low | 42.7 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -56.6 | 131 | 158.8 | -74.1 | 24.5 | 0 | 0 | 0 | 109.6 | S40 | H38-S40 PolarHBondContact O-N 3.27Š| ||
| 39 | Y | 38.4 | Very low | 42.8 | Very low | 233 Ų | 233 | 136.5 Ų | 136.5 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | trans | -76.6 | 109.8 | 166.6 | -96.1 | -90.2 | 0 | 0 | 0 | 109.1 | ||||
| 40 | S | 41.8 | Very low | 42.6 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -153.6 | 110.5 | 158.4 | -75.5 | 0 | 0 | 0 | 0 | 106.6 | H38 | H38-S40 PolarHBondContact O-N 3.27Š| ||
| 41 | N | 35.5 | Very low | 42.4 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -134.4 | 96.7 | 165.6 | -120.4 | 15.5 | 0 | 0 | 0 | 108.5 | ||||
| 42 | A | 38.3 | Very low | 41.9 | Very low | 93 Ų | 93 | 150.3 Ų | 150.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -105 | 123.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 43 | A | 43.2 | Very low | 42 | Very low | 95 Ų | 95 | 149 Ų | 149 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 60 | 145.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 44 | T | 40.5 | Very low | 41.3 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 66% | 0.663 | 81% | 0.814 | S | S | * | * | cis | -170.4 | 159.5 | 29.8 | -45.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 45 | Y | 36.2 | Very low | 41.3 | Very low | 229 Ų | 229 | 152.6 Ų | 152.6 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | 98.6 | 115.6 | 158.4 | -69.5 | -77.8 | 0 | 0 | 0 | 119.8 | ||||
| 46 | G | 34.7 | Very low | 41.1 | Very low | 82 Ų | 82 | 152.9 Ų | 152.9 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 149.2 | 88.8 | 156 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 47 | A | 36.4 | Very low | 40.8 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | trans | -75.4 | 144.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 48 | A | 37.4 | Very low | 40.4 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -169 | 111.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 49 | N | 42.5 | Very low | 40.3 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | 36.6 | 100.1 | 147.6 | -98.2 | -46.5 | 0 | 0 | 0 | 120.4 | ||||
| 50 | M | 42.1 | Very low | 40.3 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -140.3 | 121.3 | 141.3 | -78.2 | -62.4 | 151.2 | 0 | 0 | 108.9 | E52 | M50-E52 PolarHBondContact O-N 3.25Š| ||
| 51 | Q | 42.3 | Very low | 40.3 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -72 | 105.3 | 177.4 | -72.1 | 168.3 | -35.5 | 0 | 0 | 109.7 | ||||
| 52 | E | 36.6 | Very low | 40.4 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -104 | 118.6 | 168.8 | -137.3 | -176 | -172.5 | 0 | 0 | 109.9 | M50 V54 | M50-E52 PolarHBondContact O-N 3.25Å; E52-V54 PolarHBondContact O-N 3.45Å | ||
| 53 | K | 40.2 | Very low | 40.6 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 104.1 | 176.9 | -72 | 176.1 | 177.6 | 178.1 | 0 | 109.1 | ||||
| 54 | V | 38.9 | Very low | 40.3 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81 | 122.7 | 167.1 | 177 | 0 | 0 | 0 | 0 | 108.9 | E52 | E52-V54 PolarHBondContact O-N 3.45Š|
| 55 | Y | 41.4 | Very low | 40.2 | Very low | 217 Ų | 217 | 147 Ų | 147 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 127.9 | 167.1 | -88.7 | -85.8 | 0 | 0 | 0 | 109.9 | ||
| 56 | P | 53.4 | Low | 40.1 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 137.2 | 172.6 | 31.4 | -30.4 | 0 | 0 | 0 | 112.1 | ||
| 57 | A | 45.3 | Very low | 40 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 130.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 58 | S | 39.1 | Very low | 39.8 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -137.1 | 113 | 169.9 | 39.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 59 | Y | 42 | Very low | 39.7 | Very low | 185 Ų | 185 | 142 Ų | 142 | 73% | 0.725 | 81% | 0.814 | S | S | * | * | 50.2 | 106.5 | 127.4 | -141.1 | -101.7 | 0 | 0 | 0 | 118.7 | Q61 | Y59-Q61 HydrophobicContact CD1-CB 4.49Å; Y59-Q61 HydrophobicContact CE1-CB 3.95Å; Y59-Q61 VanDerWaalsContact CZ-OE1 3.27Å; Y59-Q61 PolarHBondContact OH-OE1 2.87Å | |||
| 60 | Y | 39.3 | Very low | 39.2 | Very low | 239 Ų | 239 | 139.4 Ų | 139.4 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | -136.1 | 120.3 | 139.7 | -131.7 | -91.1 | 0 | 0 | 0 | 110.3 | ||||
| 61 | Q | 41.5 | Very low | 39.1 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 52% | 0.523 | 80% | 0.802 | S | S | . | * | trans | -105.6 | 120.8 | -178.8 | 177.4 | 161.1 | -12.7 | 0 | 0 | 109.7 | Y59 | Y59-Q61 HydrophobicContact CD1-CB 4.49Å; Y59-Q61 HydrophobicContact CE1-CB 3.95Å; Y59-Q61 VanDerWaalsContact CZ-OE1 3.27Å; Y59-Q61 PolarHBondContact OH-OE1 2.87Å | ||
| 62 | Q | 37.9 | Very low | 38.8 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 45.5 | 123.3 | 132.9 | -157.6 | 166.1 | 41.8 | 0 | 0 | 122.6 | ||||
| 63 | S | 42.4 | Very low | 38.7 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -157.5 | 137.3 | 139 | 52.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 64 | G | 36.5 | Very low | 38.5 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | 170.7 | 131.2 | -7.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 65 | A | 38 | Very low | 38.2 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | 62.3 | 148.8 | 157 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 66 | A | 33.3 | Very low | 38 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | cis | -160.7 | 147.5 | 8.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 67 | A | 32.9 | Very low | 37.2 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 37.6 | 122.1 | 140.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 68 | A | 33.5 | Very low | 36.8 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | -164.1 | 118.8 | 119.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 69 | A | 33.9 | Very low | 36.6 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | 26.1 | 136.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 70 | A | 33.3 | Very low | 36.3 | Very low | 88 Ų | 88 | 121 Ų | 121 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -80.8 | -174.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 71 | I | 39.5 | Very low | 36.6 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | trans | 90 | 111.3 | 160.5 | -43.6 | 171.1 | 0 | 0 | 0 | 111.3 | ||||
| 72 | Y | 35.7 | Very low | 36.9 | Very low | 223 Ų | 223 | 114.1 Ų | 114.1 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | -150.6 | 146.8 | 58.7 | -68.1 | -93.8 | 0 | 0 | 0 | 115.1 | |||||
| 73 | G | 34.8 | Very low | 37.7 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 63.2 | 107.9 | 135.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 74 | R | 35.3 | Very low | 37.4 | Very low | 248 Ų | 248 | 114 Ų | 114 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | 90.7 | 112.3 | 79.1 | -167.2 | 174.4 | -172.8 | -168.5 | 3 | 115.1 | |||||
| 75 | A | 34.1 | Very low | 38.3 | Very low | 85 Ų | 85 | 121.5 Ų | 121.5 | 70% | 0.702 | 83% | 0.828 | S | S | * | * | trans | 77.9 | 114 | 144.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 76 | A | 36.6 | Very low | 38.5 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | 73.1 | 133.1 | 120 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 77 | A | 37.2 | Very low | 39.8 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 81.4 | 127.8 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 78 | G | 35.7 | Very low | 40.2 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 87.8 | 64.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 79 | G | 34.3 | Very low | 40.3 | Very low | 91 Ų | 91 | 123.2 Ų | 123.2 | 94% | 0.938 | 81% | 0.805 | S | S | * | * | trans | -82.1 | 125.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 80 | G | 36 | Very low | 40.5 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 136.3 | 75.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 81 | A | 45.7 | Very low | 40.7 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -56.9 | 140.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 82 | P | 48.8 | Very low | 40.7 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | trans | -76.9 | 142.2 | 159.4 | 31.7 | -30.3 | 0 | 0 | 0 | 109.8 | D84 | P82-D84 PolarHBondContact O-N 3.08Š| ||
| 83 | C | 54.6 | Low | 40.9 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -61.5 | 113.8 | 177.2 | 39.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 84 | D | 36.3 | Very low | 41 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -72.4 | 121.3 | 163.2 | -67.4 | -52.9 | 0 | 0 | 0 | 109.9 | P82 | P82-D84 PolarHBondContact O-N 3.08Š| ||
| 85 | Y | 55.3 | Low | 41.1 | Very low | 228 Ų | 228 | 125.2 Ų | 125.2 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -109.4 | 113.4 | 159.5 | -167 | -94.6 | 0 | 0 | 0 | 108 | ||||
| 86 | N | 41.6 | Very low | 41.3 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -67.4 | 141.5 | -175.1 | -165 | 0.4 | 0 | 0 | 0 | 112.3 | ||||
| 87 | P | 61.6 | Low | 41.4 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -109.9 | 130.3 | 176.6 | 35.9 | -25.2 | 0 | 0 | 0 | 113.6 | ||||
| 88 | V | 40 | Very low | 41.6 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -159.3 | 128.5 | 156.4 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 89 | G | 36.5 | Very low | 41.5 | Very low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | cis | -178.9 | 157.9 | -1.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 90 | T | 37.5 | Very low | 41.8 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 79 | 132.1 | 137.7 | 20.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 91 | F | 37.7 | Very low | 41.5 | Very low | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 79.3 | 109.7 | 157.3 | -93 | -101.8 | 0 | 0 | 0 | 117.8 | ||||
| 92 | Y | 39.8 | Very low | 41.3 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | -146.2 | 138.6 | 55.2 | -100.8 | -100.1 | 0 | 0 | 0 | 114.3 | |||||
| 93 | K | 40 | Very low | 40.7 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -66 | 161.8 | 146.4 | -96.8 | 178.8 | 146.3 | -171 | 0 | 109.5 | ||||
| 94 | D | 36.6 | Very low | 39.6 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | cis | -165.3 | 156.5 | 8.3 | -92.7 | -46 | 0 | 0 | 0 | 104.3 | ||||
| 95 | A | 38 | Very low | 39.7 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 167.6 | 104.6 | 136 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 96 | E | 38.4 | Very low | 38.7 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -58.8 | 143.9 | 158.1 | -56.7 | -79 | 150.1 | 0 | 0 | 110.6 | ||||
| 97 | G | 37.6 | Very low | 38.3 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -167.6 | 76.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 98 | S | 41.6 | Very low | 37 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -59.6 | 136.7 | 170.5 | -175 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 99 | C | 34.4 | Very low | 37.3 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -147.9 | 98.8 | 150.6 | 63 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 100 | A | 40.1 | Very low | 37.1 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -78.5 | 134.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 101 | F | 30.1 | Very low | 36.8 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | -127.2 | 121.8 | 167.3 | -172.7 | -99.1 | 0 | 0 | 0 | 110 | ||||
| 102 | S | 41.6 | Very low | 36.5 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -77.7 | 141.7 | 174.7 | -59 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 103 | S | 36.1 | Very low | 36.3 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -143.8 | 126 | 149.8 | -70.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 104 | G | 30.9 | Very low | 36.1 | Very low | 81 Ų | 81 | 140.6 Ų | 140.6 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | cis | 114.9 | 98.5 | 33.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 105 | R | 38.8 | Very low | 35.8 | Very low | 243 Ų | 243 | 142.4 Ų | 142.4 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -67.8 | 150.4 | 175.2 | -87.8 | 177.4 | 166.4 | -177.2 | -4.6 | 112.2 | ||||
| 106 | E | 33.8 | Very low | 35.6 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 176.6 | 116 | 130.3 | -101.4 | -168.4 | 129.6 | 0 | 0 | 108.1 | ||||
| 107 | E | 32.4 | Very low | 35.4 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | 97.5 | 143.5 | 81.2 | -78.6 | -72.9 | 142.9 | 0 | 0 | 113.3 | |||||
| 108 | Q | 34.8 | Very low | 35.6 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | -81 | -167.3 | -160.7 | -78.6 | -96.6 | 38.9 | 0 | 0 | 114.1 | ||||
| 109 | P | 47.4 | Very low | 35.3 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | cis | -156.1 | -179.5 | 17.5 | 47.5 | -24.7 | 0 | 0 | 0 | 121.5 | ||||
| 110 | L | 32.3 | Very low | 35.2 | Very low | 154 Ų | 154 | 157.1 Ų | 157.1 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 77.9 | 117.5 | 150.5 | -53.3 | -171.6 | 0 | 0 | 0 | 124.8 | ||||
| 111 | F | 30.7 | Very low | 35 | Very low | 200 Ų | 200 | 157.2 Ų | 157.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | -168.6 | 160.8 | 100.7 | -161.8 | -100.3 | 0 | 0 | 0 | 112.3 | |||||
| 112 | V | 32 | Very low | 35.3 | Very low | 102 Ų | 102 | 157.6 Ų | 157.6 | 62% | 0.618 | 80% | 0.8 | S | S | * | * | trans | -105.4 | 148.3 | -154.3 | 163.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 113 | T | 33.8 | Very low | 34.6 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -167.1 | 111.5 | 132.1 | 50 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 114 | Q | 35.8 | Very low | 35 | Very low | 170 Ų | 170 | 156.9 Ų | 156.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | 51 | 116.7 | 96.3 | -160.4 | 167.4 | 27.6 | 0 | 0 | 112.5 | |||||
| 115 | E | 31 | Very low | 35.2 | Very low | 167 Ų | 167 | 161.2 Ų | 161.2 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | cis | -164.2 | 170.4 | 48.3 | -143.7 | 180 | 161.5 | 0 | 0 | 113.6 | ||||
| 116 | H | 34.4 | Very low | 35.1 | Very low | 152 Ų | 152 | 158 Ų | 158 | 70% | 0.704 | 79% | 0.793 | S | S | * | * | trans | -38.6 | 151 | 179.8 | -83.9 | 54.8 | 0 | 0 | 0 | 116.9 | ||||
| 117 | Q | 34.3 | Very low | 35.7 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | -171.7 | 142.6 | 72 | -154 | 154.1 | 23 | 0 | 0 | 113.3 | |||||
| 118 | Q | 40.3 | Very low | 35.9 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | -50.1 | 143.5 | 179.1 | -70.4 | 103.4 | -37.9 | 0 | 0 | 115.2 | ||||
| 119 | R | 35.2 | Very low | 36.4 | Very low | 245 Ų | 245 | 148 Ų | 148 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | -161.7 | 130.1 | 120.2 | -85.4 | -134 | -81.2 | -123.4 | -0.8 | 113.1 | |||||
| 120 | K | 33.5 | Very low | 35.9 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | trans | -35.9 | 147.3 | 169 | -75.9 | 177.2 | 165.2 | -173 | 0 | 115.7 | ||||
| 121 | A | 35.4 | Very low | 36.5 | Very low | 98 Ų | 98 | 149 Ų | 149 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | 179.4 | 113.2 | 99.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 122 | E | 37.1 | Very low | 36.6 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -68.8 | 132.5 | 154.4 | -177.7 | -179.1 | 163.3 | 0 | 0 | 108.6 | ||||
| 123 | C | 27.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 142 Ų | 142 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -163.4 | 97.6 | 151.4 | -160.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 124 | A | 42.9 | Very low | 38.1 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -77.4 | 156 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 125 | E | 36.5 | Very low | 38.8 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 76.6 | 106.1 | 166.1 | -49.3 | -150.4 | 145.9 | 0 | 0 | 117.2 | ||||
| 126 | Q | 36.8 | Very low | 39.5 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | -170 | 100.2 | 120.5 | -100.2 | 157.6 | 48.4 | 0 | 0 | 109.9 | V128 | Q126-V128 VanDerWaalsContact C-N 3.26Å; Q126-V128 HydrophobicContact CB-CG2 4.2Å; Q126-V128 PolarHBondContact O-N 3.13Å | |||
| 127 | A | 46.2 | Very low | 40.3 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -69.9 | 88.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | S129 | A127-S129 PolarHBondContact O-N 3.27Š| ||
| 128 | V | 37 | Very low | 41 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | -91.3 | 102.3 | 170.7 | 162.9 | 0 | 0 | 0 | 0 | 108.1 | Q126 M130 | Q126-V128 VanDerWaalsContact C-N 3.26Å; Q126-V128 HydrophobicContact CB-CG2 4.2Å; Q126-V128 PolarHBondContact O-N 3.13Å; V128-M130 HydrophobicContact CG1-CE 3.51Å; V128-M130 HydrophobicContact CG1-CG 3.61Å; V128-M130 HydrophobicContact CG1-SD 4.43Å; V128-M130 PolarHBondContact O-N 3.4Å | ||
| 129 | S | 45.4 | Very low | 41.9 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -55.7 | 99.4 | 157.6 | 147.5 | 0 | 0 | 0 | 0 | 108.6 | A127 | A127-S129 PolarHBondContact O-N 3.27Š| ||
| 130 | M | 36.1 | Very low | 43.7 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | trans | -102.3 | 89.8 | 162.4 | -78.6 | -69 | 131.4 | 0 | 0 | 108.8 | V128 G132 | V128-M130 HydrophobicContact CG1-CE 3.51Å; V128-M130 HydrophobicContact CG1-CG 3.61Å; V128-M130 HydrophobicContact CG1-SD 4.43Å; V128-M130 PolarHBondContact O-N 3.4Å; M130-G132 PolarHBondContact O-N 3.49Å | ||
| 131 | S | 45.2 | Very low | 45.9 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -66 | 79 | 150.9 | 170 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 132 | G | 33 | Very low | 48.2 | Very low | 52 Ų | 52 | 123.8 Ų | 123.8 | 54% | 0.536 | 72% | 0.723 | S | S | . | * | trans | -95.1 | 102.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | M130 I134 | M130-G132 PolarHBondContact O-N 3.49Å; G132-I134 PolarHBondContact O-N 3.09Å | ||
| 133 | S | 49.8 | Very low | 50.6 | Low | 103 Ų | 103 | 120.5 Ų | 120.5 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | trans | -62.2 | 100.7 | 163.5 | -157.3 | 0 | 0 | 0 | 0 | 107.5 | D135 | S133-D135 PolarHBondContact OG-OD2 3.41Š| ||
| 134 | I | 47.5 | Very low | 53.4 | Low | 143 Ų | 143 | 119.6 Ų | 119.6 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | trans | -108.1 | 86 | 167.7 | -58.3 | 171.2 | 0 | 0 | 0 | 105.5 | G132 D136 | G132-I134 PolarHBondContact O-N 3.09Å; I134-D136 HydrophobicContact CG2-CB 3.72Å; I134-D136 PolarHBondContact O-N 3.17Å | ||
| 135 | D | 50.5 | Low | 55.5 | Low | 138 Ų | 138 | 125.4 Ų | 125.4 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | trans | -67.6 | 77.3 | 159.3 | -74.4 | -77.5 | 0 | 0 | 0 | 108.3 | S133 | S133-D135 PolarHBondContact OG-OD2 3.41Š| ||
| 136 | D | 45.5 | Very low | 57.9 | Low | 126 Ų | 126 | 120.9 Ų | 120.9 | 67% | 0.674 | 68% | 0.681 | S | S | * | * | trans | -129.2 | 90.8 | 167.9 | -139.3 | -28.2 | 0 | 0 | 0 | 107.8 | I134 S138 | I134-D136 HydrophobicContact CG2-CB 3.72Å; I134-D136 PolarHBondContact O-N 3.17Å; D136-S138 PolarHBondContact O-N 3.22Å | ||
| 137 | K | 50 | Low | 60.1 | Low | 193 Ų | 193 | 117.7 Ų | 117.7 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | trans | -71.2 | 61.2 | 178.2 | -71.6 | 172.7 | 177.7 | 166.1 | 0 | 110.2 | S139 | K137-S139 PolarHBondContact O-N 2.99Š| ||
| 138 | S | 49.6 | Very low | 61.7 | Low | 97 Ų | 97 | 119.6 Ų | 119.6 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | trans | -76.4 | 65.3 | 147 | 59.7 | 0 | 0 | 0 | 0 | 107.6 | D136 T140 | D136-S138 PolarHBondContact O-N 3.22Å; S138-T140 PolarHBondContact O-N 3.31Å | ||
| 139 | S | 60.5 | Low | 63.1 | Low | 87 Ų | 87 | 122.8 Ų | 122.8 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | trans | -62.5 | 83.7 | 165.7 | 163.1 | 0 | 0 | 0 | 0 | 106.3 | K137 L141 | K137-S139 PolarHBondContact O-N 2.99Å; S139-L141 PolarHBondContact O-N 3.24Å | ||
| 140 | T | 71.1 | Confident | 64 | Low | 109 Ų | 109 | 125.1 Ų | 125.1 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | trans | -50.4 | 110 | 169.9 | -59.9 | 0 | 0 | 0 | 0 | 104.9 | S138 I142 | S138-T140 PolarHBondContact O-N 3.31Å; T140-I142 WeakPolarHBondContact O-CG1 3.35Å; T140-I142 PolarHBondContact O-N 3.44Å | ||
| 141 | L | 80.3 | Confident | 65 | Low | 113 Ų | 113 | 120.4 Ų | 120.4 | 59% | 0.592 | 65% | 0.65 | S | S | * | * | trans | -63.7 | 101.1 | -173.4 | -66 | 177.6 | 0 | 0 | 0 | 107.3 | S139 Y143 M146 | S139-L141 PolarHBondContact O-N 3.24Å; L141-Y143 VanDerWaalsContact C-N 3.29Å; L141-Y143 WeakPolarHBondContact O-CD2 3.34Å; L141-Y143 PolarHBondContact O-N 3.32Å; L141-M146 WeakPolarHBondContact O-CE 3.44Å | ||
| 142 | I | 84.3 | Confident | 65 | Low | 106 Ų | 106 | 119.9 Ų | 119.9 | 54% | 0.544 | 65% | 0.645 | S | S | . | * | trans | -76.2 | 91.2 | 177 | -54.2 | -178.1 | 0 | 0 | 0 | 107.1 | T140 M146 Q147 | T140-I142 WeakPolarHBondContact O-CG1 3.35Å; T140-I142 PolarHBondContact O-N 3.44Å; I142-M146 HydrophobicContact CG2-CB 3.97Å; I142-M146 HydrophobicContact CG2-CE 4.47Å; I142-Q147 HydrophobicContact CG2-CG 3.57Å | ||
| 143 | Y | 86.5 | Confident | 65.9 | Low | 128 Ų | 128 | 123.2 Ų | 123.2 | 50% | 0.502 | 66% | 0.66 | S | S | . | * | trans | -53.4 | 145.2 | 171.7 | -60.9 | -70.9 | 0 | 0 | 0 | 110.9 | L141 W145 M146 | L141-Y143 VanDerWaalsContact C-N 3.29Å; L141-Y143 WeakPolarHBondContact O-CD2 3.34Å; L141-Y143 PolarHBondContact O-N 3.32Å; Y143-W145 VanDerWaalsContact CB-NE1 3.27Å; Y143-W145 AromaticContact CG-NE1 3.83Å; Y143-W145 PolarHBondContact O-N 3.32Å; Y143-M146 HydrophobicContact CD2-CE 3.5Å; Y143-M146 HydrophobicContact CD2-SD 4.2Å; Y143-M146 HydrophobicContact CE2-CE 4.34Å; Y143-M146 HydrophobicContact CG-CE 4.22Å; Y143-M146 WeakPolarHBondContact O-CB 3.43Å; Y143-M146 PolarHBondContact O-N 3.02Å | ||
| 144 | P | 87 | Confident | 66.1 | Low | 101 Ų | 101 | 121.4 Ų | 121.4 | 66% | 0.656 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -29 | -175.4 | -30.4 | 36 | 0 | 0 | 0 | 115.4 | Q147 | P144-Q147 WeakPolarHBondContact O-CB 3.47Å; P144-Q147 PolarHBondContact O-N 3.3Å |
| 145 | W | 87.3 | Confident | 66.4 | Low | 203 Ų | 203 | 116.9 Ų | 116.9 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -23.3 | 177 | 65.2 | -94 | 0 | 0 | 0 | 113.9 | Y143 Q147 | Y143-W145 VanDerWaalsContact CB-NE1 3.27Å; Y143-W145 AromaticContact CG-NE1 3.83Å; Y143-W145 PolarHBondContact O-N 3.32Å; W145-Q147 VanDerWaalsContact C-N 3.25Å |
| 146 | M | 87.2 | Confident | 66.6 | Low | 78 Ų | 78 | 116.5 Ų | 116.5 | 38% | 0.384 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -15.2 | 175.5 | -62.6 | -164.3 | -53.7 | 0 | 0 | 111.7 | L141 I142 Y143 R148 | L141-M146 WeakPolarHBondContact O-CE 3.44Å; I142-M146 HydrophobicContact CG2-CB 3.97Å; I142-M146 HydrophobicContact CG2-CE 4.47Å; Y143-M146 HydrophobicContact CD2-CE 3.5Å; Y143-M146 HydrophobicContact CD2-SD 4.2Å; Y143-M146 HydrophobicContact CE2-CE 4.34Å; Y143-M146 HydrophobicContact CG-CE 4.22Å; Y143-M146 WeakPolarHBondContact O-CB 3.43Å; Y143-M146 PolarHBondContact O-N 3.02Å; M146-R148 PolarHBondContact O-N 3.13Å |
| 147 | Q | 82.6 | Confident | 67 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 51% | 0.509 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -73.7 | 121.1 | 176.8 | -60.3 | -179.1 | -15.8 | 0 | 0 | 109.5 | I142 P144 W145 M149 | I142-Q147 HydrophobicContact CG2-CG 3.57Å; P144-Q147 WeakPolarHBondContact O-CB 3.47Å; P144-Q147 PolarHBondContact O-N 3.3Å; W145-Q147 VanDerWaalsContact C-N 3.25Å; Q147-M149 PolarHBondContact O-N 3.4Å |
| 148 | R | 80 | Confident | 67 | Low | 151 Ų | 151 | 112.8 Ų | 112.8 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | trans | -68.9 | 104.2 | 167 | -81.1 | -170.8 | -159.4 | 147.1 | 11.3 | 108.1 | M146 N150 A151 | M146-R148 PolarHBondContact O-N 3.13Å; R148-N150 PolarHBondContact O-N 3.45Å; R148-A151 HydrophobicContact CB-CB 3.77Å; R148-A151 PolarHBondContact O-N 3.47Å | ||
| 149 | M | 66.2 | Low | 67 | Low | 157 Ų | 157 | 113.4 Ų | 113.4 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -9 | 174.9 | -135 | 97.5 | 76.6 | 0 | 0 | 114.6 | Q147 | Q147-M149 PolarHBondContact O-N 3.4Š|
| 150 | N | 64.1 | Low | 66.8 | Low | 158 Ų | 158 | 114.6 Ų | 114.6 | 85% | 0.845 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 8.7 | -175.6 | -47.9 | -3.2 | 0 | 0 | 0 | 112.8 | R148 | R148-N150 PolarHBondContact O-N 3.45Š|
| 151 | A | 56.3 | Low | 66 | Low | 59 Ų | 59 | 112 Ų | 112 | 49% | 0.488 | 64% | 0.64 | S | S | . | * | trans | -100.7 | -4.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R148 S153 | R148-A151 HydrophobicContact CB-CB 3.77Å; R148-A151 PolarHBondContact O-N 3.47Å; A151-S153 PolarHBondContact O-N 3.09Å | ||
| 152 | C | 45.4 | Very low | 65.2 | Low | 107 Ų | 107 | 115.6 Ų | 115.6 | 72% | 0.723 | 65% | 0.646 | S | S | * | * | trans | -98.1 | 67.2 | -177.2 | 36 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 153 | S | 51.9 | Low | 64.8 | Low | 122 Ų | 122 | 122.3 Ų | 122.3 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | trans | -163.2 | 50.9 | 154.3 | -77.7 | 0 | 0 | 0 | 0 | 108.4 | A151 | A151-S153 PolarHBondContact O-N 3.09Š| ||
| 154 | A | 53.7 | Low | 64.5 | Low | 64 Ų | 64 | 119.6 Ų | 119.6 | 53% | 0.529 | 68% | 0.676 | S | S | . | * | trans | -108.7 | 90.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 155 | G | 54.1 | Low | 64.6 | Low | 48 Ų | 48 | 126.4 Ų | 126.4 | 50% | 0.495 | 69% | 0.688 | S | S | . | * | trans | -61 | 174.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | F157 G158 | G155-F157 PolarHBondContact O-N 2.96Å; G155-G158 PolarHBondContact O-N 3.07Å | ||
| 156 | P | 56 | Low | 64.9 | Low | 131 Ų | 131 | 124 Ų | 124 | 85% | 0.851 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -6.7 | -173.3 | -24 | 33.4 | 0 | 0 | 0 | 116.2 | ||
| 157 | F | 52.8 | Low | 65.3 | Low | 207 Ų | 207 | 125.4 Ų | 125.4 | 91% | 0.908 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 8.8 | 178.5 | -55.5 | -72.4 | 0 | 0 | 0 | 114 | G155 S159 | G155-F157 PolarHBondContact O-N 2.96Å; F157-S159 PolarHBondContact O-N 3.07Å |
| 158 | G | 49.2 | Very low | 66 | Low | 33 Ų | 33 | 123.4 Ų | 123.4 | 34% | 0.34 | 69% | 0.687 | S | S | . | * | trans | -88.1 | 101.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G155 S160 | G155-G158 PolarHBondContact O-N 3.07Å; G158-S160 PolarHBondContact O-N 3.15Å | ||
| 159 | S | 50.5 | Low | 66.9 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -40 | 125 | 170 | 58.8 | 0 | 0 | 0 | 0 | 111 | F157 G161 | F157-S159 PolarHBondContact O-N 3.07Å; S159-G161 PolarHBondContact O-N 3.44Å | ||
| 160 | S | 56.4 | Low | 68.5 | Low | 112 Ų | 112 | 122.5 Ų | 122.5 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | trans | -69.5 | 53.7 | 170.7 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | G158 R162 | G158-S160 PolarHBondContact O-N 3.15Å; S160-R162 PolarHBondContact O-N 2.92Å; S160-R162 VanDerWaalsContact O-N 3.12Å | ||
| 161 | G | 54.9 | Low | 70.1 | Confident | 54 Ų | 54 | 121.2 Ų | 121.2 | 56% | 0.557 | 67% | 0.668 | S | S | * | * | trans | -80.9 | 95.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S159 R163 | S159-G161 PolarHBondContact O-N 3.44Å; G161-R163 PolarHBondContact O-N 3.46Å | ||
| 162 | R | 63.1 | Low | 72.1 | Confident | 188 Ų | 188 | 119.6 Ų | 119.6 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | trans | -51.2 | 109.9 | 151.2 | -68 | -179.8 | 179.3 | -115.3 | 6.9 | 106.1 | S160 G164 | S160-R162 PolarHBondContact O-N 2.92Å; S160-R162 VanDerWaalsContact O-N 3.12Å; R162-G164 PolarHBondContact O-N 2.89Å | ||
| 163 | R | 75.2 | Confident | 74.6 | Confident | 247 Ų | 247 | 116.7 Ų | 116.7 | 93% | 0.932 | 63% | 0.629 | S | S | * | * | trans | -53.5 | 111.2 | 172.4 | -75.7 | -177.5 | -177.8 | -129.2 | 2.1 | 107.1 | G161 R165 | G161-R163 PolarHBondContact O-N 3.46Å; R163-R165 PolarHBondContact O-N 3.19Å | ||
| 164 | G | 80 | Confident | 76.9 | Confident | 72 Ų | 72 | 115.1 Ų | 115.1 | 74% | 0.742 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 133.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R162 Q166 | R162-G164 PolarHBondContact O-N 2.89Å; G164-Q166 PolarHBondContact O-N 3.22Å |
| 165 | R | 89.6 | Confident | 79 | Confident | 243 Ų | 243 | 114.4 Ų | 114.4 | 92% | 0.917 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 117.2 | 172.8 | -77.7 | -179.4 | 176.1 | -91.6 | 1.5 | 107.7 | R163 T167 | R163-R165 PolarHBondContact O-N 3.19Å; R165-T167 PolarHBondContact O-N 3.22Å |
| 166 | Q | 93.4 | Very high | 81.1 | Confident | 152 Ų | 152 | 112.1 Ų | 112.1 | 71% | 0.71 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -67 | 131.5 | 167.6 | -174.8 | 57.9 | 46.9 | 0 | 0 | 109.4 | G164 | G164-Q166 PolarHBondContact O-N 3.22Š|
| 167 | T | 96 | Very high | 83.2 | Confident | 109 Ų | 109 | 109.3 Ų | 109.3 | 67% | 0.669 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -89.2 | 144.8 | 170.4 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | R165 | R165-T167 PolarHBondContact O-N 3.22Š|
| 168 | Y | 98.2 | Very high | 85.3 | Confident | 67 Ų | 67 | 105 Ų | 105 | 26% | 0.263 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 147.6 | 173 | -59.2 | -47.2 | 0 | 0 | 0 | 110.1 | L200 W208 | Y168-L200 HydrophobicContact CD1-CD1 4Å; Y168-L200 HydrophobicContact CD1-CD2 3.8Å; Y168-L200 HydrophobicContact CE1-CD1 3.93Å; Y168-L200 HydrophobicContact CE1-CD2 3.63Å; Y168-L200 HydrophobicContact CE1-CG 4.45Å; Y168-W208 AromaticContact CD2-CD1 3.86Å; Y168-W208 AromaticContact CE2-CD1 3.61Å |
| 169 | T | 98.6 | Very high | 87.7 | Confident | 75 Ų | 75 | 104.1 Ų | 104.1 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -68 | 163.9 | 174.9 | 72.9 | 0 | 0 | 0 | 0 | 110.6 | Y171 Q172 T173 | T169-Y171 VanDerWaalsContact C-N 3.31Å; T169-Y171 PolarHBondContact O-N 3.05Å; T169-Q172 PolarHBondContact O-N 3.05Å; T169-Q172 VanDerWaalsContact OG1-CG 3.3Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.34Å; T169-Q172 PolarHBondContact OG1-N 3.27Å; T169-T173 PolarHBondContact O-N 2.94Å; T169-T173 PolarHBondContact O-OG1 3.34Å |
| 170 | R | 98.4 | Very high | 90 | Very high | 213 Ų | 213 | 98.9 Ų | 98.9 | 80% | 0.804 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.6 | -45.9 | 175.2 | -174.6 | 176.1 | -178.1 | 179.6 | 0.1 | 111.4 | T173 L174 | R170-T173 PolarHBondContact O-N 3.36Å; R170-L174 HydrophobicContact CG-CD1 4.1Å; R170-L174 WeakPolarHBondContact O-CG 3.32Å; R170-L174 PolarHBondContact O-N 2.87Å |
| 171 | Y | 98.5 | Very high | 91.9 | Very high | 132 Ų | 132 | 98.8 Ų | 98.8 | 52% | 0.518 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.5 | -49 | 177.6 | 173.2 | -105.8 | 0 | 0 | 0 | 112.1 | T169 T173 L174 E175 L198 | T169-Y171 VanDerWaalsContact C-N 3.31Å; T169-Y171 PolarHBondContact O-N 3.05Å; Y171-T173 VanDerWaalsContact C-N 3.29Å; Y171-T173 PolarHBondContact O-N 3.01Å; Y171-L174 PolarHBondContact O-N 3.08Å; Y171-E175 HydrophobicContact CD2-CG 4.33Å; Y171-E175 HydrophobicContact CE1-CG 4.4Å; Y171-E175 HydrophobicContact CE2-CG 3.76Å; Y171-E175 PolarHBondContact O-N 3.34Å; Y171-L198 HydrophobicContact CD1-CD2 4.19Å; Y171-L198 HydrophobicContact CE1-CD2 3.63Å |
| 172 | Q | 98.6 | Very high | 94 | Very high | 25 Ų | 25 | 104.4 Ų | 104.4 | 12% | 0.117 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 177.5 | -73.1 | 172.7 | -26.1 | 0 | 0 | 111.8 | T169 L176 L198 | T169-Q172 PolarHBondContact O-N 3.05Å; T169-Q172 VanDerWaalsContact OG1-CG 3.3Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.34Å; T169-Q172 PolarHBondContact OG1-N 3.27Å; Q172-L176 WeakPolarHBondContact O-CB 3.49Å; Q172-L176 WeakPolarHBondContact O-CD1 3.48Å; Q172-L176 WeakPolarHBondContact O-CG 3.35Å; Q172-L176 PolarHBondContact O-N 3.23Å; Q172-L176 VanDerWaalsContact O-N 3.08Å; Q172-L198 HydrophobicContact CG-CB 4.29Å; Q172-L198 PolarHBondContact NE2-O 3.29Å |
| 173 | T | 98.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 98.9 Ų | 98.9 | 28% | 0.276 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 179.8 | -55 | 0 | 0 | 0 | 0 | 111.5 | T169 R170 Y171 L176 E177 | T169-T173 PolarHBondContact O-N 2.94Å; T169-T173 PolarHBondContact O-OG1 3.34Å; R170-T173 PolarHBondContact O-N 3.36Å; Y171-T173 VanDerWaalsContact C-N 3.29Å; Y171-T173 PolarHBondContact O-N 3.01Å; T173-L176 PolarHBondContact O-N 3.22Å; T173-E177 WeakPolarHBondContact O-CG 3.37Å; T173-E177 PolarHBondContact O-N 3.09Å |
| 174 | L | 98.5 | Very high | 96.7 | Very high | 90 Ų | 90 | 90.8 Ų | 90.8 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | -179.9 | -71.6 | 172.5 | 0 | 0 | 0 | 112.4 | R170 Y171 L176 E177 K178 | R170-L174 HydrophobicContact CG-CD1 4.1Å; R170-L174 WeakPolarHBondContact O-CG 3.32Å; R170-L174 PolarHBondContact O-N 2.87Å; Y171-L174 PolarHBondContact O-N 3.08Å; L174-L176 VanDerWaalsContact C-N 3.32Å; L174-L176 PolarHBondContact O-N 2.97Å; L174-E177 PolarHBondContact O-N 2.71Å; L174-K178 WeakPolarHBondContact O-CB 3.4Å; L174-K178 PolarHBondContact O-N 3.43Å |
| 175 | E | 98.6 | Very high | 97.6 | Very high | 49 Ų | 49 | 94.3 Ų | 94.3 | 23% | 0.229 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 177.7 | -75 | -61.3 | 127.8 | 0 | 0 | 111.7 | Y171 K178 E179 L198 | Y171-E175 HydrophobicContact CD2-CG 4.33Å; Y171-E175 HydrophobicContact CE1-CG 4.4Å; Y171-E175 HydrophobicContact CE2-CG 3.76Å; Y171-E175 PolarHBondContact O-N 3.34Å; E175-K178 PolarHBondContact O-N 3.01Å; E175-K178 IonicContact OE1-NZ 3.24Å; E175-K178 PolarHBondContact OE1-NZ 3.14Å; E175-K178 IonicContact OE2-NZ 3.07Å; E175-K178 PolarHBondContact OE2-NZ 3.43Å; E175-E179 WeakPolarHBondContact O-CB 3.46Å; E175-E179 WeakPolarHBondContact O-CG 3.41Å; E175-E179 PolarHBondContact O-N 3.18Å; E175-L198 HydrophobicContact CB-CD1 4.09Å; E175-L198 HydrophobicContact CB-CD2 3.73Å; E175-L198 HydrophobicContact CB-CG 4.48Å; E175-L198 HydrophobicContact CG-CD2 4.01Å |
| 176 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 174 | -71.5 | 167.5 | 0 | 0 | 0 | 112.5 | Q172 T173 L174 F180 I194 L198 L200 I205 W208 F209 | Q172-L176 WeakPolarHBondContact O-CB 3.49Å; Q172-L176 WeakPolarHBondContact O-CD1 3.48Å; Q172-L176 WeakPolarHBondContact O-CG 3.35Å; Q172-L176 PolarHBondContact O-N 3.23Å; Q172-L176 VanDerWaalsContact O-N 3.08Å; T173-L176 PolarHBondContact O-N 3.22Å; L174-L176 VanDerWaalsContact C-N 3.32Å; L174-L176 PolarHBondContact O-N 2.97Å; L176-F180 WeakPolarHBondContact O-CB 3.44Å; L176-F180 PolarHBondContact O-N 3.19Å; L176-I194 HydrophobicContact CD2-CG2 4.24Å; L176-L198 HydrophobicContact CD1-CD1 4.46Å; L176-L198 HydrophobicContact CD2-CD1 3.95Å; L176-L198 HydrophobicContact CG-CD1 3.75Å; L176-L200 HydrophobicContact CD1-CD1 4.25Å; L176-I205 HydrophobicContact CD2-CD1 3.77Å; L176-W208 VanDerWaalsContact C-CH2 3.46Å; L176-W208 HydrophobicContact CB-CD2 3.9Å; L176-W208 HydrophobicContact CB-CE3 3.91Å; L176-W208 HydrophobicContact CB-CH2 3.6Å; L176-W208 HydrophobicContact CB-CZ2 3.57Å; L176-W208 HydrophobicContact CB-CZ3 3.76Å; L176-W208 HydrophobicContact CD1-CD2 3.85Å; L176-W208 HydrophobicContact CD1-CG 3.82Å; L176-W208 HydrophobicContact CD1-CZ2 4.49Å; L176-W208 HydrophobicContact CD2-CD2 4.33Å; L176-W208 HydrophobicContact CD2-CE3 4.25Å; L176-W208 HydrophobicContact CG-CD2 4.25Å; L176-W208 HydrophobicContact CG-CE3 4.46Å; L176-W208 WeakPolarHBondContact O-CH2 2.76Å; L176-W208 WeakPolarHBondContact O-CZ3 3.3Å; L176-F209 HydrophobicContact CD2-CE2 4.07Å |
| 177 | E | 98.6 | Very high | 98.2 | Very high | 72 Ų | 72 | 80.9 Ų | 80.9 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 175.6 | -75.1 | -172.4 | 171.4 | 0 | 0 | 111.9 | T173 L174 E179 F180 H181 W208 | T173-E177 WeakPolarHBondContact O-CG 3.37Å; T173-E177 PolarHBondContact O-N 3.09Å; L174-E177 PolarHBondContact O-N 2.71Å; E177-E179 PolarHBondContact O-N 3.5Å; E177-F180 CarbonylContact O-C 3.53Å; E177-F180 WeakPolarHBondContact O-CB 3.33Å; E177-F180 PolarHBondContact O-N 3.15Å; E177-F180 VanDerWaalsContact O-N 3.15Å; E177-H181 PolarHBondContact O-CD2 3.11Å; E177-H181 PolarHBondContact O-N 3.46Å; E177-W208 HydrophobicContact CG-CH2 3.94Å; E177-W208 HydrophobicContact CG-CZ2 3.99Å |
| 178 | K | 98.5 | Very high | 98.3 | Very high | 116 Ų | 116 | 82.2 Ų | 82.2 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.6 | -50.3 | 174.2 | 172.7 | -176.8 | 158.4 | -155 | 0 | 111.5 | L174 E175 F180 H181 F182 | L174-K178 WeakPolarHBondContact O-CB 3.4Å; L174-K178 PolarHBondContact O-N 3.43Å; E175-K178 PolarHBondContact O-N 3.01Å; E175-K178 IonicContact OE1-NZ 3.24Å; E175-K178 PolarHBondContact OE1-NZ 3.14Å; E175-K178 IonicContact OE2-NZ 3.07Å; E175-K178 PolarHBondContact OE2-NZ 3.43Å; K178-F180 VanDerWaalsContact C-N 3.31Å; K178-F180 PolarHBondContact O-N 3.42Å; K178-H181 PolarHBondContact O-N 3.32Å; K178-F182 PolarHBondContact O-N 3.15Å; K178-F182 VanDerWaalsContact O-N 3.07Å |
| 179 | E | 98.4 | Very high | 98.3 | Very high | 15 Ų | 15 | 87.9 Ų | 87.9 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 176.2 | -72.6 | -64 | 135.2 | 0 | 0 | 112 | E175 E177 H181 F182 N183 R190 I194 F209 | E175-E179 WeakPolarHBondContact O-CB 3.46Å; E175-E179 WeakPolarHBondContact O-CG 3.41Å; E175-E179 PolarHBondContact O-N 3.18Å; E177-E179 PolarHBondContact O-N 3.5Å; E179-H181 VanDerWaalsContact C-N 3.32Å; E179-H181 PolarHBondContact O-N 3.09Å; E179-F182 PolarHBondContact O-N 3.09Å; E179-N183 PolarHBondContact O-N 3.2Å; E179-R190 IonicContact OE1-CZ 3.81Å; E179-R190 IonicContact OE1-NE 2.67Å; E179-R190 IonicContact OE1-NH2 4Å; E179-R190 PolarHBondContact OE1-NH2 3.38Å; E179-R190 IonicContact OE2-CZ 2.83Å; E179-R190 IonicContact OE2-NE 3.38Å; E179-R190 PolarHBondContact OE2-NE 3.48Å; E179-R190 IonicContact OE2-NH2 3.68Å; E179-R190 PolarHBondContact OE2-NH2 3.35Å; E179-R190 VanDerWaalsContact OE2-NH2 3.07Å; E179-I194 HydrophobicContact CB-CD1 4.06Å; E179-I194 HydrophobicContact CG-CD1 3.67Å; E179-I194 HydrophobicContact CG-CG1 4.11Å; E179-F209 HydrophobicContact CB-CZ 4.06Å |
| 180 | F | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 175.4 | -176 | -104.2 | 0 | 0 | 0 | 111.8 | L176 E177 K178 F182 N183 R184 W208 F209 R212 R213 W216 | L176-F180 WeakPolarHBondContact O-CB 3.44Å; L176-F180 PolarHBondContact O-N 3.19Å; E177-F180 CarbonylContact O-C 3.53Å; E177-F180 WeakPolarHBondContact O-CB 3.33Å; E177-F180 PolarHBondContact O-N 3.15Å; E177-F180 VanDerWaalsContact O-N 3.15Å; K178-F180 VanDerWaalsContact C-N 3.31Å; K178-F180 PolarHBondContact O-N 3.42Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F180-N183 CarbonylContact O-C 3.59Å; F180-R184 HydrophobicContact CE2-CB 3.94Å; F180-R184 HydrophobicContact CE2-CG 4.48Å; F180-R184 HydrophobicContact CZ-CB 4.24Å; F180-R184 HydrophobicContact CZ-CG 4.36Å; F180-R184 WeakPolarHBondContact O-CD 3.41Å; F180-R184 PolarHBondContact O-NE 2.63Å; F180-W208 HydrophobicContact CB-CH2 4.34Å; F180-W208 HydrophobicContact CB-CZ3 4.05Å; F180-F209 HydrophobicContact CB-CE1 4.19Å; F180-F209 HydrophobicContact CB-CZ 4.29Å; F180-F209 AromaticContact CD2-CD1 3.95Å; F180-F209 HydrophobicContact CD2-CD1 3.95Å; F180-F209 AromaticContact CD2-CE1 3.87Å; F180-F209 HydrophobicContact CD2-CE1 3.87Å; F180-R212 HydrophobicContact CB-CG 4.35Å; F180-R212 HydrophobicContact CD1-CG 3.61Å; F180-R212 HydrophobicContact CD2-CB 4.3Å; F180-R212 HydrophobicContact CD2-CG 3.65Å; F180-R212 HydrophobicContact CE1-CG 3.67Å; F180-R212 HydrophobicContact CE2-CB 4.31Å; F180-R212 HydrophobicContact CE2-CG 3.74Å; F180-R212 HydrophobicContact CG-CG 3.58Å; F180-R212 HydrophobicContact CZ-CG 3.75Å; F180-R213 HydrophobicContact CE2-CG 3.73Å; F180-R213 HydrophobicContact CZ-CG 4.23Å; F180-W216 HydrophobicContact CE1-CB 4.26Å; F180-W216 HydrophobicContact CE1-CG 4.31Å; F180-W216 HydrophobicContact CZ-CB 4.07Å; F180-W216 HydrophobicContact CZ-CG 4.25Å |
| 181 | H | 97.9 | Very high | 98.4 | Very high | 111 Ų | 111 | 80.6 Ų | 80.6 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 175.7 | -78.5 | -70.2 | 0 | 0 | 0 | 112.1 | E177 K178 E179 | E177-H181 PolarHBondContact O-CD2 3.11Å; E177-H181 PolarHBondContact O-N 3.46Å; K178-H181 PolarHBondContact O-N 3.32Å; E179-H181 VanDerWaalsContact C-N 3.32Å; E179-H181 PolarHBondContact O-N 3.09Å |
| 182 | F | 98.2 | Very high | 98.4 | Very high | 171 Ų | 171 | 77 Ų | 77 | 75% | 0.75 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.4 | -49.3 | 175.7 | -180 | -103.4 | 0 | 0 | 0 | 112.2 | K178 E179 F180 | K178-F182 PolarHBondContact O-N 3.15Å; K178-F182 VanDerWaalsContact O-N 3.07Å; E179-F182 PolarHBondContact O-N 3.09Å; F180-F182 VanDerWaalsContact C-N 3.34Å |
| 183 | N | 97.2 | Very high | 98.4 | Very high | 73 Ų | 73 | 79.2 Ų | 79.2 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | trans | -146.7 | 127.4 | 175.6 | -169.8 | -13.6 | 0 | 0 | 0 | 111.4 | E179 F180 Y185 | E179-N183 PolarHBondContact O-N 3.2Å; F180-N183 CarbonylContact O-C 3.59Å; N183-Y185 PolarHBondContact ND2-O 3.4Å; N183-Y185 PolarHBondContact O-N 3.36Å; N183-Y185 PolarHBondContact OD1-N 3.4Å; N183-Y185 PolarHBondContact OD1-O 3.44Å | ||
| 184 | R | 97.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 77.5 Ų | 77.5 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -73.6 | -13.6 | -175.1 | -50.1 | -31.7 | 178.5 | 97.6 | -6.6 | 111.9 | F180 R213 | F180-R184 HydrophobicContact CE2-CB 3.94Å; F180-R184 HydrophobicContact CE2-CG 4.48Å; F180-R184 HydrophobicContact CZ-CB 4.24Å; F180-R184 HydrophobicContact CZ-CG 4.36Å; F180-R184 WeakPolarHBondContact O-CD 3.41Å; F180-R184 PolarHBondContact O-NE 2.63Å; R184-R213 WeakPolarHBondContact O-CD 3.41Å |
| 185 | Y | 98.3 | Very high | 98.4 | Very high | 145 Ų | 145 | 73.7 Ų | 73.7 | 57% | 0.569 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -133.3 | 132.6 | -178 | -62.9 | -107.7 | 0 | 0 | 0 | 109.7 | N183 | N183-Y185 PolarHBondContact ND2-O 3.4Å; N183-Y185 PolarHBondContact O-N 3.36Å; N183-Y185 PolarHBondContact OD1-N 3.4Å; N183-Y185 PolarHBondContact OD1-O 3.44Å |
| 186 | L | 98.3 | Very high | 98.4 | Very high | 28 Ų | 28 | 77.9 Ų | 77.9 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | trans | -95.8 | 139.5 | 178.6 | -63.4 | 180 | 0 | 0 | 0 | 112.2 | R190 I194 I205 F209 | L186-R190 HydrophobicContact CD2-CG 3.9Å; L186-I194 HydrophobicContact CD1-CD1 3.91Å; L186-I194 HydrophobicContact CD2-CD1 3.88Å; L186-I205 HydrophobicContact CD1-CG2 3.56Å; L186-F209 HydrophobicContact CD1-CD1 4.15Å; L186-F209 HydrophobicContact CD1-CD2 3.6Å; L186-F209 HydrophobicContact CD1-CE1 3.96Å; L186-F209 HydrophobicContact CD1-CE2 3.41Å; L186-F209 VanDerWaalsContact CD1-CE2 3.41Å; L186-F209 HydrophobicContact CD1-CG 3.98Å; L186-F209 HydrophobicContact CD1-CZ 3.6Å; L186-F209 HydrophobicContact CD2-CE1 3.77Å; L186-F209 HydrophobicContact CD2-CE2 4.38Å; L186-F209 HydrophobicContact CD2-CZ 3.7Å; L186-F209 HydrophobicContact CG-CD1 3.8Å; L186-F209 HydrophobicContact CG-CD2 4.18Å; L186-F209 HydrophobicContact CG-CE1 3.52Å; L186-F209 HydrophobicContact CG-CE2 3.97Å; L186-F209 HydrophobicContact CG-CG 4.12Å; L186-F209 HydrophobicContact CG-CZ 3.62Å | ||
| 187 | T | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 80.9 Ų | 80.9 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | trans | -73.1 | 167.1 | 163.9 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | R190 R191 | T187-R190 WeakPolarHBondContact OG1-CB 3.33Å; T187-R190 PolarHBondContact OG1-N 2.83Å; T187-R191 WeakPolarHBondContact O-CB 3.44Å; T187-R191 PolarHBondContact O-N 2.86Å | ||
| 188 | R | 98.3 | Very high | 98.3 | Very high | 137 Ų | 137 | 77.8 Ų | 77.8 | 52% | 0.517 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 177 | -179.7 | 66.5 | 179.8 | 88.9 | -9.2 | 111.9 | R191 I192 E202 | R188-R191 WeakPolarHBondContact O-CB 3.47Å; R188-R191 PolarHBondContact O-N 3Å; R188-I192 WeakPolarHBondContact O-CG1 3.45Å; R188-I192 PolarHBondContact O-N 3.06Å; R188-E202 VanDerWaalsContact CZ-CD 3.49Å; R188-E202 IonicContact CZ-OE1 3.83Å; R188-E202 VanDerWaalsContact CZ-OE1 3.24Å; R188-E202 IonicContact CZ-OE2 2.71Å; R188-E202 IonicContact NE-OE2 3.89Å; R188-E202 IonicContact NH1-OE1 2.87Å; R188-E202 PolarHBondContact NH1-OE1 3.18Å; R188-E202 IonicContact NH1-OE2 3.19Å; R188-E202 PolarHBondContact NH1-OE2 2.7Å; R188-E202 VanDerWaalsContact NH2-CD 3.34Å; R188-E202 IonicContact NH2-OE1 2.87Å; R188-E202 PolarHBondContact NH2-OE1 2.87Å; R188-E202 IonicContact NH2-OE2 2.7Å; R188-E202 PolarHBondContact NH2-OE2 3.09Å; R188-E202 VanDerWaalsContact NH2-OE2 3.11Å |
| 189 | R | 98.3 | Very high | 98.3 | Very high | 186 Ų | 186 | 77.8 Ų | 77.8 | 70% | 0.702 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.8 | -50.9 | -179.8 | -179.5 | 179 | 175.3 | 134.3 | -0.8 | 111.6 | R191 I192 E193 | R189-R191 PolarHBondContact O-N 3.11Å; R189-I192 WeakPolarHBondContact O-CB 3.44Å; R189-I192 PolarHBondContact O-N 3.03Å; R189-E193 WeakPolarHBondContact CG-OE1 3.45Å; R189-E193 IonicContact NE-OE1 2.85Å; R189-E193 PolarHBondContact NE-OE1 3.33Å; R189-E193 VanDerWaalsContact NE-OE1 3.09Å; R189-E193 PolarHBondContact O-N 3.47Å |
| 190 | R | 98.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 77.9 Ų | 77.9 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | -178.6 | -172.5 | 56.3 | 175.5 | 179.4 | -1.5 | 112.5 | E179 L186 T187 I192 E193 I194 | E179-R190 IonicContact OE1-CZ 3.81Å; E179-R190 IonicContact OE1-NE 2.67Å; E179-R190 IonicContact OE1-NH2 4Å; E179-R190 PolarHBondContact OE1-NH2 3.38Å; E179-R190 IonicContact OE2-CZ 2.83Å; E179-R190 IonicContact OE2-NE 3.38Å; E179-R190 PolarHBondContact OE2-NE 3.48Å; E179-R190 IonicContact OE2-NH2 3.68Å; E179-R190 PolarHBondContact OE2-NH2 3.35Å; E179-R190 VanDerWaalsContact OE2-NH2 3.07Å; L186-R190 HydrophobicContact CD2-CG 3.9Å; T187-R190 WeakPolarHBondContact OG1-CB 3.33Å; T187-R190 PolarHBondContact OG1-N 2.83Å; R190-I192 VanDerWaalsContact C-N 3.3Å; R190-I192 PolarHBondContact O-N 2.92Å; R190-E193 VanDerWaalsContact CD-OE2 3.28Å; R190-E193 WeakPolarHBondContact CD-OE2 3.3Å; R190-E193 IonicContact CZ-OE2 3Å; R190-E193 IonicContact NE-OE2 2.94Å; R190-E193 IonicContact NH1-OE2 3.87Å; R190-E193 PolarHBondContact NH1-OE2 3.22Å; R190-E193 PolarHBondContact O-N 3.27Å; R190-I194 HydrophobicContact CG-CD1 3.88Å; R190-I194 HydrophobicContact CG-CG1 4.45Å; R190-I194 WeakPolarHBondContact O-CG1 3.45Å; R190-I194 PolarHBondContact O-N 3.45Å; R190-I194 VanDerWaalsContact O-N 3.09Å |
| 191 | R | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 81.7 Ų | 81.7 | 18% | 0.177 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 174.2 | -166.4 | -162.4 | -38.7 | -88.2 | -11 | 112.4 | T187 R188 R189 S195 E202 I205 | T187-R191 WeakPolarHBondContact O-CB 3.44Å; T187-R191 PolarHBondContact O-N 2.86Å; R188-R191 WeakPolarHBondContact O-CB 3.47Å; R188-R191 PolarHBondContact O-N 3Å; R189-R191 PolarHBondContact O-N 3.11Å; R191-S195 VanDerWaalsContact O-CB 3.24Å; R191-S195 WeakPolarHBondContact O-CB 3.47Å; R191-S195 PolarHBondContact O-N 3.44Å; R191-S195 PolarHBondContact O-OG 2.79Å; R191-E202 HydrophobicContact CG-CB 4.36Å; R191-I205 HydrophobicContact CG-CB 4.18Å; R191-I205 HydrophobicContact CG-CG2 4Å |
| 192 | I | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 79.2 Ų | 79.2 | 29% | 0.292 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.5 | -51 | 177.4 | -59.5 | 170 | 0 | 0 | 0 | 109.5 | R188 R189 R190 I194 S195 H196 | R188-I192 WeakPolarHBondContact O-CG1 3.45Å; R188-I192 PolarHBondContact O-N 3.06Å; R189-I192 WeakPolarHBondContact O-CB 3.44Å; R189-I192 PolarHBondContact O-N 3.03Å; R190-I192 VanDerWaalsContact C-N 3.3Å; R190-I192 PolarHBondContact O-N 2.92Å; I192-I194 PolarHBondContact O-N 3.38Å; I192-S195 WeakPolarHBondContact CA-OG 3.41Å; I192-S195 WeakPolarHBondContact O-CB 3.48Å; I192-S195 PolarHBondContact O-N 2.73Å; I192-S195 VanDerWaalsContact O-N 3.09Å; I192-S195 PolarHBondContact O-OG 2.79Å; I192-H196 VanDerWaalsContact CG2-CD2 3.47Å; I192-H196 WeakPolarHBondContact CG2-CD2 3.47Å; I192-H196 VanDerWaalsContact CG2-NE2 3.3Å; I192-H196 WeakPolarHBondContact CG2-NE2 3.5Å; I192-H196 PolarHBondContact O-CD2 2.91Å; I192-H196 PolarHBondContact O-N 2.96Å; I192-H196 VanDerWaalsContact O-N 3.11Å |
| 193 | E | 98.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 80 Ų | 80 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -55.7 | -49.1 | -177.7 | -65.1 | 169.2 | -174 | 0 | 0 | 111.5 | R189 R190 S195 H196 A197 | R189-E193 WeakPolarHBondContact CG-OE1 3.45Å; R189-E193 IonicContact NE-OE1 2.85Å; R189-E193 PolarHBondContact NE-OE1 3.33Å; R189-E193 VanDerWaalsContact NE-OE1 3.09Å; R189-E193 PolarHBondContact O-N 3.47Å; R190-E193 VanDerWaalsContact CD-OE2 3.28Å; R190-E193 WeakPolarHBondContact CD-OE2 3.3Å; R190-E193 IonicContact CZ-OE2 3Å; R190-E193 IonicContact NE-OE2 2.94Å; R190-E193 IonicContact NH1-OE2 3.87Å; R190-E193 PolarHBondContact NH1-OE2 3.22Å; R190-E193 PolarHBondContact O-N 3.27Å; E193-S195 VanDerWaalsContact C-N 3.35Å; E193-S195 PolarHBondContact O-N 3.18Å; E193-H196 PolarHBondContact O-N 3.13Å; E193-A197 PolarHBondContact O-N 3.08Å; E193-A197 VanDerWaalsContact O-N 3.13Å |
| 194 | I | 98.4 | Very high | 98.4 | Very high | 9 Ų | 9 | 79.2 Ų | 79.2 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 178.4 | -61.2 | 165.3 | 0 | 0 | 0 | 111.3 | L176 E179 L186 R190 I192 H196 A197 L198 I205 | L176-I194 HydrophobicContact CD2-CG2 4.24Å; E179-I194 HydrophobicContact CB-CD1 4.06Å; E179-I194 HydrophobicContact CG-CD1 3.67Å; E179-I194 HydrophobicContact CG-CG1 4.11Å; L186-I194 HydrophobicContact CD1-CD1 3.91Å; L186-I194 HydrophobicContact CD2-CD1 3.88Å; R190-I194 HydrophobicContact CG-CD1 3.88Å; R190-I194 HydrophobicContact CG-CG1 4.45Å; R190-I194 WeakPolarHBondContact O-CG1 3.45Å; R190-I194 PolarHBondContact O-N 3.45Å; R190-I194 VanDerWaalsContact O-N 3.09Å; I192-I194 PolarHBondContact O-N 3.38Å; I194-H196 VanDerWaalsContact C-N 3.31Å; I194-H196 PolarHBondContact O-N 3.42Å; I194-A197 PolarHBondContact O-N 2.9Å; I194-L198 HydrophobicContact CG2-CD1 3.66Å; I194-L198 HydrophobicContact CG2-CG 4.13Å; I194-L198 WeakPolarHBondContact O-CB 3.49Å; I194-L198 PolarHBondContact O-N 3.46Å; I194-I205 HydrophobicContact CG2-CD1 3.91Å |
| 195 | S | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 75.6 Ų | 75.6 | 6% | 0.063 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.7 | -42.8 | -179.3 | 76.5 | 0 | 0 | 0 | 0 | 111.9 | R191 I192 E193 C199 L200 | R191-S195 VanDerWaalsContact O-CB 3.24Å; R191-S195 WeakPolarHBondContact O-CB 3.47Å; R191-S195 PolarHBondContact O-N 3.44Å; R191-S195 PolarHBondContact O-OG 2.79Å; I192-S195 WeakPolarHBondContact CA-OG 3.41Å; I192-S195 WeakPolarHBondContact O-CB 3.48Å; I192-S195 PolarHBondContact O-N 2.73Å; I192-S195 VanDerWaalsContact O-N 3.09Å; I192-S195 PolarHBondContact O-OG 2.79Å; E193-S195 VanDerWaalsContact C-N 3.35Å; E193-S195 PolarHBondContact O-N 3.18Å; S195-C199 WeakPolarHBondContact O-CA 3.18Å; S195-C199 PolarHBondContact O-N 3.39Å; S195-C199 VanDerWaalsContact O-N 3.11Å; S195-L200 CarbonylContact C-O 3.34Å; S195-L200 WeakPolarHBondContact CA-O 3.36Å; S195-L200 WeakPolarHBondContact CB-O 3.24Å; S195-L200 PolarHBondContact O-N 3.11Å; S195-L200 VanDerWaalsContact O-N 3.09Å; S195-L200 VanDerWaalsContact O-O 3.12Å |
| 196 | H | 98.5 | Very high | 98.4 | Very high | 137 Ų | 137 | 74.7 Ų | 74.7 | 63% | 0.634 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -70 | -43.6 | 176.6 | -66.4 | -55.9 | 0 | 0 | 0 | 112 | I192 E193 I194 L198 C199 | I192-H196 VanDerWaalsContact CG2-CD2 3.47Å; I192-H196 WeakPolarHBondContact CG2-CD2 3.47Å; I192-H196 VanDerWaalsContact CG2-NE2 3.3Å; I192-H196 WeakPolarHBondContact CG2-NE2 3.5Å; I192-H196 PolarHBondContact O-CD2 2.91Å; I192-H196 PolarHBondContact O-N 2.96Å; I192-H196 VanDerWaalsContact O-N 3.11Å; E193-H196 PolarHBondContact O-N 3.13Å; I194-H196 VanDerWaalsContact C-N 3.31Å; I194-H196 PolarHBondContact O-N 3.42Å; H196-L198 VanDerWaalsContact C-N 3.28Å; H196-L198 PolarHBondContact O-N 3.21Å; H196-C199 PolarHBondContact O-N 3.07Å |
| 197 | A | 98.2 | Very high | 98.4 | Very high | 64 Ų | 64 | 76 Ų | 76 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.4 | -31.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E193 I194 | E193-A197 PolarHBondContact O-N 3.08Å; E193-A197 VanDerWaalsContact O-N 3.13Å; I194-A197 PolarHBondContact O-N 2.9Å |
| 198 | L | 98.2 | Very high | 98.4 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -104.1 | -0.8 | -176.1 | -60 | -173.2 | 0 | 0 | 0 | 114.1 | Y171 Q172 E175 L176 I194 H196 L200 | Y171-L198 HydrophobicContact CD1-CD2 4.19Å; Y171-L198 HydrophobicContact CE1-CD2 3.63Å; Q172-L198 HydrophobicContact CG-CB 4.29Å; Q172-L198 PolarHBondContact NE2-O 3.29Å; E175-L198 HydrophobicContact CB-CD1 4.09Å; E175-L198 HydrophobicContact CB-CD2 3.73Å; E175-L198 HydrophobicContact CB-CG 4.48Å; E175-L198 HydrophobicContact CG-CD2 4.01Å; L176-L198 HydrophobicContact CD1-CD1 4.46Å; L176-L198 HydrophobicContact CD2-CD1 3.95Å; L176-L198 HydrophobicContact CG-CD1 3.75Å; I194-L198 HydrophobicContact CG2-CD1 3.66Å; I194-L198 HydrophobicContact CG2-CG 4.13Å; I194-L198 WeakPolarHBondContact O-CB 3.49Å; I194-L198 PolarHBondContact O-N 3.46Å; H196-L198 VanDerWaalsContact C-N 3.28Å; H196-L198 PolarHBondContact O-N 3.21Å; L198-L200 HydrophobicContact CB-CD1 4.28Å; L198-L200 HydrophobicContact CB-CG 4.22Å; L198-L200 PolarHBondContact O-N 3.43Å |
| 199 | C | 98.4 | Very high | 98.4 | Very high | 116 Ų | 116 | 67.4 Ų | 67.4 | 78% | 0.784 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.8 | -172.7 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | S195 H196 | S195-C199 WeakPolarHBondContact O-CA 3.18Å; S195-C199 PolarHBondContact O-N 3.39Å; S195-C199 VanDerWaalsContact O-N 3.11Å; H196-C199 PolarHBondContact O-N 3.07Å |
| 200 | L | 98 | Very high | 98.5 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | trans | -116.4 | 148.8 | 176 | -66.4 | 179.5 | 0 | 0 | 0 | 109.3 | Y168 L176 S195 L198 Q204 I205 | Y168-L200 HydrophobicContact CD1-CD1 4Å; Y168-L200 HydrophobicContact CD1-CD2 3.8Å; Y168-L200 HydrophobicContact CE1-CD1 3.93Å; Y168-L200 HydrophobicContact CE1-CD2 3.63Å; Y168-L200 HydrophobicContact CE1-CG 4.45Å; L176-L200 HydrophobicContact CD1-CD1 4.25Å; S195-L200 CarbonylContact C-O 3.34Å; S195-L200 WeakPolarHBondContact CA-O 3.36Å; S195-L200 WeakPolarHBondContact CB-O 3.24Å; S195-L200 PolarHBondContact O-N 3.11Å; S195-L200 VanDerWaalsContact O-N 3.09Å; S195-L200 VanDerWaalsContact O-O 3.12Å; L198-L200 HydrophobicContact CB-CD1 4.28Å; L198-L200 HydrophobicContact CB-CG 4.22Å; L198-L200 PolarHBondContact O-N 3.43Å; L200-Q204 HydrophobicContact CB-CB 4.36Å; L200-I205 HydrophobicContact CB-CD1 3.86Å; L200-I205 HydrophobicContact CB-CG1 4.39Å; L200-I205 HydrophobicContact CD1-CD1 3.94Å | ||
| 201 | T | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 64 Ų | 64 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | trans | -67.7 | 149.6 | 174.1 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | R203 Q204 I205 | T201-R203 PolarHBondContact O-N 3.31Å; T201-R203 VanDerWaalsContact O-N 3.08Å; T201-Q204 WeakPolarHBondContact O-CA 3.15Å; T201-Q204 WeakPolarHBondContact O-CB 3.48Å; T201-Q204 PolarHBondContact O-N 2.85Å; T201-Q204 VanDerWaalsContact OG1-CG 3.28Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.46Å; T201-Q204 PolarHBondContact OG1-N 3.33Å; T201-Q204 PolarHBondContact OG1-OE1 2.89Å; T201-I205 PolarHBondContact O-N 3.47Å; T201-I205 VanDerWaalsContact O-N 3.07Å | ||
| 202 | E | 98.5 | Very high | 98.4 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -51.9 | -35.2 | 173.4 | -69.6 | -166.1 | -146.3 | 0 | 0 | 113.4 | R188 R191 I205 K206 | R188-E202 VanDerWaalsContact CZ-CD 3.49Å; R188-E202 IonicContact CZ-OE1 3.83Å; R188-E202 VanDerWaalsContact CZ-OE1 3.24Å; R188-E202 IonicContact CZ-OE2 2.71Å; R188-E202 IonicContact NE-OE2 3.89Å; R188-E202 IonicContact NH1-OE1 2.87Å; R188-E202 PolarHBondContact NH1-OE1 3.18Å; R188-E202 IonicContact NH1-OE2 3.19Å; R188-E202 PolarHBondContact NH1-OE2 2.7Å; R188-E202 VanDerWaalsContact NH2-CD 3.34Å; R188-E202 IonicContact NH2-OE1 2.87Å; R188-E202 PolarHBondContact NH2-OE1 2.87Å; R188-E202 IonicContact NH2-OE2 2.7Å; R188-E202 PolarHBondContact NH2-OE2 3.09Å; R188-E202 VanDerWaalsContact NH2-OE2 3.11Å; R191-E202 HydrophobicContact CG-CB 4.36Å; E202-I205 PolarHBondContact O-N 2.99Å; E202-K206 WeakPolarHBondContact O-CB 3.32Å; E202-K206 PolarHBondContact O-N 3.03Å |
| 203 | R | 98.1 | Very high | 98.4 | Very high | 187 Ų | 187 | 64.5 Ų | 64.5 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 175.9 | -176.2 | 178 | -175.3 | -107.7 | 2.6 | 111.2 | T201 K206 I207 | T201-R203 PolarHBondContact O-N 3.31Å; T201-R203 VanDerWaalsContact O-N 3.08Å; R203-K206 WeakPolarHBondContact O-CB 3.33Å; R203-K206 PolarHBondContact O-N 3.35Å; R203-I207 HydrophobicContact CG-CD1 3.86Å; R203-I207 HydrophobicContact CG-CG1 4.48Å; R203-I207 WeakPolarHBondContact O-CB 3.35Å; R203-I207 VanDerWaalsContact O-CG1 3.28Å; R203-I207 WeakPolarHBondContact O-CG1 3.42Å; R203-I207 PolarHBondContact O-N 3.46Å |
| 204 | Q | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 66.3 Ų | 66.3 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.7 | -77.1 | 163.9 | -55.6 | 0 | 0 | 111.3 | L200 T201 K206 I207 W208 | L200-Q204 HydrophobicContact CB-CB 4.36Å; T201-Q204 WeakPolarHBondContact O-CA 3.15Å; T201-Q204 WeakPolarHBondContact O-CB 3.48Å; T201-Q204 PolarHBondContact O-N 2.85Å; T201-Q204 VanDerWaalsContact OG1-CG 3.28Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.46Å; T201-Q204 PolarHBondContact OG1-N 3.33Å; T201-Q204 PolarHBondContact OG1-OE1 2.89Å; Q204-K206 VanDerWaalsContact C-N 3.35Å; Q204-K206 PolarHBondContact O-N 3.47Å; Q204-I207 PolarHBondContact O-N 2.9Å; Q204-W208 WeakPolarHBondContact O-CB 3.3Å; Q204-W208 PolarHBondContact O-N 3.44Å |
| 205 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 174.6 | -55.3 | -60.2 | 0 | 0 | 0 | 110.6 | L176 L186 R191 I194 L200 T201 E202 I207 W208 F209 | L176-I205 HydrophobicContact CD2-CD1 3.77Å; L186-I205 HydrophobicContact CD1-CG2 3.56Å; R191-I205 HydrophobicContact CG-CB 4.18Å; R191-I205 HydrophobicContact CG-CG2 4Å; I194-I205 HydrophobicContact CG2-CD1 3.91Å; L200-I205 HydrophobicContact CB-CD1 3.86Å; L200-I205 HydrophobicContact CB-CG1 4.39Å; L200-I205 HydrophobicContact CD1-CD1 3.94Å; T201-I205 PolarHBondContact O-N 3.47Å; T201-I205 VanDerWaalsContact O-N 3.07Å; E202-I205 PolarHBondContact O-N 2.99Å; I205-I207 PolarHBondContact O-N 3.3Å; I205-W208 PolarHBondContact O-N 3.22Å; I205-F209 HydrophobicContact CG2-CD2 4.11Å; I205-F209 HydrophobicContact CG2-CE2 4.32Å; I205-F209 WeakPolarHBondContact O-CD2 3.31Å; I205-F209 PolarHBondContact O-N 3.23Å |
| 206 | K | 98.4 | Very high | 98.2 | Very high | 127 Ų | 127 | 76.1 Ų | 76.1 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.4 | -48.8 | 177.5 | -177.2 | 179.6 | 176.3 | -179.1 | 0 | 112 | E202 R203 Q204 W208 F209 Q210 | E202-K206 WeakPolarHBondContact O-CB 3.32Å; E202-K206 PolarHBondContact O-N 3.03Å; R203-K206 WeakPolarHBondContact O-CB 3.33Å; R203-K206 PolarHBondContact O-N 3.35Å; Q204-K206 VanDerWaalsContact C-N 3.35Å; Q204-K206 PolarHBondContact O-N 3.47Å; K206-W208 VanDerWaalsContact C-N 3.35Å; K206-F209 PolarHBondContact O-N 3.22Å; K206-Q210 WeakPolarHBondContact O-CB 3.47Å; K206-Q210 PolarHBondContact O-N 3.39Å |
| 207 | I | 98.5 | Very high | 98 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 179.7 | -69.8 | 168.7 | 0 | 0 | 0 | 110.2 | R203 Q204 I205 Q210 N211 | R203-I207 HydrophobicContact CG-CD1 3.86Å; R203-I207 HydrophobicContact CG-CG1 4.48Å; R203-I207 WeakPolarHBondContact O-CB 3.35Å; R203-I207 VanDerWaalsContact O-CG1 3.28Å; R203-I207 WeakPolarHBondContact O-CG1 3.42Å; R203-I207 PolarHBondContact O-N 3.46Å; Q204-I207 PolarHBondContact O-N 2.9Å; I205-I207 PolarHBondContact O-N 3.3Å; I207-Q210 PolarHBondContact O-N 2.91Å; I207-N211 VanDerWaalsContact O-CG 3.27Å; I207-N211 PolarHBondContact O-N 3.09Å; I207-N211 PolarHBondContact O-ND2 2.79Å |
| 208 | W | 98.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 78.7 Ų | 78.7 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 178.7 | -169.5 | 100.3 | 0 | 0 | 0 | 111.4 | Y168 L176 E177 F180 Q204 I205 K206 Q210 N211 R212 | Y168-W208 AromaticContact CD2-CD1 3.86Å; Y168-W208 AromaticContact CE2-CD1 3.61Å; L176-W208 VanDerWaalsContact C-CH2 3.46Å; L176-W208 HydrophobicContact CB-CD2 3.9Å; L176-W208 HydrophobicContact CB-CE3 3.91Å; L176-W208 HydrophobicContact CB-CH2 3.6Å; L176-W208 HydrophobicContact CB-CZ2 3.57Å; L176-W208 HydrophobicContact CB-CZ3 3.76Å; L176-W208 HydrophobicContact CD1-CD2 3.85Å; L176-W208 HydrophobicContact CD1-CG 3.82Å; L176-W208 HydrophobicContact CD1-CZ2 4.49Å; L176-W208 HydrophobicContact CD2-CD2 4.33Å; L176-W208 HydrophobicContact CD2-CE3 4.25Å; L176-W208 HydrophobicContact CG-CD2 4.25Å; L176-W208 HydrophobicContact CG-CE3 4.46Å; L176-W208 WeakPolarHBondContact O-CH2 2.76Å; L176-W208 WeakPolarHBondContact O-CZ3 3.3Å; E177-W208 HydrophobicContact CG-CH2 3.94Å; E177-W208 HydrophobicContact CG-CZ2 3.99Å; F180-W208 HydrophobicContact CB-CH2 4.34Å; F180-W208 HydrophobicContact CB-CZ3 4.05Å; Q204-W208 WeakPolarHBondContact O-CB 3.3Å; Q204-W208 PolarHBondContact O-N 3.44Å; I205-W208 PolarHBondContact O-N 3.22Å; K206-W208 VanDerWaalsContact C-N 3.35Å; W208-Q210 VanDerWaalsContact C-N 3.29Å; W208-Q210 PolarHBondContact O-N 2.94Å; W208-N211 PolarHBondContact O-N 3.5Å; W208-R212 HydrophobicContact CD2-CB 4.49Å; W208-R212 HydrophobicContact CE3-CB 3.92Å; W208-R212 HydrophobicContact CE3-CG 4.49Å; W208-R212 HydrophobicContact CH2-CB 4.01Å; W208-R212 HydrophobicContact CH2-CG 3.76Å; W208-R212 HydrophobicContact CZ3-CB 3.65Å; W208-R212 HydrophobicContact CZ3-CG 3.72Å; W208-R212 WeakPolarHBondContact O-CB 3.28Å; W208-R212 PolarHBondContact O-N 3.45Å |
| 209 | F | 98.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 81.4 Ų | 81.4 | 4% | 0.044 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -32.7 | 177 | -92.2 | -103.3 | 0 | 0 | 0 | 112.9 | L176 E179 F180 L186 I205 K206 R213 | L176-F209 HydrophobicContact CD2-CE2 4.07Å; E179-F209 HydrophobicContact CB-CZ 4.06Å; F180-F209 HydrophobicContact CB-CE1 4.19Å; F180-F209 HydrophobicContact CB-CZ 4.29Å; F180-F209 AromaticContact CD2-CD1 3.95Å; F180-F209 HydrophobicContact CD2-CD1 3.95Å; F180-F209 AromaticContact CD2-CE1 3.87Å; F180-F209 HydrophobicContact CD2-CE1 3.87Å; L186-F209 HydrophobicContact CD1-CD1 4.15Å; L186-F209 HydrophobicContact CD1-CD2 3.6Å; L186-F209 HydrophobicContact CD1-CE1 3.96Å; L186-F209 HydrophobicContact CD1-CE2 3.41Å; L186-F209 VanDerWaalsContact CD1-CE2 3.41Å; L186-F209 HydrophobicContact CD1-CG 3.98Å; L186-F209 HydrophobicContact CD1-CZ 3.6Å; L186-F209 HydrophobicContact CD2-CE1 3.77Å; L186-F209 HydrophobicContact CD2-CE2 4.38Å; L186-F209 HydrophobicContact CD2-CZ 3.7Å; L186-F209 HydrophobicContact CG-CD1 3.8Å; L186-F209 HydrophobicContact CG-CD2 4.18Å; L186-F209 HydrophobicContact CG-CE1 3.52Å; L186-F209 HydrophobicContact CG-CE2 3.97Å; L186-F209 HydrophobicContact CG-CG 4.12Å; L186-F209 HydrophobicContact CG-CZ 3.62Å; I205-F209 HydrophobicContact CG2-CD2 4.11Å; I205-F209 HydrophobicContact CG2-CE2 4.32Å; I205-F209 WeakPolarHBondContact O-CD2 3.31Å; I205-F209 PolarHBondContact O-N 3.23Å; K206-F209 PolarHBondContact O-N 3.22Å; F209-R213 WeakPolarHBondContact O-CB 3.48Å; F209-R213 WeakPolarHBondContact O-CG 3.48Å; F209-R213 PolarHBondContact O-N 3.1Å; F209-R213 VanDerWaalsContact O-N 3.09Å; F209-R213 PolarHBondContact O-NE 3.21Å |
| 210 | Q | 98.7 | Very high | 97.1 | Very high | 102 Ų | 102 | 78.4 Ų | 78.4 | 48% | 0.477 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 173.2 | -170 | 169.3 | 14.2 | 0 | 0 | 111.1 | K206 I207 W208 R212 R213 M214 | K206-Q210 WeakPolarHBondContact O-CB 3.47Å; K206-Q210 PolarHBondContact O-N 3.39Å; I207-Q210 PolarHBondContact O-N 2.91Å; W208-Q210 VanDerWaalsContact C-N 3.29Å; W208-Q210 PolarHBondContact O-N 2.94Å; Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.26Å; Q210-R213 PolarHBondContact O-N 3.49Å; Q210-M214 WeakPolarHBondContact O-CG 2.75Å; Q210-M214 PolarHBondContact O-N 2.94Å; Q210-M214 VanDerWaalsContact O-N 3.1Å |
| 211 | N | 98.3 | Very high | 95.9 | Very high | 100 Ų | 100 | 84.9 Ų | 84.9 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 176.6 | -67.8 | -17.2 | 0 | 0 | 0 | 111.7 | I207 W208 R213 M214 K215 | I207-N211 VanDerWaalsContact O-CG 3.27Å; I207-N211 PolarHBondContact O-N 3.09Å; I207-N211 PolarHBondContact O-ND2 2.79Å; W208-N211 PolarHBondContact O-N 3.5Å; N211-R213 PolarHBondContact O-N 2.88Å; N211-M214 PolarHBondContact O-N 3.12Å; N211-K215 PolarHBondContact O-N 3.18Å |
| 212 | R | 98.5 | Very high | 94.4 | Very high | 34 Ų | 34 | 87.1 Ų | 87.1 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | -179.9 | -177.3 | 62 | -170 | 113.2 | -12.1 | 112.1 | F180 W208 Q210 K215 W216 E219 | F180-R212 HydrophobicContact CB-CG 4.35Å; F180-R212 HydrophobicContact CD1-CG 3.61Å; F180-R212 HydrophobicContact CD2-CB 4.3Å; F180-R212 HydrophobicContact CD2-CG 3.65Å; F180-R212 HydrophobicContact CE1-CG 3.67Å; F180-R212 HydrophobicContact CE2-CB 4.31Å; F180-R212 HydrophobicContact CE2-CG 3.74Å; F180-R212 HydrophobicContact CG-CG 3.58Å; F180-R212 HydrophobicContact CZ-CG 3.75Å; W208-R212 HydrophobicContact CD2-CB 4.49Å; W208-R212 HydrophobicContact CE3-CB 3.92Å; W208-R212 HydrophobicContact CE3-CG 4.49Å; W208-R212 HydrophobicContact CH2-CB 4.01Å; W208-R212 HydrophobicContact CH2-CG 3.76Å; W208-R212 HydrophobicContact CZ3-CB 3.65Å; W208-R212 HydrophobicContact CZ3-CG 3.72Å; W208-R212 WeakPolarHBondContact O-CB 3.28Å; W208-R212 PolarHBondContact O-N 3.45Å; Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.26Å; R212-K215 PolarHBondContact O-N 3.4Å; R212-W216 WeakPolarHBondContact O-CB 3.5Å; R212-W216 PolarHBondContact O-N 3.21Å; R212-E219 IonicContact CZ-OE2 2.79Å; R212-E219 IonicContact NH1-OE2 3.72Å; R212-E219 PolarHBondContact NH1-OE2 2.98Å; R212-E219 IonicContact NH2-OE2 3.93Å |
| 213 | R | 98.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 90.6 Ų | 90.6 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 173.5 | -75.2 | -177.5 | -66.5 | 160.5 | 2.4 | 112.3 | F180 R184 F209 Q210 N211 K215 W216 K217 | F180-R213 HydrophobicContact CE2-CG 3.73Å; F180-R213 HydrophobicContact CZ-CG 4.23Å; R184-R213 WeakPolarHBondContact O-CD 3.41Å; F209-R213 WeakPolarHBondContact O-CB 3.48Å; F209-R213 WeakPolarHBondContact O-CG 3.48Å; F209-R213 PolarHBondContact O-N 3.1Å; F209-R213 VanDerWaalsContact O-N 3.09Å; F209-R213 PolarHBondContact O-NE 3.21Å; Q210-R213 PolarHBondContact O-N 3.49Å; N211-R213 PolarHBondContact O-N 2.88Å; R213-K215 VanDerWaalsContact C-N 3.35Å; R213-W216 PolarHBondContact O-N 3.02Å; R213-K217 WeakPolarHBondContact O-CB 3.38Å; R213-K217 PolarHBondContact O-N 3.37Å |
| 214 | M | 98.1 | Very high | 90.8 | Very high | 110 Ų | 110 | 84.8 Ų | 84.8 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.9 | -67.2 | -60.5 | -79.3 | 0 | 0 | 111.7 | Q210 N211 K217 K218 | Q210-M214 WeakPolarHBondContact O-CG 2.75Å; Q210-M214 PolarHBondContact O-N 2.94Å; Q210-M214 VanDerWaalsContact O-N 3.1Å; N211-M214 PolarHBondContact O-N 3.12Å; M214-K217 PolarHBondContact O-N 3.02Å; M214-K218 PolarHBondContact O-N 3.36Å |
| 215 | K | 96.7 | Very high | 88.8 | Confident | 119 Ų | 119 | 86.3 Ų | 86.3 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 174.5 | 179.4 | 171.1 | 170.4 | -179.6 | 0 | 111.6 | N211 R212 R213 K217 K218 E219 | N211-K215 PolarHBondContact O-N 3.18Å; R212-K215 PolarHBondContact O-N 3.4Å; R213-K215 VanDerWaalsContact C-N 3.35Å; K215-K217 VanDerWaalsContact C-N 3.34Å; K215-K217 PolarHBondContact O-N 2.89Å; K215-K218 WeakPolarHBondContact O-CB 3.49Å; K215-K218 PolarHBondContact O-N 2.72Å; K215-E219 WeakPolarHBondContact CE-OE1 3.49Å; K215-E219 HydrophobicContact CG-CG 4.32Å; K215-E219 VanDerWaalsContact CG-OE1 3.3Å; K215-E219 WeakPolarHBondContact CG-OE1 3.28Å; K215-E219 IonicContact NZ-OE1 3.09Å; K215-E219 WeakPolarHBondContact O-CG 3.35Å; K215-E219 PolarHBondContact O-N 3.05Å |
| 216 | W | 96.1 | Very high | 86.6 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 40% | 0.398 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 176.6 | 178.4 | 81.6 | 0 | 0 | 0 | 111.4 | F180 R212 R213 K218 E219 N220 | F180-W216 HydrophobicContact CE1-CB 4.26Å; F180-W216 HydrophobicContact CE1-CG 4.31Å; F180-W216 HydrophobicContact CZ-CB 4.07Å; F180-W216 HydrophobicContact CZ-CG 4.25Å; R212-W216 WeakPolarHBondContact O-CB 3.5Å; R212-W216 PolarHBondContact O-N 3.21Å; R213-W216 PolarHBondContact O-N 3.02Å; W216-K218 VanDerWaalsContact C-N 3.26Å; W216-K218 PolarHBondContact O-N 2.84Å; W216-E219 PolarHBondContact O-N 3.21Å; W216-N220 PolarHBondContact NE1-ND2 3.39Å; W216-N220 PolarHBondContact O-N 2.84Å; W216-N220 PolarHBondContact O-ND2 3.45Å |
| 217 | K | 95.2 | Very high | 84.4 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 46% | 0.457 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.5 | -40.3 | 176.2 | -175.8 | -178.5 | 68.8 | 175.2 | 0 | 112.3 | R213 M214 K215 K221 | R213-K217 WeakPolarHBondContact O-CB 3.38Å; R213-K217 PolarHBondContact O-N 3.37Å; M214-K217 PolarHBondContact O-N 3.02Å; K215-K217 VanDerWaalsContact C-N 3.34Å; K215-K217 PolarHBondContact O-N 2.89Å; K217-K221 HydrophobicContact CG-CD 4.41Å; K217-K221 WeakPolarHBondContact O-CD 3.45Å; K217-K221 WeakPolarHBondContact O-CG 3.49Å; K217-K221 PolarHBondContact O-N 3.35Å |
| 218 | K | 94.9 | Very high | 82.1 | Confident | 149 Ų | 149 | 90.3 Ų | 90.3 | 65% | 0.648 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.3 | -44 | 177.9 | -171.7 | 177.3 | 179.4 | -179.6 | 0 | 111.4 | M214 K215 W216 L222 | M214-K218 PolarHBondContact O-N 3.36Å; K215-K218 WeakPolarHBondContact O-CB 3.49Å; K215-K218 PolarHBondContact O-N 2.72Å; W216-K218 VanDerWaalsContact C-N 3.26Å; W216-K218 PolarHBondContact O-N 2.84Å; K218-L222 HydrophobicContact CG-CD1 4.32Å; K218-L222 WeakPolarHBondContact O-CG 3.37Å |
| 219 | E | 91.9 | Very high | 80 | Confident | 65 Ų | 65 | 91.4 Ų | 91.4 | 30% | 0.304 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | -179.4 | -68.8 | 166.9 | 161 | 0 | 0 | 112.2 | R212 K215 W216 K221 L222 L223 | R212-E219 IonicContact CZ-OE2 2.79Å; R212-E219 IonicContact NH1-OE2 3.72Å; R212-E219 PolarHBondContact NH1-OE2 2.98Å; R212-E219 IonicContact NH2-OE2 3.93Å; K215-E219 WeakPolarHBondContact CE-OE1 3.49Å; K215-E219 HydrophobicContact CG-CG 4.32Å; K215-E219 VanDerWaalsContact CG-OE1 3.3Å; K215-E219 WeakPolarHBondContact CG-OE1 3.28Å; K215-E219 IonicContact NZ-OE1 3.09Å; K215-E219 WeakPolarHBondContact O-CG 3.35Å; K215-E219 PolarHBondContact O-N 3.05Å; W216-E219 PolarHBondContact O-N 3.21Å; E219-K221 PolarHBondContact O-N 2.76Å; E219-L222 PolarHBondContact O-N 3.33Å; E219-L223 WeakPolarHBondContact O-CD1 3.35Å; E219-L223 WeakPolarHBondContact O-CG 3.48Å; E219-L223 PolarHBondContact O-N 3.48Å; E219-L223 VanDerWaalsContact O-N 3.13Å |
| 220 | N | 87.3 | Confident | 78 | Confident | 52 Ų | 52 | 96.3 Ų | 96.3 | 28% | 0.278 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.2 | -30.6 | -177.3 | -72.9 | -99 | 0 | 0 | 0 | 113 | W216 L222 N224 | W216-N220 PolarHBondContact NE1-ND2 3.39Å; W216-N220 PolarHBondContact O-N 2.84Å; W216-N220 PolarHBondContact O-ND2 3.45Å; N220-L222 PolarHBondContact O-N 3.29Å; N220-N224 PolarHBondContact O-N 3.23Å |
| 221 | K | 74.4 | Confident | 76 | Confident | 152 Ų | 152 | 97.8 Ų | 97.8 | 66% | 0.661 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.3 | -24.6 | 174.4 | -76.5 | 171.8 | 174.7 | -87.7 | 0 | 113 | K217 E219 | K217-K221 HydrophobicContact CG-CD 4.41Å; K217-K221 WeakPolarHBondContact O-CD 3.45Å; K217-K221 WeakPolarHBondContact O-CG 3.49Å; K217-K221 PolarHBondContact O-N 3.35Å; E219-K221 PolarHBondContact O-N 2.76Å |
| 222 | L | 66.9 | Low | 74.2 | Confident | 128 Ų | 128 | 98.9 Ų | 98.9 | 67% | 0.67 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -92.9 | -24.9 | -179.1 | -62.4 | 172.7 | 0 | 0 | 0 | 112.3 | K218 E219 N220 | K218-L222 HydrophobicContact CG-CD1 4.32Å; K218-L222 WeakPolarHBondContact O-CG 3.37Å; E219-L222 PolarHBondContact O-N 3.33Å; N220-L222 PolarHBondContact O-N 3.29Å |
| 223 | L | 63.9 | Low | 72.3 | Confident | 132 Ų | 132 | 104.2 Ų | 104.2 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -90.7 | -20.8 | -179.7 | -73.5 | 159.1 | 0 | 0 | 0 | 113.6 | E219 P225 | E219-L223 WeakPolarHBondContact O-CD1 3.35Å; E219-L223 WeakPolarHBondContact O-CG 3.48Å; E219-L223 PolarHBondContact O-N 3.48Å; E219-L223 VanDerWaalsContact O-N 3.13Å; L223-P225 VanDerWaalsContact C-CD 3.41Å |
| 224 | N | 55.8 | Low | 70.4 | Confident | 64 Ų | 64 | 107.1 Ų | 107.1 | 34% | 0.342 | 53% | 0.527 | S | S | . | . | trans | -123.2 | 61.8 | 178.7 | -60.9 | -39.8 | 0 | 0 | 0 | 112.6 | N220 S226 T228 | N220-N224 PolarHBondContact O-N 3.23Å; N224-S226 VanDerWaalsContact C-N 3.34Å; N224-T228 PolarHBondContact O-OG1 3.25Å | ||
| 225 | P | 56.6 | Low | 68.5 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 59% | 0.591 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -73.7 | -28.8 | 159.9 | 30 | -31.3 | 0 | 0 | 0 | 111.6 | L223 T228 | L223-P225 VanDerWaalsContact C-CD 3.41Å; P225-T228 PolarHBondContact O-OG1 2.8Å |
| 226 | S | 52.8 | Low | 66.6 | Low | 62 Ų | 62 | 108 Ų | 108 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -85.7 | -31.5 | -171.9 | 55 | 0 | 0 | 0 | 0 | 115.4 | N224 T228 A229 E230 | N224-S226 VanDerWaalsContact C-N 3.34Å; S226-T228 PolarHBondContact O-N 3.21Å; S226-A229 PolarHBondContact O-N 2.93Å; S226-E230 WeakPolarHBondContact O-CG 3.35Å; S226-E230 PolarHBondContact O-N 3.02Å; S226-E230 VanDerWaalsContact O-N 3.09Å |
| 227 | K | 51.3 | Low | 65 | Low | 127 Ų | 127 | 106.1 Ų | 106.1 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.1 | -34.1 | -179.5 | -67.5 | -168.1 | 176.2 | -173 | 0 | 113.5 | A229 E231 | K227-A229 VanDerWaalsContact C-N 3.3Å; K227-E231 WeakPolarHBondContact O-CG 3.29Å; K227-E231 PolarHBondContact O-N 3.09Å; K227-E231 VanDerWaalsContact O-N 3.14Å |
| 228 | T | 50.3 | Low | 63.4 | Low | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.9 | -30.1 | 171.8 | 18.7 | 0 | 0 | 0 | 0 | 112.6 | N224 P225 S226 E232 | N224-T228 PolarHBondContact O-OG1 3.25Å; P225-T228 PolarHBondContact O-OG1 2.8Å; S226-T228 PolarHBondContact O-N 3.21Å; T228-E232 WeakPolarHBondContact O-CB 3.49Å; T228-E232 VanDerWaalsContact O-CG 3.31Å; T228-E232 WeakPolarHBondContact O-CG 3.41Å; T228-E232 PolarHBondContact O-N 3.48Å |
| 229 | A | 55.4 | Low | 61.8 | Low | 54 Ų | 54 | 109.2 Ų | 109.2 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -74.6 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S226 K227 E233 | S226-A229 PolarHBondContact O-N 2.93Å; K227-A229 VanDerWaalsContact C-N 3.3Å; A229-E233 WeakPolarHBondContact O-CB 3.4Å; A229-E233 PolarHBondContact O-N 2.86Å; A229-E233 VanDerWaalsContact O-N 3.15Å |
| 230 | E | 56.5 | Low | 60.1 | Low | 113 Ų | 113 | 115.4 Ų | 115.4 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.9 | -34.3 | 179.8 | -69.7 | 169.6 | -163.6 | 0 | 0 | 112.8 | S226 Q234 | S226-E230 WeakPolarHBondContact O-CG 3.35Å; S226-E230 PolarHBondContact O-N 3.02Å; S226-E230 VanDerWaalsContact O-N 3.09Å; E230-Q234 WeakPolarHBondContact O-CG 3.47Å; E230-Q234 PolarHBondContact O-N 3.23Å |
| 231 | E | 57.8 | Low | 58.3 | Low | 133 Ų | 133 | 120.6 Ų | 120.6 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.5 | -35.8 | 174.8 | -73.4 | 173.6 | -176.2 | 0 | 0 | 112.1 | K227 E235 | K227-E231 WeakPolarHBondContact O-CG 3.29Å; K227-E231 PolarHBondContact O-N 3.09Å; K227-E231 VanDerWaalsContact O-N 3.14Å; E231-E235 PolarHBondContact O-N 2.95Å |
| 232 | E | 59 | Low | 57.5 | Low | 123 Ų | 123 | 119.1 Ų | 119.1 | 58% | 0.575 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.7 | -28 | 175.7 | -74.9 | 179.6 | -173.2 | 0 | 0 | 113.2 | T228 Q236 | T228-E232 WeakPolarHBondContact O-CB 3.49Å; T228-E232 VanDerWaalsContact O-CG 3.31Å; T228-E232 WeakPolarHBondContact O-CG 3.41Å; T228-E232 PolarHBondContact O-N 3.48Å; E232-Q236 WeakPolarHBondContact O-CG 3.16Å; E232-Q236 PolarHBondContact O-N 3Å; E232-Q236 PolarHBondContact O-NE2 2.69Å; E232-Q236 VanDerWaalsContact O-NE2 3.09Å |
| 233 | E | 59.8 | Low | 57 | Low | 147 Ų | 147 | 118.6 Ų | 118.6 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78.9 | -33.4 | 177.1 | -162.3 | 171.4 | -165.7 | 0 | 0 | 111.9 | A229 A237 | A229-E233 WeakPolarHBondContact O-CB 3.4Å; A229-E233 PolarHBondContact O-N 2.86Å; A229-E233 VanDerWaalsContact O-N 3.15Å; E233-A237 PolarHBondContact O-N 2.78Å; E233-A237 VanDerWaalsContact O-N 3.15Å |
| 234 | Q | 56.8 | Low | 56.6 | Low | 141 Ų | 141 | 117.8 Ų | 117.8 | 66% | 0.659 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.3 | -39.3 | 174.8 | -74.9 | 178.7 | 3 | 0 | 0 | 112.8 | E230 Q236 A237 E238 | E230-Q234 WeakPolarHBondContact O-CG 3.47Å; E230-Q234 PolarHBondContact O-N 3.23Å; Q234-Q236 VanDerWaalsContact C-N 3.28Å; Q234-Q236 PolarHBondContact O-N 2.69Å; Q234-A237 PolarHBondContact O-N 3.04Å; Q234-E238 PolarHBondContact O-N 3.33Å; Q234-E238 VanDerWaalsContact O-N 3.13Å |
| 235 | E | 58.7 | Low | 56.7 | Low | 112 Ų | 112 | 121 Ų | 121 | 52% | 0.523 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.8 | -28.2 | 177.1 | -157.1 | -170.2 | 148.5 | 0 | 0 | 112.4 | E231 K239 | E231-E235 PolarHBondContact O-N 2.95Å; E235-K239 PolarHBondContact O-N 3.01Å; E235-K239 IonicContact OE1-NZ 3.11Å; E235-K239 PolarHBondContact OE1-NZ 2.94Å |
| 236 | Q | 57.8 | Low | 56.7 | Low | 137 Ų | 137 | 122.9 Ų | 122.9 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.2 | -30.3 | 173.9 | -76.7 | 178.4 | 66.4 | 0 | 0 | 113.2 | E232 Q234 | E232-Q236 WeakPolarHBondContact O-CG 3.16Å; E232-Q236 PolarHBondContact O-N 3Å; E232-Q236 PolarHBondContact O-NE2 2.69Å; E232-Q236 VanDerWaalsContact O-NE2 3.09Å; Q234-Q236 VanDerWaalsContact C-N 3.28Å; Q234-Q236 PolarHBondContact O-N 2.69Å |
| 237 | A | 61.6 | Low | 56.9 | Low | 65 Ų | 65 | 126.9 Ų | 126.9 | 54% | 0.537 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.2 | -36.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E233 Q234 K240 | E233-A237 PolarHBondContact O-N 2.78Å; E233-A237 VanDerWaalsContact O-N 3.15Å; Q234-A237 PolarHBondContact O-N 3.04Å; A237-K240 PolarHBondContact O-N 3.21Å |
| 238 | E | 61.7 | Low | 57.3 | Low | 158 Ų | 158 | 126.9 Ų | 126.9 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.8 | -29.1 | 180 | -165.1 | 171.7 | -175.5 | 0 | 0 | 113 | Q234 K240 | Q234-E238 PolarHBondContact O-N 3.33Å; Q234-E238 VanDerWaalsContact O-N 3.13Å; E238-K240 VanDerWaalsContact C-N 3.32Å; E238-K240 PolarHBondContact O-N 3.24Å |
| 239 | K | 61 | Low | 57.9 | Low | 160 Ų | 160 | 130.8 Ų | 130.8 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -5.9 | 175 | -78.3 | 171.8 | 176.5 | 158.9 | 0 | 114.6 | E235 | E235-K239 PolarHBondContact O-N 3.01Å; E235-K239 IonicContact OE1-NZ 3.11Å; E235-K239 PolarHBondContact OE1-NZ 2.94Å |
| 240 | K | 56.8 | Low | 58.1 | Low | 195 Ų | 195 | 137.2 Ų | 137.2 | 85% | 0.848 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -3.2 | -178.9 | -155.4 | 178.5 | -179.8 | -175.2 | 0 | 113.3 | A237 E238 | A237-K240 PolarHBondContact O-N 3.21Å; E238-K240 VanDerWaalsContact C-N 3.32Å; E238-K240 PolarHBondContact O-N 3.24Å |
| 241 | S | 49.6 | Very low | 58.2 | Low | 162 Ų | 162 | 139.4 Ų | 139.4 | 100% | 1.133 | 70% | 0.696 | S | S | * | * | trans | -98.5 | 0 | 168.4 | -171.2 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 241 of 241 residues in 308.9 ms
(Link to these results)