| 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 | 43 | Very low | 47.8 | Very low | 255 Ų | 255 | 148.2 Ų | 148.2 | 100% | 1.256 | 82% | 0.824 | S | S | * | * | 0 | 113.1 | 0 | -79.8 | 133.4 | 114.1 | 0 | 0 | 107.3 | |||||
| 2 | S | 52.1 | Low | 47.1 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -108.6 | 133.4 | -179 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3 | S | 51.1 | Low | 46.8 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 177.1 | 151.9 | 166.3 | -89.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | P | 56.5 | Low | 46.5 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | -129 | 171.3 | -94.6 | 25.5 | -3.6 | 0 | 0 | 0 | 113.8 | |||||
| 5 | E | 49.9 | Very low | 45.7 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -56.2 | 144 | 164.1 | -61.2 | -156.2 | 99.3 | 0 | 0 | 112.5 | ||||
| 6 | R | 51.7 | Low | 45.4 | Very low | 239 Ų | 239 | 137.6 Ų | 137.6 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -128.6 | 97.2 | 153.9 | -69.9 | -159.4 | -63.6 | -151.5 | 0.6 | 109.4 | ||||
| 7 | N | 47.6 | Very low | 44.9 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 128.7 | 152.6 | -110 | -50.8 | 0 | 0 | 0 | 108.8 | ||||
| 8 | L | 50.1 | Low | 45 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -158.3 | 104.1 | 157.6 | -89 | 159.4 | 0 | 0 | 0 | 102.7 | ||||
| 9 | G | 39.6 | Very low | 44.4 | Very low | 55 Ų | 55 | 136.9 Ų | 136.9 | 57% | 0.567 | 79% | 0.791 | S | S | * | * | cis | 90.9 | 100.6 | 33.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 10 | S | 43.1 | Very low | 44 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 65.2 | 118.1 | 159 | 54 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 11 | D | 41 | Very low | 43.8 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | -173.6 | 122 | 103.3 | -81.9 | -28 | 0 | 0 | 0 | 113.5 | |||||
| 12 | A | 39.7 | Very low | 43.8 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 35.1 | 115.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 13 | L | 42.7 | Very low | 42.9 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -69.7 | 146.7 | 133.6 | -66.9 | 173.9 | 0 | 0 | 0 | 107.8 | ||||
| 14 | P | 43.3 | Very low | 42.4 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -149.1 | 159.6 | 86.5 | 40.1 | -22.9 | 0 | 0 | 0 | 115.7 | |||||
| 15 | S | 34.7 | Very low | 41.4 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | 73.1 | 110.8 | 130.6 | 165.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 16 | S | 40.6 | Very low | 40.8 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 52 | 109.2 | 132.2 | 71.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 17 | S | 36.7 | Very low | 40.1 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | -150.3 | 96.8 | 128 | 47.4 | 0 | 0 | 0 | 0 | 109.5 | F19 | S17-F19 PolarHBondContact O-N 2.93Å; S17-F19 VanDerWaalsContact O-N 3.16Å; S17-F19 WeakPolarHBondContact OG-CE2 3.02Å | |||
| 18 | V | 45.9 | Very low | 39.7 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -49.8 | 112.6 | 150.8 | 175.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 19 | F | 34.3 | Very low | 39.5 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | trans | -117 | 121.8 | 164.2 | -81 | -65.8 | 0 | 0 | 0 | 109.6 | S17 | S17-F19 PolarHBondContact O-N 2.93Å; S17-F19 VanDerWaalsContact O-N 3.16Å; S17-F19 WeakPolarHBondContact OG-CE2 3.02Å | ||
| 20 | P | 36 | Very low | 39.3 | Very low | 94 Ų | 94 | 139 Ų | 139 | 61% | 0.61 | 78% | 0.784 | S | S | * | * | trans | -74.5 | 145.2 | -164.5 | 30.2 | -35.4 | 0 | 0 | 0 | 111.6 | S22 | P20-S22 PolarHBondContact O-N 2.84Š| ||
| 21 | V | 41.3 | Very low | 39.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -65 | 77.1 | 161.6 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | ||
| 22 | S | 42.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -167.4 | 100.2 | 170.1 | -89.2 | 0 | 0 | 0 | 0 | 105.4 | P20 | P20-S22 PolarHBondContact O-N 2.84Š| ||
| 23 | Q | 34 | Very low | 40.2 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 164.4 | 94.8 | 151.3 | -83.5 | -81.2 | 27.1 | 0 | 0 | 105.9 | ||||
| 24 | I | 39.3 | Very low | 40.7 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 163.4 | 77.3 | 141.9 | -74.1 | 148.6 | 0 | 0 | 0 | 106 | ||
| 25 | L | 36.8 | Very low | 41.4 | Very low | 166 Ų | 166 | 146 Ų | 146 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -166.1 | 68.4 | 143 | -165.1 | 61.5 | 0 | 0 | 0 | 109.6 | ||||
| 26 | M | 36.8 | Very low | 41.9 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -139.6 | 78.4 | 168.1 | -83.4 | -168.3 | 141.3 | 0 | 0 | 110.3 | ||||
| 27 | T | 36.5 | Very low | 42.5 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | trans | 178.9 | 101 | 152.2 | 6.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 28 | M | 39.9 | Very low | 42.7 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | -164.4 | 86.6 | 88.6 | -76.5 | -84 | 95.3 | 0 | 0 | 109.5 | |||||
| 29 | R | 45.1 | Very low | 42.7 | Very low | 253 Ų | 253 | 151.7 Ų | 151.7 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | trans | -105.5 | 94.5 | 158 | -84.9 | -177.9 | 161.4 | 172.5 | -3.4 | 107.3 | ||||
| 30 | S | 35.3 | Very low | 43.2 | Very low | 101 Ų | 101 | 151 Ų | 151 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -178.1 | 98.2 | 157.9 | -170.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 31 | L | 47.3 | Very low | 44 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 96% | 0.963 | 82% | 0.822 | S | S | * | * | trans | -140.8 | 108 | 130.7 | -78.4 | -174.8 | 0 | 0 | 0 | 107.3 | ||||
| 32 | L | 47.8 | Very low | 44 | Very low | 137 Ų | 137 | 158.7 Ų | 158.7 | 72% | 0.717 | 82% | 0.822 | S | S | * | * | trans | -94.7 | 145 | -172.5 | -156.9 | 74.5 | 0 | 0 | 0 | 109.2 | ||||
| 33 | R | 48.9 | Very low | 44.3 | Very low | 209 Ų | 209 | 158.2 Ų | 158.2 | 79% | 0.789 | 82% | 0.823 | S | S | * | * | trans | 72.7 | 112 | 150.1 | -85.6 | 166.1 | 175.1 | 173.8 | -1.9 | 119.9 | ||||
| 34 | T | 52.4 | Low | 44.5 | Very low | 149 Ų | 149 | 159.2 Ų | 159.2 | 91% | 0.914 | 83% | 0.825 | S | S | * | * | -141.1 | 112.1 | 129.3 | 34.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 35 | P | 56.8 | Low | 44.4 | Very low | 103 Ų | 103 | 157.6 Ų | 157.6 | 67% | 0.669 | 83% | 0.828 | S | S | * | * | trans | -108.9 | 121.8 | 163 | 33.4 | -21.6 | 0 | 0 | 0 | 110.2 | ||||
| 36 | F | 46.9 | Very low | 45 | Very low | 191 Ų | 191 | 153.7 Ų | 153.7 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | 172.1 | 117.3 | 154.8 | -120.6 | -112.8 | 0 | 0 | 0 | 105.1 | ||||
| 37 | L | 52.5 | Low | 45.6 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | -155.7 | 140.3 | 77.5 | -85.5 | 155.2 | 0 | 0 | 0 | 111.5 | |||||
| 38 | C | 40.1 | Very low | 45.7 | Very low | 124 Ų | 124 | 149 Ų | 149 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -91.9 | 154.6 | -177.3 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 39 | G | 45.9 | Very low | 45.8 | Very low | 63 Ų | 63 | 147.1 Ų | 147.1 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | trans | 93.5 | 132 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 40 | L | 46.1 | Very low | 45.2 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | cis | -163.7 | 136.7 | 20.2 | -90.3 | 126.6 | 0 | 0 | 0 | 107.2 | ||||
| 41 | L | 51.2 | Low | 45.5 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | -167.5 | 109.7 | 117.2 | -138.2 | 69.3 | 0 | 0 | 0 | 110.6 | |||||
| 42 | W | 43.1 | Very low | 44.9 | Very low | 241 Ų | 241 | 144.6 Ų | 144.6 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -53.3 | 140.7 | 156.5 | -76.3 | -22.4 | 0 | 0 | 0 | 110.6 | ||||
| 43 | A | 47.1 | Very low | 44.4 | Very low | 84 Ų | 84 | 146.4 Ų | 146.4 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | 162.9 | 125.9 | 95.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 44 | F | 39.8 | Very low | 44.3 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | 51.3 | 114.9 | 135.4 | -77.9 | -100.4 | 0 | 0 | 0 | 120.7 | ||||
| 45 | C | 36.8 | Very low | 43.5 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | -149.7 | 140.4 | 113.2 | -146.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 46 | A | 49.1 | Very low | 42.4 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | trans | -83.8 | 178.2 | -161.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 47 | P | 49.7 | Very low | 41.8 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -88.6 | 147.4 | -160.4 | 36.2 | -32.6 | 0 | 0 | 0 | 113.7 | ||||
| 48 | G | 39.1 | Very low | 40.9 | Very low | 80 Ų | 80 | 136.5 Ų | 136.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -111.1 | 105.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 49 | T | 40.7 | Very low | 40.5 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -67.7 | 136.9 | 167 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 50 | R | 33 | Very low | 40.3 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -165.6 | 121.7 | 136.7 | -164.5 | 161.8 | 155.6 | 172.1 | -8.7 | 111.4 | ||||
| 51 | A | 40.7 | Very low | 40.4 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | trans | -73.4 | 155 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 52 | E | 34.6 | Very low | 39.8 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -166.4 | 117.6 | 137.4 | -81 | -57.3 | 79.1 | 0 | 0 | 108 | ||||
| 53 | E | 38.3 | Very low | 39.7 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -86.5 | -175.1 | 153.8 | -68.7 | -88.2 | 136.8 | 0 | 0 | 107.8 | ||||
| 54 | P | 45.9 | Very low | 39.8 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | -137.7 | 171.1 | -5 | 32.6 | -9.9 | 0 | 0 | 0 | 116 | ||||
| 55 | A | 35.6 | Very low | 39.7 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 44 | 130 | 139.4 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 56 | A | 34.5 | Very low | 40.6 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | -164 | 134.7 | 127.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 57 | S | 33.9 | Very low | 40.2 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -72.8 | 154.5 | 172.3 | 178.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 58 | F | 33.2 | Very low | 40.5 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | 170.4 | 123 | 116.8 | -146 | -118.1 | 0 | 0 | 0 | 113.9 | |||||
| 59 | S | 32.5 | Very low | 41.1 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | trans | 62.7 | 126.8 | 135.9 | -55.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 60 | Q | 40.9 | Very low | 41.5 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -54.4 | 178.4 | 151.1 | -52 | -166.8 | -71.3 | 0 | 0 | 112 | ||||
| 61 | P | 48.8 | Very low | 42.4 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | cis | -143.9 | 169.8 | 10.5 | 39.1 | -17.8 | 0 | 0 | 0 | 117.1 | ||||
| 62 | G | 37.4 | Very low | 42.9 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 81.8 | 112.6 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 63 | S | 41.8 | Very low | 43.9 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | -163.1 | 115.3 | 128.5 | -164.5 | 0 | 0 | 0 | 0 | 109.3 | G65 | S63-G65 PolarHBondContact O-N 2.75Š| |||
| 64 | M | 48.8 | Very low | 44.6 | Very low | 199 Ų | 199 | 125.2 Ų | 125.2 | 98% | 0.98 | 74% | 0.738 | S | S | * | * | trans | -68.7 | 85.4 | 165.2 | -73.4 | 178.6 | 154.6 | 0 | 0 | 107.9 | ||||
| 65 | G | 38.3 | Very low | 44.7 | Very low | 59 Ų | 59 | 126.6 Ų | 126.6 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | trans | -92.3 | 108.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | S63 D67 | S63-G65 PolarHBondContact O-N 2.75Å; G65-D67 PolarHBondContact O-N 2.82Å | ||
| 66 | L | 54.9 | Low | 45.5 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 91% | 0.906 | 72% | 0.721 | S | S | * | * | trans | -70.9 | 79.4 | 170.5 | -132.2 | 166.3 | 0 | 0 | 0 | 107.2 | ||||
| 67 | D | 41 | Very low | 46.6 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 57% | 0.572 | 69% | 0.69 | S | S | * | * | trans | -75 | 127.5 | 175.8 | -174.8 | -5.4 | 0 | 0 | 0 | 108.8 | G65 N69 | G65-D67 PolarHBondContact O-N 2.82Å; D67-N69 PolarHBondContact O-N 2.76Å; D67-N69 WeakPolarHBondContact OD1-CA 3.39Å; D67-N69 WeakPolarHBondContact OD1-CB 3.5Å; D67-N69 PolarHBondContact OD1-N 3.04Å | ||
| 68 | K | 56.7 | Low | 47.6 | Very low | 202 Ų | 202 | 124 Ų | 124 | 88% | 0.878 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -89.2 | 20.6 | 175.7 | -71.6 | 178.5 | 165.8 | -177.7 | 0 | 112.1 | ||
| 69 | N | 50.6 | Low | 48.6 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | trans | -123.9 | 41.4 | -177.1 | -146.3 | 33.8 | 0 | 0 | 0 | 110.9 | D67 V71 | D67-N69 PolarHBondContact O-N 2.76Å; D67-N69 WeakPolarHBondContact OD1-CA 3.39Å; D67-N69 WeakPolarHBondContact OD1-CB 3.5Å; D67-N69 PolarHBondContact OD1-N 3.04Å; N69-V71 PolarHBondContact O-N 2.91Å | ||
| 70 | T | 49.5 | Very low | 49.5 | Very low | 109 Ų | 109 | 122 Ų | 122 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | trans | -73.7 | 58.3 | 168.1 | 16.1 | 0 | 0 | 0 | 0 | 110.7 | H72 | T70-H72 PolarHBondContact O-N 2.93Š| ||
| 71 | V | 52.1 | Low | 50.2 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | trans | -65.4 | 92.1 | 142.1 | -178.4 | 0 | 0 | 0 | 0 | 102.9 | N69 D73 | N69-V71 PolarHBondContact O-N 2.91Å; V71-D73 PolarHBondContact O-N 3.44Å | ||
| 72 | H | 50.9 | Low | 50.4 | Low | 98 Ų | 98 | 118.4 Ų | 118.4 | 45% | 0.454 | 64% | 0.635 | S | S | . | * | trans | -52 | 119.7 | 175.5 | -112.5 | 53.3 | 0 | 0 | 0 | 106.7 | T70 Q74 H76 I77 | T70-H72 PolarHBondContact O-N 2.93Å; H72-Q74 PolarHBondContact O-N 3.23Å; H72-H76 AromaticContact CD2-ND1 3.55Å; H72-H76 AromaticContact NE2-ND1 3.62Å; H72-I77 HydrophobicContact CB-CD1 4.1Å; H72-I77 HydrophobicContact CB-CG1 3.9Å; H72-I77 WeakPolarHBondContact O-CD1 3.45Å | ||
| 73 | D | 55.4 | Low | 51 | Low | 103 Ų | 103 | 117.4 Ų | 117.4 | 55% | 0.551 | 63% | 0.626 | S | S | * | * | trans | -51.2 | 133 | -177.5 | -64.5 | -53.9 | 0 | 0 | 0 | 108.1 | V71 E75 H76 I77 | V71-D73 PolarHBondContact O-N 3.44Å; D73-E75 HydrophobicContact CB-CG 3.63Å; D73-E75 PolarHBondContact O-N 3.25Å; D73-H76 PolarHBondContact O-N 3.33Å; D73-I77 PolarHBondContact O-N 3.27Å | ||
| 74 | Q | 53.5 | Low | 51.5 | Low | 151 Ų | 151 | 112.3 Ų | 112.3 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -47 | -32.9 | -175.7 | -172.4 | -177.3 | -27.8 | 0 | 0 | 111.9 | H72 I77 M78 | H72-Q74 PolarHBondContact O-N 3.23Å; Q74-I77 PolarHBondContact O-N 3.31Å; Q74-M78 HydrophobicContact CG-CE 4.05Å; Q74-M78 WeakPolarHBondContact O-CB 3.25Å; Q74-M78 WeakPolarHBondContact O-CE 3.37Å; Q74-M78 VanDerWaalsContact O-CG 3.25Å; Q74-M78 WeakPolarHBondContact O-CG 3.41Å; Q74-M78 PolarHBondContact O-N 3.1Å |
| 75 | E | 48.7 | Very low | 51.6 | Low | 137 Ų | 137 | 109 Ų | 109 | 64% | 0.64 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -38.1 | 173.9 | 49.4 | -156.5 | -165.9 | 0 | 0 | 115.3 | D73 M78 E79 | D73-E75 HydrophobicContact CB-CG 3.63Å; D73-E75 PolarHBondContact O-N 3.25Å; E75-M78 HydrophobicContact CB-CE 4.33Å; E75-M78 PolarHBondContact O-N 3.04Å; E75-E79 PolarHBondContact O-N 3.01Å; E75-E79 VanDerWaalsContact O-N 3.1Å |
| 76 | H | 52.6 | Low | 52.2 | Low | 110 Ų | 110 | 113.5 Ų | 113.5 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -77.5 | -26.9 | 175.1 | -157.1 | -78 | 0 | 0 | 0 | 112.2 | H72 D73 | H72-H76 AromaticContact CD2-ND1 3.55Å; H72-H76 AromaticContact NE2-ND1 3.62Å; D73-H76 PolarHBondContact O-N 3.33Å |
| 77 | I | 57.1 | Low | 52.4 | Low | 46 Ų | 46 | 110 Ų | 110 | 24% | 0.236 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -67.6 | -49.9 | 169.4 | -58.3 | 177 | 0 | 0 | 0 | 108.4 | H72 D73 Q74 E79 H80 L81 L99 Y163 | H72-I77 HydrophobicContact CB-CD1 4.1Å; H72-I77 HydrophobicContact CB-CG1 3.9Å; H72-I77 WeakPolarHBondContact O-CD1 3.45Å; D73-I77 PolarHBondContact O-N 3.27Å; Q74-I77 PolarHBondContact O-N 3.31Å; I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 3.45Å; I77-H80 PolarHBondContact O-N 3.48Å; I77-L81 VanDerWaalsContact C-CD1 3.49Å; I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 WeakPolarHBondContact O-CD1 3.43Å; I77-L81 PolarHBondContact O-N 3.38Å; I77-L99 HydrophobicContact CG2-CD2 4.41Å; I77-Y163 HydrophobicContact CD1-CE1 4.39Å; I77-Y163 HydrophobicContact CG2-CE1 4.23Å |
| 78 | M | 55.8 | Low | 53.6 | Low | 103 Ų | 103 | 108.1 Ų | 108.1 | 51% | 0.507 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -55.7 | -38.6 | 177.6 | -76.3 | -174.2 | -64.9 | 0 | 0 | 114.1 | Q74 E75 H80 L81 | Q74-M78 HydrophobicContact CG-CE 4.05Å; Q74-M78 WeakPolarHBondContact O-CB 3.25Å; Q74-M78 WeakPolarHBondContact O-CE 3.37Å; Q74-M78 VanDerWaalsContact O-CG 3.25Å; Q74-M78 WeakPolarHBondContact O-CG 3.41Å; Q74-M78 PolarHBondContact O-N 3.1Å; E75-M78 HydrophobicContact CB-CE 4.33Å; E75-M78 PolarHBondContact O-N 3.04Å; M78-H80 PolarHBondContact O-N 3.23Å; M78-L81 WeakPolarHBondContact O-CB 2.94Å; M78-L81 PolarHBondContact O-N 3.47Å |
| 79 | E | 53.9 | Low | 54.1 | Low | 163 Ų | 163 | 103 Ų | 103 | 76% | 0.762 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.4 | -20.4 | 179 | -156.8 | 173.1 | -167.5 | 0 | 0 | 113.1 | E75 I77 | E75-E79 PolarHBondContact O-N 3.01Å; E75-E79 VanDerWaalsContact O-N 3.1Å; I77-E79 VanDerWaalsContact C-N 3.33Å; I77-E79 PolarHBondContact O-N 3.45Å |
| 80 | H | 51.6 | Low | 54.9 | Low | 70 Ų | 70 | 102.4 Ų | 102.4 | 32% | 0.324 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -90.4 | -10.6 | 174.8 | -137.2 | 57.8 | 0 | 0 | 0 | 113.9 | I77 M78 E82 G83 V84 E96 | I77-H80 PolarHBondContact O-N 3.48Å; M78-H80 PolarHBondContact O-N 3.23Å; H80-E82 VanDerWaalsContact C-N 3.27Å; H80-E82 PolarHBondContact O-N 2.95Å; H80-G83 PolarHBondContact O-N 2.86Å; H80-V84 WeakPolarHBondContact CD2-CG2 3.18Å; H80-V84 VanDerWaalsContact NE2-CG2 3.33Å; H80-V84 WeakPolarHBondContact NE2-CG2 3.18Å; H80-V84 WeakPolarHBondContact O-CG2 3.21Å; H80-E96 IonicContact CD2-OE1 3.38Å; H80-E96 IonicContact NE2-OE1 2.56Å; H80-E96 PolarHBondContact NE2-OE1 3.15Å |
| 81 | L | 54.3 | Low | 56.1 | Low | 40 Ų | 40 | 103.9 Ų | 103.9 | 21% | 0.209 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.5 | -174.4 | -100.6 | 67.5 | 0 | 0 | 0 | 114 | I77 M78 L99 K103 | I77-L81 VanDerWaalsContact C-CD1 3.49Å; I77-L81 HydrophobicContact CG2-CD1 3.8Å; I77-L81 WeakPolarHBondContact O-CD1 3.43Å; I77-L81 PolarHBondContact O-N 3.38Å; M78-L81 WeakPolarHBondContact O-CB 2.94Å; M78-L81 PolarHBondContact O-N 3.47Å; L81-L99 HydrophobicContact CD1-CD1 3.67Å; L81-L99 HydrophobicContact CD1-CD2 3.59Å; L81-L99 HydrophobicContact CD1-CG 4.21Å; L81-L99 HydrophobicContact CG-CD1 4.06Å; L81-L99 HydrophobicContact CG-CD2 4.32Å; L81-K103 HydrophobicContact CD2-CD 4.38Å; L81-K103 HydrophobicContact CG-CD 4.26Å |
| 82 | E | 53.2 | Low | 57.2 | Low | 190 Ų | 190 | 99.3 Ų | 99.3 | 89% | 0.888 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -3 | -173.1 | -67.5 | -175.2 | 168.9 | 0 | 0 | 114.4 | H80 | H80-E82 VanDerWaalsContact C-N 3.27Å; H80-E82 PolarHBondContact O-N 2.95Å |
| 83 | G | 51 | Low | 58.8 | Low | 58 Ų | 58 | 96.6 Ų | 96.6 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | H80 | H80-G83 PolarHBondContact O-N 2.86Š|
| 84 | V | 50.7 | Low | 60.1 | Low | 12 Ų | 12 | 96.4 Ų | 96.4 | 7% | 0.073 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -86.4 | -10.5 | -166.4 | -178.9 | 0 | 0 | 0 | 0 | 114.5 | H80 N86 K87 M92 | H80-V84 WeakPolarHBondContact CD2-CG2 3.18Å; H80-V84 VanDerWaalsContact NE2-CG2 3.33Å; H80-V84 WeakPolarHBondContact NE2-CG2 3.18Å; H80-V84 WeakPolarHBondContact O-CG2 3.21Å; V84-N86 PolarHBondContact O-N 2.77Å; V84-K87 PolarHBondContact O-N 2.56Å; V84-M92 HydrophobicContact CG1-CE 4.11Å; V84-M92 HydrophobicContact CG1-SD 3.8Å |
| 85 | I | 51.2 | Low | 61.5 | Low | 129 Ų | 129 | 95 Ų | 95 | 66% | 0.662 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -63.8 | -10.3 | -167.8 | -59.5 | 172.8 | 0 | 0 | 0 | 113.7 | ||
| 86 | N | 51.4 | Low | 63.1 | Low | 155 Ų | 155 | 90.6 Ų | 90.6 | 83% | 0.829 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -108.9 | 6.6 | -175.6 | -63.5 | -66 | 0 | 0 | 0 | 116 | V84 | V84-N86 PolarHBondContact O-N 2.77Š|
| 87 | K | 58.9 | Low | 64.5 | Low | 98 Ų | 98 | 87.4 Ų | 87.4 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -96.3 | 143.7 | 173.8 | -68.4 | -179.3 | -172.7 | 166.9 | 0 | 110.6 | V84 M92 E96 | V84-K87 PolarHBondContact O-N 2.56Å; K87-M92 HydrophobicContact CB-CE 4.35Å; K87-M92 WeakPolarHBondContact O-CE 3.33Å; K87-E96 IonicContact NZ-OE1 3.74Å |
| 88 | P | 65.9 | Low | 65.9 | Low | 69 Ų | 69 | 86.8 Ų | 86.8 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | trans | -64.5 | 139.7 | 171.4 | 28.2 | -32.7 | 0 | 0 | 0 | 110 | A90 E91 | P88-A90 PolarHBondContact O-N 2.74Å; P88-E91 HydrophobicContact CG-CB 4.15Å; P88-E91 VanDerWaalsContact CG-CD 3.46Å; P88-E91 HydrophobicContact CG-CG 3.79Å; P88-E91 WeakPolarHBondContact CG-OE1 3.38Å; P88-E91 PolarHBondContact O-N 3.47Å | ||
| 89 | E | 67.7 | Low | 67.4 | Low | 94 Ų | 94 | 82.5 Ų | 82.5 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -49.7 | -34.6 | 178.6 | -67.3 | -179.9 | 176.7 | 0 | 0 | 112.7 | E91 M92 L97 | E89-E91 PolarHBondContact O-N 3.38Å; E89-E91 VanDerWaalsContact O-N 3.11Å; E89-M92 PolarHBondContact O-N 3.35Å; E89-M92 VanDerWaalsContact O-N 3.12Å; E89-L97 HydrophobicContact CB-CD2 3.92Å; E89-L97 HydrophobicContact CG-CD2 4.21Å |
| 90 | A | 66.6 | Low | 68.9 | Low | 103 Ų | 103 | 76.3 Ų | 76.3 | 85% | 0.851 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -62 | -16.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P88 | P88-A90 PolarHBondContact O-N 2.74Š|
| 91 | E | 76.6 | Confident | 70.6 | Confident | 141 Ų | 141 | 77.7 Ų | 77.7 | 66% | 0.659 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -105.1 | -2.4 | 179.6 | -67.8 | 177.3 | -161 | 0 | 0 | 113 | P88 E89 | P88-E91 HydrophobicContact CG-CB 4.15Å; P88-E91 VanDerWaalsContact CG-CD 3.46Å; P88-E91 HydrophobicContact CG-CG 3.79Å; P88-E91 WeakPolarHBondContact CG-OE1 3.38Å; P88-E91 PolarHBondContact O-N 3.47Å; E89-E91 PolarHBondContact O-N 3.38Å; E89-E91 VanDerWaalsContact O-N 3.11Å |
| 92 | M | 74.3 | Confident | 72.4 | Confident | 16 Ų | 16 | 76 Ų | 76 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -87 | 141.7 | -178.8 | -64.1 | -170.3 | -149.6 | 0 | 0 | 111.5 | V84 K87 E89 E96 L97 H100 | V84-M92 HydrophobicContact CG1-CE 4.11Å; V84-M92 HydrophobicContact CG1-SD 3.8Å; K87-M92 HydrophobicContact CB-CE 4.35Å; K87-M92 WeakPolarHBondContact O-CE 3.33Å; E89-M92 PolarHBondContact O-N 3.35Å; E89-M92 VanDerWaalsContact O-N 3.12Å; M92-E96 HydrophobicContact CB-CB 3.98Å; M92-E96 HydrophobicContact CG-CB 4.44Å; M92-L97 HydrophobicContact CB-CD2 3.82Å; M92-L97 HydrophobicContact CB-CG 3.69Å; M92-L97 HydrophobicContact CG-CD2 4.38Å; M92-L97 HydrophobicContact SD-CD2 3.98Å; M92-H100 HydrophobicContact SD-CB 4Å |
| 93 | S | 83.8 | Confident | 74.2 | Confident | 41 Ų | 41 | 69.1 Ų | 69.1 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | trans | -65.4 | 160.2 | 167.9 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | Q95 E96 L97 | S93-Q95 PolarHBondContact O-N 2.71Å; S93-Q95 VanDerWaalsContact O-N 3.17Å; S93-E96 VanDerWaalsContact CB-OE2 3.31Å; S93-E96 WeakPolarHBondContact CB-OE2 3.07Å; S93-E96 PolarHBondContact N-OE2 3.39Å; S93-E96 PolarHBondContact O-N 3.24Å; S93-E96 VanDerWaalsContact O-N 3.09Å; S93-E96 WeakPolarHBondContact OG-CB 3.29Å; S93-E96 VanDerWaalsContact OG-CG 3.25Å; S93-E96 WeakPolarHBondContact OG-CG 3.41Å; S93-E96 PolarHBondContact OG-N 3.14Å; S93-E96 PolarHBondContact OG-OE2 2.92Å; S93-L97 PolarHBondContact O-N 2.87Å | ||
| 94 | P | 83.6 | Confident | 76 | Confident | 98 Ų | 98 | 69.3 Ų | 69.3 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -54.3 | -35.9 | 176.7 | -27.3 | 35.6 | 0 | 0 | 0 | 113.7 | Q98 | P94-Q98 WeakPolarHBondContact O-CB 3.37Å; P94-Q98 PolarHBondContact O-N 3.36Å |
| 95 | Q | 82.2 | Confident | 78 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 58% | 0.575 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -72.6 | -40.5 | 178.2 | -62.2 | 80.3 | 2.5 | 0 | 0 | 111.9 | S93 Q98 L99 | S93-Q95 PolarHBondContact O-N 2.71Å; S93-Q95 VanDerWaalsContact O-N 3.17Å; Q95-Q98 PolarHBondContact O-N 2.95Å; Q95-L99 WeakPolarHBondContact O-CB 3.23Å; Q95-L99 PolarHBondContact O-N 3.21Å |
| 96 | E | 82.1 | Confident | 80.1 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 173.9 | -75.2 | 165.8 | 132.9 | 0 | 0 | 111.4 | H80 K87 M92 S93 L99 H100 | H80-E96 IonicContact CD2-OE1 3.38Å; H80-E96 IonicContact NE2-OE1 2.56Å; H80-E96 PolarHBondContact NE2-OE1 3.15Å; K87-E96 IonicContact NZ-OE1 3.74Å; M92-E96 HydrophobicContact CB-CB 3.98Å; M92-E96 HydrophobicContact CG-CB 4.44Å; S93-E96 VanDerWaalsContact CB-OE2 3.31Å; S93-E96 WeakPolarHBondContact CB-OE2 3.07Å; S93-E96 PolarHBondContact N-OE2 3.39Å; S93-E96 PolarHBondContact O-N 3.24Å; S93-E96 VanDerWaalsContact O-N 3.09Å; S93-E96 WeakPolarHBondContact OG-CB 3.29Å; S93-E96 VanDerWaalsContact OG-CG 3.25Å; S93-E96 WeakPolarHBondContact OG-CG 3.41Å; S93-E96 PolarHBondContact OG-N 3.14Å; S93-E96 PolarHBondContact OG-OE2 2.92Å; E96-L99 PolarHBondContact O-N 3.33Å; E96-H100 WeakPolarHBondContact O-CB 3.29Å; E96-H100 PolarHBondContact O-N 2.76Å |
| 97 | L | 83.2 | Confident | 82 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 174.1 | -76.7 | 171.9 | 0 | 0 | 0 | 111.7 | E89 M92 S93 L99 H100 Y101 | E89-L97 HydrophobicContact CB-CD2 3.92Å; E89-L97 HydrophobicContact CG-CD2 4.21Å; M92-L97 HydrophobicContact CB-CD2 3.82Å; M92-L97 HydrophobicContact CB-CG 3.69Å; M92-L97 HydrophobicContact CG-CD2 4.38Å; M92-L97 HydrophobicContact SD-CD2 3.98Å; S93-L97 PolarHBondContact O-N 2.87Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 2.85Å; L97-H100 WeakPolarHBondContact O-CB 3.3Å; L97-H100 PolarHBondContact O-N 2.89Å; L97-H100 VanDerWaalsContact O-N 3.17Å; L97-Y101 HydrophobicContact CB-CE2 4.42Å; L97-Y101 WeakPolarHBondContact O-CD2 3.28Å; L97-Y101 PolarHBondContact O-N 2.83Å |
| 98 | Q | 85.4 | Confident | 83.6 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 15% | 0.15 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 176.4 | -179 | 177.5 | 48.7 | 0 | 0 | 111.3 | P94 Q95 H100 Y101 F102 Y163 F166 A167 L170 | P94-Q98 WeakPolarHBondContact O-CB 3.37Å; P94-Q98 PolarHBondContact O-N 3.36Å; Q95-Q98 PolarHBondContact O-N 2.95Å; Q98-H100 VanDerWaalsContact C-N 3.33Å; Q98-Y101 PolarHBondContact O-N 2.82Å; Q98-F102 PolarHBondContact O-N 2.85Å; Q98-F102 VanDerWaalsContact O-N 3.1Å; Q98-Y163 HydrophobicContact CG-CE2 4.25Å; Q98-Y163 PolarHBondContact OE1-OH 3.38Å; Q98-F166 HydrophobicContact CG-CD1 3.92Å; Q98-F166 HydrophobicContact CG-CE1 3.52Å; Q98-F166 WeakPolarHBondContact O-CE1 2.94Å; Q98-A167 VanDerWaalsContact NE2-CA 3.28Å; Q98-L170 HydrophobicContact CG-CD1 3.83Å; Q98-L170 VanDerWaalsContact NE2-CD1 3.29Å |
| 99 | L | 87.5 | Confident | 85 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.5 | 179.2 | 63.8 | 0 | 0 | 0 | 112 | I77 L81 Q95 E96 L97 F102 K103 Y163 | I77-L99 HydrophobicContact CG2-CD2 4.41Å; L81-L99 HydrophobicContact CD1-CD1 3.67Å; L81-L99 HydrophobicContact CD1-CD2 3.59Å; L81-L99 HydrophobicContact CD1-CG 4.21Å; L81-L99 HydrophobicContact CG-CD1 4.06Å; L81-L99 HydrophobicContact CG-CD2 4.32Å; Q95-L99 WeakPolarHBondContact O-CB 3.23Å; Q95-L99 PolarHBondContact O-N 3.21Å; E96-L99 PolarHBondContact O-N 3.33Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 2.85Å; L99-F102 PolarHBondContact O-N 2.96Å; L99-K103 HydrophobicContact CD1-CG 4.06Å; L99-K103 HydrophobicContact CG-CG 4.35Å; L99-K103 WeakPolarHBondContact O-CB 3.42Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 2.95Å; L99-Y163 HydrophobicContact CB-CE2 4.09Å; L99-Y163 HydrophobicContact CD1-CD2 4.06Å; L99-Y163 HydrophobicContact CD1-CE2 3.84Å |
| 100 | H | 86.5 | Confident | 86.3 | Confident | 32 Ų | 32 | 61 Ų | 61 | 15% | 0.148 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 177.1 | 179.2 | 61 | 0 | 0 | 0 | 111.4 | M92 E96 L97 Q98 F102 K103 M104 | M92-H100 HydrophobicContact SD-CB 4Å; E96-H100 WeakPolarHBondContact O-CB 3.29Å; E96-H100 PolarHBondContact O-N 2.76Å; L97-H100 WeakPolarHBondContact O-CB 3.3Å; L97-H100 PolarHBondContact O-N 2.89Å; L97-H100 VanDerWaalsContact O-N 3.17Å; Q98-H100 VanDerWaalsContact C-N 3.33Å; H100-F102 VanDerWaalsContact C-N 3.33Å; H100-F102 PolarHBondContact O-N 3.26Å; H100-K103 PolarHBondContact O-N 3.13Å; H100-M104 WeakPolarHBondContact NE2-CE 3.42Å; H100-M104 VanDerWaalsContact O-CB 3.31Å; H100-M104 WeakPolarHBondContact O-CB 3.33Å; H100-M104 PolarHBondContact O-N 3.43Å |
| 101 | Y | 86.7 | Confident | 87.7 | Confident | 100 Ų | 100 | 59.8 Ų | 59.8 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.5 | -74.5 | -60.7 | 0 | 0 | 0 | 112.8 | L97 Q98 M104 H105 | L97-Y101 HydrophobicContact CB-CE2 4.42Å; L97-Y101 WeakPolarHBondContact O-CD2 3.28Å; L97-Y101 PolarHBondContact O-N 2.83Å; Q98-Y101 PolarHBondContact O-N 2.82Å; Y101-M104 HydrophobicContact CD1-CE 3.97Å; Y101-M104 HydrophobicContact CE1-CE 4.08Å; Y101-H105 PolarHBondContact O-ND1 2.87Å |
| 102 | F | 91.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -50.5 | 174.4 | -177.5 | -93.3 | 0 | 0 | 0 | 111.1 | Q98 L99 H100 M104 H105 D106 N111 L113 Y163 F166 | Q98-F102 PolarHBondContact O-N 2.85Å; Q98-F102 VanDerWaalsContact O-N 3.1Å; L99-F102 PolarHBondContact O-N 2.96Å; H100-F102 VanDerWaalsContact C-N 3.33Å; H100-F102 PolarHBondContact O-N 3.26Å; F102-M104 PolarHBondContact O-N 3.43Å; F102-H105 PolarHBondContact O-N 3.41Å; F102-D106 PolarHBondContact O-N 3.09Å; F102-N111 WeakPolarHBondContact CZ-O 3.45Å; F102-L113 HydrophobicContact CD2-CD1 3.53Å; F102-L113 HydrophobicContact CD2-CG 3.91Å; F102-L113 HydrophobicContact CE2-CD1 3.75Å; F102-L113 HydrophobicContact CE2-CG 3.68Å; F102-L113 HydrophobicContact CG-CD1 4.39Å; F102-L113 HydrophobicContact CZ-CG 4.28Å; F102-Y163 HydrophobicContact CB-CD2 4.31Å; F102-Y163 HydrophobicContact CD1-CD2 4.2Å; F102-Y163 HydrophobicContact CD2-CD2 4.34Å; F102-Y163 HydrophobicContact CG-CD2 4.03Å; F102-F166 HydrophobicContact CB-CD1 4.19Å; F102-F166 HydrophobicContact CB-CE1 4.07Å; F102-F166 HydrophobicContact CD2-CB 4.04Å; F102-F166 AromaticContact CD2-CD1 3.93Å; F102-F166 HydrophobicContact CD2-CD1 3.93Å; F102-F166 HydrophobicContact CD2-CD2 4.46Å; F102-F166 HydrophobicContact CD2-CE1 4.5Å; F102-F166 AromaticContact CD2-CG 3.9Å; F102-F166 HydrophobicContact CD2-CG 3.9Å; F102-F166 HydrophobicContact CE2-CB 4.26Å; F102-F166 HydrophobicContact CG-CD1 4.46Å |
| 103 | K | 91.1 | Very high | 89.7 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.7 | -28.3 | 179.9 | -69.9 | -70 | 91.3 | -169.2 | 0 | 114.2 | L81 L99 H100 H105 D106 N111 | L81-K103 HydrophobicContact CD2-CD 4.38Å; L81-K103 HydrophobicContact CG-CD 4.26Å; L99-K103 HydrophobicContact CD1-CG 4.06Å; L99-K103 HydrophobicContact CG-CG 4.35Å; L99-K103 WeakPolarHBondContact O-CB 3.42Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 2.95Å; H100-K103 PolarHBondContact O-N 3.13Å; K103-H105 PolarHBondContact O-N 2.78Å; K103-D106 IonicContact NZ-OD2 3.89Å; K103-D106 PolarHBondContact NZ-OD2 3.25Å; K103-N111 PolarHBondContact NZ-OD1 3.31Å |
| 104 | M | 89.9 | Confident | 90.4 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -28.6 | 178.3 | -174.5 | -162.6 | -63.2 | 0 | 0 | 112.3 | H100 Y101 F102 Y107 | H100-M104 WeakPolarHBondContact NE2-CE 3.42Å; H100-M104 VanDerWaalsContact O-CB 3.31Å; H100-M104 WeakPolarHBondContact O-CB 3.33Å; H100-M104 PolarHBondContact O-N 3.43Å; Y101-M104 HydrophobicContact CD1-CE 3.97Å; Y101-M104 HydrophobicContact CE1-CE 4.08Å; F102-M104 PolarHBondContact O-N 3.43Å; M104-Y107 WeakPolarHBondContact O-CE1 3.25Å |
| 105 | H | 92.5 | Very high | 91 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -107 | -10 | -174.9 | -61.7 | 93 | 0 | 0 | 0 | 114.1 | Y101 F102 K103 Y107 L113 E117 A121 | Y101-H105 PolarHBondContact O-ND1 2.87Å; F102-H105 PolarHBondContact O-N 3.41Å; K103-H105 PolarHBondContact O-N 2.78Å; H105-Y107 VanDerWaalsContact O-CD2 3.3Å; H105-Y107 WeakPolarHBondContact O-CD2 3.13Å; H105-Y107 WeakPolarHBondContact O-CE2 3.19Å; H105-Y107 PolarHBondContact O-N 3.02Å; H105-Y107 VanDerWaalsContact O-N 3.16Å; H105-L113 HydrophobicContact CB-CD2 3.97Å; H105-E117 WeakPolarHBondContact O-CB 3.18Å; H105-E117 VanDerWaalsContact O-CG 3.31Å; H105-E117 WeakPolarHBondContact O-CG 3.46Å; H105-A121 HydrophobicContact CB-CB 4.4Å; H105-A121 WeakPolarHBondContact CD2-CA 3.34Å; H105-A121 WeakPolarHBondContact CD2-CB 3.49Å; H105-A121 WeakPolarHBondContact NE2-CA 3.49Å |
| 106 | D | 94.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | trans | -79 | 88.2 | 169.1 | 175.2 | 5.7 | 0 | 0 | 0 | 109.3 | F102 K103 G109 N110 N111 L113 E117 | F102-D106 PolarHBondContact O-N 3.09Å; K103-D106 IonicContact NZ-OD2 3.89Å; K103-D106 PolarHBondContact NZ-OD2 3.25Å; D106-G109 WeakPolarHBondContact OD1-CA 3.31Å; D106-G109 PolarHBondContact OD1-N 3.43Å; D106-N110 PolarHBondContact OD1-N 3.17Å; D106-N110 VanDerWaalsContact OD1-N 3.15Å; D106-N111 WeakPolarHBondContact OD2-CA 3.39Å; D106-N111 PolarHBondContact OD2-N 2.93Å; D106-L113 HydrophobicContact CB-CD2 4.22Å; D106-E117 WeakPolarHBondContact CA-OE1 3.4Å | ||
| 107 | Y | 91.8 | Very high | 92.4 | Very high | 145 Ų | 145 | 49.7 Ų | 49.7 | 57% | 0.569 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -81.7 | -23.8 | -172 | -61.5 | -62.6 | 0 | 0 | 0 | 113 | M104 H105 E117 T120 | M104-Y107 WeakPolarHBondContact O-CE1 3.25Å; H105-Y107 VanDerWaalsContact O-CD2 3.3Å; H105-Y107 WeakPolarHBondContact O-CD2 3.13Å; H105-Y107 WeakPolarHBondContact O-CE2 3.19Å; H105-Y107 PolarHBondContact O-N 3.02Å; H105-Y107 VanDerWaalsContact O-N 3.16Å; Y107-E117 HydrophobicContact CD2-CG 4.06Å; Y107-E117 PolarHBondContact N-OE1 3.3Å; Y107-T120 HydrophobicContact CE2-CG2 4.32Å; Y107-T120 WeakPolarHBondContact CE2-OG1 3.41Å |
| 108 | D | 93.9 | Very high | 92.9 | Very high | 102 Ų | 102 | 48.4 Ų | 48.4 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -95.2 | -10.7 | -179.9 | 79 | 4.1 | 0 | 0 | 0 | 113.2 | N110 | D108-N110 VanDerWaalsContact CG-ND2 3.3Å; D108-N110 WeakPolarHBondContact OD1-CB 3.42Å; D108-N110 PolarHBondContact OD1-N 2.72Å; D108-N110 PolarHBondContact OD1-ND2 2.8Å; D108-N110 PolarHBondContact OD1-OD1 3.33Å; D108-N110 PolarHBondContact OD2-ND2 2.95Å |
| 109 | G | 94.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | trans | 76.8 | 20.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | D106 N111 | D106-G109 WeakPolarHBondContact OD1-CA 3.31Å; D106-G109 PolarHBondContact OD1-N 3.43Å; G109-N111 VanDerWaalsContact C-N 3.26Å; G109-N111 PolarHBondContact O-N 2.93Å | ||
| 110 | N | 95.1 | Very high | 93.4 | Very high | 54 Ų | 54 | 50 Ų | 50 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -79.9 | -5.2 | -178.2 | 69.9 | 19.5 | 0 | 0 | 0 | 113.3 | D106 D108 L112 | D106-N110 PolarHBondContact OD1-N 3.17Å; D106-N110 VanDerWaalsContact OD1-N 3.15Å; D108-N110 VanDerWaalsContact CG-ND2 3.3Å; D108-N110 WeakPolarHBondContact OD1-CB 3.42Å; D108-N110 PolarHBondContact OD1-N 2.72Å; D108-N110 PolarHBondContact OD1-ND2 2.8Å; D108-N110 PolarHBondContact OD1-OD1 3.33Å; D108-N110 PolarHBondContact OD2-ND2 2.95Å; N110-L112 VanDerWaalsContact C-N 3.32Å; N110-L112 WeakPolarHBondContact OD1-CA 3.31Å; N110-L112 WeakPolarHBondContact OD1-CB 3.42Å; N110-L112 PolarHBondContact OD1-N 3.45Å; N110-L112 PolarHBondContact OD1-O 2.84Å; N110-L112 VanDerWaalsContact OD1-O 3.13Å |
| 111 | N | 94.9 | Very high | 93.4 | Very high | 77 Ų | 77 | 49.5 Ų | 49.5 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 66.1 | 28.4 | -175.5 | -52.4 | -74.8 | 0 | 0 | 0 | 115 | F102 K103 D106 G109 | F102-N111 WeakPolarHBondContact CZ-O 3.45Å; K103-N111 PolarHBondContact NZ-OD1 3.31Å; D106-N111 WeakPolarHBondContact OD2-CA 3.39Å; D106-N111 PolarHBondContact OD2-N 2.93Å; G109-N111 VanDerWaalsContact C-N 3.26Å; G109-N111 PolarHBondContact O-N 2.93Å |
| 112 | L | 96.8 | Very high | 93.4 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 157.7 | 176.7 | -58.5 | 172.6 | 0 | 0 | 0 | 108.1 | N110 Y160 D162 | N110-L112 VanDerWaalsContact C-N 3.32Å; N110-L112 WeakPolarHBondContact OD1-CA 3.31Å; N110-L112 WeakPolarHBondContact OD1-CB 3.42Å; N110-L112 PolarHBondContact OD1-N 3.45Å; N110-L112 PolarHBondContact OD1-O 2.84Å; N110-L112 VanDerWaalsContact OD1-O 3.13Å; L112-Y160 HydrophobicContact CB-CD1 3.76Å; L112-Y160 HydrophobicContact CB-CG 4.09Å; L112-Y160 HydrophobicContact CD1-CD1 4.07Å; L112-Y160 HydrophobicContact CD1-CD2 4.37Å; L112-Y160 HydrophobicContact CD1-CG 3.94Å; L112-D162 HydrophobicContact CD2-CB 3.8Å |
| 113 | L | 97.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 117.1 | 170.3 | -68.2 | 176.5 | 0 | 0 | 0 | 109.9 | F102 H105 D106 E117 L118 Y160 I161 | F102-L113 HydrophobicContact CD2-CD1 3.53Å; F102-L113 HydrophobicContact CD2-CG 3.91Å; F102-L113 HydrophobicContact CE2-CD1 3.75Å; F102-L113 HydrophobicContact CE2-CG 3.68Å; F102-L113 HydrophobicContact CG-CD1 4.39Å; F102-L113 HydrophobicContact CZ-CG 4.28Å; H105-L113 HydrophobicContact CB-CD2 3.97Å; D106-L113 HydrophobicContact CB-CD2 4.22Å; L113-E117 WeakPolarHBondContact CA-OE2 3.21Å; L113-E117 HydrophobicContact CD2-CB 4.13Å; L113-L118 HydrophobicContact CB-CD2 4.31Å; L113-L118 HydrophobicContact CB-CG 4.46Å; L113-L118 HydrophobicContact CD1-CD2 4.36Å; L113-Y160 CarbonylContact O-C 3.59Å; L113-Y160 WeakPolarHBondContact O-CA 3.31Å; L113-I161 HydrophobicContact CB-CB 4.49Å; L113-I161 PolarHBondContact N-O 3.31Å; L113-I161 PolarHBondContact O-N 2.77Å |
| 114 | D | 97.8 | Very high | 91.9 | Very high | 35 Ų | 35 | 50.1 Ų | 50.1 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 171.2 | 173.1 | 78.2 | 33.8 | 0 | 0 | 0 | 112.9 | L116 E117 L118 Y160 | D114-L116 PolarHBondContact O-N 3.3Å; D114-L116 VanDerWaalsContact OD1-CA 3.29Å; D114-L116 WeakPolarHBondContact OD1-CA 3.48Å; D114-L116 VanDerWaalsContact OD1-CB 3.25Å; D114-L116 WeakPolarHBondContact OD1-CB 3.32Å; D114-L116 PolarHBondContact OD1-N 3.44Å; D114-E117 PolarHBondContact N-OE2 3.32Å; D114-E117 PolarHBondContact O-N 2.91Å; D114-E117 PolarHBondContact OD1-N 3.33Å; D114-L118 VanDerWaalsContact O-CG 3.29Å; D114-L118 WeakPolarHBondContact O-CG 3.08Å; D114-L118 PolarHBondContact O-N 3.4Å; D114-Y160 HydrophobicContact CB-CD1 3.75Å; D114-Y160 HydrophobicContact CB-CE1 3.67Å |
| 115 | G | 96.9 | Very high | 90.6 | Very high | 21 Ų | 21 | 50.6 Ų | 50.6 | 22% | 0.216 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -29.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S119 | G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-N 2.86Å |
| 116 | L | 96.4 | Very high | 89 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 69% | 0.691 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -75.1 | -40.5 | 176.2 | -60.5 | 178 | 0 | 0 | 0 | 110.8 | D114 S119 T120 | D114-L116 PolarHBondContact O-N 3.3Å; D114-L116 VanDerWaalsContact OD1-CA 3.29Å; D114-L116 WeakPolarHBondContact OD1-CA 3.48Å; D114-L116 VanDerWaalsContact OD1-CB 3.25Å; D114-L116 WeakPolarHBondContact OD1-CB 3.32Å; D114-L116 PolarHBondContact OD1-N 3.44Å; L116-S119 WeakPolarHBondContact O-CB 3.46Å; L116-S119 PolarHBondContact O-N 2.56Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L116-S119 PolarHBondContact O-OG 3.25Å; L116-T120 PolarHBondContact O-N 3.17Å; L116-T120 VanDerWaalsContact O-N 3.14Å; L116-T120 PolarHBondContact O-OG1 2.79Å; L116-T120 VanDerWaalsContact O-OG1 3.13Å |
| 117 | E | 96.3 | Very high | 87.2 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 174.9 | -67.4 | 176.8 | 137.1 | 0 | 0 | 111.7 | H105 D106 Y107 L113 D114 S119 T120 A121 | H105-E117 WeakPolarHBondContact O-CB 3.18Å; H105-E117 VanDerWaalsContact O-CG 3.31Å; H105-E117 WeakPolarHBondContact O-CG 3.46Å; D106-E117 WeakPolarHBondContact CA-OE1 3.4Å; Y107-E117 HydrophobicContact CD2-CG 4.06Å; Y107-E117 PolarHBondContact N-OE1 3.3Å; L113-E117 WeakPolarHBondContact CA-OE2 3.21Å; L113-E117 HydrophobicContact CD2-CB 4.13Å; D114-E117 PolarHBondContact N-OE2 3.32Å; D114-E117 PolarHBondContact O-N 2.91Å; D114-E117 PolarHBondContact OD1-N 3.33Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.03Å; E117-T120 VanDerWaalsContact C-OG1 3.32Å; E117-T120 WeakPolarHBondContact CA-OG1 3.18Å; E117-T120 PolarHBondContact O-N 3.28Å; E117-T120 PolarHBondContact O-OG1 3.12Å; E117-A121 PolarHBondContact O-N 3.32Å; E117-A121 VanDerWaalsContact O-N 3.09Å |
| 118 | L | 94.6 | Very high | 85.4 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 170.5 | -67.7 | 172.7 | 0 | 0 | 0 | 111.6 | L113 D114 T120 A121 I122 I146 V149 L150 I161 | L113-L118 HydrophobicContact CB-CD2 4.31Å; L113-L118 HydrophobicContact CB-CG 4.46Å; L113-L118 HydrophobicContact CD1-CD2 4.36Å; D114-L118 VanDerWaalsContact O-CG 3.29Å; D114-L118 WeakPolarHBondContact O-CG 3.08Å; D114-L118 PolarHBondContact O-N 3.4Å; L118-T120 VanDerWaalsContact C-N 3.29Å; L118-T120 PolarHBondContact O-N 3.15Å; L118-A121 WeakPolarHBondContact O-CB 3.45Å; L118-A121 PolarHBondContact O-N 3.01Å; L118-A121 VanDerWaalsContact O-N 3.17Å; L118-I122 WeakPolarHBondContact O-CD1 3.25Å; L118-I122 VanDerWaalsContact O-CG1 3.3Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 2.94Å; L118-I146 HydrophobicContact CB-CG1 4.48Å; L118-V149 HydrophobicContact CD1-CG1 3.91Å; L118-V149 HydrophobicContact CD2-CG1 4.33Å; L118-L150 HydrophobicContact CD1-CD2 4.05Å; L118-L150 HydrophobicContact CD1-CG 4.31Å; L118-I161 HydrophobicContact CD1-CD1 4.15Å |
| 119 | S | 93 | Very high | 83.5 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 179.9 | 83.8 | 0 | 0 | 0 | 0 | 112.5 | G115 L116 E117 T123 | G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-N 2.86Å; L116-S119 WeakPolarHBondContact O-CB 3.46Å; L116-S119 PolarHBondContact O-N 2.56Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L116-S119 PolarHBondContact O-OG 3.25Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.03Å; S119-T123 WeakPolarHBondContact O-CB 3.29Å; S119-T123 PolarHBondContact O-N 3.17Å; S119-T123 VanDerWaalsContact O-N 3.1Å; S119-T123 PolarHBondContact O-OG1 2.97Å |
| 120 | T | 89.6 | Confident | 81.1 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 176.5 | 35.9 | 0 | 0 | 0 | 0 | 111.7 | Y107 L116 E117 L118 T123 H124 | Y107-T120 HydrophobicContact CE2-CG2 4.32Å; Y107-T120 WeakPolarHBondContact CE2-OG1 3.41Å; L116-T120 PolarHBondContact O-N 3.17Å; L116-T120 VanDerWaalsContact O-N 3.14Å; L116-T120 PolarHBondContact O-OG1 2.79Å; L116-T120 VanDerWaalsContact O-OG1 3.13Å; E117-T120 VanDerWaalsContact C-OG1 3.32Å; E117-T120 WeakPolarHBondContact CA-OG1 3.18Å; E117-T120 PolarHBondContact O-N 3.28Å; E117-T120 PolarHBondContact O-OG1 3.12Å; L118-T120 VanDerWaalsContact C-N 3.29Å; L118-T120 PolarHBondContact O-N 3.15Å; T120-T123 PolarHBondContact O-N 2.9Å; T120-H124 VanDerWaalsContact O-CB 3.31Å; T120-H124 WeakPolarHBondContact O-CB 3.35Å; T120-H124 PolarHBondContact O-N 3.34Å |
| 121 | A | 87.1 | Confident | 78.9 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | H105 E117 L118 T123 H124 V125 | H105-A121 HydrophobicContact CB-CB 4.4Å; H105-A121 WeakPolarHBondContact CD2-CA 3.34Å; H105-A121 WeakPolarHBondContact CD2-CB 3.49Å; H105-A121 WeakPolarHBondContact NE2-CA 3.49Å; E117-A121 PolarHBondContact O-N 3.32Å; E117-A121 VanDerWaalsContact O-N 3.09Å; L118-A121 WeakPolarHBondContact O-CB 3.45Å; L118-A121 PolarHBondContact O-N 3.01Å; L118-A121 VanDerWaalsContact O-N 3.17Å; A121-T123 PolarHBondContact O-N 3.43Å; A121-H124 WeakPolarHBondContact O-CB 3.31Å; A121-H124 PolarHBondContact O-N 3.42Å; A121-V125 PolarHBondContact O-N 2.94Å |
| 122 | I | 85.9 | Confident | 76.9 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 15% | 0.154 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | -179.5 | -66.4 | 160.1 | 0 | 0 | 0 | 110.8 | L118 H124 H126 M137 L142 I145 I146 | L118-I122 WeakPolarHBondContact O-CD1 3.25Å; L118-I122 VanDerWaalsContact O-CG1 3.3Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 2.94Å; I122-H124 VanDerWaalsContact C-N 3.31Å; I122-H124 PolarHBondContact O-N 2.94Å; I122-H126 PolarHBondContact O-N 3.23Å; I122-M137 HydrophobicContact CG2-CE 3.41Å; I122-M137 VanDerWaalsContact CG2-CE 3.41Å; I122-M137 HydrophobicContact CG2-SD 3.96Å; I122-L142 HydrophobicContact CB-CD1 4.01Å; I122-L142 HydrophobicContact CD1-CD1 4.17Å; I122-L142 HydrophobicContact CG2-CD1 3.79Å; I122-I145 HydrophobicContact CD1-CB 4.36Å; I122-I145 HydrophobicContact CD1-CG2 3.59Å; I122-I145 HydrophobicContact CG1-CG2 4.32Å; I122-I145 HydrophobicContact CG2-CD1 4.41Å; I122-I146 HydrophobicContact CD1-CG1 3.84Å |
| 123 | T | 80.7 | Confident | 74.6 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.6 | -29.9 | 180 | -53 | 0 | 0 | 0 | 0 | 112.1 | S119 T120 A121 K127 L136 | S119-T123 WeakPolarHBondContact O-CB 3.29Å; S119-T123 PolarHBondContact O-N 3.17Å; S119-T123 VanDerWaalsContact O-N 3.1Å; S119-T123 PolarHBondContact O-OG1 2.97Å; T120-T123 PolarHBondContact O-N 2.9Å; A121-T123 PolarHBondContact O-N 3.43Å; T123-K127 HydrophobicContact CG2-CD 4.43Å; T123-K127 WeakPolarHBondContact O-CG 3.29Å; T123-K127 PolarHBondContact O-N 2.87Å; T123-L136 HydrophobicContact CG2-CD2 4.46Å |
| 124 | H | 71.1 | Confident | 72.4 | Confident | 90 Ų | 90 | 78.2 Ų | 78.2 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.9 | -50.5 | 176.4 | -168.6 | 68.9 | 0 | 0 | 0 | 111.2 | T120 A121 I122 H126 K127 E128 | T120-H124 VanDerWaalsContact O-CB 3.31Å; T120-H124 WeakPolarHBondContact O-CB 3.35Å; T120-H124 PolarHBondContact O-N 3.34Å; A121-H124 WeakPolarHBondContact O-CB 3.31Å; A121-H124 PolarHBondContact O-N 3.42Å; I122-H124 VanDerWaalsContact C-N 3.31Å; I122-H124 PolarHBondContact O-N 2.94Å; H124-H126 VanDerWaalsContact C-N 3.3Å; H124-H126 PolarHBondContact O-N 3.16Å; H124-K127 PolarHBondContact O-N 3.46Å; H124-K127 VanDerWaalsContact O-N 3.11Å; H124-E128 IonicContact NE2-OE1 3.91Å; H124-E128 PolarHBondContact O-N 3.1Å |
| 125 | V | 63 | Low | 70.5 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 44% | 0.442 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.2 | -43 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | A121 K127 E128 E129 | A121-V125 PolarHBondContact O-N 2.94Å; V125-K127 VanDerWaalsContact C-N 3.26Å; V125-K127 PolarHBondContact O-N 3.02Å; V125-E128 PolarHBondContact O-N 2.89Å; V125-E129 PolarHBondContact O-N 2.75Å |
| 126 | H | 58 | Low | 69.1 | Low | 87 Ų | 87 | 87.3 Ų | 87.3 | 40% | 0.403 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -24.8 | -179.7 | -85.1 | 27.1 | 0 | 0 | 0 | 114.8 | I122 H124 M137 | I122-H126 PolarHBondContact O-N 3.23Å; H124-H126 VanDerWaalsContact C-N 3.3Å; H124-H126 PolarHBondContact O-N 3.16Å; H126-M137 WeakPolarHBondContact CD2-CE 3.32Å; H126-M137 WeakPolarHBondContact NE2-CE 3.45Å |
| 127 | K | 57.2 | Low | 68.4 | Low | 140 Ų | 140 | 82.4 Ų | 82.4 | 61% | 0.609 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -81.5 | -23.6 | 176.4 | -70.6 | 173.3 | 110.2 | 176.5 | 0 | 112.6 | T123 H124 V125 L136 | T123-K127 HydrophobicContact CG2-CD 4.43Å; T123-K127 WeakPolarHBondContact O-CG 3.29Å; T123-K127 PolarHBondContact O-N 2.87Å; H124-K127 PolarHBondContact O-N 3.46Å; H124-K127 VanDerWaalsContact O-N 3.11Å; V125-K127 VanDerWaalsContact C-N 3.26Å; V125-K127 PolarHBondContact O-N 3.02Å; K127-L136 HydrophobicContact CG-CD2 4.39Å |
| 128 | E | 54.1 | Low | 68.1 | Low | 151 Ų | 151 | 84.9 Ų | 84.9 | 71% | 0.706 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -83.8 | -31.6 | 178.1 | -59.3 | -140.2 | 150.8 | 0 | 0 | 112.4 | H124 V125 | H124-E128 IonicContact NE2-OE1 3.91Å; H124-E128 PolarHBondContact O-N 3.1Å; V125-E128 PolarHBondContact O-N 2.89Å |
| 129 | E | 53 | Low | 67.9 | Low | 158 Ų | 158 | 91.6 Ų | 91.6 | 74% | 0.738 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -82.8 | -21.8 | -179.8 | -65.9 | -172.7 | 178.8 | 0 | 0 | 113.9 | V125 | V125-E129 PolarHBondContact O-N 2.75Å |
| 130 | G | 45.4 | Very low | 67.9 | Low | 21 Ų | 21 | 96 Ų | 96 | 22% | 0.216 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -98.3 | 130 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 131 | S | 48.1 | Very low | 68 | Low | 100 Ų | 100 | 98 Ų | 98 | 70% | 0.699 | 52% | 0.518 | S | S | * | . | trans | -47.3 | 152.1 | 158.5 | 56 | 0 | 0 | 0 | 0 | 109.5 | Q133 A134 | S131-Q133 PolarHBondContact O-N 2.9Å; S131-A134 PolarHBondContact O-N 2.91Å | ||
| 132 | E | 53.6 | Low | 68.3 | Low | 206 Ų | 206 | 98.5 Ų | 98.5 | 96% | 0.963 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 13.6 | -167.9 | -55.3 | -155.2 | 160.8 | 0 | 0 | 117.7 | ||
| 133 | Q | 47.1 | Very low | 68.7 | Low | 179 Ų | 179 | 101 Ų | 101 | 84% | 0.836 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.9 | 7.7 | -180 | -57.7 | -173.9 | -13.9 | 0 | 0 | 113.7 | S131 | S131-Q133 PolarHBondContact O-N 2.9Š|
| 134 | A | 52.6 | Low | 69.4 | Low | 51 Ų | 51 | 104.3 Ų | 104.3 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 127.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S131 L136 | S131-A134 PolarHBondContact O-N 2.91Å; A134-L136 PolarHBondContact O-N 3.11Å |
| 135 | P | 56.8 | Low | 70.6 | Confident | 122 Ų | 122 | 102.9 Ų | 102.9 | 79% | 0.792 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -56 | 129.4 | 173.4 | -22.6 | 33.1 | 0 | 0 | 0 | 109.3 | M137 | P135-M137 PolarHBondContact O-N 2.92Š|
| 136 | L | 68.2 | Low | 72.1 | Confident | 125 Ų | 125 | 100.3 Ų | 100.3 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 135.3 | 166.4 | -64.8 | 171.2 | 0 | 0 | 0 | 107.6 | T123 K127 A134 | T123-L136 HydrophobicContact CG2-CD2 4.46Å; K127-L136 HydrophobicContact CG-CD2 4.39Å; A134-L136 PolarHBondContact O-N 3.11Å |
| 137 | M | 81.6 | Confident | 74 | Confident | 28 Ų | 28 | 100.2 Ų | 100.2 | 14% | 0.138 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 149.6 | 172.6 | 63.7 | 169.3 | 67 | 0 | 0 | 109.8 | I122 H126 P135 L142 I145 | I122-M137 HydrophobicContact CG2-CE 3.41Å; I122-M137 VanDerWaalsContact CG2-CE 3.41Å; I122-M137 HydrophobicContact CG2-SD 3.96Å; H126-M137 WeakPolarHBondContact CD2-CE 3.32Å; H126-M137 WeakPolarHBondContact NE2-CE 3.45Å; P135-M137 PolarHBondContact O-N 2.92Å; M137-L142 HydrophobicContact CG-CB 4.31Å; M137-L142 HydrophobicContact SD-CB 3.63Å; M137-L142 HydrophobicContact SD-CD1 3.65Å; M137-L142 HydrophobicContact SD-CG 4.18Å; M137-I145 HydrophobicContact CE-CD1 4.04Å; M137-I145 HydrophobicContact SD-CD1 4.12Å |
| 138 | S | 89.8 | Confident | 75.9 | Confident | 61 Ų | 61 | 94 Ų | 94 | 43% | 0.427 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 152.2 | 177.5 | 67.4 | 0 | 0 | 0 | 0 | 111 | D140 E141 L142 | S138-D140 PolarHBondContact O-N 3.04Å; S138-E141 WeakPolarHBondContact O-CB 3.3Å; S138-E141 PolarHBondContact O-N 3.26Å; S138-E141 VanDerWaalsContact O-N 3.11Å; S138-E141 VanDerWaalsContact OG-CB 3.28Å; S138-E141 WeakPolarHBondContact OG-CB 3.35Å; S138-E141 PolarHBondContact OG-N 3.01Å; S138-L142 PolarHBondContact O-N 3.1Å |
| 139 | E | 89.6 | Confident | 77.8 | Confident | 160 Ų | 160 | 88.9 Ų | 88.9 | 75% | 0.748 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.8 | -39 | 176 | -68.1 | 178.3 | 178.4 | 0 | 0 | 111.5 | E141 L142 I143 | E139-E141 VanDerWaalsContact C-N 3.33Å; E139-E141 PolarHBondContact O-N 3.23Å; E139-L142 PolarHBondContact O-N 3.39Å; E139-I143 WeakPolarHBondContact O-CB 3.08Å; E139-I143 WeakPolarHBondContact O-CD1 3.43Å; E139-I143 VanDerWaalsContact O-CG1 3.26Å; E139-I143 WeakPolarHBondContact O-CG1 3.33Å; E139-I143 PolarHBondContact O-N 3.48Å |
| 140 | D | 93.6 | Very high | 79.9 | Confident | 117 Ų | 117 | 82.9 Ų | 82.9 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 176.9 | -65.5 | -35.3 | 0 | 0 | 0 | 111.8 | S138 N144 | S138-D140 PolarHBondContact O-N 3.04Å; D140-N144 WeakPolarHBondContact O-CB 3.42Å; D140-N144 VanDerWaalsContact O-CG 3.26Å; D140-N144 PolarHBondContact O-N 2.8Å; D140-N144 PolarHBondContact O-ND2 3.24Å |
| 141 | E | 92.5 | Very high | 82.4 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 46% | 0.458 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 176.4 | -177 | 172.9 | -161.5 | 0 | 0 | 111.4 | S138 E139 I143 N144 I145 | S138-E141 WeakPolarHBondContact O-CB 3.3Å; S138-E141 PolarHBondContact O-N 3.26Å; S138-E141 VanDerWaalsContact O-N 3.11Å; S138-E141 VanDerWaalsContact OG-CB 3.28Å; S138-E141 WeakPolarHBondContact OG-CB 3.35Å; S138-E141 PolarHBondContact OG-N 3.01Å; E139-E141 VanDerWaalsContact C-N 3.33Å; E139-E141 PolarHBondContact O-N 3.23Å; E141-I143 PolarHBondContact O-N 2.85Å; E141-N144 PolarHBondContact O-N 2.89Å; E141-I145 HydrophobicContact CG-CD1 4.28Å; E141-I145 WeakPolarHBondContact O-CG1 3.39Å; E141-I145 PolarHBondContact O-N 3.16Å |
| 142 | L | 92.3 | Very high | 84.7 | Confident | 30 Ų | 30 | 89.2 Ų | 89.2 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.4 | -178.9 | 58.7 | 0 | 0 | 0 | 111.7 | I122 M137 S138 E139 N144 I145 I146 | I122-L142 HydrophobicContact CB-CD1 4.01Å; I122-L142 HydrophobicContact CD1-CD1 4.17Å; I122-L142 HydrophobicContact CG2-CD1 3.79Å; M137-L142 HydrophobicContact CG-CB 4.31Å; M137-L142 HydrophobicContact SD-CB 3.63Å; M137-L142 HydrophobicContact SD-CD1 3.65Å; M137-L142 HydrophobicContact SD-CG 4.18Å; S138-L142 PolarHBondContact O-N 3.1Å; E139-L142 PolarHBondContact O-N 3.39Å; L142-N144 VanDerWaalsContact C-N 3.34Å; L142-N144 PolarHBondContact O-N 3.45Å; L142-I145 PolarHBondContact O-N 3.49Å; L142-I146 HydrophobicContact CD1-CD1 3.95Å; L142-I146 HydrophobicContact CD1-CG1 4.35Å; L142-I146 HydrophobicContact CG-CD1 3.83Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.12Å; L142-I146 PolarHBondContact O-N 2.99Å |
| 143 | I | 94.8 | Very high | 86.8 | Confident | 83 Ų | 83 | 80.9 Ų | 80.9 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.1 | -70.8 | 160.6 | 0 | 0 | 0 | 110.3 | E139 E141 I145 I146 D147 | E139-I143 WeakPolarHBondContact O-CB 3.08Å; E139-I143 WeakPolarHBondContact O-CD1 3.43Å; E139-I143 VanDerWaalsContact O-CG1 3.26Å; E139-I143 WeakPolarHBondContact O-CG1 3.33Å; E139-I143 PolarHBondContact O-N 3.48Å; E141-I143 PolarHBondContact O-N 2.85Å; I143-I145 VanDerWaalsContact C-N 3.29Å; I143-I145 PolarHBondContact O-N 2.59Å; I143-I146 PolarHBondContact O-N 3.47Å; I143-D147 WeakPolarHBondContact O-CB 3.22Å; I143-D147 PolarHBondContact O-N 2.97Å |
| 144 | N | 96.2 | Very high | 89.2 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.2 | -35.3 | 179.5 | -75.4 | -54 | 0 | 0 | 0 | 112.9 | D140 E141 L142 G148 | D140-N144 WeakPolarHBondContact O-CB 3.42Å; D140-N144 VanDerWaalsContact O-CG 3.26Å; D140-N144 PolarHBondContact O-N 2.8Å; D140-N144 PolarHBondContact O-ND2 3.24Å; E141-N144 PolarHBondContact O-N 2.89Å; L142-N144 VanDerWaalsContact C-N 3.34Å; L142-N144 PolarHBondContact O-N 3.45Å; N144-G148 PolarHBondContact O-N 3.17Å |
| 145 | I | 94.5 | Very high | 91.3 | Very high | 61 Ų | 61 | 76.7 Ų | 76.7 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.2 | -48.5 | 175.2 | -64.6 | 165 | 0 | 0 | 0 | 110 | I122 M137 E141 L142 I143 G148 V149 | I122-I145 HydrophobicContact CD1-CB 4.36Å; I122-I145 HydrophobicContact CD1-CG2 3.59Å; I122-I145 HydrophobicContact CG1-CG2 4.32Å; I122-I145 HydrophobicContact CG2-CD1 4.41Å; M137-I145 HydrophobicContact CE-CD1 4.04Å; M137-I145 HydrophobicContact SD-CD1 4.12Å; E141-I145 HydrophobicContact CG-CD1 4.28Å; E141-I145 WeakPolarHBondContact O-CG1 3.39Å; E141-I145 PolarHBondContact O-N 3.16Å; L142-I145 PolarHBondContact O-N 3.49Å; I143-I145 VanDerWaalsContact C-N 3.29Å; I143-I145 PolarHBondContact O-N 2.59Å; I145-G148 WeakPolarHBondContact O-CA 3.34Å; I145-G148 PolarHBondContact O-N 3.09Å; I145-G148 VanDerWaalsContact O-N 3.08Å; I145-V149 WeakPolarHBondContact O-CG2 3.13Å; I145-V149 PolarHBondContact O-N 3.16Å |
| 146 | I | 95.6 | Very high | 93.2 | Very high | 19 Ų | 19 | 75 Ų | 75 | 10% | 0.097 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | -180 | -65.6 | 162.7 | 0 | 0 | 0 | 110.8 | L118 I122 L142 I143 G148 V149 L150 | L118-I146 HydrophobicContact CB-CG1 4.48Å; I122-I146 HydrophobicContact CD1-CG1 3.84Å; L142-I146 HydrophobicContact CD1-CD1 3.95Å; L142-I146 HydrophobicContact CD1-CG1 4.35Å; L142-I146 HydrophobicContact CG-CD1 3.83Å; L142-I146 VanDerWaalsContact O-CG1 3.31Å; L142-I146 WeakPolarHBondContact O-CG1 3.12Å; L142-I146 PolarHBondContact O-N 2.99Å; I143-I146 PolarHBondContact O-N 3.47Å; I146-G148 PolarHBondContact O-N 3.13Å; I146-V149 PolarHBondContact O-N 3.14Å; I146-V149 VanDerWaalsContact O-N 3.16Å; I146-L150 HydrophobicContact CG2-CD1 3.99Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 PolarHBondContact O-N 3.36Å |
| 147 | D | 96.9 | Very high | 94.6 | Very high | 84 Ų | 84 | 75.6 Ų | 75.6 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.7 | -31.6 | 175.1 | -76.3 | -6.8 | 0 | 0 | 0 | 111.5 | I143 R151 | I143-D147 WeakPolarHBondContact O-CB 3.22Å; I143-D147 PolarHBondContact O-N 2.97Å; D147-R151 WeakPolarHBondContact O-CB 3.44Å; D147-R151 PolarHBondContact O-N 2.66Å; D147-R151 VanDerWaalsContact O-N 3.1Å; D147-R151 PolarHBondContact O-NH1 3.24Å |
| 148 | G | 96.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 77.8 Ų | 77.8 | 11% | 0.113 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.7 | -55 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N144 I145 I146 R151 D152 | N144-G148 PolarHBondContact O-N 3.17Å; I145-G148 WeakPolarHBondContact O-CA 3.34Å; I145-G148 PolarHBondContact O-N 3.09Å; I145-G148 VanDerWaalsContact O-N 3.08Å; I146-G148 PolarHBondContact O-N 3.13Å; G148-R151 PolarHBondContact O-N 3.25Å; G148-D152 WeakPolarHBondContact O-CB 3.37Å; G148-D152 PolarHBondContact O-N 2.94Å |
| 149 | V | 95.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 76.6 Ų | 76.6 | 26% | 0.255 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.6 | -51.5 | 179.5 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | L118 I145 I146 R151 D152 D153 I161 | L118-V149 HydrophobicContact CD1-CG1 3.91Å; L118-V149 HydrophobicContact CD2-CG1 4.33Å; I145-V149 WeakPolarHBondContact O-CG2 3.13Å; I145-V149 PolarHBondContact O-N 3.16Å; I146-V149 PolarHBondContact O-N 3.14Å; I146-V149 VanDerWaalsContact O-N 3.16Å; V149-R151 PolarHBondContact O-N 3.45Å; V149-D152 PolarHBondContact O-N 3.16Å; V149-D153 WeakPolarHBondContact O-CB 3.37Å; V149-D153 PolarHBondContact O-N 3.08Å; V149-I161 HydrophobicContact CG1-CD1 3.4Å |
| 150 | L | 97.1 | Very high | 96.2 | Very high | 32 Ų | 32 | 73 Ų | 73 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 179.4 | -68.9 | 174.9 | 0 | 0 | 0 | 111.5 | L118 I146 D152 D153 D154 I161 | L118-L150 HydrophobicContact CD1-CD2 4.05Å; L118-L150 HydrophobicContact CD1-CG 4.31Å; I146-L150 HydrophobicContact CG2-CD1 3.99Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 PolarHBondContact O-N 3.36Å; L150-D152 PolarHBondContact O-N 3.32Å; L150-D153 PolarHBondContact O-N 3.39Å; L150-D154 HydrophobicContact CD2-CB 4.43Å; L150-D154 WeakPolarHBondContact O-CB 3.49Å; L150-D154 PolarHBondContact O-N 2.81Å; L150-I161 HydrophobicContact CD2-CD1 4.15Å; L150-I161 HydrophobicContact CD2-CG1 4.04Å |
| 151 | R | 97.8 | Very high | 96.3 | Very high | 167 Ų | 167 | 67.5 Ų | 67.5 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.7 | -38.2 | 178.6 | 178.8 | -173.3 | 62.5 | -109.5 | -1 | 112.6 | D147 G148 V149 | D147-R151 WeakPolarHBondContact O-CB 3.44Å; D147-R151 PolarHBondContact O-N 2.66Å; D147-R151 VanDerWaalsContact O-N 3.1Å; D147-R151 PolarHBondContact O-NH1 3.24Å; G148-R151 PolarHBondContact O-N 3.25Å; V149-R151 PolarHBondContact O-N 3.45Å |
| 152 | D | 96.5 | Very high | 96.5 | Very high | 88 Ų | 88 | 65.3 Ų | 65.3 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -86.6 | -28.6 | -172.1 | -63.8 | -10.4 | 0 | 0 | 0 | 111.5 | G148 V149 L150 K155 | G148-D152 WeakPolarHBondContact O-CB 3.37Å; G148-D152 PolarHBondContact O-N 2.94Å; V149-D152 PolarHBondContact O-N 3.16Å; L150-D152 PolarHBondContact O-N 3.32Å; D152-K155 PolarHBondContact O-NZ 3.23Å |
| 153 | D | 96.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -116 | -32.3 | -170.6 | -64.6 | -28.6 | 0 | 0 | 0 | 115.3 | V149 L150 K155 I161 S169 | V149-D153 WeakPolarHBondContact O-CB 3.37Å; V149-D153 PolarHBondContact O-N 3.08Å; L150-D153 PolarHBondContact O-N 3.39Å; D153-K155 WeakPolarHBondContact O-CG 3.46Å; D153-K155 PolarHBondContact O-N 2.9Å; D153-I161 HydrophobicContact CB-CD1 3.87Å; D153-I161 HydrophobicContact CB-CG1 4.45Å; D153-S169 WeakPolarHBondContact OD1-CB 3.48Å; D153-S169 WeakPolarHBondContact OD2-CB 3.38Å; D153-S169 PolarHBondContact OD2-OG 3.02Å |
| 154 | D | 97.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | trans | -71.6 | 97.6 | 174.5 | 172.6 | 4.3 | 0 | 0 | 0 | 109 | L150 N156 N157 D158 G159 Y160 I161 | L150-D154 HydrophobicContact CD2-CB 4.43Å; L150-D154 WeakPolarHBondContact O-CB 3.49Å; L150-D154 PolarHBondContact O-N 2.81Å; D154-N156 PolarHBondContact OD1-N 2.97Å; D154-N156 PolarHBondContact OD1-OD1 3.24Å; D154-N157 WeakPolarHBondContact OD1-CA 3.36Å; D154-N157 PolarHBondContact OD1-N 2.89Å; D154-N157 WeakPolarHBondContact OD2-CA 3.45Å; D154-D158 PolarHBondContact OD1-N 3.46Å; D154-D158 PolarHBondContact OD2-N 3.1Å; D154-G159 WeakPolarHBondContact OD2-CA 3.49Å; D154-G159 PolarHBondContact OD2-N 3.29Å; D154-Y160 WeakPolarHBondContact CB-O 3.31Å; D154-I161 HydrophobicContact CB-CG1 4.46Å | ||
| 155 | K | 97.4 | Very high | 96.5 | Very high | 133 Ų | 133 | 60.1 Ų | 60.1 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -84.9 | -24.1 | -173.5 | -57.7 | -49.7 | 180 | -177 | 0 | 112.5 | D152 D153 E165 | D152-K155 PolarHBondContact O-NZ 3.23Å; D153-K155 WeakPolarHBondContact O-CG 3.46Å; D153-K155 PolarHBondContact O-N 2.9Å; K155-E165 WeakPolarHBondContact CB-OE1 3.48Å; K155-E165 HydrophobicContact CG-CG 4.26Å; K155-E165 PolarHBondContact N-OE1 2.99Å |
| 156 | N | 96.9 | Very high | 96.4 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -97.2 | -7.9 | -176.2 | 75 | 12.4 | 0 | 0 | 0 | 112.1 | D154 D158 | D154-N156 PolarHBondContact OD1-N 2.97Å; D154-N156 PolarHBondContact OD1-OD1 3.24Å; N156-D158 VanDerWaalsContact C-N 3.34Å; N156-D158 PolarHBondContact ND2-OD2 3.33Å; N156-D158 VanDerWaalsContact OD1-CB 3.29Å; N156-D158 WeakPolarHBondContact OD1-CB 3.32Å; N156-D158 PolarHBondContact OD1-N 3.5Å; N156-D158 PolarHBondContact OD1-OD1 3.01Å; N156-D158 VanDerWaalsContact OD1-OD1 3.14Å; N156-D158 PolarHBondContact OD1-OD2 3.48Å |
| 157 | N | 97.6 | Very high | 96 | Very high | 136 Ų | 136 | 58.9 Ų | 58.9 | 73% | 0.727 | 31% | 0.306 | S | S | * | . | trans | 57.4 | 38.7 | -178.2 | -82.4 | 112.9 | 0 | 0 | 0 | 113.9 | D154 | D154-N157 WeakPolarHBondContact OD1-CA 3.36Å; D154-N157 PolarHBondContact OD1-N 2.89Å; D154-N157 WeakPolarHBondContact OD2-CA 3.45Å | ||
| 158 | D | 97.9 | Very high | 95.7 | Very high | 75 Ų | 75 | 61.1 Ų | 61.1 | 40% | 0.401 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -89.5 | -5.7 | 175.5 | 70.6 | 11.5 | 0 | 0 | 0 | 113.7 | D154 N156 Y160 | D154-D158 PolarHBondContact OD1-N 3.46Å; D154-D158 PolarHBondContact OD2-N 3.1Å; N156-D158 VanDerWaalsContact C-N 3.34Å; N156-D158 PolarHBondContact ND2-OD2 3.33Å; N156-D158 VanDerWaalsContact OD1-CB 3.29Å; N156-D158 WeakPolarHBondContact OD1-CB 3.32Å; N156-D158 PolarHBondContact OD1-N 3.5Å; N156-D158 PolarHBondContact OD1-OD1 3.01Å; N156-D158 VanDerWaalsContact OD1-OD1 3.14Å; N156-D158 PolarHBondContact OD1-OD2 3.48Å; D158-Y160 HydrophobicContact CB-CD2 4.47Å; D158-Y160 WeakPolarHBondContact O-CD2 3.26Å; D158-Y160 WeakPolarHBondContact OD1-CA 3.42Å; D158-Y160 VanDerWaalsContact OD1-CB 3.28Å; D158-Y160 WeakPolarHBondContact OD1-CB 3.3Å; D158-Y160 PolarHBondContact OD1-N 3.45Å |
| 159 | G | 97.7 | Very high | 95.2 | Very high | 35 Ų | 35 | 62.8 Ų | 62.8 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 87.1 | 9.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | D154 | D154-G159 WeakPolarHBondContact OD2-CA 3.49Å; D154-G159 PolarHBondContact OD2-N 3.29Å |
| 160 | Y | 97.9 | Very high | 94.4 | Very high | 85 Ų | 85 | 66 Ų | 66 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 164.7 | 178.6 | -60.5 | -89.8 | 0 | 0 | 0 | 111.1 | L112 L113 D114 D154 D158 | L112-Y160 HydrophobicContact CB-CD1 3.76Å; L112-Y160 HydrophobicContact CB-CG 4.09Å; L112-Y160 HydrophobicContact CD1-CD1 4.07Å; L112-Y160 HydrophobicContact CD1-CD2 4.37Å; L112-Y160 HydrophobicContact CD1-CG 3.94Å; L113-Y160 CarbonylContact O-C 3.59Å; L113-Y160 WeakPolarHBondContact O-CA 3.31Å; D114-Y160 HydrophobicContact CB-CD1 3.75Å; D114-Y160 HydrophobicContact CB-CE1 3.67Å; D154-Y160 WeakPolarHBondContact CB-O 3.31Å; D158-Y160 HydrophobicContact CB-CD2 4.47Å; D158-Y160 WeakPolarHBondContact O-CD2 3.26Å; D158-Y160 WeakPolarHBondContact OD1-CA 3.42Å; D158-Y160 VanDerWaalsContact OD1-CB 3.28Å; D158-Y160 WeakPolarHBondContact OD1-CB 3.3Å; D158-Y160 PolarHBondContact OD1-N 3.45Å |
| 161 | I | 97.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.2 | 169.6 | -64.1 | 178.6 | 0 | 0 | 0 | 108.5 | L113 L118 V149 L150 D153 D154 E165 F166 | L113-I161 HydrophobicContact CB-CB 4.49Å; L113-I161 PolarHBondContact N-O 3.31Å; L113-I161 PolarHBondContact O-N 2.77Å; L118-I161 HydrophobicContact CD1-CD1 4.15Å; V149-I161 HydrophobicContact CG1-CD1 3.4Å; L150-I161 HydrophobicContact CD2-CD1 4.15Å; L150-I161 HydrophobicContact CD2-CG1 4.04Å; D153-I161 HydrophobicContact CB-CD1 3.87Å; D153-I161 HydrophobicContact CB-CG1 4.45Å; D154-I161 HydrophobicContact CB-CG1 4.46Å; I161-E165 HydrophobicContact CG2-CB 3.84Å; I161-F166 HydrophobicContact CG2-CB 3.87Å |
| 162 | D | 96.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 168.1 | 172.3 | 78.1 | 39.1 | 0 | 0 | 0 | 112.2 | L112 A164 E165 F166 | L112-D162 HydrophobicContact CD2-CB 3.8Å; D162-A164 VanDerWaalsContact C-N 3.25Å; D162-A164 PolarHBondContact O-N 3.36Å; D162-A164 VanDerWaalsContact OD1-CA 3.3Å; D162-A164 WeakPolarHBondContact OD1-CA 3.49Å; D162-A164 VanDerWaalsContact OD1-CB 3.29Å; D162-A164 WeakPolarHBondContact OD1-CB 3.34Å; D162-A164 PolarHBondContact OD1-N 3.26Å; D162-E165 PolarHBondContact N-OE2 3.29Å; D162-E165 PolarHBondContact O-N 2.75Å; D162-E165 PolarHBondContact OD1-N 3Å; D162-F166 WeakPolarHBondContact O-CB 3.36Å; D162-F166 PolarHBondContact O-N 3.17Å |
| 163 | Y | 93.8 | Very high | 92.4 | Very high | 53 Ų | 53 | 69.2 Ų | 69.2 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -31.9 | -178.7 | -178.6 | -104.7 | 0 | 0 | 0 | 113.4 | I77 Q98 L99 F102 F166 A167 | I77-Y163 HydrophobicContact CD1-CE1 4.39Å; I77-Y163 HydrophobicContact CG2-CE1 4.23Å; Q98-Y163 HydrophobicContact CG-CE2 4.25Å; Q98-Y163 PolarHBondContact OE1-OH 3.38Å; L99-Y163 HydrophobicContact CB-CE2 4.09Å; L99-Y163 HydrophobicContact CD1-CD2 4.06Å; L99-Y163 HydrophobicContact CD1-CE2 3.84Å; F102-Y163 HydrophobicContact CB-CD2 4.31Å; F102-Y163 HydrophobicContact CD1-CD2 4.2Å; F102-Y163 HydrophobicContact CD2-CD2 4.34Å; F102-Y163 HydrophobicContact CG-CD2 4.03Å; Y163-F166 HydrophobicContact CD2-CD1 4.48Å; Y163-A167 HydrophobicContact CE1-CB 4.47Å; Y163-A167 WeakPolarHBondContact O-CB 3.39Å; Y163-A167 PolarHBondContact O-N 3.22Å |
| 164 | A | 93.6 | Very high | 92.2 | Very high | 51 Ų | 51 | 71.4 Ų | 71.4 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.3 | -33.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | D162 K168 | D162-A164 VanDerWaalsContact C-N 3.25Å; D162-A164 PolarHBondContact O-N 3.36Å; D162-A164 VanDerWaalsContact OD1-CA 3.3Å; D162-A164 WeakPolarHBondContact OD1-CA 3.49Å; D162-A164 VanDerWaalsContact OD1-CB 3.29Å; D162-A164 WeakPolarHBondContact OD1-CB 3.34Å; D162-A164 PolarHBondContact OD1-N 3.26Å; A164-K168 WeakPolarHBondContact O-CD 3.04Å; A164-K168 VanDerWaalsContact O-CG 3.23Å; A164-K168 WeakPolarHBondContact O-CG 3.28Å; A164-K168 PolarHBondContact O-N 3.11Å |
| 165 | E | 94.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 75.1 Ų | 75.1 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.8 | -50.5 | 171 | -69.3 | 173.5 | 144.7 | 0 | 0 | 110.8 | K155 I161 D162 A167 K168 S169 | K155-E165 WeakPolarHBondContact CB-OE1 3.48Å; K155-E165 HydrophobicContact CG-CG 4.26Å; K155-E165 PolarHBondContact N-OE1 2.99Å; I161-E165 HydrophobicContact CG2-CB 3.84Å; D162-E165 PolarHBondContact N-OE2 3.29Å; D162-E165 PolarHBondContact O-N 2.75Å; D162-E165 PolarHBondContact OD1-N 3Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.23Å; E165-K168 PolarHBondContact O-N 3.11Å; E165-K168 VanDerWaalsContact O-N 3.15Å; E165-S169 PolarHBondContact O-N 3.26Å |
| 166 | F | 92.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 17% | 0.171 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.7 | -41.6 | 173.9 | -178.3 | -106.1 | 0 | 0 | 0 | 112.3 | Q98 F102 I161 D162 Y163 K168 S169 L170 | Q98-F166 HydrophobicContact CG-CD1 3.92Å; Q98-F166 HydrophobicContact CG-CE1 3.52Å; Q98-F166 WeakPolarHBondContact O-CE1 2.94Å; F102-F166 HydrophobicContact CB-CD1 4.19Å; F102-F166 HydrophobicContact CB-CE1 4.07Å; F102-F166 HydrophobicContact CD2-CB 4.04Å; F102-F166 AromaticContact CD2-CD1 3.93Å; F102-F166 HydrophobicContact CD2-CD1 3.93Å; F102-F166 HydrophobicContact CD2-CD2 4.46Å; F102-F166 HydrophobicContact CD2-CE1 4.5Å; F102-F166 AromaticContact CD2-CG 3.9Å; F102-F166 HydrophobicContact CD2-CG 3.9Å; F102-F166 HydrophobicContact CE2-CB 4.26Å; F102-F166 HydrophobicContact CG-CD1 4.46Å; I161-F166 HydrophobicContact CG2-CB 3.87Å; D162-F166 WeakPolarHBondContact O-CB 3.36Å; D162-F166 PolarHBondContact O-N 3.17Å; Y163-F166 HydrophobicContact CD2-CD1 4.48Å; F166-K168 VanDerWaalsContact C-N 3.26Å; F166-K168 PolarHBondContact O-N 3.44Å; F166-S169 PolarHBondContact O-N 2.96Å; F166-S169 PolarHBondContact O-OG 3.22Å; F166-L170 HydrophobicContact CE1-CD1 4.12Å; F166-L170 HydrophobicContact CZ-CD1 4.14Å |
| 167 | A | 88.8 | Confident | 91.2 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.5 | -24.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | Q98 Y163 E165 Q171 | Q98-A167 VanDerWaalsContact NE2-CA 3.28Å; Y163-A167 HydrophobicContact CE1-CB 4.47Å; Y163-A167 WeakPolarHBondContact O-CB 3.39Å; Y163-A167 PolarHBondContact O-N 3.22Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.23Å; A167-Q171 PolarHBondContact O-NE2 2.58Å |
| 168 | K | 89.4 | Confident | 90.7 | Very high | 131 Ų | 131 | 65.6 Ų | 65.6 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -79.2 | -28.8 | 175 | -74.9 | 167.9 | -172.3 | 163.9 | 0 | 112.4 | A164 E165 F166 L170 Q171 | A164-K168 WeakPolarHBondContact O-CD 3.04Å; A164-K168 VanDerWaalsContact O-CG 3.23Å; A164-K168 WeakPolarHBondContact O-CG 3.28Å; A164-K168 PolarHBondContact O-N 3.11Å; E165-K168 PolarHBondContact O-N 3.11Å; E165-K168 VanDerWaalsContact O-N 3.15Å; F166-K168 VanDerWaalsContact C-N 3.26Å; F166-K168 PolarHBondContact O-N 3.44Å; K168-L170 VanDerWaalsContact C-N 3.26Å; K168-L170 PolarHBondContact O-N 3.32Å; K168-Q171 PolarHBondContact O-N 3.36Å |
| 169 | S | 85.8 | Confident | 90.2 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -73.4 | -18.6 | -179.1 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | D153 E165 F166 | D153-S169 WeakPolarHBondContact OD1-CB 3.48Å; D153-S169 WeakPolarHBondContact OD2-CB 3.38Å; D153-S169 PolarHBondContact OD2-OG 3.02Å; E165-S169 PolarHBondContact O-N 3.26Å; F166-S169 PolarHBondContact O-N 2.96Å; F166-S169 PolarHBondContact O-OG 3.22Å |
| 170 | L | 79.2 | Confident | 89.6 | Confident | 111 Ų | 111 | 67.4 Ų | 67.4 | 58% | 0.581 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.4 | 176.3 | -58.1 | -171.2 | 0 | 0 | 0 | 114.9 | Q98 F166 K168 | Q98-L170 HydrophobicContact CG-CD1 3.83Å; Q98-L170 VanDerWaalsContact NE2-CD1 3.29Å; F166-L170 HydrophobicContact CE1-CD1 4.12Å; F166-L170 HydrophobicContact CZ-CD1 4.14Å; K168-L170 VanDerWaalsContact C-N 3.26Å; K168-L170 PolarHBondContact O-N 3.32Å |
| 171 | Q | 65.9 | Low | 88.8 | Confident | 215 Ų | 215 | 65.8 Ų | 65.8 | 100% | 1.005 | 34% | 0.339 | S | S | * | . | trans | -103.9 | 0 | -179.2 | -72.7 | 175.1 | 53.7 | 0 | 0 | 112.5 | A167 K168 | A167-Q171 PolarHBondContact O-NE2 2.58Å; K168-Q171 PolarHBondContact O-N 3.36Å |
Retrieved 171 of 171 residues in 99.3 ms
(Link to these results)