| 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 | 37.6 | Very low | 40.4 | Very low | 248 Ų | 248 | 134.5 Ų | 134.5 | 100% | 1.222 | 81% | 0.813 | S | S | * | * | 0 | 121.4 | 0 | -69.8 | -172.1 | 176 | 0 | 0 | 108.1 | |||||
| 2 | G | 39.5 | Very low | 39.4 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 67.5 | 92.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 3 | S | 35 | Very low | 38.4 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | cis | 58.7 | 97.4 | 45 | 78.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 4 | K | 45.7 | Very low | 39.2 | Very low | 207 Ų | 207 | 135.3 Ų | 135.3 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | trans | -156.5 | 97.7 | 136.9 | -62.6 | -165 | -178.6 | 175.5 | 0 | 107 | ||||
| 5 | T | 37.3 | Very low | 38.7 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | 70.2 | 100.6 | 76.8 | -49.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 6 | L | 39.6 | Very low | 38.2 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -64.4 | 161.7 | 157.1 | -87.8 | 154.6 | 0 | 0 | 0 | 111.2 | ||||
| 7 | P | 45.1 | Very low | 38.1 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | -146.1 | 148.9 | 71.8 | 28.5 | -4.3 | 0 | 0 | 0 | 114.8 | |||||
| 8 | A | 35.1 | Very low | 37.8 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | 56.2 | 156.8 | 76.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 9 | P | 47.9 | Very low | 37.6 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -145.5 | 166 | -45.5 | 43.2 | -26.4 | 0 | 0 | 0 | 115.5 | ||||
| 10 | V | 37.6 | Very low | 37.3 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | 48 | 169.5 | 153.7 | -103 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 11 | P | 44.2 | Very low | 36.9 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -145.8 | 166.8 | 26.8 | 30.5 | -3.3 | 0 | 0 | 0 | 121.8 | ||||
| 12 | L | 27.7 | Very low | 36.6 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 59.5 | 118.4 | 138.3 | -64 | 159.9 | 0 | 0 | 0 | 121 | ||||
| 13 | H | 27.6 | Very low | 36.1 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | 66.3 | 154.7 | 69.6 | -145.5 | -123.9 | 0 | 0 | 0 | 113.4 | |||||
| 14 | P | 49.3 | Very low | 35.9 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | cis | -151.6 | 178.6 | 17 | 48.7 | -28.9 | 0 | 0 | 0 | 120.6 | ||||
| 15 | S | 31.8 | Very low | 35.1 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | 81.5 | 136.4 | 146.2 | -49.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 16 | L | 30.6 | Very low | 34.9 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | cis | -151.2 | 127.5 | 40.3 | -73.8 | 153.1 | 0 | 0 | 0 | 109.8 | ||||
| 17 | Q | 36.8 | Very low | 34.7 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | 77.2 | 115.6 | 71.1 | -87.7 | -108.8 | -27.3 | 0 | 0 | 116.9 | |||||
| 18 | L | 32.5 | Very low | 34.4 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 159.1 | 106.6 | 131.3 | -86.4 | 147.2 | 0 | 0 | 0 | 108.3 | ||||
| 19 | A | 33.9 | Very low | 34.7 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | 54.5 | 129.2 | 87.3 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 20 | N | 31.6 | Very low | 33.8 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | cis | -174.9 | 158.1 | 41 | -124.6 | -20.9 | 0 | 0 | 0 | 111.2 | ||||
| 21 | C | 29.1 | Very low | 33.4 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 66% | 0.655 | 76% | 0.762 | S | S | * | * | trans | 61.7 | 116.4 | 139.7 | -66.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 22 | S | 30 | Very low | 32.9 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | 70.2 | 115.5 | 116.8 | -48 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 23 | L | 30 | Very low | 33.1 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 49.1 | 103.4 | 120.6 | -124.5 | 119.4 | 0 | 0 | 0 | 117.7 | Q25 | L23-Q25 HydrophobicContact CD2-CG 4.05Š| |||
| 24 | I | 30.6 | Very low | 33.8 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -128.7 | 123.8 | 137.2 | -61.9 | -177.4 | 0 | 0 | 0 | 108.2 | ||||
| 25 | Q | 29.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -68 | 157.2 | 176.9 | -70.8 | 165.8 | -61 | 0 | 0 | 112.4 | L23 | L23-Q25 HydrophobicContact CD2-CG 4.05Š| ||
| 26 | T | 33.4 | Very low | 33.3 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -28.2 | 140.3 | 161.8 | 52.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 27 | S | 34.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -154.7 | 70.3 | 134.3 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 28 | S | 38.1 | Very low | 34.2 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 165.5 | 88.1 | 143.9 | -75 | 0 | 0 | 0 | 0 | 108 | L30 | S28-L30 PolarHBondContact O-N 2.94Š| ||
| 29 | G | 41.2 | Very low | 34.5 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -67.9 | 117.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 30 | L | 29.5 | Very low | 34.8 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -158.3 | 91.3 | 149.5 | -105.2 | 142.3 | 0 | 0 | 0 | 107.4 | S28 L32 | S28-L30 PolarHBondContact O-N 2.94Å; L30-L32 HydrophobicContact CD2-CG 4.48Å; L30-L32 PolarHBondContact O-N 3.39Å | ||
| 31 | Q | 29.1 | Very low | 35.2 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -66.9 | 115.6 | 163.7 | -161.2 | 90.7 | 4.8 | 0 | 0 | 106.9 | ||||
| 32 | L | 34 | Very low | 35.5 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -120.3 | 133.4 | 165.5 | -78.3 | 169.5 | 0 | 0 | 0 | 109.2 | L30 | L30-L32 HydrophobicContact CD2-CG 4.48Å; L30-L32 PolarHBondContact O-N 3.39Å | ||
| 33 | P | 31.5 | Very low | 36.1 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 144.3 | -173.6 | 28.6 | -33.2 | 0 | 0 | 0 | 111.7 | D35 | P33-D35 PolarHBondContact O-N 3.32Å; P33-D35 VanDerWaalsContact O-N 3.13Å | ||
| 34 | A | 43.7 | Very low | 37 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -71.3 | 98.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 35 | D | 32.7 | Very low | 37.6 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -157.9 | 148.2 | 157.4 | -88.9 | -46.3 | 0 | 0 | 0 | 109.6 | P33 | P33-D35 PolarHBondContact O-N 3.32Å; P33-D35 VanDerWaalsContact O-N 3.13Å | ||
| 36 | H | 36.8 | Very low | 38.4 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 91.6 | 51.7 | 176.7 | -131.6 | -95 | 0 | 0 | 0 | 117.7 | Q38 | H36-Q38 PolarHBondContact O-N 3.47Š| ||
| 37 | F | 40.2 | Very low | 39.1 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 90% | 0.899 | 75% | 0.747 | S | S | * | * | trans | -83.2 | 93 | 154.8 | -119.8 | -94.2 | 0 | 0 | 0 | 109.4 | ||||
| 38 | Q | 45.6 | Very low | 39.7 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | trans | 176.7 | 144.8 | 140.4 | -123.2 | 67.3 | -37.5 | 0 | 0 | 108 | H36 | H36-Q38 PolarHBondContact O-N 3.47Š| ||
| 39 | S | 40 | Very low | 40.2 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 89.8 | 64.3 | 167.1 | -163.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 40 | I | 39.8 | Very low | 40.4 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | -138.9 | 82.6 | 140.1 | -47.2 | 176.9 | 0 | 0 | 0 | 109.4 | ||||
| 41 | Y | 39.7 | Very low | 41.5 | Very low | 212 Ų | 212 | 137.4 Ų | 137.4 | 83% | 0.831 | 73% | 0.729 | S | S | * | * | trans | -134.6 | 62.4 | 152.6 | -98.4 | -83.2 | 0 | 0 | 0 | 107.9 | L46 | Y41-L46 HydrophobicContact CE1-CD1 4.33Š| ||
| 42 | S | 35.8 | Very low | 42.4 | Very low | 68 Ų | 68 | 136.9 Ų | 136.9 | 48% | 0.476 | 73% | 0.726 | S | S | . | * | trans | -81.9 | 127.3 | 161.3 | 50 | 0 | 0 | 0 | 0 | 108.2 | S44 A45 | S42-S44 PolarHBondContact O-N 3.46Å; S42-A45 PolarHBondContact O-N 3.46Å | ||
| 43 | F | 41.8 | Very low | 43 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 15.3 | -172.7 | -126.9 | -98.3 | 0 | 0 | 0 | 114.8 | ||
| 44 | S | 48.4 | Very low | 43.7 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -7.8 | -177.6 | 49.1 | 0 | 0 | 0 | 0 | 114.3 | S42 | S42-S44 PolarHBondContact O-N 3.46Š|
| 45 | A | 43.9 | Very low | 44 | Very low | 53 Ų | 53 | 145.6 Ų | 145.6 | 44% | 0.438 | 74% | 0.736 | S | S | . | * | S | Bend | trans | -90.4 | -18.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S42 H47 | S42-A45 PolarHBondContact O-N 3.46Å; A45-H47 VanDerWaalsContact C-N 3.31Å; A45-H47 PolarHBondContact O-N 3.26Å |
| 46 | L | 47.1 | Very low | 44.5 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 57% | 0.565 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -9.2 | 178 | -80.1 | 160.7 | 0 | 0 | 0 | 114.2 | Y41 | Y41-L46 HydrophobicContact CE1-CD1 4.33Š|
| 47 | H | 47.8 | Very low | 45.2 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 73% | 0.731 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -14.4 | 173.6 | -111 | 96.8 | 0 | 0 | 0 | 113.5 | A45 | A45-H47 VanDerWaalsContact C-N 3.31Å; A45-H47 PolarHBondContact O-N 3.26Å |
| 48 | A | 47.3 | Very low | 45.3 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -14.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 49 | I | 48.5 | Very low | 45.3 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -91.4 | -14.2 | 175.5 | -59 | 175.4 | 0 | 0 | 0 | 111.6 | L51 | I49-L51 VanDerWaalsContact C-N 3.25Å; I49-L51 PolarHBondContact O-N 2.87Å |
| 50 | H | 45.1 | Very low | 45.3 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 4.5 | -177 | -147.1 | -75.9 | 0 | 0 | 0 | 114.8 | ||
| 51 | L | 52.8 | Low | 45.1 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 6.2 | -178.8 | -89.4 | 156.1 | 0 | 0 | 0 | 114.8 | I49 | I49-L51 VanDerWaalsContact C-N 3.25Å; I49-L51 PolarHBondContact O-N 2.87Å |
| 52 | H | 48.1 | Very low | 44.7 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -129 | 27 | 175.6 | -106.9 | -72.3 | 0 | 0 | 0 | 115.1 | ||
| 53 | Q | 46.1 | Very low | 44.4 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -146.4 | 34.3 | 171.4 | -121.1 | 170.5 | 42.1 | 0 | 0 | 114.3 | T55 | Q53-T55 VanDerWaalsContact C-N 3.29Å; Q53-T55 PolarHBondContact O-N 3.13Å | ||
| 54 | W | 47.6 | Very low | 44 | Very low | 245 Ų | 245 | 141.7 Ų | 141.7 | 93% | 0.928 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 50.1 | 171.8 | -139.2 | 43.6 | 0 | 0 | 0 | 112.3 | ||
| 55 | T | 48.7 | Very low | 43.2 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 6 | 171 | 52 | 0 | 0 | 0 | 0 | 114.8 | Q53 | Q53-T55 VanDerWaalsContact C-N 3.29Å; Q53-T55 PolarHBondContact O-N 3.13Å |
| 56 | L | 43.7 | Very low | 42.6 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -136 | 111.2 | 169.8 | -66.9 | 173.3 | 0 | 0 | 0 | 109.3 | Y58 | L56-Y58 PolarHBondContact O-N 3.44Š|
| 57 | G | 50.8 | Low | 42 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 92% | 0.918 | 79% | 0.792 | S | S | * | * | trans | -57.7 | 95.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 58 | Y | 42.5 | Very low | 41.2 | Very low | 218 Ų | 218 | 151.9 Ų | 151.9 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -112.9 | 121.2 | 169.3 | -96.5 | -94.9 | 0 | 0 | 0 | 110.5 | L56 | L56-Y58 PolarHBondContact O-N 3.44Š| ||
| 59 | Q | 45.5 | Very low | 40.5 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 131.9 | 178.4 | -157.4 | 171.9 | 1.5 | 0 | 0 | 109.8 | L61 | Q59-L61 PolarHBondContact O-N 3.23Š|
| 60 | P | 40.8 | Very low | 39.7 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 117.4 | -175 | 25.7 | -30.9 | 0 | 0 | 0 | 111.4 | A62 | P60-A62 PolarHBondContact O-N 3.12Š|
| 61 | L | 35.8 | Very low | 39.1 | Very low | 168 Ų | 168 | 156.6 Ų | 156.6 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 124.3 | 165.1 | -74.4 | 168.1 | 0 | 0 | 0 | 109.6 | Q59 F63 | Q59-L61 PolarHBondContact O-N 3.23Å; L61-F63 PolarHBondContact O-N 3.08Å |
| 62 | A | 30.8 | Very low | 39 | Very low | 95 Ų | 95 | 154.4 Ų | 154.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P60 | P60-A62 PolarHBondContact O-N 3.12Š|
| 63 | F | 29.8 | Very low | 39.2 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 145.9 | 156.6 | -70.8 | -88.5 | 0 | 0 | 0 | 109.6 | L61 R65 | L61-F63 PolarHBondContact O-N 3.08Å; F63-R65 VanDerWaalsContact C-N 3.27Å; F63-R65 PolarHBondContact O-N 3.02Å |
| 64 | P | 32.6 | Very low | 38.5 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -73 | 85.6 | -174.9 | 30.7 | -33.2 | 0 | 0 | 0 | 110 | ||||
| 65 | R | 32.9 | Very low | 37.6 | Very low | 223 Ų | 223 | 148.9 Ų | 148.9 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -76.7 | 118.8 | 158.7 | -167 | 169.4 | -172.3 | 165.3 | 0 | 105.7 | F63 T67 | F63-R65 VanDerWaalsContact C-N 3.27Å; F63-R65 PolarHBondContact O-N 3.02Å; R65-T67 PolarHBondContact O-N 3.18Å | ||
| 66 | C | 30.7 | Very low | 36.6 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -53.1 | 92.9 | -173.4 | -57.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 67 | T | 34.6 | Very low | 36 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | trans | -146.8 | 116 | 162.5 | 57.1 | 0 | 0 | 0 | 0 | 104.4 | R65 | R65-T67 PolarHBondContact O-N 3.18Š| ||
| 68 | F | 30.9 | Very low | 35.1 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | -171.9 | 147.8 | 78.9 | -140.7 | -103.7 | 0 | 0 | 0 | 109.7 | K70 | F68-K70 HydrophobicContact CD1-CB 4.36Å; F68-K70 HydrophobicContact CE1-CB 4.27Å | |||
| 69 | S | 32.6 | Very low | 34.5 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -113.9 | 119.3 | 159.3 | -57.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 70 | K | 32.1 | Very low | 33.7 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -169.9 | 104.6 | 147.4 | -121.2 | 166.9 | 178.2 | 179.8 | 0 | 111.3 | F68 | F68-K70 HydrophobicContact CD1-CB 4.36Å; F68-K70 HydrophobicContact CE1-CB 4.27Å | ||
| 71 | L | 31.4 | Very low | 33.2 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -86.1 | 175.4 | 139.1 | -112.6 | 83.8 | 0 | 0 | 0 | 107.3 | ||||
| 72 | P | 51.1 | Low | 33.5 | Very low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -133.5 | -151.4 | -7.9 | 33.8 | -8.4 | 0 | 0 | 0 | 109.4 | ||||
| 73 | P | 51.9 | Low | 33.6 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | cis | -147.8 | -172.6 | 7.1 | 31.3 | -2.9 | 0 | 0 | 0 | 118.3 | ||||
| 74 | Q | 30.9 | Very low | 33.8 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 115.6 | 131.9 | 150.3 | -40.7 | -50.4 | 16.9 | 0 | 0 | 119.4 | ||||
| 75 | F | 30.5 | Very low | 34.7 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 90% | 0.899 | 76% | 0.762 | S | S | * | * | trans | -83.8 | 148.1 | -173.9 | -113.8 | -107.1 | 0 | 0 | 0 | 113.5 | ||||
| 76 | S | 27.8 | Very low | 34.6 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 165.9 | 144.3 | 143 | 45.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 77 | S | 30 | Very low | 34.5 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | 177.6 | 162.6 | -10.5 | -179.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 78 | M | 32.2 | Very low | 34.5 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | 81.2 | 133.9 | 167.3 | -49.4 | -69 | 168.1 | 0 | 0 | 116.3 | ||||
| 79 | A | 30.6 | Very low | 34.9 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | cis | -157.4 | 168.4 | 13.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 80 | S | 28.5 | Very low | 35.3 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -72.2 | 144.6 | -165.3 | -45.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 81 | I | 29 | Very low | 35.3 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | 78.1 | 146.6 | 100.5 | -64.4 | 177.9 | 0 | 0 | 0 | 114.7 | I83 | I81-I83 HydrophobicContact CG2-CD1 4.35Å; I81-I83 HydrophobicContact CG2-CG1 4.42Å | |||
| 82 | P | 43 | Very low | 35.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | cis | -128 | 156.8 | 22.8 | 20.6 | 5.9 | 0 | 0 | 0 | 116.7 | ||||
| 83 | I | 32.2 | Very low | 34.1 | Very low | 122 Ų | 122 | 138 Ų | 138 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | 58.1 | 113.7 | 66.6 | -42 | 179.4 | 0 | 0 | 0 | 113.3 | I81 | I81-I83 HydrophobicContact CG2-CD1 4.35Å; I81-I83 HydrophobicContact CG2-CG1 4.42Å | |||
| 84 | F | 34.9 | Very low | 33.2 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | -179.5 | 179 | 84.4 | -120.6 | -46.2 | 0 | 0 | 0 | 112.6 | |||||
| 85 | P | 50.1 | Low | 33.1 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | -123.4 | 178.2 | -117.4 | 45.9 | -30.2 | 0 | 0 | 0 | 115.3 | |||||
| 86 | H | 31.2 | Very low | 32.9 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | -176 | 131.2 | 127.7 | -144.8 | -120.3 | 0 | 0 | 0 | 113.5 | |||||
| 87 | L | 29.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | 26.6 | 139.7 | 149.8 | -51.8 | -176.1 | 0 | 0 | 0 | 120.6 | ||||
| 88 | L | 33.5 | Very low | 32.8 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | cis | -155.8 | 146.9 | 45.2 | -102.5 | 96.4 | 0 | 0 | 0 | 110.7 | ||||
| 89 | Q | 39.8 | Very low | 32.7 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -89.2 | 169.9 | 154.3 | -63.4 | -147.3 | -46.4 | 0 | 0 | 110.1 | ||||
| 90 | P | 40.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | -137.4 | 144.2 | 97.4 | 30.1 | -14.5 | 0 | 0 | 0 | 114.7 | |||||
| 91 | K | 32.9 | Very low | 32.5 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 65% | 0.648 | 76% | 0.758 | S | S | * | * | trans | -74.1 | 149.3 | 158.7 | -77.5 | 176.7 | 172.5 | -178.5 | 0 | 110 | ||||
| 92 | L | 28.8 | Very low | 32.5 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | -153.9 | 132.2 | 128.8 | -123 | 119.6 | 0 | 0 | 0 | 110.9 | |||||
| 93 | D | 28.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 175.4 | -178.1 | -48.8 | -75.8 | 0 | 0 | 0 | 111.6 | ||||
| 94 | T | 32.9 | Very low | 31.7 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | cis | -173.5 | 169.8 | 12.5 | -8.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 95 | A | 28.1 | Very low | 31.4 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | 80.7 | 133.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 96 | G | 25.6 | Very low | 30.4 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 169.3 | 169.7 | 4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 97 | L | 29.3 | Very low | 30.4 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | trans | 93.9 | 87.1 | 166.4 | -139 | 73.5 | 0 | 0 | 0 | 119.2 | ||||
| 98 | M | 28 | Very low | 30.4 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | 44.3 | 134.9 | 112.4 | -74.4 | -73.9 | 155.1 | 0 | 0 | 122.5 | |||||
| 99 | Q | 29.7 | Very low | 30.2 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 84.7 | 107.1 | 150.4 | -65.6 | 167.6 | 46 | 0 | 0 | 117.6 | ||||
| 100 | S | 24.8 | Very low | 29.8 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 69 | 107.9 | 82.4 | -172.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 101 | S | 29.2 | Very low | 29.3 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | 155.6 | 125.9 | 111.5 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 102 | K | 29 | Very low | 29.2 | Very low | 202 Ų | 202 | 145.4 Ų | 145.4 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | 20.3 | 121.1 | 140.4 | -59.3 | 169.4 | -177 | 172.1 | 0 | 118.2 | ||||
| 103 | S | 29.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | -177.9 | 130.3 | 110.6 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 104 | K | 30.3 | Very low | 29.2 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -59.3 | 148.1 | 162.3 | -80.5 | 168.3 | 169.5 | 170.3 | 0 | 111.2 | R106 | K104-R106 PolarHBondContact O-N 2.97Š| ||
| 105 | P | 28 | Very low | 29 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -84.8 | 103.1 | 148.6 | 30.6 | -25.6 | 0 | 0 | 0 | 109.1 | F107 | P105-F107 HydrophobicContact CB-CD2 4.09Å; P105-F107 HydrophobicContact CB-CE2 3.95Å | ||
| 106 | R | 28.5 | Very low | 29 | Very low | 199 Ų | 199 | 138.5 Ų | 138.5 | 75% | 0.751 | 79% | 0.794 | S | S | * | * | trans | -91.8 | 98.7 | 164.8 | -179.5 | 176.6 | 173 | 165.4 | -3.6 | 106.6 | K104 D108 | K104-R106 PolarHBondContact O-N 2.97Å; R106-D108 IonicContact CZ-OD2 2.87Å; R106-D108 IonicContact NE-OD1 3.3Å; R106-D108 IonicContact NE-OD2 2.72Å; R106-D108 PolarHBondContact NE-OD2 3.2Å; R106-D108 IonicContact NH2-OD2 3.45Å; R106-D108 PolarHBondContact NH2-OD2 3.39Å; R106-D108 PolarHBondContact O-N 3.42Å | ||
| 107 | F | 32.3 | Very low | 29.1 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 93.6 | 172 | -84.9 | -84.8 | 0 | 0 | 0 | 109.2 | P105 | P105-F107 HydrophobicContact CB-CD2 4.09Å; P105-F107 HydrophobicContact CB-CE2 3.95Å | ||
| 108 | D | 29.6 | Very low | 29.1 | Very low | 113 Ų | 113 | 142 Ų | 142 | 60% | 0.604 | 80% | 0.796 | S | S | * | * | trans | -92.1 | 120 | 165 | -75 | -35.5 | 0 | 0 | 0 | 108.1 | R106 | R106-D108 IonicContact CZ-OD2 2.87Å; R106-D108 IonicContact NE-OD1 3.3Å; R106-D108 IonicContact NE-OD2 2.72Å; R106-D108 PolarHBondContact NE-OD2 3.2Å; R106-D108 IonicContact NH2-OD2 3.45Å; R106-D108 PolarHBondContact NH2-OD2 3.39Å; R106-D108 PolarHBondContact O-N 3.42Å | ||
| 109 | F | 29.6 | Very low | 29.5 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -96 | 111.5 | 166.5 | -94.8 | -86.4 | 0 | 0 | 0 | 108.6 | ||||
| 110 | A | 30.5 | Very low | 29.6 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -151 | 112.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 111 | N | 30.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 45.8 | 124.6 | 147.6 | -70.7 | -17.2 | 0 | 0 | 0 | 121.4 | ||||
| 112 | L | 31.5 | Very low | 30.4 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | -138.6 | 121.1 | 132.8 | -158.5 | 65.5 | 0 | 0 | 0 | 110 | ||||
| 113 | A | 27.6 | Very low | 30.4 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -115.7 | 154.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 114 | A | 29 | Very low | 30.6 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | 97.3 | 104 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 115 | A | 29.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 176.5 | 108.1 | 131.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 116 | A | 28.5 | Very low | 31 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | 43 | 118.5 | 67.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 117 | T | 27.6 | Very low | 31.4 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | cis | -166.7 | 155.7 | 29.9 | 40.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 118 | Q | 29.1 | Very low | 31.3 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | -178.3 | 131.9 | 124.1 | -163 | 140.7 | -28.1 | 0 | 0 | 110.3 | |||||
| 119 | E | 35.2 | Very low | 31.5 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -78.5 | 148.5 | 173.9 | -53.5 | -168.9 | 129.2 | 0 | 0 | 110.5 | ||||
| 120 | D | 32.6 | Very low | 31.7 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -153.9 | 149.5 | 141.5 | -115.5 | -36.9 | 0 | 0 | 0 | 111.9 | ||||
| 121 | H | 34.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -111 | 140.6 | -146.1 | -168.4 | -102 | 0 | 0 | 0 | 111.7 | ||||
| 122 | L | 35.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 63% | 0.634 | 80% | 0.804 | S | S | * | * | trans | 49.5 | 127.4 | 153.2 | -93.5 | 62.7 | 0 | 0 | 0 | 121.7 | ||||
| 123 | K | 28.2 | Very low | 31.3 | Very low | 196 Ų | 196 | 133.3 Ų | 133.3 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | -159.1 | 130.2 | 100.7 | -128 | 165.9 | 179.1 | 178.6 | 0 | 113.3 | |||||
| 124 | V | 34.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -102.5 | 130.1 | 170.3 | -119.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 125 | E | 35.8 | Very low | 31.3 | Very low | 185 Ų | 185 | 133 Ų | 133 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -142 | 123.9 | 151.1 | -75.8 | -168.6 | 138.5 | 0 | 0 | 108.5 | ||||
| 126 | D | 30.8 | Very low | 31.1 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -78.5 | 148.4 | 168.7 | -108.5 | -44 | 0 | 0 | 0 | 109.9 | ||||
| 127 | L | 35.7 | Very low | 31.1 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | 179.5 | 92.2 | 136.9 | -94.3 | 152.3 | 0 | 0 | 0 | 111.3 | ||||
| 128 | S | 30.7 | Very low | 31.1 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | 52.5 | 124.3 | 120.2 | 117 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 129 | M | 34.6 | Very low | 31.1 | Very low | 160 Ų | 160 | 128 Ų | 128 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | 98.8 | 125.4 | 123.4 | -71.1 | -61.7 | -176.1 | 0 | 0 | 122.5 | |||||
| 130 | T | 32.4 | Very low | 30.9 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 82.3 | 129.4 | 145.3 | 63.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 131 | G | 30.1 | Very low | 30.9 | Very low | 82 Ų | 82 | 124.6 Ų | 124.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | 161.8 | 111.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 132 | A | 28.9 | Very low | 30.8 | Very low | 99 Ų | 99 | 124 Ų | 124 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -72.2 | 158.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 133 | A | 27.1 | Very low | 30.6 | Very low | 94 Ų | 94 | 123 Ų | 123 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | 67.2 | 124.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 134 | A | 27.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 88.4 | 133.5 | 127.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 135 | A | 27.4 | Very low | 31 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 76.8 | 97.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 136 | A | 27 | Very low | 30.9 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | 52.1 | 137.6 | 111.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 137 | A | 27 | Very low | 31.1 | Very low | 101 Ų | 101 | 117 Ų | 117 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 85.7 | 110.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 138 | A | 27.7 | Very low | 30.9 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | 155.3 | 125.9 | 105.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 139 | A | 30 | Very low | 31.2 | Very low | 97 Ų | 97 | 117.3 Ų | 117.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | 170.3 | 124.9 | 129.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 140 | A | 31.4 | Very low | 31.2 | Very low | 92 Ų | 92 | 114.2 Ų | 114.2 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | 59.9 | 104.4 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 141 | Q | 31.6 | Very low | 31.2 | Very low | 181 Ų | 181 | 113.5 Ų | 113.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | 46 | 102.2 | 60.8 | -67.6 | -165.7 | -40.7 | 0 | 0 | 115.8 | |||||
| 142 | V | 32.5 | Very low | 31.7 | Very low | 141 Ų | 141 | 118.6 Ų | 118.6 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | -151.2 | 100 | 119.4 | 170.3 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 143 | S | 32 | Very low | 31.7 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | 55.5 | 104.2 | 92.7 | -87.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 144 | S | 34.3 | Very low | 31.9 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | 108.3 | 135.9 | 98.7 | 127.1 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 145 | Q | 36.3 | Very low | 32.3 | Very low | 151 Ų | 151 | 123 Ų | 123 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | cis | -158.8 | 157 | 5.7 | -83.9 | 155.4 | -7.6 | 0 | 0 | 103.9 | ||||
| 146 | H | 33.7 | Very low | 32.6 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 63% | 0.634 | 80% | 0.804 | S | S | * | * | 179 | 143.1 | 64.8 | -106.9 | -66.4 | 0 | 0 | 0 | 109.9 | |||||
| 147 | Q | 36 | Very low | 32.7 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 71 | 100.3 | 141.7 | -60.9 | 171.4 | 47.1 | 0 | 0 | 118.3 | ||||
| 148 | T | 31 | Very low | 33.3 | Very low | 133 Ų | 133 | 131 Ų | 131 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | 59.7 | 99.2 | 80.5 | 66.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 149 | S | 37.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | -162.7 | 122.8 | 129.2 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 150 | A | 33.4 | Very low | 34.3 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -60.6 | 148.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 151 | S | 32.5 | Very low | 34.4 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -173.5 | 81.9 | 152.7 | -76.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 152 | L | 41.9 | Very low | 34.5 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 99% | 0.99 | 80% | 0.804 | S | S | * | * | trans | -72.6 | 131.2 | 156.5 | -82.7 | 164.7 | 0 | 0 | 0 | 107.6 | ||||
| 153 | G | 29.1 | Very low | 34.5 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 164.5 | 66.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 154 | C | 30.1 | Very low | 35.2 | Very low | 131 Ų | 131 | 136 Ų | 136 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -64 | 127.6 | 154.1 | -71 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 155 | L | 35.4 | Very low | 35.4 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -154.4 | 124.1 | 137 | -98.6 | 168.8 | 0 | 0 | 0 | 108.6 | ||||
| 156 | L | 33.8 | Very low | 35.5 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -76.6 | 136.6 | 175.4 | -64.1 | 153.3 | 0 | 0 | 0 | 108.3 | ||||
| 157 | D | 30.5 | Very low | 35.7 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -172.7 | 97.6 | 139.7 | -98.5 | -38.5 | 0 | 0 | 0 | 110 | ||||
| 158 | V | 38.3 | Very low | 35.9 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -123.8 | 96.8 | 159 | -178 | 0 | 0 | 0 | 0 | 107.4 | K160 | V158-K160 PolarHBondContact O-N 3.06Å; V158-K160 VanDerWaalsContact O-N 3.12Å | ||
| 159 | T | 36.1 | Very low | 36.6 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.724 | 83% | 0.83 | S | S | * | * | trans | -57.9 | 107.4 | 168.8 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | L161 | T159-L161 PolarHBondContact O-N 2.9Š| ||
| 160 | K | 42.5 | Very low | 37.1 | Very low | 193 Ų | 193 | 147.7 Ų | 147.7 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | 37.9 | 86 | 126.6 | -148.9 | 175.5 | -168.2 | 177.6 | 0 | 116.3 | V158 | V158-K160 PolarHBondContact O-N 3.06Å; V158-K160 VanDerWaalsContact O-N 3.12Å | |||
| 161 | L | 33.1 | Very low | 37.7 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | trans | -123.1 | 90.3 | 144.1 | -80.6 | 170.3 | 0 | 0 | 0 | 108.5 | T159 S163 | T159-L161 PolarHBondContact O-N 2.9Å; L161-S163 PolarHBondContact O-N 2.77Å | ||
| 162 | S | 35.4 | Very low | 38.6 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | -60.5 | 124 | 163.8 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 163 | S | 31 | Very low | 39.1 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -145.3 | 147.2 | 161.1 | -88.1 | 0 | 0 | 0 | 0 | 110.3 | L161 | L161-S163 PolarHBondContact O-N 2.77Š| ||
| 164 | P | 46.7 | Very low | 40.3 | Very low | 117 Ų | 117 | 152 Ų | 152 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | -86.9 | 137.5 | -126.5 | 29.2 | -34.3 | 0 | 0 | 0 | 113.4 | R166 | P164-R166 PolarHBondContact O-N 3.13Š| |||
| 165 | E | 38.3 | Very low | 41.6 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -58.1 | 118.4 | 169.3 | -68.4 | -157.5 | 99.8 | 0 | 0 | 110.6 | K167 | E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.38Å | ||
| 166 | R | 39.3 | Very low | 43 | Very low | 249 Ų | 249 | 151.2 Ų | 151.2 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | -67.1 | 93.3 | 165 | -68.4 | -175.1 | -153.6 | -171 | 5.5 | 108.2 | P164 S168 | P164-R166 PolarHBondContact O-N 3.13Å; R166-S168 PolarHBondContact O-N 2.71Å | ||
| 167 | K | 38.4 | Very low | 44 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -55.4 | 109.8 | 168.7 | -65.5 | 176.7 | -176.8 | 176.7 | 0 | 108.3 | E165 S169 | E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.38Å; K167-S169 VanDerWaalsContact C-N 3.35Å; K167-S169 PolarHBondContact O-N 3.37Å | ||
| 168 | S | 39.6 | Very low | 45.4 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | -70 | 96 | 170.4 | -167.3 | 0 | 0 | 0 | 0 | 107.7 | R166 R170 | R166-S168 PolarHBondContact O-N 2.71Å; S168-R170 PolarHBondContact O-N 3.41Å | ||
| 169 | S | 45.2 | Very low | 47 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -70.1 | 68.1 | 175.7 | 49 | 0 | 0 | 0 | 0 | 111.2 | K167 | K167-S169 VanDerWaalsContact C-N 3.35Å; K167-S169 PolarHBondContact O-N 3.37Å | ||
| 170 | R | 49.5 | Very low | 49.3 | Very low | 209 Ų | 209 | 151 Ų | 151 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | trans | -127.2 | 73.9 | 157.2 | -81.7 | -172.4 | -90.7 | 178.1 | -10.4 | 107.6 | S168 R172 | S168-R170 PolarHBondContact O-N 3.41Å; R170-R172 PolarHBondContact O-N 3.22Å | ||
| 171 | G | 45.1 | Very low | 51.6 | Low | 87 Ų | 87 | 144.8 Ų | 144.8 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | -56.7 | 105.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 172 | R | 52.3 | Low | 54.5 | Low | 223 Ų | 223 | 139.7 Ų | 139.7 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | trans | -100.3 | 117.8 | 160.4 | -179.7 | 180 | -66.2 | -93.8 | -3.2 | 105.1 | R170 | R170-R172 PolarHBondContact O-N 3.22Š| ||
| 173 | L | 50.8 | Low | 57.2 | Low | 159 Ų | 159 | 134.9 Ų | 134.9 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -48.8 | 137.7 | 174.4 | -73.8 | 161 | 0 | 0 | 0 | 110 | S175 | L173-S175 PolarHBondContact O-N 3.22Å; L173-S175 VanDerWaalsContact O-N 3.09Å | ||
| 174 | P | 54.1 | Low | 60.2 | Low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | trans | -64.8 | 113.7 | 179.5 | 24.1 | -30 | 0 | 0 | 0 | 109.3 | K176 | P174-K176 PolarHBondContact O-N 3.42Š| ||
| 175 | S | 58.7 | Low | 62.3 | Low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | trans | -66.8 | 114.3 | 171.4 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | L173 T177 | L173-S175 PolarHBondContact O-N 3.22Å; L173-S175 VanDerWaalsContact O-N 3.09Å; S175-T177 PolarHBondContact O-N 2.89Å | ||
| 176 | K | 65.1 | Low | 64.9 | Low | 197 Ų | 197 | 133.4 Ų | 133.4 | 86% | 0.857 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -46.7 | 129.3 | 173.7 | -78.4 | 175.8 | 175.5 | 176.6 | 0 | 109.9 | P174 | P174-K176 PolarHBondContact O-N 3.42Š|
| 177 | T | 55 | Low | 67.3 | Low | 145 Ų | 145 | 123.5 Ų | 123.5 | 89% | 0.89 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 55.6 | 70.4 | 173.4 | 57.3 | 0 | 0 | 0 | 0 | 117.2 | S175 | S175-T177 PolarHBondContact O-N 2.89Š|
| 178 | K | 59 | Low | 69.8 | Low | 149 Ų | 149 | 120.9 Ų | 120.9 | 65% | 0.648 | 63% | 0.629 | S | S | * | * | trans | -137.4 | 126 | 155.7 | -130 | 168.1 | -171.6 | 162.1 | 0 | 109 | E180 | K178-E180 WeakPolarHBondContact O-CG 3.41Å; K178-E180 PolarHBondContact O-N 2.83Å | ||
| 179 | K | 71.3 | Confident | 72.3 | Confident | 179 Ų | 179 | 121.7 Ų | 121.7 | 78% | 0.778 | 62% | 0.622 | S | S | * | * | trans | -55.1 | 111.5 | 174 | -171.4 | 172.1 | -176.3 | 173.1 | 0 | 108.2 | ||||
| 180 | E | 85.8 | Confident | 74.5 | Confident | 103 Ų | 103 | 117.7 Ų | 117.7 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | trans | -81 | 143.1 | -179.2 | -58 | -172.7 | 169.9 | 0 | 0 | 109.5 | K178 H189 | K178-E180 WeakPolarHBondContact O-CG 3.41Å; K178-E180 PolarHBondContact O-N 2.83Å; E180-H189 IonicContact OE2-CE1 3.37Å; E180-H189 PolarHBondContact OE2-CE1 3.21Å; E180-H189 IonicContact OE2-CG 3.09Å; E180-H189 IonicContact OE2-ND1 3.97Å; E180-H189 PolarHBondContact OE2-ND1 3.17Å | ||
| 181 | F | 90.7 | Very high | 76.5 | Confident | 62 Ų | 62 | 112.3 Ų | 112.3 | 27% | 0.272 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.5 | 117.3 | 176.8 | -65 | -82.2 | 0 | 0 | 0 | 108.4 | H189 F190 K192 L196 | F181-H189 CarbonylContact O-C 3.49Å; F181-F190 HydrophobicContact CB-CB 4.3Å; F181-F190 PolarHBondContact N-O 2.93Å; F181-F190 PolarHBondContact O-N 2.91Å; F181-K192 VanDerWaalsContact CD2-C 3.45Å; F181-L196 HydrophobicContact CB-CB 3.97Å; F181-L196 HydrophobicContact CB-CD2 3.73Å; F181-L196 HydrophobicContact CB-CG 4.45Å |
| 182 | V | 92.4 | Very high | 78.7 | Confident | 65 Ų | 65 | 114.6 Ų | 114.6 | 39% | 0.394 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.7 | -174.3 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 183 | C | 93.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 107.1 Ų | 107.1 | 1% | 0.014 | 55% | 0.547 | C | S | . | . | trans | -71.8 | 126.6 | 174.8 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | F185 G187 R188 F190 L196 H199 | C183-F185 VanDerWaalsContact C-N 3.27Å; C183-F185 PolarHBondContact O-N 3.01Å; C183-G187 VanDerWaalsContact O-CA 3.3Å; C183-G187 WeakPolarHBondContact O-CA 3.28Å; C183-G187 PolarHBondContact O-N 3.34Å; C183-R188 HydrophobicContact CB-CB 4.43Å; C183-R188 PolarHBondContact N-O 2.86Å; C183-F190 HydrophobicContact CB-CE2 4.22Å; C183-L196 VanDerWaalsContact CA-CD1 3.43Å; C183-L196 HydrophobicContact CB-CD1 3.68Å; C183-H199 PolarHBondContact SG-CD2 3.07Å; C183-H199 PolarHBondContact SG-NE2 3.48Å; C183-H199 VanDerWaalsContact SG-NE2 3.43Å | ||
| 184 | K | 92.8 | Very high | 82.5 | Confident | 190 Ų | 190 | 105.7 Ų | 105.7 | 83% | 0.826 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27.2 | 179.8 | -60.8 | 178.8 | -176.5 | 176.4 | 0 | 113.3 | ||
| 185 | F | 91.2 | Very high | 84.3 | Confident | 125 Ų | 125 | 103.8 Ų | 103.8 | 55% | 0.548 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -29.4 | -175.8 | -59.3 | -78.6 | 0 | 0 | 0 | 114 | C183 H203 T204 | C183-F185 VanDerWaalsContact C-N 3.27Å; C183-F185 PolarHBondContact O-N 3.01Å; F185-H203 HydrophobicContact CB-CB 4.09Å; F185-H203 VanDerWaalsContact CB-CG 3.49Å; F185-H203 HydrophobicContact CD1-CB 4.18Å; F185-H203 HydrophobicContact CD2-CB 3.62Å; F185-H203 AromaticContact CD2-CD2 3.66Å; F185-H203 AromaticContact CD2-CG 3.72Å; F185-H203 HydrophobicContact CE2-CB 4.03Å; F185-H203 HydrophobicContact CG-CB 3.7Å; F185-H203 AromaticContact CG-CD2 3.89Å; F185-H203 AromaticContact CG-CG 3.66Å; F185-H203 HydrophobicContact CZ-CB 4.48Å; F185-T204 HydrophobicContact CE2-CG2 4.38Å; F185-T204 HydrophobicContact CZ-CG2 4.19Å |
| 186 | C | 93.2 | Very high | 85.9 | Confident | 59 Ų | 59 | 100.3 Ų | 100.3 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | 8.4 | -173.3 | 70.8 | 0 | 0 | 0 | 0 | 115.1 | R188 H199 | C186-R188 PolarHBondContact O-N 3.5Å; C186-H199 PolarHBondContact SG-NE2 2.98Å |
| 187 | G | 89.6 | Confident | 87.2 | Confident | 40 Ų | 40 | 95 Ų | 95 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | trans | 65.6 | 8.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C183 H189 | C183-G187 VanDerWaalsContact O-CA 3.3Å; C183-G187 WeakPolarHBondContact O-CA 3.28Å; C183-G187 PolarHBondContact O-N 3.34Å; G187-H189 PolarHBondContact O-CD2 3.24Å; G187-H189 VanDerWaalsContact O-CD2 3.23Å | ||
| 188 | R | 90.6 | Very high | 89 | Confident | 135 Ų | 135 | 88.8 Ų | 88.8 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | trans | -73.1 | 132.3 | -176.3 | -167.8 | 171.7 | -169.4 | -168.3 | 4.5 | 111.6 | C183 C186 F190 | C183-R188 HydrophobicContact CB-CB 4.43Å; C183-R188 PolarHBondContact N-O 2.86Å; C186-R188 PolarHBondContact O-N 3.5Å; R188-F190 HydrophobicContact CB-CE2 3.89Å; R188-F190 HydrophobicContact CB-CZ 4.28Å; R188-F190 HydrophobicContact CG-CE2 3.95Å; R188-F190 HydrophobicContact CG-CZ 3.98Å; R188-F190 VanDerWaalsContact O-CD2 3.29Å; R188-F190 WeakPolarHBondContact O-CD2 3.36Å; R188-F190 WeakPolarHBondContact O-CE2 3.35Å | ||
| 189 | H | 91.9 | Very high | 90.6 | Very high | 113 Ų | 113 | 83 Ų | 83 | 52% | 0.523 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 138.3 | 178.8 | -64.9 | -114.3 | 0 | 0 | 0 | 112 | E180 F181 G187 | E180-H189 IonicContact OE2-CE1 3.37Å; E180-H189 PolarHBondContact OE2-CE1 3.21Å; E180-H189 IonicContact OE2-CG 3.09Å; E180-H189 IonicContact OE2-ND1 3.97Å; E180-H189 PolarHBondContact OE2-ND1 3.17Å; F181-H189 CarbonylContact O-C 3.49Å; G187-H189 PolarHBondContact O-CD2 3.24Å; G187-H189 VanDerWaalsContact O-CD2 3.23Å |
| 190 | F | 92 | Very high | 91.6 | Very high | 31 Ų | 31 | 76.5 Ų | 76.5 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 142.4 | 176.9 | -63.9 | -89 | 0 | 0 | 0 | 110.3 | F181 C183 R188 K192 N195 L196 H199 | F181-F190 HydrophobicContact CB-CB 4.3Å; F181-F190 PolarHBondContact N-O 2.93Å; F181-F190 PolarHBondContact O-N 2.91Å; C183-F190 HydrophobicContact CB-CE2 4.22Å; R188-F190 HydrophobicContact CB-CE2 3.89Å; R188-F190 HydrophobicContact CB-CZ 4.28Å; R188-F190 HydrophobicContact CG-CE2 3.95Å; R188-F190 HydrophobicContact CG-CZ 3.98Å; R188-F190 VanDerWaalsContact O-CD2 3.29Å; R188-F190 WeakPolarHBondContact O-CD2 3.36Å; R188-F190 WeakPolarHBondContact O-CE2 3.35Å; F190-K192 VanDerWaalsContact C-N 3.31Å; F190-N195 HydrophobicContact CB-CB 4.43Å; F190-N195 HydrophobicContact CD1-CB 3.84Å; F190-N195 HydrophobicContact CG-CB 4.45Å; F190-L196 HydrophobicContact CB-CB 4.22Å; F190-L196 HydrophobicContact CD2-CB 4Å; F190-L196 HydrophobicContact CD2-CD1 3.85Å; F190-L196 HydrophobicContact CE2-CD1 4.05Å; F190-L196 HydrophobicContact CG-CB 4.2Å; F190-H199 HydrophobicContact CE1-CB 3.94Å; F190-H199 HydrophobicContact CE2-CB 3.99Å; F190-H199 AromaticContact CE2-CD2 3.4Å; F190-H199 VanDerWaalsContact CE2-CD2 3.4Å; F190-H199 WeakPolarHBondContact CE2-CD2 3.26Å; F190-H199 AromaticContact CE2-CG 3.73Å; F190-H199 HydrophobicContact CZ-CB 3.43Å; F190-H199 VanDerWaalsContact CZ-CB 3.43Å; F190-H199 AromaticContact CZ-CD2 3.4Å; F190-H199 WeakPolarHBondContact CZ-CD2 3.41Å; F190-H199 AromaticContact CZ-CG 3.24Å; F190-H199 AromaticContact CZ-ND1 3.9Å |
| 191 | T | 91.4 | Very high | 92 | Very high | 96 Ų | 96 | 73.5 Ų | 73.5 | 59% | 0.589 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -80.4 | -12.1 | 178.1 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 192 | K | 90.7 | Very high | 92.1 | Very high | 135 Ų | 135 | 73 Ų | 73 | 59% | 0.587 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -139.6 | 138.4 | -177.7 | -61.6 | -174.3 | 179.1 | -173.5 | 0 | 110 | F181 F190 Y194 N195 L196 | F181-K192 VanDerWaalsContact CD2-C 3.45Å; F190-K192 VanDerWaalsContact C-N 3.31Å; K192-Y194 PolarHBondContact O-N 3.16Å; K192-N195 HydrophobicContact CB-CB 4.48Å; K192-N195 PolarHBondContact O-N 3.25Å; K192-L196 PolarHBondContact O-N 2.73Å |
| 193 | S | 92.1 | Very high | 92 | Very high | 67 Ų | 67 | 73.3 Ų | 73.3 | 47% | 0.469 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 178 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | N195 L196 L197 | S193-N195 VanDerWaalsContact C-N 3.26Å; S193-N195 PolarHBondContact O-N 2.92Å; S193-L196 WeakPolarHBondContact O-CA 3.12Å; S193-L196 WeakPolarHBondContact O-CB 3.03Å; S193-L196 PolarHBondContact O-N 3.42Å; S193-L197 PolarHBondContact O-N 3.4Å |
| 194 | Y | 90.3 | Very high | 91.8 | Very high | 128 Ų | 128 | 76.3 Ų | 76.3 | 50% | 0.502 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 178.4 | 176.6 | -107.4 | 0 | 0 | 0 | 113 | K192 L197 I198 | K192-Y194 PolarHBondContact O-N 3.16Å; Y194-L197 PolarHBondContact O-N 2.82Å; Y194-I198 HydrophobicContact CD1-CD1 3.69Å; Y194-I198 HydrophobicContact CD2-CD1 4.35Å; Y194-I198 HydrophobicContact CE1-CD1 3.14Å; Y194-I198 HydrophobicContact CE1-CG1 4.27Å; Y194-I198 HydrophobicContact CE2-CD1 3.87Å; Y194-I198 HydrophobicContact CE2-CG1 4.17Å; Y194-I198 HydrophobicContact CG-CD1 4.27Å; Y194-I198 WeakPolarHBondContact O-CG1 3.35Å; Y194-I198 PolarHBondContact O-N 3.09Å; Y194-I198 VanDerWaalsContact O-N 3.08Å |
| 195 | N | 92.4 | Very high | 91.6 | Very high | 66 Ų | 66 | 71.9 Ų | 71.9 | 35% | 0.353 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 176.2 | -70.6 | -22.1 | 0 | 0 | 0 | 111.6 | F190 K192 S193 H199 | F190-N195 HydrophobicContact CB-CB 4.43Å; F190-N195 HydrophobicContact CD1-CB 3.84Å; F190-N195 HydrophobicContact CG-CB 4.45Å; K192-N195 HydrophobicContact CB-CB 4.48Å; K192-N195 PolarHBondContact O-N 3.25Å; S193-N195 VanDerWaalsContact C-N 3.26Å; S193-N195 PolarHBondContact O-N 2.92Å; N195-H199 VanDerWaalsContact O-CB 3.28Å; N195-H199 WeakPolarHBondContact O-CB 3.4Å; N195-H199 PolarHBondContact O-N 3.23Å; N195-H199 VanDerWaalsContact O-N 3.08Å |
| 196 | L | 93.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 71.1 Ų | 71.1 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -50 | 171.9 | 170.1 | 62.3 | 0 | 0 | 0 | 110.4 | F181 C183 F190 K192 S193 I198 H199 E200 | F181-L196 HydrophobicContact CB-CB 3.97Å; F181-L196 HydrophobicContact CB-CD2 3.73Å; F181-L196 HydrophobicContact CB-CG 4.45Å; C183-L196 VanDerWaalsContact CA-CD1 3.43Å; C183-L196 HydrophobicContact CB-CD1 3.68Å; F190-L196 HydrophobicContact CB-CB 4.22Å; F190-L196 HydrophobicContact CD2-CB 4Å; F190-L196 HydrophobicContact CD2-CD1 3.85Å; F190-L196 HydrophobicContact CE2-CD1 4.05Å; F190-L196 HydrophobicContact CG-CB 4.2Å; K192-L196 PolarHBondContact O-N 2.73Å; S193-L196 WeakPolarHBondContact O-CA 3.12Å; S193-L196 WeakPolarHBondContact O-CB 3.03Å; S193-L196 PolarHBondContact O-N 3.42Å; L196-I198 PolarHBondContact O-N 3.37Å; L196-H199 CarbonylContact O-C 3.56Å; L196-H199 WeakPolarHBondContact O-CA 3.2Å; L196-H199 WeakPolarHBondContact O-CB 3.27Å; L196-H199 PolarHBondContact O-N 3.13Å; L196-E200 HydrophobicContact CD1-CG 3.86Å; L196-E200 HydrophobicContact CG-CG 4.29Å; L196-E200 WeakPolarHBondContact O-CG 3.23Å; L196-E200 PolarHBondContact O-N 3.15Å |
| 197 | L | 91.9 | Very high | 91.4 | Very high | 86 Ų | 86 | 74.1 Ų | 74.1 | 45% | 0.45 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.1 | -46.9 | -179.3 | -179.7 | 67.5 | 0 | 0 | 0 | 112.3 | S193 Y194 H199 E200 R201 | S193-L197 PolarHBondContact O-N 3.4Å; Y194-L197 PolarHBondContact O-N 2.82Å; L197-H199 PolarHBondContact O-N 3.37Å; L197-E200 PolarHBondContact O-N 3.19Å; L197-R201 PolarHBondContact O-N 3.33Å |
| 198 | I | 91.6 | Very high | 91.5 | Very high | 15 Ų | 15 | 75.7 Ų | 75.7 | 8% | 0.077 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 174.9 | -69.3 | 163.2 | 0 | 0 | 0 | 111.2 | Y194 L196 R201 R220 | Y194-I198 HydrophobicContact CD1-CD1 3.69Å; Y194-I198 HydrophobicContact CD2-CD1 4.35Å; Y194-I198 HydrophobicContact CE1-CD1 3.14Å; Y194-I198 HydrophobicContact CE1-CG1 4.27Å; Y194-I198 HydrophobicContact CE2-CD1 3.87Å; Y194-I198 HydrophobicContact CE2-CG1 4.17Å; Y194-I198 HydrophobicContact CG-CD1 4.27Å; Y194-I198 WeakPolarHBondContact O-CG1 3.35Å; Y194-I198 PolarHBondContact O-N 3.09Å; Y194-I198 VanDerWaalsContact O-N 3.08Å; L196-I198 PolarHBondContact O-N 3.37Å; I198-R201 WeakPolarHBondContact O-CB 3.44Å; I198-R201 PolarHBondContact O-N 3.36Å; I198-R220 HydrophobicContact CG2-CG 3.51Å |
| 199 | H | 92.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 72 Ų | 72 | 13% | 0.13 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 178.2 | 172.8 | 64.7 | 0 | 0 | 0 | 111.9 | C183 C186 F190 N195 L196 L197 R201 T202 H203 | C183-H199 PolarHBondContact SG-CD2 3.07Å; C183-H199 PolarHBondContact SG-NE2 3.48Å; C183-H199 VanDerWaalsContact SG-NE2 3.43Å; C186-H199 PolarHBondContact SG-NE2 2.98Å; F190-H199 HydrophobicContact CE1-CB 3.94Å; F190-H199 HydrophobicContact CE2-CB 3.99Å; F190-H199 AromaticContact CE2-CD2 3.4Å; F190-H199 VanDerWaalsContact CE2-CD2 3.4Å; F190-H199 WeakPolarHBondContact CE2-CD2 3.26Å; F190-H199 AromaticContact CE2-CG 3.73Å; F190-H199 HydrophobicContact CZ-CB 3.43Å; F190-H199 VanDerWaalsContact CZ-CB 3.43Å; F190-H199 AromaticContact CZ-CD2 3.4Å; F190-H199 WeakPolarHBondContact CZ-CD2 3.41Å; F190-H199 AromaticContact CZ-CG 3.24Å; F190-H199 AromaticContact CZ-ND1 3.9Å; N195-H199 VanDerWaalsContact O-CB 3.28Å; N195-H199 WeakPolarHBondContact O-CB 3.4Å; N195-H199 PolarHBondContact O-N 3.23Å; N195-H199 VanDerWaalsContact O-N 3.08Å; L196-H199 CarbonylContact O-C 3.56Å; L196-H199 WeakPolarHBondContact O-CA 3.2Å; L196-H199 WeakPolarHBondContact O-CB 3.27Å; L196-H199 PolarHBondContact O-N 3.13Å; L197-H199 PolarHBondContact O-N 3.37Å; H199-R201 PolarHBondContact O-N 3.17Å; H199-T202 PolarHBondContact ND1-OG1 3.17Å; H199-T202 WeakPolarHBondContact O-CA 3.44Å; H199-T202 VanDerWaalsContact O-CB 3.24Å; H199-T202 WeakPolarHBondContact O-CB 3.5Å; H199-T202 WeakPolarHBondContact O-CG2 3.41Å; H199-T202 PolarHBondContact O-N 2.9Å; H199-T202 PolarHBondContact O-OG1 3.36Å; H199-H203 AromaticContact CE1-NE2 3.58Å; H199-H203 AromaticContact NE2-CD2 3.89Å; H199-H203 AromaticContact NE2-NE2 3.22Å; H199-H203 PolarHBondContact NE2-NE2 3.47Å |
| 200 | E | 93.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 70.7 Ų | 70.7 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.5 | -33.7 | 176.4 | -73.4 | 179.1 | 155.4 | 0 | 0 | 112.1 | L196 L197 T202 H203 T204 | L196-E200 HydrophobicContact CD1-CG 3.86Å; L196-E200 HydrophobicContact CG-CG 4.29Å; L196-E200 WeakPolarHBondContact O-CG 3.23Å; L196-E200 PolarHBondContact O-N 3.15Å; L197-E200 PolarHBondContact O-N 3.19Å; E200-T202 PolarHBondContact O-N 3.43Å; E200-H203 PolarHBondContact O-N 2.71Å; E200-T204 PolarHBondContact O-N 3.32Å; E200-T204 VanDerWaalsContact O-N 3.15Å |
| 201 | R | 93.5 | Very high | 92 | Very high | 41 Ų | 41 | 69.2 Ų | 69.2 | 16% | 0.155 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -15 | 169.7 | -62.3 | 178.8 | 179.2 | 169.9 | -0.7 | 114.2 | L197 I198 H199 H203 D205 E206 R219 | L197-R201 PolarHBondContact O-N 3.33Å; I198-R201 WeakPolarHBondContact O-CB 3.44Å; I198-R201 PolarHBondContact O-N 3.36Å; H199-R201 PolarHBondContact O-N 3.17Å; R201-H203 VanDerWaalsContact C-N 3.33Å; R201-D205 PolarHBondContact O-N 3.49Å; R201-E206 HydrophobicContact CB-CB 4.45Å; R201-E206 HydrophobicContact CG-CB 4.23Å; R201-R219 HydrophobicContact CB-CB 4.39Å; R201-R219 HydrophobicContact CB-CG 4.47Å; R201-R219 PolarHBondContact NH1-O 3.16Å; R201-R219 VanDerWaalsContact NH1-O 3.08Å; R201-R219 VanDerWaalsContact O-CD 3.31Å; R201-R219 WeakPolarHBondContact O-CD 3.25Å; R201-R219 PolarHBondContact O-NE 3.47Å |
| 202 | T | 92.3 | Very high | 92.1 | Very high | 51 Ų | 51 | 69.1 Ų | 69.1 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -19.6 | 173.7 | 72.6 | 0 | 0 | 0 | 0 | 113.8 | H199 E200 R219 | H199-T202 PolarHBondContact ND1-OG1 3.17Å; H199-T202 WeakPolarHBondContact O-CA 3.44Å; H199-T202 VanDerWaalsContact O-CB 3.24Å; H199-T202 WeakPolarHBondContact O-CB 3.5Å; H199-T202 WeakPolarHBondContact O-CG2 3.41Å; H199-T202 PolarHBondContact O-N 2.9Å; H199-T202 PolarHBondContact O-OG1 3.36Å; E200-T202 PolarHBondContact O-N 3.43Å; T202-R219 PolarHBondContact O-NH2 2.75Å |
| 203 | H | 91.3 | Very high | 92.1 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -38 | 176.2 | -62.9 | -72 | 0 | 0 | 0 | 111.9 | F185 H199 E200 R201 D205 | F185-H203 HydrophobicContact CB-CB 4.09Å; F185-H203 VanDerWaalsContact CB-CG 3.49Å; F185-H203 HydrophobicContact CD1-CB 4.18Å; F185-H203 HydrophobicContact CD2-CB 3.62Å; F185-H203 AromaticContact CD2-CD2 3.66Å; F185-H203 AromaticContact CD2-CG 3.72Å; F185-H203 HydrophobicContact CE2-CB 4.03Å; F185-H203 HydrophobicContact CG-CB 3.7Å; F185-H203 AromaticContact CG-CD2 3.89Å; F185-H203 AromaticContact CG-CG 3.66Å; F185-H203 HydrophobicContact CZ-CB 4.48Å; H199-H203 AromaticContact CE1-NE2 3.58Å; H199-H203 AromaticContact NE2-CD2 3.89Å; H199-H203 AromaticContact NE2-NE2 3.22Å; H199-H203 PolarHBondContact NE2-NE2 3.47Å; E200-H203 PolarHBondContact O-N 2.71Å; R201-H203 VanDerWaalsContact C-N 3.33Å; H203-D205 VanDerWaalsContact C-N 3.31Å |
| 204 | T | 89.7 | Confident | 92.1 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -85 | -5 | 179.7 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | F185 E200 E206 | F185-T204 HydrophobicContact CE2-CG2 4.38Å; F185-T204 HydrophobicContact CZ-CG2 4.19Å; E200-T204 PolarHBondContact O-N 3.32Å; E200-T204 VanDerWaalsContact O-N 3.15Å; T204-E206 PolarHBondContact O-N 2.97Å; T204-E206 WeakPolarHBondContact OG1-CG 3.25Å |
| 205 | D | 87.6 | Confident | 92.3 | Very high | 97 Ų | 97 | 67.7 Ų | 67.7 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | trans | 55.9 | 15.2 | -175 | -83.1 | -51.9 | 0 | 0 | 0 | 116.1 | R201 H203 R207 R219 | R201-D205 PolarHBondContact O-N 3.49Å; H203-D205 VanDerWaalsContact C-N 3.31Å; D205-R207 PolarHBondContact O-N 2.86Å; D205-R219 IonicContact OD1-CZ 2.93Å; D205-R219 IonicContact OD1-NH2 3.07Å; D205-R219 PolarHBondContact OD1-NH2 3.45Å | ||
| 206 | E | 89.8 | Confident | 92.3 | Very high | 109 Ų | 109 | 69.8 Ų | 69.8 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | trans | -62.7 | 123.8 | 175.5 | -74.4 | 176.6 | -164.9 | 0 | 0 | 112 | R201 T204 P208 R219 | R201-E206 HydrophobicContact CB-CB 4.45Å; R201-E206 HydrophobicContact CG-CB 4.23Å; T204-E206 PolarHBondContact O-N 2.97Å; T204-E206 WeakPolarHBondContact OG1-CG 3.25Å; E206-P208 WeakPolarHBondContact O-CD 3.33Å; E206-R219 WeakPolarHBondContact O-CG 3.48Å | ||
| 207 | R | 91.7 | Very high | 92.3 | Very high | 123 Ų | 123 | 70.2 Ų | 70.2 | 46% | 0.464 | 36% | 0.358 | S | S | . | . | trans | -127.1 | 77.1 | -179.9 | -67.6 | 173.6 | -177.4 | -169.3 | 5.4 | 110.6 | D205 Y209 A217 F218 R219 | D205-R207 PolarHBondContact O-N 2.86Å; R207-Y209 PolarHBondContact O-N 3.34Å; R207-A217 HydrophobicContact CB-CB 3.47Å; R207-A217 VanDerWaalsContact CB-CB 3.47Å; R207-A217 HydrophobicContact CG-CB 4.32Å; R207-F218 CarbonylContact C-O 3.57Å; R207-F218 WeakPolarHBondContact CA-O 3.29Å; R207-R219 HydrophobicContact CG-CG 3.84Å | ||
| 208 | P | 91.4 | Very high | 92.4 | Very high | 72 Ų | 72 | 67.4 Ų | 67.4 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | trans | -69.9 | -13.9 | -173 | 26.5 | -33.7 | 0 | 0 | 0 | 113.9 | E206 | E206-P208 WeakPolarHBondContact O-CD 3.33Š| ||
| 209 | Y | 94.5 | Very high | 92.4 | Very high | 59 Ų | 59 | 70 Ų | 70 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 103.7 | -175.2 | -55.1 | -70.9 | 0 | 0 | 0 | 110.6 | R207 A217 F218 Q221 | R207-Y209 PolarHBondContact O-N 3.34Å; Y209-A217 CarbonylContact O-C 3.47Å; Y209-A217 WeakPolarHBondContact O-CA 3.39Å; Y209-F218 PolarHBondContact N-O 3.31Å; Y209-F218 VanDerWaalsContact N-O 3.16Å; Y209-F218 PolarHBondContact O-N 3.09Å; Y209-Q221 HydrophobicContact CD1-CB 4.05Å; Y209-Q221 HydrophobicContact CD1-CG 4.32Å; Y209-Q221 HydrophobicContact CD2-CB 4.4Å; Y209-Q221 HydrophobicContact CE1-CB 3.81Å; Y209-Q221 HydrophobicContact CE1-CG 4.22Å; Y209-Q221 HydrophobicContact CE2-CB 4.15Å; Y209-Q221 HydrophobicContact CG-CB 4.33Å |
| 210 | T | 95 | Very high | 92.3 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 52% | 0.515 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 142.7 | 178.3 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | A217 L224 | T210-A217 HydrophobicContact CG2-CB 3.89Å; T210-L224 WeakPolarHBondContact O-CD2 3.42Å |
| 211 | C | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -75 | 132.2 | 170 | -175 | 0 | 0 | 0 | 0 | 110.1 | I213 C214 H215 K216 F218 L224 | C211-I213 VanDerWaalsContact C-N 3.28Å; C211-I213 PolarHBondContact O-N 3.46Å; C211-I213 PolarHBondContact SG-N 2.93Å; C211-C214 VanDerWaalsContact SG-SG 3.68Å; C211-H215 WeakPolarHBondContact O-CA 3.49Å; C211-H215 PolarHBondContact O-N 3.26Å; C211-H215 PolarHBondContact O-ND1 3.36Å; C211-K216 PolarHBondContact N-O 2.89Å; C211-F218 HydrophobicContact CB-CE2 4.39Å; C211-L224 HydrophobicContact CB-CD1 3.71Å | ||
| 212 | D | 93.5 | Very high | 92.1 | Very high | 95 Ų | 95 | 76.9 Ų | 76.9 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26.2 | 176 | 46.7 | -44.9 | 0 | 0 | 0 | 113.3 | R228 | D212-R228 IonicContact OD1-CZ 2.72Å; D212-R228 VanDerWaalsContact OD1-CZ 3.3Å; D212-R228 IonicContact OD1-NE 3.35Å; D212-R228 PolarHBondContact OD1-NE 3.23Å; D212-R228 IonicContact OD1-NH2 3.55Å; D212-R228 PolarHBondContact OD1-NH2 3.15Å; D212-R228 IonicContact OD2-NH2 3.18Å |
| 213 | I | 91.2 | Very high | 92 | Very high | 99 Ų | 99 | 78.5 Ų | 78.5 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -41.9 | -173.7 | -58.5 | 171.4 | 0 | 0 | 0 | 112.1 | C211 H231 | C211-I213 VanDerWaalsContact C-N 3.28Å; C211-I213 PolarHBondContact O-N 3.46Å; C211-I213 PolarHBondContact SG-N 2.93Å; I213-H231 HydrophobicContact CD1-CB 3.43Å; I213-H231 VanDerWaalsContact CD1-CB 3.43Å; I213-H231 HydrophobicContact CG2-CB 4.37Å |
| 214 | C | 93.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 75.7 Ų | 75.7 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 6.5 | -176.3 | 69.1 | 0 | 0 | 0 | 0 | 113.9 | C211 K216 H227 H231 | C211-C214 VanDerWaalsContact SG-SG 3.68Å; C214-K216 PolarHBondContact O-N 3.41Å; C214-K216 VanDerWaalsContact SG-CB 3.57Å; C214-H227 PolarHBondContact SG-NE2 3.18Å; C214-H231 PolarHBondContact SG-NE2 2.88Å; C214-H231 VanDerWaalsContact SG-NE2 3.44Å |
| 215 | H | 93.1 | Very high | 92.2 | Very high | 145 Ų | 145 | 79.6 Ų | 79.6 | 67% | 0.671 | 38% | 0.381 | S | S | * | . | trans | 57.2 | 11.5 | 178.8 | -53.2 | -54.7 | 0 | 0 | 0 | 115.5 | C211 A217 | C211-H215 WeakPolarHBondContact O-CA 3.49Å; C211-H215 PolarHBondContact O-N 3.26Å; C211-H215 PolarHBondContact O-ND1 3.36Å; H215-A217 PolarHBondContact O-N 3.24Å | ||
| 216 | K | 93.8 | Very high | 92.2 | Very high | 110 Ų | 110 | 76.5 Ų | 76.5 | 48% | 0.478 | 37% | 0.365 | S | S | . | . | trans | -67.8 | 126.2 | 176.7 | -167.5 | 165.3 | -171.3 | -76.3 | 0 | 110.3 | C211 C214 F218 | C211-K216 PolarHBondContact N-O 2.89Å; C214-K216 PolarHBondContact O-N 3.41Å; C214-K216 VanDerWaalsContact SG-CB 3.57Å; K216-F218 HydrophobicContact CB-CE2 4.03Å; K216-F218 HydrophobicContact CB-CZ 4.3Å; K216-F218 HydrophobicContact CD-CZ 4.07Å; K216-F218 HydrophobicContact CG-CE2 4.06Å; K216-F218 HydrophobicContact CG-CZ 3.96Å; K216-F218 VanDerWaalsContact O-CD2 3.27Å; K216-F218 WeakPolarHBondContact O-CD2 3.43Å; K216-F218 WeakPolarHBondContact O-CE2 3.46Å | ||
| 217 | A | 93.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 72.5 Ų | 72.5 | 22% | 0.223 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 142.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R207 Y209 T210 H215 | R207-A217 HydrophobicContact CB-CB 3.47Å; R207-A217 VanDerWaalsContact CB-CB 3.47Å; R207-A217 HydrophobicContact CG-CB 4.32Å; Y209-A217 CarbonylContact O-C 3.47Å; Y209-A217 WeakPolarHBondContact O-CA 3.39Å; T210-A217 HydrophobicContact CG2-CB 3.89Å; H215-A217 PolarHBondContact O-N 3.24Å |
| 218 | F | 92.5 | Very high | 92.1 | Very high | 27 Ų | 27 | 72 Ų | 72 | 12% | 0.118 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.7 | -177.1 | -61.5 | -91.4 | 0 | 0 | 0 | 110.9 | R207 Y209 C211 K216 R220 H223 L224 H227 | R207-F218 CarbonylContact C-O 3.57Å; R207-F218 WeakPolarHBondContact CA-O 3.29Å; Y209-F218 PolarHBondContact N-O 3.31Å; Y209-F218 VanDerWaalsContact N-O 3.16Å; Y209-F218 PolarHBondContact O-N 3.09Å; C211-F218 HydrophobicContact CB-CE2 4.39Å; K216-F218 HydrophobicContact CB-CE2 4.03Å; K216-F218 HydrophobicContact CB-CZ 4.3Å; K216-F218 HydrophobicContact CD-CZ 4.07Å; K216-F218 HydrophobicContact CG-CE2 4.06Å; K216-F218 HydrophobicContact CG-CZ 3.96Å; K216-F218 VanDerWaalsContact O-CD2 3.27Å; K216-F218 WeakPolarHBondContact O-CD2 3.43Å; K216-F218 WeakPolarHBondContact O-CE2 3.46Å; F218-R220 VanDerWaalsContact C-N 3.32Å; F218-H223 HydrophobicContact CD1-CB 4.05Å; F218-L224 HydrophobicContact CB-CB 4.39Å; F218-L224 HydrophobicContact CD2-CB 3.99Å; F218-L224 HydrophobicContact CD2-CD1 3.82Å; F218-L224 HydrophobicContact CD2-CG 4.48Å; F218-L224 HydrophobicContact CE2-CD1 3.9Å; F218-L224 HydrophobicContact CG-CB 4.3Å; F218-H227 HydrophobicContact CE1-CB 4.05Å; F218-H227 HydrophobicContact CE2-CB 4.08Å; F218-H227 AromaticContact CE2-CD2 3.62Å; F218-H227 AromaticContact CE2-CG 3.79Å; F218-H227 HydrophobicContact CZ-CB 3.54Å; F218-H227 AromaticContact CZ-CD2 3.57Å; F218-H227 AromaticContact CZ-CG 3.28Å; F218-H227 AromaticContact CZ-ND1 3.66Å |
| 219 | R | 92.4 | Very high | 91.9 | Very high | 70 Ų | 70 | 71 Ų | 71 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -76.6 | -20.5 | 177 | -59.4 | -177.1 | 178.4 | 147.2 | -6 | 113.1 | R201 T202 D205 E206 R207 | R201-R219 HydrophobicContact CB-CB 4.39Å; R201-R219 HydrophobicContact CB-CG 4.47Å; R201-R219 PolarHBondContact NH1-O 3.16Å; R201-R219 VanDerWaalsContact NH1-O 3.08Å; R201-R219 VanDerWaalsContact O-CD 3.31Å; R201-R219 WeakPolarHBondContact O-CD 3.25Å; R201-R219 PolarHBondContact O-NE 3.47Å; T202-R219 PolarHBondContact O-NH2 2.75Å; D205-R219 IonicContact OD1-CZ 2.93Å; D205-R219 IonicContact OD1-NH2 3.07Å; D205-R219 PolarHBondContact OD1-NH2 3.45Å; E206-R219 WeakPolarHBondContact O-CG 3.48Å; R207-R219 HydrophobicContact CG-CG 3.84Å |
| 220 | R | 91.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 73.2 Ų | 73.2 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -134.7 | 144.5 | -175.6 | -59.4 | 169.9 | 52.5 | 147.9 | -2 | 112.3 | I198 F218 D222 H223 L224 | I198-R220 HydrophobicContact CG2-CG 3.51Å; F218-R220 VanDerWaalsContact C-N 3.32Å; R220-D222 WeakPolarHBondContact CB-OD1 3.31Å; R220-D222 IonicContact CZ-OD1 3.5Å; R220-D222 IonicContact CZ-OD2 2.76Å; R220-D222 IonicContact NE-OD1 2.63Å; R220-D222 PolarHBondContact NE-OD1 3.46Å; R220-D222 IonicContact NE-OD2 3.48Å; R220-D222 PolarHBondContact NE-OD2 3.38Å; R220-D222 IonicContact NH2-OD1 3.74Å; R220-D222 PolarHBondContact NH2-OD1 3.26Å; R220-D222 IonicContact NH2-OD2 3.84Å; R220-D222 PolarHBondContact NH2-OD2 3.48Å; R220-H223 WeakPolarHBondContact CD-NE2 3.46Å; R220-H223 PolarHBondContact O-N 3.4Å; R220-L224 PolarHBondContact O-N 3.01Å |
| 221 | Q | 91.9 | Very high | 91 | Very high | 123 Ų | 123 | 72.3 Ų | 72.3 | 58% | 0.575 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70.7 | -37.4 | -178.2 | -170.6 | 179.3 | 3.6 | 0 | 0 | 113 | Y209 H223 L224 R225 | Y209-Q221 HydrophobicContact CD1-CB 4.05Å; Y209-Q221 HydrophobicContact CD1-CG 4.32Å; Y209-Q221 HydrophobicContact CD2-CB 4.4Å; Y209-Q221 HydrophobicContact CE1-CB 3.81Å; Y209-Q221 HydrophobicContact CE1-CG 4.22Å; Y209-Q221 HydrophobicContact CE2-CB 4.15Å; Y209-Q221 HydrophobicContact CG-CB 4.33Å; Q221-H223 VanDerWaalsContact C-N 3.25Å; Q221-H223 PolarHBondContact O-N 3.11Å; Q221-L224 PolarHBondContact O-N 3.28Å; Q221-L224 VanDerWaalsContact O-N 3.17Å; Q221-R225 PolarHBondContact O-N 3.18Å |
| 222 | D | 89.8 | Confident | 90.3 | Very high | 46 Ų | 46 | 75 Ų | 75 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 177.3 | 60.6 | -47.6 | 0 | 0 | 0 | 111.6 | R220 R225 D226 | R220-D222 WeakPolarHBondContact CB-OD1 3.31Å; R220-D222 IonicContact CZ-OD1 3.5Å; R220-D222 IonicContact CZ-OD2 2.76Å; R220-D222 IonicContact NE-OD1 2.63Å; R220-D222 PolarHBondContact NE-OD1 3.46Å; R220-D222 IonicContact NE-OD2 3.48Å; R220-D222 PolarHBondContact NE-OD2 3.38Å; R220-D222 IonicContact NH2-OD1 3.74Å; R220-D222 PolarHBondContact NH2-OD1 3.26Å; R220-D222 IonicContact NH2-OD2 3.84Å; R220-D222 PolarHBondContact NH2-OD2 3.48Å; D222-R225 PolarHBondContact O-N 3.34Å; D222-D226 WeakPolarHBondContact O-CB 2.9Å; D222-D226 VanDerWaalsContact O-CG 3.26Å; D222-D226 PolarHBondContact O-N 3.44Å |
| 223 | H | 91 | Very high | 89.4 | Confident | 84 Ų | 84 | 78.9 Ų | 78.9 | 39% | 0.389 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 174 | -63.3 | -18.3 | 0 | 0 | 0 | 112.9 | F218 R220 Q221 D226 H227 | F218-H223 HydrophobicContact CD1-CB 4.05Å; R220-H223 WeakPolarHBondContact CD-NE2 3.46Å; R220-H223 PolarHBondContact O-N 3.4Å; Q221-H223 VanDerWaalsContact C-N 3.25Å; Q221-H223 PolarHBondContact O-N 3.11Å; H223-D226 PolarHBondContact O-N 3.39Å; H223-H227 VanDerWaalsContact O-CB 3.23Å; H223-H227 WeakPolarHBondContact O-CB 3.4Å; H223-H227 PolarHBondContact O-N 3.18Å |
| 224 | L | 92.9 | Very high | 88.7 | Confident | 13 Ų | 13 | 80.4 Ų | 80.4 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 172.8 | 172 | 61.4 | 0 | 0 | 0 | 111.1 | T210 C211 F218 R220 Q221 D226 H227 R228 | T210-L224 WeakPolarHBondContact O-CD2 3.42Å; C211-L224 HydrophobicContact CB-CD1 3.71Å; F218-L224 HydrophobicContact CB-CB 4.39Å; F218-L224 HydrophobicContact CD2-CB 3.99Å; F218-L224 HydrophobicContact CD2-CD1 3.82Å; F218-L224 HydrophobicContact CD2-CG 4.48Å; F218-L224 HydrophobicContact CE2-CD1 3.9Å; F218-L224 HydrophobicContact CG-CB 4.3Å; R220-L224 PolarHBondContact O-N 3.01Å; Q221-L224 PolarHBondContact O-N 3.28Å; Q221-L224 VanDerWaalsContact O-N 3.17Å; L224-D226 PolarHBondContact O-N 3.03Å; L224-H227 WeakPolarHBondContact O-CB 3.3Å; L224-H227 PolarHBondContact O-N 2.72Å; L224-R228 PolarHBondContact O-N 3.44Å |
| 225 | R | 90.4 | Very high | 88.1 | Confident | 146 Ų | 146 | 82.1 Ų | 82.1 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.6 | -48.1 | 176.7 | -178.1 | -175.7 | 65.1 | -165.2 | -2.6 | 111.2 | Q221 D222 H227 R228 | Q221-R225 PolarHBondContact O-N 3.18Å; D222-R225 PolarHBondContact O-N 3.34Å; R225-H227 VanDerWaalsContact C-N 3.28Å; R225-H227 PolarHBondContact O-N 3Å; R225-R228 PolarHBondContact O-N 3.35Å |
| 226 | D | 87.8 | Confident | 87.6 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 178.9 | -70.8 | 1 | 0 | 0 | 0 | 111.8 | D222 H223 L224 R228 Y229 Q248 | D222-D226 WeakPolarHBondContact O-CB 2.9Å; D222-D226 VanDerWaalsContact O-CG 3.26Å; D222-D226 PolarHBondContact O-N 3.44Å; H223-D226 PolarHBondContact O-N 3.39Å; L224-D226 PolarHBondContact O-N 3.03Å; D226-R228 VanDerWaalsContact C-N 3.34Å; D226-R228 PolarHBondContact O-N 2.87Å; D226-Y229 WeakPolarHBondContact O-CD2 3.49Å; D226-Y229 PolarHBondContact O-N 2.72Å; D226-Q248 HydrophobicContact CB-CG 4.45Å; D226-Q248 PolarHBondContact OD2-NE2 3.24Å |
| 227 | H | 90 | Very high | 87.2 | Confident | 25 Ų | 25 | 76.6 Ų | 76.6 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 175.6 | 173.2 | 71.3 | 0 | 0 | 0 | 112.6 | C214 F218 H223 L224 R225 Y229 I230 H231 | C214-H227 PolarHBondContact SG-NE2 3.18Å; F218-H227 HydrophobicContact CE1-CB 4.05Å; F218-H227 HydrophobicContact CE2-CB 4.08Å; F218-H227 AromaticContact CE2-CD2 3.62Å; F218-H227 AromaticContact CE2-CG 3.79Å; F218-H227 HydrophobicContact CZ-CB 3.54Å; F218-H227 AromaticContact CZ-CD2 3.57Å; F218-H227 AromaticContact CZ-CG 3.28Å; F218-H227 AromaticContact CZ-ND1 3.66Å; H223-H227 VanDerWaalsContact O-CB 3.23Å; H223-H227 WeakPolarHBondContact O-CB 3.4Å; H223-H227 PolarHBondContact O-N 3.18Å; L224-H227 WeakPolarHBondContact O-CB 3.3Å; L224-H227 PolarHBondContact O-N 2.72Å; R225-H227 VanDerWaalsContact C-N 3.28Å; R225-H227 PolarHBondContact O-N 3Å; H227-Y229 PolarHBondContact O-N 3.3Å; H227-I230 VanDerWaalsContact O-CB 3.26Å; H227-I230 WeakPolarHBondContact O-CB 3.48Å; H227-I230 WeakPolarHBondContact O-CG1 3.4Å; H227-I230 PolarHBondContact O-N 3.5Å; H227-H231 AromaticContact CD2-NE2 3.99Å; H227-H231 AromaticContact CE1-NE2 3.88Å; H227-H231 AromaticContact NE2-CD2 3.94Å; H227-H231 AromaticContact NE2-NE2 3.23Å; H227-H231 PolarHBondContact NE2-NE2 3.07Å |
| 228 | R | 89.8 | Confident | 86.9 | Confident | 111 Ų | 111 | 81.8 Ų | 81.8 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.4 | -27.3 | 179.1 | -78 | -179.9 | 167.9 | 164.7 | -0.5 | 113.7 | D212 L224 R225 D226 I230 H231 S232 | D212-R228 IonicContact OD1-CZ 2.72Å; D212-R228 VanDerWaalsContact OD1-CZ 3.3Å; D212-R228 IonicContact OD1-NE 3.35Å; D212-R228 PolarHBondContact OD1-NE 3.23Å; D212-R228 IonicContact OD1-NH2 3.55Å; D212-R228 PolarHBondContact OD1-NH2 3.15Å; D212-R228 IonicContact OD2-NH2 3.18Å; L224-R228 PolarHBondContact O-N 3.44Å; R225-R228 PolarHBondContact O-N 3.35Å; D226-R228 VanDerWaalsContact C-N 3.34Å; D226-R228 PolarHBondContact O-N 2.87Å; R228-I230 PolarHBondContact O-N 2.63Å; R228-H231 PolarHBondContact O-N 3.43Å; R228-S232 PolarHBondContact O-N 3.34Å; R228-S232 VanDerWaalsContact O-N 3.08Å |
| 229 | Y | 87.3 | Confident | 86.9 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -20.6 | 174.6 | -64.8 | -60.2 | 0 | 0 | 0 | 113.7 | D226 H227 H231 K233 E234 P236 C247 | D226-Y229 WeakPolarHBondContact O-CD2 3.49Å; D226-Y229 PolarHBondContact O-N 2.72Å; H227-Y229 PolarHBondContact O-N 3.3Å; Y229-H231 VanDerWaalsContact C-N 3.3Å; Y229-K233 PolarHBondContact O-N 3.08Å; Y229-K233 VanDerWaalsContact O-N 3.12Å; Y229-E234 HydrophobicContact CD1-CB 4.45Å; Y229-E234 WeakPolarHBondContact CD1-O 3.31Å; Y229-P236 HydrophobicContact CD1-CG 4.45Å; Y229-P236 HydrophobicContact CE1-CG 3.87Å; Y229-C247 HydrophobicContact CD2-CB 4.03Å; Y229-C247 HydrophobicContact CG-CB 4.13Å |
| 230 | I | 84.7 | Confident | 86.7 | Confident | 105 Ų | 105 | 85.5 Ų | 85.5 | 54% | 0.538 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 174.4 | -57.4 | 174.4 | 0 | 0 | 0 | 110.1 | H227 R228 | H227-I230 VanDerWaalsContact O-CB 3.26Å; H227-I230 WeakPolarHBondContact O-CB 3.48Å; H227-I230 WeakPolarHBondContact O-CG1 3.4Å; H227-I230 PolarHBondContact O-N 3.5Å; R228-I230 PolarHBondContact O-N 2.63Å |
| 231 | H | 86.3 | Confident | 86.5 | Confident | 65 Ų | 65 | 86.6 Ų | 86.6 | 30% | 0.301 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -80 | -42.8 | 179.4 | -61.2 | -57.4 | 0 | 0 | 0 | 112.2 | I213 C214 H227 R228 Y229 K233 | I213-H231 HydrophobicContact CD1-CB 3.43Å; I213-H231 VanDerWaalsContact CD1-CB 3.43Å; I213-H231 HydrophobicContact CG2-CB 4.37Å; C214-H231 PolarHBondContact SG-NE2 2.88Å; C214-H231 VanDerWaalsContact SG-NE2 3.44Å; H227-H231 AromaticContact CD2-NE2 3.99Å; H227-H231 AromaticContact CE1-NE2 3.88Å; H227-H231 AromaticContact NE2-CD2 3.94Å; H227-H231 AromaticContact NE2-NE2 3.23Å; H227-H231 PolarHBondContact NE2-NE2 3.07Å; R228-H231 PolarHBondContact O-N 3.43Å; Y229-H231 VanDerWaalsContact C-N 3.3Å; H231-K233 VanDerWaalsContact C-N 3.28Å; H231-K233 PolarHBondContact O-N 3.04Å |
| 232 | S | 79.8 | Confident | 86.4 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 40% | 0.399 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.9 | -15.6 | -178.3 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | R228 E234 | R228-S232 PolarHBondContact O-N 3.34Å; R228-S232 VanDerWaalsContact O-N 3.08Å; S232-E234 PolarHBondContact O-N 3.42Å; S232-E234 WeakPolarHBondContact OG-CB 3.13Å; S232-E234 PolarHBondContact OG-N 2.82Å |
| 233 | K | 74.6 | Confident | 86.1 | Confident | 177 Ų | 177 | 83.5 Ų | 83.5 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | trans | 55.3 | 8.1 | -169.2 | -56.2 | 176.6 | -177.3 | 175.2 | 0 | 113.6 | Y229 H231 K235 | Y229-K233 PolarHBondContact O-N 3.08Å; Y229-K233 VanDerWaalsContact O-N 3.12Å; H231-K233 VanDerWaalsContact C-N 3.28Å; H231-K233 PolarHBondContact O-N 3.04Å; K233-K235 PolarHBondContact O-N 3.3Å | ||
| 234 | E | 75.6 | Confident | 85.9 | Confident | 130 Ų | 130 | 85.6 Ų | 85.6 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | trans | -74.8 | 124.9 | 178.1 | -65.2 | -172.7 | 156.7 | 0 | 0 | 109.2 | Y229 S232 P236 | Y229-E234 HydrophobicContact CD1-CB 4.45Å; Y229-E234 WeakPolarHBondContact CD1-O 3.31Å; S232-E234 PolarHBondContact O-N 3.42Å; S232-E234 WeakPolarHBondContact OG-CB 3.13Å; S232-E234 PolarHBondContact OG-N 2.82Å; E234-P236 VanDerWaalsContact O-CD 3.28Å; E234-P236 WeakPolarHBondContact O-CD 3.47Å | ||
| 235 | K | 81.1 | Confident | 85.6 | Confident | 93 Ų | 93 | 85.7 Ų | 85.7 | 40% | 0.404 | 42% | 0.418 | S | S | . | . | trans | -115.6 | 84.9 | -179.5 | -71.1 | 169.9 | 166.2 | -147.4 | 0 | 108.4 | K233 F237 G245 F246 | K233-K235 PolarHBondContact O-N 3.3Å; K235-F237 PolarHBondContact O-N 3.47Å; K235-G245 WeakPolarHBondContact CD-O 3.44Å; K235-G245 PolarHBondContact NZ-O 3.32Å; K235-F246 CarbonylContact C-O 3.59Å | ||
| 236 | P | 82.2 | Confident | 85.4 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | trans | -65.5 | -24.7 | -174.4 | 23.1 | -31.6 | 0 | 0 | 0 | 112.5 | Y229 E234 | Y229-P236 HydrophobicContact CD1-CG 4.45Å; Y229-P236 HydrophobicContact CE1-CG 3.87Å; E234-P236 VanDerWaalsContact O-CD 3.28Å; E234-P236 WeakPolarHBondContact O-CD 3.47Å | ||
| 237 | F | 86.6 | Confident | 85.3 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 30% | 0.298 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 97.4 | -177.2 | -55.5 | -74.7 | 0 | 0 | 0 | 110.4 | K235 G245 F246 C247 Q248 L252 | K235-F237 PolarHBondContact O-N 3.47Å; F237-G245 CarbonylContact O-C 3.4Å; F237-F246 HydrophobicContact CB-CB 4.22Å; F237-F246 WeakPolarHBondContact CB-O 3.24Å; F237-F246 PolarHBondContact N-O 2.98Å; F237-F246 VanDerWaalsContact N-O 3.16Å; F237-F246 WeakPolarHBondContact O-CD2 3.45Å; F237-F246 PolarHBondContact O-N 3.42Å; F237-C247 WeakPolarHBondContact CE2-O 3.36Å; F237-Q248 VanDerWaalsContact CD2-C 3.48Å; F237-L252 HydrophobicContact CB-CB 4.2Å; F237-L252 HydrophobicContact CB-CD2 3.89Å |
| 238 | K | 87.7 | Confident | 85.1 | Confident | 137 Ų | 137 | 83.1 Ų | 83.1 | 60% | 0.596 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 139.1 | 176.3 | -66.4 | -176.4 | -178.2 | -179.6 | 0 | 111.9 | K244 | K238-K244 WeakPolarHBondContact CA-O 3.42Å |
| 239 | C | 90.7 | Very high | 85 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.007 | 42% | 0.417 | C | S | . | . | trans | -75.9 | 128.6 | 167.7 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | G243 K244 F246 L252 | C239-G243 WeakPolarHBondContact O-CA 3.45Å; C239-G243 PolarHBondContact O-N 3.3Å; C239-K244 PolarHBondContact N-O 2.88Å; C239-F246 HydrophobicContact CB-CE2 4.21Å; C239-L252 HydrophobicContact CB-CD1 3.74Å | ||
| 240 | Q | 88.4 | Confident | 85.1 | Confident | 174 Ų | 174 | 88.3 Ų | 88.3 | 81% | 0.813 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -26.4 | 178.6 | -65.2 | -63.7 | -13.6 | 0 | 0 | 112.4 | ||
| 241 | E | 87.7 | Confident | 85.3 | Confident | 108 Ų | 108 | 86.1 Ų | 86.1 | 51% | 0.505 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -33.1 | -176.4 | -65 | 173 | 143.6 | 0 | 0 | 112.7 | H259 | E241-H259 WeakPolarHBondContact OE2-CB 3.29Å; E241-H259 IonicContact OE2-CD2 3.72Å; E241-H259 PolarHBondContact OE2-CD2 3.2Å; E241-H259 IonicContact OE2-CG 2.83Å |
| 242 | C | 89.1 | Confident | 85.5 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 35% | 0.345 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | 3.5 | -178.8 | 71.8 | 0 | 0 | 0 | 0 | 115.2 | K244 H255 H259 | C242-K244 PolarHBondContact O-N 3.15Å; C242-K244 VanDerWaalsContact SG-CG 3.56Å; C242-H255 PolarHBondContact SG-NE2 2.89Å; C242-H259 PolarHBondContact SG-NE2 2.75Å |
| 243 | G | 84.9 | Confident | 86.1 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 55% | 0.546 | 43% | 0.427 | S | S | . | . | trans | 70.1 | -1.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | C239 G245 | C239-G243 WeakPolarHBondContact O-CA 3.45Å; C239-G243 PolarHBondContact O-N 3.3Å; G243-G245 PolarHBondContact O-N 2.59Å | ||
| 244 | K | 86 | Confident | 86.8 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 56% | 0.557 | 42% | 0.416 | S | S | * | . | trans | -65.9 | 128.8 | -178.5 | -72 | 179.6 | -177.8 | 178.3 | 0 | 111.3 | K238 C239 C242 F246 | K238-K244 WeakPolarHBondContact CA-O 3.42Å; C239-K244 PolarHBondContact N-O 2.88Å; C242-K244 PolarHBondContact O-N 3.15Å; C242-K244 VanDerWaalsContact SG-CG 3.56Å; K244-F246 HydrophobicContact CB-CE2 3.89Å; K244-F246 HydrophobicContact CB-CZ 4Å; K244-F246 WeakPolarHBondContact O-CD2 3.41Å; K244-F246 VanDerWaalsContact O-CE2 3.25Å; K244-F246 WeakPolarHBondContact O-CE2 3.38Å | ||
| 245 | G | 87.6 | Confident | 87.5 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 140.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K235 F237 G243 | K235-G245 WeakPolarHBondContact CD-O 3.44Å; K235-G245 PolarHBondContact NZ-O 3.32Å; F237-G245 CarbonylContact O-C 3.4Å; G243-G245 PolarHBondContact O-N 2.59Å |
| 246 | F | 85.7 | Confident | 87.9 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 150.7 | -179.4 | -57.3 | -87.7 | 0 | 0 | 0 | 110.8 | K235 F237 C239 K244 T251 L252 H255 | K235-F246 CarbonylContact C-O 3.59Å; F237-F246 HydrophobicContact CB-CB 4.22Å; F237-F246 WeakPolarHBondContact CB-O 3.24Å; F237-F246 PolarHBondContact N-O 2.98Å; F237-F246 VanDerWaalsContact N-O 3.16Å; F237-F246 WeakPolarHBondContact O-CD2 3.45Å; F237-F246 PolarHBondContact O-N 3.42Å; C239-F246 HydrophobicContact CB-CE2 4.21Å; K244-F246 HydrophobicContact CB-CE2 3.89Å; K244-F246 HydrophobicContact CB-CZ 4Å; K244-F246 WeakPolarHBondContact O-CD2 3.41Å; K244-F246 VanDerWaalsContact O-CE2 3.25Å; K244-F246 WeakPolarHBondContact O-CE2 3.38Å; F246-T251 HydrophobicContact CD1-CG2 3.65Å; F246-T251 HydrophobicContact CE1-CG2 4.13Å; F246-L252 HydrophobicContact CB-CB 4.39Å; F246-L252 HydrophobicContact CD2-CB 4Å; F246-L252 HydrophobicContact CD2-CD1 3.72Å; F246-L252 HydrophobicContact CD2-CG 4.45Å; F246-L252 HydrophobicContact CE2-CD1 3.85Å; F246-L252 HydrophobicContact CG-CB 4.3Å; F246-H255 HydrophobicContact CE1-CB 4.06Å; F246-H255 HydrophobicContact CE2-CB 4.14Å; F246-H255 AromaticContact CE2-CD2 3.33Å; F246-H255 WeakPolarHBondContact CE2-CD2 3.49Å; F246-H255 AromaticContact CE2-CG 3.76Å; F246-H255 AromaticContact CE2-NE2 3.89Å; F246-H255 HydrophobicContact CZ-CB 3.62Å; F246-H255 AromaticContact CZ-CD2 3.29Å; F246-H255 WeakPolarHBondContact CZ-CD2 3.33Å; F246-H255 AromaticContact CZ-CG 3.25Å; F246-H255 AromaticContact CZ-ND1 3.76Å; F246-H255 AromaticContact CZ-NE2 3.76Å |
| 247 | C | 85.3 | Confident | 88.3 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 24% | 0.243 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -86.6 | -15.9 | 177.2 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | Y229 F237 | Y229-C247 HydrophobicContact CD2-CB 4.03Å; Y229-C247 HydrophobicContact CG-CB 4.13Å; F237-C247 WeakPolarHBondContact CE2-O 3.36Å |
| 248 | Q | 85.9 | Confident | 88.3 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | trans | -131.3 | 138.8 | -177.3 | -68.9 | 177.4 | -6.4 | 0 | 0 | 111.8 | D226 F237 R250 T251 L252 | D226-Q248 HydrophobicContact CB-CG 4.45Å; D226-Q248 PolarHBondContact OD2-NE2 3.24Å; F237-Q248 VanDerWaalsContact CD2-C 3.48Å; Q248-R250 PolarHBondContact O-N 2.86Å; Q248-T251 PolarHBondContact O-N 3.26Å; Q248-L252 PolarHBondContact O-N 3.37Å | ||
| 249 | S | 88.7 | Confident | 88.1 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 49% | 0.49 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 176.8 | 177.6 | 0 | 0 | 0 | 0 | 112.6 | T251 L252 A253 | S249-T251 VanDerWaalsContact C-N 3.3Å; S249-T251 PolarHBondContact O-N 2.8Å; S249-L252 WeakPolarHBondContact O-CB 3.28Å; S249-L252 PolarHBondContact O-N 2.94Å; S249-L252 VanDerWaalsContact O-N 3.15Å; S249-A253 PolarHBondContact O-N 3.08Å |
| 250 | R | 88.6 | Confident | 87.4 | Confident | 203 Ų | 203 | 76.3 Ų | 76.3 | 77% | 0.766 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.5 | -42.7 | 178 | -179.2 | -179.5 | -71.1 | 179 | -1.7 | 111.8 | Q248 L252 A253 V254 | Q248-R250 PolarHBondContact O-N 2.86Å; R250-L252 VanDerWaalsContact C-N 3.35Å; R250-A253 PolarHBondContact O-N 3.36Å; R250-V254 WeakPolarHBondContact O-CG2 3.4Å; R250-V254 PolarHBondContact O-N 3.08Å; R250-V254 VanDerWaalsContact O-N 3.07Å |
| 251 | T | 88.6 | Confident | 86.4 | Confident | 58 Ų | 58 | 73.9 Ų | 73.9 | 36% | 0.356 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 178.7 | -45.2 | 0 | 0 | 0 | 0 | 111.4 | F246 Q248 S249 H255 | F246-T251 HydrophobicContact CD1-CG2 3.65Å; F246-T251 HydrophobicContact CE1-CG2 4.13Å; Q248-T251 PolarHBondContact O-N 3.26Å; S249-T251 VanDerWaalsContact C-N 3.3Å; S249-T251 PolarHBondContact O-N 2.8Å; T251-H255 VanDerWaalsContact O-CB 3.25Å; T251-H255 WeakPolarHBondContact O-CB 3.4Å; T251-H255 PolarHBondContact O-N 3.22Å |
| 252 | L | 91.4 | Very high | 85.1 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 8% | 0.084 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 172.7 | 173.6 | 63.3 | 0 | 0 | 0 | 111.5 | F237 C239 F246 Q248 S249 R250 H255 K256 | F237-L252 HydrophobicContact CB-CB 4.2Å; F237-L252 HydrophobicContact CB-CD2 3.89Å; C239-L252 HydrophobicContact CB-CD1 3.74Å; F246-L252 HydrophobicContact CB-CB 4.39Å; F246-L252 HydrophobicContact CD2-CB 4Å; F246-L252 HydrophobicContact CD2-CD1 3.72Å; F246-L252 HydrophobicContact CD2-CG 4.45Å; F246-L252 HydrophobicContact CE2-CD1 3.85Å; F246-L252 HydrophobicContact CG-CB 4.3Å; Q248-L252 PolarHBondContact O-N 3.37Å; S249-L252 WeakPolarHBondContact O-CB 3.28Å; S249-L252 PolarHBondContact O-N 2.94Å; S249-L252 VanDerWaalsContact O-N 3.15Å; R250-L252 VanDerWaalsContact C-N 3.35Å; L252-H255 WeakPolarHBondContact O-CB 3.35Å; L252-H255 PolarHBondContact O-N 3.43Å; L252-K256 HydrophobicContact CD1-CD 4.5Å; L252-K256 HydrophobicContact CD1-CG 4.17Å; L252-K256 HydrophobicContact CG-CD 4.42Å; L252-K256 HydrophobicContact CG-CG 4.49Å; L252-K256 WeakPolarHBondContact O-CG 3.3Å; L252-K256 PolarHBondContact O-N 3.27Å |
| 253 | A | 91 | Very high | 83.5 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 44% | 0.438 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S249 R250 H255 K256 T257 | S249-A253 PolarHBondContact O-N 3.08Å; R250-A253 PolarHBondContact O-N 3.36Å; A253-H255 VanDerWaalsContact C-N 3.28Å; A253-H255 PolarHBondContact O-N 3.1Å; A253-K256 PolarHBondContact O-N 3.42Å; A253-T257 PolarHBondContact O-N 2.93Å |
| 254 | V | 89.9 | Confident | 82 | Confident | 90 Ų | 90 | 82.4 Ų | 82.4 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | R250 T257 | R250-V254 WeakPolarHBondContact O-CG2 3.4Å; R250-V254 PolarHBondContact O-N 3.08Å; R250-V254 VanDerWaalsContact O-N 3.07Å; V254-T257 PolarHBondContact O-N 3.44Å; V254-T257 PolarHBondContact O-OG1 3.19Å |
| 255 | H | 90.5 | Very high | 80.5 | Confident | 23 Ų | 23 | 83 Ų | 83 | 11% | 0.106 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 175.5 | 169.9 | 66 | 0 | 0 | 0 | 112.4 | C242 F246 T251 L252 A253 T257 L258 H259 | C242-H255 PolarHBondContact SG-NE2 2.89Å; F246-H255 HydrophobicContact CE1-CB 4.06Å; F246-H255 HydrophobicContact CE2-CB 4.14Å; F246-H255 AromaticContact CE2-CD2 3.33Å; F246-H255 WeakPolarHBondContact CE2-CD2 3.49Å; F246-H255 AromaticContact CE2-CG 3.76Å; F246-H255 AromaticContact CE2-NE2 3.89Å; F246-H255 HydrophobicContact CZ-CB 3.62Å; F246-H255 AromaticContact CZ-CD2 3.29Å; F246-H255 WeakPolarHBondContact CZ-CD2 3.33Å; F246-H255 AromaticContact CZ-CG 3.25Å; F246-H255 AromaticContact CZ-ND1 3.76Å; F246-H255 AromaticContact CZ-NE2 3.76Å; T251-H255 VanDerWaalsContact O-CB 3.25Å; T251-H255 WeakPolarHBondContact O-CB 3.4Å; T251-H255 PolarHBondContact O-N 3.22Å; L252-H255 WeakPolarHBondContact O-CB 3.35Å; L252-H255 PolarHBondContact O-N 3.43Å; A253-H255 VanDerWaalsContact C-N 3.28Å; A253-H255 PolarHBondContact O-N 3.1Å; H255-T257 VanDerWaalsContact C-N 3.27Å; H255-T257 PolarHBondContact O-N 3.46Å; H255-L258 VanDerWaalsContact O-CB 3.31Å; H255-L258 WeakPolarHBondContact O-CB 3.46Å; H255-L258 PolarHBondContact O-N 3.04Å; H255-L258 VanDerWaalsContact O-N 3.09Å; H255-H259 AromaticContact CD2-NE2 3.97Å; H255-H259 AromaticContact CE1-NE2 3.37Å; H255-H259 PolarHBondContact CE1-NE2 2.94Å; H255-H259 AromaticContact NE2-CD2 3.77Å; H255-H259 AromaticContact NE2-NE2 3.09Å; H255-H259 PolarHBondContact NE2-NE2 2.76Å |
| 256 | K | 90.2 | Very high | 78.8 | Confident | 97 Ų | 97 | 90.5 Ų | 90.5 | 42% | 0.422 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 177.2 | -75 | 180 | 176.1 | -172.1 | 0 | 112.7 | L252 A253 L258 H259 M260 | L252-K256 HydrophobicContact CD1-CD 4.5Å; L252-K256 HydrophobicContact CD1-CG 4.17Å; L252-K256 HydrophobicContact CG-CD 4.42Å; L252-K256 HydrophobicContact CG-CG 4.49Å; L252-K256 WeakPolarHBondContact O-CG 3.3Å; L252-K256 PolarHBondContact O-N 3.27Å; A253-K256 PolarHBondContact O-N 3.42Å; K256-L258 PolarHBondContact O-N 3.29Å; K256-H259 PolarHBondContact O-N 3.37Å; K256-H259 VanDerWaalsContact O-N 3.11Å; K256-M260 PolarHBondContact O-N 2.89Å |
| 257 | T | 90.1 | Very high | 77 | Confident | 73 Ų | 73 | 94.6 Ų | 94.6 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -26.3 | 176.4 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | A253 V254 H255 H259 M260 Q261 | A253-T257 PolarHBondContact O-N 2.93Å; V254-T257 PolarHBondContact O-N 3.44Å; V254-T257 PolarHBondContact O-OG1 3.19Å; H255-T257 VanDerWaalsContact C-N 3.27Å; H255-T257 PolarHBondContact O-N 3.46Å; T257-H259 VanDerWaalsContact C-N 3.34Å; T257-M260 PolarHBondContact O-N 3.23Å; T257-Q261 PolarHBondContact O-N 3.12Å |
| 258 | L | 86.1 | Confident | 75.3 | Confident | 85 Ų | 85 | 97.2 Ų | 97.2 | 45% | 0.445 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.3 | -32.7 | 174.5 | -58.3 | 174.3 | 0 | 0 | 0 | 112 | H255 K256 M260 Q261 V262 | H255-L258 VanDerWaalsContact O-CB 3.31Å; H255-L258 WeakPolarHBondContact O-CB 3.46Å; H255-L258 PolarHBondContact O-N 3.04Å; H255-L258 VanDerWaalsContact O-N 3.09Å; K256-L258 PolarHBondContact O-N 3.29Å; L258-M260 VanDerWaalsContact C-N 3.3Å; L258-M260 PolarHBondContact O-N 2.99Å; L258-Q261 PolarHBondContact O-N 2.81Å; L258-V262 VanDerWaalsContact O-CG2 3.3Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å; L258-V262 PolarHBondContact O-N 3.02Å |
| 259 | H | 82.5 | Confident | 73.7 | Confident | 41 Ų | 41 | 103 Ų | 103 | 19% | 0.19 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 176 | -74.2 | -57.1 | 0 | 0 | 0 | 112.4 | E241 C242 H255 K256 T257 Q261 V262 K263 | E241-H259 WeakPolarHBondContact OE2-CB 3.29Å; E241-H259 IonicContact OE2-CD2 3.72Å; E241-H259 PolarHBondContact OE2-CD2 3.2Å; E241-H259 IonicContact OE2-CG 2.83Å; C242-H259 PolarHBondContact SG-NE2 2.75Å; H255-H259 AromaticContact CD2-NE2 3.97Å; H255-H259 AromaticContact CE1-NE2 3.37Å; H255-H259 PolarHBondContact CE1-NE2 2.94Å; H255-H259 AromaticContact NE2-CD2 3.77Å; H255-H259 AromaticContact NE2-NE2 3.09Å; H255-H259 PolarHBondContact NE2-NE2 2.76Å; K256-H259 PolarHBondContact O-N 3.37Å; K256-H259 VanDerWaalsContact O-N 3.11Å; T257-H259 VanDerWaalsContact C-N 3.34Å; H259-Q261 VanDerWaalsContact C-N 3.31Å; H259-Q261 PolarHBondContact O-N 3.49Å; H259-V262 PolarHBondContact O-N 3Å; H259-K263 WeakPolarHBondContact O-CB 3.4Å; H259-K263 PolarHBondContact O-N 2.96Å |
| 260 | M | 77.3 | Confident | 71.9 | Confident | 114 Ų | 114 | 109 Ų | 109 | 56% | 0.562 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.5 | -40 | 173.4 | -56.9 | -103.6 | 77.1 | 0 | 0 | 111.1 | K256 T257 L258 | K256-M260 PolarHBondContact O-N 2.89Å; T257-M260 PolarHBondContact O-N 3.23Å; L258-M260 VanDerWaalsContact C-N 3.3Å; L258-M260 PolarHBondContact O-N 2.99Å |
| 261 | Q | 66.8 | Low | 70.5 | Confident | 124 Ų | 124 | 112.2 Ų | 112.2 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.2 | -32.8 | 179.2 | -65.5 | 166.2 | -8.3 | 0 | 0 | 113 | T257 L258 H259 | T257-Q261 PolarHBondContact O-N 3.12Å; L258-Q261 PolarHBondContact O-N 2.81Å; H259-Q261 VanDerWaalsContact C-N 3.31Å; H259-Q261 PolarHBondContact O-N 3.49Å |
| 262 | V | 60.1 | Low | 69.6 | Low | 96 Ų | 96 | 114.9 Ų | 114.9 | 58% | 0.582 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.6 | -26.6 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | L258 H259 E264 L265 | L258-V262 VanDerWaalsContact O-CG2 3.3Å; L258-V262 WeakPolarHBondContact O-CG2 3.36Å; L258-V262 PolarHBondContact O-N 3.02Å; H259-V262 PolarHBondContact O-N 3Å; V262-E264 VanDerWaalsContact C-N 3.25Å; V262-E264 PolarHBondContact O-N 3.47Å; V262-L265 PolarHBondContact O-N 2.89Å |
| 263 | K | 56.6 | Low | 68.4 | Low | 133 Ų | 133 | 120.1 Ų | 120.1 | 58% | 0.578 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.2 | -25.7 | -179.9 | -154.1 | 173.5 | -174.2 | 178.4 | 0 | 113.2 | H259 L265 | H259-K263 WeakPolarHBondContact O-CB 3.4Å; H259-K263 PolarHBondContact O-N 2.96Å; K263-L265 VanDerWaalsContact C-N 3.34Å |
| 264 | E | 53.8 | Low | 67.2 | Low | 161 Ų | 161 | 123.8 Ų | 123.8 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -12.7 | 176.3 | -60.6 | -55.9 | 131.9 | 0 | 0 | 113.3 | V262 K266 | V262-E264 VanDerWaalsContact C-N 3.25Å; V262-E264 PolarHBondContact O-N 3.47Å; E264-K266 PolarHBondContact O-N 2.96Å |
| 265 | L | 53.9 | Low | 65.9 | Low | 141 Ų | 141 | 125.8 Ų | 125.8 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | trans | -101.1 | 61.2 | 174.4 | -63.1 | 173.4 | 0 | 0 | 0 | 110.1 | V262 K263 | V262-L265 PolarHBondContact O-N 2.89Å; K263-L265 VanDerWaalsContact C-N 3.34Å | ||
| 266 | K | 52 | Low | 64.3 | Low | 173 Ų | 173 | 132.3 Ų | 132.3 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 126.7 | 164.1 | -80.5 | -177.5 | 179.3 | 175.7 | 0 | 108.4 | E264 A268 | E264-K266 PolarHBondContact O-N 2.96Å; K266-A268 PolarHBondContact O-N 3.48Å; K266-A268 VanDerWaalsContact O-N 3.15Å |
| 267 | P | 47.4 | Very low | 62.6 | Low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 122.1 | 175.3 | 24.3 | -31.1 | 0 | 0 | 0 | 108.9 | K269 | P267-K269 PolarHBondContact O-N 3.3Š|
| 268 | A | 49.8 | Very low | 60.6 | Low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 123.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | K266 M270 | K266-A268 PolarHBondContact O-N 3.48Å; K266-A268 VanDerWaalsContact O-N 3.15Å; A268-M270 PolarHBondContact O-N 3.09Å |
| 269 | K | 53 | Low | 58.7 | Low | 199 Ų | 199 | 143.2 Ų | 143.2 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | trans | -55.5 | 110.4 | 174.8 | -67.7 | -179.5 | 177.2 | -179.8 | 0 | 107.7 | P267 K271 | P267-K269 PolarHBondContact O-N 3.3Å; K269-K271 PolarHBondContact O-N 3.23Å | ||
| 270 | M | 49.4 | Very low | 56.7 | Low | 198 Ų | 198 | 151.7 Ų | 151.7 | 98% | 0.975 | 76% | 0.758 | S | S | * | * | trans | -64.9 | 113.3 | 162 | -79.3 | 178.4 | 163 | 0 | 0 | 106.5 | A268 | A268-M270 PolarHBondContact O-N 3.09Š| ||
| 271 | K | 60.1 | Low | 54.8 | Low | 269 Ų | 269 | 155.1 Ų | 155.1 | 100% | 1.17 | 78% | 0.776 | S | S | * | * | trans | -90.4 | 0 | 168.4 | -78.5 | -175.9 | 176.1 | -178 | 0 | 108.8 | K269 | K269-K271 PolarHBondContact O-N 3.23Š|
Retrieved 271 of 271 residues in 91.1 ms
(Link to these results)