| 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 | 45.2 | Very low | 50.9 | Low | 235 Ų | 235 | 136.9 Ų | 136.9 | 100% | 1.158 | 83% | 0.827 | S | S | * | * | 0 | 85.7 | 0 | -80.7 | -158.3 | 175 | 0 | 0 | 104.2 | |||||
| 2 | D | 40.3 | Very low | 50 | Low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -112.9 | 131 | -161.9 | -69.2 | -94.3 | 0 | 0 | 0 | 108 | ||||
| 3 | N | 44.4 | Very low | 49 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 130.1 | -168.9 | -168.5 | 17.9 | 0 | 0 | 0 | 110.9 | ||
| 4 | P | 56.8 | Low | 48.3 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 129.2 | 174.7 | 30.4 | -30.1 | 0 | 0 | 0 | 112 | ||
| 5 | S | 55.5 | Low | 47.7 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 156 | 154.8 | -74.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 6 | P | 58.5 | Low | 47.1 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | -143.5 | 119.6 | 123.6 | 30.7 | -14.1 | 0 | 0 | 0 | 114.5 | |||||
| 7 | D | 48.8 | Very low | 46.5 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | 48.7 | 162 | 111.5 | -88.3 | -27 | 0 | 0 | 0 | 123.4 | |||||
| 8 | P | 51.9 | Low | 46.5 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | -106.2 | 176.2 | -125.2 | 41.3 | -39.7 | 0 | 0 | 0 | 116.8 | |||||
| 9 | A | 49.9 | Very low | 46.3 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62 | 158.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 10 | P | 55.5 | Low | 46.3 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 166.3 | 168.8 | 36.8 | -32.7 | 0 | 0 | 0 | 114.3 | ||
| 11 | P | 53.2 | Low | 46.5 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 168.6 | -153.2 | 37.7 | -36.2 | 0 | 0 | 0 | 116.8 | ||
| 12 | S | 40.5 | Very low | 46.5 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 150.9 | -179.1 | -42.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 13 | S | 36.9 | Very low | 46.8 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -149.8 | 134.6 | 151.8 | -68.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | T | 39.2 | Very low | 46.8 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | trans | -77.9 | 155.5 | -171.9 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 15 | L | 38.8 | Very low | 46.3 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | 179.3 | 135.1 | 119.3 | -91.8 | 160.5 | 0 | 0 | 0 | 113.3 | |||||
| 16 | S | 39.1 | Very low | 46.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -18.6 | 151.4 | 171.2 | -47.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 17 | G | 36.7 | Very low | 45.9 | Very low | 72 Ų | 72 | 146.8 Ų | 146.8 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | 166 | 95.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 18 | E | 46.6 | Very low | 46 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -49.8 | 146.1 | 171.8 | 53.5 | -118 | 64.3 | 0 | 0 | 116.4 | ||||
| 19 | E | 42.5 | Very low | 46 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | 178.9 | 110.2 | 130.1 | -96.9 | -169.2 | 106.6 | 0 | 0 | 110.5 | ||||
| 20 | E | 46.1 | Very low | 45.9 | Very low | 205 Ų | 205 | 147.6 Ų | 147.6 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | trans | -72.7 | 126 | 170.9 | -94.5 | -166.7 | 85.4 | 0 | 0 | 111 | ||||
| 21 | K | 49.7 | Very low | 45.8 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | -115.5 | 130.3 | 168.5 | -164.9 | 169.7 | -175.7 | 172.5 | 0 | 109.9 | ||||
| 22 | P | 46.6 | Very low | 45 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 137.8 | -164.4 | 26.5 | -34.1 | 0 | 0 | 0 | 113.3 | A24 | P22-A24 PolarHBondContact O-N 3.37Š|
| 23 | R | 46.3 | Very low | 45 | Very low | 243 Ų | 243 | 157.1 Ų | 157.1 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 120.4 | 172.4 | -73.2 | 178.9 | 164.3 | -163.4 | -3.7 | 110.6 | R25 | R23-R25 PolarHBondContact O-N 3.4Š|
| 24 | A | 43.1 | Very low | 45.2 | Very low | 98 Ų | 98 | 163.1 Ų | 163.1 | 81% | 0.81 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 119.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P22 L26 | P22-A24 PolarHBondContact O-N 3.37Å; A24-L26 PolarHBondContact O-N 3.03Å |
| 25 | R | 47.6 | Very low | 44.9 | Very low | 244 Ų | 244 | 160.2 Ų | 160.2 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.1 | 168.5 | -82 | 176.2 | 167.5 | -96 | 1.9 | 109.1 | R23 | R23-R25 PolarHBondContact O-N 3.4Š|
| 26 | L | 50.3 | Low | 45.3 | Very low | 165 Ų | 165 | 163 Ų | 163 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -69 | 138.2 | 163.3 | -69.8 | 165.6 | 0 | 0 | 0 | 109.2 | A24 | A24-L26 PolarHBondContact O-N 3.03Š|
| 27 | P | 54.8 | Low | 45.6 | Very low | 112 Ų | 112 | 162.7 Ų | 162.7 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 152.1 | 176.9 | 29.1 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 28 | P | 51.2 | Low | 45.7 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 132.3 | -179 | 28 | -33.7 | 0 | 0 | 0 | 111.9 | ||
| 29 | V | 52 | Low | 45.5 | Very low | 138 Ų | 138 | 159.9 Ų | 159.9 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 126.3 | 171.5 | -125 | 0 | 0 | 0 | 0 | 109.7 | R31 | V29-R31 PolarHBondContact O-N 2.99Š|
| 30 | P | 46.8 | Very low | 44.9 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 129.4 | 175.8 | 25.9 | -31.5 | 0 | 0 | 0 | 111.1 | G32 | P30-G32 PolarHBondContact O-N 3.22Š|
| 31 | R | 54.1 | Low | 44.2 | Very low | 255 Ų | 255 | 148.3 Ų | 148.3 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | trans | -67.9 | 91.1 | 168.8 | -77.5 | 179.4 | 160.8 | -178.4 | -4.9 | 109.7 | V29 | V29-R31 PolarHBondContact O-N 2.99Š| ||
| 32 | G | 35.3 | Very low | 43.3 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -76.4 | 117.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P30 | P30-G32 PolarHBondContact O-N 3.22Š| ||
| 33 | R | 41 | Very low | 42.7 | Very low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -48.2 | 135.3 | 173.1 | -68 | 170.7 | 171.3 | -106.1 | -0 | 110.7 | G35 | R33-G35 PolarHBondContact O-N 2.98Š| ||
| 34 | R | 40.4 | Very low | 42.3 | Very low | 254 Ų | 254 | 139 Ų | 139 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -67.8 | 83.3 | 166.5 | -66.8 | -177.1 | -163.4 | -102 | 1.6 | 108.5 | R36 | R34-R36 PolarHBondContact O-N 3.32Š| ||
| 35 | G | 33.7 | Very low | 41.7 | Very low | 62 Ų | 62 | 140.8 Ų | 140.8 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | R33 P37 | R33-G35 PolarHBondContact O-N 2.98Å; G35-P37 WeakPolarHBondContact O-CD 3.24Å |
| 36 | R | 47.4 | Very low | 41 | Very low | 224 Ų | 224 | 139.9 Ų | 139.9 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 132.6 | 160.8 | 176.9 | 176.7 | -177.2 | -103.7 | 5.1 | 110 | R34 | R34-R36 PolarHBondContact O-N 3.32Š|
| 37 | P | 44.4 | Very low | 40.2 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 159.5 | 153.6 | 15.1 | 4.3 | 0 | 0 | 0 | 110.9 | G35 | G35-P37 WeakPolarHBondContact O-CD 3.24Š|
| 38 | P | 39.7 | Very low | 39.5 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 166.1 | -147.5 | 35.9 | -34.2 | 0 | 0 | 0 | 113.3 | G40 | P38-G40 PolarHBondContact O-N 3.4Š|
| 39 | G | 43.3 | Very low | 38.7 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54 | 121.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 40 | G | 28.3 | Very low | 37.8 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -107.6 | 108.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | P38 T42 | P38-G40 PolarHBondContact O-N 3.4Å; G40-T42 PolarHBondContact O-N 3.36Å | ||
| 41 | A | 31.4 | Very low | 37.1 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -46.3 | 128.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T43 | A41-T43 PolarHBondContact O-N 2.76Š| ||
| 42 | T | 32.2 | Very low | 36.2 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -74.3 | 86.7 | 157.3 | 53.1 | 0 | 0 | 0 | 0 | 106.7 | G40 S44 | G40-T42 PolarHBondContact O-N 3.36Å; T42-S44 PolarHBondContact O-N 3.15Å; T42-S44 VanDerWaalsContact O-N 3.16Å | ||
| 43 | T | 32.5 | Very low | 36.2 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 63% | 0.632 | 78% | 0.78 | S | S | * | * | trans | -48.6 | 116.5 | 164.8 | 47.8 | 0 | 0 | 0 | 0 | 109 | A41 N45 | A41-T43 PolarHBondContact O-N 2.76Å; T43-N45 PolarHBondContact O-N 3.18Å; T43-N45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | S | 38.8 | Very low | 35.9 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -38.4 | 115.5 | 144.3 | -64.3 | 0 | 0 | 0 | 0 | 108.9 | T42 | T42-S44 PolarHBondContact O-N 3.15Å; T42-S44 VanDerWaalsContact O-N 3.16Å | ||
| 45 | N | 31.1 | Very low | 35.6 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -123.3 | 86.7 | 159.4 | -96 | -31 | 0 | 0 | 0 | 109 | T43 | T43-N45 PolarHBondContact O-N 3.18Å; T43-N45 VanDerWaalsContact O-N 3.15Å | ||
| 46 | R | 33.2 | Very low | 35.9 | Very low | 226 Ų | 226 | 142.9 Ų | 142.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -63 | 117.5 | 144.5 | -157.9 | -179.9 | -162 | -173.4 | 4.7 | 106.1 | ||||
| 47 | T | 33.1 | Very low | 35.2 | Very low | 107 Ų | 107 | 136 Ų | 136 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | trans | -135.4 | 105.3 | 156.5 | -48.1 | 0 | 0 | 0 | 0 | 107.8 | K49 | T47-K49 PolarHBondContact O-N 3.4Š| ||
| 48 | L | 40.1 | Very low | 34.7 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -54.9 | 125.4 | 158.8 | -64.2 | 160.7 | 0 | 0 | 0 | 108.1 | ||||
| 49 | K | 34.6 | Very low | 34.7 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -133.7 | 95 | 153.4 | -83.1 | -176.6 | 177.5 | 176.7 | 0 | 108.4 | T47 | T47-K49 PolarHBondContact O-N 3.4Š| ||
| 50 | S | 32.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -40.1 | 123.9 | 146.9 | 46.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 51 | S | 32.3 | Very low | 34.8 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -150.7 | 126.4 | 159.1 | -85.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 52 | L | 35 | Very low | 34.9 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -53.7 | 159.7 | -170.2 | -66.2 | 153.5 | 0 | 0 | 0 | 115.9 | R54 | L52-R54 PolarHBondContact O-N 3.08Š| ||
| 53 | P | 35.3 | Very low | 35.2 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 126.1 | 178.8 | 29.6 | -33.5 | 0 | 0 | 0 | 111.9 | K55 | P53-K55 PolarHBondContact O-N 3.49Š| ||
| 54 | R | 34.6 | Very low | 35.3 | Very low | 218 Ų | 218 | 158 Ų | 158 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | -77.5 | 104.4 | 169.6 | -83.9 | 178.6 | 152.4 | -107.3 | 1 | 109.9 | L52 R56 | L52-R54 PolarHBondContact O-N 3.08Å; R54-R56 PolarHBondContact O-N 3.19Å | ||
| 55 | K | 35.6 | Very low | 35 | Very low | 206 Ų | 206 | 161.8 Ų | 161.8 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | -53.5 | 121 | 161.7 | -68.1 | 177.8 | 177.9 | -179.1 | 0 | 109.6 | P53 | P53-K55 PolarHBondContact O-N 3.49Š| ||
| 56 | R | 38.6 | Very low | 35.2 | Very low | 221 Ų | 221 | 159.6 Ų | 159.6 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -129.7 | 99.5 | 152.8 | -76.6 | -172.9 | -177.6 | -106.5 | 4.2 | 106.8 | R54 | R54-R56 PolarHBondContact O-N 3.19Š| ||
| 57 | G | 32.1 | Very low | 35.9 | Very low | 80 Ų | 80 | 153.8 Ų | 153.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -72.3 | 141.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 58 | R | 35.2 | Very low | 35.9 | Very low | 240 Ų | 240 | 156.8 Ų | 156.8 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -146.5 | 134.6 | 149 | -153.7 | 164.8 | -172.6 | -99.1 | 1.2 | 107.4 | ||||
| 59 | P | 40 | Very low | 35.5 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 72% | 0.721 | 83% | 0.828 | S | S | * | * | trans | -77.5 | 162.6 | -163.1 | 30.7 | -36.7 | 0 | 0 | 0 | 113.7 | ||||
| 60 | P | 38.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | trans | -75.3 | 141.6 | 176.7 | 31.6 | -33.4 | 0 | 0 | 0 | 111.2 | ||||
| 61 | R | 35.4 | Very low | 35.3 | Very low | 246 Ų | 246 | 150.2 Ų | 150.2 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | trans | -89.6 | 113.9 | 161.2 | -101.3 | -172.9 | 163.8 | -162.6 | -5 | 108.2 | ||||
| 62 | S | 31.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | -58.9 | 128.4 | 164.9 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 63 | V | 39.2 | Very low | 34.8 | Very low | 132 Ų | 132 | 146 Ų | 146 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -148.9 | 97.6 | 149 | -100.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 64 | Q | 34.9 | Very low | 34.6 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | trans | 34.9 | 125.2 | 140.6 | -60.4 | 179.9 | 46.7 | 0 | 0 | 119.5 | ||||
| 65 | E | 32.6 | Very low | 34.4 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -76.1 | 164.8 | 171 | -60.5 | -142 | 112 | 0 | 0 | 113.7 | ||||
| 66 | A | 34.3 | Very low | 34.1 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | 115.4 | 157.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 67 | P | 48.7 | Very low | 33.9 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 68% | 0.675 | 84% | 0.837 | S | S | * | * | -139.7 | 173.2 | -67.5 | 40.6 | -24.5 | 0 | 0 | 0 | 113.9 | |||||
| 68 | L | 33.5 | Very low | 33.8 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | trans | 53.2 | 123 | 146.9 | -63.6 | 160.5 | 0 | 0 | 0 | 121 | ||||
| 69 | A | 30.4 | Very low | 33.9 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | -166.5 | 128.3 | 123.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 70 | A | 30.9 | Very low | 33.6 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -78.5 | 147.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 71 | A | 32.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 87% | 0.868 | 83% | 0.834 | S | S | * | * | trans | -152.6 | 132.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 72 | A | 27.3 | Very low | 34.1 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | trans | -99.1 | 166 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 73 | A | 28.8 | Very low | 34.6 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | 86.4 | 150.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 74 | A | 33.1 | Very low | 34.9 | Very low | 104 Ų | 104 | 113.2 Ų | 113.2 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 80 | 126 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 75 | G | 29.4 | Very low | 35.5 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | cis | 112.2 | 124.7 | 26.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 76 | G | 30.2 | Very low | 36.5 | Very low | 83 Ų | 83 | 107 Ų | 107 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 120.6 | 112 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 77 | G | 32.8 | Very low | 37.4 | Very low | 89 Ų | 89 | 108.4 Ų | 108.4 | 92% | 0.918 | 80% | 0.799 | S | S | * | * | trans | -78.7 | 173.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 78 | G | 31.2 | Very low | 37.7 | Very low | 79 Ų | 79 | 106.7 Ų | 106.7 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 154.4 | 106.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 79 | G | 37.7 | Very low | 39 | Very low | 88 Ų | 88 | 106 Ų | 106 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -65.8 | 152.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 80 | G | 33.4 | Very low | 40.4 | Very low | 67 Ų | 67 | 108.9 Ų | 108.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 170.1 | 97.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S82 | G80-S82 PolarHBondContact O-N 3.45Š| ||
| 81 | S | 44 | Very low | 41.6 | Very low | 113 Ų | 113 | 106.4 Ų | 106.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -52.5 | 117.6 | 163.2 | 49.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 82 | S | 40.3 | Very low | 42.4 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -121.3 | 95.3 | 163.4 | -67.1 | 0 | 0 | 0 | 0 | 106.1 | G80 L84 | G80-S82 PolarHBondContact O-N 3.45Å; S82-L84 PolarHBondContact O-N 2.95Å; S82-L84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | D | 41.8 | Very low | 43.3 | Very low | 142 Ų | 142 | 105.2 Ų | 105.2 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | -55.4 | 111.3 | 170.3 | -68 | -64.6 | 0 | 0 | 0 | 108.9 | L85 | D83-L85 PolarHBondContact O-N 3.3Š| ||
| 84 | L | 45.6 | Very low | 44.4 | Very low | 164 Ų | 164 | 107.1 Ų | 107.1 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | -74.5 | 103.7 | 170.7 | -79.4 | 170.7 | 0 | 0 | 0 | 108.2 | S82 L86 | S82-L84 PolarHBondContact O-N 2.95Å; S82-L84 VanDerWaalsContact O-N 3.12Å; L84-L86 PolarHBondContact O-N 3.01Å | ||
| 85 | L | 47.5 | Very low | 45.3 | Very low | 116 Ų | 116 | 107.5 Ų | 107.5 | 61% | 0.607 | 71% | 0.714 | S | S | * | * | trans | -70 | 113.1 | 168.8 | -60.8 | 176.3 | 0 | 0 | 0 | 108.9 | D83 | D83-L85 PolarHBondContact O-N 3.3Š| ||
| 86 | L | 54.4 | Low | 46.1 | Very low | 140 Ų | 140 | 109.1 Ų | 109.1 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 131.4 | 171.2 | -71.8 | 163.5 | 0 | 0 | 0 | 109.1 | L84 | L84-L86 PolarHBondContact O-N 3.01Š|
| 87 | I | 53 | Low | 46.8 | Very low | 120 Ų | 120 | 111 Ų | 111 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | B | Isolated β-bridge | trans | -101.7 | 132.8 | 177.8 | -53 | 169.9 | 0 | 0 | 0 | 107.3 | ||
| 88 | D | 54.6 | Low | 47.5 | Very low | 67 Ų | 67 | 116.3 Ų | 116.3 | 36% | 0.358 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -81.3 | 171.6 | 174.1 | 50.4 | 14 | 0 | 0 | 0 | 112.2 | Q90 G91 V92 | D88-Q90 PolarHBondContact O-N 3.28Å; D88-G91 PolarHBondContact O-N 2.81Å; D88-V92 PolarHBondContact OD1-N 2.9Å |
| 89 | D | 61 | Low | 47.9 | Very low | 156 Ų | 156 | 116.2 Ų | 116.2 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -3.5 | -173.6 | 62.9 | -82.9 | 0 | 0 | 0 | 114.6 | ||
| 90 | Q | 58.8 | Low | 47.8 | Very low | 165 Ų | 165 | 117.6 Ų | 117.6 | 77% | 0.771 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 5.7 | 173.5 | -59.5 | -171.7 | 24.8 | 0 | 0 | 113.6 | D88 | D88-Q90 PolarHBondContact O-N 3.28Š|
| 91 | G | 56.7 | Low | 48.4 | Very low | 52 Ų | 52 | 119.6 Ų | 119.6 | 54% | 0.536 | 71% | 0.709 | S | S | . | * | trans | 79.5 | 20.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D88 | D88-G91 PolarHBondContact O-N 2.81Š| ||
| 92 | V | 48.5 | Very low | 48.3 | Very low | 88 Ų | 88 | 118.5 Ų | 118.5 | 53% | 0.533 | 71% | 0.707 | S | S | . | * | trans | -105.7 | 120.1 | -178 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | D88 Y94 | D88-V92 PolarHBondContact OD1-N 2.9Å; V92-Y94 PolarHBondContact O-N 3.26Å | ||
| 93 | P | 46.1 | Very low | 48.5 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 58% | 0.578 | 72% | 0.716 | S | S | * | * | B | Isolated β-bridge | trans | -73 | 121.1 | 176.5 | 28.5 | -31.4 | 0 | 0 | 0 | 109.6 | ||
| 94 | Y | 51.7 | Low | 48.2 | Very low | 138 Ų | 138 | 117.7 Ų | 117.7 | 54% | 0.541 | 71% | 0.708 | S | S | . | * | trans | -119.6 | 142.2 | 170 | 81.6 | -87.2 | 0 | 0 | 0 | 111.1 | V92 V96 | V92-Y94 PolarHBondContact O-N 3.26Å; Y94-V96 HydrophobicContact CE2-CG1 4.34Å | ||
| 95 | T | 53 | Low | 48.1 | Very low | 112 Ų | 112 | 116.1 Ų | 116.1 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 130.6 | 172.9 | 51.3 | 0 | 0 | 0 | 0 | 108.8 | P97 | T95-P97 WeakPolarHBondContact O-CD 3.48Š|
| 96 | V | 46.7 | Very low | 48.1 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 120 | 170 | -124.6 | 0 | 0 | 0 | 0 | 107.4 | Y94 E98 | Y94-V96 HydrophobicContact CE2-CG1 4.34Å; V96-E98 PolarHBondContact O-N 3.47Å |
| 97 | P | 44.6 | Very low | 47.4 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 121.2 | 178.7 | 23.1 | -28.2 | 0 | 0 | 0 | 110.1 | T95 G99 | T95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-G99 PolarHBondContact O-N 3.24Å |
| 98 | E | 46.8 | Very low | 47.3 | Very low | 202 Ų | 202 | 117.1 Ų | 117.1 | 94% | 0.944 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 125.4 | 166.4 | -73.8 | -166.8 | 103.4 | 0 | 0 | 109.8 | V96 | V96-E98 PolarHBondContact O-N 3.47Š|
| 99 | G | 40.8 | Very low | 46.9 | Very low | 77 Ų | 77 | 116.3 Ų | 116.3 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | 111 | 99.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P97 | P97-G99 PolarHBondContact O-N 3.24Š| ||
| 100 | S | 33.8 | Very low | 46.5 | Very low | 117 Ų | 117 | 115.1 Ų | 115.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -132.3 | 109.3 | 132.7 | 65.1 | 0 | 0 | 0 | 0 | 109.3 | A102 | S100-A102 PolarHBondContact O-N 3.49Š| ||
| 101 | A | 47.7 | Very low | 46.4 | Very low | 108 Ų | 108 | 116.3 Ų | 116.3 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -60.7 | 112.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 102 | A | 40.1 | Very low | 46.7 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -115.9 | 104.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | S100 G104 | S100-A102 PolarHBondContact O-N 3.49Å; A102-G104 PolarHBondContact O-N 3.36Å | ||
| 103 | D | 44.6 | Very low | 47.7 | Very low | 176 Ų | 176 | 122 Ų | 122 | 94% | 0.941 | 74% | 0.739 | S | S | * | * | trans | -49 | 113.8 | 159.6 | -95.2 | -81.6 | 0 | 0 | 0 | 109.7 | ||||
| 104 | G | 37.2 | Very low | 49.3 | Very low | 58 Ų | 58 | 121.5 Ų | 121.5 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | trans | -158.6 | 145.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A102 | A102-G104 PolarHBondContact O-N 3.36Š| ||
| 105 | P | 43.2 | Very low | 50.9 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 84% | 0.844 | 72% | 0.721 | S | S | * | * | trans | -66.4 | 149 | -152.6 | 29.1 | -34.9 | 0 | 0 | 0 | 112.1 | G107 | P105-G107 PolarHBondContact O-N 3.15Š| ||
| 106 | Q | 46.5 | Very low | 52.7 | Low | 209 Ų | 209 | 117.8 Ų | 117.8 | 98% | 0.977 | 71% | 0.714 | S | S | * | * | trans | -59.7 | 76.1 | 172.6 | -63.1 | -172 | 54.3 | 0 | 0 | 111.2 | ||||
| 107 | G | 39.5 | Very low | 54.7 | Low | 64 Ų | 64 | 112.3 Ų | 112.3 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | trans | -78 | 120.2 | 168 | 0 | 0 | 0 | 0 | 0 | 108 | P105 G109 | P105-G107 PolarHBondContact O-N 3.15Å; G107-G109 PolarHBondContact O-N 3.27Å | ||
| 108 | S | 52.5 | Low | 56.7 | Low | 125 Ų | 125 | 112 Ų | 112 | 87% | 0.874 | 68% | 0.679 | S | S | * | * | trans | -57.9 | 87.1 | 164.7 | 54.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 109 | G | 44.3 | Very low | 58.8 | Low | 49 Ų | 49 | 107.1 Ų | 107.1 | 51% | 0.505 | 66% | 0.663 | S | S | . | * | trans | -62.3 | 161.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G107 R111 | G107-G109 PolarHBondContact O-N 3.27Å; G109-R111 PolarHBondContact O-N 2.81Å | ||
| 110 | P | 52.8 | Low | 61.2 | Low | 132 Ų | 132 | 106 Ų | 106 | 86% | 0.857 | 64% | 0.642 | S | S | * | * | trans | -60.3 | 107.9 | 179 | 26.2 | -31.8 | 0 | 0 | 0 | 107.9 | R112 | P110-R112 PolarHBondContact O-N 2.84Š| ||
| 111 | R | 58.4 | Low | 63.8 | Low | 189 Ų | 189 | 106.8 Ų | 106.8 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | trans | -55.9 | 108.7 | 169.8 | -72.3 | -178.5 | 178.8 | -101.3 | -1.4 | 105.6 | G109 A113 | G109-R111 PolarHBondContact O-N 2.81Å; R111-A113 PolarHBondContact O-N 2.96Å | ||
| 112 | R | 62.1 | Low | 65.7 | Low | 240 Ų | 240 | 109.6 Ų | 109.6 | 91% | 0.906 | 62% | 0.624 | S | S | * | * | trans | -52.5 | 113.2 | 161 | -76.2 | -176.1 | 175.1 | 179.4 | -0.8 | 103.9 | P110 P114 | P110-R112 PolarHBondContact O-N 2.84Å; R112-P114 WeakPolarHBondContact O-CD 3.24Å | ||
| 113 | A | 70.3 | Confident | 68 | Low | 20 Ų | 20 | 107.6 Ų | 107.6 | 17% | 0.165 | 61% | 0.607 | C | S | . | * | trans | -96.8 | 91.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 105 | R111 H115 F116 A123 F124 | R111-A113 PolarHBondContact O-N 2.96Å; A113-H115 PolarHBondContact O-N 3.34Å; A113-F116 WeakPolarHBondContact O-CE2 3.12Å; A113-F116 WeakPolarHBondContact O-CZ 3.5Å; A113-A123 HydrophobicContact CB-CB 3.43Å; A113-A123 VanDerWaalsContact CB-CB 3.43Å; A113-F124 CarbonylContact C-O 3.22Å; A113-F124 VanDerWaalsContact C-O 3.32Å; A113-F124 WeakPolarHBondContact CA-O 3.32Å; A113-F124 WeakPolarHBondContact CB-O 3.46Å | ||
| 114 | P | 79.3 | Confident | 70.1 | Confident | 78 Ų | 78 | 100.7 Ų | 100.7 | 51% | 0.506 | 57% | 0.569 | S | S | . | * | trans | -71.6 | -11.4 | -166.2 | 28.5 | -34.8 | 0 | 0 | 0 | 112.9 | R112 | R112-P114 WeakPolarHBondContact O-CD 3.24Š| ||
| 115 | H | 86 | Confident | 72.4 | Confident | 49 Ų | 49 | 100.1 Ų | 100.1 | 23% | 0.227 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 113.3 | -173.3 | -56.3 | -53.2 | 0 | 0 | 0 | 110.8 | A113 A123 F124 L127 L130 | A113-H115 PolarHBondContact O-N 3.34Å; H115-A123 CarbonylContact O-C 3.36Å; H115-A123 WeakPolarHBondContact O-CA 3.46Å; H115-F124 HydrophobicContact CB-CB 4.45Å; H115-F124 PolarHBondContact N-O 3.4Å; H115-F124 PolarHBondContact O-N 3.09Å; H115-L127 HydrophobicContact CB-CD2 4.31Å; H115-L127 PolarHBondContact CD2-N 2.97Å; H115-L127 VanDerWaalsContact CE1-CD2 3.42Å; H115-L127 WeakPolarHBondContact CE1-CD2 3.49Å; H115-L127 WeakPolarHBondContact CE1-CG 3.4Å; H115-L127 WeakPolarHBondContact ND1-CD2 2.94Å; H115-L130 HydrophobicContact CB-CB 4.09Å; H115-L130 HydrophobicContact CB-CD2 3.79Å |
| 116 | F | 89.5 | Confident | 74.6 | Confident | 124 Ų | 124 | 100 Ų | 100 | 54% | 0.544 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.4 | -179 | -61.7 | -90.1 | 0 | 0 | 0 | 110.9 | A113 R122 A123 | A113-F116 WeakPolarHBondContact O-CE2 3.12Å; A113-F116 WeakPolarHBondContact O-CZ 3.5Å; F116-R122 WeakPolarHBondContact CA-O 3.42Å; F116-A123 HydrophobicContact CD1-CB 3.72Å; F116-A123 HydrophobicContact CE1-CB 3.5Å; F116-A123 VanDerWaalsContact CE1-CB 3.5Å; F116-A123 HydrophobicContact CZ-CB 4.27Å |
| 117 | C | 90.1 | Very high | 76.5 | Confident | 1 Ų | 1 | 94.6 Ų | 94.6 | 1% | 0.007 | 52% | 0.516 | C | S | . | . | trans | -74.9 | 123.9 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | V119 L121 R122 F124 L130 H133 H137 | C117-V119 PolarHBondContact O-N 2.72Å; C117-L121 WeakPolarHBondContact O-CA 3.46Å; C117-L121 PolarHBondContact O-N 3.12Å; C117-R122 PolarHBondContact N-O 3.24Å; C117-F124 HydrophobicContact CB-CE2 4.29Å; C117-L130 VanDerWaalsContact CA-CD1 3.49Å; C117-L130 HydrophobicContact CB-CD1 3.74Å; C117-H133 VanDerWaalsContact SG-CD2 3.6Å; C117-H133 PolarHBondContact SG-NE2 3.14Å; C117-H137 VanDerWaalsContact SG-CD2 3.5Å; C117-H137 PolarHBondContact SG-NE2 3.49Å | ||
| 118 | P | 86.6 | Confident | 78.7 | Confident | 114 Ų | 114 | 95 Ų | 95 | 74% | 0.74 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.7 | -179.9 | 26.7 | -34.6 | 0 | 0 | 0 | 113.4 | ||
| 119 | V | 89.1 | Confident | 80.4 | Confident | 99 Ų | 99 | 90.6 Ų | 90.6 | 60% | 0.6 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -45.7 | -177.2 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | C117 H137 | C117-V119 PolarHBondContact O-N 2.72Å; V119-H137 HydrophobicContact CG1-CB 4.42Å; V119-H137 HydrophobicContact CG2-CB 4.37Å |
| 120 | C | 91.7 | Very high | 82.5 | Confident | 53 Ų | 53 | 89.6 Ų | 89.6 | 36% | 0.358 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 6.7 | -175.3 | 78.5 | 0 | 0 | 0 | 0 | 114.4 | R122 H133 | C120-R122 PolarHBondContact O-N 3.08Å; C120-H133 PolarHBondContact SG-NE2 3.45Å |
| 121 | L | 88.6 | Confident | 84 | Confident | 134 Ų | 134 | 89.1 Ų | 89.1 | 70% | 0.702 | 44% | 0.444 | S | S | * | . | trans | 55.2 | 19.3 | 174.6 | -55.9 | 175.6 | 0 | 0 | 0 | 115.2 | C117 | C117-L121 WeakPolarHBondContact O-CA 3.46Å; C117-L121 PolarHBondContact O-N 3.12Å | ||
| 122 | R | 87.4 | Confident | 85.3 | Confident | 167 Ų | 167 | 86.7 Ų | 86.7 | 63% | 0.63 | 44% | 0.435 | S | S | * | . | trans | -71.2 | 136.9 | 172 | -74.4 | 177.7 | 89.4 | 138.6 | 3.9 | 109.1 | F116 C117 C120 F124 | F116-R122 WeakPolarHBondContact CA-O 3.42Å; C117-R122 PolarHBondContact N-O 3.24Å; C120-R122 PolarHBondContact O-N 3.08Å; R122-F124 HydrophobicContact CB-CE2 3.75Å; R122-F124 HydrophobicContact CB-CZ 3.97Å; R122-F124 WeakPolarHBondContact O-CD2 3.26Å; R122-F124 WeakPolarHBondContact O-CE2 3.42Å | ||
| 123 | A | 88.7 | Confident | 86.5 | Confident | 48 Ų | 48 | 76.7 Ų | 76.7 | 40% | 0.397 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 137.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A113 H115 F116 | A113-A123 HydrophobicContact CB-CB 3.43Å; A113-A123 VanDerWaalsContact CB-CB 3.43Å; H115-A123 CarbonylContact O-C 3.36Å; H115-A123 WeakPolarHBondContact O-CA 3.46Å; F116-A123 HydrophobicContact CD1-CB 3.72Å; F116-A123 HydrophobicContact CE1-CB 3.5Å; F116-A123 VanDerWaalsContact CE1-CB 3.5Å; F116-A123 HydrophobicContact CZ-CB 4.27Å |
| 124 | F | 87.6 | Confident | 87.2 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 14% | 0.14 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.7 | 178.4 | -63.4 | -85.3 | 0 | 0 | 0 | 110 | A113 H115 C117 R122 Y126 D129 L130 H133 | A113-F124 CarbonylContact C-O 3.22Å; A113-F124 VanDerWaalsContact C-O 3.32Å; A113-F124 WeakPolarHBondContact CA-O 3.32Å; A113-F124 WeakPolarHBondContact CB-O 3.46Å; H115-F124 HydrophobicContact CB-CB 4.45Å; H115-F124 PolarHBondContact N-O 3.4Å; H115-F124 PolarHBondContact O-N 3.09Å; C117-F124 HydrophobicContact CB-CE2 4.29Å; R122-F124 HydrophobicContact CB-CE2 3.75Å; R122-F124 HydrophobicContact CB-CZ 3.97Å; R122-F124 WeakPolarHBondContact O-CD2 3.26Å; R122-F124 WeakPolarHBondContact O-CE2 3.42Å; F124-Y126 VanDerWaalsContact C-N 3.3Å; F124-D129 HydrophobicContact CB-CB 4.08Å; F124-D129 HydrophobicContact CD1-CB 3.83Å; F124-D129 HydrophobicContact CG-CB 4.25Å; F124-L130 HydrophobicContact CB-CB 4.24Å; F124-L130 HydrophobicContact CD2-CB 4.06Å; F124-L130 HydrophobicContact CD2-CD1 3.9Å; F124-L130 HydrophobicContact CE2-CD1 4.18Å; F124-L130 HydrophobicContact CG-CB 4.3Å; F124-H133 HydrophobicContact CE1-CB 3.89Å; F124-H133 HydrophobicContact CE2-CB 3.88Å; F124-H133 AromaticContact CE2-CD2 3.36Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.26Å; F124-H133 AromaticContact CE2-CG 3.55Å; F124-H133 HydrophobicContact CZ-CB 3.45Å; F124-H133 VanDerWaalsContact CZ-CB 3.45Å; F124-H133 AromaticContact CZ-CD2 3.46Å; F124-H133 VanDerWaalsContact CZ-CD2 3.46Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.49Å; F124-H133 AromaticContact CZ-CG 3.16Å; F124-H133 AromaticContact CZ-ND1 3.57Å; F124-H133 AromaticContact CZ-NE2 3.99Å |
| 125 | P | 87.3 | Confident | 87.5 | Confident | 46 Ų | 46 | 77 Ų | 77 | 30% | 0.299 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -71.3 | -25.3 | 177.4 | 27.6 | -32.1 | 0 | 0 | 0 | 112.8 | ||
| 126 | Y | 87.6 | Confident | 87.5 | Confident | 127 Ų | 127 | 77.4 Ų | 77.4 | 50% | 0.498 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -130 | 148.5 | -176.4 | -54 | -71 | 0 | 0 | 0 | 111.9 | F124 D129 L130 | F124-Y126 VanDerWaalsContact C-N 3.3Å; Y126-D129 WeakPolarHBondContact CD2-OD2 2.76Å; Y126-D129 PolarHBondContact O-N 2.93Å; Y126-L130 PolarHBondContact O-N 2.72Å |
| 127 | L | 87.4 | Confident | 87.2 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.5 | -80.2 | 173.8 | 0 | 0 | 0 | 112 | H115 D129 L130 E131 | H115-L127 HydrophobicContact CB-CD2 4.31Å; H115-L127 PolarHBondContact CD2-N 2.97Å; H115-L127 VanDerWaalsContact CE1-CD2 3.42Å; H115-L127 WeakPolarHBondContact CE1-CD2 3.49Å; H115-L127 WeakPolarHBondContact CE1-CG 3.4Å; H115-L127 WeakPolarHBondContact ND1-CD2 2.94Å; L127-D129 PolarHBondContact O-N 3.12Å; L127-L130 CarbonylContact O-C 3.32Å; L127-L130 WeakPolarHBondContact O-CA 3.48Å; L127-L130 WeakPolarHBondContact O-CB 3.45Å; L127-L130 PolarHBondContact O-N 2.81Å; L127-E131 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 3.12Å |
| 128 | S | 85.9 | Confident | 86.8 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 51% | 0.51 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.9 | -34 | 178.9 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | R132 | S128-R132 WeakPolarHBondContact O-CB 3.5Å; S128-R132 PolarHBondContact O-N 2.9Å |
| 129 | D | 87.1 | Confident | 86.4 | Confident | 32 Ų | 32 | 78.3 Ų | 78.3 | 17% | 0.171 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.6 | -39.4 | 173.8 | -71.9 | -30.3 | 0 | 0 | 0 | 112 | F124 Y126 L127 R132 H133 | F124-D129 HydrophobicContact CB-CB 4.08Å; F124-D129 HydrophobicContact CD1-CB 3.83Å; F124-D129 HydrophobicContact CG-CB 4.25Å; Y126-D129 WeakPolarHBondContact CD2-OD2 2.76Å; Y126-D129 PolarHBondContact O-N 2.93Å; L127-D129 PolarHBondContact O-N 3.12Å; D129-R132 IonicContact OD1-CZ 3.53Å; D129-R132 IonicContact OD1-NH1 2.79Å; D129-R132 IonicContact OD1-NH2 3.89Å; D129-R132 PolarHBondContact OD1-NH2 3.04Å; D129-H133 WeakPolarHBondContact O-CB 3.28Å; D129-H133 PolarHBondContact O-N 3.19Å |
| 130 | L | 88.3 | Confident | 85.8 | Confident | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 175 | 170.9 | 62.1 | 0 | 0 | 0 | 111.4 | H115 C117 F124 Y126 L127 H133 S134 | H115-L130 HydrophobicContact CB-CB 4.09Å; H115-L130 HydrophobicContact CB-CD2 3.79Å; C117-L130 VanDerWaalsContact CA-CD1 3.49Å; C117-L130 HydrophobicContact CB-CD1 3.74Å; F124-L130 HydrophobicContact CB-CB 4.24Å; F124-L130 HydrophobicContact CD2-CB 4.06Å; F124-L130 HydrophobicContact CD2-CD1 3.9Å; F124-L130 HydrophobicContact CE2-CD1 4.18Å; F124-L130 HydrophobicContact CG-CB 4.3Å; Y126-L130 PolarHBondContact O-N 2.72Å; L127-L130 CarbonylContact O-C 3.32Å; L127-L130 WeakPolarHBondContact O-CA 3.48Å; L127-L130 WeakPolarHBondContact O-CB 3.45Å; L127-L130 PolarHBondContact O-N 2.81Å; L130-H133 CarbonylContact O-C 3.54Å; L130-H133 WeakPolarHBondContact O-CA 3.27Å; L130-H133 WeakPolarHBondContact O-CB 3.37Å; L130-H133 PolarHBondContact O-N 3.46Å; L130-H133 VanDerWaalsContact O-N 3.17Å; L130-S134 WeakPolarHBondContact O-CB 3.47Å; L130-S134 PolarHBondContact O-N 3.25Å |
| 131 | E | 85.3 | Confident | 85.3 | Confident | 122 Ų | 122 | 80.6 Ų | 80.6 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 176.2 | -72.1 | 174.2 | 169.1 | 0 | 0 | 111 | L127 H133 S134 I135 | L127-E131 WeakPolarHBondContact O-CG 3.48Å; L127-E131 PolarHBondContact O-N 3.12Å; E131-H133 PolarHBondContact O-N 3.33Å; E131-S134 PolarHBondContact O-N 3.16Å; E131-S134 VanDerWaalsContact O-N 3.08Å; E131-S134 PolarHBondContact O-OG 3.15Å; E131-I135 PolarHBondContact O-N 3.22Å |
| 132 | R | 84.9 | Confident | 84.9 | Confident | 137 Ų | 137 | 78.2 Ų | 78.2 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 173.4 | -176.4 | 175.8 | 64.8 | -156.9 | -2.9 | 111.9 | S128 D129 | S128-R132 WeakPolarHBondContact O-CB 3.5Å; S128-R132 PolarHBondContact O-N 2.9Å; D129-R132 IonicContact OD1-CZ 3.53Å; D129-R132 IonicContact OD1-NH1 2.79Å; D129-R132 IonicContact OD1-NH2 3.89Å; D129-R132 PolarHBondContact OD1-NH2 3.04Å |
| 133 | H | 87.4 | Confident | 84.8 | Confident | 31 Ų | 31 | 73.3 Ų | 73.3 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.5 | -34.4 | 175.6 | 172.1 | 70.9 | 0 | 0 | 0 | 112.5 | C117 C120 F124 D129 L130 E131 I135 S136 H137 | C117-H133 VanDerWaalsContact SG-CD2 3.6Å; C117-H133 PolarHBondContact SG-NE2 3.14Å; C120-H133 PolarHBondContact SG-NE2 3.45Å; F124-H133 HydrophobicContact CE1-CB 3.89Å; F124-H133 HydrophobicContact CE2-CB 3.88Å; F124-H133 AromaticContact CE2-CD2 3.36Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.26Å; F124-H133 AromaticContact CE2-CG 3.55Å; F124-H133 HydrophobicContact CZ-CB 3.45Å; F124-H133 VanDerWaalsContact CZ-CB 3.45Å; F124-H133 AromaticContact CZ-CD2 3.46Å; F124-H133 VanDerWaalsContact CZ-CD2 3.46Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.49Å; F124-H133 AromaticContact CZ-CG 3.16Å; F124-H133 AromaticContact CZ-ND1 3.57Å; F124-H133 AromaticContact CZ-NE2 3.99Å; D129-H133 WeakPolarHBondContact O-CB 3.28Å; D129-H133 PolarHBondContact O-N 3.19Å; L130-H133 CarbonylContact O-C 3.54Å; L130-H133 WeakPolarHBondContact O-CA 3.27Å; L130-H133 WeakPolarHBondContact O-CB 3.37Å; L130-H133 PolarHBondContact O-N 3.46Å; L130-H133 VanDerWaalsContact O-N 3.17Å; E131-H133 PolarHBondContact O-N 3.33Å; H133-I135 PolarHBondContact O-N 3.38Å; H133-S136 PolarHBondContact ND1-OG 2.79Å; H133-S136 WeakPolarHBondContact O-CA 3.36Å; H133-S136 WeakPolarHBondContact O-CB 3.24Å; H133-S136 PolarHBondContact O-N 3.16Å; H133-S136 PolarHBondContact O-OG 3.5Å; H133-H137 AromaticContact CD2-NE2 3.85Å; H133-H137 AromaticContact CE1-NE2 3.56Å; H133-H137 AromaticContact NE2-CD2 3.85Å; H133-H137 AromaticContact NE2-CE1 3.97Å; H133-H137 AromaticContact NE2-NE2 3.02Å; H133-H137 PolarHBondContact NE2-NE2 3.49Å |
| 134 | S | 85.1 | Confident | 84.8 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.3 | -32.4 | -179.2 | 78.1 | 0 | 0 | 0 | 0 | 111.6 | L130 E131 S136 H137 S138 | L130-S134 WeakPolarHBondContact O-CB 3.47Å; L130-S134 PolarHBondContact O-N 3.25Å; E131-S134 PolarHBondContact O-N 3.16Å; E131-S134 VanDerWaalsContact O-N 3.08Å; E131-S134 PolarHBondContact O-OG 3.15Å; S134-S136 PolarHBondContact O-N 3.15Å; S134-S136 VanDerWaalsContact O-N 3.12Å; S134-H137 PolarHBondContact O-N 3.14Å; S134-S138 PolarHBondContact O-N 3.43Å |
| 135 | I | 86.1 | Confident | 84.9 | Confident | 47 Ų | 47 | 75.1 Ų | 75.1 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.2 | -23.4 | 170.7 | -55.7 | 167.6 | 0 | 0 | 0 | 111.7 | E131 H133 H137 S138 L140 K153 | E131-I135 PolarHBondContact O-N 3.22Å; H133-I135 PolarHBondContact O-N 3.38Å; I135-H137 VanDerWaalsContact C-N 3.3Å; I135-H137 PolarHBondContact O-N 2.92Å; I135-S138 WeakPolarHBondContact CA-OG 3.36Å; I135-S138 PolarHBondContact O-N 3.33Å; I135-S138 VanDerWaalsContact O-O 3.05Å; I135-S138 PolarHBondContact O-OG 3.2Å; I135-L140 VanDerWaalsContact CG2-O 3.3Å; I135-L140 WeakPolarHBondContact CG2-O 3.3Å; I135-K153 HydrophobicContact CG2-CB 4.18Å; I135-K153 HydrophobicContact CG2-CD 4.42Å; I135-K153 HydrophobicContact CG2-CG 4.33Å; I135-K153 PolarHBondContact O-NZ 2.88Å |
| 136 | S | 85.2 | Confident | 85 | Confident | 57 Ų | 57 | 82.4 Ų | 82.4 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.4 | -29.2 | 175.3 | 79.2 | 0 | 0 | 0 | 0 | 113.1 | H133 S134 K153 | H133-S136 PolarHBondContact ND1-OG 2.79Å; H133-S136 WeakPolarHBondContact O-CA 3.36Å; H133-S136 WeakPolarHBondContact O-CB 3.24Å; H133-S136 PolarHBondContact O-N 3.16Å; H133-S136 PolarHBondContact O-OG 3.5Å; S134-S136 PolarHBondContact O-N 3.15Å; S134-S136 VanDerWaalsContact O-N 3.12Å; S136-K153 VanDerWaalsContact C-NZ 3.35Å; S136-K153 PolarHBondContact O-NZ 2.72Å |
| 137 | H | 84.6 | Confident | 84.9 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 36% | 0.356 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -84.2 | -25.2 | 176.3 | -62.3 | -60.2 | 0 | 0 | 0 | 113 | C117 V119 H133 S134 I135 | C117-H137 VanDerWaalsContact SG-CD2 3.5Å; C117-H137 PolarHBondContact SG-NE2 3.49Å; V119-H137 HydrophobicContact CG1-CB 4.42Å; V119-H137 HydrophobicContact CG2-CB 4.37Å; H133-H137 AromaticContact CD2-NE2 3.85Å; H133-H137 AromaticContact CE1-NE2 3.56Å; H133-H137 AromaticContact NE2-CD2 3.85Å; H133-H137 AromaticContact NE2-CE1 3.97Å; H133-H137 AromaticContact NE2-NE2 3.02Å; H133-H137 PolarHBondContact NE2-NE2 3.49Å; S134-H137 PolarHBondContact O-N 3.14Å; I135-H137 VanDerWaalsContact C-N 3.3Å; I135-H137 PolarHBondContact O-N 2.92Å |
| 138 | S | 80.8 | Confident | 85 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 24% | 0.238 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -85.6 | 157.5 | 174.6 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | S134 I135 L140 K153 | S134-S138 PolarHBondContact O-N 3.43Å; I135-S138 WeakPolarHBondContact CA-OG 3.36Å; I135-S138 PolarHBondContact O-N 3.33Å; I135-S138 VanDerWaalsContact O-O 3.05Å; I135-S138 PolarHBondContact O-OG 3.2Å; S138-L140 PolarHBondContact O-N 3.42Å; S138-L140 WeakPolarHBondContact OG-CB 3.47Å; S138-K153 PolarHBondContact O-NZ 3.2Å |
| 139 | E | 77.9 | Confident | 85 | Confident | 147 Ų | 147 | 77.8 Ų | 77.8 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -80.6 | 2 | 169.1 | -71.6 | -58.1 | 149.4 | 0 | 0 | 112.7 | K141 | E139-K141 PolarHBondContact O-N 3.16Å; E139-K141 IonicContact OE2-NZ 3.71Å; E139-K141 PolarHBondContact OE2-NZ 3.3Å |
| 140 | L | 77 | Confident | 85 | Confident | 125 Ų | 125 | 81.9 Ų | 81.9 | 65% | 0.654 | 42% | 0.418 | S | S | * | . | trans | -66.4 | 123 | 177.7 | -59.7 | 172 | 0 | 0 | 0 | 109.5 | I135 S138 | I135-L140 VanDerWaalsContact CG2-O 3.3Å; I135-L140 WeakPolarHBondContact CG2-O 3.3Å; S138-L140 PolarHBondContact O-N 3.42Å; S138-L140 WeakPolarHBondContact OG-CB 3.47Å | ||
| 141 | K | 81.3 | Confident | 85 | Confident | 75 Ų | 75 | 83.5 Ų | 83.5 | 33% | 0.326 | 43% | 0.43 | S | S | . | . | trans | -127.3 | 80.3 | 178 | -67.6 | 162.8 | -170.8 | 113.1 | 0 | 106.7 | E139 H143 T151 F152 K153 | E139-K141 PolarHBondContact O-N 3.16Å; E139-K141 IonicContact OE2-NZ 3.71Å; E139-K141 PolarHBondContact OE2-NZ 3.3Å; K141-H143 PolarHBondContact O-N 2.79Å; K141-H143 VanDerWaalsContact O-N 3.08Å; K141-T151 WeakPolarHBondContact CB-OG1 3.17Å; K141-T151 VanDerWaalsContact CD-OG1 3.26Å; K141-T151 WeakPolarHBondContact CD-OG1 3.47Å; K141-F152 CarbonylContact C-O 3.52Å; K141-F152 VanDerWaalsContact C-O 3.3Å; K141-K153 HydrophobicContact CG-CG 3.93Å | ||
| 142 | P | 81.1 | Confident | 85 | Confident | 85 Ų | 85 | 79.7 Ų | 79.7 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | trans | -66.6 | -12.7 | -165.6 | 22.3 | -31.8 | 0 | 0 | 0 | 114.6 | ||||
| 143 | H | 84.1 | Confident | 85 | Confident | 63 Ų | 63 | 76.1 Ų | 76.1 | 29% | 0.292 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 107.1 | -175.4 | -56.4 | -71.9 | 0 | 0 | 0 | 111 | K141 T151 F152 S155 L158 | K141-H143 PolarHBondContact O-N 2.79Å; K141-H143 VanDerWaalsContact O-N 3.08Å; H143-T151 CarbonylContact O-C 3.54Å; H143-T151 WeakPolarHBondContact O-CA 3.32Å; H143-F152 HydrophobicContact CB-CB 4.36Å; H143-F152 PolarHBondContact N-O 3.15Å; H143-F152 VanDerWaalsContact N-O 3.12Å; H143-F152 PolarHBondContact O-N 3.12Å; H143-S155 PolarHBondContact CD2-N 2.86Å; H143-S155 PolarHBondContact NE2-N 3.12Å; H143-L158 HydrophobicContact CB-CB 4.03Å; H143-L158 HydrophobicContact CB-CD2 3.82Å |
| 144 | E | 89.8 | Confident | 84.9 | Confident | 118 Ų | 118 | 79.8 Ų | 79.8 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.8 | 179.1 | -171.6 | 172.8 | 164.7 | 0 | 0 | 112.4 | G149 T151 L158 | E144-G149 WeakPolarHBondContact OE1-CA 3.36Å; E144-T151 HydrophobicContact CB-CG2 3.96Å; E144-T151 HydrophobicContact CG-CG2 3.84Å; E144-L158 WeakPolarHBondContact O-CD2 3.4Å |
| 145 | C | 89.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.007 | 42% | 0.417 | C | S | . | . | trans | -81.9 | 116.9 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | D147 C148 G149 K150 F152 L158 H161 | C145-D147 PolarHBondContact O-N 3.01Å; C145-C148 PolarHBondContact O-N 3.3Å; C145-C148 VanDerWaalsContact SG-SG 3.67Å; C145-G149 VanDerWaalsContact O-CA 3.24Å; C145-G149 WeakPolarHBondContact O-CA 3.36Å; C145-G149 PolarHBondContact O-N 2.89Å; C145-K150 HydrophobicContact CB-CB 4.46Å; C145-K150 WeakPolarHBondContact CB-O 3.45Å; C145-K150 PolarHBondContact N-O 2.76Å; C145-F152 HydrophobicContact CB-CE2 4.3Å; C145-L158 VanDerWaalsContact CA-CD1 3.5Å; C145-L158 HydrophobicContact CB-CD1 3.55Å; C145-H161 VanDerWaalsContact SG-CD2 3.6Å | ||
| 146 | K | 88.5 | Confident | 84.8 | Confident | 199 Ų | 199 | 81.4 Ų | 81.4 | 87% | 0.865 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.6 | 179 | -62.8 | -177 | 179.3 | 179.4 | 0 | 113 | ||
| 147 | D | 85.6 | Confident | 84.9 | Confident | 109 Ų | 109 | 81 Ų | 81 | 58% | 0.583 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -24.8 | -176.5 | -56.1 | -36.5 | 0 | 0 | 0 | 113.8 | C145 H165 | C145-D147 PolarHBondContact O-N 3.01Å; D147-H165 IonicContact OD2-CD2 3.67Å; D147-H165 IonicContact OD2-CG 3.15Å |
| 148 | C | 88.9 | Confident | 85.1 | Confident | 50 Ų | 50 | 78.8 Ų | 78.8 | 34% | 0.338 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | 6.2 | -175.9 | 71.1 | 0 | 0 | 0 | 0 | 116.1 | C145 K150 H161 H165 | C145-C148 PolarHBondContact O-N 3.3Å; C145-C148 VanDerWaalsContact SG-SG 3.67Å; C148-K150 PolarHBondContact O-N 3.32Å; C148-K150 VanDerWaalsContact SG-CD 3.59Å; C148-K150 VanDerWaalsContact SG-CG 3.55Å; C148-H161 PolarHBondContact SG-NE2 2.84Å; C148-H165 PolarHBondContact SG-NE2 2.95Å; C148-H165 VanDerWaalsContact SG-NE2 3.4Å |
| 149 | G | 85.6 | Confident | 85.3 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | trans | 66.5 | 11.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | E144 C145 | E144-G149 WeakPolarHBondContact OE1-CA 3.36Å; C145-G149 VanDerWaalsContact O-CA 3.24Å; C145-G149 WeakPolarHBondContact O-CA 3.36Å; C145-G149 PolarHBondContact O-N 2.89Å | ||
| 150 | K | 87.5 | Confident | 85.7 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | trans | -76.6 | 129 | -179.7 | -73.9 | 177.9 | -172.3 | 165.9 | 0 | 110.5 | C145 C148 F152 | C145-K150 HydrophobicContact CB-CB 4.46Å; C145-K150 WeakPolarHBondContact CB-O 3.45Å; C145-K150 PolarHBondContact N-O 2.76Å; C148-K150 PolarHBondContact O-N 3.32Å; C148-K150 VanDerWaalsContact SG-CD 3.59Å; C148-K150 VanDerWaalsContact SG-CG 3.55Å; K150-F152 HydrophobicContact CB-CE2 3.88Å; K150-F152 HydrophobicContact CB-CZ 4.03Å; K150-F152 WeakPolarHBondContact O-CD2 3.41Å; K150-F152 VanDerWaalsContact O-CE2 3.32Å; K150-F152 WeakPolarHBondContact O-CE2 3.38Å | ||
| 151 | T | 87.9 | Confident | 86.3 | Confident | 63 Ų | 63 | 78.3 Ų | 78.3 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 142.3 | -178.9 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | K141 H143 E144 | K141-T151 WeakPolarHBondContact CB-OG1 3.17Å; K141-T151 VanDerWaalsContact CD-OG1 3.26Å; K141-T151 WeakPolarHBondContact CD-OG1 3.47Å; H143-T151 CarbonylContact O-C 3.54Å; H143-T151 WeakPolarHBondContact O-CA 3.32Å; E144-T151 HydrophobicContact CB-CG2 3.96Å; E144-T151 HydrophobicContact CG-CG2 3.84Å |
| 152 | F | 86.1 | Confident | 86.5 | Confident | 42 Ų | 42 | 76.8 Ų | 76.8 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.7 | -175.2 | -60.3 | -86.4 | 0 | 0 | 0 | 110.9 | K141 H143 C145 K150 R154 H157 L158 H161 | K141-F152 CarbonylContact C-O 3.52Å; K141-F152 VanDerWaalsContact C-O 3.3Å; H143-F152 HydrophobicContact CB-CB 4.36Å; H143-F152 PolarHBondContact N-O 3.15Å; H143-F152 VanDerWaalsContact N-O 3.12Å; H143-F152 PolarHBondContact O-N 3.12Å; C145-F152 HydrophobicContact CB-CE2 4.3Å; K150-F152 HydrophobicContact CB-CE2 3.88Å; K150-F152 HydrophobicContact CB-CZ 4.03Å; K150-F152 WeakPolarHBondContact O-CD2 3.41Å; K150-F152 VanDerWaalsContact O-CE2 3.32Å; K150-F152 WeakPolarHBondContact O-CE2 3.38Å; F152-R154 VanDerWaalsContact C-N 3.27Å; F152-R154 PolarHBondContact O-N 3.43Å; F152-H157 HydrophobicContact CB-CB 4.1Å; F152-H157 HydrophobicContact CD1-CB 3.87Å; F152-H157 HydrophobicContact CG-CB 4.2Å; F152-L158 HydrophobicContact CB-CB 4.39Å; F152-L158 HydrophobicContact CD2-CB 3.92Å; F152-L158 HydrophobicContact CD2-CD1 3.79Å; F152-L158 HydrophobicContact CD2-CG 4.47Å; F152-L158 HydrophobicContact CE2-CD1 3.94Å; F152-L158 HydrophobicContact CG-CB 4.35Å; F152-H161 HydrophobicContact CE1-CB 4.03Å; F152-H161 HydrophobicContact CE2-CB 3.84Å; F152-H161 AromaticContact CE2-CD2 3.42Å; F152-H161 VanDerWaalsContact CE2-CD2 3.42Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.35Å; F152-H161 AromaticContact CE2-CG 3.62Å; F152-H161 HydrophobicContact CZ-CB 3.45Å; F152-H161 VanDerWaalsContact CZ-CB 3.45Å; F152-H161 AromaticContact CZ-CD2 3.46Å; F152-H161 VanDerWaalsContact CZ-CD2 3.46Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.5Å; F152-H161 AromaticContact CZ-CG 3.21Å; F152-H161 AromaticContact CZ-ND1 3.68Å |
| 153 | K | 85.1 | Confident | 86.8 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 27% | 0.27 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -76.9 | -10.8 | 175.2 | -59.7 | -167.9 | 176.9 | -147.8 | 0 | 113.8 | I135 S136 S138 K141 | I135-K153 HydrophobicContact CG2-CB 4.18Å; I135-K153 HydrophobicContact CG2-CD 4.42Å; I135-K153 HydrophobicContact CG2-CG 4.33Å; I135-K153 PolarHBondContact O-NZ 2.88Å; S136-K153 VanDerWaalsContact C-NZ 3.35Å; S136-K153 PolarHBondContact O-NZ 2.72Å; S138-K153 PolarHBondContact O-NZ 3.2Å; K141-K153 HydrophobicContact CG-CG 3.93Å |
| 154 | R | 84.6 | Confident | 87 | Confident | 107 Ų | 107 | 75 Ų | 75 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -139.6 | 139.1 | -177 | -60.5 | -164.1 | -72.3 | -179.9 | -9.6 | 111.2 | F152 S156 H157 L158 | F152-R154 VanDerWaalsContact C-N 3.27Å; F152-R154 PolarHBondContact O-N 3.43Å; R154-S156 VanDerWaalsContact C-N 3.34Å; R154-S156 PolarHBondContact O-N 3.46Å; R154-H157 HydrophobicContact CB-CB 4.24Å; R154-H157 VanDerWaalsContact CZ-NE2 3.27Å; R154-H157 PolarHBondContact NE-CE1 3.32Å; R154-H157 VanDerWaalsContact NE-CE1 3.32Å; R154-H157 PolarHBondContact NE-NE2 2.87Å; R154-H157 VanDerWaalsContact NE-NE2 3.2Å; R154-H157 PolarHBondContact NH2-CE1 3.21Å; R154-H157 VanDerWaalsContact NH2-CE1 3.3Å; R154-H157 PolarHBondContact NH2-NE2 3.17Å; R154-H157 WeakPolarHBondContact O-CB 3.3Å; R154-H157 PolarHBondContact O-N 3.35Å; R154-H157 VanDerWaalsContact O-N 3.14Å; R154-L158 PolarHBondContact O-N 3.27Å |
| 155 | S | 84.6 | Confident | 86.8 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 51% | 0.51 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 174.6 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | H143 H157 L158 R159 | H143-S155 PolarHBondContact CD2-N 2.86Å; H143-S155 PolarHBondContact NE2-N 3.12Å; S155-H157 PolarHBondContact O-N 3.28Å; S155-L158 CarbonylContact O-C 3.58Å; S155-L158 WeakPolarHBondContact O-CA 3.12Å; S155-L158 WeakPolarHBondContact O-CB 3.15Å; S155-L158 PolarHBondContact O-N 2.97Å; S155-R159 PolarHBondContact O-N 2.59Å |
| 156 | S | 85.8 | Confident | 86.6 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -30.5 | 176.6 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | R154 R160 | R154-S156 VanDerWaalsContact C-N 3.34Å; R154-S156 PolarHBondContact O-N 3.46Å; S156-R160 WeakPolarHBondContact O-CB 3.22Å; S156-R160 PolarHBondContact O-N 2.81Å; S156-R160 VanDerWaalsContact O-N 3.16Å |
| 157 | H | 87.3 | Confident | 86.4 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 23% | 0.227 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71 | -41.8 | 172.7 | -72.7 | -171.8 | 0 | 0 | 0 | 111.9 | F152 R154 S155 R160 H161 | F152-H157 HydrophobicContact CB-CB 4.1Å; F152-H157 HydrophobicContact CD1-CB 3.87Å; F152-H157 HydrophobicContact CG-CB 4.2Å; R154-H157 HydrophobicContact CB-CB 4.24Å; R154-H157 VanDerWaalsContact CZ-NE2 3.27Å; R154-H157 PolarHBondContact NE-CE1 3.32Å; R154-H157 VanDerWaalsContact NE-CE1 3.32Å; R154-H157 PolarHBondContact NE-NE2 2.87Å; R154-H157 VanDerWaalsContact NE-NE2 3.2Å; R154-H157 PolarHBondContact NH2-CE1 3.21Å; R154-H157 VanDerWaalsContact NH2-CE1 3.3Å; R154-H157 PolarHBondContact NH2-NE2 3.17Å; R154-H157 WeakPolarHBondContact O-CB 3.3Å; R154-H157 PolarHBondContact O-N 3.35Å; R154-H157 VanDerWaalsContact O-N 3.14Å; S155-H157 PolarHBondContact O-N 3.28Å; H157-R160 PolarHBondContact CD2-NH2 2.97Å; H157-R160 PolarHBondContact NE2-NH2 3.21Å; H157-R160 VanDerWaalsContact NE2-NH2 3.12Å; H157-H161 VanDerWaalsContact O-CB 3.27Å; H157-H161 WeakPolarHBondContact O-CB 3.38Å; H157-H161 PolarHBondContact O-N 3.22Å |
| 158 | L | 87.9 | Confident | 86.4 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 174.6 | 173 | 62.2 | 0 | 0 | 0 | 110.7 | H143 E144 C145 F152 R154 S155 R160 H161 C162 | H143-L158 HydrophobicContact CB-CB 4.03Å; H143-L158 HydrophobicContact CB-CD2 3.82Å; E144-L158 WeakPolarHBondContact O-CD2 3.4Å; C145-L158 VanDerWaalsContact CA-CD1 3.5Å; C145-L158 HydrophobicContact CB-CD1 3.55Å; F152-L158 HydrophobicContact CB-CB 4.39Å; F152-L158 HydrophobicContact CD2-CB 3.92Å; F152-L158 HydrophobicContact CD2-CD1 3.79Å; F152-L158 HydrophobicContact CD2-CG 4.47Å; F152-L158 HydrophobicContact CE2-CD1 3.94Å; F152-L158 HydrophobicContact CG-CB 4.35Å; R154-L158 PolarHBondContact O-N 3.27Å; S155-L158 CarbonylContact O-C 3.58Å; S155-L158 WeakPolarHBondContact O-CA 3.12Å; S155-L158 WeakPolarHBondContact O-CB 3.15Å; S155-L158 PolarHBondContact O-N 2.97Å; L158-R160 VanDerWaalsContact C-N 3.35Å; L158-R160 PolarHBondContact O-N 2.81Å; L158-H161 CarbonylContact O-C 3.43Å; L158-H161 WeakPolarHBondContact O-CA 3.46Å; L158-H161 VanDerWaalsContact O-CB 3.28Å; L158-H161 WeakPolarHBondContact O-CB 3.42Å; L158-H161 PolarHBondContact O-N 3.08Å; L158-C162 PolarHBondContact O-N 3.5Å; L158-C162 PolarHBondContact O-SG 3.25Å |
| 159 | R | 85.8 | Confident | 86.3 | Confident | 193 Ų | 193 | 71.8 Ų | 71.8 | 73% | 0.728 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -55.2 | -48.9 | 178.2 | -173.1 | 179.7 | -68.2 | 173.1 | -2.1 | 111.9 | S155 H161 C162 N163 | S155-R159 PolarHBondContact O-N 2.59Å; R159-H161 VanDerWaalsContact C-N 3.27Å; R159-H161 PolarHBondContact O-N 3.32Å; R159-C162 WeakPolarHBondContact O-CB 3.43Å; R159-C162 PolarHBondContact O-N 3.24Å; R159-C162 VanDerWaalsContact O-N 3.15Å; R159-N163 PolarHBondContact O-N 3.38Å; R159-N163 PolarHBondContact O-OD1 2.93Å |
| 160 | R | 85.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 72 Ų | 72 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -34.5 | 175.3 | 178.6 | 174.2 | 58.4 | 160.8 | -8.2 | 112.8 | S156 H157 L158 N163 E182 | S156-R160 WeakPolarHBondContact O-CB 3.22Å; S156-R160 PolarHBondContact O-N 2.81Å; S156-R160 VanDerWaalsContact O-N 3.16Å; H157-R160 PolarHBondContact CD2-NH2 2.97Å; H157-R160 PolarHBondContact NE2-NH2 3.21Å; H157-R160 VanDerWaalsContact NE2-NH2 3.12Å; L158-R160 VanDerWaalsContact C-N 3.35Å; L158-R160 PolarHBondContact O-N 2.81Å; R160-N163 WeakPolarHBondContact O-CB 3.49Å; R160-N163 PolarHBondContact O-N 2.87Å; R160-E182 VanDerWaalsContact CD-CD 3.5Å; R160-E182 VanDerWaalsContact CD-OE1 3.3Å; R160-E182 WeakPolarHBondContact CD-OE1 3.5Å; R160-E182 HydrophobicContact CG-CG 4.33Å; R160-E182 IonicContact CZ-OE1 3.88Å; R160-E182 IonicContact CZ-OE2 3.68Å; R160-E182 IonicContact NE-OE1 3.15Å; R160-E182 IonicContact NH1-OE1 2.59Å; R160-E182 PolarHBondContact NH1-OE1 3.2Å; R160-E182 VanDerWaalsContact NH1-OE1 3.15Å; R160-E182 IonicContact NH1-OE2 3.4Å; R160-E182 PolarHBondContact NH1-OE2 3.38Å |
| 161 | H | 88.4 | Confident | 86.2 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 174 | 174.1 | 67.4 | 0 | 0 | 0 | 111.8 | C145 C148 F152 H157 L158 R159 N163 I164 H165 | C145-H161 VanDerWaalsContact SG-CD2 3.6Å; C148-H161 PolarHBondContact SG-NE2 2.84Å; F152-H161 HydrophobicContact CE1-CB 4.03Å; F152-H161 HydrophobicContact CE2-CB 3.84Å; F152-H161 AromaticContact CE2-CD2 3.42Å; F152-H161 VanDerWaalsContact CE2-CD2 3.42Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.35Å; F152-H161 AromaticContact CE2-CG 3.62Å; F152-H161 HydrophobicContact CZ-CB 3.45Å; F152-H161 VanDerWaalsContact CZ-CB 3.45Å; F152-H161 AromaticContact CZ-CD2 3.46Å; F152-H161 VanDerWaalsContact CZ-CD2 3.46Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.5Å; F152-H161 AromaticContact CZ-CG 3.21Å; F152-H161 AromaticContact CZ-ND1 3.68Å; H157-H161 VanDerWaalsContact O-CB 3.27Å; H157-H161 WeakPolarHBondContact O-CB 3.38Å; H157-H161 PolarHBondContact O-N 3.22Å; L158-H161 CarbonylContact O-C 3.43Å; L158-H161 WeakPolarHBondContact O-CA 3.46Å; L158-H161 VanDerWaalsContact O-CB 3.28Å; L158-H161 WeakPolarHBondContact O-CB 3.42Å; L158-H161 PolarHBondContact O-N 3.08Å; R159-H161 VanDerWaalsContact C-N 3.27Å; R159-H161 PolarHBondContact O-N 3.32Å; H161-N163 PolarHBondContact O-N 3.49Å; H161-I164 WeakPolarHBondContact O-CA 3.44Å; H161-I164 WeakPolarHBondContact O-CB 3.42Å; H161-I164 VanDerWaalsContact O-CG1 3.24Å; H161-I164 WeakPolarHBondContact O-CG1 3.14Å; H161-I164 PolarHBondContact O-N 3.16Å; H161-H165 AromaticContact CE1-NE2 3.81Å; H161-H165 AromaticContact NE2-CD2 3.93Å; H161-H165 AromaticContact NE2-NE2 3.36Å; H161-H165 PolarHBondContact NE2-NE2 3.34Å |
| 162 | C | 86.9 | Confident | 86.2 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 28% | 0.284 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.3 | -29 | 176.1 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | L158 R159 I164 H165 A166 | L158-C162 PolarHBondContact O-N 3.5Å; L158-C162 PolarHBondContact O-SG 3.25Å; R159-C162 WeakPolarHBondContact O-CB 3.43Å; R159-C162 PolarHBondContact O-N 3.24Å; R159-C162 VanDerWaalsContact O-N 3.15Å; C162-I164 PolarHBondContact O-N 3.14Å; C162-H165 PolarHBondContact O-N 3.39Å; C162-A166 PolarHBondContact O-N 3.47Å |
| 163 | N | 87.6 | Confident | 86.3 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 16% | 0.16 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.8 | -19.2 | 170.1 | -64.4 | -12.1 | 0 | 0 | 0 | 113.1 | R159 R160 H161 G167 L168 | R159-N163 PolarHBondContact O-N 3.38Å; R159-N163 PolarHBondContact O-OD1 2.93Å; R160-N163 WeakPolarHBondContact O-CB 3.49Å; R160-N163 PolarHBondContact O-N 2.87Å; H161-N163 PolarHBondContact O-N 3.49Å; N163-G167 CarbonylContact O-C 3.48Å; N163-G167 PolarHBondContact O-N 3.45Å; N163-L168 HydrophobicContact CB-CB 4.18Å; N163-L168 PolarHBondContact O-N 2.97Å; N163-L168 VanDerWaalsContact O-N 3.08Å |
| 164 | I | 87.1 | Confident | 86.4 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 42% | 0.415 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.4 | -45.9 | 173.3 | -56.4 | -178.5 | 0 | 0 | 0 | 110.9 | H161 C162 G167 R181 | H161-I164 WeakPolarHBondContact O-CA 3.44Å; H161-I164 WeakPolarHBondContact O-CB 3.42Å; H161-I164 VanDerWaalsContact O-CG1 3.24Å; H161-I164 WeakPolarHBondContact O-CG1 3.14Å; H161-I164 PolarHBondContact O-N 3.16Å; C162-I164 PolarHBondContact O-N 3.14Å; I164-G167 PolarHBondContact O-N 2.58Å; I164-R181 PolarHBondContact O-NH2 2.84Å |
| 165 | H | 86.8 | Confident | 86.5 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 39% | 0.389 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.2 | -46.5 | 179.8 | -67.3 | -69.7 | 0 | 0 | 0 | 111.1 | D147 C148 H161 C162 G167 | D147-H165 IonicContact OD2-CD2 3.67Å; D147-H165 IonicContact OD2-CG 3.15Å; C148-H165 PolarHBondContact SG-NE2 2.95Å; C148-H165 VanDerWaalsContact SG-NE2 3.4Å; H161-H165 AromaticContact CE1-NE2 3.81Å; H161-H165 AromaticContact NE2-CD2 3.93Å; H161-H165 AromaticContact NE2-NE2 3.36Å; H161-H165 PolarHBondContact NE2-NE2 3.34Å; C162-H165 PolarHBondContact O-N 3.39Å; H165-G167 PolarHBondContact O-N 3.35Å |
| 166 | A | 84.7 | Confident | 86.7 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -74.8 | -3.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | C162 L168 | C162-A166 PolarHBondContact O-N 3.47Å; A166-L168 HydrophobicContact CB-CD1 3.96Å; A166-L168 HydrophobicContact CB-CG 3.75Å; A166-L168 PolarHBondContact O-N 3.35Å |
| 167 | G | 85.4 | Confident | 86.8 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 45% | 0.454 | 38% | 0.381 | S | S | . | . | trans | 66.6 | 4.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N163 I164 H165 R169 | N163-G167 CarbonylContact O-C 3.48Å; N163-G167 PolarHBondContact O-N 3.45Å; I164-G167 PolarHBondContact O-N 2.58Å; H165-G167 PolarHBondContact O-N 3.35Å; G167-R169 PolarHBondContact O-N 3.47Å | ||
| 168 | L | 85 | Confident | 86.7 | Confident | 98 Ų | 98 | 78.6 Ų | 78.6 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | trans | -64.5 | 133.5 | -175.1 | -62.5 | 177.5 | 0 | 0 | 0 | 111.7 | N163 A166 R181 | N163-L168 HydrophobicContact CB-CB 4.18Å; N163-L168 PolarHBondContact O-N 2.97Å; N163-L168 VanDerWaalsContact O-N 3.08Å; A166-L168 HydrophobicContact CB-CD1 3.96Å; A166-L168 HydrophobicContact CB-CG 3.75Å; A166-L168 PolarHBondContact O-N 3.35Å; L168-R181 WeakPolarHBondContact O-CG 3.46Å | ||
| 169 | R | 87.3 | Confident | 86.8 | Confident | 117 Ų | 117 | 83.4 Ų | 83.4 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | trans | -131.8 | 79.4 | 175 | -67 | 175.7 | 174.4 | -107.6 | -0.4 | 108.8 | G167 F171 R179 F180 R181 | G167-R169 PolarHBondContact O-N 3.47Å; R169-F171 PolarHBondContact O-N 3.07Å; R169-R179 HydrophobicContact CB-CB 3.56Å; R169-R179 WeakPolarHBondContact CD-O 3.44Å; R169-R179 HydrophobicContact CG-CB 4.42Å; R169-R179 PolarHBondContact NH1-O 3.33Å; R169-F180 CarbonylContact C-O 3.3Å; R169-F180 VanDerWaalsContact C-O 3.22Å; R169-F180 VanDerWaalsContact CA-O 3.26Å; R169-F180 WeakPolarHBondContact CA-O 3.31Å; R169-R181 HydrophobicContact CG-CG 3.98Å | ||
| 170 | P | 84.5 | Confident | 86.8 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 28% | 0.279 | 39% | 0.386 | S | S | . | . | trans | -68.3 | -19.4 | -171.2 | 24 | -31.6 | 0 | 0 | 0 | 113.4 | ||||
| 171 | F | 85.7 | Confident | 86.8 | Confident | 23 Ų | 23 | 74.4 Ų | 74.4 | 10% | 0.101 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 111.2 | -175.8 | -61.4 | -80.4 | 0 | 0 | 0 | 111 | R169 R179 F180 R181 A183 L186 P241 | R169-F171 PolarHBondContact O-N 3.07Å; F171-R179 CarbonylContact O-C 3.47Å; F171-R179 VanDerWaalsContact O-CA 3.24Å; F171-R179 WeakPolarHBondContact O-CA 3.14Å; F171-F180 HydrophobicContact CB-CB 4.14Å; F171-F180 PolarHBondContact N-O 2.97Å; F171-F180 VanDerWaalsContact N-O 3.12Å; F171-F180 PolarHBondContact O-N 3.15Å; F171-R181 WeakPolarHBondContact CD2-O 3.43Å; F171-R181 WeakPolarHBondContact CE2-O 3.49Å; F171-A183 HydrophobicContact CD1-CB 4.05Å; F171-A183 HydrophobicContact CE1-CB 3.53Å; F171-A183 HydrophobicContact CE2-CB 4.49Å; F171-A183 VanDerWaalsContact CE2-N 3.32Å; F171-A183 HydrophobicContact CZ-CB 3.79Å; F171-L186 HydrophobicContact CB-CB 4.06Å; F171-L186 HydrophobicContact CB-CD2 3.75Å; F171-L186 HydrophobicContact CD1-CD2 4.48Å; F171-P241 HydrophobicContact CD1-CB 4.46Å; F171-P241 HydrophobicContact CD1-CG 4.46Å; F171-P241 HydrophobicContact CE1-CB 3.86Å; F171-P241 HydrophobicContact CE1-CG 3.46Å; F171-P241 VanDerWaalsContact CE1-CG 3.46Å; F171-P241 HydrophobicContact CZ-CB 4.22Å; F171-P241 HydrophobicContact CZ-CG 3.72Å |
| 172 | R | 87.8 | Confident | 86.7 | Confident | 149 Ų | 149 | 76.7 Ų | 76.7 | 56% | 0.562 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139.5 | 178.6 | -179.1 | 177.8 | 175.8 | -178.6 | 0.6 | 111.4 | R179 L186 | R172-R179 HydrophobicContact CB-CG 4.26Å; R172-R179 HydrophobicContact CG-CG 4.26Å; R172-L186 WeakPolarHBondContact O-CD2 3.38Å |
| 173 | C | 89 | Confident | 86.6 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | trans | -75.7 | 134.2 | 167.4 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | L175 C176 R178 F180 L186 H190 | C173-L175 VanDerWaalsContact C-N 3.34Å; C173-L175 PolarHBondContact SG-N 2.74Å; C173-L175 VanDerWaalsContact SG-N 3.43Å; C173-C176 CarbonylContact C-O 3.5Å; C173-R178 PolarHBondContact N-O 2.8Å; C173-F180 HydrophobicContact CB-CE2 4.45Å; C173-L186 HydrophobicContact CB-CD1 3.81Å; C173-H190 VanDerWaalsContact SG-CD2 3.59Å; C173-H190 PolarHBondContact SG-NE2 3.27Å | ||
| 174 | V | 87.3 | Confident | 86.5 | Confident | 132 Ų | 132 | 76.8 Ų | 76.8 | 80% | 0.8 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -77.4 | -23.9 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 175 | L | 85.6 | Confident | 86.4 | Confident | 114 Ų | 114 | 76.8 Ų | 76.8 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -92 | -14.3 | -176.2 | -58.3 | 177.4 | 0 | 0 | 0 | 113.3 | C173 H193 | C173-L175 VanDerWaalsContact C-N 3.34Å; C173-L175 PolarHBondContact SG-N 2.74Å; C173-L175 VanDerWaalsContact SG-N 3.43Å; L175-H193 HydrophobicContact CD1-CB 3.36Å; L175-H193 VanDerWaalsContact CD1-CG 3.49Å |
| 176 | C | 89 | Confident | 86.5 | Confident | 28 Ų | 28 | 73 Ų | 73 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -154.4 | 163.9 | 178.4 | 78.9 | 0 | 0 | 0 | 0 | 111.5 | C173 R178 H189 | C173-C176 CarbonylContact C-O 3.5Å; C176-R178 PolarHBondContact O-N 3.12Å; C176-H189 PolarHBondContact SG-NE2 3.27Å |
| 177 | P | 87.1 | Confident | 86.5 | Confident | 116 Ų | 116 | 70.6 Ų | 70.6 | 75% | 0.753 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -72.2 | 7.2 | -176.8 | 29 | -35.3 | 0 | 0 | 0 | 114.6 | ||
| 178 | R | 86.7 | Confident | 86.4 | Confident | 156 Ų | 156 | 70.8 Ų | 70.8 | 59% | 0.589 | 36% | 0.355 | S | S | * | . | trans | -73.1 | 140.5 | -178.2 | -69.5 | -171.5 | 170 | -156.2 | -0.9 | 111.9 | C173 C176 F180 | C173-R178 PolarHBondContact N-O 2.8Å; C176-R178 PolarHBondContact O-N 3.12Å; R178-F180 HydrophobicContact CB-CE2 3.79Å; R178-F180 HydrophobicContact CB-CZ 3.91Å | ||
| 179 | R | 88.8 | Confident | 86.5 | Confident | 132 Ų | 132 | 66.6 Ų | 66.6 | 50% | 0.498 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.3 | 175.1 | -58.8 | -179.5 | 170.8 | -123.2 | 6.2 | 111 | R169 F171 R172 | R169-R179 HydrophobicContact CB-CB 3.56Å; R169-R179 WeakPolarHBondContact CD-O 3.44Å; R169-R179 HydrophobicContact CG-CB 4.42Å; R169-R179 PolarHBondContact NH1-O 3.33Å; F171-R179 CarbonylContact O-C 3.47Å; F171-R179 VanDerWaalsContact O-CA 3.24Å; F171-R179 WeakPolarHBondContact O-CA 3.14Å; R172-R179 HydrophobicContact CB-CG 4.26Å; R172-R179 HydrophobicContact CG-CG 4.26Å |
| 180 | F | 86.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 156.3 | -172.6 | -60 | -87.5 | 0 | 0 | 0 | 110.9 | R169 F171 C173 R178 E185 L186 H189 | R169-F180 CarbonylContact C-O 3.3Å; R169-F180 VanDerWaalsContact C-O 3.22Å; R169-F180 VanDerWaalsContact CA-O 3.26Å; R169-F180 WeakPolarHBondContact CA-O 3.31Å; F171-F180 HydrophobicContact CB-CB 4.14Å; F171-F180 PolarHBondContact N-O 2.97Å; F171-F180 VanDerWaalsContact N-O 3.12Å; F171-F180 PolarHBondContact O-N 3.15Å; C173-F180 HydrophobicContact CB-CE2 4.45Å; R178-F180 HydrophobicContact CB-CE2 3.79Å; R178-F180 HydrophobicContact CB-CZ 3.91Å; F180-E185 HydrophobicContact CB-CB 3.99Å; F180-E185 HydrophobicContact CD1-CB 3.76Å; F180-E185 HydrophobicContact CG-CB 4.15Å; F180-L186 HydrophobicContact CB-CB 4.24Å; F180-L186 HydrophobicContact CD2-CB 3.98Å; F180-L186 HydrophobicContact CD2-CD1 3.6Å; F180-L186 HydrophobicContact CD2-CG 4.4Å; F180-L186 HydrophobicContact CE2-CD1 3.82Å; F180-L186 HydrophobicContact CG-CB 4.24Å; F180-H189 HydrophobicContact CE1-CB 3.86Å; F180-H189 HydrophobicContact CE2-CB 3.85Å; F180-H189 AromaticContact CE2-CD2 3.32Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.23Å; F180-H189 AromaticContact CE2-CG 3.59Å; F180-H189 HydrophobicContact CZ-CB 3.38Å; F180-H189 AromaticContact CZ-CD2 3.38Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.15Å; F180-H189 AromaticContact CZ-CG 3.15Å; F180-H189 AromaticContact CZ-ND1 3.66Å; F180-H189 AromaticContact CZ-NE2 3.95Å |
| 181 | R | 85.6 | Confident | 86.4 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -87.7 | -22.5 | -179.5 | -67.3 | -173.3 | 169.3 | 153.3 | -4.8 | 112 | I164 L168 R169 F171 E185 | I164-R181 PolarHBondContact O-NH2 2.84Å; L168-R181 WeakPolarHBondContact O-CG 3.46Å; R169-R181 HydrophobicContact CG-CG 3.98Å; F171-R181 WeakPolarHBondContact CD2-O 3.43Å; F171-R181 WeakPolarHBondContact CE2-O 3.49Å; R181-E185 PolarHBondContact N-OE2 2.89Å; R181-E185 VanDerWaalsContact N-OE2 3.12Å |
| 182 | E | 85.6 | Confident | 86.3 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -130.2 | 146.2 | -177.3 | -43.9 | -168.1 | -179 | 0 | 0 | 112.4 | R160 G184 E185 L186 | R160-E182 VanDerWaalsContact CD-CD 3.5Å; R160-E182 VanDerWaalsContact CD-OE1 3.3Å; R160-E182 WeakPolarHBondContact CD-OE1 3.5Å; R160-E182 HydrophobicContact CG-CG 4.33Å; R160-E182 IonicContact CZ-OE1 3.88Å; R160-E182 IonicContact CZ-OE2 3.68Å; R160-E182 IonicContact NE-OE1 3.15Å; R160-E182 IonicContact NH1-OE1 2.59Å; R160-E182 PolarHBondContact NH1-OE1 3.2Å; R160-E182 VanDerWaalsContact NH1-OE1 3.15Å; R160-E182 IonicContact NH1-OE2 3.4Å; R160-E182 PolarHBondContact NH1-OE2 3.38Å; E182-G184 PolarHBondContact O-N 3.06Å; E182-E185 HydrophobicContact CB-CB 4.45Å; E182-E185 HydrophobicContact CB-CG 4.02Å; E182-E185 HydrophobicContact CG-CG 4.32Å; E182-E185 PolarHBondContact N-OE2 2.82Å; E182-E185 WeakPolarHBondContact O-CB 3.44Å; E182-E185 PolarHBondContact O-N 3.01Å; E182-E185 VanDerWaalsContact O-N 3.16Å; E182-L186 PolarHBondContact O-N 3.46Å |
| 183 | A | 85.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 21% | 0.207 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.5 | -38.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F171 E185 L186 A187 P239 | F171-A183 HydrophobicContact CD1-CB 4.05Å; F171-A183 HydrophobicContact CE1-CB 3.53Å; F171-A183 HydrophobicContact CE2-CB 4.49Å; F171-A183 VanDerWaalsContact CE2-N 3.32Å; F171-A183 HydrophobicContact CZ-CB 3.79Å; A183-E185 VanDerWaalsContact C-N 3.34Å; A183-E185 PolarHBondContact O-N 3.35Å; A183-L186 PolarHBondContact O-N 3.02Å; A183-A187 WeakPolarHBondContact O-CB 3.36Å; A183-A187 PolarHBondContact O-N 3.09Å; A183-P239 HydrophobicContact CB-CG 3.91Å; A183-P239 WeakPolarHBondContact O-CG 3.1Å |
| 184 | G | 84.5 | Confident | 85.7 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 52% | 0.515 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.8 | -34.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E182 H188 | E182-G184 PolarHBondContact O-N 3.06Å; G184-H188 WeakPolarHBondContact O-CB 3.46Å; G184-H188 PolarHBondContact O-N 3.11Å |
| 185 | E | 86 | Confident | 85.3 | Confident | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 175 | -67.3 | 178.8 | 156.4 | 0 | 0 | 111 | F180 R181 E182 A183 H188 H189 | F180-E185 HydrophobicContact CB-CB 3.99Å; F180-E185 HydrophobicContact CD1-CB 3.76Å; F180-E185 HydrophobicContact CG-CB 4.15Å; R181-E185 PolarHBondContact N-OE2 2.89Å; R181-E185 VanDerWaalsContact N-OE2 3.12Å; E182-E185 HydrophobicContact CB-CB 4.45Å; E182-E185 HydrophobicContact CB-CG 4.02Å; E182-E185 HydrophobicContact CG-CG 4.32Å; E182-E185 PolarHBondContact N-OE2 2.82Å; E182-E185 WeakPolarHBondContact O-CB 3.44Å; E182-E185 PolarHBondContact O-N 3.01Å; E182-E185 VanDerWaalsContact O-N 3.16Å; A183-E185 VanDerWaalsContact C-N 3.34Å; A183-E185 PolarHBondContact O-N 3.35Å; E185-H188 PolarHBondContact O-N 3.48Å; E185-H189 VanDerWaalsContact O-CB 3.31Å; E185-H189 WeakPolarHBondContact O-CB 3.37Å; E185-H189 PolarHBondContact O-N 3.2Å |
| 186 | L | 88.6 | Confident | 85.1 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 176 | 177.3 | 61.6 | 0 | 0 | 0 | 111.6 | F171 R172 C173 F180 E182 A183 H188 H189 H190 P239 | F171-L186 HydrophobicContact CB-CB 4.06Å; F171-L186 HydrophobicContact CB-CD2 3.75Å; F171-L186 HydrophobicContact CD1-CD2 4.48Å; R172-L186 WeakPolarHBondContact O-CD2 3.38Å; C173-L186 HydrophobicContact CB-CD1 3.81Å; F180-L186 HydrophobicContact CB-CB 4.24Å; F180-L186 HydrophobicContact CD2-CB 3.98Å; F180-L186 HydrophobicContact CD2-CD1 3.6Å; F180-L186 HydrophobicContact CD2-CG 4.4Å; F180-L186 HydrophobicContact CE2-CD1 3.82Å; F180-L186 HydrophobicContact CG-CB 4.24Å; E182-L186 PolarHBondContact O-N 3.46Å; A183-L186 PolarHBondContact O-N 3.02Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 2.94Å; L186-H189 WeakPolarHBondContact O-CB 3.38Å; L186-H189 PolarHBondContact O-N 2.75Å; L186-H189 VanDerWaalsContact O-N 3.14Å; L186-H190 WeakPolarHBondContact CD1-NE2 3.44Å; L186-H190 PolarHBondContact O-CD2 3.24Å; L186-H190 PolarHBondContact O-N 2.88Å; L186-P239 HydrophobicContact CB-CG 3.91Å; L186-P239 HydrophobicContact CD2-CB 3.4Å; L186-P239 HydrophobicContact CD2-CG 3.73Å; L186-P239 HydrophobicContact CG-CB 4.01Å; L186-P239 HydrophobicContact CG-CG 3.9Å |
| 187 | A | 85.3 | Confident | 84.7 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A183 P239 | A183-A187 WeakPolarHBondContact O-CB 3.36Å; A183-A187 PolarHBondContact O-N 3.09Å; A187-P239 HydrophobicContact CB-CG 4.41Å |
| 188 | H | 83.8 | Confident | 84.3 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 22% | 0.218 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 173.2 | 179.6 | 53.4 | 0 | 0 | 0 | 111.7 | G184 E185 L186 H190 R191 E210 | G184-H188 WeakPolarHBondContact O-CB 3.46Å; G184-H188 PolarHBondContact O-N 3.11Å; E185-H188 PolarHBondContact O-N 3.48Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 2.94Å; H188-H190 VanDerWaalsContact C-N 3.29Å; H188-H190 PolarHBondContact O-N 3.18Å; H188-R191 PolarHBondContact ND1-NH1 3.47Å; H188-R191 VanDerWaalsContact O-CB 3.3Å; H188-R191 WeakPolarHBondContact O-CB 3.31Å; H188-R191 PolarHBondContact O-N 2.97Å; H188-R191 VanDerWaalsContact O-N 3.09Å; H188-E210 IonicContact CD2-OE1 3.99Å; H188-E210 WeakPolarHBondContact CE1-CG 3.49Å; H188-E210 IonicContact CE1-OE1 3.69Å; H188-E210 IonicContact NE2-OE1 2.79Å; H188-E210 PolarHBondContact NE2-OE1 2.8Å; H188-E210 VanDerWaalsContact NE2-OE1 3.15Å |
| 189 | H | 86.9 | Confident | 84 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.2 | -37.9 | 177.7 | 172.3 | 63.3 | 0 | 0 | 0 | 112.7 | C176 F180 E185 L186 R191 I192 H193 | C176-H189 PolarHBondContact SG-NE2 3.27Å; F180-H189 HydrophobicContact CE1-CB 3.86Å; F180-H189 HydrophobicContact CE2-CB 3.85Å; F180-H189 AromaticContact CE2-CD2 3.32Å; F180-H189 WeakPolarHBondContact CE2-CD2 3.23Å; F180-H189 AromaticContact CE2-CG 3.59Å; F180-H189 HydrophobicContact CZ-CB 3.38Å; F180-H189 AromaticContact CZ-CD2 3.38Å; F180-H189 WeakPolarHBondContact CZ-CD2 3.15Å; F180-H189 AromaticContact CZ-CG 3.15Å; F180-H189 AromaticContact CZ-ND1 3.66Å; F180-H189 AromaticContact CZ-NE2 3.95Å; E185-H189 VanDerWaalsContact O-CB 3.31Å; E185-H189 WeakPolarHBondContact O-CB 3.37Å; E185-H189 PolarHBondContact O-N 3.2Å; L186-H189 WeakPolarHBondContact O-CB 3.38Å; L186-H189 PolarHBondContact O-N 2.75Å; L186-H189 VanDerWaalsContact O-N 3.14Å; H189-R191 PolarHBondContact O-N 2.92Å; H189-R191 VanDerWaalsContact O-N 3.16Å; H189-I192 VanDerWaalsContact O-CB 3.23Å; H189-I192 WeakPolarHBondContact O-CB 3.48Å; H189-I192 WeakPolarHBondContact O-CG1 3.31Å; H189-I192 PolarHBondContact O-N 2.92Å; H189-H193 AromaticContact CE1-NE2 3.85Å; H189-H193 AromaticContact NE2-CD2 3.98Å; H189-H193 AromaticContact NE2-NE2 3.49Å; H189-H193 PolarHBondContact NE2-NE2 3.19Å |
| 190 | H | 84.6 | Confident | 83.8 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 22% | 0.218 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -27.8 | 175.9 | -73.5 | -173.2 | 0 | 0 | 0 | 113.1 | C173 L186 H188 I192 H193 S194 | C173-H190 VanDerWaalsContact SG-CD2 3.59Å; C173-H190 PolarHBondContact SG-NE2 3.27Å; L186-H190 WeakPolarHBondContact CD1-NE2 3.44Å; L186-H190 PolarHBondContact O-CD2 3.24Å; L186-H190 PolarHBondContact O-N 2.88Å; H188-H190 VanDerWaalsContact C-N 3.29Å; H188-H190 PolarHBondContact O-N 3.18Å; H190-I192 PolarHBondContact O-N 3.25Å; H190-H193 WeakPolarHBondContact O-CB 3.4Å; H190-H193 PolarHBondContact O-N 3.49Å; H190-S194 PolarHBondContact O-N 3.35Å |
| 191 | R | 85 | Confident | 83.7 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -19.5 | 174.6 | -56.1 | -178.6 | -159.9 | 143.9 | 11.2 | 113.4 | H188 H189 H193 S194 G195 E196 T209 P235 | H188-R191 PolarHBondContact ND1-NH1 3.47Å; H188-R191 VanDerWaalsContact O-CB 3.3Å; H188-R191 WeakPolarHBondContact O-CB 3.31Å; H188-R191 PolarHBondContact O-N 2.97Å; H188-R191 VanDerWaalsContact O-N 3.09Å; H189-R191 PolarHBondContact O-N 2.92Å; H189-R191 VanDerWaalsContact O-N 3.16Å; R191-H193 VanDerWaalsContact C-N 3.33Å; R191-S194 WeakPolarHBondContact CA-OG 3.16Å; R191-G195 VanDerWaalsContact O-CA 3.31Å; R191-G195 WeakPolarHBondContact O-CA 3.3Å; R191-G195 PolarHBondContact O-N 3.24Å; R191-E196 HydrophobicContact CB-CB 4.45Å; R191-E196 HydrophobicContact CG-CB 4.45Å; R191-E196 PolarHBondContact O-N 3.43Å; R191-T209 PolarHBondContact NH1-O 2.89Å; R191-P235 VanDerWaalsContact CZ-CG 3.41Å |
| 192 | I | 82.9 | Confident | 83.4 | Confident | 115 Ų | 115 | 53 Ų | 53 | 59% | 0.59 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | 173.1 | -56.8 | 178.1 | 0 | 0 | 0 | 109.9 | H189 H190 | H189-I192 VanDerWaalsContact O-CB 3.23Å; H189-I192 WeakPolarHBondContact O-CB 3.48Å; H189-I192 WeakPolarHBondContact O-CG1 3.31Å; H189-I192 PolarHBondContact O-N 2.92Å; H190-I192 PolarHBondContact O-N 3.25Å |
| 193 | H | 82.7 | Confident | 83.2 | Confident | 82 Ų | 82 | 52.5 Ų | 52.5 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -76.8 | -40.4 | 177.6 | -67.9 | -71.8 | 0 | 0 | 0 | 112.3 | L175 H189 H190 R191 | L175-H193 HydrophobicContact CD1-CB 3.36Å; L175-H193 VanDerWaalsContact CD1-CG 3.49Å; H189-H193 AromaticContact CE1-NE2 3.85Å; H189-H193 AromaticContact NE2-CD2 3.98Å; H189-H193 AromaticContact NE2-NE2 3.49Å; H189-H193 PolarHBondContact NE2-NE2 3.19Å; H190-H193 WeakPolarHBondContact O-CB 3.4Å; H190-H193 PolarHBondContact O-N 3.49Å; R191-H193 VanDerWaalsContact C-N 3.33Å |
| 194 | S | 81.5 | Confident | 83.3 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -81.8 | -14.3 | 178.3 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | H190 R191 E196 | H190-S194 PolarHBondContact O-N 3.35Å; R191-S194 WeakPolarHBondContact CA-OG 3.16Å; S194-E196 PolarHBondContact O-N 3.17Å; S194-E196 VanDerWaalsContact OG-CG 3.31Å; S194-E196 WeakPolarHBondContact OG-CG 3.1Å; S194-E196 PolarHBondContact OG-OE1 2.75Å |
| 195 | G | 79.9 | Confident | 83.2 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 55% | 0.546 | 31% | 0.313 | S | S | . | . | trans | 68.2 | 10.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | R191 R197 | R191-G195 VanDerWaalsContact O-CA 3.31Å; R191-G195 WeakPolarHBondContact O-CA 3.3Å; R191-G195 PolarHBondContact O-N 3.24Å; G195-R197 PolarHBondContact O-N 2.87Å | ||
| 196 | E | 80.1 | Confident | 83.1 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | trans | -64.8 | 126.2 | -176.3 | -78.4 | 173 | -153.7 | 0 | 0 | 112.4 | R191 S194 P198 | R191-E196 HydrophobicContact CB-CB 4.45Å; R191-E196 HydrophobicContact CG-CB 4.45Å; R191-E196 PolarHBondContact O-N 3.43Å; S194-E196 PolarHBondContact O-N 3.17Å; S194-E196 VanDerWaalsContact OG-CG 3.31Å; S194-E196 WeakPolarHBondContact OG-CG 3.1Å; S194-E196 PolarHBondContact OG-OE1 2.75Å; E196-P198 VanDerWaalsContact C-CD 3.47Å; E196-P198 VanDerWaalsContact O-CD 3.27Å; E196-P198 WeakPolarHBondContact O-CD 3.44Å | ||
| 197 | R | 80.6 | Confident | 82.9 | Confident | 125 Ų | 125 | 64.7 Ų | 64.7 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | trans | -117.4 | 78.9 | 172.8 | -62.5 | 171.5 | 79.1 | 153.8 | 2.8 | 108.9 | G195 Y199 R207 F208 T209 | G195-R197 PolarHBondContact O-N 2.87Å; R197-Y199 PolarHBondContact O-N 3.32Å; R197-R207 HydrophobicContact CB-CB 3.6Å; R197-R207 PolarHBondContact NE-O 3.21Å; R197-R207 PolarHBondContact NH2-O 3.44Å; R197-R207 VanDerWaalsContact O-CZ 3.31Å; R197-R207 PolarHBondContact O-NE 2.66Å; R197-R207 PolarHBondContact O-NH2 3.18Å; R197-F208 CarbonylContact C-O 3.59Å; R197-F208 WeakPolarHBondContact CA-O 3.48Å; R197-T209 HydrophobicContact CG-CG2 3.88Å | ||
| 198 | P | 79.4 | Confident | 82.7 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | trans | -71.5 | -17.9 | -172.2 | 26 | -32.6 | 0 | 0 | 0 | 113 | E196 P235 | E196-P198 VanDerWaalsContact C-CD 3.47Å; E196-P198 VanDerWaalsContact O-CD 3.27Å; E196-P198 WeakPolarHBondContact O-CD 3.44Å; P198-P235 HydrophobicContact CG-CG 4.19Å | ||
| 199 | Y | 80.9 | Confident | 82.6 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 112.5 | -173.2 | -55.3 | -60.6 | 0 | 0 | 0 | 111.4 | R197 R207 F208 T209 E210 A211 L232 | R197-Y199 PolarHBondContact O-N 3.32Å; Y199-R207 CarbonylContact O-C 3.35Å; Y199-R207 VanDerWaalsContact O-CA 3.24Å; Y199-R207 WeakPolarHBondContact O-CA 3.37Å; Y199-F208 WeakPolarHBondContact CB-O 3.35Å; Y199-F208 PolarHBondContact N-O 3.41Å; Y199-F208 VanDerWaalsContact N-O 3.17Å; Y199-F208 PolarHBondContact O-N 3.48Å; Y199-T209 VanDerWaalsContact CE2-O 3.28Å; Y199-T209 WeakPolarHBondContact CE2-O 3.28Å; Y199-E210 VanDerWaalsContact CD2-CA 3.47Å; Y199-E210 VanDerWaalsContact CE2-C 3.48Å; Y199-A211 HydrophobicContact CD1-CB 4.33Å; Y199-A211 VanDerWaalsContact CD2-N 3.29Å; Y199-A211 HydrophobicContact CE1-CB 4.04Å; Y199-A211 HydrophobicContact CE2-CB 4.24Å; Y199-L232 HydrophobicContact CD1-CB 4.21Å; Y199-L232 HydrophobicContact CD1-CD2 3.19Å; Y199-L232 HydrophobicContact CD1-CG 4.27Å; Y199-L232 HydrophobicContact CE1-CB 3.98Å; Y199-L232 HydrophobicContact CE1-CD2 3.47Å; Y199-L232 VanDerWaalsContact CE1-CD2 3.47Å; Y199-L232 HydrophobicContact CE1-CG 4.26Å; Y199-L232 HydrophobicContact CG-CD2 4.15Å |
| 200 | Q | 83 | Confident | 82.4 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.9 | 178.9 | -171.7 | 170 | 34.3 | 0 | 0 | 111.1 | R205 R207 | Q200-R205 WeakPolarHBondContact CG-O 3.43Å; Q200-R205 PolarHBondContact NE2-O 2.67Å; Q200-R207 HydrophobicContact CB-CG 4.45Å; Q200-R207 HydrophobicContact CG-CG 4.26Å |
| 201 | C | 84 | Confident | 82.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -70.2 | 124.9 | 168.6 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | S203 C204 R205 V206 F208 L214 H222 | C201-S203 VanDerWaalsContact C-N 3.26Å; C201-S203 PolarHBondContact O-N 3.24Å; C201-C204 VanDerWaalsContact CB-SG 3.54Å; C201-C204 PolarHBondContact SG-SG 2.92Å; C201-R205 WeakPolarHBondContact O-CA 3.09Å; C201-R205 PolarHBondContact O-N 3.19Å; C201-V206 PolarHBondContact N-O 3.15Å; C201-F208 HydrophobicContact CB-CE2 4.35Å; C201-L214 HydrophobicContact CB-CD1 3.83Å; C201-H222 VanDerWaalsContact SG-CD2 3.58Å | ||
| 202 | P | 80.3 | Confident | 82.4 | Confident | 75 Ų | 75 | 71.1 Ų | 71.1 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.1 | -179.3 | 25.3 | -33 | 0 | 0 | 0 | 112.5 | Y218 | P202-Y218 HydrophobicContact CG-CE2 4.21Š|
| 203 | S | 82.2 | Confident | 82.6 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -44.7 | -173.9 | -50.6 | 0 | 0 | 0 | 0 | 113.1 | C201 H222 L225 | C201-S203 VanDerWaalsContact C-N 3.26Å; C201-S203 PolarHBondContact O-N 3.24Å; S203-H222 VanDerWaalsContact CB-CE1 3.49Å; S203-H222 WeakPolarHBondContact CB-CE1 3.24Å; S203-L225 WeakPolarHBondContact OG-CD1 3.39Å |
| 204 | C | 87 | Confident | 82.8 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 3.7 | -177.2 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | C201 V206 H217 H222 | C201-C204 VanDerWaalsContact CB-SG 3.54Å; C201-C204 PolarHBondContact SG-SG 2.92Å; C204-V206 HydrophobicContact CB-CG2 4.38Å; C204-V206 PolarHBondContact O-N 2.94Å; C204-V206 VanDerWaalsContact SG-CG2 3.57Å; C204-H217 PolarHBondContact SG-NE2 3.45Å; C204-H222 PolarHBondContact SG-NE2 3.18Å |
| 205 | R | 82.7 | Confident | 83 | Confident | 196 Ų | 196 | 68.4 Ų | 68.4 | 74% | 0.74 | 35% | 0.345 | S | S | * | . | trans | 58.2 | 6.3 | 178.4 | -62.4 | -174.8 | 179.4 | -174.1 | 0.4 | 116.1 | Q200 C201 R207 | Q200-R205 WeakPolarHBondContact CG-O 3.43Å; Q200-R205 PolarHBondContact NE2-O 2.67Å; C201-R205 WeakPolarHBondContact O-CA 3.09Å; C201-R205 PolarHBondContact O-N 3.19Å; R205-R207 PolarHBondContact O-N 3.43Å | ||
| 206 | V | 83.8 | Confident | 83.3 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | trans | -63.4 | 131.5 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | C201 C204 F208 | C201-V206 PolarHBondContact N-O 3.15Å; C204-V206 HydrophobicContact CB-CG2 4.38Å; C204-V206 PolarHBondContact O-N 2.94Å; C204-V206 VanDerWaalsContact SG-CG2 3.57Å; V206-F208 HydrophobicContact CB-CE2 4Å; V206-F208 HydrophobicContact CB-CZ 4.04Å; V206-F208 HydrophobicContact CG1-CE1 4.03Å; V206-F208 HydrophobicContact CG1-CE2 3.75Å; V206-F208 HydrophobicContact CG1-CZ 3.44Å; V206-F208 VanDerWaalsContact CG1-CZ 3.44Å; V206-F208 WeakPolarHBondContact O-CE2 3.27Å | ||
| 207 | R | 83.9 | Confident | 83.7 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 149.9 | -179.5 | -51.3 | -174.6 | 71.3 | 100.1 | -1.3 | 111.4 | R197 Y199 Q200 R205 | R197-R207 HydrophobicContact CB-CB 3.6Å; R197-R207 PolarHBondContact NE-O 3.21Å; R197-R207 PolarHBondContact NH2-O 3.44Å; R197-R207 VanDerWaalsContact O-CZ 3.31Å; R197-R207 PolarHBondContact O-NE 2.66Å; R197-R207 PolarHBondContact O-NH2 3.18Å; Y199-R207 CarbonylContact O-C 3.35Å; Y199-R207 VanDerWaalsContact O-CA 3.24Å; Y199-R207 WeakPolarHBondContact O-CA 3.37Å; Q200-R207 HydrophobicContact CB-CG 4.45Å; Q200-R207 HydrophobicContact CG-CG 4.26Å; R205-R207 PolarHBondContact O-N 3.43Å |
| 208 | F | 81.8 | Confident | 83.9 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 10% | 0.101 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.7 | -179.3 | -59.2 | -84.1 | 0 | 0 | 0 | 110.1 | R197 Y199 C201 V206 E210 T213 L214 H217 | R197-F208 CarbonylContact C-O 3.59Å; R197-F208 WeakPolarHBondContact CA-O 3.48Å; Y199-F208 WeakPolarHBondContact CB-O 3.35Å; Y199-F208 PolarHBondContact N-O 3.41Å; Y199-F208 VanDerWaalsContact N-O 3.17Å; Y199-F208 PolarHBondContact O-N 3.48Å; C201-F208 HydrophobicContact CB-CE2 4.35Å; V206-F208 HydrophobicContact CB-CE2 4Å; V206-F208 HydrophobicContact CB-CZ 4.04Å; V206-F208 HydrophobicContact CG1-CE1 4.03Å; V206-F208 HydrophobicContact CG1-CE2 3.75Å; V206-F208 HydrophobicContact CG1-CZ 3.44Å; V206-F208 VanDerWaalsContact CG1-CZ 3.44Å; V206-F208 WeakPolarHBondContact O-CE2 3.27Å; F208-E210 VanDerWaalsContact C-N 3.35Å; F208-T213 HydrophobicContact CD1-CG2 3.58Å; F208-T213 HydrophobicContact CE1-CG2 4.11Å; F208-T213 HydrophobicContact CG-CG2 4.39Å; F208-L214 HydrophobicContact CB-CB 4.22Å; F208-L214 HydrophobicContact CD2-CB 3.76Å; F208-L214 HydrophobicContact CD2-CD1 3.73Å; F208-L214 HydrophobicContact CD2-CG 4.34Å; F208-L214 HydrophobicContact CE2-CB 4.45Å; F208-L214 HydrophobicContact CE2-CD1 3.88Å; F208-L214 HydrophobicContact CG-CB 4.13Å; F208-H217 HydrophobicContact CE1-CB 4.09Å; F208-H217 HydrophobicContact CE2-CB 4.13Å; F208-H217 AromaticContact CE2-CD2 3.76Å; F208-H217 AromaticContact CE2-CG 3.84Å; F208-H217 HydrophobicContact CZ-CB 3.58Å; F208-H217 AromaticContact CZ-CD2 3.69Å; F208-H217 AromaticContact CZ-CG 3.31Å; F208-H217 AromaticContact CZ-ND1 3.6Å |
| 209 | T | 81.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -78.8 | -21.4 | 175 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | R191 R197 Y199 | R191-T209 PolarHBondContact NH1-O 2.89Å; R197-T209 HydrophobicContact CG-CG2 3.88Å; Y199-T209 VanDerWaalsContact CE2-O 3.28Å; Y199-T209 WeakPolarHBondContact CE2-O 3.28Å |
| 210 | E | 82.7 | Confident | 84.5 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 33% | 0.327 | 37% | 0.366 | S | S | . | . | trans | -128.7 | 142.7 | -177 | -63.9 | 173.5 | -171.5 | 0 | 0 | 113.6 | H188 Y199 F208 N212 T213 L214 | H188-E210 IonicContact CD2-OE1 3.99Å; H188-E210 WeakPolarHBondContact CE1-CG 3.49Å; H188-E210 IonicContact CE1-OE1 3.69Å; H188-E210 IonicContact NE2-OE1 2.79Å; H188-E210 PolarHBondContact NE2-OE1 2.8Å; H188-E210 VanDerWaalsContact NE2-OE1 3.15Å; Y199-E210 VanDerWaalsContact CD2-CA 3.47Å; Y199-E210 VanDerWaalsContact CE2-C 3.48Å; F208-E210 VanDerWaalsContact C-N 3.35Å; E210-N212 PolarHBondContact O-N 3.41Å; E210-T213 PolarHBondContact O-N 2.68Å; E210-T213 PolarHBondContact OE2-OG1 2.95Å; E210-L214 PolarHBondContact O-N 2.93Å; E210-L214 VanDerWaalsContact O-N 3.15Å | ||
| 211 | A | 83.4 | Confident | 84.6 | Confident | 27 Ų | 27 | 81.8 Ų | 81.8 | 22% | 0.223 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y199 L214 R215 L232 | Y199-A211 HydrophobicContact CD1-CB 4.33Å; Y199-A211 VanDerWaalsContact CD2-N 3.29Å; Y199-A211 HydrophobicContact CE1-CB 4.04Å; Y199-A211 HydrophobicContact CE2-CB 4.24Å; A211-L214 WeakPolarHBondContact O-CB 3.5Å; A211-L214 PolarHBondContact O-N 2.89Å; A211-R215 WeakPolarHBondContact O-CB 3.27Å; A211-R215 PolarHBondContact O-N 3.32Å; A211-L232 HydrophobicContact CB-CD1 4.4Å; A211-L232 HydrophobicContact CB-CD2 3.72Å |
| 212 | N | 85.4 | Confident | 84.6 | Confident | 110 Ų | 110 | 83.5 Ų | 83.5 | 59% | 0.588 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70 | -39.1 | -179.9 | -163.7 | 28.1 | 0 | 0 | 0 | 111.5 | E210 R215 R216 | E210-N212 PolarHBondContact O-N 3.41Å; N212-R215 PolarHBondContact O-N 2.87Å; N212-R216 WeakPolarHBondContact O-CB 3.38Å; N212-R216 PolarHBondContact O-N 2.8Å |
| 213 | T | 87.3 | Confident | 84.5 | Confident | 36 Ų | 36 | 83.4 Ų | 83.4 | 22% | 0.221 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 174.6 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | F208 E210 R216 H217 | F208-T213 HydrophobicContact CD1-CG2 3.58Å; F208-T213 HydrophobicContact CE1-CG2 4.11Å; F208-T213 HydrophobicContact CG-CG2 4.39Å; E210-T213 PolarHBondContact O-N 2.68Å; E210-T213 PolarHBondContact OE2-OG1 2.95Å; T213-R216 PolarHBondContact O-N 3.32Å; T213-H217 WeakPolarHBondContact O-CB 3.42Å; T213-H217 PolarHBondContact O-N 2.9Å |
| 214 | L | 87.2 | Confident | 84 | Confident | 2 Ų | 2 | 89 Ų | 89 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 170.4 | 166 | 68.1 | 0 | 0 | 0 | 112 | C201 F208 E210 A211 R216 H217 Y218 V230 L232 | C201-L214 HydrophobicContact CB-CD1 3.83Å; F208-L214 HydrophobicContact CB-CB 4.22Å; F208-L214 HydrophobicContact CD2-CB 3.76Å; F208-L214 HydrophobicContact CD2-CD1 3.73Å; F208-L214 HydrophobicContact CD2-CG 4.34Å; F208-L214 HydrophobicContact CE2-CB 4.45Å; F208-L214 HydrophobicContact CE2-CD1 3.88Å; F208-L214 HydrophobicContact CG-CB 4.13Å; E210-L214 PolarHBondContact O-N 2.93Å; E210-L214 VanDerWaalsContact O-N 3.15Å; A211-L214 WeakPolarHBondContact O-CB 3.5Å; A211-L214 PolarHBondContact O-N 2.89Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 3.17Å; L214-H217 WeakPolarHBondContact O-CB 3.47Å; L214-H217 PolarHBondContact O-N 3.07Å; L214-Y218 WeakPolarHBondContact O-CB 3.26Å; L214-Y218 PolarHBondContact O-N 2.94Å; L214-V230 HydrophobicContact CD1-CG1 4.46Å; L214-V230 HydrophobicContact CD2-CB 4.06Å; L214-V230 HydrophobicContact CD2-CG1 3.31Å; L214-V230 HydrophobicContact CD2-CG2 4.38Å; L214-V230 HydrophobicContact CG-CG1 4.27Å; L214-L232 HydrophobicContact CD2-CD2 4.05Å |
| 215 | R | 84.6 | Confident | 82.9 | Confident | 167 Ų | 167 | 90 Ų | 90 | 63% | 0.63 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | -179.8 | -175.2 | -179.9 | -69.4 | 163.1 | -2.5 | 111.6 | A211 N212 Y218 K219 | A211-R215 WeakPolarHBondContact O-CB 3.27Å; A211-R215 PolarHBondContact O-N 3.32Å; N212-R215 PolarHBondContact O-N 2.87Å; R215-Y218 PolarHBondContact O-N 2.84Å; R215-K219 WeakPolarHBondContact O-CB 3.41Å; R215-K219 PolarHBondContact O-N 3.46Å |
| 216 | R | 87.3 | Confident | 81.8 | Confident | 145 Ų | 145 | 86.1 Ų | 86.1 | 55% | 0.547 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 175.3 | -178.6 | 175.8 | 62.7 | -168.9 | -4.1 | 111.8 | N212 T213 L214 R220 | N212-R216 WeakPolarHBondContact O-CB 3.38Å; N212-R216 PolarHBondContact O-N 2.8Å; T213-R216 PolarHBondContact O-N 3.32Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 3.17Å; R216-R220 WeakPolarHBondContact O-CB 3.4Å; R216-R220 PolarHBondContact O-N 3.19Å |
| 217 | H | 88.8 | Confident | 80.9 | Confident | 38 Ų | 38 | 86.6 Ų | 86.6 | 18% | 0.176 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.3 | -49 | 174.3 | 164.2 | 87.2 | 0 | 0 | 0 | 110.8 | C204 F208 T213 L214 R220 K221 H222 | C204-H217 PolarHBondContact SG-NE2 3.45Å; F208-H217 HydrophobicContact CE1-CB 4.09Å; F208-H217 HydrophobicContact CE2-CB 4.13Å; F208-H217 AromaticContact CE2-CD2 3.76Å; F208-H217 AromaticContact CE2-CG 3.84Å; F208-H217 HydrophobicContact CZ-CB 3.58Å; F208-H217 AromaticContact CZ-CD2 3.69Å; F208-H217 AromaticContact CZ-CG 3.31Å; F208-H217 AromaticContact CZ-ND1 3.6Å; T213-H217 WeakPolarHBondContact O-CB 3.42Å; T213-H217 PolarHBondContact O-N 2.9Å; L214-H217 WeakPolarHBondContact O-CB 3.47Å; L214-H217 PolarHBondContact O-N 3.07Å; H217-R220 PolarHBondContact O-N 3.44Å; H217-K221 WeakPolarHBondContact O-CB 3.36Å; H217-K221 PolarHBondContact O-N 3.03Å; H217-H222 AromaticContact NE2-NE2 3.74Å |
| 218 | Y | 84.1 | Confident | 79.4 | Confident | 16 Ų | 16 | 87.1 Ų | 87.1 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.1 | -49.6 | -179.3 | -168.8 | -102.3 | 0 | 0 | 0 | 111.7 | P202 L214 R215 R220 K221 H222 L225 | P202-Y218 HydrophobicContact CG-CE2 4.21Å; L214-Y218 WeakPolarHBondContact O-CB 3.26Å; L214-Y218 PolarHBondContact O-N 2.94Å; R215-Y218 PolarHBondContact O-N 2.84Å; Y218-R220 PolarHBondContact O-N 2.85Å; Y218-K221 PolarHBondContact O-N 3.35Å; Y218-H222 HydrophobicContact CD2-CB 3.94Å; Y218-H222 AromaticContact CD2-CD2 3.78Å; Y218-H222 HydrophobicContact CE2-CB 3.95Å; Y218-H222 HydrophobicContact CG-CB 4.39Å; Y218-H222 CarbonylContact O-C 3.28Å; Y218-H222 VanDerWaalsContact O-C 3.28Å; Y218-H222 VanDerWaalsContact O-CA 3.27Å; Y218-H222 WeakPolarHBondContact O-CA 3.35Å; Y218-H222 WeakPolarHBondContact O-CB 3.43Å; Y218-H222 PolarHBondContact O-N 2.88Å; Y218-L225 HydrophobicContact CE1-CB 4.29Å; Y218-L225 WeakPolarHBondContact CE1-O 3.38Å; Y218-L225 HydrophobicContact CE2-CB 4.43Å; Y218-L225 WeakPolarHBondContact OH-CB 3.32Å; Y218-L225 PolarHBondContact OH-O 3.49Å |
| 219 | K | 85.1 | Confident | 78.1 | Confident | 160 Ų | 160 | 91.8 Ų | 91.8 | 70% | 0.696 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.2 | -32.3 | 177.4 | -171.9 | 175.5 | -179.1 | 178.9 | 0 | 113.3 | R215 | R215-K219 WeakPolarHBondContact O-CB 3.41Å; R215-K219 PolarHBondContact O-N 3.46Å |
| 220 | R | 87.7 | Confident | 76.9 | Confident | 182 Ų | 182 | 91 Ų | 91 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -87.7 | -38.3 | -176.8 | -172.4 | -177.2 | -62.8 | 175.3 | -2.7 | 113.4 | R216 H217 Y218 | R216-R220 WeakPolarHBondContact O-CB 3.4Å; R216-R220 PolarHBondContact O-N 3.19Å; H217-R220 PolarHBondContact O-N 3.44Å; Y218-R220 PolarHBondContact O-N 2.85Å |
| 221 | K | 85.1 | Confident | 75.6 | Confident | 142 Ų | 142 | 99 Ų | 99 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -101.8 | -16.6 | -173.1 | -68.1 | -65.6 | -170.6 | 176.5 | 0 | 113.3 | H217 Y218 P223 | H217-K221 WeakPolarHBondContact O-CB 3.36Å; H217-K221 PolarHBondContact O-N 3.03Å; Y218-K221 PolarHBondContact O-N 3.35Å; K221-P223 VanDerWaalsContact C-CD 3.45Å |
| 222 | H | 84.7 | Confident | 74.3 | Confident | 36 Ų | 36 | 101.6 Ų | 101.6 | 17% | 0.167 | 50% | 0.495 | C | S | . | . | trans | -133.3 | 59 | 178.4 | -54.1 | -61.1 | 0 | 0 | 0 | 110.9 | C201 S203 C204 H217 Y218 E224 L225 | C201-H222 VanDerWaalsContact SG-CD2 3.58Å; S203-H222 VanDerWaalsContact CB-CE1 3.49Å; S203-H222 WeakPolarHBondContact CB-CE1 3.24Å; C204-H222 PolarHBondContact SG-NE2 3.18Å; H217-H222 AromaticContact NE2-NE2 3.74Å; Y218-H222 HydrophobicContact CD2-CB 3.94Å; Y218-H222 AromaticContact CD2-CD2 3.78Å; Y218-H222 HydrophobicContact CE2-CB 3.95Å; Y218-H222 HydrophobicContact CG-CB 4.39Å; Y218-H222 CarbonylContact O-C 3.28Å; Y218-H222 VanDerWaalsContact O-C 3.28Å; Y218-H222 VanDerWaalsContact O-CA 3.27Å; Y218-H222 WeakPolarHBondContact O-CA 3.35Å; Y218-H222 WeakPolarHBondContact O-CB 3.43Å; Y218-H222 PolarHBondContact O-N 2.88Å; H222-E224 PolarHBondContact O-N 3.46Å; H222-L225 HydrophobicContact CB-CD1 4.4Å; H222-L225 PolarHBondContact O-N 2.97Å | ||
| 223 | P | 77 | Confident | 72.4 | Confident | 74 Ų | 74 | 100.6 Ų | 100.6 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -63.4 | -26.7 | 179.9 | 27.6 | -34.4 | 0 | 0 | 0 | 113.1 | K221 L225 V226 | K221-P223 VanDerWaalsContact C-CD 3.45Å; P223-L225 VanDerWaalsContact C-N 3.29Å; P223-L225 PolarHBondContact O-N 3.1Å; P223-V226 VanDerWaalsContact O-CG2 3.22Å; P223-V226 WeakPolarHBondContact O-CG2 3.41Å |
| 224 | E | 71.9 | Confident | 70.7 | Confident | 172 Ų | 172 | 104.2 Ų | 104.2 | 80% | 0.804 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -75.9 | -10.1 | -179.5 | -57.7 | -55.5 | 127.8 | 0 | 0 | 114.2 | H222 | H222-E224 PolarHBondContact O-N 3.46Š|
| 225 | L | 64.4 | Low | 69.1 | Low | 71 Ų | 71 | 106 Ų | 106 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -113.9 | 21.1 | -174.9 | -59.2 | 174.4 | 0 | 0 | 0 | 113.1 | S203 Y218 H222 P223 G227 M228 | S203-L225 WeakPolarHBondContact OG-CD1 3.39Å; Y218-L225 HydrophobicContact CE1-CB 4.29Å; Y218-L225 WeakPolarHBondContact CE1-O 3.38Å; Y218-L225 HydrophobicContact CE2-CB 4.43Å; Y218-L225 WeakPolarHBondContact OH-CB 3.32Å; Y218-L225 PolarHBondContact OH-O 3.49Å; H222-L225 HydrophobicContact CB-CD1 4.4Å; H222-L225 PolarHBondContact O-N 2.97Å; P223-L225 VanDerWaalsContact C-N 3.29Å; P223-L225 PolarHBondContact O-N 3.1Å; L225-G227 PolarHBondContact O-N 3.21Å; L225-M228 PolarHBondContact O-N 2.99Å |
| 226 | V | 60.1 | Low | 67.4 | Low | 113 Ų | 113 | 104.6 Ų | 104.6 | 69% | 0.685 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 108.1 | -179.4 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | P223 | P223-V226 VanDerWaalsContact O-CG2 3.22Å; P223-V226 WeakPolarHBondContact O-CG2 3.41Å |
| 227 | G | 63.8 | Low | 65.7 | Low | 72 Ų | 72 | 101.5 Ų | 101.5 | 74% | 0.742 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.7 | -15.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L225 | L225-G227 PolarHBondContact O-N 3.21Š|
| 228 | M | 52.8 | Low | 64.1 | Low | 123 Ų | 123 | 110.1 Ų | 110.1 | 61% | 0.606 | 57% | 0.567 | S | S | * | * | trans | -75.4 | 131.5 | 179.2 | -71.9 | -168.3 | 157.9 | 0 | 0 | 112.4 | L225 V230 | L225-M228 PolarHBondContact O-N 2.99Å; M228-V230 PolarHBondContact O-N 2.95Å; M228-V230 VanDerWaalsContact O-N 3.1Å | ||
| 229 | P | 54.8 | Low | 62.7 | Low | 120 Ų | 120 | 110.3 Ų | 110.3 | 78% | 0.779 | 57% | 0.57 | S | S | * | * | trans | -69 | 111.2 | 177.2 | 27.4 | -32 | 0 | 0 | 0 | 109 | R231 | P229-R231 PolarHBondContact O-N 2.96Š| ||
| 230 | V | 57.4 | Low | 61.3 | Low | 36 Ų | 36 | 111.3 Ų | 111.3 | 22% | 0.218 | 58% | 0.577 | C | S | . | * | trans | -68.3 | 120.5 | 171.8 | -167.6 | 0 | 0 | 0 | 0 | 107.6 | L214 M228 L232 | L214-V230 HydrophobicContact CD1-CG1 4.46Å; L214-V230 HydrophobicContact CD2-CB 4.06Å; L214-V230 HydrophobicContact CD2-CG1 3.31Å; L214-V230 HydrophobicContact CD2-CG2 4.38Å; L214-V230 HydrophobicContact CG-CG1 4.27Å; M228-V230 PolarHBondContact O-N 2.95Å; M228-V230 VanDerWaalsContact O-N 3.1Å; V230-L232 PolarHBondContact O-N 3.39Å | ||
| 231 | R | 55.2 | Low | 59.8 | Low | 238 Ų | 238 | 104.8 Ų | 104.8 | 90% | 0.898 | 56% | 0.558 | S | S | * | * | trans | -65 | 103.1 | 174.2 | -71.1 | -165.5 | 177.4 | -158.3 | 1 | 108.5 | P229 | P229-R231 PolarHBondContact O-N 2.96Š| ||
| 232 | L | 55.8 | Low | 58.3 | Low | 80 Ų | 80 | 105.6 Ų | 105.6 | 42% | 0.419 | 57% | 0.569 | S | S | . | * | trans | -89.5 | 102.6 | 173.5 | -60.8 | 166.4 | 0 | 0 | 0 | 106.1 | Y199 A211 L214 V230 P234 | Y199-L232 HydrophobicContact CD1-CB 4.21Å; Y199-L232 HydrophobicContact CD1-CD2 3.19Å; Y199-L232 HydrophobicContact CD1-CG 4.27Å; Y199-L232 HydrophobicContact CE1-CB 3.98Å; Y199-L232 HydrophobicContact CE1-CD2 3.47Å; Y199-L232 VanDerWaalsContact CE1-CD2 3.47Å; Y199-L232 HydrophobicContact CE1-CG 4.26Å; Y199-L232 HydrophobicContact CG-CD2 4.15Å; A211-L232 HydrophobicContact CB-CD1 4.4Å; A211-L232 HydrophobicContact CB-CD2 3.72Å; L214-L232 HydrophobicContact CD2-CD2 4.05Å; V230-L232 PolarHBondContact O-N 3.39Å; L232-P234 VanDerWaalsContact O-CD 3.27Å; L232-P234 WeakPolarHBondContact O-CD 3.27Å | ||
| 233 | C | 45.9 | Very low | 56.3 | Low | 90 Ų | 90 | 110.2 Ų | 110.2 | 61% | 0.608 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 116.3 | 167 | -166.3 | 0 | 0 | 0 | 0 | 106.9 | P235 | C233-P235 VanDerWaalsContact O-CD 3.26Å; C233-P235 WeakPolarHBondContact O-CD 3.45Å |
| 234 | P | 52.1 | Low | 54.2 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 72% | 0.721 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 122.3 | -178.1 | 26.8 | -30 | 0 | 0 | 0 | 109.4 | L232 | L232-P234 VanDerWaalsContact O-CD 3.27Å; L232-P234 WeakPolarHBondContact O-CD 3.27Å |
| 235 | P | 52.3 | Low | 52.5 | Low | 39 Ų | 39 | 111 Ų | 111 | 25% | 0.253 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 127.9 | 169.3 | 31.2 | -32 | 0 | 0 | 0 | 109.3 | R191 P198 C233 | R191-P235 VanDerWaalsContact CZ-CG 3.41Å; P198-P235 HydrophobicContact CG-CG 4.19Å; C233-P235 VanDerWaalsContact O-CD 3.26Å; C233-P235 WeakPolarHBondContact O-CD 3.45Å |
| 236 | N | 49.3 | Very low | 51.5 | Low | 139 Ų | 139 | 114.1 Ų | 114.1 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | trans | -104.1 | 125.6 | 165.3 | -156.7 | 14.1 | 0 | 0 | 0 | 106.9 | R238 | N236-R238 PolarHBondContact OD1-N 2.79Š| ||
| 237 | P | 52.3 | Low | 50.7 | Low | 79 Ų | 79 | 115.7 Ų | 115.7 | 51% | 0.513 | 61% | 0.612 | S | S | . | * | -128.3 | 148.1 | 81.3 | 13.8 | 7.1 | 0 | 0 | 0 | 112.2 | P239 | P237-P239 WeakPolarHBondContact O-CD 3.22Š| |||
| 238 | R | 54.4 | Low | 49.8 | Very low | 220 Ų | 220 | 120.3 Ų | 120.3 | 83% | 0.83 | 62% | 0.619 | S | S | * | * | trans | -84.6 | 102.3 | 169.1 | -163 | 179.8 | -162.6 | -129.5 | 5.1 | 107.2 | N236 Q240 | N236-R238 PolarHBondContact OD1-N 2.79Å; R238-Q240 PolarHBondContact O-N 3.31Å | ||
| 239 | P | 55.8 | Low | 49.2 | Very low | 20 Ų | 20 | 121.3 Ų | 121.3 | 13% | 0.13 | 63% | 0.627 | C | S | . | * | P | Polyproline II helix | trans | -66.2 | 125.4 | 177.7 | 25.6 | -31.4 | 0 | 0 | 0 | 108.6 | A183 L186 A187 P237 | A183-P239 HydrophobicContact CB-CG 3.91Å; A183-P239 WeakPolarHBondContact O-CG 3.1Å; L186-P239 HydrophobicContact CB-CG 3.91Å; L186-P239 HydrophobicContact CD2-CB 3.4Å; L186-P239 HydrophobicContact CD2-CG 3.73Å; L186-P239 HydrophobicContact CG-CB 4.01Å; L186-P239 HydrophobicContact CG-CG 3.9Å; A187-P239 HydrophobicContact CB-CG 4.41Å; P237-P239 WeakPolarHBondContact O-CD 3.22Å |
| 240 | Q | 55.7 | Low | 49.2 | Very low | 180 Ų | 180 | 123.6 Ų | 123.6 | 84% | 0.841 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 133.2 | 174.7 | -71.9 | -168.6 | -43.5 | 0 | 0 | 108.8 | R238 | R238-Q240 PolarHBondContact O-N 3.31Š|
| 241 | P | 55.7 | Low | 48.4 | Very low | 45 Ų | 45 | 129.9 Ų | 129.9 | 29% | 0.292 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 142.7 | 163.8 | -8.2 | 20.2 | 0 | 0 | 0 | 109.4 | F171 W243 | F171-P241 HydrophobicContact CD1-CB 4.46Å; F171-P241 HydrophobicContact CD1-CG 4.46Å; F171-P241 HydrophobicContact CE1-CB 3.86Å; F171-P241 HydrophobicContact CE1-CG 3.46Å; F171-P241 VanDerWaalsContact CE1-CG 3.46Å; F171-P241 HydrophobicContact CZ-CB 4.22Å; F171-P241 HydrophobicContact CZ-CG 3.72Å; P241-W243 VanDerWaalsContact C-N 3.31Å; P241-W243 HydrophobicContact CB-CG 4.22Å; P241-W243 VanDerWaalsContact CG-NE1 3.32Å; P241-W243 PolarHBondContact O-N 3.38Å |
| 242 | L | 52.3 | Low | 47.8 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 84% | 0.838 | 65% | 0.646 | S | S | * | * | trans | -92.1 | 75.9 | 160.2 | -172.1 | 76.1 | 0 | 0 | 0 | 106.3 | ||||
| 243 | W | 44.3 | Very low | 46.8 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 50% | 0.504 | 67% | 0.666 | S | S | . | * | trans | -117.4 | 129.8 | 151.9 | 49.4 | -85 | 0 | 0 | 0 | 104.9 | P241 D245 | P241-W243 VanDerWaalsContact C-N 3.31Å; P241-W243 HydrophobicContact CB-CG 4.22Å; P241-W243 VanDerWaalsContact CG-NE1 3.32Å; P241-W243 PolarHBondContact O-N 3.38Å; W243-D245 HydrophobicContact CE3-CB 4.19Å; W243-D245 HydrophobicContact CH2-CB 4.49Å; W243-D245 VanDerWaalsContact CH2-CG 3.48Å; W243-D245 WeakPolarHBondContact CH2-OD1 3.49Å; W243-D245 WeakPolarHBondContact CZ2-OD1 3.21Å; W243-D245 HydrophobicContact CZ3-CB 3.88Å; W243-D245 WeakPolarHBondContact CZ3-OD1 3.04Å; W243-D245 PolarHBondContact O-N 3.31Å; W243-D245 VanDerWaalsContact O-N 3.09Å | ||
| 244 | D | 33.1 | Very low | 46.6 | Very low | 141 Ų | 141 | 125.2 Ų | 125.2 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | trans | -58.3 | 111.6 | 165.3 | -57.5 | -76.7 | 0 | 0 | 0 | 106 | D246 | D244-D246 PolarHBondContact O-N 2.87Š| ||
| 245 | D | 36.3 | Very low | 45.9 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | trans | -69.3 | 83.5 | 172.1 | -77.3 | -101.5 | 0 | 0 | 0 | 107.8 | W243 | W243-D245 HydrophobicContact CE3-CB 4.19Å; W243-D245 HydrophobicContact CH2-CB 4.49Å; W243-D245 VanDerWaalsContact CH2-CG 3.48Å; W243-D245 WeakPolarHBondContact CH2-OD1 3.49Å; W243-D245 WeakPolarHBondContact CZ2-OD1 3.21Å; W243-D245 HydrophobicContact CZ3-CB 3.88Å; W243-D245 WeakPolarHBondContact CZ3-OD1 3.04Å; W243-D245 PolarHBondContact O-N 3.31Å; W243-D245 VanDerWaalsContact O-N 3.09Å | ||
| 246 | D | 42.4 | Very low | 45.2 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | -120.6 | 142.4 | 156.8 | -83.4 | -64.5 | 0 | 0 | 0 | 108.9 | D244 | D244-D246 PolarHBondContact O-N 2.87Š| ||
| 247 | D | 42.6 | Very low | 44.5 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | 86.2 | 79.2 | 175.8 | -62.5 | -74.8 | 0 | 0 | 0 | 117.9 | ||||
| 248 | D | 45.3 | Very low | 43.9 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 90% | 0.898 | 70% | 0.703 | S | S | * | * | trans | -70.7 | 97.1 | 135.7 | -141.5 | -74.7 | 0 | 0 | 0 | 107.1 | ||||
| 249 | D | 40.7 | Very low | 43.1 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | trans | -154.7 | 129.9 | 153 | -108.6 | -54.9 | 0 | 0 | 0 | 111.1 | ||||
| 250 | E | 55.4 | Low | 42.2 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | trans | -57.1 | 130.3 | 160.3 | -87.9 | -104.3 | 103.9 | 0 | 0 | 108.8 | ||||
| 251 | E | 40.8 | Very low | 41.3 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 176.5 | 129.1 | 132.6 | -89.5 | -46.7 | 118 | 0 | 0 | 107.3 | ||||
| 252 | G | 41.3 | Very low | 40.4 | Very low | 69 Ų | 69 | 141.7 Ų | 141.7 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -77 | 135.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 253 | V | 34.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | -155.5 | 155.9 | 151.8 | -118.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 254 | P | 42.5 | Very low | 39.8 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | trans | -88.5 | 147.8 | -159 | 38.7 | -38.6 | 0 | 0 | 0 | 112.3 | A256 | P254-A256 PolarHBondContact O-N 3.27Š| ||
| 255 | V | 37.2 | Very low | 40 | Very low | 153 Ų | 153 | 141 Ų | 141 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | trans | -89.9 | 97.1 | 167.6 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 256 | A | 37.1 | Very low | 40 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -116.1 | 147.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P254 | P254-A256 PolarHBondContact O-N 3.27Š| ||
| 257 | E | 34.8 | Very low | 39.6 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 71.7 | 144.6 | 173.8 | -68.6 | -159.5 | 96 | 0 | 0 | 116.8 | ||||
| 258 | R | 40.4 | Very low | 39.1 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | cis | -177.3 | 121.8 | -11.7 | 169 | -177.8 | -166.3 | 131.9 | -1.9 | 102.7 | Q260 | R258-Q260 HydrophobicContact CG-CG 4.08Å; R258-Q260 VanDerWaalsContact NE-CD 3.29Å | ||
| 259 | V | 36.9 | Very low | 39.4 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -117.9 | 103.4 | 159.3 | -177 | 0 | 0 | 0 | 0 | 105.8 | E261 | V259-E261 PolarHBondContact O-N 3.42Š| ||
| 260 | Q | 36.4 | Very low | 39 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 61% | 0.607 | 78% | 0.781 | S | S | * | * | trans | -67.8 | 114.7 | 161.9 | -72.9 | 168.7 | -56.6 | 0 | 0 | 106.5 | R258 | R258-Q260 HydrophobicContact CG-CG 4.08Å; R258-Q260 VanDerWaalsContact NE-CD 3.29Å | ||
| 261 | E | 37.3 | Very low | 38 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -92.6 | 103.4 | 156.4 | -82.8 | -114.7 | 116.6 | 0 | 0 | 106.7 | V259 | V259-E261 PolarHBondContact O-N 3.42Š| ||
| 262 | E | 35.7 | Very low | 38.2 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -65 | 128.6 | 164.2 | 52.2 | -153.9 | 76 | 0 | 0 | 110.8 | ||||
| 263 | S | 39.5 | Very low | 37.9 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -88.3 | 137 | 177.4 | -173.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 264 | P | 45.5 | Very low | 38.7 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -106.4 | 107.3 | 160.9 | 32 | -23.1 | 0 | 0 | 0 | 110.6 | ||||
| 265 | E | 36.5 | Very low | 38.1 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -73 | 138.9 | 158.6 | -70.8 | -169.6 | 98.5 | 0 | 0 | 109.9 | ||||
| 266 | G | 36.2 | Very low | 37.8 | Very low | 73 Ų | 73 | 134.6 Ų | 134.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -76.3 | 170.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 267 | K | 34.8 | Very low | 37.7 | Very low | 216 Ų | 216 | 136.5 Ų | 136.5 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -156 | 128.7 | 158.9 | -106.5 | 163.1 | -178.4 | 179.4 | 0 | 108.9 | ||||
| 268 | G | 31.2 | Very low | 37.5 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -137 | 178.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 269 | P | 51.5 | Low | 37.1 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | cis | -127.4 | 157 | -30.1 | 36.3 | -22.1 | 0 | 0 | 0 | 111.3 | ||||
| 270 | A | 32.7 | Very low | 36.9 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -155.1 | 102.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 271 | S | 34.8 | Very low | 36.8 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -70.3 | 157.9 | 150.4 | -66.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 272 | P | 45.3 | Very low | 36.4 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -142 | 159.3 | 41 | 36.3 | -14.4 | 0 | 0 | 0 | 118.1 | ||||
| 273 | L | 34.9 | Very low | 36.3 | Very low | 162 Ų | 162 | 119.5 Ų | 119.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -62.9 | 176.3 | 159.4 | -62.4 | 175.8 | 0 | 0 | 0 | 110.8 | ||||
| 274 | P | 50.6 | Low | 35.9 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -142.4 | 171.6 | 14 | 38.2 | -17.7 | 0 | 0 | 0 | 116.7 | ||||
| 275 | G | 31.3 | Very low | 35.3 | Very low | 64 Ų | 64 | 117.4 Ų | 117.4 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | trans | 166.6 | 96.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 276 | F | 29.5 | Very low | 35.4 | Very low | 193 Ų | 193 | 120.1 Ų | 120.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 61.2 | 123.5 | 138.6 | -70.6 | -87.8 | 0 | 0 | 0 | 123.8 | ||||
| 277 | T | 35.1 | Very low | 35.3 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | 78.3 | 111.6 | 133.6 | 62.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 278 | A | 32 | Very low | 35.5 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | 73.4 | 140.9 | 114.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 279 | G | 30.7 | Very low | 35.6 | Very low | 67 Ų | 67 | 119.3 Ų | 119.3 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 96.5 | 100.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 280 | S | 32.4 | Very low | 34.8 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | 71.4 | 125.2 | 78.1 | -66 | 0 | 0 | 0 | 0 | 115 | |||||
| 281 | S | 34.4 | Very low | 34.9 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 75.5 | 113.5 | 146.3 | -48.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 282 | A | 30.8 | Very low | 35 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | 82.2 | 150.2 | 76 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 283 | A | 32 | Very low | 34.7 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | 83.5 | 107.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 284 | A | 31.4 | Very low | 35.2 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | 89.3 | 130.2 | 75.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 285 | G | 34.2 | Very low | 34.6 | Very low | 78 Ų | 78 | 123.7 Ų | 123.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 170.2 | 80.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 286 | R | 37.1 | Very low | 34.8 | Very low | 245 Ų | 245 | 126.5 Ų | 126.5 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -55.8 | 147.3 | 160.2 | -80.5 | 169.1 | 140.7 | -169.9 | -5.3 | 110.2 | ||||
| 287 | G | 33.7 | Very low | 35.1 | Very low | 78 Ų | 78 | 121 Ų | 121 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -166.3 | 101.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 288 | Q | 39.3 | Very low | 35.3 | Very low | 181 Ų | 181 | 122 Ų | 122 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -80.9 | 162.2 | 173.8 | -69.4 | 170.1 | 16.1 | 0 | 0 | 111.1 | ||||
| 289 | G | 34.2 | Very low | 35.5 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 98.9 | 127.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 290 | G | 33.9 | Very low | 35.9 | Very low | 62 Ų | 62 | 124.9 Ų | 124.9 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | cis | 157.1 | 165.3 | 6.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 291 | Q | 35.8 | Very low | 36 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 64.4 | 110.6 | 151.6 | 41.7 | -167.2 | 4.3 | 0 | 0 | 119.3 | ||||
| 292 | D | 35.7 | Very low | 36.1 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | 56.6 | 118.1 | 119.5 | -44.8 | -32.3 | 0 | 0 | 0 | 118.9 | |||||
| 293 | T | 39.5 | Very low | 36.4 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | -171.2 | 127.6 | 119.7 | 16.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 294 | L | 44.6 | Very low | 36.5 | Very low | 169 Ų | 169 | 131 Ų | 131 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -68.4 | 136.1 | 165.8 | -70.6 | 153.7 | 0 | 0 | 0 | 110.2 | ||||
| 295 | I | 37.9 | Very low | 36.7 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -146.6 | 116.3 | 147.9 | -42.2 | 176.2 | 0 | 0 | 0 | 109.4 | ||||
| 296 | S | 37 | Very low | 37.1 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -69.9 | 147.5 | 164 | -69.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 297 | G | 34.8 | Very low | 37.4 | Very low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -156.9 | 106.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 298 | D | 39.5 | Very low | 37.6 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | trans | -75.7 | 151.1 | 162.2 | 82.2 | -75.5 | 0 | 0 | 0 | 109.3 | ||||
| 299 | V | 37.1 | Very low | 37.6 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -156.8 | 129.5 | 144.8 | 114.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 300 | S | 38.5 | Very low | 38.2 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 64% | 0.643 | 82% | 0.815 | S | S | * | * | trans | -89.4 | -171.6 | 174.1 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 301 | I | 34.6 | Very low | 38.7 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 82% | 0.821 | 83% | 0.828 | S | S | * | * | trans | 78.5 | 134.6 | 165.6 | 10.2 | -170.3 | 0 | 0 | 0 | 115.8 | ||||
| 302 | T | 36.3 | Very low | 39.4 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 69% | 0.687 | 82% | 0.823 | S | S | * | * | cis | -164 | 155.7 | 27.1 | 23.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 303 | E | 36.9 | Very low | 39.5 | Very low | 193 Ų | 193 | 142.7 Ų | 142.7 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | 32.5 | 143.1 | 135.6 | -45.8 | -156.5 | 128.2 | 0 | 0 | 120.8 | ||||
| 304 | G | 34.1 | Very low | 39.4 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | cis | 152.1 | 151.2 | 21 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 305 | G | 35.8 | Very low | 40.1 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | 157.7 | 90.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 306 | Q | 42.4 | Very low | 40.3 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -64.5 | 153.4 | 162.8 | -68.5 | 166.6 | -17.8 | 0 | 0 | 111.9 | ||||
| 307 | K | 43.1 | Very low | 40.5 | Very low | 215 Ų | 215 | 134.6 Ų | 134.6 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -169.3 | 142.6 | 133 | -101.5 | 161.6 | -167.8 | -168.8 | 0 | 112.5 | ||||
| 308 | Q | 38.4 | Very low | 40.8 | Very low | 192 Ų | 192 | 136 Ų | 136 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -95.4 | 148.9 | -168.4 | -58 | 171.7 | 28.3 | 0 | 0 | 112.8 | ||||
| 309 | G | 38.4 | Very low | 40.9 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 64.5 | 167.2 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 310 | P | 48.6 | Very low | 41.4 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | cis | -131.4 | 170.1 | 11.7 | 38 | -19.5 | 0 | 0 | 0 | 116.2 | ||||
| 311 | R | 43.7 | Very low | 42.6 | Very low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -84.7 | 157.2 | 158.7 | -71.8 | 177.3 | 158.5 | -135 | -2.5 | 109.7 | ||||
| 312 | P | 50.4 | Low | 43.8 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | -147.6 | 144.4 | 100.6 | 21 | 2.9 | 0 | 0 | 0 | 115.1 | |||||
| 313 | L | 38.2 | Very low | 44.2 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | 94.7 | 122.9 | 105.5 | -70.4 | 169.2 | 0 | 0 | 0 | 115 | |||||
| 314 | G | 36.6 | Very low | 45.3 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | trans | -82.2 | -146.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 315 | P | 59.7 | Low | 45.8 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 83% | 0.833 | S | S | * | * | cis | -129.6 | 174.1 | -4.5 | 40.6 | -24.9 | 0 | 0 | 0 | 112.9 | ||||
| 316 | D | 41.5 | Very low | 46.4 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -164.3 | 130.6 | 142.1 | -99 | -45.5 | 0 | 0 | 0 | 112.6 | ||||
| 317 | A | 41.2 | Very low | 46.6 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 67% | 0.669 | 83% | 0.831 | S | S | * | * | trans | -73.8 | 166.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 318 | V | 41.8 | Very low | 46.8 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 64% | 0.642 | 83% | 0.825 | S | S | * | * | 164.7 | 137.6 | 91 | 162.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 319 | Q | 41.3 | Very low | 47.3 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | 71.1 | 120.7 | 148.7 | -73 | 148.9 | 15.9 | 0 | 0 | 124.5 | ||||
| 320 | H | 47.9 | Very low | 47.9 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -67.3 | 158.4 | 141.5 | -82.5 | -92.1 | 0 | 0 | 0 | 112.4 | ||||
| 321 | P | 63.8 | Low | 47.9 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -134.3 | 172.7 | 136.8 | 30 | -11.8 | 0 | 0 | 0 | 114.3 | ||||
| 322 | P | 59.9 | Low | 48.2 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -106.8 | -175 | -136.5 | 42.3 | -39.6 | 0 | 0 | 0 | 116.6 | ||||
| 323 | A | 44.3 | Very low | 48 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -61.2 | 154.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 324 | D | 59.7 | Low | 48.9 | Very low | 241 Ų | 241 | 134.5 Ų | 134.5 | 100% | 1.289 | 82% | 0.819 | S | S | * | * | trans | -130.7 | 0 | 146.7 | -158.1 | -99.5 | 0 | 0 | 0 | 107.6 |
Retrieved 324 of 324 residues in 51.6 ms
(Link to these results)