| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.8 | Very low | 50.8 | Low | 238 Ų | 238 | 164.9 Ų | 164.9 | 100% | 1.172 | 84% | 0.84 | S | S | * | * | 0 | 72.5 | 0 | -64.8 | 170.8 | 151.9 | 0 | 0 | 106.7 | |||||
| 2 | S | 40.3 | Very low | 50.1 | Low | 113 Ų | 113 | 159.8 Ų | 159.8 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | 65 | 112.3 | 82.7 | -51.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 3 | S | 44.1 | Very low | 49.5 | Very low | 108 Ų | 108 | 154.2 Ų | 154.2 | 76% | 0.755 | 85% | 0.845 | S | S | * | * | trans | 98.2 | 108 | 132.9 | -51.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 4 | S | 48.4 | Very low | 49.6 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | 95.5 | 127.5 | 110.3 | -61.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 5 | A | 51.3 | Low | 49.6 | Very low | 94 Ų | 94 | 148.5 Ų | 148.5 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | trans | -48.1 | 153.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 6 | Q | 57.4 | Low | 50.1 | Low | 197 Ų | 197 | 148.5 Ų | 148.5 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -138.9 | 118.2 | 153.4 | -100.1 | 161.4 | -1.3 | 0 | 0 | 112.4 | ||||
| 7 | R | 57.7 | Low | 50.2 | Low | 216 Ų | 216 | 146.9 Ų | 146.9 | 82% | 0.815 | 83% | 0.827 | S | S | * | * | trans | -63 | 142.2 | 168.4 | -72.1 | 167.5 | 150.7 | -152.2 | -4.7 | 110.6 | ||||
| 8 | K | 60.8 | Low | 50.4 | Low | 213 Ų | 213 | 145.7 Ų | 145.7 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -118.8 | 124.2 | 162.3 | -157.6 | 153.5 | -175.9 | 176.3 | 0 | 110.4 | ||||
| 9 | R | 53.9 | Low | 50.8 | Low | 183 Ų | 183 | 150.5 Ų | 150.5 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | -107.7 | 137.9 | -178.5 | -82.5 | -170.4 | 165.7 | -137.9 | -3.9 | 110.6 | ||||
| 10 | R | 49.4 | Very low | 50.8 | Low | 220 Ų | 220 | 150 Ų | 150 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | trans | 69.7 | 165.4 | 141.9 | -71.2 | -177.2 | 142.6 | -159.8 | -7.2 | 118.6 | ||||
| 11 | P | 51.1 | Low | 50.8 | Low | 114 Ų | 114 | 153.3 Ų | 153.3 | 74% | 0.74 | 83% | 0.834 | S | S | * | * | cis | -139.5 | 176.2 | 10.9 | 39 | -18.7 | 0 | 0 | 0 | 118.5 | ||||
| 12 | A | 42.2 | Very low | 51.2 | Low | 104 Ų | 104 | 149 Ų | 149 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | 65 | 122.2 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 13 | G | 42.6 | Very low | 51.5 | Low | 86 Ų | 86 | 151.2 Ų | 151.2 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -166.5 | 102.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 14 | S | 50.8 | Low | 51.9 | Low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -118.7 | 126.7 | 179 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 15 | S | 49.9 | Very low | 51.8 | Low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | 170.1 | 155.5 | 151.8 | -88.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | L | 57.4 | Low | 51.8 | Low | 148 Ų | 148 | 156.8 Ų | 156.8 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | cis | -165.7 | 138.3 | -22.8 | -99.9 | 168.4 | 0 | 0 | 0 | 103 | ||||
| 17 | V | 51.7 | Low | 51.4 | Low | 121 Ų | 121 | 152.2 Ų | 152.2 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | 24.8 | 124.6 | 146.7 | -167.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 18 | S | 53.7 | Low | 51.1 | Low | 125 Ų | 125 | 146.4 Ų | 146.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -155.7 | 102.9 | 133.1 | -83.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 19 | R | 58 | Low | 50.6 | Low | 237 Ų | 237 | 141.6 Ų | 141.6 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -95.2 | 130.9 | 162.8 | -79.1 | 174.5 | 151.4 | 178.7 | -5.2 | 107.3 | ||||
| 20 | T | 51.5 | Low | 50.5 | Low | 141 Ų | 141 | 137.4 Ų | 137.4 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -123.5 | 104.4 | 159.4 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 21 | R | 50.8 | Low | 50.6 | Low | 219 Ų | 219 | 137.9 Ų | 137.9 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -87.4 | 127.7 | 156.8 | -80.9 | 171.3 | 84.4 | -145 | 16 | 106.6 | ||||
| 22 | T | 51.5 | Low | 50.6 | Low | 147 Ų | 147 | 139 Ų | 139 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -112.7 | 115.9 | 154.4 | 22.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 23 | K | 48.6 | Very low | 51.1 | Low | 160 Ų | 160 | 145.4 Ų | 145.4 | 70% | 0.696 | 80% | 0.804 | S | S | * | * | trans | -94.3 | 161.9 | 175.7 | -172.8 | -164.8 | 175.5 | 179 | 0 | 107.7 | ||||
| 24 | T | 50.4 | Low | 51.1 | Low | 114 Ų | 114 | 153.1 Ų | 153.1 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | 92.6 | 142.8 | 153.4 | 74.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 25 | S | 48.3 | Very low | 50.6 | Low | 82 Ų | 82 | 151.8 Ų | 151.8 | 57% | 0.573 | 80% | 0.802 | S | S | * | * | cis | 176.8 | 150.7 | -17.6 | 54.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 26 | R | 50.7 | Low | 50 | Low | 241 Ų | 241 | 151.5 Ų | 151.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | 68.6 | 141.6 | 152.6 | -63.5 | 160.2 | -179.2 | -176.1 | -1.3 | 114.5 | ||||
| 27 | A | 49.1 | Very low | 49.2 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | cis | -154.1 | 158.8 | 43.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 28 | A | 50.5 | Low | 48.8 | Very low | 94 Ų | 94 | 147 Ų | 147 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -92 | 148.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 29 | S | 50 | Low | 48.7 | Very low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | 173.9 | 111.2 | 146.5 | -87.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 30 | S | 52 | Low | 48 | Very low | 95 Ų | 95 | 149.1 Ų | 149.1 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | 77.1 | 125.9 | 66.6 | 92.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 31 | R | 52.8 | Low | 48.4 | Very low | 230 Ų | 230 | 147.6 Ų | 147.6 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | 84.9 | 133.5 | 164 | -52.2 | 175 | 168.1 | 179.7 | -4.1 | 113.9 | ||||
| 32 | T | 50.3 | Low | 48.8 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | cis | -161.1 | 154.1 | 46.8 | 31.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 33 | R | 52.2 | Low | 49.6 | Very low | 238 Ų | 238 | 139.8 Ų | 139.8 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 164.9 | 167.3 | -71 | -174.8 | 173.7 | -167.3 | -1.2 | 112.2 | ||||
| 34 | R | 43.2 | Very low | 50.4 | Low | 247 Ų | 247 | 137.5 Ų | 137.5 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | 105.6 | 145 | 167.1 | -67.6 | 178.4 | 164.5 | -107.9 | -1.3 | 112.6 | ||||
| 35 | A | 40.7 | Very low | 50.7 | Low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | cis | -175.3 | 160.3 | -17.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 36 | A | 37.2 | Very low | 51.2 | Low | 105 Ų | 105 | 142.6 Ų | 142.6 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | 75.5 | 113.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 37 | G | 39.6 | Very low | 51.9 | Low | 82 Ų | 82 | 136.6 Ų | 136.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | 86.4 | 99.6 | 113.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 38 | A | 44.3 | Very low | 52.5 | Low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | 170.5 | 92.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 39 | R | 50.8 | Low | 52.7 | Low | 251 Ų | 251 | 141.9 Ų | 141.9 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | 29.9 | 81.6 | 93.5 | -58.3 | -168.2 | 103.1 | -152.5 | 5.3 | 112.4 | |||||
| 40 | D | 44.5 | Very low | 53.2 | Low | 156 Ų | 156 | 142.7 Ų | 142.7 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -96.6 | 114.7 | 163.7 | -155.5 | -75.4 | 0 | 0 | 0 | 107.4 | ||||
| 41 | P | 58 | Low | 53.4 | Low | 109 Ų | 109 | 146.9 Ų | 146.9 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82 | 128.9 | 179.2 | 30.8 | -29.3 | 0 | 0 | 0 | 110.7 | ||
| 42 | A | 60.1 | Low | 53.5 | Low | 87 Ų | 87 | 142.9 Ų | 142.9 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -54 | 144.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 43 | P | 68.5 | Low | 53.5 | Low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 147 | 172.6 | 28.9 | -33.1 | 0 | 0 | 0 | 111 | ||
| 44 | P | 66 | Low | 53.9 | Low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 149.7 | 178.9 | 29.6 | -34 | 0 | 0 | 0 | 111.3 | E46 | P44-E46 PolarHBondContact O-N 3.47Š|
| 45 | P | 56 | Low | 54.7 | Low | 124 Ų | 124 | 128.8 Ų | 128.8 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 126.1 | 170.9 | 30.3 | -31.5 | 0 | 0 | 0 | 109.6 | ||
| 46 | E | 59.1 | Low | 55.6 | Low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 137.5 | 168.1 | -62.3 | -166.2 | 140.6 | 0 | 0 | 109.6 | P44 I48 | P44-E46 PolarHBondContact O-N 3.47Å; E46-I48 PolarHBondContact O-N 3.5Å |
| 47 | P | 64.9 | Low | 56.6 | Low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 129.7 | 172.9 | 28.2 | -31.3 | 0 | 0 | 0 | 109.6 | D49 | P47-D49 PolarHBondContact O-N 3.36Š|
| 48 | I | 62.3 | Low | 57.8 | Low | 155 Ų | 155 | 133.4 Ų | 133.4 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | trans | -77.7 | 110.3 | 172.2 | -59.8 | 164.9 | 0 | 0 | 0 | 106.7 | E46 V50 | E46-I48 PolarHBondContact O-N 3.5Å; I48-V50 PolarHBondContact O-N 3.14Å; I48-V50 VanDerWaalsContact O-N 3.14Å | ||
| 49 | D | 54.3 | Low | 58.7 | Low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -68 | 106.6 | 168.7 | -73.2 | -58.8 | 0 | 0 | 0 | 109 | P47 M51 | P47-D49 PolarHBondContact O-N 3.36Å; D49-M51 PolarHBondContact O-N 3.14Å | ||
| 50 | V | 61.3 | Low | 59.3 | Low | 129 Ų | 129 | 133.5 Ų | 133.5 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -78.4 | 100.2 | 171.7 | -167.1 | 0 | 0 | 0 | 0 | 107 | I48 D52 | I48-V50 PolarHBondContact O-N 3.14Å; I48-V50 VanDerWaalsContact O-N 3.14Å; V50-D52 PolarHBondContact O-N 3.21Å; V50-D52 VanDerWaalsContact O-N 3.14Å | ||
| 51 | M | 54.9 | Low | 60.7 | Low | 182 Ų | 182 | 132.3 Ų | 132.3 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -73.4 | 101.3 | 169.4 | -156.9 | 108.6 | 75.7 | 0 | 0 | 107.9 | D49 G53 | D49-M51 PolarHBondContact O-N 3.14Å; M51-G53 VanDerWaalsContact C-N 3.29Å; M51-G53 PolarHBondContact O-N 3.02Å | ||
| 52 | D | 56.4 | Low | 61.4 | Low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -72.7 | 86.3 | 169.5 | -169.5 | -119.3 | 0 | 0 | 0 | 108.3 | V50 A54 | V50-D52 PolarHBondContact O-N 3.21Å; V50-D52 VanDerWaalsContact O-N 3.14Å; D52-A54 VanDerWaalsContact C-N 3.32Å; D52-A54 PolarHBondContact O-N 3.19Å | ||
| 53 | G | 48.5 | Very low | 61.8 | Low | 58 Ų | 58 | 133.9 Ų | 133.9 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | trans | -82 | 79 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | M51 E55 | M51-G53 VanDerWaalsContact C-N 3.29Å; M51-G53 PolarHBondContact O-N 3.02Å; G53-E55 PolarHBondContact O-N 2.93Å | ||
| 54 | A | 61.3 | Low | 61.5 | Low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -71.4 | 85.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | D52 | D52-A54 VanDerWaalsContact C-N 3.32Å; D52-A54 PolarHBondContact O-N 3.19Å | ||
| 55 | E | 59.4 | Low | 61.7 | Low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -116.4 | 104.7 | 160.4 | 61.8 | -169.4 | 122.3 | 0 | 0 | 109.4 | G53 G57 | G53-E55 PolarHBondContact O-N 2.93Å; E55-G57 VanDerWaalsContact C-N 3.33Å; E55-G57 PolarHBondContact O-N 2.87Å | ||
| 56 | D | 59.8 | Low | 62.1 | Low | 175 Ų | 175 | 134.7 Ų | 134.7 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | -42.9 | 90.3 | 161.9 | -174.5 | 64.1 | 0 | 0 | 0 | 110.6 | ||||
| 57 | G | 58.8 | Low | 62.6 | Low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -106.1 | 101.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | E55 E59 | E55-G57 VanDerWaalsContact C-N 3.33Å; E55-G57 PolarHBondContact O-N 2.87Å; G57-E59 PolarHBondContact O-N 2.84Å; G57-E59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | V | 64.2 | Low | 62.6 | Low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -37.3 | 114.9 | 172 | 46.8 | 0 | 0 | 0 | 0 | 112 | E60 | V58-E60 PolarHBondContact O-N 3.17Š| ||
| 59 | E | 63.8 | Low | 62.6 | Low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -60.1 | 105.2 | 163 | -68.7 | -94.3 | 150.7 | 0 | 0 | 107.4 | G57 V61 | G57-E59 PolarHBondContact O-N 2.84Å; G57-E59 VanDerWaalsContact O-N 3.14Å; E59-V61 PolarHBondContact O-N 3.42Å | ||
| 60 | E | 63.7 | Low | 63.1 | Low | 169 Ų | 169 | 132.7 Ų | 132.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -70.4 | 97.2 | 171.7 | -171.4 | -175.9 | 163.5 | 0 | 0 | 108.2 | V58 V62 | V58-E60 PolarHBondContact O-N 3.17Å; E60-V62 PolarHBondContact O-N 2.95Å | ||
| 61 | V | 73.2 | Confident | 63.2 | Low | 132 Ų | 132 | 131.6 Ų | 131.6 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -72.8 | 99 | 173.6 | -169.9 | 0 | 0 | 0 | 0 | 107.8 | E59 D63 | E59-V61 PolarHBondContact O-N 3.42Å; V61-D63 PolarHBondContact O-N 2.85Å; V61-D63 VanDerWaalsContact O-N 3.17Å | ||
| 62 | V | 73.3 | Confident | 63.8 | Low | 105 Ų | 105 | 127.2 Ų | 127.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -65 | 110.7 | 169.9 | -110.6 | 0 | 0 | 0 | 0 | 108.9 | E60 L64 | E60-V62 PolarHBondContact O-N 2.95Å; V62-L64 PolarHBondContact O-N 2.9Å; V62-L64 VanDerWaalsContact O-N 3.13Å | ||
| 63 | D | 69.1 | Low | 64.7 | Low | 123 Ų | 123 | 126.9 Ų | 126.9 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | trans | -69 | 106.6 | 169.6 | -167.3 | -9.5 | 0 | 0 | 0 | 108.9 | V61 T65 | V61-D63 PolarHBondContact O-N 2.85Å; V61-D63 VanDerWaalsContact O-N 3.17Å; D63-T65 VanDerWaalsContact OD1-CB 3.31Å; D63-T65 WeakPolarHBondContact OD1-CB 3.49Å; D63-T65 PolarHBondContact OD1-N 3.32Å; D63-T65 PolarHBondContact OD1-OG1 3.25Å; D63-T65 PolarHBondContact OD2-OG1 2.89Å | ||
| 64 | L | 61.5 | Low | 65.9 | Low | 154 Ų | 154 | 129.7 Ų | 129.7 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | -84 | 4.5 | 176.5 | -64.7 | 175.8 | 0 | 0 | 0 | 112.2 | V62 C66 | V62-L64 PolarHBondContact O-N 2.9Å; V62-L64 VanDerWaalsContact O-N 3.13Å; L64-C66 PolarHBondContact O-N 3.4Å | ||
| 65 | T | 69.8 | Low | 66.3 | Low | 105 Ų | 105 | 129.9 Ų | 129.9 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | trans | -77.5 | 57.9 | 167.7 | 68.2 | 0 | 0 | 0 | 0 | 110.1 | D63 E67 | D63-T65 VanDerWaalsContact OD1-CB 3.31Å; D63-T65 WeakPolarHBondContact OD1-CB 3.49Å; D63-T65 PolarHBondContact OD1-N 3.32Å; D63-T65 PolarHBondContact OD1-OG1 3.25Å; D63-T65 PolarHBondContact OD2-OG1 2.89Å; T65-E67 VanDerWaalsContact C-N 3.3Å; T65-E67 PolarHBondContact O-N 3.01Å | ||
| 66 | C | 63.7 | Low | 66.6 | Low | 110 Ų | 110 | 128.5 Ų | 128.5 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -62.7 | 96.2 | 166.8 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | L64 G68 | L64-C66 PolarHBondContact O-N 3.4Å; C66-G68 VanDerWaalsContact C-N 3.29Å; C66-G68 PolarHBondContact O-N 3.35Å | ||
| 67 | E | 69.6 | Low | 67.1 | Low | 197 Ų | 197 | 125.7 Ų | 125.7 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -55.3 | 87.3 | 158.9 | 49.5 | -173.3 | 127.7 | 0 | 0 | 109.9 | T65 | T65-E67 VanDerWaalsContact C-N 3.3Å; T65-E67 PolarHBondContact O-N 3.01Å | ||
| 68 | G | 66.7 | Low | 67.3 | Low | 56 Ų | 56 | 128 Ų | 128 | 58% | 0.577 | 74% | 0.743 | S | S | * | * | trans | 164.4 | 61.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | C66 | C66-G68 VanDerWaalsContact C-N 3.29Å; C66-G68 PolarHBondContact O-N 3.35Å | ||
| 69 | S | 61.4 | Low | 67.4 | Low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -173.3 | 84.5 | 146.5 | -73.7 | 0 | 0 | 0 | 0 | 108.2 | S71 | S69-S71 PolarHBondContact O-N 3.04Š| ||
| 70 | E | 65.5 | Low | 67.3 | Low | 195 Ų | 195 | 126.7 Ų | 126.7 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | trans | -57.4 | 109.3 | 163.1 | 60.9 | -171.2 | 113.5 | 0 | 0 | 107.9 | A72 | E70-A72 PolarHBondContact O-N 3.14Š| ||
| 71 | S | 63 | Low | 66.8 | Low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -73.5 | 111.2 | 169.8 | -62.7 | 0 | 0 | 0 | 0 | 106 | S69 V73 | S69-S71 PolarHBondContact O-N 3.04Å; S71-V73 PolarHBondContact O-N 2.85Å | ||
| 72 | A | 68.1 | Low | 66.2 | Low | 91 Ų | 91 | 124.9 Ų | 124.9 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -52.5 | 108.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | E70 V74 | E70-A72 PolarHBondContact O-N 3.14Å; A72-V74 PolarHBondContact O-N 2.87Å | ||
| 73 | V | 74.9 | Confident | 65.4 | Low | 139 Ų | 139 | 126.4 Ų | 126.4 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | trans | -70.9 | 112.8 | 174.5 | -70.8 | 0 | 0 | 0 | 0 | 107.6 | S71 D75 | S71-V73 PolarHBondContact O-N 2.85Å; V73-D75 PolarHBondContact O-N 3.03Å | ||
| 74 | V | 73.9 | Confident | 64.6 | Low | 118 Ų | 118 | 127.5 Ų | 127.5 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | trans | -79.7 | 105.5 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | A72 L76 | A72-V74 PolarHBondContact O-N 2.87Å; V74-L76 HydrophobicContact CG1-CG 4.38Å; V74-L76 PolarHBondContact O-N 2.79Å | ||
| 75 | D | 68.6 | Low | 64 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 51% | 0.508 | 75% | 0.752 | S | S | . | * | trans | -70.7 | 107.4 | 171 | 176.4 | 29.6 | 0 | 0 | 0 | 109.8 | V73 T77 T78 | V73-D75 PolarHBondContact O-N 3.03Å; D75-T77 VanDerWaalsContact C-N 3.31Å; D75-T77 WeakPolarHBondContact OD1-CB 3.24Å; D75-T77 PolarHBondContact OD1-N 2.96Å; D75-T77 PolarHBondContact OD1-OG1 2.92Å; D75-T78 PolarHBondContact OD2-OG1 2.84Å | ||
| 76 | L | 67.1 | Low | 63.3 | Low | 148 Ų | 148 | 129 Ų | 129 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -88.8 | 5.6 | 176.5 | -75.9 | 134.8 | 0 | 0 | 0 | 112.7 | V74 | V74-L76 HydrophobicContact CG1-CG 4.38Å; V74-L76 PolarHBondContact O-N 2.79Å | ||
| 77 | T | 69.8 | Low | 63 | Low | 116 Ų | 116 | 131.3 Ų | 131.3 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -95.9 | -3.4 | -176.3 | 70 | 0 | 0 | 0 | 0 | 114.4 | D75 | D75-T77 VanDerWaalsContact C-N 3.31Å; D75-T77 WeakPolarHBondContact OD1-CB 3.24Å; D75-T77 PolarHBondContact OD1-N 2.96Å; D75-T77 PolarHBondContact OD1-OG1 2.92Å |
| 78 | T | 63 | Low | 61.7 | Low | 112 Ų | 112 | 130.6 Ų | 130.6 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -95.6 | 3.3 | 173.9 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | D75 | D75-T78 PolarHBondContact OD2-OG1 2.84Š|
| 79 | N | 64.9 | Low | 60.4 | Low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -104.4 | 69.1 | 162.6 | -175.1 | 1.1 | 0 | 0 | 0 | 110.1 | E81 | N79-E81 PolarHBondContact OD1-N 2.96Š| ||
| 80 | N | 62.9 | Low | 60.3 | Low | 143 Ų | 143 | 131.5 Ų | 131.5 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -108.3 | 58.8 | 153.6 | -167.2 | 78.1 | 0 | 0 | 0 | 108.4 | ||||
| 81 | E | 53.4 | Low | 59.4 | Low | 155 Ų | 155 | 128.5 Ų | 128.5 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -117.2 | 95.2 | 170.3 | -63.9 | -162.2 | 122.3 | 0 | 0 | 109.2 | N79 V83 | N79-E81 PolarHBondContact OD1-N 2.96Å; E81-V83 PolarHBondContact O-N 2.98Å | ||
| 82 | S | 59 | Low | 58.3 | Low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -50.3 | 102.1 | 162.4 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | L84 | S82-L84 VanDerWaalsContact C-N 3.32Å; S82-L84 PolarHBondContact O-N 2.83Å; S82-L84 VanDerWaalsContact O-N 3.07Å | ||
| 83 | V | 56.9 | Low | 57 | Low | 138 Ų | 138 | 131.4 Ų | 131.4 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -78.3 | 90.2 | 164.5 | -117.2 | 0 | 0 | 0 | 0 | 107.6 | E81 L85 | E81-V83 PolarHBondContact O-N 2.98Å; V83-L85 PolarHBondContact O-N 2.75Å | ||
| 84 | L | 53.7 | Low | 55.8 | Low | 146 Ų | 146 | 130.7 Ų | 130.7 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -67.7 | 105.9 | 156.2 | -62.6 | 178.4 | 0 | 0 | 0 | 106.3 | S82 V86 | S82-L84 VanDerWaalsContact C-N 3.32Å; S82-L84 PolarHBondContact O-N 2.83Å; S82-L84 VanDerWaalsContact O-N 3.07Å; L84-V86 VanDerWaalsContact C-N 3.27Å; L84-V86 PolarHBondContact O-N 2.86Å | ||
| 85 | L | 48.5 | Very low | 54.6 | Low | 175 Ų | 175 | 133.9 Ų | 133.9 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -65.2 | 94.4 | 163 | -90.5 | 141.7 | 0 | 0 | 0 | 107.2 | V83 D87 | V83-L85 PolarHBondContact O-N 2.75Å; L85-D87 PolarHBondContact O-N 3.24Å | ||
| 86 | V | 54.6 | Low | 54.2 | Low | 116 Ų | 116 | 136.1 Ų | 136.1 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | -78.4 | 112.3 | 165.9 | 176.8 | 0 | 0 | 0 | 0 | 106.8 | L84 E88 | L84-V86 VanDerWaalsContact C-N 3.27Å; L84-V86 PolarHBondContact O-N 2.86Å; V86-E88 PolarHBondContact O-N 3.38Å | ||
| 87 | D | 57.2 | Low | 53.3 | Low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -60.8 | 115.4 | 164.5 | 179.1 | 70.6 | 0 | 0 | 0 | 109.6 | L85 | L85-D87 PolarHBondContact O-N 3.24Š| ||
| 88 | E | 43.2 | Very low | 52.1 | Low | 182 Ų | 182 | 134.5 Ų | 134.5 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -159.5 | 107.8 | 161.8 | -152.3 | -177.2 | 100.2 | 0 | 0 | 109.9 | V86 | V86-E88 PolarHBondContact O-N 3.38Š| ||
| 89 | G | 39.2 | Very low | 51.7 | Low | 61 Ų | 61 | 134.3 Ų | 134.3 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | -96.2 | -159.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 90 | P | 58.8 | Low | 51.2 | Low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -116.3 | -169 | -57.9 | 43.4 | -29.7 | 0 | 0 | 0 | 109.1 | |||||
| 91 | P | 46.7 | Very low | 50.6 | Low | 131 Ų | 131 | 135.2 Ų | 135.2 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | -151.6 | 170.7 | 63.7 | 37.5 | -14.5 | 0 | 0 | 0 | 115.8 | |||||
| 92 | G | 39.2 | Very low | 50.6 | Low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | 157.2 | 68.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 93 | E | 42.3 | Very low | 50.4 | Low | 194 Ų | 194 | 139.6 Ų | 139.6 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | 32.1 | 102.6 | 140.7 | 61.3 | -159.6 | 135.2 | 0 | 0 | 121.2 | ||||
| 94 | S | 49.1 | Very low | 49.7 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -148.7 | 123.2 | 130.2 | 88 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 95 | Y | 49.4 | Very low | 49.5 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | -84 | 129.5 | -172 | 165.5 | -85.3 | 0 | 0 | 0 | 111.6 | L97 | Y95-L97 HydrophobicContact CD2-CD1 4.43Å; Y95-L97 HydrophobicContact CD2-CG 4.16Å; Y95-L97 HydrophobicContact CE2-CB 4.38Å; Y95-L97 HydrophobicContact CE2-CD1 3.41Å; Y95-L97 VanDerWaalsContact CE2-CD1 3.41Å; Y95-L97 HydrophobicContact CE2-CG 3.5Å | ||
| 96 | V | 58.9 | Low | 49.4 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -144.6 | 115.7 | 142.3 | -73.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 97 | L | 47.9 | Very low | 48.7 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 64% | 0.644 | 78% | 0.777 | S | S | * | * | trans | -87.3 | 154.9 | 162 | -62.5 | 176.4 | 0 | 0 | 0 | 107.4 | Y95 | Y95-L97 HydrophobicContact CD2-CD1 4.43Å; Y95-L97 HydrophobicContact CD2-CG 4.16Å; Y95-L97 HydrophobicContact CE2-CB 4.38Å; Y95-L97 HydrophobicContact CE2-CD1 3.41Å; Y95-L97 VanDerWaalsContact CE2-CD1 3.41Å; Y95-L97 HydrophobicContact CE2-CG 3.5Å | ||
| 98 | S | 46.3 | Very low | 48.2 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | -173.3 | 175.3 | 21.3 | -129.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 99 | S | 54.1 | Low | 48.6 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 100 | 131.9 | 160.4 | -69.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 100 | D | 54.4 | Low | 49 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | cis | -172.5 | 148.3 | -8.3 | 55.6 | -79.2 | 0 | 0 | 0 | 106.4 | ||||
| 101 | E | 50.3 | Low | 48.4 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | 74.6 | 118.4 | 158.8 | -42.5 | -170.6 | 133.1 | 0 | 0 | 122.5 | ||||
| 102 | D | 52.6 | Low | 48.5 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | 72.9 | 146.9 | 146.7 | -96 | -110.5 | 0 | 0 | 0 | 125.4 | ||||
| 103 | E | 55.3 | Low | 49.3 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -72.8 | 146 | -166.1 | -57.2 | -151.4 | 94 | 0 | 0 | 116.1 | ||||
| 104 | D | 41.8 | Very low | 49.9 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | -175.9 | 152.1 | 125.4 | -170 | 40.1 | 0 | 0 | 0 | 111.6 | |||||
| 105 | A | 50.7 | Low | 49.7 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 53% | 0.529 | 75% | 0.752 | S | S | . | * | trans | -59.3 | 158.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | T107 | A105-T107 PolarHBondContact O-N 3.19Š| ||
| 106 | P | 45.3 | Very low | 50.1 | Low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -80 | 112 | 176.9 | 32.2 | -32.1 | 0 | 0 | 0 | 111.2 | ||||
| 107 | T | 40.6 | Very low | 50.2 | Low | 121 Ų | 121 | 124.7 Ų | 124.7 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | -117.2 | 74.8 | 164.3 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | A105 V109 | A105-T107 PolarHBondContact O-N 3.19Å; T107-V109 VanDerWaalsContact C-N 3.26Å; T107-V109 PolarHBondContact O-N 3.47Å | ||
| 108 | V | 47.2 | Very low | 50.4 | Low | 114 Ų | 114 | 127 Ų | 127 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | -78 | 81.2 | 164.1 | -177.1 | 0 | 0 | 0 | 0 | 108 | Q110 | V108-Q110 VanDerWaalsContact C-N 3.27Å; V108-Q110 HydrophobicContact CG1-CB 4.17Å; V108-Q110 HydrophobicContact CG1-CG 3.65Å; V108-Q110 PolarHBondContact O-N 3.32Å | ||
| 109 | V | 50.2 | Low | 51.1 | Low | 138 Ų | 138 | 129 Ų | 129 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -89.6 | 74.2 | 160.1 | -75.4 | 0 | 0 | 0 | 0 | 108.3 | T107 A111 | T107-V109 VanDerWaalsContact C-N 3.26Å; T107-V109 PolarHBondContact O-N 3.47Å; V109-A111 PolarHBondContact O-N 2.95Å; V109-A111 VanDerWaalsContact O-N 3.15Å | ||
| 110 | Q | 47.3 | Very low | 51.3 | Low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -67.1 | 110.7 | 168.9 | -89.5 | 175.3 | -29.8 | 0 | 0 | 109.4 | V108 | V108-Q110 VanDerWaalsContact C-N 3.27Å; V108-Q110 HydrophobicContact CG1-CB 4.17Å; V108-Q110 HydrophobicContact CG1-CG 3.65Å; V108-Q110 PolarHBondContact O-N 3.32Å | ||
| 111 | A | 47.3 | Very low | 51.2 | Low | 78 Ų | 78 | 134.1 Ų | 134.1 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | trans | 40.7 | 100.8 | 148 | 0 | 0 | 0 | 0 | 0 | 116.3 | V109 I113 | V109-A111 PolarHBondContact O-N 2.95Å; V109-A111 VanDerWaalsContact O-N 3.15Å; A111-I113 PolarHBondContact O-N 3.49Å | ||
| 112 | A | 49.5 | Very low | 51.5 | Low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -55.8 | 92.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | T114 | A112-T114 VanDerWaalsContact C-N 3.27Å; A112-T114 PolarHBondContact O-N 3.13Å | ||
| 113 | I | 55.9 | Low | 51.3 | Low | 142 Ų | 142 | 129.3 Ų | 129.3 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | trans | -59 | 97.2 | 159.9 | 42.3 | 166 | 0 | 0 | 0 | 106.3 | A111 S115 | A111-I113 PolarHBondContact O-N 3.49Å; I113-S115 PolarHBondContact O-N 3.22Å | ||
| 114 | T | 53 | Low | 50.9 | Low | 121 Ų | 121 | 127.1 Ų | 127.1 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -66.3 | 82 | 163.8 | 38.7 | 0 | 0 | 0 | 0 | 106.8 | A112 T116 | A112-T114 VanDerWaalsContact C-N 3.27Å; A112-T114 PolarHBondContact O-N 3.13Å; T114-T116 PolarHBondContact O-N 3.45Å; T114-T116 PolarHBondContact O-OG1 2.88Å | ||
| 115 | S | 46.8 | Very low | 51.9 | Low | 91 Ų | 91 | 123.3 Ų | 123.3 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -59.4 | 83 | 171.1 | -67.4 | 0 | 0 | 0 | 0 | 108.9 | I113 A117 | I113-S115 PolarHBondContact O-N 3.22Å; S115-A117 PolarHBondContact O-N 3.06Å; S115-A117 VanDerWaalsContact O-N 3.1Å | ||
| 116 | T | 56.9 | Low | 53.5 | Low | 134 Ų | 134 | 124.1 Ų | 124.1 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -88.6 | 55.1 | 180 | -46.4 | 0 | 0 | 0 | 0 | 109.3 | T114 | T114-T116 PolarHBondContact O-N 3.45Å; T114-T116 PolarHBondContact O-OG1 2.88Å | ||
| 117 | A | 61.1 | Low | 55.7 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | trans | -148.7 | 67.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S115 | S115-A117 PolarHBondContact O-N 3.06Å; S115-A117 VanDerWaalsContact O-N 3.1Å | ||
| 118 | H | 51.8 | Low | 58.4 | Low | 170 Ų | 170 | 117.1 Ų | 117.1 | 79% | 0.787 | 70% | 0.703 | S | S | * | * | trans | -143.6 | 66.9 | 154.5 | -68.3 | -51.3 | 0 | 0 | 0 | 111.3 | S120 | H118-S120 PolarHBondContact O-N 2.64Š| ||
| 119 | T | 60.3 | Low | 60.8 | Low | 148 Ų | 148 | 111.7 Ų | 111.7 | 91% | 0.908 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 53.3 | 160.8 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 120 | S | 59.6 | Low | 63 | Low | 110 Ų | 110 | 108.5 Ų | 108.5 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154 | -6.6 | 179 | -55.1 | 0 | 0 | 0 | 0 | 116.3 | H118 | H118-S120 PolarHBondContact O-N 2.64Š|
| 121 | R | 52.6 | Low | 65.5 | Low | 227 Ų | 227 | 103.9 Ų | 103.9 | 86% | 0.857 | 64% | 0.636 | S | S | * | * | trans | -125.4 | 82.9 | 166.5 | -61.7 | -172.7 | -159.8 | -143.5 | 4.8 | 107.3 | T123 | R121-T123 VanDerWaalsContact C-N 3.33Å; R121-T123 PolarHBondContact O-N 2.7Å | ||
| 122 | L | 55.4 | Low | 67.9 | Low | 140 Ų | 140 | 102 Ų | 102 | 73% | 0.733 | 62% | 0.617 | S | S | * | * | trans | -51.7 | 113.5 | 154.4 | -65.6 | 174.5 | 0 | 0 | 0 | 104.1 | P124 | L122-P124 WeakPolarHBondContact O-CD 3.36Š| ||
| 123 | T | 48.4 | Very low | 70.1 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 63% | 0.632 | 61% | 0.611 | S | S | * | * | trans | -46.3 | 121.7 | 161.1 | 32.9 | 0 | 0 | 0 | 0 | 105.7 | R121 G125 L126 | R121-T123 VanDerWaalsContact C-N 3.33Å; R121-T123 PolarHBondContact O-N 2.7Å; T123-G125 PolarHBondContact O-N 3Å; T123-L126 PolarHBondContact O-N 2.91Å | ||
| 124 | P | 47.7 | Very low | 72.1 | Confident | 142 Ų | 142 | 98.6 Ų | 98.6 | 92% | 0.922 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 104.4 | 178.9 | -19.9 | 29.9 | 0 | 0 | 0 | 107 | L122 | L122-P124 WeakPolarHBondContact O-CD 3.36Š|
| 125 | G | 62.3 | Low | 74.1 | Confident | 79 Ų | 79 | 95.7 Ų | 95.7 | 81% | 0.814 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.9 | -15.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | T123 | T123-G125 PolarHBondContact O-N 3Š|
| 126 | L | 83.4 | Confident | 76.5 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 42% | 0.424 | 55% | 0.549 | S | S | . | . | trans | -129.1 | 100.2 | -178.2 | -159 | 61.5 | 0 | 0 | 0 | 113.2 | T123 L135 | T123-L126 PolarHBondContact O-N 2.91Å; L126-L135 HydrophobicContact CD1-CD2 3.8Å; L126-L135 HydrophobicContact CD1-CG 3.8Å; L126-L135 HydrophobicContact CD2-CD1 4.07Å; L126-L135 HydrophobicContact CD2-CD2 3.72Å; L126-L135 HydrophobicContact CD2-CG 3.82Å; L126-L135 HydrophobicContact CG-CD1 4.37Å; L126-L135 HydrophobicContact CG-CD2 4.1Å; L126-L135 HydrophobicContact CG-CG 3.84Å | ||
| 127 | I | 93 | Very high | 78.3 | Confident | 51 Ų | 51 | 91.6 Ų | 91.6 | 26% | 0.262 | 53% | 0.532 | S | S | . | . | trans | -77.3 | 129.3 | 171 | -70.6 | 157.2 | 0 | 0 | 0 | 108.4 | Y136 V146 V154 I187 | I127-Y136 PolarHBondContact O-N 3.02Å; I127-V146 HydrophobicContact CG2-CG1 3.85Å; I127-V146 HydrophobicContact CG2-CG2 4.16Å; I127-V154 HydrophobicContact CG2-CG1 4.21Å; I127-I187 HydrophobicContact CD1-CD1 3.27Å; I127-I187 HydrophobicContact CD1-CG2 4.36Å | ||
| 128 | S | 96.3 | Very high | 80 | Confident | 47 Ų | 47 | 92.5 Ų | 92.5 | 33% | 0.329 | 52% | 0.524 | S | S | . | . | B | Isolated β-bridge | trans | -136.3 | 156.6 | 174.5 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | D134 | S128-D134 CarbonylContact C-O 3.56Å; S128-D134 VanDerWaalsContact CA-O 3.27Å; S128-D134 WeakPolarHBondContact CA-O 3.47Å; S128-D134 WeakPolarHBondContact CB-O 3.4Å |
| 129 | C | 97.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 49% | 0.486 | C | S | . | . | trans | -89.5 | 120.3 | 172.7 | -180 | 0 | 0 | 0 | 0 | 110 | V131 C132 L133 D134 I139 C156 | C129-V131 PolarHBondContact O-N 3.45Å; C129-C132 VanDerWaalsContact CB-SG 3.55Å; C129-L133 WeakPolarHBondContact O-CA 3.46Å; C129-L133 PolarHBondContact O-N 3.07Å; C129-D134 PolarHBondContact N-O 3.14Å; C129-I139 HydrophobicContact CB-CD1 3.98Å; C129-C156 HydrophobicContact CB-CB 4.05Å; C129-C156 PolarHBondContact SG-N 3.13Å | ||
| 130 | P | 97.4 | Very high | 83.8 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -2.1 | -177.6 | 30.3 | -37.4 | 0 | 0 | 0 | 114.3 | V154 F155 | P130-V154 WeakPolarHBondContact CD-O 3.26Å; P130-F155 HydrophobicContact CG-CD1 3.7Å; P130-F155 HydrophobicContact CG-CE1 3.61Å |
| 131 | V | 98 | Very high | 85.6 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -50.2 | -178.7 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | C129 F155 C159 P171 | C129-V131 PolarHBondContact O-N 3.45Å; V131-F155 HydrophobicContact CG2-CD1 3.85Å; V131-F155 HydrophobicContact CG2-CE1 4.13Å; V131-C159 HydrophobicContact CB-CB 3.69Å; V131-C159 HydrophobicContact CG1-CB 3.73Å; V131-C159 HydrophobicContact CG2-CB 4.21Å; V131-P171 HydrophobicContact CG2-CB 4.26Å; V131-P171 HydrophobicContact CG2-CG 4.46Å |
| 132 | C | 98.1 | Very high | 87.7 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 26% | 0.264 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -9.3 | 176.2 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | C129 D134 | C129-C132 VanDerWaalsContact CB-SG 3.55Å; C132-D134 PolarHBondContact O-N 2.92Å; C132-D134 VanDerWaalsContact SG-CG 3.52Å; C132-D134 PolarHBondContact SG-OD2 3.31Å |
| 133 | L | 96.9 | Very high | 89.7 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 68% | 0.681 | 44% | 0.442 | S | S | * | . | trans | 66.2 | 3.8 | -175.8 | -50 | 178.1 | 0 | 0 | 0 | 115 | C129 | C129-L133 WeakPolarHBondContact O-CA 3.46Å; C129-L133 PolarHBondContact O-N 3.07Å | ||
| 134 | D | 97.2 | Very high | 92.1 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 20% | 0.198 | 42% | 0.42 | C | S | . | . | trans | -65.1 | 141.2 | 177.5 | -59.1 | -25.6 | 0 | 0 | 0 | 111.8 | S128 C129 C132 E138 I139 R144 | S128-D134 CarbonylContact C-O 3.56Å; S128-D134 VanDerWaalsContact CA-O 3.27Å; S128-D134 WeakPolarHBondContact CA-O 3.47Å; S128-D134 WeakPolarHBondContact CB-O 3.4Å; C129-D134 PolarHBondContact N-O 3.14Å; C132-D134 PolarHBondContact O-N 2.92Å; C132-D134 VanDerWaalsContact SG-CG 3.52Å; C132-D134 PolarHBondContact SG-OD2 3.31Å; D134-E138 WeakPolarHBondContact CA-OE2 3.43Å; D134-E138 HydrophobicContact CB-CB 4.14Å; D134-I139 HydrophobicContact CB-CD1 4.41Å; D134-I139 HydrophobicContact CB-CG1 3.8Å; D134-R144 IonicContact OD2-CZ 3.38Å; D134-R144 IonicContact OD2-NH1 3.45Å; D134-R144 PolarHBondContact OD2-NH1 3.43Å; D134-R144 IonicContact OD2-NH2 2.64Å; D134-R144 PolarHBondContact OD2-NH2 3.13Å | ||
| 135 | L | 96 | Very high | 94.5 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 32% | 0.319 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -78.5 | 164.5 | 172.9 | -104.1 | 56.6 | 0 | 0 | 0 | 112.1 | L126 S137 E138 I139 | L126-L135 HydrophobicContact CD1-CD2 3.8Å; L126-L135 HydrophobicContact CD1-CG 3.8Å; L126-L135 HydrophobicContact CD2-CD1 4.07Å; L126-L135 HydrophobicContact CD2-CD2 3.72Å; L126-L135 HydrophobicContact CD2-CG 3.82Å; L126-L135 HydrophobicContact CG-CD1 4.37Å; L126-L135 HydrophobicContact CG-CD2 4.1Å; L126-L135 HydrophobicContact CG-CG 3.84Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.04Å; L135-E138 PolarHBondContact N-OE2 2.91Å; L135-E138 PolarHBondContact O-N 2.9Å; L135-E138 VanDerWaalsContact O-N 3.13Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.23Å; L135-I139 PolarHBondContact O-N 3.16Å |
| 136 | Y | 95.4 | Very high | 96.2 | Very high | 73 Ų | 73 | 63 Ų | 63 | 29% | 0.286 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -47.3 | -48.5 | 175.6 | -179.7 | -105.1 | 0 | 0 | 0 | 113.1 | I127 E138 I139 V140 V146 I187 | I127-Y136 PolarHBondContact O-N 3.02Å; Y136-E138 PolarHBondContact O-N 3.04Å; Y136-I139 PolarHBondContact O-N 3.47Å; Y136-V140 HydrophobicContact CD1-CG2 4.5Å; Y136-V140 HydrophobicContact CD2-CG2 4.24Å; Y136-V140 HydrophobicContact CE1-CG2 4.1Å; Y136-V140 HydrophobicContact CE2-CG2 3.78Å; Y136-V140 WeakPolarHBondContact O-CG2 3.16Å; Y136-V140 PolarHBondContact O-N 3.02Å; Y136-V146 HydrophobicContact CD2-CG2 3.7Å; Y136-V146 HydrophobicContact CE2-CG2 4.03Å; Y136-I187 HydrophobicContact CD1-CD1 4.47Å; Y136-I187 HydrophobicContact CD2-CD1 3.65Å; Y136-I187 HydrophobicContact CD2-CG1 4.38Å; Y136-I187 HydrophobicContact CE1-CD1 4.24Å; Y136-I187 HydrophobicContact CE1-CG1 4.37Å; Y136-I187 HydrophobicContact CE2-CD1 3.4Å; Y136-I187 VanDerWaalsContact CE2-CD1 3.4Å; Y136-I187 HydrophobicContact CE2-CG1 3.62Å; Y136-I187 HydrophobicContact CG-CD1 4.19Å |
| 137 | S | 94.5 | Very high | 96.9 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 180 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | L135 I139 V140 E141 | L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.04Å; S137-I139 VanDerWaalsContact C-N 3.33Å; S137-I139 PolarHBondContact O-N 3.27Å; S137-V140 PolarHBondContact O-N 3.34Å; S137-E141 VanDerWaalsContact O-CB 3.32Å; S137-E141 WeakPolarHBondContact O-CB 3.23Å; S137-E141 VanDerWaalsContact O-CG 3.23Å; S137-E141 WeakPolarHBondContact O-CG 3.32Å; S137-E141 PolarHBondContact O-N 3.02Å |
| 138 | E | 97 | Very high | 97.1 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | -179.4 | -62.9 | 167.9 | 166.2 | 0 | 0 | 112.1 | D134 L135 Y136 S142 | D134-E138 WeakPolarHBondContact CA-OE2 3.43Å; D134-E138 HydrophobicContact CB-CB 4.14Å; L135-E138 PolarHBondContact N-OE2 2.91Å; L135-E138 PolarHBondContact O-N 2.9Å; L135-E138 VanDerWaalsContact O-N 3.13Å; Y136-E138 PolarHBondContact O-N 3.04Å; E138-S142 WeakPolarHBondContact O-CB 3.41Å; E138-S142 PolarHBondContact O-N 3.48Å; E138-S142 VanDerWaalsContact O-N 3.14Å; E138-S142 PolarHBondContact O-OG 2.99Å |
| 139 | I | 97.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.4 | -66.8 | 165.9 | 0 | 0 | 0 | 110.3 | C129 D134 L135 Y136 S137 S142 R144 V146 C156 | C129-I139 HydrophobicContact CB-CD1 3.98Å; D134-I139 HydrophobicContact CB-CD1 4.41Å; D134-I139 HydrophobicContact CB-CG1 3.8Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.23Å; L135-I139 PolarHBondContact O-N 3.16Å; Y136-I139 PolarHBondContact O-N 3.47Å; S137-I139 VanDerWaalsContact C-N 3.33Å; S137-I139 PolarHBondContact O-N 3.27Å; I139-S142 PolarHBondContact O-OG 3.06Å; I139-R144 HydrophobicContact CG2-CB 3.84Å; I139-R144 WeakPolarHBondContact O-CA 3.31Å; I139-R144 WeakPolarHBondContact O-CB 3.43Å; I139-R144 PolarHBondContact O-N 3.01Å; I139-V146 HydrophobicContact CD1-CG2 4.26Å; I139-V146 HydrophobicContact CG2-CG2 4.07Å; I139-C156 HydrophobicContact CD1-CB 3.98Å; I139-C156 HydrophobicContact CG1-CB 4.03Å; I139-C156 HydrophobicContact CG2-CB 3.92Å |
| 140 | V | 95.5 | Very high | 97.2 | Very high | 73 Ų | 73 | 63 Ų | 63 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.9 | -41.3 | -177.9 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | Y136 S137 S142 G143 | Y136-V140 HydrophobicContact CD1-CG2 4.5Å; Y136-V140 HydrophobicContact CD2-CG2 4.24Å; Y136-V140 HydrophobicContact CE1-CG2 4.1Å; Y136-V140 HydrophobicContact CE2-CG2 3.78Å; Y136-V140 WeakPolarHBondContact O-CG2 3.16Å; Y136-V140 PolarHBondContact O-N 3.02Å; S137-V140 PolarHBondContact O-N 3.34Å; V140-S142 PolarHBondContact O-N 3Å; V140-G143 WeakPolarHBondContact O-CA 3.27Å; V140-G143 PolarHBondContact O-N 3.39Å |
| 141 | E | 97.2 | Very high | 97.2 | Very high | 162 Ų | 162 | 61 Ų | 61 | 76% | 0.757 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.5 | -35.8 | 176.8 | -76.7 | 171.5 | -158 | 0 | 0 | 112.3 | S137 G143 | S137-E141 VanDerWaalsContact O-CB 3.32Å; S137-E141 WeakPolarHBondContact O-CB 3.23Å; S137-E141 VanDerWaalsContact O-CG 3.23Å; S137-E141 WeakPolarHBondContact O-CG 3.32Å; S137-E141 PolarHBondContact O-N 3.02Å; E141-G143 PolarHBondContact O-N 2.85Å |
| 142 | S | 97.5 | Very high | 97.2 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2 | 174.3 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | E138 I139 V140 R144 | E138-S142 WeakPolarHBondContact O-CB 3.41Å; E138-S142 PolarHBondContact O-N 3.48Å; E138-S142 VanDerWaalsContact O-N 3.14Å; E138-S142 PolarHBondContact O-OG 2.99Å; I139-S142 PolarHBondContact O-OG 3.06Å; V140-S142 PolarHBondContact O-N 3Å; S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.24Å; S142-R144 VanDerWaalsContact OG-CZ 3.32Å; S142-R144 PolarHBondContact OG-NE 3.47Å; S142-R144 PolarHBondContact OG-NH2 3.19Å |
| 143 | G | 97.2 | Very high | 97.2 | Very high | 66 Ų | 66 | 60.6 Ų | 60.6 | 68% | 0.68 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 15.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V140 E141 | V140-G143 WeakPolarHBondContact O-CA 3.27Å; V140-G143 PolarHBondContact O-N 3.39Å; E141-G143 PolarHBondContact O-N 2.85Å |
| 144 | R | 97.9 | Very high | 97.2 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 19% | 0.185 | 32% | 0.321 | C | S | . | . | trans | -88.4 | 161.3 | 173.9 | -65.8 | 176.3 | -65 | -170 | 5.1 | 109.7 | D134 I139 S142 Q158 | D134-R144 IonicContact OD2-CZ 3.38Å; D134-R144 IonicContact OD2-NH1 3.45Å; D134-R144 PolarHBondContact OD2-NH1 3.43Å; D134-R144 IonicContact OD2-NH2 2.64Å; D134-R144 PolarHBondContact OD2-NH2 3.13Å; I139-R144 HydrophobicContact CG2-CB 3.84Å; I139-R144 WeakPolarHBondContact O-CA 3.31Å; I139-R144 WeakPolarHBondContact O-CB 3.43Å; I139-R144 PolarHBondContact O-N 3.01Å; S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.24Å; S142-R144 VanDerWaalsContact OG-CZ 3.32Å; S142-R144 PolarHBondContact OG-NE 3.47Å; S142-R144 PolarHBondContact OG-NH2 3.19Å; R144-Q158 VanDerWaalsContact CD-OE1 3.24Å; R144-Q158 HydrophobicContact CG-CB 4.47Å | ||
| 145 | L | 97.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 41% | 0.414 | 31% | 0.312 | S | S | . | . | trans | -107.6 | 143.4 | 179 | -59.8 | 174.7 | 0 | 0 | 0 | 109.2 | V147 C156 S157 P184 | L145-V147 HydrophobicContact CB-CG1 4.38Å; L145-C156 CarbonylContact O-C 3.53Å; L145-C156 WeakPolarHBondContact O-CA 3.32Å; L145-S157 PolarHBondContact N-OG 2.93Å; L145-S157 VanDerWaalsContact N-OG 3.17Å; L145-S157 WeakPolarHBondContact O-CB 3.31Å; L145-S157 PolarHBondContact O-N 3.04Å; L145-P184 HydrophobicContact CD1-CB 4.23Å | ||
| 146 | V | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133 | 160.3 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | I127 Y136 I139 V154 P184 L185 | I127-V146 HydrophobicContact CG2-CG1 3.85Å; I127-V146 HydrophobicContact CG2-CG2 4.16Å; Y136-V146 HydrophobicContact CD2-CG2 3.7Å; Y136-V146 HydrophobicContact CE2-CG2 4.03Å; I139-V146 HydrophobicContact CD1-CG2 4.26Å; I139-V146 HydrophobicContact CG2-CG2 4.07Å; V146-V154 HydrophobicContact CG1-CG1 3.42Å; V146-V154 VanDerWaalsContact CG1-CG1 3.42Å; V146-P184 CarbonylContact O-C 3.45Å; V146-P184 WeakPolarHBondContact O-CA 3.42Å; V146-L185 HydrophobicContact CG1-CB 4.24Å; V146-L185 HydrophobicContact CG1-CD1 4.08Å; V146-L185 HydrophobicContact CG1-CG 4.48Å; V146-L185 PolarHBondContact O-N 3.39Å |
| 147 | V | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.9 | -178.8 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | L145 V154 F155 L160 Y182 H183 | L145-V147 HydrophobicContact CB-CG1 4.38Å; V147-V154 VanDerWaalsContact O-CA 3.31Å; V147-V154 WeakPolarHBondContact O-CA 3.34Å; V147-F155 HydrophobicContact CG2-CB 4.41Å; V147-F155 VanDerWaalsContact CG2-O 3.31Å; V147-F155 WeakPolarHBondContact CG2-O 3.49Å; V147-F155 PolarHBondContact N-O 2.85Å; V147-F155 PolarHBondContact O-N 3.13Å; V147-L160 HydrophobicContact CG2-CB 4.16Å; V147-L160 HydrophobicContact CG2-CD2 3.63Å; V147-Y182 HydrophobicContact CB-CD2 3.97Å; V147-Y182 HydrophobicContact CG1-CD2 4.03Å; V147-Y182 HydrophobicContact CG1-CE2 4.24Å; V147-Y182 HydrophobicContact CG2-CD2 4.28Å; V147-H183 CarbonylContact C-O 3.57Å; V147-H183 VanDerWaalsContact CA-O 3.24Å; V147-H183 WeakPolarHBondContact CA-O 3.42Å; V147-H183 WeakPolarHBondContact CB-O 3.5Å |
| 148 | S | 98 | Very high | 97.7 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.7 | 169.3 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | Y182 H183 | S148-Y182 CarbonylContact O-C 3.42Å; S148-Y182 WeakPolarHBondContact O-CA 3.35Å; S148-Y182 VanDerWaalsContact O-CB 3.27Å; S148-Y182 WeakPolarHBondContact O-CB 3.31Å; S148-H183 PolarHBondContact N-O 3.34Å; S148-H183 PolarHBondContact O-N 3.48Å |
| 149 | T | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 157.5 | 173.3 | 58 | 0 | 0 | 0 | 0 | 110.6 | C151 G152 H153 F155 L160 L177 | T149-C151 PolarHBondContact O-N 3.42Å; T149-C151 PolarHBondContact OG1-SG 3.46Å; T149-G152 PolarHBondContact O-N 3.41Å; T149-H153 PolarHBondContact N-O 3.17Å; T149-H153 PolarHBondContact OG1-N 2.88Å; T149-H153 PolarHBondContact OG1-O 2.91Å; T149-F155 HydrophobicContact CG2-CD2 4.11Å; T149-F155 HydrophobicContact CG2-CE2 3.93Å; T149-L160 HydrophobicContact CG2-CD1 4Å; T149-L160 HydrophobicContact CG2-CD2 3.76Å; T149-L177 HydrophobicContact CG2-CD1 4.22Å; T149-L177 HydrophobicContact CG2-CD2 3.52Å |
| 150 | K | 97.7 | Very high | 97.9 | Very high | 155 Ų | 155 | 46.8 Ų | 46.8 | 67% | 0.674 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.7 | 171.6 | -76.3 | -171.7 | -176.7 | -171.9 | 0 | 113.8 | G152 Q181 | K150-G152 VanDerWaalsContact C-N 3.34Å; K150-Q181 HydrophobicContact CD-CB 3.97Å; K150-Q181 HydrophobicContact CD-CG 3.93Å; K150-Q181 HydrophobicContact CG-CB 4.19Å; K150-Q181 WeakPolarHBondContact CG-O 3.4Å; K150-Q181 PolarHBondContact N-O 2.96Å |
| 151 | C | 98.1 | Very high | 98 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.2 | 173.9 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | T149 C170 C173 K175 | T149-C151 PolarHBondContact O-N 3.42Å; T149-C151 PolarHBondContact OG1-SG 3.46Å; C151-C170 VanDerWaalsContact SG-SG 3.62Å; C151-C173 VanDerWaalsContact SG-SG 3.62Å; C151-K175 HydrophobicContact CB-CB 4.49Å; C151-K175 HydrophobicContact CB-CD 4.04Å |
| 152 | G | 97 | Very high | 98 | Very high | 53 Ų | 53 | 47 Ų | 47 | 55% | 0.546 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 89.9 | -4.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T149 K150 | T149-G152 PolarHBondContact O-N 3.41Å; K150-G152 VanDerWaalsContact C-N 3.34Å |
| 153 | H | 98 | Very high | 98 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | trans | -85.2 | 140.7 | 178.9 | -61.3 | 101 | 0 | 0 | 0 | 111.7 | T149 F155 T172 C173 | T149-H153 PolarHBondContact N-O 3.17Å; T149-H153 PolarHBondContact OG1-N 2.88Å; T149-H153 PolarHBondContact OG1-O 2.91Å; H153-F155 HydrophobicContact CB-CE2 3.55Å; H153-F155 HydrophobicContact CB-CZ 3.75Å; H153-T172 WeakPolarHBondContact CD2-CB 3.4Å; H153-T172 WeakPolarHBondContact CD2-CG2 3.2Å; H153-T172 WeakPolarHBondContact NE2-CG2 3.34Å; H153-C173 WeakPolarHBondContact CE1-CB 3.43Å; H153-C173 PolarHBondContact CE1-SG 2.76Å; H153-C173 PolarHBondContact ND1-SG 2.91Å; H153-C173 VanDerWaalsContact ND1-SG 3.41Å | ||
| 154 | V | 97.9 | Very high | 98 | Very high | 45 Ų | 45 | 42 Ų | 42 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.8 | -173.5 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | I127 P130 V146 V147 L185 | I127-V154 HydrophobicContact CG2-CG1 4.21Å; P130-V154 WeakPolarHBondContact CD-O 3.26Å; V146-V154 HydrophobicContact CG1-CG1 3.42Å; V146-V154 VanDerWaalsContact CG1-CG1 3.42Å; V147-V154 VanDerWaalsContact O-CA 3.31Å; V147-V154 WeakPolarHBondContact O-CA 3.34Å; V154-L185 HydrophobicContact CG1-CD1 4.27Å; V154-L185 HydrophobicContact CG2-CD1 4.11Å |
| 155 | F | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 172.1 | 179.5 | -52.3 | -84.6 | 0 | 0 | 0 | 110.4 | P130 V131 V147 T149 H153 L160 P171 T172 | P130-F155 HydrophobicContact CG-CD1 3.7Å; P130-F155 HydrophobicContact CG-CE1 3.61Å; V131-F155 HydrophobicContact CG2-CD1 3.85Å; V131-F155 HydrophobicContact CG2-CE1 4.13Å; V147-F155 HydrophobicContact CG2-CB 4.41Å; V147-F155 VanDerWaalsContact CG2-O 3.31Å; V147-F155 WeakPolarHBondContact CG2-O 3.49Å; V147-F155 PolarHBondContact N-O 2.85Å; V147-F155 PolarHBondContact O-N 3.13Å; T149-F155 HydrophobicContact CG2-CD2 4.11Å; T149-F155 HydrophobicContact CG2-CE2 3.93Å; H153-F155 HydrophobicContact CB-CE2 3.55Å; H153-F155 HydrophobicContact CB-CZ 3.75Å; F155-L160 HydrophobicContact CB-CB 4.13Å; F155-L160 HydrophobicContact CD2-CD1 3.85Å; F155-L160 HydrophobicContact CD2-CD2 4.4Å; F155-L160 HydrophobicContact CD2-CG 4.49Å; F155-L160 HydrophobicContact CE2-CD1 4.16Å; F155-L160 HydrophobicContact CG-CD1 4.45Å; F155-P171 HydrophobicContact CD1-CG 4.47Å; F155-P171 HydrophobicContact CE1-CB 3.76Å; F155-P171 HydrophobicContact CE1-CG 3.89Å; F155-P171 HydrophobicContact CZ-CB 3.96Å; F155-P171 HydrophobicContact CZ-CG 3.95Å; F155-T172 WeakPolarHBondContact CE1-OG1 3.33Å; F155-T172 WeakPolarHBondContact CZ-OG1 3.39Å |
| 156 | C | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 154.8 | 160.9 | 79.4 | 0 | 0 | 0 | 0 | 110.5 | C129 I139 L145 Q158 C159 L160 | C129-C156 HydrophobicContact CB-CB 4.05Å; C129-C156 PolarHBondContact SG-N 3.13Å; I139-C156 HydrophobicContact CD1-CB 3.98Å; I139-C156 HydrophobicContact CG1-CB 4.03Å; I139-C156 HydrophobicContact CG2-CB 3.92Å; L145-C156 CarbonylContact O-C 3.53Å; L145-C156 WeakPolarHBondContact O-CA 3.32Å; C156-Q158 PolarHBondContact O-N 3.14Å; C156-C159 PolarHBondContact O-N 3.49Å; C156-C159 PolarHBondContact SG-N 3.03Å; C156-C159 PolarHBondContact SG-SG 2.82Å; C156-L160 PolarHBondContact O-N 3.06Å |
| 157 | S | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 12% | 0.119 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -28.1 | -174.2 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | L145 R161 | L145-S157 PolarHBondContact N-OG 2.93Å; L145-S157 VanDerWaalsContact N-OG 3.17Å; L145-S157 WeakPolarHBondContact O-CB 3.31Å; L145-S157 PolarHBondContact O-N 3.04Å; S157-R161 WeakPolarHBondContact O-CB 3.33Å; S157-R161 PolarHBondContact O-N 3.05Å |
| 158 | Q | 98.5 | Very high | 97.7 | Very high | 93 Ų | 93 | 53.9 Ų | 53.9 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.2 | -56.8 | 178.3 | -173.5 | 169.8 | 26.5 | 0 | 0 | 110.9 | R144 C156 L160 R161 D162 | R144-Q158 VanDerWaalsContact CD-OE1 3.24Å; R144-Q158 HydrophobicContact CG-CB 4.47Å; C156-Q158 PolarHBondContact O-N 3.14Å; Q158-L160 VanDerWaalsContact C-N 3.29Å; Q158-L160 PolarHBondContact O-N 2.97Å; Q158-R161 WeakPolarHBondContact O-CB 3.34Å; Q158-R161 PolarHBondContact O-N 3.31Å; Q158-D162 VanDerWaalsContact O-CG 3.3Å; Q158-D162 PolarHBondContact O-N 3.07Å |
| 159 | C | 98.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -39.4 | -179 | -69.7 | 0 | 0 | 0 | 0 | 113 | V131 C156 D162 A163 | V131-C159 HydrophobicContact CB-CB 3.69Å; V131-C159 HydrophobicContact CG1-CB 3.73Å; V131-C159 HydrophobicContact CG2-CB 4.21Å; C156-C159 PolarHBondContact O-N 3.49Å; C156-C159 PolarHBondContact SG-N 3.03Å; C156-C159 PolarHBondContact SG-SG 2.82Å; C159-D162 PolarHBondContact O-N 3.21Å; C159-A163 WeakPolarHBondContact O-CB 3.37Å; C159-A163 PolarHBondContact O-N 2.62Å |
| 160 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 176.8 | -173.5 | 60.4 | 0 | 0 | 0 | 112.1 | V147 T149 F155 C156 Q158 L164 L177 Y182 | V147-L160 HydrophobicContact CG2-CB 4.16Å; V147-L160 HydrophobicContact CG2-CD2 3.63Å; T149-L160 HydrophobicContact CG2-CD1 4Å; T149-L160 HydrophobicContact CG2-CD2 3.76Å; F155-L160 HydrophobicContact CB-CB 4.13Å; F155-L160 HydrophobicContact CD2-CD1 3.85Å; F155-L160 HydrophobicContact CD2-CD2 4.4Å; F155-L160 HydrophobicContact CD2-CG 4.49Å; F155-L160 HydrophobicContact CE2-CD1 4.16Å; F155-L160 HydrophobicContact CG-CD1 4.45Å; C156-L160 PolarHBondContact O-N 3.06Å; Q158-L160 VanDerWaalsContact C-N 3.29Å; Q158-L160 PolarHBondContact O-N 2.97Å; L160-L164 HydrophobicContact CG-CD1 4.35Å; L160-L164 WeakPolarHBondContact O-CB 3.28Å; L160-L164 VanDerWaalsContact O-CG 3.28Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 2.86Å; L160-L177 HydrophobicContact CD1-CD2 3.74Å; L160-L177 HydrophobicContact CD2-CD2 4.46Å; L160-L177 HydrophobicContact CG-CD2 4.46Å; L160-Y182 HydrophobicContact CD2-CD1 3.73Å; L160-Y182 HydrophobicContact CD2-CD2 3.81Å; L160-Y182 HydrophobicContact CD2-CE1 4.29Å; L160-Y182 HydrophobicContact CD2-CE2 4.39Å; L160-Y182 HydrophobicContact CD2-CG 3.45Å; L160-Y182 VanDerWaalsContact CD2-CG 3.45Å; L160-Y182 HydrophobicContact CG-CD1 4.43Å |
| 161 | R | 98.1 | Very high | 97.7 | Very high | 149 Ų | 149 | 50 Ų | 50 | 56% | 0.562 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 177.7 | -172.3 | -174.3 | -56.2 | -175.9 | 2.4 | 111.5 | S157 Q158 L164 T165 | S157-R161 WeakPolarHBondContact O-CB 3.33Å; S157-R161 PolarHBondContact O-N 3.05Å; Q158-R161 WeakPolarHBondContact O-CB 3.34Å; Q158-R161 PolarHBondContact O-N 3.31Å; R161-L164 PolarHBondContact O-N 2.89Å; R161-T165 PolarHBondContact O-N 2.86Å; R161-T165 PolarHBondContact O-OG1 3.22Å |
| 162 | D | 98.1 | Very high | 97.7 | Very high | 89 Ų | 89 | 52 Ų | 52 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 179.5 | -61 | -21.7 | 0 | 0 | 0 | 110.7 | Q158 C159 L164 T165 S166 | Q158-D162 VanDerWaalsContact O-CG 3.3Å; Q158-D162 PolarHBondContact O-N 3.07Å; C159-D162 PolarHBondContact O-N 3.21Å; D162-L164 VanDerWaalsContact C-N 3.32Å; D162-L164 PolarHBondContact O-N 2.94Å; D162-T165 WeakPolarHBondContact O-CB 3.12Å; D162-T165 PolarHBondContact O-N 2.94Å; D162-S166 PolarHBondContact O-N 2.65Å |
| 163 | A | 97.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C159 T165 S166 S167 P171 | C159-A163 WeakPolarHBondContact O-CB 3.37Å; C159-A163 PolarHBondContact O-N 2.62Å; A163-T165 VanDerWaalsContact C-N 3.26Å; A163-T165 PolarHBondContact O-N 3Å; A163-S166 PolarHBondContact O-N 3.1Å; A163-S166 PolarHBondContact O-OG 2.74Å; A163-S166 VanDerWaalsContact O-OG 3.07Å; A163-S167 PolarHBondContact O-N 2.78Å; A163-S167 PolarHBondContact O-OG 3.03Å; A163-P171 HydrophobicContact CB-CG 3.67Å |
| 164 | L | 97.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.2 | -22.3 | 175.1 | -75.5 | -178.9 | 0 | 0 | 0 | 113.1 | L160 R161 D162 H168 L177 Y182 | L160-L164 HydrophobicContact CG-CD1 4.35Å; L160-L164 WeakPolarHBondContact O-CB 3.28Å; L160-L164 VanDerWaalsContact O-CG 3.28Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 2.86Å; R161-L164 PolarHBondContact O-N 2.89Å; D162-L164 VanDerWaalsContact C-N 3.32Å; D162-L164 PolarHBondContact O-N 2.94Å; L164-H168 PolarHBondContact O-CE1 2.9Å; L164-H168 PolarHBondContact O-ND1 3.2Å; L164-L177 HydrophobicContact CD1-CD2 4.21Å; L164-L177 HydrophobicContact CD2-CB 3.82Å; L164-L177 HydrophobicContact CD2-CD2 3.86Å; L164-L177 HydrophobicContact CD2-CG 3.95Å; L164-L177 WeakPolarHBondContact CD2-O 3.22Å; L164-L177 HydrophobicContact CG-CD2 4.3Å; L164-Y182 HydrophobicContact CD1-CD1 3.93Å; L164-Y182 HydrophobicContact CD1-CE1 3.65Å |
| 165 | T | 97.3 | Very high | 97.7 | Very high | 111 Ų | 111 | 63.8 Ų | 63.8 | 68% | 0.681 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75.3 | -30.2 | 173.6 | -56 | 0 | 0 | 0 | 0 | 111.2 | R161 D162 A163 | R161-T165 PolarHBondContact O-N 2.86Å; R161-T165 PolarHBondContact O-OG1 3.22Å; D162-T165 WeakPolarHBondContact O-CB 3.12Å; D162-T165 PolarHBondContact O-N 2.94Å; A163-T165 VanDerWaalsContact C-N 3.26Å; A163-T165 PolarHBondContact O-N 3Å |
| 166 | S | 95.8 | Very high | 97.7 | Very high | 98 Ų | 98 | 73.7 Ų | 73.7 | 69% | 0.685 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -93.5 | -41.9 | -177.4 | 63.4 | 0 | 0 | 0 | 0 | 114.8 | D162 A163 | D162-S166 PolarHBondContact O-N 2.65Å; A163-S166 PolarHBondContact O-N 3.1Å; A163-S166 PolarHBondContact O-OG 2.74Å; A163-S166 VanDerWaalsContact O-OG 3.07Å |
| 167 | S | 95.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 74 Ų | 74 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | -11.4 | -166.5 | 69.5 | 0 | 0 | 0 | 0 | 115.9 | A163 T169 | A163-S167 PolarHBondContact O-N 2.78Å; A163-S167 PolarHBondContact O-OG 3.03Å; S167-T169 WeakPolarHBondContact O-CG2 3.27Å; S167-T169 PolarHBondContact O-N 3.29Å; S167-T169 PolarHBondContact OG-OG1 2.95Å; S167-T169 VanDerWaalsContact OG-OG1 3.05Å |
| 168 | H | 96.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 76.1 Ų | 76.1 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 48.4 | 31.7 | -173.4 | -60.8 | -68.4 | 0 | 0 | 0 | 114.3 | L164 L177 | L164-H168 PolarHBondContact O-CE1 2.9Å; L164-H168 PolarHBondContact O-ND1 3.2Å; H168-L177 CarbonylContact C-O 3.53Å; H168-L177 PolarHBondContact O-N 3.23Å; H168-L177 VanDerWaalsContact O-O 3.07Å |
| 169 | T | 97.9 | Very high | 97.2 | Very high | 38 Ų | 38 | 75.9 Ų | 75.9 | 23% | 0.233 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -132.6 | 154.5 | 178.9 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | S167 R174 K175 | S167-T169 WeakPolarHBondContact O-CG2 3.27Å; S167-T169 PolarHBondContact O-N 3.29Å; S167-T169 PolarHBondContact OG-OG1 2.95Å; S167-T169 VanDerWaalsContact OG-OG1 3.05Å; T169-R174 WeakPolarHBondContact CB-O 3.18Å; T169-R174 WeakPolarHBondContact CG2-O 3.17Å; T169-K175 WeakPolarHBondContact CA-O 3.5Å |
| 170 | C | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 43% | 0.428 | C | S | . | . | trans | -64.9 | 128.3 | 173.4 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | C151 T172 R174 K175 | C151-C170 VanDerWaalsContact SG-SG 3.62Å; C170-T172 PolarHBondContact O-N 2.95Å; C170-T172 VanDerWaalsContact O-N 3.13Å; C170-T172 PolarHBondContact SG-N 3.21Å; C170-R174 WeakPolarHBondContact O-CA 3.41Å; C170-R174 PolarHBondContact O-N 3.22Å; C170-K175 PolarHBondContact N-O 2.96Å | ||
| 171 | P | 97.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 88.7 Ų | 88.7 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.5 | 177.8 | -26.5 | 33.9 | 0 | 0 | 0 | 114.7 | V131 F155 A163 | V131-P171 HydrophobicContact CG2-CB 4.26Å; V131-P171 HydrophobicContact CG2-CG 4.46Å; F155-P171 HydrophobicContact CD1-CG 4.47Å; F155-P171 HydrophobicContact CE1-CB 3.76Å; F155-P171 HydrophobicContact CE1-CG 3.89Å; F155-P171 HydrophobicContact CZ-CB 3.96Å; F155-P171 HydrophobicContact CZ-CG 3.95Å; A163-P171 HydrophobicContact CB-CG 3.67Å |
| 172 | T | 97.8 | Very high | 96.9 | Very high | 73 Ų | 73 | 84.3 Ų | 84.3 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -53.2 | -177.2 | -49.6 | 0 | 0 | 0 | 0 | 112.8 | H153 F155 C170 | H153-T172 WeakPolarHBondContact CD2-CB 3.4Å; H153-T172 WeakPolarHBondContact CD2-CG2 3.2Å; H153-T172 WeakPolarHBondContact NE2-CG2 3.34Å; F155-T172 WeakPolarHBondContact CE1-OG1 3.33Å; F155-T172 WeakPolarHBondContact CZ-OG1 3.39Å; C170-T172 PolarHBondContact O-N 2.95Å; C170-T172 VanDerWaalsContact O-N 3.13Å; C170-T172 PolarHBondContact SG-N 3.21Å |
| 173 | C | 98.1 | Very high | 96.9 | Very high | 55 Ų | 55 | 84.8 Ų | 84.8 | 37% | 0.372 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 1.9 | -174.4 | 68.7 | 0 | 0 | 0 | 0 | 115 | C151 H153 K175 | C151-C173 VanDerWaalsContact SG-SG 3.62Å; H153-C173 WeakPolarHBondContact CE1-CB 3.43Å; H153-C173 PolarHBondContact CE1-SG 2.76Å; H153-C173 PolarHBondContact ND1-SG 2.91Å; H153-C173 VanDerWaalsContact ND1-SG 3.41Å; C173-K175 PolarHBondContact O-N 3.42Å |
| 174 | R | 97 | Very high | 96.9 | Very high | 206 Ų | 206 | 86.3 Ų | 86.3 | 78% | 0.777 | 43% | 0.433 | S | S | * | . | trans | 58.7 | 7.2 | -180 | -53.9 | 179.4 | -177.7 | 167.8 | 0.3 | 115.4 | T169 C170 R176 | T169-R174 WeakPolarHBondContact CB-O 3.18Å; T169-R174 WeakPolarHBondContact CG2-O 3.17Å; C170-R174 WeakPolarHBondContact O-CA 3.41Å; C170-R174 PolarHBondContact O-N 3.22Å; R174-R176 PolarHBondContact O-N 3.07Å | ||
| 175 | K | 98.3 | Very high | 96.8 | Very high | 137 Ų | 137 | 88.2 Ų | 88.2 | 60% | 0.596 | 44% | 0.443 | S | S | * | . | trans | -59.1 | 137.5 | 172.2 | -171.8 | 173 | -70.6 | -178.9 | 0 | 109.3 | C151 T169 C170 C173 L177 | C151-K175 HydrophobicContact CB-CB 4.49Å; C151-K175 HydrophobicContact CB-CD 4.04Å; T169-K175 WeakPolarHBondContact CA-O 3.5Å; C170-K175 PolarHBondContact N-O 2.96Å; C173-K175 PolarHBondContact O-N 3.42Å; K175-L177 PolarHBondContact O-N 3.15Å | ||
| 176 | R | 97.7 | Very high | 96.7 | Very high | 210 Ų | 210 | 91.8 Ų | 91.8 | 79% | 0.792 | 45% | 0.445 | S | S | * | . | B | Isolated β-bridge | trans | -54.9 | 128.7 | 176.8 | -67.6 | -175.4 | 70.1 | -142.9 | 2.3 | 109.9 | R174 | R174-R176 PolarHBondContact O-N 3.07Å |
| 177 | L | 97 | Very high | 96.2 | Very high | 5 Ų | 5 | 94.1 Ų | 94.1 | 3% | 0.026 | 45% | 0.448 | C | S | . | . | trans | -136.6 | 133.3 | -175 | -170.4 | 76.8 | 0 | 0 | 0 | 109.1 | T149 L160 L164 H168 K175 Q181 | T149-L177 HydrophobicContact CG2-CD1 4.22Å; T149-L177 HydrophobicContact CG2-CD2 3.52Å; L160-L177 HydrophobicContact CD1-CD2 3.74Å; L160-L177 HydrophobicContact CD2-CD2 4.46Å; L160-L177 HydrophobicContact CG-CD2 4.46Å; L164-L177 HydrophobicContact CD1-CD2 4.21Å; L164-L177 HydrophobicContact CD2-CB 3.82Å; L164-L177 HydrophobicContact CD2-CD2 3.86Å; L164-L177 HydrophobicContact CD2-CG 3.95Å; L164-L177 WeakPolarHBondContact CD2-O 3.22Å; L164-L177 HydrophobicContact CG-CD2 4.3Å; H168-L177 CarbonylContact C-O 3.53Å; H168-L177 PolarHBondContact O-N 3.23Å; H168-L177 VanDerWaalsContact O-O 3.07Å; K175-L177 PolarHBondContact O-N 3.15Å; L177-Q181 HydrophobicContact CD1-CB 3.62Å; L177-Q181 WeakPolarHBondContact CD1-O 3.47Å; L177-Q181 HydrophobicContact CG-CB 4.41Å | ||
| 178 | T | 95.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 96 Ų | 96 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | trans | -111.1 | 164.2 | 175.9 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | R180 Q181 | T178-R180 PolarHBondContact O-N 3.05Å; T178-Q181 PolarHBondContact O-N 2.93Å; T178-Q181 VanDerWaalsContact OG1-CG 3.23Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.14Å; T178-Q181 PolarHBondContact OG1-OE1 3.33Å | ||
| 179 | S | 93.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 94.7 Ų | 94.7 | 62% | 0.615 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -13.6 | -178.1 | 54.4 | 0 | 0 | 0 | 0 | 115 | Y182 | S179-Y182 WeakPolarHBondContact O-CE1 3.35Š|
| 180 | R | 94.6 | Very high | 96.1 | Very high | 225 Ų | 225 | 97.9 Ų | 97.9 | 85% | 0.849 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 1.4 | 177.6 | -59.2 | -175.4 | 179.9 | -170.3 | 0 | 113.6 | T178 | T178-R180 PolarHBondContact O-N 3.05Š|
| 181 | Q | 96.5 | Very high | 96 | Very high | 58 Ų | 58 | 103.6 Ų | 103.6 | 27% | 0.271 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -107.5 | 25.6 | -172.8 | -69.6 | 174.4 | -45.7 | 0 | 0 | 113.2 | K150 L177 T178 | K150-Q181 HydrophobicContact CD-CB 3.97Å; K150-Q181 HydrophobicContact CD-CG 3.93Å; K150-Q181 HydrophobicContact CG-CB 4.19Å; K150-Q181 WeakPolarHBondContact CG-O 3.4Å; K150-Q181 PolarHBondContact N-O 2.96Å; L177-Q181 HydrophobicContact CD1-CB 3.62Å; L177-Q181 WeakPolarHBondContact CD1-O 3.47Å; L177-Q181 HydrophobicContact CG-CB 4.41Å; T178-Q181 PolarHBondContact O-N 2.93Å; T178-Q181 VanDerWaalsContact OG1-CG 3.23Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.14Å; T178-Q181 PolarHBondContact OG1-OE1 3.33Å |
| 182 | Y | 98.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 106.8 Ų | 106.8 | 23% | 0.227 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158.6 | 169.3 | 68.3 | -93.1 | 0 | 0 | 0 | 109.8 | V147 S148 L160 L164 S179 | V147-Y182 HydrophobicContact CB-CD2 3.97Å; V147-Y182 HydrophobicContact CG1-CD2 4.03Å; V147-Y182 HydrophobicContact CG1-CE2 4.24Å; V147-Y182 HydrophobicContact CG2-CD2 4.28Å; S148-Y182 CarbonylContact O-C 3.42Å; S148-Y182 WeakPolarHBondContact O-CA 3.35Å; S148-Y182 VanDerWaalsContact O-CB 3.27Å; S148-Y182 WeakPolarHBondContact O-CB 3.31Å; L160-Y182 HydrophobicContact CD2-CD1 3.73Å; L160-Y182 HydrophobicContact CD2-CD2 3.81Å; L160-Y182 HydrophobicContact CD2-CE1 4.29Å; L160-Y182 HydrophobicContact CD2-CE2 4.39Å; L160-Y182 HydrophobicContact CD2-CG 3.45Å; L160-Y182 VanDerWaalsContact CD2-CG 3.45Å; L160-Y182 HydrophobicContact CG-CD1 4.43Å; L164-Y182 HydrophobicContact CD1-CD1 3.93Å; L164-Y182 HydrophobicContact CD1-CE1 3.65Å; S179-Y182 WeakPolarHBondContact O-CE1 3.35Å |
| 183 | H | 98.2 | Very high | 95.7 | Very high | 99 Ų | 99 | 109 Ų | 109 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.1 | 179.8 | 59.8 | 77.4 | 0 | 0 | 0 | 110.5 | V147 S148 | V147-H183 CarbonylContact C-O 3.57Å; V147-H183 VanDerWaalsContact CA-O 3.24Å; V147-H183 WeakPolarHBondContact CA-O 3.42Å; V147-H183 WeakPolarHBondContact CB-O 3.5Å; S148-H183 PolarHBondContact N-O 3.34Å; S148-H183 PolarHBondContact O-N 3.48Å |
| 184 | P | 97.7 | Very high | 95.5 | Very high | 48 Ų | 48 | 112.9 Ų | 112.9 | 31% | 0.312 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 153.3 | 173.2 | 28.2 | -34.6 | 0 | 0 | 0 | 111.5 | L145 V146 Y186 | L145-P184 HydrophobicContact CD1-CB 4.23Å; V146-P184 CarbonylContact O-C 3.45Å; V146-P184 WeakPolarHBondContact O-CA 3.42Å; P184-Y186 HydrophobicContact CB-CE2 3.96Å; P184-Y186 HydrophobicContact CG-CE2 3.77Å |
| 185 | L | 95.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 105.7 Ų | 105.7 | 27% | 0.267 | 48% | 0.483 | S | S | . | . | trans | -108.7 | 135.8 | 166.5 | -61.9 | -175.7 | 0 | 0 | 0 | 108.6 | V146 V154 | V146-L185 HydrophobicContact CG1-CB 4.24Å; V146-L185 HydrophobicContact CG1-CD1 4.08Å; V146-L185 HydrophobicContact CG1-CG 4.48Å; V146-L185 PolarHBondContact O-N 3.39Å; V154-L185 HydrophobicContact CG1-CD1 4.27Å; V154-L185 HydrophobicContact CG2-CD1 4.11Å | ||
| 186 | Y | 93.2 | Very high | 95.2 | Very high | 185 Ų | 185 | 103.1 Ų | 103.1 | 73% | 0.725 | 47% | 0.474 | S | S | * | . | trans | -120.6 | 119 | 171.7 | -57.5 | -79.2 | 0 | 0 | 0 | 106.7 | P184 | P184-Y186 HydrophobicContact CB-CE2 3.96Å; P184-Y186 HydrophobicContact CG-CE2 3.77Å | ||
| 187 | I | 85.7 | Confident | 95 | Very high | 147 Ų | 147 | 93.4 Ų | 93.4 | 75% | 0.754 | 45% | 0.445 | S | S | * | . | trans | -125.5 | 0 | -173.6 | 60.9 | 176.4 | 0 | 0 | 0 | 110.1 | I127 Y136 | I127-I187 HydrophobicContact CD1-CD1 3.27Å; I127-I187 HydrophobicContact CD1-CG2 4.36Å; Y136-I187 HydrophobicContact CD1-CD1 4.47Å; Y136-I187 HydrophobicContact CD2-CD1 3.65Å; Y136-I187 HydrophobicContact CD2-CG1 4.38Å; Y136-I187 HydrophobicContact CE1-CD1 4.24Å; Y136-I187 HydrophobicContact CE1-CG1 4.37Å; Y136-I187 HydrophobicContact CE2-CD1 3.4Å; Y136-I187 VanDerWaalsContact CE2-CD1 3.4Å; Y136-I187 HydrophobicContact CE2-CG1 3.62Å; Y136-I187 HydrophobicContact CG-CD1 4.19Å |
Retrieved 187 of 187 residues in 29.5 ms
(Link to these results)