| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40 | Very low | 38.2 | Very low | 250 Ų | 250 | 146.1 Ų | 146.1 | 100% | 1.232 | 85% | 0.847 | S | S | * | * | 0 | 105 | 0 | -82.3 | 170.5 | 169.1 | 0 | 0 | 106.6 | |||||
| 2 | A | 37.1 | Very low | 38.2 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | trans | -111.6 | 118.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 3 | E | 32.5 | Very low | 38.3 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | trans | -71.3 | 124.8 | 174.6 | -100 | 179.2 | 93.4 | 0 | 0 | 110.1 | ||||
| 4 | L | 35.8 | Very low | 38.4 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 87% | 0.869 | 84% | 0.844 | S | S | * | * | trans | -86.7 | 109.4 | 166.4 | -91.8 | 149 | 0 | 0 | 0 | 108 | V6 | L4-V6 PolarHBondContact O-N 3.36Š| ||
| 5 | H | 33.6 | Very low | 38.7 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 75% | 0.745 | 84% | 0.842 | S | S | * | * | trans | -78.4 | 116 | 167.4 | -112.4 | 82.7 | 0 | 0 | 0 | 109.1 | ||||
| 6 | V | 37.3 | Very low | 38.3 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 75% | 0.752 | 84% | 0.842 | S | S | * | * | trans | -82.5 | 124.4 | 170.5 | 176.2 | 0 | 0 | 0 | 0 | 107.9 | L4 | L4-V6 PolarHBondContact O-N 3.36Š| ||
| 7 | V | 41.5 | Very low | 38.4 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | trans | -109.1 | 109.5 | 170.9 | 176.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 8 | E | 43.8 | Very low | 38.6 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | trans | -86.7 | 134.4 | 165.4 | -71.3 | -168.8 | 122.1 | 0 | 0 | 109.9 | ||||
| 9 | P | 42.5 | Very low | 38.4 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -96.8 | 104.5 | 162.1 | 31.5 | -25.7 | 0 | 0 | 0 | 110.7 | ||||
| 10 | S | 36.8 | Very low | 38.3 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -77.6 | 126.7 | 157.9 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | G | 38.8 | Very low | 38.3 | Very low | 77 Ų | 77 | 151.9 Ų | 151.9 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | trans | -177.1 | 88.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 12 | T | 39.1 | Very low | 38.1 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -67.4 | 123.9 | 166.8 | 45 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 13 | A | 39.1 | Very low | 38.5 | Very low | 90 Ų | 90 | 148.1 Ų | 148.1 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -133.5 | 106.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 14 | T | 39.5 | Very low | 38.8 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -67 | 123.7 | 168.5 | -23.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 15 | I | 42.5 | Very low | 38.7 | Very low | 159 Ų | 159 | 147 Ų | 147 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -108.1 | 118.1 | 172.8 | -66.7 | 178.2 | 0 | 0 | 0 | 108.4 | ||||
| 16 | E | 33.5 | Very low | 39.1 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -66.4 | 145.6 | 176 | -67.1 | 178.9 | 102.5 | 0 | 0 | 112.4 | ||||
| 17 | Q | 39.3 | Very low | 39.2 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -71.2 | 157.3 | 166.9 | -65.1 | 177.9 | -1.6 | 0 | 0 | 111.2 | ||||
| 18 | P | 41.8 | Very low | 39.1 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -124.1 | 135.5 | 146.5 | 32.5 | -19.7 | 0 | 0 | 0 | 112.6 | ||||
| 19 | E | 35 | Very low | 38.8 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -76.5 | 145.5 | 173.2 | -72.1 | -151 | 123.1 | 0 | 0 | 114 | ||||
| 20 | H | 37 | Very low | 38.5 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 68% | 0.681 | 83% | 0.827 | S | S | * | * | trans | 43.1 | 113.8 | 138.3 | -135.9 | -97.5 | 0 | 0 | 0 | 120.9 | D22 | H20-D22 IonicContact CE1-OD2 3.17Å; H20-D22 PolarHBondContact CE1-OD2 3.35Å; H20-D22 IonicContact ND1-OD2 2.92Å; H20-D22 PolarHBondContact ND1-OD2 2.79Å | ||
| 21 | R | 38 | Very low | 38.7 | Very low | 242 Ų | 242 | 150.6 Ų | 150.6 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -140 | 121.7 | 141.4 | -86.2 | -166.7 | 179.7 | -177.5 | 0.3 | 112.2 | ||||
| 22 | D | 36.2 | Very low | 38.9 | Very low | 132 Ų | 132 | 153 Ų | 153 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | -52.2 | 132.7 | 164.7 | -69.8 | -94.9 | 0 | 0 | 0 | 113.4 | H20 | H20-D22 IonicContact CE1-OD2 3.17Å; H20-D22 PolarHBondContact CE1-OD2 3.35Å; H20-D22 IonicContact ND1-OD2 2.92Å; H20-D22 PolarHBondContact ND1-OD2 2.79Å | ||
| 23 | V | 44.8 | Very low | 38.7 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -139.1 | 111.7 | 150.6 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 24 | R | 38.2 | Very low | 38.8 | Very low | 252 Ų | 252 | 155.5 Ų | 155.5 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | trans | -52.1 | 130.1 | 164.1 | -77.1 | 174.3 | 169.2 | -165.9 | -3.2 | 110.7 | ||||
| 25 | G | 34.2 | Very low | 38.6 | Very low | 71 Ų | 71 | 156.4 Ų | 156.4 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | -162.3 | 80.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M27 | G25-M27 PolarHBondContact O-N 3.28Š| ||
| 26 | S | 41.4 | Very low | 38.9 | Very low | 108 Ų | 108 | 156 Ų | 156 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -61.7 | 114.7 | 174.8 | 175 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 27 | M | 40.2 | Very low | 39.5 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -134.4 | 95.5 | 158.7 | -66.8 | -159.5 | -175.5 | 0 | 0 | 109.5 | G25 L29 | G25-M27 PolarHBondContact O-N 3.28Å; M27-L29 PolarHBondContact O-N 3.36Å | ||
| 28 | R | 38.8 | Very low | 39.6 | Very low | 239 Ų | 239 | 150.3 Ų | 150.3 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -73.7 | 114.2 | 167.7 | -71.3 | -179.1 | 173.1 | -177.8 | -2.7 | 108.1 | ||||
| 29 | L | 38.7 | Very low | 39.4 | Very low | 175 Ų | 175 | 155.7 Ų | 155.7 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -87.2 | 115.9 | 162.8 | -79.7 | 164.1 | 0 | 0 | 0 | 108.1 | M27 | M27-L29 PolarHBondContact O-N 3.36Š| ||
| 30 | A | 36.5 | Very low | 39.7 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -74.7 | 131.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 31 | S | 39.9 | Very low | 39.7 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | trans | -66.3 | 140.4 | 166.3 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | T33 | S31-T33 PolarHBondContact O-N 3.4Š| ||
| 32 | P | 42.5 | Very low | 40 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -77.5 | 113.3 | 170 | 27.9 | -28.7 | 0 | 0 | 0 | 110.7 | L34 | P32-L34 PolarHBondContact O-N 2.7Š| ||
| 33 | T | 36.2 | Very low | 40.1 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -62.5 | 118.5 | 169 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | S31 L35 | S31-T33 PolarHBondContact O-N 3.4Å; T33-L35 PolarHBondContact O-N 3.07Å | ||
| 34 | L | 39.8 | Very low | 39.6 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -76.1 | 114.8 | 167 | -105.1 | 156.1 | 0 | 0 | 0 | 109.5 | P32 I36 | P32-L34 PolarHBondContact O-N 2.7Å; L34-I36 PolarHBondContact O-N 3.37Å | ||
| 35 | L | 36.6 | Very low | 39.5 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -73.8 | 110.9 | 177 | -149.9 | 85.3 | 0 | 0 | 0 | 109.3 | T33 | T33-L35 PolarHBondContact O-N 3.07Š| ||
| 36 | I | 47.8 | Very low | 40.2 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 77% | 0.774 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 121.4 | 169.4 | -59.3 | 170.3 | 0 | 0 | 0 | 107.7 | L34 | L34-I36 PolarHBondContact O-N 3.37Š|
| 37 | P | 47.5 | Very low | 39.9 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 142.6 | 174.2 | 30.1 | -31.1 | 0 | 0 | 0 | 111.2 | ||
| 38 | P | 41.5 | Very low | 39.5 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 132.1 | 175.9 | 32.9 | -30.7 | 0 | 0 | 0 | 110.1 | ||
| 39 | R | 37.4 | Very low | 39.1 | Very low | 239 Ų | 239 | 128.2 Ų | 128.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -116.3 | 101.4 | 163.5 | -96.2 | -175.8 | 169.3 | -116.9 | 1 | 110.8 | ||||
| 40 | S | 40.4 | Very low | 38.7 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | 43.1 | 109.3 | 136.1 | 60.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 41 | S | 37 | Very low | 38.7 | Very low | 120 Ų | 120 | 125 Ų | 125 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -60.7 | 140.9 | 150.2 | 40.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 42 | S | 43.6 | Very low | 38.5 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -152.4 | 102.9 | 150.7 | 45.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 43 | Q | 38.4 | Very low | 38 | Very low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | 57.3 | 100.3 | 85.5 | -80.2 | -125.6 | 13.3 | 0 | 0 | 115.5 | |||||
| 44 | L | 34.2 | Very low | 37.8 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 72% | 0.723 | 82% | 0.815 | S | S | * | * | 59.7 | 112 | 118.5 | -70.6 | 160.2 | 0 | 0 | 0 | 121.8 | |||||
| 45 | S | 37.8 | Very low | 37.7 | Very low | 100 Ų | 100 | 120.4 Ų | 120.4 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | 79.5 | 172.9 | 125 | -51.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 46 | P | 49.1 | Very low | 37.7 | Very low | 130 Ų | 130 | 116.5 Ų | 116.5 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | -132.5 | 169.4 | -72 | 38.9 | -22.4 | 0 | 0 | 0 | 113.1 | |||||
| 47 | G | 33.3 | Very low | 37.2 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 171.4 | 135.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 48 | G | 32.8 | Very low | 36.6 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | cis | 143.6 | 117 | 13.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 49 | G | 30.5 | Very low | 36.4 | Very low | 89 Ų | 89 | 119.4 Ų | 119.4 | 92% | 0.918 | 82% | 0.816 | S | S | * | * | trans | 86.3 | 131.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 50 | G | 31 | Very low | 36.4 | Very low | 85 Ų | 85 | 117.1 Ų | 117.1 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 146.6 | 57.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 51 | S | 35 | Very low | 36.1 | Very low | 118 Ų | 118 | 115.9 Ų | 115.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -88.5 | 149.7 | 162.8 | -77.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 52 | S | 35.6 | Very low | 36.3 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | 94 | 131.2 | 147.4 | 78.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 53 | G | 31.7 | Very low | 36.3 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | 119.1 | 87.6 | 136.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 54 | G | 33.3 | Very low | 36.3 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -160.9 | 66.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 55 | S | 37.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 123 Ų | 123 | 92% | 0.923 | 83% | 0.829 | S | S | * | * | trans | -65.8 | 128.4 | 168.9 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 56 | G | 35.5 | Very low | 36.9 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -146.8 | 113.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 57 | R | 37.8 | Very low | 36.4 | Very low | 237 Ų | 237 | 124.4 Ų | 124.4 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | trans | -82.1 | 155.5 | -169.3 | -56.9 | 161.4 | 94.4 | -166.4 | 7.6 | 111.5 | ||||
| 58 | S | 35.5 | Very low | 37.1 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | trans | 119.3 | 115.6 | 130.2 | -70 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 59 | V | 36.3 | Very low | 37.5 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 66% | 0.661 | 82% | 0.821 | S | S | * | * | 63.5 | 112.6 | 125.4 | -166.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 60 | F | 37 | Very low | 38.1 | Very low | 191 Ų | 191 | 128 Ų | 128 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | -174.9 | 121.5 | 109 | -92.3 | -70.9 | 0 | 0 | 0 | 109.1 | |||||
| 61 | G | 35.4 | Very low | 38.9 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 145.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 62 | F | 40.3 | Very low | 39.1 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | trans | -130.8 | 134 | 159.2 | -76.3 | -83.4 | 0 | 0 | 0 | 108.5 | ||||
| 63 | P | 44.3 | Very low | 39.9 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -77.8 | 140.4 | -172.4 | 30.6 | -33.2 | 0 | 0 | 0 | 111.9 | K65 | P63-K65 PolarHBondContact O-N 3.19Š| ||
| 64 | L | 38.6 | Very low | 40.9 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -52 | 122.8 | 163.6 | -99.5 | 71.1 | 0 | 0 | 0 | 110.2 | ||||
| 65 | K | 41.8 | Very low | 41.4 | Very low | 204 Ų | 204 | 136 Ų | 136 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -109.8 | 108 | 151.3 | -92.3 | -179.5 | 174.4 | -179.2 | 0 | 107.4 | P63 N67 | P63-K65 PolarHBondContact O-N 3.19Å; K65-N67 PolarHBondContact O-N 3.01Å | ||
| 66 | S | 42.3 | Very low | 42 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -66.5 | 119.2 | 165.5 | 40.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 67 | N | 39.6 | Very low | 42.9 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -122.7 | 122.2 | 164.5 | -153.7 | 43.6 | 0 | 0 | 0 | 107.1 | K65 S69 | K65-N67 PolarHBondContact O-N 3.01Å; N67-S69 PolarHBondContact O-N 2.87Å | ||
| 68 | P | 48 | Very low | 43.2 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -84.4 | 97.1 | -179.2 | 31.8 | -29 | 0 | 0 | 0 | 108.9 | ||||
| 69 | S | 39.4 | Very low | 44.1 | Very low | 90 Ų | 90 | 136 Ų | 136 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -109.7 | 123 | 172.3 | 51.5 | 0 | 0 | 0 | 0 | 111 | N67 | N67-S69 PolarHBondContact O-N 2.87Š| ||
| 70 | S | 43.9 | Very low | 45.6 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 84.9 | 145.4 | 144.7 | -50 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 71 | P | 47.5 | Very low | 47.9 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -69.4 | 137.3 | -174.7 | 8.4 | 6.1 | 0 | 0 | 0 | 109.7 | E73 | P71-E73 PolarHBondContact O-N 2.89Š| ||
| 72 | S | 39.1 | Very low | 50.5 | Low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -62.7 | 98.3 | 171.3 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 73 | E | 52.8 | Low | 53 | Low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -58.1 | 134.5 | 154.8 | -69.7 | -69 | 132.3 | 0 | 0 | 108.2 | P71 L75 | P71-E73 PolarHBondContact O-N 2.89Å; E73-L75 PolarHBondContact O-N 3.31Å | ||
| 74 | P | 52.1 | Low | 55.3 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | trans | -64.4 | 122.1 | 178.1 | 25.4 | -30.4 | 0 | 0 | 0 | 109.6 | D76 | P74-D76 PolarHBondContact O-N 3.15Š| ||
| 75 | L | 44.6 | Very low | 58 | Low | 167 Ų | 167 | 117.3 Ų | 117.3 | 87% | 0.874 | 65% | 0.653 | S | S | * | * | trans | -64.5 | 97.7 | 174.5 | -173 | 71.8 | 0 | 0 | 0 | 109.1 | E73 K77 | E73-L75 PolarHBondContact O-N 3.31Å; L75-K77 PolarHBondContact O-N 2.7Å | ||
| 76 | D | 51.2 | Low | 60.6 | Low | 151 Ų | 151 | 108.6 Ų | 108.6 | 81% | 0.807 | 62% | 0.616 | S | S | * | * | trans | -53.5 | 111.7 | 172.3 | -81.5 | -40.4 | 0 | 0 | 0 | 110 | P74 P78 | P74-D76 PolarHBondContact O-N 3.15Å; D76-P78 WeakPolarHBondContact O-CD 3.36Å | ||
| 77 | K | 53.3 | Low | 63.1 | Low | 184 Ų | 184 | 103 Ų | 103 | 80% | 0.8 | 58% | 0.577 | S | S | * | * | trans | -60.8 | 125.9 | 169.9 | -74.6 | 176.8 | 179.9 | 170 | 0 | 108.2 | L75 G79 | L75-K77 PolarHBondContact O-N 2.7Å; K77-G79 PolarHBondContact O-N 3.43Å | ||
| 78 | P | 45.2 | Very low | 65.8 | Low | 139 Ų | 139 | 98.4 Ų | 98.4 | 90% | 0.903 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 15.7 | -176.5 | 27.5 | -34 | 0 | 0 | 0 | 114.9 | D76 | D76-P78 WeakPolarHBondContact O-CD 3.36Š|
| 79 | G | 54 | Low | 67.9 | Low | 74 Ų | 74 | 94.9 Ų | 94.9 | 76% | 0.763 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -10.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | K77 | K77-G79 PolarHBondContact O-N 3.43Š|
| 80 | S | 66.8 | Low | 70.6 | Confident | 40 Ų | 40 | 93.7 Ų | 93.7 | 28% | 0.28 | 54% | 0.539 | S | S | . | . | trans | -122 | 27.3 | -164 | -152.1 | 0 | 0 | 0 | 0 | 115.3 | K96 E113 | S80-K96 WeakPolarHBondContact O-CD 3.47Å; S80-K96 WeakPolarHBondContact O-CE 3.24Å; S80-K96 WeakPolarHBondContact O-CG 3.37Å; S80-K96 WeakPolarHBondContact OG-CE 3.44Å; S80-K96 PolarHBondContact OG-NZ 3.32Å; S80-E113 PolarHBondContact OG-OE1 3.46Å | ||
| 81 | R | 85.8 | Confident | 73.1 | Confident | 163 Ų | 163 | 94 Ų | 94 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -71.6 | -43.7 | 176.3 | 176.4 | 178.5 | 178.5 | -177.1 | 1 | 112.3 | T95 K96 | R81-T95 HydrophobicContact CG-CG2 4.23Å; R81-T95 CarbonylContact O-C 3.52Å; R81-T95 WeakPolarHBondContact O-CA 3.39Å; R81-T95 WeakPolarHBondContact O-CB 3.43Å; R81-K96 PolarHBondContact O-N 2.91Å |
| 82 | W | 90.5 | Very high | 75.5 | Confident | 162 Ų | 162 | 90.5 Ų | 90.5 | 61% | 0.614 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 138.1 | -175.7 | -68.1 | 99.7 | 0 | 0 | 0 | 110 | I93 T94 T95 | W82-I93 HydrophobicContact CE3-CG2 3.78Å; W82-I93 HydrophobicContact CZ3-CG2 4.24Å; W82-T94 CarbonylContact C-O 3.51Å; W82-T94 WeakPolarHBondContact CA-O 3.46Å; W82-T94 VanDerWaalsContact CE3-O 3.31Å; W82-T95 HydrophobicContact CD2-CG2 4.02Å; W82-T95 HydrophobicContact CE3-CG2 3.73Å; W82-T95 HydrophobicContact CH2-CG2 4.05Å; W82-T95 HydrophobicContact CZ2-CG2 4.32Å; W82-T95 HydrophobicContact CZ3-CG2 3.74Å |
| 83 | V | 91.3 | Very high | 78.1 | Confident | 7 Ų | 7 | 89.3 Ų | 89.3 | 4% | 0.042 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.1 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L85 T94 K96 L99 Y127 | V83-L85 HydrophobicContact CG1-CD2 3.88Å; V83-L85 HydrophobicContact CG1-CG 4.49Å; V83-T94 PolarHBondContact N-O 3.22Å; V83-T94 PolarHBondContact O-N 3.47Å; V83-K96 HydrophobicContact CG2-CB 4.38Å; V83-K96 HydrophobicContact CG2-CG 3.41Å; V83-K96 VanDerWaalsContact CG2-CG 3.41Å; V83-L99 HydrophobicContact CB-CD1 4.27Å; V83-L99 HydrophobicContact CG1-CD1 4.02Å; V83-L99 HydrophobicContact CG2-CD1 4.43Å; V83-Y127 HydrophobicContact CG1-CD2 3.63Å; V83-Y127 HydrophobicContact CG1-CE2 3.67Å |
| 84 | R | 93.5 | Very high | 80.1 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.1 | 173.4 | -61.8 | 178.5 | 63.9 | -154.7 | -7.8 | 108.3 | F92 I93 T124 A126 Y127 | R84-F92 WeakPolarHBondContact CA-O 3.39Å; R84-I93 HydrophobicContact CG-CG1 4.33Å; R84-T124 VanDerWaalsContact NH1-CB 3.26Å; R84-T124 PolarHBondContact NH1-O 3.49Å; R84-T124 PolarHBondContact NH1-OG1 2.93Å; R84-T124 PolarHBondContact NH2-OG1 3.5Å; R84-A126 HydrophobicContact CB-CB 3.61Å; R84-A126 VanDerWaalsContact O-CA 3.3Å; R84-A126 WeakPolarHBondContact O-CA 3.37Å; R84-Y127 PolarHBondContact O-N 3.14Å |
| 85 | L | 95.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.1 | 176.6 | -53.5 | 176 | 0 | 0 | 0 | 107.4 | V83 V87 Y91 F92 T94 L99 L110 Y127 I129 F136 | V83-L85 HydrophobicContact CG1-CD2 3.88Å; V83-L85 HydrophobicContact CG1-CG 4.49Å; L85-V87 HydrophobicContact CB-CG2 4.25Å; L85-Y91 CarbonylContact O-C 3.56Å; L85-Y91 VanDerWaalsContact O-CA 3.31Å; L85-Y91 WeakPolarHBondContact O-CA 3.45Å; L85-F92 HydrophobicContact CB-CB 4.33Å; L85-F92 PolarHBondContact N-O 3.36Å; L85-F92 PolarHBondContact O-N 3.13Å; L85-T94 HydrophobicContact CD1-CG2 4.32Å; L85-L99 HydrophobicContact CD1-CD2 4.27Å; L85-L99 HydrophobicContact CD2-CD1 4.45Å; L85-L110 HydrophobicContact CD2-CD1 4.04Å; L85-Y127 CarbonylContact C-O 3.6Å; L85-Y127 HydrophobicContact CD2-CD2 4.13Å; L85-Y127 HydrophobicContact CD2-CG 4.49Å; L85-I129 HydrophobicContact CD2-CD1 4.46Å; L85-F136 HydrophobicContact CD1-CE1 4.01Å; L85-F136 HydrophobicContact CD1-CZ 3.68Å |
| 86 | N | 95.8 | Very high | 84.3 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 11% | 0.112 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 99.5 | 171.5 | -176.1 | -10.7 | 0 | 0 | 0 | 107.8 | G89 T90 Y91 A126 Y127 L128 I129 | N86-G89 VanDerWaalsContact OD1-C 3.23Å; N86-G89 WeakPolarHBondContact OD1-CA 3.44Å; N86-G89 PolarHBondContact OD1-N 2.88Å; N86-G89 VanDerWaalsContact OD1-N 3.09Å; N86-T90 PolarHBondContact OD1-N 3.4Å; N86-Y91 HydrophobicContact CB-CD1 4.15Å; N86-Y91 HydrophobicContact CB-CE1 3.97Å; N86-Y91 PolarHBondContact ND2-OH 3.32Å; N86-A126 HydrophobicContact CB-CB 4.3Å; N86-Y127 PolarHBondContact N-O 3.36Å; N86-L128 CarbonylContact O-C 3.57Å; N86-I129 PolarHBondContact O-N 3Å |
| 87 | V | 96.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 109.1 | -176.8 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | L85 G89 T90 F92 I129 R131 P133 F136 | L85-V87 HydrophobicContact CB-CG2 4.25Å; V87-G89 PolarHBondContact O-N 3.03Å; V87-T90 PolarHBondContact N-O 3.12Å; V87-T90 PolarHBondContact O-N 3Å; V87-F92 HydrophobicContact CB-CD2 4.11Å; V87-F92 HydrophobicContact CB-CE2 3.98Å; V87-F92 HydrophobicContact CG2-CD2 3.84Å; V87-F92 HydrophobicContact CG2-CE2 4.17Å; V87-I129 CarbonylContact C-O 3.54Å; V87-I129 WeakPolarHBondContact CA-O 3.38Å; V87-I129 HydrophobicContact CG1-CB 4.43Å; V87-I129 HydrophobicContact CG1-CG2 4.34Å; V87-I129 HydrophobicContact CG2-CB 4.18Å; V87-I129 HydrophobicContact CG2-CD1 4.14Å; V87-R131 HydrophobicContact CG1-CB 4.08Å; V87-R131 WeakPolarHBondContact CG1-O 3.39Å; V87-P133 HydrophobicContact CB-CB 4.48Å; V87-P133 WeakPolarHBondContact O-CB 3.37Å; V87-F136 HydrophobicContact CB-CD1 4.42Å; V87-F136 HydrophobicContact CG1-CB 4.16Å; V87-F136 HydrophobicContact CG1-CG 4.22Å; V87-F136 HydrophobicContact CG2-CD1 3.74Å; V87-F136 HydrophobicContact CG2-CD2 4.48Å; V87-F136 HydrophobicContact CG2-CE1 3.81Å; V87-F136 HydrophobicContact CG2-CG 4.08Å; V87-F136 HydrophobicContact CG2-CZ 4.23Å |
| 88 | G | 94.5 | Very high | 88.2 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 30.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I129 R131 | G88-I129 PolarHBondContact N-O 3.38Å; G88-R131 WeakPolarHBondContact CA-O 3.48Å; G88-R131 PolarHBondContact N-O 3.32Å; G88-R131 VanDerWaalsContact N-O 3.17Å |
| 89 | G | 93.4 | Very high | 90.4 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -5.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N86 V87 | N86-G89 VanDerWaalsContact OD1-C 3.23Å; N86-G89 WeakPolarHBondContact OD1-CA 3.44Å; N86-G89 PolarHBondContact OD1-N 2.88Å; N86-G89 VanDerWaalsContact OD1-N 3.09Å; V87-G89 PolarHBondContact O-N 3.03Å |
| 90 | T | 96.5 | Very high | 92.2 | Very high | 64 Ų | 64 | 55.3 Ų | 55.3 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.8 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | N86 V87 F92 P133 | N86-T90 PolarHBondContact OD1-N 3.4Å; V87-T90 PolarHBondContact N-O 3.12Å; V87-T90 PolarHBondContact O-N 3Å; T90-F92 HydrophobicContact CG2-CD2 4.39Å; T90-F92 HydrophobicContact CG2-CE2 3.72Å; T90-F92 HydrophobicContact CG2-CZ 4.03Å; T90-F92 WeakPolarHBondContact O-CD2 3.5Å; T90-P133 HydrophobicContact CG2-CB 4.19Å; T90-P133 WeakPolarHBondContact OG1-CG 3.27Å |
| 91 | Y | 96.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 60.7 Ų | 60.7 | 45% | 0.447 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128.3 | -179.1 | -67.9 | -90.7 | 0 | 0 | 0 | 112.5 | L85 N86 D122 A126 | L85-Y91 CarbonylContact O-C 3.56Å; L85-Y91 VanDerWaalsContact O-CA 3.31Å; L85-Y91 WeakPolarHBondContact O-CA 3.45Å; N86-Y91 HydrophobicContact CB-CD1 4.15Å; N86-Y91 HydrophobicContact CB-CE1 3.97Å; N86-Y91 PolarHBondContact ND2-OH 3.32Å; Y91-D122 WeakPolarHBondContact CE1-OD2 3.38Å; Y91-D122 PolarHBondContact OH-OD2 2.75Å; Y91-A126 HydrophobicContact CD1-CB 4.18Å; Y91-A126 HydrophobicContact CE1-CB 3.97Å |
| 92 | F | 96.5 | Very high | 93.6 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.5 | 170.1 | -64.1 | -95.7 | 0 | 0 | 0 | 109.9 | R84 L85 V87 T90 P133 F136 L140 | R84-F92 WeakPolarHBondContact CA-O 3.39Å; L85-F92 HydrophobicContact CB-CB 4.33Å; L85-F92 PolarHBondContact N-O 3.36Å; L85-F92 PolarHBondContact O-N 3.13Å; V87-F92 HydrophobicContact CB-CD2 4.11Å; V87-F92 HydrophobicContact CB-CE2 3.98Å; V87-F92 HydrophobicContact CG2-CD2 3.84Å; V87-F92 HydrophobicContact CG2-CE2 4.17Å; T90-F92 HydrophobicContact CG2-CD2 4.39Å; T90-F92 HydrophobicContact CG2-CE2 3.72Å; T90-F92 HydrophobicContact CG2-CZ 4.03Å; T90-F92 WeakPolarHBondContact O-CD2 3.5Å; F92-P133 HydrophobicContact CE2-CB 3.91Å; F92-P133 HydrophobicContact CZ-CB 4.17Å; F92-F136 HydrophobicContact CB-CE1 4.07Å; F92-F136 AromaticContact CD1-CD1 3.87Å; F92-F136 HydrophobicContact CD1-CD1 3.87Å; F92-F136 HydrophobicContact CD1-CE1 4.15Å; F92-F136 AromaticContact CD2-CD1 3.66Å; F92-F136 HydrophobicContact CD2-CD1 3.66Å; F92-F136 AromaticContact CD2-CE1 3.98Å; F92-F136 HydrophobicContact CD2-CE1 3.98Å; F92-F136 AromaticContact CE1-CD1 3.92Å; F92-F136 HydrophobicContact CE1-CD1 3.92Å; F92-F136 AromaticContact CE2-CD1 3.72Å; F92-F136 HydrophobicContact CE2-CD1 3.72Å; F92-F136 HydrophobicContact CE2-CE1 4.49Å; F92-F136 AromaticContact CG-CD1 3.74Å; F92-F136 HydrophobicContact CG-CD1 3.74Å; F92-F136 AromaticContact CG-CE1 3.79Å; F92-F136 HydrophobicContact CG-CE1 3.79Å; F92-F136 HydrophobicContact CZ-CB 4.4Å; F92-F136 AromaticContact CZ-CD1 3.85Å; F92-F136 HydrophobicContact CZ-CD1 3.85Å; F92-L140 HydrophobicContact CB-CD2 4.11Å; F92-L140 HydrophobicContact CD1-CD2 3.98Å; F92-L140 HydrophobicContact CG-CD2 4.41Å |
| 93 | I | 94.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.1 | 177.3 | -57.3 | 178.4 | 0 | 0 | 0 | 108.4 | W82 R84 R144 | W82-I93 HydrophobicContact CE3-CG2 3.78Å; W82-I93 HydrophobicContact CZ3-CG2 4.24Å; R84-I93 HydrophobicContact CG-CG1 4.33Å; I93-R144 PolarHBondContact O-NH2 3.37Å |
| 94 | T | 95.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | -175.3 | 178.9 | -164.8 | 0 | 0 | 0 | 0 | 110.5 | W82 V83 L85 T98 L99 L140 | W82-T94 CarbonylContact C-O 3.51Å; W82-T94 WeakPolarHBondContact CA-O 3.46Å; W82-T94 VanDerWaalsContact CE3-O 3.31Å; V83-T94 PolarHBondContact N-O 3.22Å; V83-T94 PolarHBondContact O-N 3.47Å; L85-T94 HydrophobicContact CD1-CG2 4.32Å; T94-T98 WeakPolarHBondContact OG1-CB 3.28Å; T94-T98 PolarHBondContact OG1-OG1 2.76Å; T94-L99 HydrophobicContact CG2-CD1 4.22Å; T94-L99 HydrophobicContact CG2-CD2 3.83Å; T94-L99 HydrophobicContact CG2-CG 3.96Å; T94-L140 HydrophobicContact CG2-CD1 4.13Å |
| 95 | T | 93.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 153.4 | 175.3 | 67.4 | 0 | 0 | 0 | 0 | 110.9 | R81 W82 Q97 T98 L99 | R81-T95 HydrophobicContact CG-CG2 4.23Å; R81-T95 CarbonylContact O-C 3.52Å; R81-T95 WeakPolarHBondContact O-CA 3.39Å; R81-T95 WeakPolarHBondContact O-CB 3.43Å; W82-T95 HydrophobicContact CD2-CG2 4.02Å; W82-T95 HydrophobicContact CE3-CG2 3.73Å; W82-T95 HydrophobicContact CH2-CG2 4.05Å; W82-T95 HydrophobicContact CZ2-CG2 4.32Å; W82-T95 HydrophobicContact CZ3-CG2 3.74Å; T95-Q97 PolarHBondContact O-N 2.79Å; T95-T98 VanDerWaalsContact O-CB 3.31Å; T95-T98 WeakPolarHBondContact O-CB 3.24Å; T95-T98 PolarHBondContact O-N 2.94Å; T95-T98 PolarHBondContact OG1-N 2.91Å; T95-T98 PolarHBondContact OG1-OG1 2.89Å; T95-L99 PolarHBondContact O-N 2.85Å |
| 96 | K | 90.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 17% | 0.17 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -51.6 | -43 | 172.1 | -75.5 | -168 | 178 | 178.9 | 0 | 112 | S80 R81 V83 T98 L99 C100 C111 E113 | S80-K96 WeakPolarHBondContact O-CD 3.47Å; S80-K96 WeakPolarHBondContact O-CE 3.24Å; S80-K96 WeakPolarHBondContact O-CG 3.37Å; S80-K96 WeakPolarHBondContact OG-CE 3.44Å; S80-K96 PolarHBondContact OG-NZ 3.32Å; R81-K96 PolarHBondContact O-N 2.91Å; V83-K96 HydrophobicContact CG2-CB 4.38Å; V83-K96 HydrophobicContact CG2-CG 3.41Å; V83-K96 VanDerWaalsContact CG2-CG 3.41Å; K96-T98 PolarHBondContact O-N 2.99Å; K96-T98 VanDerWaalsContact O-N 3.16Å; K96-L99 PolarHBondContact O-N 3.45Å; K96-C100 WeakPolarHBondContact O-CB 3.12Å; K96-C100 PolarHBondContact O-N 3.43Å; K96-C111 PolarHBondContact O-SG 3.28Å; K96-E113 VanDerWaalsContact CE-OE1 3.3Å; K96-E113 WeakPolarHBondContact CE-OE1 3.5Å; K96-E113 IonicContact NZ-OE1 2.66Å; K96-E113 PolarHBondContact NZ-OE1 3.39Å; K96-E113 IonicContact NZ-OE2 3.19Å; K96-E113 PolarHBondContact NZ-OE2 3.1Å |
| 97 | Q | 92.3 | Very high | 92.9 | Very high | 153 Ų | 153 | 55.3 Ų | 55.3 | 72% | 0.715 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -53.3 | -38.4 | 177.5 | -174.1 | -178 | -0.1 | 0 | 0 | 112.8 | T95 | T95-Q97 PolarHBondContact O-N 2.79Å |
| 98 | T | 94.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -44 | 177.1 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | T94 T95 K96 C100 R101 L140 L143 R144 | T94-T98 WeakPolarHBondContact OG1-CB 3.28Å; T94-T98 PolarHBondContact OG1-OG1 2.76Å; T95-T98 VanDerWaalsContact O-CB 3.31Å; T95-T98 WeakPolarHBondContact O-CB 3.24Å; T95-T98 PolarHBondContact O-N 2.94Å; T95-T98 PolarHBondContact OG1-N 2.91Å; T95-T98 PolarHBondContact OG1-OG1 2.89Å; K96-T98 PolarHBondContact O-N 2.99Å; K96-T98 VanDerWaalsContact O-N 3.16Å; T98-C100 VanDerWaalsContact C-N 3.31Å; T98-R101 WeakPolarHBondContact O-CB 3.48Å; T98-R101 PolarHBondContact O-N 3.47Å; T98-L140 HydrophobicContact CG2-CD1 4.31Å; T98-L143 HydrophobicContact CG2-CB 3.75Å; T98-R144 HydrophobicContact CG2-CB 4.5Å; T98-R144 HydrophobicContact CG2-CG 3.69Å |
| 99 | L | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.6 | -30.8 | -179.9 | -57 | -176.9 | 0 | 0 | 0 | 111.9 | V83 L85 T94 T95 K96 R101 L107 L110 C111 | V83-L99 HydrophobicContact CB-CD1 4.27Å; V83-L99 HydrophobicContact CG1-CD1 4.02Å; V83-L99 HydrophobicContact CG2-CD1 4.43Å; L85-L99 HydrophobicContact CD1-CD2 4.27Å; L85-L99 HydrophobicContact CD2-CD1 4.45Å; T94-L99 HydrophobicContact CG2-CD1 4.22Å; T94-L99 HydrophobicContact CG2-CD2 3.83Å; T94-L99 HydrophobicContact CG2-CG 3.96Å; T95-L99 PolarHBondContact O-N 2.85Å; K96-L99 PolarHBondContact O-N 3.45Å; L99-R101 PolarHBondContact O-N 2.86Å; L99-L107 HydrophobicContact CD2-CB 4.19Å; L99-L107 HydrophobicContact CD2-CD1 4.4Å; L99-L107 HydrophobicContact CD2-CD2 4.49Å; L99-L110 HydrophobicContact CD1-CB 4.08Å; L99-C111 HydrophobicContact CB-CB 4.19Å |
| 100 | C | 91.2 | Very high | 91.8 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -0.1 | 176.4 | -95.4 | 0 | 0 | 0 | 0 | 114.7 | K96 T98 D102 F108 C111 | K96-C100 WeakPolarHBondContact O-CB 3.12Å; K96-C100 PolarHBondContact O-N 3.43Å; T98-C100 VanDerWaalsContact C-N 3.31Å; C100-D102 PolarHBondContact O-N 3.25Å; C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.22Å; C100-C111 HydrophobicContact CB-CB 4.08Å; C100-C111 WeakPolarHBondContact CB-SG 3.33Å; C100-C111 WeakPolarHBondContact SG-CB 3.4Å; C100-C111 CovalentContact SG-SG 2.03Å; C100-C111 PolarHBondContact SG-SG 2.67Å |
| 101 | R | 91.4 | Very high | 91.2 | Very high | 152 Ų | 152 | 55.8 Ų | 55.8 | 57% | 0.574 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31.6 | -172.6 | -171.7 | 167.4 | 178.7 | 88.5 | -2.6 | 113.9 | T98 L99 L143 | T98-R101 WeakPolarHBondContact O-CB 3.48Å; T98-R101 PolarHBondContact O-N 3.47Å; L99-R101 PolarHBondContact O-N 2.86Å; R101-L143 HydrophobicContact CB-CD2 4.33Å; R101-L143 WeakPolarHBondContact CD-O 3.45Å |
| 102 | D | 91.3 | Very high | 90.5 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | trans | -122.3 | 105.4 | 175.6 | -167.5 | -21.9 | 0 | 0 | 0 | 110.3 | C100 K104 S105 F108 | C100-D102 PolarHBondContact O-N 3.25Å; D102-K104 PolarHBondContact O-N 2.87Å; D102-K104 VanDerWaalsContact O-N 3.14Å; D102-K104 PolarHBondContact OD1-N 2.84Å; D102-K104 VanDerWaalsContact OD1-N 3.1Å; D102-S105 WeakPolarHBondContact O-CB 3.47Å; D102-S105 PolarHBondContact O-N 2.83Å; D102-S105 VanDerWaalsContact O-N 3.08Å; D102-S105 PolarHBondContact O-OG 2.86Å; D102-F108 WeakPolarHBondContact O-CB 3.41Å | ||
| 103 | P | 88.9 | Confident | 89.2 | Confident | 89 Ų | 89 | 58.5 Ų | 58.5 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.8 | -178.3 | -25 | 34.8 | 0 | 0 | 0 | 115.4 | F108 | P103-F108 HydrophobicContact CB-CD2 4.36Å; P103-F108 HydrophobicContact CB-CE2 4.27Å; P103-F108 HydrophobicContact CB-CZ 4.39Å; P103-F108 HydrophobicContact CG-CE2 4.45Å |
| 104 | K | 88.6 | Confident | 88.1 | Confident | 163 Ų | 163 | 56.3 Ų | 56.3 | 71% | 0.709 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -10 | -179.7 | -64.4 | -179.2 | 179.8 | 178 | 0 | 112.7 | D102 N167 | D102-K104 PolarHBondContact O-N 2.87Å; D102-K104 VanDerWaalsContact O-N 3.14Å; D102-K104 PolarHBondContact OD1-N 2.84Å; D102-K104 VanDerWaalsContact OD1-N 3.1Å; K104-N167 PolarHBondContact O-ND2 2.77Å |
| 105 | S | 91 | Very high | 86.7 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -73.4 | 149.9 | -177.3 | 75.4 | 0 | 0 | 0 | 0 | 111.6 | D102 L107 F108 Y166 | D102-S105 WeakPolarHBondContact O-CB 3.47Å; D102-S105 PolarHBondContact O-N 2.83Å; D102-S105 VanDerWaalsContact O-N 3.08Å; D102-S105 PolarHBondContact O-OG 2.86Å; S105-L107 PolarHBondContact O-N 2.83Å; S105-L107 PolarHBondContact OG-N 3.15Å; S105-F108 VanDerWaalsContact O-CB 3.24Å; S105-F108 WeakPolarHBondContact O-CB 3.3Å; S105-F108 PolarHBondContact O-N 3.24Å; S105-F108 VanDerWaalsContact O-N 3.08Å; S105-F108 PolarHBondContact OG-N 2.53Å; S105-F108 VanDerWaalsContact OG-N 3.16Å; S105-Y166 CarbonylContact C-O 3.4Å; S105-Y166 WeakPolarHBondContact CA-O 3.15Å; S105-Y166 WeakPolarHBondContact CB-O 3.24Å |
| 106 | F | 89.9 | Confident | 85.4 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 21% | 0.211 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51 | -39.7 | 167.8 | 168 | -87.3 | 0 | 0 | 0 | 111.3 | F108 R109 L110 I129 Y166 | F106-F108 PolarHBondContact O-N 2.9Å; F106-R109 WeakPolarHBondContact O-CB 3.24Å; F106-R109 PolarHBondContact O-N 2.77Å; F106-L110 HydrophobicContact CE1-CD1 4.13Å; F106-I129 HydrophobicContact CE1-CD1 4.27Å; F106-Y166 HydrophobicContact CB-CD1 4.44Å; F106-Y166 AromaticContact CD1-CD1 3.98Å; F106-Y166 HydrophobicContact CD1-CD1 3.98Å; F106-Y166 HydrophobicContact CD1-CE1 4.31Å; F106-Y166 PolarHBondContact N-O 3.13Å |
| 107 | L | 91.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.8 | -21.9 | -176.5 | -64.4 | 173.1 | 0 | 0 | 0 | 113 | L99 S105 R109 L110 C111 I129 F136 L143 Y166 | L99-L107 HydrophobicContact CD2-CB 4.19Å; L99-L107 HydrophobicContact CD2-CD1 4.4Å; L99-L107 HydrophobicContact CD2-CD2 4.49Å; S105-L107 PolarHBondContact O-N 2.83Å; S105-L107 PolarHBondContact OG-N 3.15Å; L107-R109 VanDerWaalsContact C-N 3.27Å; L107-R109 PolarHBondContact O-N 2.74Å; L107-L110 HydrophobicContact CB-CD1 4.42Å; L107-L110 HydrophobicContact CD2-CD1 3.53Å; L107-L110 WeakPolarHBondContact O-CB 3.28Å; L107-L110 PolarHBondContact O-N 2.74Å; L107-C111 PolarHBondContact O-N 2.79Å; L107-I129 HydrophobicContact CD2-CD1 4.18Å; L107-F136 HydrophobicContact CD1-CE2 4.3Å; L107-F136 HydrophobicContact CD2-CE2 4.46Å; L107-L143 HydrophobicContact CD1-CD1 3.5Å; L107-Y166 HydrophobicContact CD1-CD1 4.04Å; L107-Y166 HydrophobicContact CD1-CG 4.23Å; L107-Y166 HydrophobicContact CD2-CD1 3.86Å; L107-Y166 HydrophobicContact CD2-CE1 4Å; L107-Y166 HydrophobicContact CG-CD1 3.73Å; L107-Y166 HydrophobicContact CG-CE1 4.37Å; L107-Y166 HydrophobicContact CG-CG 4.33Å |
| 108 | F | 89.7 | Confident | 83.1 | Confident | 50 Ų | 50 | 62 Ų | 62 | 22% | 0.219 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 174.9 | -170.8 | -103.2 | 0 | 0 | 0 | 112.3 | C100 D102 P103 S105 F106 L110 C111 Q112 | C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.22Å; D102-F108 WeakPolarHBondContact O-CB 3.41Å; P103-F108 HydrophobicContact CB-CD2 4.36Å; P103-F108 HydrophobicContact CB-CE2 4.27Å; P103-F108 HydrophobicContact CB-CZ 4.39Å; P103-F108 HydrophobicContact CG-CE2 4.45Å; S105-F108 VanDerWaalsContact O-CB 3.24Å; S105-F108 WeakPolarHBondContact O-CB 3.3Å; S105-F108 PolarHBondContact O-N 3.24Å; S105-F108 VanDerWaalsContact O-N 3.08Å; S105-F108 PolarHBondContact OG-N 2.53Å; S105-F108 VanDerWaalsContact OG-N 3.16Å; F106-F108 PolarHBondContact O-N 2.9Å; F108-L110 PolarHBondContact O-N 2.76Å; F108-C111 WeakPolarHBondContact O-CA 3.42Å; F108-C111 WeakPolarHBondContact O-CB 3.42Å; F108-C111 PolarHBondContact O-N 2.83Å; F108-Q112 HydrophobicContact CD1-CG 4.06Å; F108-Q112 HydrophobicContact CE1-CG 3.66Å; F108-Q112 HydrophobicContact CZ-CG 4.15Å; F108-Q112 PolarHBondContact O-N 3.09Å |
| 109 | R | 87.6 | Confident | 81.8 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -35 | 178.2 | -60.9 | -169.5 | -66.3 | 149.2 | -3.1 | 112.1 | F106 L107 C111 Q112 D114 L117 | F106-R109 WeakPolarHBondContact O-CB 3.24Å; F106-R109 PolarHBondContact O-N 2.77Å; L107-R109 VanDerWaalsContact C-N 3.27Å; L107-R109 PolarHBondContact O-N 2.74Å; R109-C111 VanDerWaalsContact C-N 3.28Å; R109-C111 PolarHBondContact O-N 2.87Å; R109-Q112 PolarHBondContact O-N 2.99Å; R109-D114 PolarHBondContact O-N 3.49Å; R109-L117 HydrophobicContact CB-CD1 3.94Å |
| 110 | L | 85.7 | Confident | 81.2 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.2 | -29.8 | 174.3 | -56.2 | 159.9 | 0 | 0 | 0 | 111.9 | L85 L99 F106 L107 F108 L117 Y127 I129 | L85-L110 HydrophobicContact CD2-CD1 4.04Å; L99-L110 HydrophobicContact CD1-CB 4.08Å; F106-L110 HydrophobicContact CE1-CD1 4.13Å; L107-L110 HydrophobicContact CB-CD1 4.42Å; L107-L110 HydrophobicContact CD2-CD1 3.53Å; L107-L110 WeakPolarHBondContact O-CB 3.28Å; L107-L110 PolarHBondContact O-N 2.74Å; F108-L110 PolarHBondContact O-N 2.76Å; L110-L117 HydrophobicContact CD2-CD1 3.93Å; L110-L117 HydrophobicContact CG-CD1 4.38Å; L110-Y127 HydrophobicContact CD2-CD1 3.29Å; L110-Y127 HydrophobicContact CD2-CD2 3.96Å; L110-Y127 HydrophobicContact CD2-CE1 3.74Å; L110-Y127 HydrophobicContact CD2-CE2 4.37Å; L110-Y127 HydrophobicContact CD2-CG 3.39Å; L110-I129 HydrophobicContact CD1-CD1 4.36Å |
| 111 | C | 83.3 | Confident | 81 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 8% | 0.081 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 176.4 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | K96 L99 C100 L107 F108 R109 E113 | K96-C111 PolarHBondContact O-SG 3.28Å; L99-C111 HydrophobicContact CB-CB 4.19Å; C100-C111 HydrophobicContact CB-CB 4.08Å; C100-C111 WeakPolarHBondContact CB-SG 3.33Å; C100-C111 WeakPolarHBondContact SG-CB 3.4Å; C100-C111 CovalentContact SG-SG 2.03Å; C100-C111 PolarHBondContact SG-SG 2.67Å; L107-C111 PolarHBondContact O-N 2.79Å; F108-C111 WeakPolarHBondContact O-CA 3.42Å; F108-C111 WeakPolarHBondContact O-CB 3.42Å; F108-C111 PolarHBondContact O-N 2.83Å; R109-C111 VanDerWaalsContact C-N 3.28Å; R109-C111 PolarHBondContact O-N 2.87Å; C111-E113 PolarHBondContact O-N 2.82Å |
| 112 | Q | 80.4 | Confident | 80.8 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -2.6 | -177.6 | -63.9 | -66.4 | 91.9 | 0 | 0 | 113.7 | F108 R109 D114 | F108-Q112 HydrophobicContact CD1-CG 4.06Å; F108-Q112 HydrophobicContact CE1-CG 3.66Å; F108-Q112 HydrophobicContact CZ-CG 4.15Å; F108-Q112 PolarHBondContact O-N 3.09Å; R109-Q112 PolarHBondContact O-N 2.99Å; Q112-D114 VanDerWaalsContact C-N 3.26Å; Q112-D114 PolarHBondContact O-N 3.13Å |
| 113 | E | 71 | Confident | 80.7 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 41% | 0.407 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 52.1 | -171.7 | -72.4 | 177.1 | 165.1 | 0 | 0 | 110.8 | S80 K96 C111 P115 | S80-E113 PolarHBondContact OG-OE1 3.46Å; K96-E113 VanDerWaalsContact CE-OE1 3.3Å; K96-E113 WeakPolarHBondContact CE-OE1 3.5Å; K96-E113 IonicContact NZ-OE1 2.66Å; K96-E113 PolarHBondContact NZ-OE1 3.39Å; K96-E113 IonicContact NZ-OE2 3.19Å; K96-E113 PolarHBondContact NZ-OE2 3.1Å; C111-E113 PolarHBondContact O-N 2.82Å; E113-P115 WeakPolarHBondContact O-CD 3.34Å |
| 114 | D | 69.9 | Low | 80.5 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | trans | -55.6 | 118.7 | 177.3 | -164.5 | -16.7 | 0 | 0 | 0 | 109.8 | R109 Q112 D116 L117 | R109-D114 PolarHBondContact O-N 3.49Å; Q112-D114 VanDerWaalsContact C-N 3.26Å; Q112-D114 PolarHBondContact O-N 3.13Å; D114-D116 PolarHBondContact O-N 3.28Å; D114-D116 VanDerWaalsContact O-N 3.1Å; D114-D116 PolarHBondContact OD1-N 3.34Å; D114-L117 HydrophobicContact CB-CD1 4.01Å; D114-L117 HydrophobicContact CB-CG 4.08Å; D114-L117 WeakPolarHBondContact O-CB 3.26Å; D114-L117 PolarHBondContact O-N 2.99Å | ||
| 115 | P | 65.4 | Low | 80.4 | Confident | 94 Ų | 94 | 66.4 Ų | 66.4 | 61% | 0.61 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -57.4 | -25.5 | -178.1 | -23.9 | 33 | 0 | 0 | 0 | 113.1 | E113 L117 D118 | E113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-L117 PolarHBondContact O-N 3.01Å; P115-D118 WeakPolarHBondContact O-CB 3.49Å; P115-D118 PolarHBondContact O-N 3.4Å |
| 116 | D | 68.1 | Low | 80.5 | Confident | 130 Ų | 130 | 66.2 Ų | 66.2 | 70% | 0.695 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -69.1 | -14.3 | 177.8 | -70.3 | -20.1 | 0 | 0 | 0 | 112.8 | D114 | D114-D116 PolarHBondContact O-N 3.28Å; D114-D116 VanDerWaalsContact O-N 3.1Å; D114-D116 PolarHBondContact OD1-N 3.34Å |
| 117 | L | 69.9 | Low | 80.6 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -98.7 | 3.9 | 178.7 | -58.1 | 178.5 | 0 | 0 | 0 | 113.1 | R109 L110 D114 P115 S119 D120 Y127 | R109-L117 HydrophobicContact CB-CD1 3.94Å; L110-L117 HydrophobicContact CD2-CD1 3.93Å; L110-L117 HydrophobicContact CG-CD1 4.38Å; D114-L117 HydrophobicContact CB-CD1 4.01Å; D114-L117 HydrophobicContact CB-CG 4.08Å; D114-L117 WeakPolarHBondContact O-CB 3.26Å; D114-L117 PolarHBondContact O-N 2.99Å; P115-L117 PolarHBondContact O-N 3.01Å; L117-S119 PolarHBondContact O-N 3.25Å; L117-D120 PolarHBondContact O-N 3.45Å; L117-D120 VanDerWaalsContact O-N 3.08Å; L117-Y127 HydrophobicContact CB-CE1 4.27Å |
| 118 | D | 64.4 | Low | 80.7 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -68.9 | -23.5 | 178.1 | -81.1 | -22.4 | 0 | 0 | 0 | 112.7 | P115 D120 K121 | P115-D118 WeakPolarHBondContact O-CB 3.49Å; P115-D118 PolarHBondContact O-N 3.4Å; D118-D120 PolarHBondContact O-N 2.9Å; D118-K121 IonicContact OD1-NZ 3.34Å; D118-K121 PolarHBondContact OD1-NZ 3.42Å |
| 119 | S | 65.6 | Low | 80.8 | Confident | 99 Ų | 99 | 66.8 Ų | 66.8 | 69% | 0.692 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -70.4 | -20 | 170 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | L117 K121 | L117-S119 PolarHBondContact O-N 3.25Å; S119-K121 VanDerWaalsContact C-N 3.33Å; S119-K121 PolarHBondContact O-N 3.37Å |
| 120 | D | 79.9 | Confident | 81.2 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -100.7 | 28.2 | -173.5 | -59.1 | -17.3 | 0 | 0 | 0 | 111.1 | L117 D118 Y127 L128 | L117-D120 PolarHBondContact O-N 3.45Å; L117-D120 VanDerWaalsContact O-N 3.08Å; D118-D120 PolarHBondContact O-N 2.9Å; D120-Y127 CarbonylContact O-C 3.49Å; D120-Y127 WeakPolarHBondContact O-CA 3.48Å; D120-L128 VanDerWaalsContact C-CD1 3.42Å; D120-L128 WeakPolarHBondContact O-CD1 3.35Å; D120-L128 PolarHBondContact O-N 3.06Å |
| 121 | K | 88.5 | Confident | 81.7 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 27% | 0.274 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -112.2 | 139.1 | 174.1 | -70.2 | 173.6 | -176.4 | 162.6 | 0 | 110.9 | D118 S119 A126 Y127 | D118-K121 IonicContact OD1-NZ 3.34Å; D118-K121 PolarHBondContact OD1-NZ 3.42Å; S119-K121 VanDerWaalsContact C-N 3.33Å; S119-K121 PolarHBondContact O-N 3.37Å; K121-A126 WeakPolarHBondContact CA-O 3.38Å; K121-Y127 HydrophobicContact CD-CE1 4.19Å; K121-Y127 VanDerWaalsContact CE-OH 3.31Å; K121-Y127 WeakPolarHBondContact CE-OH 3.43Å; K121-Y127 HydrophobicContact CG-CD1 3.89Å; K121-Y127 HydrophobicContact CG-CE1 4.05Å; K121-Y127 HydrophobicContact CG-CG 4.44Å; K121-Y127 PolarHBondContact NZ-OH 3.26Å |
| 122 | D | 87.4 | Confident | 82.2 | Confident | 32 Ų | 32 | 75.3 Ų | 75.3 | 17% | 0.171 | 40% | 0.404 | C | S | . | . | trans | -79.9 | 174.4 | 174.1 | 68.3 | 19.2 | 0 | 0 | 0 | 111.6 | Y91 T124 G125 A126 L128 | Y91-D122 WeakPolarHBondContact CE1-OD2 3.38Å; Y91-D122 PolarHBondContact OH-OD2 2.75Å; D122-T124 PolarHBondContact O-N 2.96Å; D122-T124 VanDerWaalsContact OD1-C 3.24Å; D122-T124 WeakPolarHBondContact OD1-CA 3.4Å; D122-T124 WeakPolarHBondContact OD1-CB 3.42Å; D122-T124 PolarHBondContact OD1-N 2.99Å; D122-T124 PolarHBondContact OD1-OG1 2.86Å; D122-T124 PolarHBondContact OD2-OG1 3.1Å; D122-G125 PolarHBondContact O-N 3.15Å; D122-G125 PolarHBondContact OD1-N 3.35Å; D122-A126 PolarHBondContact N-O 3Å; D122-A126 PolarHBondContact OD1-N 3.46Å; D122-A126 WeakPolarHBondContact OD2-CB 3.4Å; D122-L128 HydrophobicContact CB-CD1 3.92Å | ||
| 123 | E | 87.9 | Confident | 83 | Confident | 207 Ų | 207 | 70.7 Ų | 70.7 | 97% | 0.967 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -21 | 176.4 | -60.2 | -178.9 | 172.9 | 0 | 0 | 113 | ||
| 124 | T | 85.8 | Confident | 84.2 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 0.4 | -179.2 | 86.3 | 0 | 0 | 0 | 0 | 113.3 | R84 D122 | R84-T124 VanDerWaalsContact NH1-CB 3.26Å; R84-T124 PolarHBondContact NH1-O 3.49Å; R84-T124 PolarHBondContact NH1-OG1 2.93Å; R84-T124 PolarHBondContact NH2-OG1 3.5Å; D122-T124 PolarHBondContact O-N 2.96Å; D122-T124 VanDerWaalsContact OD1-C 3.24Å; D122-T124 WeakPolarHBondContact OD1-CA 3.4Å; D122-T124 WeakPolarHBondContact OD1-CB 3.42Å; D122-T124 PolarHBondContact OD1-N 2.99Å; D122-T124 PolarHBondContact OD1-OG1 2.86Å; D122-T124 PolarHBondContact OD2-OG1 3.1Å |
| 125 | G | 86.6 | Confident | 85.4 | Confident | 41 Ų | 41 | 71 Ų | 71 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 77 | 17.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D122 | D122-G125 PolarHBondContact O-N 3.15Å; D122-G125 PolarHBondContact OD1-N 3.35Å |
| 126 | A | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 137.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R84 N86 Y91 K121 D122 L128 | R84-A126 HydrophobicContact CB-CB 3.61Å; R84-A126 VanDerWaalsContact O-CA 3.3Å; R84-A126 WeakPolarHBondContact O-CA 3.37Å; N86-A126 HydrophobicContact CB-CB 4.3Å; Y91-A126 HydrophobicContact CD1-CB 4.18Å; Y91-A126 HydrophobicContact CE1-CB 3.97Å; K121-A126 WeakPolarHBondContact CA-O 3.38Å; D122-A126 PolarHBondContact N-O 3Å; D122-A126 PolarHBondContact OD1-N 3.46Å; D122-A126 WeakPolarHBondContact OD2-CB 3.4Å; A126-L128 PolarHBondContact O-N 3Å |
| 127 | Y | 92.2 | Very high | 88.2 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125.9 | 176.4 | -66.9 | -84.9 | 0 | 0 | 0 | 110.8 | V83 R84 L85 N86 L110 L117 D120 K121 | V83-Y127 HydrophobicContact CG1-CD2 3.63Å; V83-Y127 HydrophobicContact CG1-CE2 3.67Å; R84-Y127 PolarHBondContact O-N 3.14Å; L85-Y127 CarbonylContact C-O 3.6Å; L85-Y127 HydrophobicContact CD2-CD2 4.13Å; L85-Y127 HydrophobicContact CD2-CG 4.49Å; N86-Y127 PolarHBondContact N-O 3.36Å; L110-Y127 HydrophobicContact CD2-CD1 3.29Å; L110-Y127 HydrophobicContact CD2-CD2 3.96Å; L110-Y127 HydrophobicContact CD2-CE1 3.74Å; L110-Y127 HydrophobicContact CD2-CE2 4.37Å; L110-Y127 HydrophobicContact CD2-CG 3.39Å; L117-Y127 HydrophobicContact CB-CE1 4.27Å; D120-Y127 CarbonylContact O-C 3.49Å; D120-Y127 WeakPolarHBondContact O-CA 3.48Å; K121-Y127 HydrophobicContact CD-CE1 4.19Å; K121-Y127 VanDerWaalsContact CE-OH 3.31Å; K121-Y127 WeakPolarHBondContact CE-OH 3.43Å; K121-Y127 HydrophobicContact CG-CD1 3.89Å; K121-Y127 HydrophobicContact CG-CE1 4.05Å; K121-Y127 HydrophobicContact CG-CG 4.44Å; K121-Y127 PolarHBondContact NZ-OH 3.26Å |
| 128 | L | 93.2 | Very high | 89.5 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.4 | 178.1 | -66.9 | 88.6 | 0 | 0 | 0 | 110.3 | N86 D120 D122 A126 | N86-L128 CarbonylContact O-C 3.57Å; D120-L128 VanDerWaalsContact C-CD1 3.42Å; D120-L128 WeakPolarHBondContact O-CD1 3.35Å; D120-L128 PolarHBondContact O-N 3.06Å; D122-L128 HydrophobicContact CB-CD1 3.92Å; A126-L128 PolarHBondContact O-N 3Å |
| 129 | I | 93.8 | Very high | 91 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.046 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 115.4 | 176.4 | -55.8 | -177.9 | 0 | 0 | 0 | 107.4 | L85 N86 V87 G88 F106 L107 L110 R131 F165 Y166 | L85-I129 HydrophobicContact CD2-CD1 4.46Å; N86-I129 PolarHBondContact O-N 3Å; V87-I129 CarbonylContact C-O 3.54Å; V87-I129 WeakPolarHBondContact CA-O 3.38Å; V87-I129 HydrophobicContact CG1-CB 4.43Å; V87-I129 HydrophobicContact CG1-CG2 4.34Å; V87-I129 HydrophobicContact CG2-CB 4.18Å; V87-I129 HydrophobicContact CG2-CD1 4.14Å; G88-I129 PolarHBondContact N-O 3.38Å; F106-I129 HydrophobicContact CE1-CD1 4.27Å; L107-I129 HydrophobicContact CD2-CD1 4.18Å; L110-I129 HydrophobicContact CD1-CD1 4.36Å; I129-R131 HydrophobicContact CG2-CB 3.96Å; I129-R131 HydrophobicContact CG2-CG 3.72Å; I129-R131 PolarHBondContact O-N 2.99Å; I129-F165 HydrophobicContact CG2-CE1 4.47Å; I129-Y166 HydrophobicContact CD1-CE1 4.48Å; I129-Y166 HydrophobicContact CG2-CE1 4.24Å |
| 130 | D | 94.4 | Very high | 92.5 | Very high | 159 Ų | 159 | 52.1 Ų | 52.1 | 85% | 0.85 | 28% | 0.28 | S | S | * | . | trans | -81.8 | 66.9 | 178.9 | -170.2 | 20.5 | 0 | 0 | 0 | 111.1 | ||||
| 131 | R | 95.8 | Very high | 93.3 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -139.1 | 164.6 | 179.4 | -64.7 | -58.5 | -62.9 | -178.2 | -3.9 | 111.1 | V87 G88 I129 P133 E162 F165 | V87-R131 HydrophobicContact CG1-CB 4.08Å; V87-R131 WeakPolarHBondContact CG1-O 3.39Å; G88-R131 WeakPolarHBondContact CA-O 3.48Å; G88-R131 PolarHBondContact N-O 3.32Å; G88-R131 VanDerWaalsContact N-O 3.17Å; I129-R131 HydrophobicContact CG2-CB 3.96Å; I129-R131 HydrophobicContact CG2-CG 3.72Å; I129-R131 PolarHBondContact O-N 2.99Å; R131-P133 WeakPolarHBondContact O-CD 3.33Å; R131-E162 WeakPolarHBondContact CB-OE2 3.34Å; R131-E162 IonicContact CZ-OE1 3.26Å; R131-E162 IonicContact NE-OE1 2.69Å; R131-E162 PolarHBondContact NE-OE1 2.92Å; R131-E162 IonicContact NE-OE2 3.28Å; R131-E162 PolarHBondContact NE-OE2 3.01Å; R131-E162 IonicContact NH2-OE1 3.17Å; R131-E162 PolarHBondContact NH2-OE1 3.16Å; R131-F165 HydrophobicContact CG-CD1 3.81Å; R131-F165 HydrophobicContact CG-CE1 3.49Å; R131-F165 VanDerWaalsContact CG-CE1 3.49Å; R131-F165 HydrophobicContact CG-CE2 4.39Å; R131-F165 HydrophobicContact CG-CG 4.41Å; R131-F165 HydrophobicContact CG-CZ 3.81Å |
| 132 | D | 94.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | trans | -72.9 | 118.9 | 179.9 | -171.8 | -18.1 | 0 | 0 | 0 | 111 | T134 Y135 | D132-T134 PolarHBondContact O-N 3.4Å; D132-T134 WeakPolarHBondContact OD1-CB 3.11Å; D132-T134 PolarHBondContact OD1-N 3.02Å; D132-T134 PolarHBondContact OD1-OG1 3.14Å; D132-Y135 HydrophobicContact CB-CD2 4.13Å; D132-Y135 WeakPolarHBondContact OD2-CE2 2.96Å | ||
| 133 | P | 96.3 | Very high | 94.1 | Very high | 27 Ų | 27 | 48 Ų | 48 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -22.4 | 178.7 | 26.3 | -34.6 | 0 | 0 | 0 | 113.9 | V87 T90 F92 R131 Y135 F136 | V87-P133 HydrophobicContact CB-CB 4.48Å; V87-P133 WeakPolarHBondContact O-CB 3.37Å; T90-P133 HydrophobicContact CG2-CB 4.19Å; T90-P133 WeakPolarHBondContact OG1-CG 3.27Å; F92-P133 HydrophobicContact CE2-CB 3.91Å; F92-P133 HydrophobicContact CZ-CB 4.17Å; R131-P133 WeakPolarHBondContact O-CD 3.33Å; P133-Y135 VanDerWaalsContact C-N 3.29Å; P133-Y135 PolarHBondContact O-N 3.47Å; P133-F136 PolarHBondContact O-N 2.94Å |
| 134 | T | 96.1 | Very high | 94.5 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.3 | -40.9 | -176.3 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | D132 L154 | D132-T134 PolarHBondContact O-N 3.4Å; D132-T134 WeakPolarHBondContact OD1-CB 3.11Å; D132-T134 PolarHBondContact OD1-N 3.02Å; D132-T134 PolarHBondContact OD1-OG1 3.14Å; T134-L154 HydrophobicContact CG2-CD1 3.73Å |
| 135 | Y | 96.4 | Very high | 94.9 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 21% | 0.212 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -92.8 | -11.5 | -178.3 | -60.8 | -73.2 | 0 | 0 | 0 | 113.3 | D132 P133 P138 I139 L154 A155 G158 V159 E162 | D132-Y135 HydrophobicContact CB-CD2 4.13Å; D132-Y135 WeakPolarHBondContact OD2-CE2 2.96Å; P133-Y135 VanDerWaalsContact C-N 3.29Å; P133-Y135 PolarHBondContact O-N 3.47Å; Y135-P138 WeakPolarHBondContact O-CD 3.41Å; Y135-I139 WeakPolarHBondContact O-CG1 3.16Å; Y135-L154 HydrophobicContact CD1-CD1 3.71Å; Y135-L154 HydrophobicContact CD1-CD2 4.21Å; Y135-L154 HydrophobicContact CD1-CG 3.87Å; Y135-L154 HydrophobicContact CE1-CD1 3.64Å; Y135-L154 HydrophobicContact CE1-CG 3.9Å; Y135-A155 HydrophobicContact CE1-CB 4.16Å; Y135-A155 WeakPolarHBondContact CE1-O 3.48Å; Y135-G158 VanDerWaalsContact CD1-C 3.44Å; Y135-V159 HydrophobicContact CD1-CG2 3.74Å; Y135-E162 VanDerWaalsContact CB-CG 3.45Å; Y135-E162 HydrophobicContact CG-CG 4.47Å |
| 136 | F | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.6 | -31.2 | -178.4 | -175.2 | -113.7 | 0 | 0 | 0 | 113.7 | L85 V87 F92 L107 P133 I139 L140 Y166 | L85-F136 HydrophobicContact CD1-CE1 4.01Å; L85-F136 HydrophobicContact CD1-CZ 3.68Å; V87-F136 HydrophobicContact CB-CD1 4.42Å; V87-F136 HydrophobicContact CG1-CB 4.16Å; V87-F136 HydrophobicContact CG1-CG 4.22Å; V87-F136 HydrophobicContact CG2-CD1 3.74Å; V87-F136 HydrophobicContact CG2-CD2 4.48Å; V87-F136 HydrophobicContact CG2-CE1 3.81Å; V87-F136 HydrophobicContact CG2-CG 4.08Å; V87-F136 HydrophobicContact CG2-CZ 4.23Å; F92-F136 HydrophobicContact CB-CE1 4.07Å; F92-F136 AromaticContact CD1-CD1 3.87Å; F92-F136 HydrophobicContact CD1-CD1 3.87Å; F92-F136 HydrophobicContact CD1-CE1 4.15Å; F92-F136 AromaticContact CD2-CD1 3.66Å; F92-F136 HydrophobicContact CD2-CD1 3.66Å; F92-F136 AromaticContact CD2-CE1 3.98Å; F92-F136 HydrophobicContact CD2-CE1 3.98Å; F92-F136 AromaticContact CE1-CD1 3.92Å; F92-F136 HydrophobicContact CE1-CD1 3.92Å; F92-F136 AromaticContact CE2-CD1 3.72Å; F92-F136 HydrophobicContact CE2-CD1 3.72Å; F92-F136 HydrophobicContact CE2-CE1 4.49Å; F92-F136 AromaticContact CG-CD1 3.74Å; F92-F136 HydrophobicContact CG-CD1 3.74Å; F92-F136 AromaticContact CG-CE1 3.79Å; F92-F136 HydrophobicContact CG-CE1 3.79Å; F92-F136 HydrophobicContact CZ-CB 4.4Å; F92-F136 AromaticContact CZ-CD1 3.85Å; F92-F136 HydrophobicContact CZ-CD1 3.85Å; L107-F136 HydrophobicContact CD1-CE2 4.3Å; L107-F136 HydrophobicContact CD2-CE2 4.46Å; P133-F136 PolarHBondContact O-N 2.94Å; F136-I139 HydrophobicContact CD2-CB 4.42Å; F136-I139 WeakPolarHBondContact O-CB 3.41Å; F136-I139 PolarHBondContact O-N 3.49Å; F136-I139 VanDerWaalsContact O-N 3.08Å; F136-L140 HydrophobicContact CD1-CB 4.47Å; F136-L140 HydrophobicContact CE1-CB 4.08Å; F136-L140 HydrophobicContact CE1-CD2 4.05Å; F136-L140 HydrophobicContact CE1-CG 4.48Å; F136-L140 HydrophobicContact CZ-CB 4.28Å; F136-L140 PolarHBondContact O-N 2.97Å; F136-Y166 HydrophobicContact CD2-CD2 4.47Å; F136-Y166 HydrophobicContact CD2-CE1 4.36Å; F136-Y166 AromaticContact CD2-CE2 3.59Å; F136-Y166 HydrophobicContact CD2-CE2 3.59Å; F136-Y166 AromaticContact CD2-CZ 3.53Å; F136-Y166 WeakPolarHBondContact CD2-OH 3.43Å; F136-Y166 HydrophobicContact CE2-CE1 4.06Å; F136-Y166 AromaticContact CE2-CE2 3.97Å; F136-Y166 HydrophobicContact CE2-CE2 3.97Å; F136-Y166 AromaticContact CE2-CZ 3.69Å |
| 137 | G | 95.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.1 | -54.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I139 L140 N141 | G137-I139 VanDerWaalsContact C-N 3.31Å; G137-I139 PolarHBondContact O-N 3.39Å; G137-L140 PolarHBondContact O-N 2.85Å; G137-N141 WeakPolarHBondContact O-CB 3.46Å; G137-N141 PolarHBondContact O-N 2.96Å; G137-N141 PolarHBondContact O-ND2 2.78Å |
| 138 | P | 96.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56 | -39.5 | 173.7 | -29.7 | 35.7 | 0 | 0 | 0 | 114.7 | Y135 N141 Y142 M150 L154 V159 | Y135-P138 WeakPolarHBondContact O-CD 3.41Å; P138-N141 PolarHBondContact O-N 3.19Å; P138-Y142 WeakPolarHBondContact O-CB 3.4Å; P138-Y142 PolarHBondContact O-N 2.88Å; P138-M150 HydrophobicContact CB-CG 3.81Å; P138-M150 HydrophobicContact CB-SD 4.46Å; P138-M150 HydrophobicContact CG-CG 3.93Å; P138-L154 HydrophobicContact CG-CD2 3.6Å; P138-V159 HydrophobicContact CB-CG1 4.15Å; P138-V159 HydrophobicContact CG-CG2 4.31Å |
| 139 | I | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 178.7 | -48.6 | -55.2 | 0 | 0 | 0 | 110 | Y135 F136 G137 N141 Y142 L143 V159 E162 A163 Y166 I168 L171 | Y135-I139 WeakPolarHBondContact O-CG1 3.16Å; F136-I139 HydrophobicContact CD2-CB 4.42Å; F136-I139 WeakPolarHBondContact O-CB 3.41Å; F136-I139 PolarHBondContact O-N 3.49Å; F136-I139 VanDerWaalsContact O-N 3.08Å; G137-I139 VanDerWaalsContact C-N 3.31Å; G137-I139 PolarHBondContact O-N 3.39Å; I139-N141 VanDerWaalsContact C-N 3.32Å; I139-N141 PolarHBondContact O-N 3.02Å; I139-Y142 WeakPolarHBondContact O-CB 3.23Å; I139-Y142 PolarHBondContact O-N 2.75Å; I139-L143 PolarHBondContact O-N 3.3Å; I139-L143 VanDerWaalsContact O-N 3.1Å; I139-V159 HydrophobicContact CD1-CG1 3.73Å; I139-E162 HydrophobicContact CD1-CB 4.09Å; I139-E162 HydrophobicContact CG1-CB 4Å; I139-A163 HydrophobicContact CD1-CB 3.99Å; I139-Y166 HydrophobicContact CB-CD2 4.49Å; I139-Y166 HydrophobicContact CG1-CD2 4.28Å; I139-Y166 HydrophobicContact CG1-CE2 4.45Å; I139-Y166 HydrophobicContact CG2-CD2 3.85Å; I139-Y166 HydrophobicContact CG2-CG 4.43Å; I139-I168 HydrophobicContact CG2-CD1 3.46Å; I139-I168 VanDerWaalsContact CG2-CD1 3.46Å; I139-L171 HydrophobicContact CB-CD2 4.4Å; I139-L171 HydrophobicContact CD1-CD2 3.52Å; I139-L171 HydrophobicContact CG2-CD2 4.05Å |
| 140 | L | 96.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 180 | -176.1 | 60.3 | 0 | 0 | 0 | 111.8 | F92 T94 T98 F136 G137 L143 R144 | F92-L140 HydrophobicContact CB-CD2 4.11Å; F92-L140 HydrophobicContact CD1-CD2 3.98Å; F92-L140 HydrophobicContact CG-CD2 4.41Å; T94-L140 HydrophobicContact CG2-CD1 4.13Å; T98-L140 HydrophobicContact CG2-CD1 4.31Å; F136-L140 HydrophobicContact CD1-CB 4.47Å; F136-L140 HydrophobicContact CE1-CB 4.08Å; F136-L140 HydrophobicContact CE1-CD2 4.05Å; F136-L140 HydrophobicContact CE1-CG 4.48Å; F136-L140 HydrophobicContact CZ-CB 4.28Å; F136-L140 PolarHBondContact O-N 2.97Å; G137-L140 PolarHBondContact O-N 2.85Å; L140-L143 PolarHBondContact O-N 3.48Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 3.49Å; L140-R144 VanDerWaalsContact O-N 3.08Å |
| 141 | N | 96.7 | Very high | 95.1 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 176.2 | -77.6 | -19.6 | 0 | 0 | 0 | 111.9 | G137 P138 I139 L143 R144 H145 | G137-N141 WeakPolarHBondContact O-CB 3.46Å; G137-N141 PolarHBondContact O-N 2.96Å; G137-N141 PolarHBondContact O-ND2 2.78Å; P138-N141 PolarHBondContact O-N 3.19Å; I139-N141 VanDerWaalsContact C-N 3.32Å; I139-N141 PolarHBondContact O-N 3.02Å; N141-L143 VanDerWaalsContact C-N 3.27Å; N141-L143 PolarHBondContact O-N 3.31Å; N141-R144 WeakPolarHBondContact O-CB 3.45Å; N141-R144 PolarHBondContact O-N 3.47Å; N141-R144 PolarHBondContact OD1-NH1 3.19Å; N141-H145 WeakPolarHBondContact CB-NE2 3.34Å; N141-H145 PolarHBondContact O-CD2 3.42Å; N141-H145 VanDerWaalsContact O-CD2 3.26Å; N141-H145 PolarHBondContact O-CE1 3.16Å; N141-H145 PolarHBondContact O-N 3.4Å; N141-H145 PolarHBondContact O-ND1 3.14Å; N141-H145 PolarHBondContact O-NE2 3.08Å; N141-H145 VanDerWaalsContact O-NE2 3.16Å |
| 142 | Y | 97 | Very high | 94.7 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 171.9 | 178.7 | -98.8 | 0 | 0 | 0 | 111.8 | P138 I139 R144 G146 I168 S170 L171 L174 | P138-Y142 WeakPolarHBondContact O-CB 3.4Å; P138-Y142 PolarHBondContact O-N 2.88Å; I139-Y142 WeakPolarHBondContact O-CB 3.23Å; I139-Y142 PolarHBondContact O-N 2.75Å; Y142-R144 VanDerWaalsContact C-N 3.3Å; Y142-R144 PolarHBondContact O-N 3.23Å; Y142-G146 WeakPolarHBondContact O-CA 3.4Å; Y142-G146 PolarHBondContact O-N 3.17Å; Y142-I168 HydrophobicContact CD1-CG2 4.08Å; Y142-I168 HydrophobicContact CE1-CG2 3.74Å; Y142-S170 VanDerWaalsContact OH-CB 3.26Å; Y142-S170 WeakPolarHBondContact OH-CB 3.08Å; Y142-S170 PolarHBondContact OH-OG 2.74Å; Y142-L171 HydrophobicContact CD1-CB 3.88Å; Y142-L171 HydrophobicContact CD1-CD1 4.2Å; Y142-L171 HydrophobicContact CD1-CD2 3.92Å; Y142-L171 HydrophobicContact CD1-CG 4.24Å; Y142-L171 HydrophobicContact CD2-CD1 3.79Å; Y142-L171 HydrophobicContact CE1-CB 3.8Å; Y142-L171 HydrophobicContact CE2-CD1 4.27Å; Y142-L171 HydrophobicContact CG-CB 4.3Å; Y142-L171 HydrophobicContact CG-CD1 3.74Å; Y142-L171 HydrophobicContact CG-CD2 4.02Å; Y142-L171 HydrophobicContact CG-CG 4.25Å; Y142-L174 HydrophobicContact CD2-CD1 4.47Å; Y142-L174 HydrophobicContact CE2-CD1 3.61Å |
| 143 | L | 95.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -26.6 | 175.9 | -64.4 | 176.7 | 0 | 0 | 0 | 113.3 | T98 R101 L107 I139 L140 N141 I168 | T98-L143 HydrophobicContact CG2-CB 3.75Å; R101-L143 HydrophobicContact CB-CD2 4.33Å; R101-L143 WeakPolarHBondContact CD-O 3.45Å; L107-L143 HydrophobicContact CD1-CD1 3.5Å; I139-L143 PolarHBondContact O-N 3.3Å; I139-L143 VanDerWaalsContact O-N 3.1Å; L140-L143 PolarHBondContact O-N 3.48Å; N141-L143 VanDerWaalsContact C-N 3.27Å; N141-L143 PolarHBondContact O-N 3.31Å; L143-I168 HydrophobicContact CD1-CD1 4.16Å; L143-I168 HydrophobicContact CD2-CD1 4.03Å; L143-I168 HydrophobicContact CG-CD1 4.22Å |
| 144 | R | 95.9 | Very high | 94.2 | Very high | 120 Ų | 120 | 64 Ų | 64 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74.3 | -45.9 | 177.7 | -72.8 | 170.3 | 174.4 | 169.8 | -5.7 | 112.9 | I93 T98 L140 N141 Y142 | I93-R144 PolarHBondContact O-NH2 3.37Å; T98-R144 HydrophobicContact CG2-CB 4.5Å; T98-R144 HydrophobicContact CG2-CG 3.69Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 3.49Å; L140-R144 VanDerWaalsContact O-N 3.08Å; N141-R144 WeakPolarHBondContact O-CB 3.45Å; N141-R144 PolarHBondContact O-N 3.47Å; N141-R144 PolarHBondContact OD1-NH1 3.19Å; Y142-R144 VanDerWaalsContact C-N 3.3Å; Y142-R144 PolarHBondContact O-N 3.23Å |
| 145 | H | 94.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 61.9 Ų | 61.9 | 39% | 0.394 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -128.6 | -3.9 | -170.1 | 51.7 | 64.4 | 0 | 0 | 0 | 115.1 | N141 K147 | N141-H145 WeakPolarHBondContact CB-NE2 3.34Å; N141-H145 PolarHBondContact O-CD2 3.42Å; N141-H145 VanDerWaalsContact O-CD2 3.26Å; N141-H145 PolarHBondContact O-CE1 3.16Å; N141-H145 PolarHBondContact O-N 3.4Å; N141-H145 PolarHBondContact O-ND1 3.14Å; N141-H145 PolarHBondContact O-NE2 3.08Å; N141-H145 VanDerWaalsContact O-NE2 3.16Å; H145-K147 PolarHBondContact CE1-O 2.94Å; H145-K147 PolarHBondContact ND1-N 2.86Å; H145-K147 PolarHBondContact ND1-O 3.45Å; H145-K147 PolarHBondContact O-N 3.17Å |
| 146 | G | 93.7 | Very high | 94 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 75.1 | 19.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y142 | Y142-G146 WeakPolarHBondContact O-CA 3.4Å; Y142-G146 PolarHBondContact O-N 3.17Å |
| 147 | K | 94.9 | Very high | 94 | Very high | 145 Ų | 145 | 65.9 Ų | 65.9 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | trans | -122.5 | 138.7 | 179.7 | -62.5 | -176.3 | 178.2 | -179.9 | 0 | 110 | H145 I149 | H145-K147 PolarHBondContact CE1-O 2.94Å; H145-K147 PolarHBondContact ND1-N 2.86Å; H145-K147 PolarHBondContact ND1-O 3.45Å; H145-K147 PolarHBondContact O-N 3.17Å; K147-I149 HydrophobicContact CB-CG1 4.35Å; K147-I149 PolarHBondContact O-N 3.24Å | ||
| 148 | L | 94.4 | Very high | 94 | Very high | 44 Ų | 44 | 65.6 Ų | 65.6 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | trans | -78.9 | 111.4 | 172.6 | 179.3 | 56.1 | 0 | 0 | 0 | 108.8 | M150 L171 L174 V175 R178 | L148-M150 HydrophobicContact CD1-CE 3.95Å; L148-M150 HydrophobicContact CD1-CG 3.7Å; L148-M150 HydrophobicContact CD1-SD 3.62Å; L148-M150 HydrophobicContact CD2-CE 3.99Å; L148-M150 HydrophobicContact CG-CE 4.05Å; L148-M150 HydrophobicContact CG-CG 4.36Å; L148-M150 HydrophobicContact CG-SD 4.36Å; L148-L171 HydrophobicContact CD1-CD1 3.77Å; L148-L174 HydrophobicContact CD2-CB 4.02Å; L148-V175 HydrophobicContact CD1-CG2 4.07Å; L148-V175 HydrophobicContact CD2-CB 4.49Å; L148-V175 HydrophobicContact CD2-CG2 3.8Å; L148-R178 HydrophobicContact CD2-CB 4.41Å | ||
| 149 | I | 92.8 | Very high | 94 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | trans | -128.8 | 119.1 | 176.6 | -56.5 | 177.2 | 0 | 0 | 0 | 106.9 | K147 | K147-I149 HydrophobicContact CB-CG1 4.35Å; K147-I149 PolarHBondContact O-N 3.24Å | ||
| 150 | M | 90.6 | Very high | 94 | Very high | 41 Ų | 41 | 66.3 Ų | 66.3 | 20% | 0.202 | 33% | 0.332 | C | S | . | . | trans | -138.6 | 144.8 | -178.4 | -56.4 | -175.2 | -63.6 | 0 | 0 | 108.9 | P138 L148 E156 V159 R178 | P138-M150 HydrophobicContact CB-CG 3.81Å; P138-M150 HydrophobicContact CB-SD 4.46Å; P138-M150 HydrophobicContact CG-CG 3.93Å; L148-M150 HydrophobicContact CD1-CE 3.95Å; L148-M150 HydrophobicContact CD1-CG 3.7Å; L148-M150 HydrophobicContact CD1-SD 3.62Å; L148-M150 HydrophobicContact CD2-CE 3.99Å; L148-M150 HydrophobicContact CG-CE 4.05Å; L148-M150 HydrophobicContact CG-CG 4.36Å; L148-M150 HydrophobicContact CG-SD 4.36Å; M150-E156 HydrophobicContact CE-CB 4.48Å; M150-E156 HydrophobicContact CE-CG 3.99Å; M150-V159 HydrophobicContact SD-CB 3.69Å; M150-V159 HydrophobicContact SD-CG1 3.56Å; M150-V159 VanDerWaalsContact SD-CG1 3.56Å; M150-V159 HydrophobicContact SD-CG2 3.52Å; M150-V159 VanDerWaalsContact SD-CG2 3.52Å; M150-R178 HydrophobicContact CE-CG 4.34Å | ||
| 151 | D | 90.2 | Very high | 94.1 | Very high | 130 Ų | 130 | 71.7 Ų | 71.7 | 70% | 0.695 | 36% | 0.357 | S | S | * | . | trans | -71.6 | 148.7 | 174.4 | -68.4 | -33.8 | 0 | 0 | 0 | 110.6 | N153 L154 | D151-N153 PolarHBondContact O-N 2.98Å; D151-N153 VanDerWaalsContact O-N 3.11Å; D151-L154 WeakPolarHBondContact O-CB 3.46Å; D151-L154 PolarHBondContact O-N 3.24Å; D151-L154 VanDerWaalsContact O-N 3.08Å | ||
| 152 | K | 86.2 | Confident | 94.1 | Very high | 207 Ų | 207 | 69.4 Ų | 69.4 | 90% | 0.9 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.6 | -178.1 | -62.4 | -176.4 | -179.6 | -174.9 | 0 | 114 | ||
| 153 | N | 88.8 | Confident | 94.1 | Very high | 164 Ų | 164 | 68.2 Ų | 68.2 | 88% | 0.877 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.9 | -177.8 | -57.8 | -17.9 | 0 | 0 | 0 | 112.3 | D151 | D151-N153 PolarHBondContact O-N 2.98Å; D151-N153 VanDerWaalsContact O-N 3.11Å |
| 154 | L | 92.5 | Very high | 94.2 | Very high | 31 Ų | 31 | 71.9 Ų | 71.9 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -88.7 | 128.6 | 178.8 | -167.3 | 70.3 | 0 | 0 | 0 | 108.9 | T134 Y135 P138 D151 E156 V159 | T134-L154 HydrophobicContact CG2-CD1 3.73Å; Y135-L154 HydrophobicContact CD1-CD1 3.71Å; Y135-L154 HydrophobicContact CD1-CD2 4.21Å; Y135-L154 HydrophobicContact CD1-CG 3.87Å; Y135-L154 HydrophobicContact CE1-CD1 3.64Å; Y135-L154 HydrophobicContact CE1-CG 3.9Å; P138-L154 HydrophobicContact CG-CD2 3.6Å; D151-L154 WeakPolarHBondContact O-CB 3.46Å; D151-L154 PolarHBondContact O-N 3.24Å; D151-L154 VanDerWaalsContact O-N 3.08Å; L154-E156 PolarHBondContact O-N 3.17Å; L154-V159 HydrophobicContact CD2-CG2 3.58Å; L154-V159 HydrophobicContact CG-CG2 4.15Å |
| 155 | A | 94 | Very high | 94.2 | Very high | 39 Ų | 39 | 70.2 Ų | 70.2 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | trans | -64 | 123.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y135 E157 G158 V159 | Y135-A155 HydrophobicContact CE1-CB 4.16Å; Y135-A155 WeakPolarHBondContact CE1-O 3.48Å; A155-E157 PolarHBondContact O-N 2.93Å; A155-G158 PolarHBondContact O-N 3.05Å; A155-V159 PolarHBondContact O-N 3.36Å | ||
| 156 | E | 94.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 66.1 Ų | 66.1 | 12% | 0.117 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.8 | -29.8 | -178.3 | -62 | -174.7 | 158 | 0 | 0 | 110.6 | M150 L154 V159 L160 V175 R178 I179 | M150-E156 HydrophobicContact CE-CB 4.48Å; M150-E156 HydrophobicContact CE-CG 3.99Å; L154-E156 PolarHBondContact O-N 3.17Å; E156-V159 PolarHBondContact O-N 2.97Å; E156-L160 PolarHBondContact O-N 3.43Å; E156-V175 WeakPolarHBondContact O-CG1 3.46Å; E156-R178 VanDerWaalsContact OE1-CG 3.23Å; E156-R178 WeakPolarHBondContact OE1-CG 3.46Å; E156-R178 IonicContact OE1-NE 2.78Å; E156-R178 PolarHBondContact OE1-NE 3.08Å; E156-I179 HydrophobicContact CB-CD1 4.11Å; E156-I179 HydrophobicContact CB-CG1 3.6Å; E156-I179 WeakPolarHBondContact OE2-CA 3.2Å; E156-I179 WeakPolarHBondContact OE2-CG1 3.47Å |
| 157 | E | 95.3 | Very high | 94.3 | Very high | 114 Ų | 114 | 69 Ų | 69 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 174.8 | -60.4 | 76.3 | -168.1 | 0 | 0 | 111.9 | A155 V159 L160 E161 | A155-E157 PolarHBondContact O-N 2.93Å; E157-V159 VanDerWaalsContact C-N 3.34Å; E157-V159 PolarHBondContact O-N 3.41Å; E157-L160 WeakPolarHBondContact O-CB 3.34Å; E157-L160 PolarHBondContact O-N 3.45Å; E157-E161 WeakPolarHBondContact O-CG 3.31Å; E157-E161 PolarHBondContact O-N 3.19Å |
| 158 | G | 96 | Very high | 94.4 | Very high | 13 Ų | 13 | 62 Ų | 62 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y135 A155 L160 E161 E162 | Y135-G158 VanDerWaalsContact CD1-C 3.44Å; A155-G158 PolarHBondContact O-N 3.05Å; G158-L160 VanDerWaalsContact C-N 3.32Å; G158-E161 PolarHBondContact O-N 3.26Å; G158-E162 PolarHBondContact O-N 3.03Å |
| 159 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 172.6 | -175.3 | 0 | 0 | 0 | 0 | 111 | Y135 P138 I139 M150 L154 A155 E156 E157 E162 A163 V175 | Y135-V159 HydrophobicContact CD1-CG2 3.74Å; P138-V159 HydrophobicContact CB-CG1 4.15Å; P138-V159 HydrophobicContact CG-CG2 4.31Å; I139-V159 HydrophobicContact CD1-CG1 3.73Å; M150-V159 HydrophobicContact SD-CB 3.69Å; M150-V159 HydrophobicContact SD-CG1 3.56Å; M150-V159 VanDerWaalsContact SD-CG1 3.56Å; M150-V159 HydrophobicContact SD-CG2 3.52Å; M150-V159 VanDerWaalsContact SD-CG2 3.52Å; L154-V159 HydrophobicContact CD2-CG2 3.58Å; L154-V159 HydrophobicContact CG-CG2 4.15Å; A155-V159 PolarHBondContact O-N 3.36Å; E156-V159 PolarHBondContact O-N 2.97Å; E157-V159 VanDerWaalsContact C-N 3.34Å; E157-V159 PolarHBondContact O-N 3.41Å; V159-E162 PolarHBondContact O-N 2.97Å; V159-A163 WeakPolarHBondContact O-CB 3.38Å; V159-A163 PolarHBondContact O-N 3.16Å; V159-V175 HydrophobicContact CG1-CG2 4.19Å |
| 160 | L | 97.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 60.6 Ų | 60.6 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 176.2 | -179.8 | 59 | 0 | 0 | 0 | 111.4 | E156 E157 G158 E162 A163 E164 V172 V175 K176 I179 | E156-L160 PolarHBondContact O-N 3.43Å; E157-L160 WeakPolarHBondContact O-CB 3.34Å; E157-L160 PolarHBondContact O-N 3.45Å; G158-L160 VanDerWaalsContact C-N 3.32Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 2.99Å; L160-A163 PolarHBondContact O-N 3.16Å; L160-E164 HydrophobicContact CD1-CG 4.36Å; L160-E164 WeakPolarHBondContact O-CG 3.46Å; L160-E164 PolarHBondContact O-N 3.26Å; L160-V172 HydrophobicContact CD1-CG1 3.98Å; L160-V175 HydrophobicContact CB-CG1 3.77Å; L160-V175 HydrophobicContact CD1-CB 4.25Å; L160-V175 HydrophobicContact CD1-CG1 4.21Å; L160-K176 HydrophobicContact CD1-CD 4.43Å; L160-K176 HydrophobicContact CD1-CG 3.81Å; L160-K176 HydrophobicContact CD2-CG 4.1Å; L160-I179 HydrophobicContact CB-CD1 4.4Å; L160-I179 HydrophobicContact CD2-CD1 4.04Å |
| 161 | E | 97.6 | Very high | 94.8 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 54% | 0.537 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57 | -45.3 | 176.7 | -70.6 | -65.2 | 144.7 | 0 | 0 | 111.9 | E157 G158 E164 F165 | E157-E161 WeakPolarHBondContact O-CG 3.31Å; E157-E161 PolarHBondContact O-N 3.19Å; G158-E161 PolarHBondContact O-N 3.26Å; E161-E164 PolarHBondContact O-N 3.07Å; E161-F165 WeakPolarHBondContact O-CB 3.5Å; E161-F165 PolarHBondContact O-N 3.3Å |
| 162 | E | 97.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.028 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 175.4 | -69.6 | -51.5 | 119.7 | 0 | 0 | 112.3 | R131 Y135 I139 G158 V159 L160 E164 F165 Y166 | R131-E162 WeakPolarHBondContact CB-OE2 3.34Å; R131-E162 IonicContact CZ-OE1 3.26Å; R131-E162 IonicContact NE-OE1 2.69Å; R131-E162 PolarHBondContact NE-OE1 2.92Å; R131-E162 IonicContact NE-OE2 3.28Å; R131-E162 PolarHBondContact NE-OE2 3.01Å; R131-E162 IonicContact NH2-OE1 3.17Å; R131-E162 PolarHBondContact NH2-OE1 3.16Å; Y135-E162 VanDerWaalsContact CB-CG 3.45Å; Y135-E162 HydrophobicContact CG-CG 4.47Å; I139-E162 HydrophobicContact CD1-CB 4.09Å; I139-E162 HydrophobicContact CG1-CB 4Å; G158-E162 PolarHBondContact O-N 3.03Å; V159-E162 PolarHBondContact O-N 2.97Å; L160-E162 VanDerWaalsContact C-N 3.34Å; L160-E162 PolarHBondContact O-N 2.99Å; E162-E164 PolarHBondContact O-N 3.33Å; E162-F165 PolarHBondContact O-N 3.46Å; E162-Y166 HydrophobicContact CB-CD2 4.26Å; E162-Y166 HydrophobicContact CB-CE2 4.01Å; E162-Y166 HydrophobicContact CG-CE2 4.49Å; E162-Y166 WeakPolarHBondContact O-CD2 3.07Å; E162-Y166 PolarHBondContact O-N 3.23Å; E162-Y166 WeakPolarHBondContact OE2-CE2 3.21Å; E162-Y166 PolarHBondContact OE2-OH 2.9Å |
| 163 | A | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -35.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I139 V159 L160 N167 I168 L171 V172 | I139-A163 HydrophobicContact CD1-CB 3.99Å; V159-A163 WeakPolarHBondContact O-CB 3.38Å; V159-A163 PolarHBondContact O-N 3.16Å; L160-A163 PolarHBondContact O-N 3.16Å; A163-N167 PolarHBondContact O-N 2.99Å; A163-I168 PolarHBondContact O-N 3.26Å; A163-L171 HydrophobicContact CB-CB 4.46Å; A163-L171 HydrophobicContact CB-CD2 4.02Å; A163-L171 HydrophobicContact CB-CG 3.9Å; A163-V172 HydrophobicContact CB-CG2 3.77Å; A163-V172 WeakPolarHBondContact O-CG2 3.39Å |
| 164 | E | 96.7 | Very high | 96 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.8 | -43.7 | 173.5 | -69.6 | -172.4 | 167.1 | 0 | 0 | 111.4 | L160 E161 E162 Y166 N167 V172 K176 | L160-E164 HydrophobicContact CD1-CG 4.36Å; L160-E164 WeakPolarHBondContact O-CG 3.46Å; L160-E164 PolarHBondContact O-N 3.26Å; E161-E164 PolarHBondContact O-N 3.07Å; E162-E164 PolarHBondContact O-N 3.33Å; E164-Y166 PolarHBondContact O-N 2.03Å; E164-N167 WeakPolarHBondContact O-CA 3.49Å; E164-N167 PolarHBondContact O-N 3.08Å; E164-V172 HydrophobicContact CB-CG2 4.47Å; E164-V172 HydrophobicContact CG-CG1 3.95Å; E164-V172 HydrophobicContact CG-CG2 3.7Å; E164-K176 VanDerWaalsContact OE1-CE 3.27Å; E164-K176 WeakPolarHBondContact OE1-CE 3.49Å; E164-K176 IonicContact OE1-NZ 3.56Å; E164-K176 PolarHBondContact OE1-NZ 3.21Å |
| 165 | F | 96.2 | Very high | 96.1 | Very high | 84 Ų | 84 | 43.8 Ų | 43.8 | 37% | 0.368 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 175.4 | 175.1 | -95.3 | 0 | 0 | 0 | 112.6 | I129 R131 E161 E162 N167 | I129-F165 HydrophobicContact CG2-CE1 4.47Å; R131-F165 HydrophobicContact CG-CD1 3.81Å; R131-F165 HydrophobicContact CG-CE1 3.49Å; R131-F165 VanDerWaalsContact CG-CE1 3.49Å; R131-F165 HydrophobicContact CG-CE2 4.39Å; R131-F165 HydrophobicContact CG-CG 4.41Å; R131-F165 HydrophobicContact CG-CZ 3.81Å; E161-F165 WeakPolarHBondContact O-CB 3.5Å; E161-F165 PolarHBondContact O-N 3.3Å; E162-F165 PolarHBondContact O-N 3.46Å; F165-N167 PolarHBondContact O-N 3Å |
| 166 | Y | 95.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -4.6 | 176.9 | -61.9 | -65.9 | 0 | 0 | 0 | 112.9 | S105 F106 L107 I129 F136 I139 E162 E164 | S105-Y166 CarbonylContact C-O 3.4Å; S105-Y166 WeakPolarHBondContact CA-O 3.15Å; S105-Y166 WeakPolarHBondContact CB-O 3.24Å; F106-Y166 HydrophobicContact CB-CD1 4.44Å; F106-Y166 AromaticContact CD1-CD1 3.98Å; F106-Y166 HydrophobicContact CD1-CD1 3.98Å; F106-Y166 HydrophobicContact CD1-CE1 4.31Å; F106-Y166 PolarHBondContact N-O 3.13Å; L107-Y166 HydrophobicContact CD1-CD1 4.04Å; L107-Y166 HydrophobicContact CD1-CG 4.23Å; L107-Y166 HydrophobicContact CD2-CD1 3.86Å; L107-Y166 HydrophobicContact CD2-CE1 4Å; L107-Y166 HydrophobicContact CG-CD1 3.73Å; L107-Y166 HydrophobicContact CG-CE1 4.37Å; L107-Y166 HydrophobicContact CG-CG 4.33Å; I129-Y166 HydrophobicContact CD1-CE1 4.48Å; I129-Y166 HydrophobicContact CG2-CE1 4.24Å; F136-Y166 HydrophobicContact CD2-CD2 4.47Å; F136-Y166 HydrophobicContact CD2-CE1 4.36Å; F136-Y166 AromaticContact CD2-CE2 3.59Å; F136-Y166 HydrophobicContact CD2-CE2 3.59Å; F136-Y166 AromaticContact CD2-CZ 3.53Å; F136-Y166 WeakPolarHBondContact CD2-OH 3.43Å; F136-Y166 HydrophobicContact CE2-CE1 4.06Å; F136-Y166 AromaticContact CE2-CE2 3.97Å; F136-Y166 HydrophobicContact CE2-CE2 3.97Å; F136-Y166 AromaticContact CE2-CZ 3.69Å; I139-Y166 HydrophobicContact CB-CD2 4.49Å; I139-Y166 HydrophobicContact CG1-CD2 4.28Å; I139-Y166 HydrophobicContact CG1-CE2 4.45Å; I139-Y166 HydrophobicContact CG2-CD2 3.85Å; I139-Y166 HydrophobicContact CG2-CG 4.43Å; E162-Y166 HydrophobicContact CB-CD2 4.26Å; E162-Y166 HydrophobicContact CB-CE2 4.01Å; E162-Y166 HydrophobicContact CG-CE2 4.49Å; E162-Y166 WeakPolarHBondContact O-CD2 3.07Å; E162-Y166 PolarHBondContact O-N 3.23Å; E162-Y166 WeakPolarHBondContact OE2-CE2 3.21Å; E162-Y166 PolarHBondContact OE2-OH 2.9Å; E164-Y166 PolarHBondContact O-N 2.03Å |
| 167 | N | 95.9 | Very high | 96.2 | Very high | 86 Ų | 86 | 49.3 Ų | 49.3 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 49.9 | 179.4 | -168 | 25.4 | 0 | 0 | 0 | 113.7 | K104 A163 E164 F165 | K104-N167 PolarHBondContact O-ND2 2.77Å; A163-N167 PolarHBondContact O-N 2.99Å; E164-N167 WeakPolarHBondContact O-CA 3.49Å; E164-N167 PolarHBondContact O-N 3.08Å; F165-N167 PolarHBondContact O-N 3Å |
| 168 | I | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -102.8 | 82.9 | 178 | -55.7 | 165.9 | 0 | 0 | 0 | 108.6 | I139 Y142 L143 A163 S170 L171 V172 | I139-I168 HydrophobicContact CG2-CD1 3.46Å; I139-I168 VanDerWaalsContact CG2-CD1 3.46Å; Y142-I168 HydrophobicContact CD1-CG2 4.08Å; Y142-I168 HydrophobicContact CE1-CG2 3.74Å; L143-I168 HydrophobicContact CD1-CD1 4.16Å; L143-I168 HydrophobicContact CD2-CD1 4.03Å; L143-I168 HydrophobicContact CG-CD1 4.22Å; A163-I168 PolarHBondContact O-N 3.26Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 3.33Å; I168-S170 VanDerWaalsContact O-N 3.15Å; I168-L171 HydrophobicContact CB-CB 4Å; I168-L171 HydrophobicContact CD1-CD2 4.38Å; I168-L171 HydrophobicContact CG2-CB 3.55Å; I168-L171 HydrophobicContact CG2-CD2 4.43Å; I168-L171 WeakPolarHBondContact O-CB 3.42Å; I168-L171 PolarHBondContact O-N 3.16Å; I168-V172 WeakPolarHBondContact O-CG2 3.44Å; I168-V172 PolarHBondContact O-N 2.98Å | ||
| 169 | A | 95.2 | Very high | 95.9 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 54% | 0.537 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.5 | -37 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114 | L171 R173 | A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 2.88Å; A169-R173 PolarHBondContact O-N 3.1Å; A169-R173 VanDerWaalsContact O-N 3.14Å |
| 170 | S | 95.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.1 | -34.8 | 178.1 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | Y142 I168 L174 | Y142-S170 VanDerWaalsContact OH-CB 3.26Å; Y142-S170 WeakPolarHBondContact OH-CB 3.08Å; Y142-S170 PolarHBondContact OH-OG 2.74Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 3.33Å; I168-S170 VanDerWaalsContact O-N 3.15Å; S170-L174 WeakPolarHBondContact O-CG 3Å; S170-L174 PolarHBondContact O-N 3.18Å |
| 171 | L | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.4 | -45 | 176.4 | 179.6 | 56 | 0 | 0 | 0 | 111.1 | I139 Y142 L148 A163 I168 A169 R173 L174 V175 | I139-L171 HydrophobicContact CB-CD2 4.4Å; I139-L171 HydrophobicContact CD1-CD2 3.52Å; I139-L171 HydrophobicContact CG2-CD2 4.05Å; Y142-L171 HydrophobicContact CD1-CB 3.88Å; Y142-L171 HydrophobicContact CD1-CD1 4.2Å; Y142-L171 HydrophobicContact CD1-CD2 3.92Å; Y142-L171 HydrophobicContact CD1-CG 4.24Å; Y142-L171 HydrophobicContact CD2-CD1 3.79Å; Y142-L171 HydrophobicContact CE1-CB 3.8Å; Y142-L171 HydrophobicContact CE2-CD1 4.27Å; Y142-L171 HydrophobicContact CG-CB 4.3Å; Y142-L171 HydrophobicContact CG-CD1 3.74Å; Y142-L171 HydrophobicContact CG-CD2 4.02Å; Y142-L171 HydrophobicContact CG-CG 4.25Å; L148-L171 HydrophobicContact CD1-CD1 3.77Å; A163-L171 HydrophobicContact CB-CB 4.46Å; A163-L171 HydrophobicContact CB-CD2 4.02Å; A163-L171 HydrophobicContact CB-CG 3.9Å; I168-L171 HydrophobicContact CB-CB 4Å; I168-L171 HydrophobicContact CD1-CD2 4.38Å; I168-L171 HydrophobicContact CG2-CB 3.55Å; I168-L171 HydrophobicContact CG2-CD2 4.43Å; I168-L171 WeakPolarHBondContact O-CB 3.42Å; I168-L171 PolarHBondContact O-N 3.16Å; A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 2.88Å; L171-R173 PolarHBondContact O-N 3.4Å; L171-L174 WeakPolarHBondContact O-CB 3.48Å; L171-L174 PolarHBondContact O-N 2.97Å; L171-V175 HydrophobicContact CD1-CG2 4.04Å; L171-V175 HydrophobicContact CG-CG2 4.35Å; L171-V175 WeakPolarHBondContact O-CG2 3.24Å; L171-V175 PolarHBondContact O-N 3.25Å |
| 172 | V | 96.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -51.2 | -46.7 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L160 A163 E164 I168 L174 V175 K176 | L160-V172 HydrophobicContact CD1-CG1 3.98Å; A163-V172 HydrophobicContact CB-CG2 3.77Å; A163-V172 WeakPolarHBondContact O-CG2 3.39Å; E164-V172 HydrophobicContact CB-CG2 4.47Å; E164-V172 HydrophobicContact CG-CG1 3.95Å; E164-V172 HydrophobicContact CG-CG2 3.7Å; I168-V172 WeakPolarHBondContact O-CG2 3.44Å; I168-V172 PolarHBondContact O-N 2.98Å; V172-L174 PolarHBondContact O-N 3.32Å; V172-V175 PolarHBondContact O-N 3.42Å; V172-K176 HydrophobicContact CG1-CD 4.18Å; V172-K176 WeakPolarHBondContact O-CG 3.38Å; V172-K176 PolarHBondContact O-N 3.42Å |
| 173 | R | 96.4 | Very high | 94.1 | Very high | 152 Ų | 152 | 63.6 Ų | 63.6 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | 177 | -172.3 | -179.2 | 64.4 | 76.1 | -0.1 | 112.4 | A169 L171 K176 E177 | A169-R173 PolarHBondContact O-N 3.1Å; A169-R173 VanDerWaalsContact O-N 3.14Å; L171-R173 PolarHBondContact O-N 3.4Å; R173-K176 PolarHBondContact O-N 3.44Å; R173-E177 IonicContact NH1-OE2 2.67Å; R173-E177 WeakPolarHBondContact O-CB 3.47Å; R173-E177 PolarHBondContact O-N 3.32Å |
| 174 | L | 96.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 67.7 Ų | 67.7 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | -179.6 | -69.8 | 171 | 0 | 0 | 0 | 112.1 | Y142 L148 S170 L171 V172 R178 | Y142-L174 HydrophobicContact CD2-CD1 4.47Å; Y142-L174 HydrophobicContact CE2-CD1 3.61Å; L148-L174 HydrophobicContact CD2-CB 4.02Å; S170-L174 WeakPolarHBondContact O-CG 3Å; S170-L174 PolarHBondContact O-N 3.18Å; L171-L174 WeakPolarHBondContact O-CB 3.48Å; L171-L174 PolarHBondContact O-N 2.97Å; V172-L174 PolarHBondContact O-N 3.32Å; L174-R178 WeakPolarHBondContact O-CB 3.2Å; L174-R178 PolarHBondContact O-N 3.08Å |
| 175 | V | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | L148 E156 V159 L160 L171 V172 E177 R178 I179 | L148-V175 HydrophobicContact CD1-CG2 4.07Å; L148-V175 HydrophobicContact CD2-CB 4.49Å; L148-V175 HydrophobicContact CD2-CG2 3.8Å; E156-V175 WeakPolarHBondContact O-CG1 3.46Å; V159-V175 HydrophobicContact CG1-CG2 4.19Å; L160-V175 HydrophobicContact CB-CG1 3.77Å; L160-V175 HydrophobicContact CD1-CB 4.25Å; L160-V175 HydrophobicContact CD1-CG1 4.21Å; L171-V175 HydrophobicContact CD1-CG2 4.04Å; L171-V175 HydrophobicContact CG-CG2 4.35Å; L171-V175 WeakPolarHBondContact O-CG2 3.24Å; L171-V175 PolarHBondContact O-N 3.25Å; V172-V175 PolarHBondContact O-N 3.42Å; V175-E177 VanDerWaalsContact C-N 3.33Å; V175-E177 PolarHBondContact O-N 2.97Å; V175-R178 WeakPolarHBondContact O-CB 3.48Å; V175-R178 PolarHBondContact O-N 3.38Å; V175-R178 VanDerWaalsContact O-N 3.16Å; V175-I179 HydrophobicContact CG1-CD1 3.96Å; V175-I179 HydrophobicContact CG1-CG1 4.45Å; V175-I179 WeakPolarHBondContact O-CG1 3.42Å; V175-I179 PolarHBondContact O-N 3.26Å |
| 176 | K | 95.6 | Very high | 91.4 | Very high | 102 Ų | 102 | 74.4 Ų | 74.4 | 44% | 0.443 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.3 | -71.8 | -177 | -175.2 | -179.2 | 0 | 112.6 | L160 E164 V172 R173 R178 R180 | L160-K176 HydrophobicContact CD1-CD 4.43Å; L160-K176 HydrophobicContact CD1-CG 3.81Å; L160-K176 HydrophobicContact CD2-CG 4.1Å; E164-K176 VanDerWaalsContact OE1-CE 3.27Å; E164-K176 WeakPolarHBondContact OE1-CE 3.49Å; E164-K176 IonicContact OE1-NZ 3.56Å; E164-K176 PolarHBondContact OE1-NZ 3.21Å; V172-K176 HydrophobicContact CG1-CD 4.18Å; V172-K176 WeakPolarHBondContact O-CG 3.38Å; V172-K176 PolarHBondContact O-N 3.42Å; R173-K176 PolarHBondContact O-N 3.44Å; K176-R178 VanDerWaalsContact C-N 3.35Å; K176-R180 PolarHBondContact O-N 3.25Å; K176-R180 VanDerWaalsContact O-N 3.14Å |
| 177 | E | 94.4 | Very high | 90.1 | Very high | 77 Ų | 77 | 78.5 Ų | 78.5 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 175 | -178 | 168.4 | -154.8 | 0 | 0 | 111.4 | R173 V175 R180 D181 | R173-E177 IonicContact NH1-OE2 2.67Å; R173-E177 WeakPolarHBondContact O-CB 3.47Å; R173-E177 PolarHBondContact O-N 3.32Å; V175-E177 VanDerWaalsContact C-N 3.33Å; V175-E177 PolarHBondContact O-N 2.97Å; E177-R180 PolarHBondContact O-N 2.9Å; E177-D181 VanDerWaalsContact O-CG 3.31Å; E177-D181 PolarHBondContact O-N 2.88Å |
| 178 | R | 92.1 | Very high | 88.7 | Confident | 133 Ų | 133 | 80.3 Ų | 80.3 | 50% | 0.502 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 177.3 | 178.9 | 63.5 | -178.8 | -171.4 | -0 | 112.8 | L148 M150 E156 L174 V175 K176 R180 D181 N182 | L148-R178 HydrophobicContact CD2-CB 4.41Å; M150-R178 HydrophobicContact CE-CG 4.34Å; E156-R178 VanDerWaalsContact OE1-CG 3.23Å; E156-R178 WeakPolarHBondContact OE1-CG 3.46Å; E156-R178 IonicContact OE1-NE 2.78Å; E156-R178 PolarHBondContact OE1-NE 3.08Å; L174-R178 WeakPolarHBondContact O-CB 3.2Å; L174-R178 PolarHBondContact O-N 3.08Å; V175-R178 WeakPolarHBondContact O-CB 3.48Å; V175-R178 PolarHBondContact O-N 3.38Å; V175-R178 VanDerWaalsContact O-N 3.16Å; K176-R178 VanDerWaalsContact C-N 3.35Å; R178-R180 PolarHBondContact O-N 3.47Å; R178-D181 PolarHBondContact O-N 3.17Å; R178-N182 WeakPolarHBondContact O-CB 3.07Å; R178-N182 PolarHBondContact O-N 3.08Å |
| 179 | I | 92.6 | Very high | 87.3 | Confident | 36 Ų | 36 | 82.7 Ų | 82.7 | 19% | 0.185 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.3 | -48 | 178.1 | -69.3 | 167.1 | 0 | 0 | 0 | 110.2 | E156 L160 V175 D181 N182 E183 | E156-I179 HydrophobicContact CB-CD1 4.11Å; E156-I179 HydrophobicContact CB-CG1 3.6Å; E156-I179 WeakPolarHBondContact OE2-CA 3.2Å; E156-I179 WeakPolarHBondContact OE2-CG1 3.47Å; L160-I179 HydrophobicContact CB-CD1 4.4Å; L160-I179 HydrophobicContact CD2-CD1 4.04Å; V175-I179 HydrophobicContact CG1-CD1 3.96Å; V175-I179 HydrophobicContact CG1-CG1 4.45Å; V175-I179 WeakPolarHBondContact O-CG1 3.42Å; V175-I179 PolarHBondContact O-N 3.26Å; I179-D181 VanDerWaalsContact C-N 3.34Å; I179-D181 PolarHBondContact O-N 3.42Å; I179-N182 PolarHBondContact O-N 3.41Å; I179-E183 PolarHBondContact O-N 3.11Å |
| 180 | R | 90.8 | Very high | 86.1 | Confident | 137 Ų | 137 | 85.5 Ų | 85.5 | 52% | 0.517 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 178.4 | -176.3 | -175.2 | 64.5 | 174.6 | -3 | 112.4 | K176 E177 R178 N182 E183 N184 | K176-R180 PolarHBondContact O-N 3.25Å; K176-R180 VanDerWaalsContact O-N 3.14Å; E177-R180 PolarHBondContact O-N 2.9Å; R178-R180 PolarHBondContact O-N 3.47Å; R180-N182 VanDerWaalsContact C-N 3.32Å; R180-E183 PolarHBondContact O-N 3.19Å; R180-N184 WeakPolarHBondContact O-CB 3.49Å; R180-N184 VanDerWaalsContact O-CG 3.23Å; R180-N184 PolarHBondContact O-N 3.33Å; R180-N184 PolarHBondContact O-ND2 2.92Å |
| 181 | D | 88.5 | Confident | 85.3 | Confident | 72 Ų | 72 | 87.1 Ų | 87.1 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 178.1 | -72.3 | -8.7 | 0 | 0 | 0 | 111.9 | E177 R178 I179 R185 | E177-D181 VanDerWaalsContact O-CG 3.31Å; E177-D181 PolarHBondContact O-N 2.88Å; R178-D181 PolarHBondContact O-N 3.17Å; I179-D181 VanDerWaalsContact C-N 3.34Å; I179-D181 PolarHBondContact O-N 3.42Å; D181-R185 WeakPolarHBondContact O-CB 3.3Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.66Å |
| 182 | N | 87 | Confident | 84.7 | Confident | 77 Ų | 77 | 92.9 Ų | 92.9 | 41% | 0.412 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 175.5 | -169.3 | 46.6 | 0 | 0 | 0 | 111.9 | R178 I179 R180 R185 T186 | R178-N182 WeakPolarHBondContact O-CB 3.07Å; R178-N182 PolarHBondContact O-N 3.08Å; I179-N182 PolarHBondContact O-N 3.41Å; R180-N182 VanDerWaalsContact C-N 3.32Å; N182-R185 PolarHBondContact O-N 3.22Å; N182-T186 WeakPolarHBondContact O-CB 3.37Å; N182-T186 PolarHBondContact O-N 3.48Å; N182-T186 PolarHBondContact O-OG1 3.24Å |
| 183 | E | 85.2 | Confident | 84.4 | Confident | 120 Ų | 120 | 95.5 Ų | 95.5 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.4 | -50.2 | 172.1 | -171.6 | -179.2 | -176.4 | 0 | 0 | 110.2 | I179 R180 R185 T186 S187 | I179-E183 PolarHBondContact O-N 3.11Å; R180-E183 PolarHBondContact O-N 3.19Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3.5Å; E183-T186 CarbonylContact O-C 3.59Å; E183-T186 PolarHBondContact O-N 3.05Å; E183-S187 WeakPolarHBondContact O-CB 3.42Å; E183-S187 PolarHBondContact O-N 3.37Å; E183-S187 PolarHBondContact O-OG 2.97Å |
| 184 | N | 81.8 | Confident | 84.2 | Confident | 85 Ų | 85 | 90.7 Ų | 90.7 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.4 | -38.9 | 177 | -75.9 | -21.9 | 0 | 0 | 0 | 113.1 | R180 Q188 | R180-N184 WeakPolarHBondContact O-CB 3.49Å; R180-N184 VanDerWaalsContact O-CG 3.23Å; R180-N184 PolarHBondContact O-N 3.33Å; R180-N184 PolarHBondContact O-ND2 2.92Å; N184-Q188 WeakPolarHBondContact O-CG 3.41Å; N184-Q188 PolarHBondContact O-N 3.29Å |
| 185 | R | 77.9 | Confident | 84.2 | Confident | 200 Ų | 200 | 94.9 Ų | 94.9 | 76% | 0.755 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.7 | -38.4 | 175.5 | -81.7 | 179.6 | 153.8 | -84.9 | -4 | 112.4 | D181 N182 E183 | D181-R185 WeakPolarHBondContact O-CB 3.3Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.66Å; N182-R185 PolarHBondContact O-N 3.22Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3.5Å |
| 186 | T | 73.6 | Confident | 84.1 | Confident | 107 Ų | 107 | 101.5 Ų | 101.5 | 66% | 0.656 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.1 | -35.6 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | N182 E183 | N182-T186 WeakPolarHBondContact O-CB 3.37Å; N182-T186 PolarHBondContact O-N 3.48Å; N182-T186 PolarHBondContact O-OG1 3.24Å; E183-T186 CarbonylContact O-C 3.59Å; E183-T186 PolarHBondContact O-N 3.05Å |
| 187 | S | 68.6 | Low | 84.1 | Confident | 85 Ų | 85 | 101 Ų | 101 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -80.8 | -14.2 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 113.7 | E183 G189 | E183-S187 WeakPolarHBondContact O-CB 3.42Å; E183-S187 PolarHBondContact O-N 3.37Å; E183-S187 PolarHBondContact O-OG 2.97Å; S187-G189 PolarHBondContact O-N 3.34Å |
| 188 | Q | 66.6 | Low | 84 | Confident | 124 Ų | 124 | 100.2 Ų | 100.2 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | trans | -68.8 | 88.5 | 164.6 | -82.5 | -173.1 | 7.3 | 0 | 0 | 108.6 | N184 | N184-Q188 WeakPolarHBondContact O-CG 3.41Å; N184-Q188 PolarHBondContact O-N 3.29Å | ||
| 189 | G | 65.3 | Low | 84 | Confident | 50 Ų | 50 | 99.9 Ų | 99.9 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | trans | -57.5 | 177.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S187 V191 | S187-G189 PolarHBondContact O-N 3.34Å; G189-V191 PolarHBondContact O-N 3.05Å | ||
| 190 | P | 70.5 | Confident | 83.8 | Confident | 124 Ų | 124 | 98.5 Ų | 98.5 | 81% | 0.805 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -53.4 | 140.3 | -179.5 | 22.6 | -32.8 | 0 | 0 | 0 | 111.1 | K192 | P190-K192 PolarHBondContact O-N 3.43Å; P190-K192 VanDerWaalsContact O-N 3.1Å |
| 191 | V | 78.2 | Confident | 83.7 | Confident | 81 Ų | 81 | 94.5 Ų | 94.5 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 119.2 | -179.3 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | G189 H193 E245 | G189-V191 PolarHBondContact O-N 3.05Å; V191-H193 PolarHBondContact O-ND1 2.93Å; V191-E245 HydrophobicContact CG1-CB 3.91Å; V191-E245 HydrophobicContact CG1-CG 3.95Å |
| 192 | K | 84.8 | Confident | 83.7 | Confident | 120 Ų | 120 | 96.5 Ų | 96.5 | 52% | 0.522 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136 | 178.4 | -68 | 176.1 | -175.4 | 164.9 | 0 | 108 | P190 L246 N248 | P190-K192 PolarHBondContact O-N 3.43Å; P190-K192 VanDerWaalsContact O-N 3.1Å; K192-L246 HydrophobicContact CB-CB 4.01Å; K192-L246 HydrophobicContact CB-CD1 4.26Å; K192-L246 WeakPolarHBondContact O-CB 3.07Å; K192-L246 PolarHBondContact O-N 3.27Å; K192-N248 PolarHBondContact NZ-OD1 3.5Å; K192-N248 VanDerWaalsContact NZ-OD1 3.13Å |
| 193 | H | 90.1 | Very high | 83.8 | Confident | 76 Ų | 76 | 99.4 Ų | 99.4 | 35% | 0.352 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.3 | 175 | -70.7 | 68.3 | 0 | 0 | 0 | 109.4 | V191 Y195 R244 E245 | V191-H193 PolarHBondContact O-ND1 2.93Å; H193-Y195 HydrophobicContact CB-CD2 4.44Å; H193-Y195 HydrophobicContact CB-CE2 3.66Å; H193-R244 WeakPolarHBondContact CA-O 3.48Å; H193-E245 VanDerWaalsContact NE2-CG 3.3Å; H193-E245 WeakPolarHBondContact NE2-CG 3.42Å |
| 194 | V | 93.3 | Very high | 84.1 | Confident | 51 Ų | 51 | 98.4 Ų | 98.4 | 31% | 0.309 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.5 | 168.9 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | W216 S243 R244 L246 | V194-W216 HydrophobicContact CG1-CH2 4.17Å; V194-S243 CarbonylContact O-C 3.52Å; V194-S243 VanDerWaalsContact O-CA 3.24Å; V194-S243 WeakPolarHBondContact O-CA 3.48Å; V194-R244 PolarHBondContact N-O 2.68Å; V194-R244 PolarHBondContact O-N 2.86Å; V194-L246 HydrophobicContact CG2-CD1 3.25Å; V194-L246 HydrophobicContact CG2-CD2 4.47Å; V194-L246 HydrophobicContact CG2-CG 3.7Å |
| 195 | Y | 95 | Very high | 84.4 | Confident | 136 Ų | 136 | 95.8 Ų | 95.8 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144 | 176.4 | -63.2 | -91.5 | 0 | 0 | 0 | 110.7 | H193 E219 V241 V242 | H193-Y195 HydrophobicContact CB-CD2 4.44Å; H193-Y195 HydrophobicContact CB-CE2 3.66Å; Y195-E219 HydrophobicContact CD1-CG 4.47Å; Y195-E219 HydrophobicContact CE1-CG 4.16Å; Y195-V241 HydrophobicContact CD1-CG1 4.28Å; Y195-V242 CarbonylContact C-O 3.58Å; Y195-V242 VanDerWaalsContact CA-O 3.28Å; Y195-V242 WeakPolarHBondContact CA-O 3.21Å |
| 196 | R | 94.6 | Very high | 85 | Confident | 139 Ų | 139 | 91.3 Ų | 91.3 | 53% | 0.525 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.2 | 166.7 | -75.4 | -177.2 | 170.2 | 169.8 | -12.5 | 109.5 | W216 V241 V242 | R196-W216 HydrophobicContact CB-CH2 4.15Å; R196-W216 HydrophobicContact CB-CZ3 3.85Å; R196-W216 HydrophobicContact CG-CH2 3.47Å; R196-W216 VanDerWaalsContact CG-CH2 3.47Å; R196-W216 HydrophobicContact CG-CZ2 4.4Å; R196-W216 HydrophobicContact CG-CZ3 3.69Å; R196-V241 WeakPolarHBondContact O-CA 3.48Å; R196-V242 HydrophobicContact CB-CG2 3.73Å; R196-V242 PolarHBondContact N-O 3.26Å; R196-V242 WeakPolarHBondContact O-CG2 3.32Å; R196-V242 PolarHBondContact O-N 3.4Å |
| 197 | V | 94.7 | Very high | 85.7 | Confident | 90 Ų | 90 | 92.5 Ų | 92.5 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.8 | 171.6 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | L239 C240 V241 | V197-L239 HydrophobicContact CG1-CB 3.82Å; V197-L239 HydrophobicContact CG1-CD1 4.35Å; V197-L239 HydrophobicContact CG1-CD2 4.04Å; V197-L239 HydrophobicContact CG1-CG 4.27Å; V197-C240 WeakPolarHBondContact CA-O 3.4Å; V197-V241 HydrophobicContact CG2-CG2 4.44Å |
| 198 | L | 93.1 | Very high | 86.7 | Confident | 62 Ų | 62 | 90 Ų | 90 | 33% | 0.325 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.6 | 178.8 | -55.4 | 177.1 | 0 | 0 | 0 | 107.9 | M208 L239 C240 V242 | L198-M208 HydrophobicContact CB-SD 3.81Å; L198-M208 HydrophobicContact CD1-SD 4.17Å; L198-L239 WeakPolarHBondContact O-CA 3.07Å; L198-C240 HydrophobicContact CB-CB 4.38Å; L198-C240 PolarHBondContact N-O 2.95Å; L198-C240 PolarHBondContact O-N 3.3Å; L198-V242 HydrophobicContact CD1-CG1 4.4Å; L198-V242 HydrophobicContact CD1-CG2 4.25Å; L198-V242 HydrophobicContact CG-CG2 4.41Å |
| 199 | Q | 91.6 | Very high | 87.7 | Confident | 125 Ų | 125 | 87 Ų | 87 | 58% | 0.584 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.4 | 173.9 | -173.2 | 177.6 | 2.1 | 0 | 0 | 108.8 | E237 F238 L239 | Q199-E237 PolarHBondContact NE2-OE2 2.89Å; Q199-F238 WeakPolarHBondContact CA-O 3.39Å; Q199-L239 HydrophobicContact CB-CD2 4Å; Q199-L239 HydrophobicContact CG-CD2 4.11Å |
| 200 | C | 89.1 | Confident | 88.8 | Confident | 7 Ų | 7 | 89 Ų | 89 | 5% | 0.047 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 155.2 | 177 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | M208 F238 | C200-M208 HydrophobicContact CB-CE 4.36Å; C200-M208 HydrophobicContact CB-SD 3.77Å; C200-M208 VanDerWaalsContact SG-CE 3.52Å; C200-M208 VanDerWaalsContact SG-SD 3.7Å; C200-F238 PolarHBondContact N-O 3.06Å; C200-F238 PolarHBondContact O-N 2.69Å |
| 201 | Q | 89.4 | Confident | 89.8 | Confident | 53 Ų | 53 | 87.8 Ų | 87.8 | 25% | 0.248 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 159 | 169.4 | -62.6 | -177.4 | -3.2 | 0 | 0 | 110.4 | E203 E204 L205 Q235 | Q201-E203 HydrophobicContact CB-CG 4.17Å; Q201-E203 PolarHBondContact O-N 2.89Å; Q201-E204 PolarHBondContact O-N 3.23Å; Q201-L205 PolarHBondContact O-N 2.95Å; Q201-L205 VanDerWaalsContact O-N 3.13Å; Q201-Q235 VanDerWaalsContact CD-OE1 3.27Å |
| 202 | E | 87.8 | Confident | 90.4 | Very high | 115 Ų | 115 | 86 Ų | 86 | 54% | 0.537 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -50.6 | -43.4 | 178.8 | -168.7 | 172.6 | 174.6 | 0 | 0 | 113 | E204 L205 A236 F238 | E202-E204 VanDerWaalsContact C-N 3.29Å; E202-E204 PolarHBondContact O-N 3.44Å; E202-L205 WeakPolarHBondContact O-CB 3.37Å; E202-L205 PolarHBondContact O-N 3.1Å; E202-A236 HydrophobicContact CB-CB 4.3Å; E202-A236 PolarHBondContact N-O 2.96Å; E202-F238 HydrophobicContact CB-CD2 4.44Å; E202-F238 HydrophobicContact CB-CE2 3.8Å; E202-F238 HydrophobicContact CG-CE2 3.95Å |
| 203 | E | 89.8 | Confident | 90.4 | Very high | 137 Ų | 137 | 84.1 Ų | 84.1 | 64% | 0.64 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.3 | -26.5 | -178.3 | 58.4 | -162.7 | -121.7 | 0 | 0 | 113.9 | Q201 | Q201-E203 HydrophobicContact CB-CG 4.17Å; Q201-E203 PolarHBondContact O-N 2.89Å |
| 204 | E | 89.7 | Confident | 90.2 | Very high | 100 Ų | 100 | 88.4 Ų | 88.4 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -95.6 | -13.3 | -179.6 | -59.3 | -171.5 | 149.9 | 0 | 0 | 112.9 | Q201 E202 T206 Q207 M208 | Q201-E204 PolarHBondContact O-N 3.23Å; E202-E204 VanDerWaalsContact C-N 3.29Å; E202-E204 PolarHBondContact O-N 3.44Å; E204-T206 PolarHBondContact O-N 3.48Å; E204-Q207 PolarHBondContact O-N 3.42Å; E204-Q207 VanDerWaalsContact O-N 3.12Å; E204-M208 PolarHBondContact O-N 3.26Å |
| 205 | L | 88.3 | Confident | 89.9 | Confident | 30 Ų | 30 | 88 Ų | 88 | 16% | 0.157 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -54.9 | -49.6 | -172.3 | 177.1 | 62.2 | 0 | 0 | 0 | 112.6 | Q201 E202 Q207 M208 V209 L221 | Q201-L205 PolarHBondContact O-N 2.95Å; Q201-L205 VanDerWaalsContact O-N 3.13Å; E202-L205 WeakPolarHBondContact O-CB 3.37Å; E202-L205 PolarHBondContact O-N 3.1Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.4Å; L205-M208 HydrophobicContact CD1-CE 3.79Å; L205-M208 PolarHBondContact O-N 3.28Å; L205-V209 HydrophobicContact CD1-CG2 4.18Å; L205-V209 WeakPolarHBondContact O-CG2 2.99Å; L205-V209 PolarHBondContact O-N 3.27Å; L205-L221 HydrophobicContact CD1-CD1 3.61Å; L205-L221 HydrophobicContact CD1-CD2 4.2Å; L205-L221 HydrophobicContact CD2-CD2 3.64Å |
| 206 | T | 90.4 | Very high | 89.8 | Confident | 106 Ų | 106 | 82.9 Ų | 82.9 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | -179 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | E204 S210 | E204-T206 PolarHBondContact O-N 3.48Å; T206-S210 VanDerWaalsContact O-CB 3.24Å; T206-S210 WeakPolarHBondContact O-CB 3.41Å; T206-S210 PolarHBondContact O-N 3.37Å; T206-S210 PolarHBondContact O-OG 2.92Å |
| 207 | Q | 89.9 | Confident | 89.7 | Confident | 132 Ų | 132 | 81.3 Ų | 81.3 | 62% | 0.617 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.5 | -43.9 | 178.7 | -174.8 | 177.1 | 14.3 | 0 | 0 | 111.2 | E204 L205 S210 T211 | E204-Q207 PolarHBondContact O-N 3.42Å; E204-Q207 VanDerWaalsContact O-N 3.12Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.4Å; Q207-S210 PolarHBondContact O-N 3.25Å; Q207-T211 HydrophobicContact CG-CG2 4.34Å; Q207-T211 WeakPolarHBondContact O-CB 3.44Å; Q207-T211 WeakPolarHBondContact O-CG2 3.31Å; Q207-T211 PolarHBondContact O-N 2.84Å; Q207-T211 PolarHBondContact O-OG1 2.96Å |
| 208 | M | 89.4 | Confident | 89.6 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 16% | 0.158 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 178.4 | 178.8 | -159 | 65.1 | 0 | 0 | 111.6 | L198 C200 E204 L205 S210 T211 M212 C240 | L198-M208 HydrophobicContact CB-SD 3.81Å; L198-M208 HydrophobicContact CD1-SD 4.17Å; C200-M208 HydrophobicContact CB-CE 4.36Å; C200-M208 HydrophobicContact CB-SD 3.77Å; C200-M208 VanDerWaalsContact SG-CE 3.52Å; C200-M208 VanDerWaalsContact SG-SD 3.7Å; E204-M208 PolarHBondContact O-N 3.26Å; L205-M208 HydrophobicContact CD1-CE 3.79Å; L205-M208 PolarHBondContact O-N 3.28Å; M208-S210 PolarHBondContact O-N 3.34Å; M208-T211 PolarHBondContact O-N 2.63Å; M208-M212 PolarHBondContact O-N 2.84Å; M208-M212 VanDerWaalsContact O-N 3.15Å; M208-C240 HydrophobicContact CE-CB 3.41Å; M208-C240 VanDerWaalsContact CE-CB 3.41Å; M208-C240 HydrophobicContact SD-CB 4.25Å |
| 209 | V | 87.8 | Confident | 89.6 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 111 | L205 T211 M212 | L205-V209 HydrophobicContact CD1-CG2 4.18Å; L205-V209 WeakPolarHBondContact O-CG2 2.99Å; L205-V209 PolarHBondContact O-N 3.27Å; V209-T211 VanDerWaalsContact C-N 3.35Å; V209-T211 PolarHBondContact O-N 3Å; V209-M212 WeakPolarHBondContact O-CB 3.34Å; V209-M212 PolarHBondContact O-N 3.38Å |
| 210 | S | 88.6 | Confident | 89.8 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -71.9 | -26.9 | -178.4 | -57.1 | 0 | 0 | 0 | 0 | 113.7 | T206 Q207 M208 | T206-S210 VanDerWaalsContact O-CB 3.24Å; T206-S210 WeakPolarHBondContact O-CB 3.41Å; T206-S210 PolarHBondContact O-N 3.37Å; T206-S210 PolarHBondContact O-OG 2.92Å; Q207-S210 PolarHBondContact O-N 3.25Å; M208-S210 PolarHBondContact O-N 3.34Å |
| 211 | T | 90.6 | Very high | 90 | Very high | 99 Ų | 99 | 85.1 Ų | 85.1 | 61% | 0.607 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 7.4 | 179.6 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | Q207 M208 V209 S213 | Q207-T211 HydrophobicContact CG-CG2 4.34Å; Q207-T211 WeakPolarHBondContact O-CB 3.44Å; Q207-T211 WeakPolarHBondContact O-CG2 3.31Å; Q207-T211 PolarHBondContact O-N 2.84Å; Q207-T211 PolarHBondContact O-OG1 2.96Å; M208-T211 PolarHBondContact O-N 2.63Å; V209-T211 VanDerWaalsContact C-N 3.35Å; V209-T211 PolarHBondContact O-N 3Å; T211-S213 PolarHBondContact O-N 2.79Å |
| 212 | M | 90.1 | Very high | 90.3 | Very high | 43 Ų | 43 | 85.8 Ų | 85.8 | 21% | 0.212 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 130.4 | 176.6 | -167 | -177.9 | -57.7 | 0 | 0 | 110.2 | M208 V209 W216 F218 V242 | M208-M212 PolarHBondContact O-N 2.84Å; M208-M212 VanDerWaalsContact O-N 3.15Å; V209-M212 WeakPolarHBondContact O-CB 3.34Å; V209-M212 PolarHBondContact O-N 3.38Å; M212-W216 HydrophobicContact CG-CB 3.68Å; M212-W216 HydrophobicContact CG-CG 4.48Å; M212-W216 HydrophobicContact SD-CB 3.45Å; M212-W216 WeakPolarHBondContact SD-CB 3.31Å; M212-F218 HydrophobicContact CE-CB 4.44Å; M212-V242 HydrophobicContact CE-CB 4.43Å; M212-V242 HydrophobicContact CE-CG1 3.36Å; M212-V242 HydrophobicContact SD-CB 4.28Å; M212-V242 HydrophobicContact SD-CG1 3.81Å |
| 213 | S | 85 | Confident | 90.3 | Very high | 81 Ų | 81 | 83.7 Ų | 83.7 | 57% | 0.566 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 148.3 | -179.2 | -19.8 | 0 | 0 | 0 | 0 | 111.8 | T211 W216 | T211-S213 PolarHBondContact O-N 2.79Å; S213-W216 PolarHBondContact O-N 2.98Å |
| 214 | D | 85.3 | Confident | 90.1 | Very high | 165 Ų | 165 | 80.6 Ų | 80.6 | 88% | 0.882 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 141.7 | 177.7 | -168.6 | 18.3 | 0 | 0 | 0 | 112.3 | W216 | D214-W216 VanDerWaalsContact C-N 3.32Å; D214-W216 PolarHBondContact O-N 2.7Å |
| 215 | G | 87.8 | Confident | 89.1 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 43% | 0.433 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -6.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R244 | G215-R244 VanDerWaalsContact O-CG 3.24Å; G215-R244 WeakPolarHBondContact O-CG 3.3Å |
| 216 | W | 92.7 | Very high | 88 | Confident | 30 Ų | 30 | 80 Ų | 80 | 11% | 0.114 | 46% | 0.458 | C | S | . | . | trans | -86.2 | 133.8 | 169 | -69.4 | 86.9 | 0 | 0 | 0 | 110.5 | V194 R196 M212 S213 D214 V242 S243 R244 | V194-W216 HydrophobicContact CG1-CH2 4.17Å; R196-W216 HydrophobicContact CB-CH2 4.15Å; R196-W216 HydrophobicContact CB-CZ3 3.85Å; R196-W216 HydrophobicContact CG-CH2 3.47Å; R196-W216 VanDerWaalsContact CG-CH2 3.47Å; R196-W216 HydrophobicContact CG-CZ2 4.4Å; R196-W216 HydrophobicContact CG-CZ3 3.69Å; M212-W216 HydrophobicContact CG-CB 3.68Å; M212-W216 HydrophobicContact CG-CG 4.48Å; M212-W216 HydrophobicContact SD-CB 3.45Å; M212-W216 WeakPolarHBondContact SD-CB 3.31Å; S213-W216 PolarHBondContact O-N 2.98Å; D214-W216 VanDerWaalsContact C-N 3.32Å; D214-W216 PolarHBondContact O-N 2.7Å; W216-V242 HydrophobicContact CD2-CG2 4.34Å; W216-V242 HydrophobicContact CE3-CB 4.02Å; W216-V242 HydrophobicContact CE3-CG2 3.47Å; W216-V242 VanDerWaalsContact CE3-CG2 3.47Å; W216-V242 HydrophobicContact CZ3-CG2 3.88Å; W216-S243 CarbonylContact C-O 3.54Å; W216-S243 WeakPolarHBondContact CA-O 3.4Å; W216-R244 HydrophobicContact CD2-CB 3.97Å; W216-R244 HydrophobicContact CE3-CB 3.88Å; W216-R244 HydrophobicContact CG-CB 4.48Å; W216-R244 HydrophobicContact CH2-CB 4.35Å; W216-R244 HydrophobicContact CZ2-CB 4.47Å; W216-R244 HydrophobicContact CZ3-CB 4.08Å | ||
| 217 | K | 92.4 | Very high | 86.3 | Confident | 105 Ų | 105 | 80.2 Ų | 80.2 | 46% | 0.457 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.8 | 176.8 | -66.3 | -177.1 | 178.6 | 174.1 | 0 | 109 | V242 S243 E245 | K217-V242 CarbonylContact O-C 3.53Å; K217-V242 WeakPolarHBondContact O-CA 3.49Å; K217-V242 WeakPolarHBondContact O-CB 3.32Å; K217-S243 PolarHBondContact N-O 2.98Å; K217-S243 PolarHBondContact O-N 2.77Å; K217-E245 IonicContact NZ-OE1 2.7Å; K217-E245 PolarHBondContact NZ-OE1 3.33Å |
| 218 | F | 93.1 | Very high | 84.7 | Confident | 98 Ų | 98 | 84.8 Ų | 84.8 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 128.7 | 168.8 | 174 | -91.1 | 0 | 0 | 0 | 109.7 | M212 Q220 L221 C240 | M212-F218 HydrophobicContact CE-CB 4.44Å; F218-Q220 VanDerWaalsContact CZ-C 3.4Å; F218-L221 HydrophobicContact CE2-CB 3.94Å; F218-L221 HydrophobicContact CZ-CB 3.63Å; F218-C240 WeakPolarHBondContact CD2-SG 3.09Å; F218-C240 VanDerWaalsContact CE2-SG 3.58Å |
| 219 | E | 94.1 | Very high | 83 | Confident | 93 Ų | 93 | 89.1 Ų | 89.1 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -48.7 | -180 | -67.7 | -69.5 | 158.2 | 0 | 0 | 111.6 | Y195 V241 S243 | Y195-E219 HydrophobicContact CD1-CG 4.47Å; Y195-E219 HydrophobicContact CE1-CG 4.16Å; E219-V241 HydrophobicContact CB-CB 4.32Å; E219-V241 HydrophobicContact CB-CG1 4.15Å; E219-V241 WeakPolarHBondContact CB-O 3.21Å; E219-V241 PolarHBondContact N-O 3.5Å; E219-S243 VanDerWaalsContact OE1-CB 3.24Å; E219-S243 WeakPolarHBondContact OE1-CB 3.14Å; E219-S243 PolarHBondContact OE1-OG 2.91Å |
| 220 | Q | 94.9 | Very high | 81.4 | Confident | 110 Ų | 110 | 98.3 Ų | 98.3 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 144.7 | -171.8 | -170.7 | 177.1 | -23.7 | 0 | 0 | 111.4 | F218 I222 C240 V241 | F218-Q220 VanDerWaalsContact CZ-C 3.4Å; Q220-I222 HydrophobicContact CG-CG1 4.08Å; Q220-C240 CarbonylContact O-C 3.41Å; Q220-V241 HydrophobicContact CB-CB 4.02Å; Q220-V241 HydrophobicContact CB-CG2 4.13Å; Q220-V241 PolarHBondContact N-O 2.84Å; Q220-V241 PolarHBondContact O-N 2.77Å |
| 221 | L | 93.9 | Very high | 79.8 | Confident | 64 Ų | 64 | 96.5 Ų | 96.5 | 34% | 0.335 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.8 | 168.3 | -170.9 | 71.9 | 0 | 0 | 0 | 108.8 | L205 F218 F238 L239 C240 | L205-L221 HydrophobicContact CD1-CD1 3.61Å; L205-L221 HydrophobicContact CD1-CD2 4.2Å; L205-L221 HydrophobicContact CD2-CD2 3.64Å; F218-L221 HydrophobicContact CE2-CB 3.94Å; F218-L221 HydrophobicContact CZ-CB 3.63Å; L221-F238 HydrophobicContact CD1-CB 3.67Å; L221-F238 HydrophobicContact CD1-CD1 4.15Å; L221-F238 HydrophobicContact CD1-CG 4.18Å; L221-F238 HydrophobicContact CD2-CD1 3.77Å; L221-F238 HydrophobicContact CD2-CE1 4.14Å; L221-F238 HydrophobicContact CD2-CG 4.36Å; L221-F238 HydrophobicContact CG-CB 4.22Å; L221-F238 HydrophobicContact CG-CD1 3.74Å; L221-F238 HydrophobicContact CG-CG 4.28Å; L221-L239 CarbonylContact C-O 3.6Å; L221-L239 WeakPolarHBondContact CA-O 3.4Å; L221-C240 HydrophobicContact CD1-CB 4.02Å |
| 222 | I | 94.3 | Very high | 77.9 | Confident | 66 Ų | 66 | 99 Ų | 99 | 34% | 0.338 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120.1 | -179.5 | -56.2 | 166.9 | 0 | 0 | 0 | 107.3 | Q220 F238 L239 V241 | Q220-I222 HydrophobicContact CG-CG1 4.08Å; I222-F238 CarbonylContact O-C 3.58Å; I222-F238 VanDerWaalsContact O-CA 3.28Å; I222-F238 WeakPolarHBondContact O-CA 3.37Å; I222-L239 HydrophobicContact CB-CB 4.26Å; I222-L239 PolarHBondContact N-O 2.72Å; I222-L239 PolarHBondContact O-N 2.83Å; I222-V241 HydrophobicContact CD1-CG2 4.28Å |
| 223 | S | 88.8 | Confident | 76.5 | Confident | 72 Ų | 72 | 104.8 Ų | 104.8 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.7 | 170.9 | -180 | 0 | 0 | 0 | 0 | 109.5 | ||
| 224 | I | 85.3 | Confident | 75.4 | Confident | 71 Ų | 71 | 106.5 Ų | 106.5 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 93.1 | 166.4 | -25.5 | 173.5 | 0 | 0 | 0 | 104 | E237 L239 | I224-E237 PolarHBondContact N-O 3.17Å; I224-L239 HydrophobicContact CD1-CD1 3.89Å; I224-L239 HydrophobicContact CD1-CD2 3.58Å; I224-L239 HydrophobicContact CD1-CG 3.4Å; I224-L239 VanDerWaalsContact CD1-CG 3.4Å; I224-L239 HydrophobicContact CG1-CD1 4.27Å; I224-L239 HydrophobicContact CG1-CD2 4.48Å; I224-L239 HydrophobicContact CG1-CG 3.81Å |
| 225 | G | 69.5 | Low | 74.5 | Confident | 54 Ų | 54 | 102.5 Ų | 102.5 | 56% | 0.557 | 54% | 0.542 | S | S | * | . | trans | -54.2 | 157.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S227 | G225-S227 PolarHBondContact O-N 3.28Å; G225-S227 VanDerWaalsContact O-N 3.15Å | ||
| 226 | S | 63.7 | Low | 74.1 | Confident | 63 Ų | 63 | 101.5 Ų | 101.5 | 44% | 0.441 | 53% | 0.53 | S | S | . | . | trans | -61.3 | 117.7 | 177.7 | 49.1 | 0 | 0 | 0 | 0 | 109.9 | Y228 D234 | S226-Y228 VanDerWaalsContact C-N 3.32Å; S226-Y228 PolarHBondContact O-N 3.08Å; S226-D234 WeakPolarHBondContact CB-OD1 3.47Å; S226-D234 PolarHBondContact OG-OD1 3.4Å | ||
| 227 | S | 55.7 | Low | 73.9 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 78% | 0.776 | 54% | 0.541 | S | S | * | . | trans | -72.7 | 89.1 | 176.6 | 43.4 | 0 | 0 | 0 | 0 | 109.3 | G225 | G225-S227 PolarHBondContact O-N 3.28Å; G225-S227 VanDerWaalsContact O-N 3.15Å | ||
| 228 | Y | 55.8 | Low | 73.8 | Confident | 228 Ų | 228 | 100 Ų | 100 | 89% | 0.894 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 45.8 | 83 | 166.6 | -56.9 | -80.8 | 0 | 0 | 0 | 115.3 | S226 | S226-Y228 VanDerWaalsContact C-N 3.32Å; S226-Y228 PolarHBondContact O-N 3.08Å |
| 229 | N | 54.6 | Low | 73.8 | Confident | 124 Ų | 124 | 97.6 Ų | 97.6 | 66% | 0.663 | 52% | 0.517 | S | S | * | . | trans | -129.8 | 113.4 | 170 | -144.1 | 31.5 | 0 | 0 | 0 | 112.4 | G231 | N229-G231 PolarHBondContact O-N 3.46Š| ||
| 230 | Y | 52.6 | Low | 73.7 | Confident | 252 Ų | 252 | 93.2 Ų | 93.2 | 99% | 0.988 | 50% | 0.497 | S | S | * | . | trans | -87.3 | 91.2 | 177.1 | -136.8 | -94.3 | 0 | 0 | 0 | 107.8 | ||||
| 231 | G | 54.8 | Low | 73.8 | Confident | 55 Ų | 55 | 89.1 Ų | 89.1 | 57% | 0.567 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 115 | 115.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N229 | N229-G231 PolarHBondContact O-N 3.46Š|
| 232 | N | 52.3 | Low | 73.8 | Confident | 152 Ų | 152 | 86.1 Ų | 86.1 | 81% | 0.813 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 76.3 | 120.5 | 175.2 | -80.2 | -71.4 | 0 | 0 | 0 | 117.9 | ||
| 233 | E | 59.5 | Low | 73.9 | Confident | 164 Ų | 164 | 83 Ų | 83 | 77% | 0.766 | 45% | 0.447 | S | S | * | . | trans | 43.8 | 84.5 | 170.7 | -72.8 | 174.1 | 129.9 | 0 | 0 | 115.9 | Q235 | E233-Q235 VanDerWaalsContact C-N 3.33Å; E233-Q235 PolarHBondContact O-N 2.78Å | ||
| 234 | D | 63.2 | Low | 74 | Confident | 117 Ų | 117 | 84.1 Ų | 84.1 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | trans | -57.7 | 94.3 | 160.6 | -86.1 | -49.2 | 0 | 0 | 0 | 109.4 | S226 A236 | S226-D234 WeakPolarHBondContact CB-OD1 3.47Å; S226-D234 PolarHBondContact OG-OD1 3.4Å; D234-A236 PolarHBondContact O-N 2.84Å | ||
| 235 | Q | 66.2 | Low | 74.3 | Confident | 81 Ų | 81 | 84.4 Ų | 84.4 | 38% | 0.379 | 44% | 0.44 | S | S | . | . | trans | -86.2 | 102.8 | 166.2 | -68.2 | -177.1 | -5.8 | 0 | 0 | 107.6 | Q201 E233 E237 | Q201-Q235 VanDerWaalsContact CD-OE1 3.27Å; E233-Q235 VanDerWaalsContact C-N 3.33Å; E233-Q235 PolarHBondContact O-N 2.78Å; Q235-E237 PolarHBondContact O-N 2.81Å | ||
| 236 | A | 78.1 | Confident | 74.8 | Confident | 21 Ų | 21 | 85.4 Ų | 85.4 | 17% | 0.174 | 43% | 0.433 | C | S | . | . | trans | -67.2 | 126.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | E202 D234 F238 | E202-A236 HydrophobicContact CB-CB 4.3Å; E202-A236 PolarHBondContact N-O 2.96Å; D234-A236 PolarHBondContact O-N 2.84Å; A236-F238 HydrophobicContact CB-CE2 3.88Å; A236-F238 HydrophobicContact CB-CZ 4.24Å | ||
| 237 | E | 88.5 | Confident | 75.3 | Confident | 73 Ų | 73 | 88.3 Ų | 88.3 | 34% | 0.341 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 146.4 | 175.6 | -70.7 | -169.6 | -176.1 | 0 | 0 | 111.2 | Q199 I224 Q235 | Q199-E237 PolarHBondContact NE2-OE2 2.89Å; I224-E237 PolarHBondContact N-O 3.17Å; Q235-E237 PolarHBondContact O-N 2.81Å |
| 238 | F | 90.3 | Very high | 75.3 | Confident | 30 Ų | 30 | 86.8 Ų | 86.8 | 13% | 0.132 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.6 | 180 | -63.6 | -90.1 | 0 | 0 | 0 | 112.2 | Q199 C200 E202 L221 I222 A236 | Q199-F238 WeakPolarHBondContact CA-O 3.39Å; C200-F238 PolarHBondContact N-O 3.06Å; C200-F238 PolarHBondContact O-N 2.69Å; E202-F238 HydrophobicContact CB-CD2 4.44Å; E202-F238 HydrophobicContact CB-CE2 3.8Å; E202-F238 HydrophobicContact CG-CE2 3.95Å; L221-F238 HydrophobicContact CD1-CB 3.67Å; L221-F238 HydrophobicContact CD1-CD1 4.15Å; L221-F238 HydrophobicContact CD1-CG 4.18Å; L221-F238 HydrophobicContact CD2-CD1 3.77Å; L221-F238 HydrophobicContact CD2-CE1 4.14Å; L221-F238 HydrophobicContact CD2-CG 4.36Å; L221-F238 HydrophobicContact CG-CB 4.22Å; L221-F238 HydrophobicContact CG-CD1 3.74Å; L221-F238 HydrophobicContact CG-CG 4.28Å; I222-F238 CarbonylContact O-C 3.58Å; I222-F238 VanDerWaalsContact O-CA 3.28Å; I222-F238 WeakPolarHBondContact O-CA 3.37Å; A236-F238 HydrophobicContact CB-CE2 3.88Å; A236-F238 HydrophobicContact CB-CZ 4.24Å |
| 239 | L | 93.8 | Very high | 75 | Confident | 49 Ų | 49 | 80.1 Ų | 80.1 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.4 | 163.1 | -57.3 | 177.5 | 0 | 0 | 0 | 109.4 | V197 L198 Q199 L221 I222 I224 | V197-L239 HydrophobicContact CG1-CB 3.82Å; V197-L239 HydrophobicContact CG1-CD1 4.35Å; V197-L239 HydrophobicContact CG1-CD2 4.04Å; V197-L239 HydrophobicContact CG1-CG 4.27Å; L198-L239 WeakPolarHBondContact O-CA 3.07Å; Q199-L239 HydrophobicContact CB-CD2 4Å; Q199-L239 HydrophobicContact CG-CD2 4.11Å; L221-L239 CarbonylContact C-O 3.6Å; L221-L239 WeakPolarHBondContact CA-O 3.4Å; I222-L239 HydrophobicContact CB-CB 4.26Å; I222-L239 PolarHBondContact N-O 2.72Å; I222-L239 PolarHBondContact O-N 2.83Å; I224-L239 HydrophobicContact CD1-CD1 3.89Å; I224-L239 HydrophobicContact CD1-CD2 3.58Å; I224-L239 HydrophobicContact CD1-CG 3.4Å; I224-L239 VanDerWaalsContact CD1-CG 3.4Å; I224-L239 HydrophobicContact CG1-CD1 4.27Å; I224-L239 HydrophobicContact CG1-CD2 4.48Å; I224-L239 HydrophobicContact CG1-CG 3.81Å |
| 240 | C | 92.8 | Very high | 74.6 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 110.1 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | V197 L198 M208 F218 Q220 L221 | V197-C240 WeakPolarHBondContact CA-O 3.4Å; L198-C240 HydrophobicContact CB-CB 4.38Å; L198-C240 PolarHBondContact N-O 2.95Å; L198-C240 PolarHBondContact O-N 3.3Å; M208-C240 HydrophobicContact CE-CB 3.41Å; M208-C240 VanDerWaalsContact CE-CB 3.41Å; M208-C240 HydrophobicContact SD-CB 4.25Å; F218-C240 WeakPolarHBondContact CD2-SG 3.09Å; F218-C240 VanDerWaalsContact CE2-SG 3.58Å; Q220-C240 CarbonylContact O-C 3.41Å; L221-C240 HydrophobicContact CD1-CB 4.02Å |
| 241 | V | 95.8 | Very high | 74.1 | Confident | 24 Ų | 24 | 75.2 Ų | 75.2 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.1 | 171.7 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | Y195 R196 V197 E219 Q220 I222 | Y195-V241 HydrophobicContact CD1-CG1 4.28Å; R196-V241 WeakPolarHBondContact O-CA 3.48Å; V197-V241 HydrophobicContact CG2-CG2 4.44Å; E219-V241 HydrophobicContact CB-CB 4.32Å; E219-V241 HydrophobicContact CB-CG1 4.15Å; E219-V241 WeakPolarHBondContact CB-O 3.21Å; E219-V241 PolarHBondContact N-O 3.5Å; Q220-V241 HydrophobicContact CB-CB 4.02Å; Q220-V241 HydrophobicContact CB-CG2 4.13Å; Q220-V241 PolarHBondContact N-O 2.84Å; Q220-V241 PolarHBondContact O-N 2.77Å; I222-V241 HydrophobicContact CD1-CG2 4.28Å |
| 242 | V | 95.3 | Very high | 73.3 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.012 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.7 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 109.8 | Y195 R196 L198 M212 W216 K217 | Y195-V242 CarbonylContact C-O 3.58Å; Y195-V242 VanDerWaalsContact CA-O 3.28Å; Y195-V242 WeakPolarHBondContact CA-O 3.21Å; R196-V242 HydrophobicContact CB-CG2 3.73Å; R196-V242 PolarHBondContact N-O 3.26Å; R196-V242 WeakPolarHBondContact O-CG2 3.32Å; R196-V242 PolarHBondContact O-N 3.4Å; L198-V242 HydrophobicContact CD1-CG1 4.4Å; L198-V242 HydrophobicContact CD1-CG2 4.25Å; L198-V242 HydrophobicContact CG-CG2 4.41Å; M212-V242 HydrophobicContact CE-CB 4.43Å; M212-V242 HydrophobicContact CE-CG1 3.36Å; M212-V242 HydrophobicContact SD-CB 4.28Å; M212-V242 HydrophobicContact SD-CG1 3.81Å; W216-V242 HydrophobicContact CD2-CG2 4.34Å; W216-V242 HydrophobicContact CE3-CB 4.02Å; W216-V242 HydrophobicContact CE3-CG2 3.47Å; W216-V242 VanDerWaalsContact CE3-CG2 3.47Å; W216-V242 HydrophobicContact CZ3-CG2 3.88Å; K217-V242 CarbonylContact O-C 3.53Å; K217-V242 WeakPolarHBondContact O-CA 3.49Å; K217-V242 WeakPolarHBondContact O-CB 3.32Å |
| 243 | S | 94.6 | Very high | 72.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 159 | 175.3 | 79.3 | 0 | 0 | 0 | 0 | 111.3 | V194 W216 K217 E219 | V194-S243 CarbonylContact O-C 3.52Å; V194-S243 VanDerWaalsContact O-CA 3.24Å; V194-S243 WeakPolarHBondContact O-CA 3.48Å; W216-S243 CarbonylContact C-O 3.54Å; W216-S243 WeakPolarHBondContact CA-O 3.4Å; K217-S243 PolarHBondContact N-O 2.98Å; K217-S243 PolarHBondContact O-N 2.77Å; E219-S243 VanDerWaalsContact OE1-CB 3.24Å; E219-S243 WeakPolarHBondContact OE1-CB 3.14Å; E219-S243 PolarHBondContact OE1-OG 2.91Å |
| 244 | R | 92.7 | Very high | 71.6 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 36% | 0.362 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 131 | 166.3 | 178.3 | 166.8 | 72.7 | 169.3 | 7.7 | 109.5 | H193 V194 G215 W216 | H193-R244 WeakPolarHBondContact CA-O 3.48Å; V194-R244 PolarHBondContact N-O 2.68Å; V194-R244 PolarHBondContact O-N 2.86Å; G215-R244 VanDerWaalsContact O-CG 3.24Å; G215-R244 WeakPolarHBondContact O-CG 3.3Å; W216-R244 HydrophobicContact CD2-CB 3.97Å; W216-R244 HydrophobicContact CE3-CB 3.88Å; W216-R244 HydrophobicContact CG-CB 4.48Å; W216-R244 HydrophobicContact CH2-CB 4.35Å; W216-R244 HydrophobicContact CZ2-CB 4.47Å; W216-R244 HydrophobicContact CZ3-CB 4.08Å |
| 245 | E | 90.9 | Very high | 70.8 | Confident | 76 Ų | 76 | 76.5 Ų | 76.5 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 129.9 | 173.2 | -73.6 | 171.3 | -141.1 | 0 | 0 | 110 | V191 H193 K217 | V191-E245 HydrophobicContact CG1-CB 3.91Å; V191-E245 HydrophobicContact CG1-CG 3.95Å; H193-E245 VanDerWaalsContact NE2-CG 3.3Å; H193-E245 WeakPolarHBondContact NE2-CG 3.42Å; K217-E245 IonicContact NZ-OE1 2.7Å; K217-E245 PolarHBondContact NZ-OE1 3.33Å |
| 246 | L | 80.9 | Confident | 69.5 | Low | 76 Ų | 76 | 79.6 Ų | 79.6 | 40% | 0.398 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 104.1 | 168.5 | -82.8 | 167.2 | 0 | 0 | 0 | 107.9 | K192 V194 N248 | K192-L246 HydrophobicContact CB-CB 4.01Å; K192-L246 HydrophobicContact CB-CD1 4.26Å; K192-L246 WeakPolarHBondContact O-CB 3.07Å; K192-L246 PolarHBondContact O-N 3.27Å; V194-L246 HydrophobicContact CG2-CD1 3.25Å; V194-L246 HydrophobicContact CG2-CD2 4.47Å; V194-L246 HydrophobicContact CG2-CG 3.7Å; L246-N248 PolarHBondContact O-N 2.86Å; L246-N248 VanDerWaalsContact O-N 3.09Å |
| 247 | N | 72.5 | Confident | 67.8 | Low | 123 Ų | 123 | 83.6 Ų | 83.6 | 66% | 0.658 | 47% | 0.467 | S | S | * | . | trans | -64.6 | 112.8 | 168.6 | -42.8 | 15.9 | 0 | 0 | 0 | 105.7 | S249 | N247-S249 PolarHBondContact O-N 3.46Š| ||
| 248 | N | 57.4 | Low | 66 | Low | 80 Ų | 80 | 85.1 Ų | 85.1 | 43% | 0.428 | 48% | 0.481 | S | S | . | . | trans | -76.9 | 53.3 | 178 | -151.2 | 87.2 | 0 | 0 | 0 | 109.4 | K192 L246 T250 | K192-N248 PolarHBondContact NZ-OD1 3.5Å; K192-N248 VanDerWaalsContact NZ-OD1 3.13Å; L246-N248 PolarHBondContact O-N 2.86Å; L246-N248 VanDerWaalsContact O-N 3.09Å; N248-T250 VanDerWaalsContact C-N 3.26Å; N248-T250 PolarHBondContact O-N 3.24Å | ||
| 249 | S | 49.4 | Very low | 63.8 | Low | 88 Ų | 88 | 91 Ų | 91 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | trans | -89.3 | 66 | 170.8 | -53.7 | 0 | 0 | 0 | 0 | 107.9 | N247 N251 | N247-S249 PolarHBondContact O-N 3.46Å; S249-N251 PolarHBondContact O-N 3.09Å | ||
| 250 | T | 45.9 | Very low | 61.5 | Low | 117 Ų | 117 | 96.7 Ų | 96.7 | 72% | 0.718 | 53% | 0.532 | S | S | * | . | trans | -69.9 | 82 | 162.5 | 37.5 | 0 | 0 | 0 | 0 | 108.3 | N248 | N248-T250 VanDerWaalsContact C-N 3.26Å; N248-T250 PolarHBondContact O-N 3.24Å | ||
| 251 | N | 40.7 | Very low | 59.3 | Low | 155 Ų | 155 | 99.7 Ų | 99.7 | 83% | 0.829 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -149.7 | 77.3 | 151.2 | -83.9 | -38.3 | 0 | 0 | 0 | 107.3 | S249 I253 | S249-N251 PolarHBondContact O-N 3.09Å; N251-I253 PolarHBondContact O-N 3.24Å |
| 252 | G | 38.4 | Very low | 56.9 | Low | 82 Ų | 82 | 106.4 Ų | 106.4 | 85% | 0.845 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 70.5 | 38.2 | 140.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||
| 253 | I | 37.9 | Very low | 54.7 | Low | 147 Ų | 147 | 111.5 Ų | 111.5 | 75% | 0.754 | 61% | 0.61 | S | S | * | * | trans | -119.9 | 107.2 | 159.4 | -57.3 | 177.8 | 0 | 0 | 0 | 108.3 | N251 I255 | N251-I253 PolarHBondContact O-N 3.24Å; I253-I255 VanDerWaalsContact C-N 3.33Å; I253-I255 PolarHBondContact O-N 2.98Å | ||
| 254 | V | 37.8 | Very low | 52.6 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | trans | -55.8 | 101.5 | 161.6 | 176 | 0 | 0 | 0 | 0 | 105.9 | E256 | V254-E256 PolarHBondContact O-N 2.99Š| ||
| 255 | I | 48 | Very low | 50.7 | Low | 155 Ų | 155 | 121.2 Ų | 121.2 | 80% | 0.795 | 66% | 0.663 | S | S | * | * | trans | -71.3 | 91.9 | 165.8 | -58.1 | 174 | 0 | 0 | 0 | 104.4 | I253 | I253-I255 VanDerWaalsContact C-N 3.33Å; I253-I255 PolarHBondContact O-N 2.98Å | ||
| 256 | E | 39 | Very low | 48.5 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | trans | -54 | 128.9 | 170.8 | -156.9 | -177.9 | 153 | 0 | 0 | 107.5 | V254 T258 | V254-E256 PolarHBondContact O-N 2.99Å; E256-T258 PolarHBondContact O-N 3.39Å | ||
| 257 | P | 41.4 | Very low | 47 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 69% | 0.688 | 70% | 0.7 | S | S | * | * | trans | -60 | 115.9 | 176 | -10.8 | 20.7 | 0 | 0 | 0 | 108 | E259 | P257-E259 PolarHBondContact O-N 3.43Š| ||
| 258 | T | 50.2 | Low | 45.6 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 64% | 0.638 | 70% | 0.701 | S | S | * | * | trans | -43 | 124.5 | 175.7 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | E256 K260 A261 | E256-T258 PolarHBondContact O-N 3.39Å; T258-K260 HydrophobicContact CG2-CB 4.35Å; T258-K260 HydrophobicContact CG2-CG 4.38Å; T258-K260 PolarHBondContact O-N 3.28Å; T258-A261 PolarHBondContact O-N 3.42Å | ||
| 259 | E | 43.9 | Very low | 45 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | -21.4 | -175.2 | -81.2 | 172.3 | 127.2 | 0 | 0 | 114.7 | P257 A261 K262 | P257-E259 PolarHBondContact O-N 3.43Å; E259-A261 VanDerWaalsContact C-N 3.28Å; E259-A261 PolarHBondContact O-N 3.47Å; E259-K262 PolarHBondContact O-N 3.19Å |
| 260 | K | 45.4 | Very low | 44.9 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 73% | 0.726 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -62.7 | -27.9 | 173.7 | -65.9 | -170.2 | 179.6 | -177.6 | 0 | 114.1 | T258 | T258-K260 HydrophobicContact CG2-CB 4.35Å; T258-K260 HydrophobicContact CG2-CG 4.38Å; T258-K260 PolarHBondContact O-N 3.28Å |
| 261 | A | 48 | Very low | 44.6 | Very low | 64 Ų | 64 | 143.1 Ų | 143.1 | 53% | 0.529 | 75% | 0.753 | S | S | . | * | H | α-helix | trans | -74.4 | -26.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T258 E259 | T258-A261 PolarHBondContact O-N 3.42Å; E259-A261 VanDerWaalsContact C-N 3.28Å; E259-A261 PolarHBondContact O-N 3.47Å |
| 262 | K | 45.7 | Very low | 44.8 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -69.6 | -34.2 | 176.1 | -94.1 | -176.6 | 173.5 | 178.9 | 0 | 112.6 | E259 L264 Q265 E266 | E259-K262 PolarHBondContact O-N 3.19Å; K262-L264 VanDerWaalsContact C-N 3.32Å; K262-L264 PolarHBondContact O-N 3.43Å; K262-Q265 PolarHBondContact O-N 3.33Å; K262-E266 PolarHBondContact O-N 3.33Å |
| 263 | I | 48.7 | Very low | 45.1 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 55% | 0.554 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -70.4 | -28.4 | -174.7 | -61.3 | 172.5 | 0 | 0 | 0 | 112.2 | ||
| 264 | L | 49.3 | Very low | 45.5 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -80.3 | -29.1 | 177.2 | -89.8 | 150.2 | 0 | 0 | 0 | 113.2 | K262 | K262-L264 VanDerWaalsContact C-N 3.32Å; K262-L264 PolarHBondContact O-N 3.43Å |
| 265 | Q | 52.7 | Low | 45.9 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -75 | -30.4 | 178.2 | -162.2 | 170.1 | 9 | 0 | 0 | 112.2 | K262 R267 | K262-Q265 PolarHBondContact O-N 3.33Å; Q265-R267 VanDerWaalsContact C-N 3.34Å |
| 266 | E | 45 | Very low | 45.8 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -77 | -20.6 | -179.8 | -150.4 | 169.6 | -164.1 | 0 | 0 | 113.1 | K262 | K262-E266 PolarHBondContact O-N 3.33Å |
| 267 | R | 48.9 | Very low | 46.3 | Very low | 214 Ų | 214 | 145.9 Ų | 145.9 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -86.2 | -18.7 | 174.4 | -95.7 | -180 | 158.5 | 150.9 | -4.9 | 114.6 | Q265 | Q265-R267 VanDerWaalsContact C-N 3.34Å |
| 268 | G | 44 | Very low | 46.6 | Very low | 67 Ų | 67 | 148.8 Ų | 148.8 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -2.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 269 | S | 44.1 | Very low | 46.3 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 12 | -178 | -131.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 270 | R | 48.2 | Very low | 46.5 | Very low | 225 Ų | 225 | 152 Ų | 152 | 85% | 0.849 | 76% | 0.756 | S | S | * | * | trans | -127.9 | 28 | -179.6 | -81.3 | -169.2 | 176.1 | 172.8 | 2.4 | 114.5 | ||||
| 271 | M | 38.5 | Very low | 46.6 | Very low | 257 Ų | 257 | 150.6 Ų | 150.6 | 100% | 1.266 | 76% | 0.758 | S | S | * | * | trans | -124.3 | 0 | 161.3 | -78.2 | -178.4 | -177.2 | 0 | 0 | 109.6 |
Retrieved 271 of 271 residues in 535.7 ms
(Link to these results)