| 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 | 39 | Very low | 41.6 | Very low | 241 Ų | 241 | 161.5 Ų | 161.5 | 100% | 1.187 | 87% | 0.865 | S | S | * | * | 0 | 147 | 0 | -83.8 | 175.1 | 163.1 | 0 | 0 | 108.2 | |||||
| 2 | I | 45.6 | Very low | 41.3 | Very low | 163 Ų | 163 | 161.3 Ų | 161.3 | 84% | 0.836 | 86% | 0.864 | S | S | * | * | trans | 90.6 | 76.9 | -179 | -45.9 | 171.8 | 0 | 0 | 0 | 115.1 | ||||
| 3 | Q | 41.2 | Very low | 41.2 | Very low | 175 Ų | 175 | 164.3 Ų | 164.3 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | 43.5 | 104.6 | 127.9 | -64.7 | -177.6 | -19.3 | 0 | 0 | 120.1 | |||||
| 4 | S | 39.9 | Very low | 41.2 | Very low | 113 Ų | 113 | 169.9 Ų | 169.9 | 79% | 0.79 | 87% | 0.871 | S | S | * | * | trans | -74.5 | 117.4 | 156.9 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 5 | N | 46.2 | Very low | 41 | Very low | 138 Ų | 138 | 163.6 Ų | 163.6 | 74% | 0.738 | 87% | 0.865 | S | S | * | * | trans | -146.3 | 101 | 164.4 | -83.4 | -33.1 | 0 | 0 | 0 | 109.3 | ||||
| 6 | S | 39.6 | Very low | 41.2 | Very low | 118 Ų | 118 | 161.2 Ų | 161.2 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | trans | -169.8 | 59.5 | 158.4 | 35 | 0 | 0 | 0 | 0 | 110.8 | L8 | S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.21Å | ||
| 7 | T | 46.9 | Very low | 40.8 | Very low | 136 Ų | 136 | 162.8 Ų | 162.8 | 83% | 0.834 | 86% | 0.856 | S | S | * | * | trans | -90.5 | 65.1 | 161.7 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 8 | L | 38 | Very low | 40.7 | Very low | 158 Ų | 158 | 163.1 Ų | 163.1 | 83% | 0.827 | 86% | 0.859 | S | S | * | * | trans | -147.3 | 146 | 169.1 | -71.4 | 176.2 | 0 | 0 | 0 | 108 | S6 | S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.21Å | ||
| 9 | C | 39.5 | Very low | 40.7 | Very low | 127 Ų | 127 | 160.5 Ų | 160.5 | 86% | 0.858 | 86% | 0.855 | S | S | * | * | S | Bend | trans | 98.8 | 35.1 | -178.6 | -41.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 10 | L | 40.4 | Very low | 40.8 | Very low | 178 Ų | 178 | 160.9 Ų | 160.9 | 93% | 0.932 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -133.6 | 47.2 | 156.8 | -79.7 | 177.7 | 0 | 0 | 0 | 111.1 | ||
| 11 | R | 41.6 | Very low | 40.9 | Very low | 229 Ų | 229 | 161.4 Ų | 161.4 | 86% | 0.864 | 86% | 0.858 | S | S | * | * | trans | -152.9 | 100.4 | 167 | -72.7 | -166.9 | 176.1 | -152.1 | -1.2 | 106.6 | ||||
| 12 | N | 37.9 | Very low | 41.1 | Very low | 160 Ų | 160 | 161.3 Ų | 161.3 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | 166.5 | 71.6 | 158.9 | -85 | -14 | 0 | 0 | 0 | 108.4 | ||||
| 13 | F | 39.7 | Very low | 41.1 | Very low | 200 Ų | 200 | 158.6 Ų | 158.6 | 88% | 0.877 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -169.4 | 41.7 | 152.5 | -123.8 | -86.7 | 0 | 0 | 0 | 112.7 | ||
| 14 | Y | 41.7 | Very low | 41.2 | Very low | 243 Ų | 243 | 157.6 Ų | 157.6 | 95% | 0.953 | 85% | 0.846 | S | S | * | * | trans | -141 | 92.8 | 162.8 | -71.4 | -75.8 | 0 | 0 | 0 | 107.1 | ||||
| 15 | G | 37.7 | Very low | 41.5 | Very low | 75 Ų | 75 | 156.8 Ų | 156.8 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | -176.4 | 51.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 16 | V | 44.6 | Very low | 41.5 | Very low | 125 Ų | 125 | 156.1 Ų | 156.1 | 76% | 0.758 | 84% | 0.841 | S | S | * | * | trans | -148.1 | 131 | 161.9 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 17 | F | 34.4 | Very low | 41.9 | Very low | 189 Ų | 189 | 157.3 Ų | 157.3 | 83% | 0.829 | 84% | 0.844 | S | S | * | * | S | Bend | trans | 95.5 | 63.3 | 162 | -123.3 | -92.4 | 0 | 0 | 0 | 118.4 | ||
| 18 | N | 38.9 | Very low | 42 | Very low | 168 Ų | 168 | 154.2 Ų | 154.2 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -160.5 | 82.2 | 148.1 | -98.6 | -36.9 | 0 | 0 | 0 | 109.8 | ||
| 19 | S | 40.5 | Very low | 42.4 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -163.4 | 0.2 | 163 | 60.6 | 0 | 0 | 0 | 0 | 117.4 | ||
| 20 | L | 42.7 | Very low | 42.7 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 88% | 0.88 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -101.2 | 18.6 | -175.2 | -111.6 | 135.2 | 0 | 0 | 0 | 116 | ||
| 21 | L | 42.7 | Very low | 43.1 | Very low | 172 Ų | 172 | 152.3 Ų | 152.3 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | -132.6 | 75.3 | 174.6 | -71.4 | 172.1 | 0 | 0 | 0 | 110.5 | ||||
| 22 | R | 44.4 | Very low | 43.5 | Very low | 239 Ų | 239 | 144.5 Ų | 144.5 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -173 | 120.6 | 165 | -96.1 | 166.7 | -156.9 | -103 | 2.3 | 102.3 | ||||
| 23 | S | 45.2 | Very low | 44 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | cis | -170.2 | 125.3 | 20.7 | 39.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 24 | V | 43.7 | Very low | 44.5 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | trans | -102.9 | 112.8 | 165.1 | 173.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 25 | S | 45.5 | Very low | 44.7 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | trans | -134.1 | 101.8 | 166.8 | 50.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 26 | T | 47.2 | Very low | 45.2 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | 85.1 | 144.1 | 98.8 | -38.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 27 | T | 47.7 | Very low | 45.1 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | 84.7 | 125.2 | -176.8 | 80 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 28 | G | 48.4 | Very low | 45.5 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | cis | 167 | 152.4 | 2.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 29 | P | 47.3 | Very low | 45.8 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | trans | -103.2 | 165.9 | -144.2 | 38 | -33.4 | 0 | 0 | 0 | 115.3 | ||||
| 30 | S | 45.3 | Very low | 45.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -135.8 | 141.9 | 154.7 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 31 | I | 48.3 | Very low | 45.4 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -96 | 133.3 | -158.5 | -65.6 | 158.7 | 0 | 0 | 0 | 109.5 | ||||
| 32 | G | 50.3 | Low | 45.3 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -141.6 | 125.8 | 163 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 33 | P | 48 | Very low | 45.1 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -88.9 | 122.2 | -178.2 | 33.5 | -27.6 | 0 | 0 | 0 | 109.2 | ||||
| 34 | V | 49.5 | Very low | 45 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -128.8 | 102.3 | 159.9 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | N36 | V34-N36 PolarHBondContact O-N 3.44Š| ||
| 35 | S | 47.3 | Very low | 44.9 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -63.4 | 100.6 | 169.9 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 36 | N | 46.9 | Very low | 44.6 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -171.8 | 89.3 | 147 | -150.2 | -23.5 | 0 | 0 | 0 | 109.9 | V34 | V34-N36 PolarHBondContact O-N 3.44Š| ||
| 37 | V | 43.6 | Very low | 44.1 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -134 | 67.7 | 176.1 | -71.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 38 | N | 43.1 | Very low | 44.2 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -97.4 | 14.2 | 163.1 | -78 | -22 | 0 | 0 | 0 | 113.5 | ||||
| 39 | N | 43.6 | Very low | 44.3 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -104.7 | 63.7 | 170 | -84.4 | -25.9 | 0 | 0 | 0 | 111.2 | ||||
| 40 | L | 36.3 | Very low | 44.5 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 62% | 0.623 | 78% | 0.779 | S | S | * | * | trans | -109.5 | 38.4 | 171 | -90.7 | 162.9 | 0 | 0 | 0 | 111.3 | ||||
| 41 | F | 38.9 | Very low | 45.2 | Very low | 205 Ų | 205 | 148.8 Ų | 148.8 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | -141.2 | 62.8 | 167.3 | -72.5 | -75.6 | 0 | 0 | 0 | 110.3 | ||||
| 42 | N | 40.6 | Very low | 45.3 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | -133 | 52.1 | 164.6 | -122.4 | -33.9 | 0 | 0 | 0 | 109.5 | N44 | N42-N44 PolarHBondContact O-N 3.07Å; N42-N44 VanDerWaalsContact O-N 3.07Å | ||
| 43 | F | 41.6 | Very low | 45.6 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -81.2 | 51.7 | 163.6 | -90.2 | -85.9 | 0 | 0 | 0 | 110.1 | Q45 | F43-Q45 PolarHBondContact O-N 2.8Š| ||
| 44 | N | 42.1 | Very low | 45.6 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -92.4 | 46.6 | 163.3 | -85 | -41 | 0 | 0 | 0 | 110.2 | N42 | N42-N44 PolarHBondContact O-N 3.07Å; N42-N44 VanDerWaalsContact O-N 3.07Å | ||
| 45 | Q | 42.5 | Very low | 45.6 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 66% | 0.659 | 76% | 0.758 | S | S | * | * | trans | -121.1 | 78.7 | 166.1 | -81.3 | -170.2 | -8.5 | 0 | 0 | 108.6 | F43 R47 | F43-Q45 PolarHBondContact O-N 2.8Å; Q45-R47 PolarHBondContact O-N 2.82Å | ||
| 46 | W | 38.8 | Very low | 45.5 | Very low | 233 Ų | 233 | 154 Ų | 154 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -53.5 | 92 | 146.2 | -70.5 | 96.2 | 0 | 0 | 0 | 107.2 | V48 | W46-V48 HydrophobicContact CB-CG2 4.36Å; W46-V48 PolarHBondContact O-N 3.04Å | ||
| 47 | R | 35.8 | Very low | 45.8 | Very low | 211 Ų | 211 | 158.2 Ų | 158.2 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -68.7 | 79.9 | 160.5 | -69.2 | -171.9 | -163.4 | -120.9 | 1.4 | 106.1 | Q45 L49 | Q45-R47 PolarHBondContact O-N 2.82Å; R47-L49 PolarHBondContact O-N 2.84Å | ||
| 48 | V | 50.6 | Low | 45.9 | Very low | 108 Ų | 108 | 156.6 Ų | 156.6 | 66% | 0.655 | 75% | 0.749 | S | S | * | * | trans | -57.4 | 112.6 | 160.1 | -175.6 | 0 | 0 | 0 | 0 | 104.5 | W46 Q50 | W46-V48 HydrophobicContact CB-CG2 4.36Å; W46-V48 PolarHBondContact O-N 3.04Å; V48-Q50 PolarHBondContact O-N 2.76Å | ||
| 49 | L | 49.9 | Very low | 46.4 | Very low | 156 Ų | 156 | 155.7 Ų | 155.7 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | trans | -53 | 96.4 | 164.6 | -78.1 | 162.6 | 0 | 0 | 0 | 106.4 | R47 I51 | R47-L49 PolarHBondContact O-N 2.84Å; L49-I51 PolarHBondContact O-N 2.67Å | ||
| 50 | Q | 52.2 | Low | 46.9 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -71.5 | 87.3 | 172.1 | -70.1 | -152.8 | -31.5 | 0 | 0 | 106.6 | V48 P52 | V48-Q50 PolarHBondContact O-N 2.76Å; Q50-P52 VanDerWaalsContact O-CD 3.23Å; Q50-P52 WeakPolarHBondContact O-CD 3.23Å; Q50-P52 VanDerWaalsContact O-N 3.14Å | ||
| 51 | I | 59.7 | Low | 47.9 | Very low | 145 Ų | 145 | 154.9 Ų | 154.9 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | trans | -58.7 | 113.7 | 164.2 | -57.6 | 164.6 | 0 | 0 | 0 | 104.7 | L49 S53 | L49-I51 PolarHBondContact O-N 2.67Å; I51-S53 PolarHBondContact O-N 3.22Å | ||
| 52 | P | 49.9 | Very low | 49.1 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | trans | -59.6 | 120.7 | 175.6 | 24 | -31.1 | 0 | 0 | 0 | 106.5 | Q50 R54 | Q50-P52 VanDerWaalsContact O-CD 3.23Å; Q50-P52 WeakPolarHBondContact O-CD 3.23Å; Q50-P52 VanDerWaalsContact O-N 3.14Å; P52-R54 PolarHBondContact O-N 3.02Å | ||
| 53 | S | 57.6 | Low | 50.2 | Low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | trans | -66.4 | 71.1 | 177.6 | 57.5 | 0 | 0 | 0 | 0 | 109.7 | I51 N55 | I51-S53 PolarHBondContact O-N 3.22Å; S53-N55 PolarHBondContact O-N 3.46Å | ||
| 54 | R | 48 | Very low | 51.2 | Low | 225 Ų | 225 | 145 Ų | 145 | 85% | 0.849 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 42.8 | -175.6 | -153 | 179.1 | -163 | 165.9 | 4.4 | 110.8 | P52 | P52-R54 PolarHBondContact O-N 3.02Š|
| 55 | N | 49.3 | Very low | 52.2 | Low | 128 Ų | 128 | 147.3 Ų | 147.3 | 68% | 0.684 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174 | 25.6 | 160.9 | -150.2 | 13.9 | 0 | 0 | 0 | 115.6 | S53 R57 | S53-N55 PolarHBondContact O-N 3.46Å; N55-R57 PolarHBondContact O-N 2.64Å |
| 56 | R | 45.4 | Very low | 53.4 | Low | 174 Ų | 174 | 142.1 Ų | 142.1 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | trans | -89.7 | 94.8 | 162.8 | -89.1 | -163.5 | -169.7 | -158.2 | -4.8 | 107.9 | E59 | R56-E59 IonicContact CZ-OE1 3.82Å; R56-E59 IonicContact NE-OE1 3.98Å; R56-E59 IonicContact NH1-OE1 2.84Å; R56-E59 PolarHBondContact NH1-OE1 3.38Å; R56-E59 IonicContact NH1-OE2 3.46Å; R56-E59 PolarHBondContact NH1-OE2 3.35Å; R56-E59 IonicContact NH2-OE1 3.22Å; R56-E59 PolarHBondContact NH2-OE1 2.95Å | ||
| 57 | R | 52.2 | Low | 55.2 | Low | 226 Ų | 226 | 140.9 Ų | 140.9 | 85% | 0.853 | 67% | 0.666 | S | S | * | * | trans | -79.4 | -22.3 | 178.4 | -71.3 | -166.3 | -162.8 | -173.8 | 3.1 | 113.9 | N55 | N55-R57 PolarHBondContact O-N 2.64Š| ||
| 58 | S | 46.8 | Very low | 57.3 | Low | 78 Ų | 78 | 136.1 Ų | 136.1 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | trans | 177.8 | 133.6 | 168.2 | 43 | 0 | 0 | 0 | 0 | 107.4 | E60 | S58-E60 PolarHBondContact O-N 3.24Å; S58-E60 VanDerWaalsContact O-N 3.12Å | ||
| 59 | E | 53.1 | Low | 58.5 | Low | 135 Ų | 135 | 132.6 Ų | 132.6 | 63% | 0.631 | 65% | 0.646 | S | S | * | * | trans | -78.1 | 76 | 151.9 | -76.7 | 179.9 | 166.3 | 0 | 0 | 105.9 | R56 V61 | R56-E59 IonicContact CZ-OE1 3.82Å; R56-E59 IonicContact NE-OE1 3.98Å; R56-E59 IonicContact NH1-OE1 2.84Å; R56-E59 PolarHBondContact NH1-OE1 3.38Å; R56-E59 IonicContact NH1-OE2 3.46Å; R56-E59 PolarHBondContact NH1-OE2 3.35Å; R56-E59 IonicContact NH2-OE1 3.22Å; R56-E59 PolarHBondContact NH2-OE1 2.95Å; E59-V61 PolarHBondContact O-N 2.9Å | ||
| 60 | E | 53.6 | Low | 59.8 | Low | 152 Ų | 152 | 131.5 Ų | 131.5 | 71% | 0.71 | 64% | 0.641 | S | S | * | * | trans | -74.4 | 71.9 | 166.9 | -98.2 | -178.4 | 172.8 | 0 | 0 | 108.3 | S58 K62 | S58-E60 PolarHBondContact O-N 3.24Å; S58-E60 VanDerWaalsContact O-N 3.12Å; E60-K62 PolarHBondContact O-N 3.18Å | ||
| 61 | V | 58 | Low | 61.2 | Low | 110 Ų | 110 | 129.7 Ų | 129.7 | 67% | 0.667 | 63% | 0.628 | S | S | * | * | trans | -59.1 | 133.1 | 154.8 | -179.1 | 0 | 0 | 0 | 0 | 106 | E59 K63 | E59-V61 PolarHBondContact O-N 2.9Å; V61-K63 PolarHBondContact O-N 3.46Å | ||
| 62 | K | 64.1 | Low | 62.4 | Low | 48 Ų | 48 | 124.7 Ų | 124.7 | 21% | 0.209 | 60% | 0.602 | C | S | . | * | trans | -52.6 | 109.1 | 175.5 | -170.3 | -179.7 | -145.7 | 179.4 | 0 | 109 | E60 Y64 N72 P73 N128 L129 L130 | E60-K62 PolarHBondContact O-N 3.18Å; K62-Y64 WeakPolarHBondContact O-CD2 3.47Å; K62-Y64 PolarHBondContact O-N 3.12Å; K62-N72 WeakPolarHBondContact CD-OD1 3.47Å; K62-N72 WeakPolarHBondContact CE-OD1 3.24Å; K62-N72 PolarHBondContact NZ-OD1 3.31Å; K62-P73 WeakPolarHBondContact CE-O 3.47Å; K62-N128 WeakPolarHBondContact CD-O 3.12Å; K62-N128 WeakPolarHBondContact CE-O 3.2Å; K62-N128 PolarHBondContact NZ-O 2.82Å; K62-L129 VanDerWaalsContact CE-O 3.3Å; K62-L129 WeakPolarHBondContact CE-O 3.25Å; K62-L129 PolarHBondContact NZ-O 2.88Å; K62-L130 VanDerWaalsContact NZ-C 3.32Å; K62-L130 PolarHBondContact NZ-O 3.41Å | ||
| 63 | K | 62.5 | Low | 64.2 | Low | 150 Ų | 150 | 120.9 Ų | 120.9 | 65% | 0.652 | 58% | 0.578 | S | S | * | * | trans | -75.8 | 115 | 178.7 | -66.6 | -173.7 | 179.4 | -179.1 | 0 | 108.3 | V61 Y65 | V61-K63 PolarHBondContact O-N 3.46Å; K63-Y65 WeakPolarHBondContact O-CD2 3.38Å | ||
| 64 | Y | 64 | Low | 65.8 | Low | 121 Ų | 121 | 117.9 Ų | 117.9 | 48% | 0.475 | 56% | 0.556 | S | S | . | * | trans | -77.2 | 122.4 | 162.1 | -64.4 | -97.3 | 0 | 0 | 0 | 106 | K62 S66 G69 N72 | K62-Y64 WeakPolarHBondContact O-CD2 3.47Å; K62-Y64 PolarHBondContact O-N 3.12Å; Y64-S66 VanDerWaalsContact C-N 3.33Å; Y64-G69 VanDerWaalsContact CD1-O 3.24Å; Y64-G69 WeakPolarHBondContact CD1-O 3.48Å; Y64-N72 HydrophobicContact CD1-CB 4.04Å; Y64-N72 HydrophobicContact CE1-CB 3.71Å | ||
| 65 | Y | 61.8 | Low | 67.8 | Low | 178 Ų | 178 | 109.6 Ų | 109.6 | 70% | 0.698 | 53% | 0.528 | S | S | * | . | trans | -84.4 | -11.7 | -176.8 | -67.1 | -95.9 | 0 | 0 | 0 | 112.6 | K63 Y71 P73 | K63-Y65 WeakPolarHBondContact O-CD2 3.38Å; Y65-Y71 HydrophobicContact CD2-CD1 4.35Å; Y65-Y71 HydrophobicContact CD2-CE1 4.27Å; Y65-P73 HydrophobicContact CD2-CG 3.53Å; Y65-P73 HydrophobicContact CE2-CG 3.55Å | ||
| 66 | S | 67.6 | Low | 69.8 | Low | 32 Ų | 32 | 109.6 Ų | 109.6 | 22% | 0.224 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -93.9 | 135.8 | 176.3 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | Y64 T68 G69 D70 Y71 | Y64-S66 VanDerWaalsContact C-N 3.33Å; S66-T68 PolarHBondContact O-N 2.84Å; S66-G69 PolarHBondContact O-N 3.49Å; S66-G69 WeakPolarHBondContact OG-CA 3.17Å; S66-G69 PolarHBondContact OG-N 3.32Å; S66-D70 PolarHBondContact OG-N 2.96Å; S66-D70 VanDerWaalsContact OG-N 3.17Å; S66-Y71 PolarHBondContact OG-N 3.17Å |
| 67 | E | 76.2 | Confident | 72.1 | Confident | 208 Ų | 208 | 105.8 Ų | 105.8 | 97% | 0.972 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -36.1 | 169.9 | -62.4 | -179.6 | 175.5 | 0 | 0 | 111.8 | G69 | E67-G69 VanDerWaalsContact C-N 3.26Å; E67-G69 PolarHBondContact O-N 2.91Å |
| 68 | T | 81.2 | Confident | 74.1 | Confident | 110 Ų | 110 | 95.2 Ų | 95.2 | 68% | 0.675 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.3 | 177.3 | -32.4 | 0 | 0 | 0 | 0 | 113.9 | S66 D70 | S66-T68 PolarHBondContact O-N 2.84Å; T68-D70 VanDerWaalsContact C-N 3.27Å; T68-D70 WeakPolarHBondContact CB-OD2 3.47Å; T68-D70 WeakPolarHBondContact CG2-OD2 3.39Å; T68-D70 PolarHBondContact O-N 3.45Å |
| 69 | G | 75.2 | Confident | 76.4 | Confident | 35 Ų | 35 | 93.2 Ų | 93.2 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 76.7 | 0.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y64 S66 E67 | Y64-G69 VanDerWaalsContact CD1-O 3.24Å; Y64-G69 WeakPolarHBondContact CD1-O 3.48Å; S66-G69 PolarHBondContact O-N 3.49Å; S66-G69 WeakPolarHBondContact OG-CA 3.17Å; S66-G69 PolarHBondContact OG-N 3.32Å; E67-G69 VanDerWaalsContact C-N 3.26Å; E67-G69 PolarHBondContact O-N 2.91Å |
| 70 | D | 77.9 | Confident | 78.4 | Confident | 132 Ų | 132 | 90 Ų | 90 | 71% | 0.706 | 46% | 0.464 | S | S | * | . | trans | -71.2 | -35.6 | -179.5 | -63.7 | -42.5 | 0 | 0 | 0 | 113.1 | S66 T68 N72 | S66-D70 PolarHBondContact OG-N 2.96Å; S66-D70 VanDerWaalsContact OG-N 3.17Å; T68-D70 VanDerWaalsContact C-N 3.27Å; T68-D70 WeakPolarHBondContact CB-OD2 3.47Å; T68-D70 WeakPolarHBondContact CG2-OD2 3.39Å; T68-D70 PolarHBondContact O-N 3.45Å; D70-N72 PolarHBondContact O-N 3.17Å | ||
| 71 | Y | 81.9 | Confident | 80.4 | Confident | 141 Ų | 141 | 90.3 Ų | 90.3 | 55% | 0.553 | 46% | 0.459 | S | S | * | . | trans | -81.9 | 103.7 | -175.9 | -172.8 | -104 | 0 | 0 | 0 | 111.1 | Y65 S66 P73 | Y65-Y71 HydrophobicContact CD2-CD1 4.35Å; Y65-Y71 HydrophobicContact CD2-CE1 4.27Å; S66-Y71 PolarHBondContact OG-N 3.17Å; Y71-P73 HydrophobicContact CD1-CG 4.15Å; Y71-P73 HydrophobicContact CE1-CB 3.74Å; Y71-P73 HydrophobicContact CE1-CG 3.7Å; Y71-P73 VanDerWaalsContact O-CD 3.29Å; Y71-P73 WeakPolarHBondContact O-CD 3.29Å | ||
| 72 | N | 84.2 | Confident | 82.3 | Confident | 39 Ų | 39 | 87.5 Ų | 87.5 | 21% | 0.209 | 44% | 0.438 | C | S | . | . | trans | -113.8 | 84.7 | -179 | -172.4 | -2.6 | 0 | 0 | 0 | 110.4 | K62 Y64 D70 N131 | K62-N72 WeakPolarHBondContact CD-OD1 3.47Å; K62-N72 WeakPolarHBondContact CE-OD1 3.24Å; K62-N72 PolarHBondContact NZ-OD1 3.31Å; Y64-N72 HydrophobicContact CD1-CB 4.04Å; Y64-N72 HydrophobicContact CE1-CB 3.71Å; D70-N72 PolarHBondContact O-N 3.17Å; N72-N131 HydrophobicContact CB-CB 4.47Å; N72-N131 VanDerWaalsContact O-CB 3.24Å; N72-N131 WeakPolarHBondContact O-CB 3.03Å; N72-N131 PolarHBondContact O-ND2 3.17Å | ||
| 73 | P | 87 | Confident | 83.8 | Confident | 23 Ų | 23 | 88.4 Ų | 88.4 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 139.9 | 179.5 | 27.7 | -31 | 0 | 0 | 0 | 110 | K62 Y65 Y71 | K62-P73 WeakPolarHBondContact CE-O 3.47Å; Y65-P73 HydrophobicContact CD2-CG 3.53Å; Y65-P73 HydrophobicContact CE2-CG 3.55Å; Y71-P73 HydrophobicContact CD1-CG 4.15Å; Y71-P73 HydrophobicContact CE1-CB 3.74Å; Y71-P73 HydrophobicContact CE1-CG 3.7Å; Y71-P73 VanDerWaalsContact O-CD 3.29Å; Y71-P73 WeakPolarHBondContact O-CD 3.29Å |
| 74 | P | 91.1 | Very high | 85.4 | Confident | 31 Ų | 31 | 84.3 Ų | 84.3 | 20% | 0.201 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -73 | 151.6 | 172.8 | 36.8 | -40.1 | 0 | 0 | 0 | 110.5 | Q76 I79 L130 W134 | P74-Q76 PolarHBondContact O-N 3.32Å; P74-I79 HydrophobicContact CB-CD1 3.59Å; P74-I79 HydrophobicContact CB-CG1 4.43Å; P74-I79 HydrophobicContact CG-CD1 3.55Å; P74-L130 HydrophobicContact CB-CD2 4.26Å; P74-W134 VanDerWaalsContact CB-CD1 3.43Å; P74-W134 HydrophobicContact CB-CG 4.38Å; P74-W134 VanDerWaalsContact CG-NE1 3.32Å |
| 75 | N | 91.1 | Very high | 86.9 | Confident | 50 Ų | 50 | 78.8 Ų | 78.8 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 119.3 | 166.6 | -172 | -44.1 | 0 | 0 | 0 | 110.1 | D77 A78 I79 L129 | N75-D77 VanDerWaalsContact C-N 3.34Å; N75-D77 PolarHBondContact O-N 3.11Å; N75-D77 WeakPolarHBondContact OD1-CB 3.38Å; N75-D77 PolarHBondContact OD1-N 3.39Å; N75-A78 HydrophobicContact CB-CB 4.25Å; N75-A78 WeakPolarHBondContact O-CB 3.46Å; N75-A78 PolarHBondContact O-N 3.28Å; N75-I79 PolarHBondContact O-N 2.95Å; N75-L129 HydrophobicContact CB-CB 3.94Å; N75-L129 HydrophobicContact CB-CD2 4.3Å; N75-L129 PolarHBondContact N-O 2.97Å |
| 76 | Q | 91.8 | Very high | 88.5 | Confident | 129 Ų | 129 | 73.4 Ų | 73.4 | 60% | 0.603 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.8 | -32.4 | -176.7 | -165.7 | 59.7 | 23.7 | 0 | 0 | 113.2 | P74 A78 I79 G80 | P74-Q76 PolarHBondContact O-N 3.32Å; Q76-A78 VanDerWaalsContact C-N 3.28Å; Q76-A78 PolarHBondContact O-N 3.46Å; Q76-I79 PolarHBondContact O-N 2.95Å; Q76-G80 PolarHBondContact O-N 3.47Å |
| 77 | D | 93.5 | Very high | 89.7 | Confident | 93 Ų | 93 | 76.3 Ų | 76.3 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 174.8 | -83 | -52.4 | 0 | 0 | 0 | 111.7 | N75 G80 R81 | N75-D77 VanDerWaalsContact C-N 3.34Å; N75-D77 PolarHBondContact O-N 3.11Å; N75-D77 WeakPolarHBondContact OD1-CB 3.38Å; N75-D77 PolarHBondContact OD1-N 3.39Å; D77-G80 PolarHBondContact O-N 3.02Å; D77-R81 VanDerWaalsContact CG-NH2 3.32Å; D77-R81 WeakPolarHBondContact O-CB 3.45Å; D77-R81 WeakPolarHBondContact O-CD 3.49Å; D77-R81 WeakPolarHBondContact O-CG 3.49Å; D77-R81 PolarHBondContact O-N 2.94Å; D77-R81 IonicContact OD1-CZ 3.46Å; D77-R81 IonicContact OD1-NE 3.07Å; D77-R81 IonicContact OD1-NH2 3.58Å; D77-R81 PolarHBondContact OD1-NH2 3.28Å; D77-R81 IonicContact OD2-NH2 2.64Å |
| 78 | A | 94.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | N75 Q76 R81 F82 L129 L130 | N75-A78 HydrophobicContact CB-CB 4.25Å; N75-A78 WeakPolarHBondContact O-CB 3.46Å; N75-A78 PolarHBondContact O-N 3.28Å; Q76-A78 VanDerWaalsContact C-N 3.28Å; Q76-A78 PolarHBondContact O-N 3.46Å; A78-R81 PolarHBondContact O-N 3.49Å; A78-F82 WeakPolarHBondContact O-CD2 3.29Å; A78-F82 PolarHBondContact O-N 3.35Å; A78-F82 VanDerWaalsContact O-N 3.15Å; A78-L129 HydrophobicContact CB-CB 4.36Å; A78-L129 HydrophobicContact CB-CD1 4.41Å; A78-L130 HydrophobicContact CB-CD2 4Å |
| 79 | I | 94.8 | Very high | 91.1 | Very high | 35 Ų | 35 | 62.3 Ų | 62.3 | 18% | 0.179 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.2 | -65.5 | 162.9 | 0 | 0 | 0 | 111.1 | P74 N75 Q76 R81 L130 W134 | P74-I79 HydrophobicContact CB-CD1 3.59Å; P74-I79 HydrophobicContact CB-CG1 4.43Å; P74-I79 HydrophobicContact CG-CD1 3.55Å; N75-I79 PolarHBondContact O-N 2.95Å; Q76-I79 PolarHBondContact O-N 2.95Å; I79-R81 VanDerWaalsContact C-N 3.29Å; I79-R81 PolarHBondContact O-N 3.22Å; I79-L130 HydrophobicContact CD1-CD2 4.48Å; I79-L130 HydrophobicContact CG1-CD2 3.72Å; I79-W134 HydrophobicContact CD1-CD2 3.86Å; I79-W134 HydrophobicContact CD1-CE3 4.33Å; I79-W134 HydrophobicContact CD1-CG 4.36Å; I79-W134 HydrophobicContact CD1-CH2 4Å; I79-W134 HydrophobicContact CD1-CZ2 3.5Å; I79-W134 VanDerWaalsContact CD1-CZ2 3.5Å; I79-W134 HydrophobicContact CD1-CZ3 4.39Å; I79-W134 HydrophobicContact CG1-CD2 4Å; I79-W134 HydrophobicContact CG1-CE3 4.12Å; I79-W134 HydrophobicContact CG1-CG 4.49Å; I79-W134 HydrophobicContact CG1-CH2 4.36Å; I79-W134 HydrophobicContact CG1-CZ2 4.26Å; I79-W134 HydrophobicContact CG1-CZ3 4.29Å; I79-W134 HydrophobicContact CG2-CE3 4.24Å; I79-W134 HydrophobicContact CG2-CH2 3.66Å; I79-W134 HydrophobicContact CG2-CZ2 4.29Å; I79-W134 HydrophobicContact CG2-CZ3 3.63Å |
| 80 | G | 95 | Very high | 92.2 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71 | -20.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q76 D77 | Q76-G80 PolarHBondContact O-N 3.47Å; D77-G80 PolarHBondContact O-N 3.02Å |
| 81 | R | 96 | Very high | 93.1 | Very high | 158 Ų | 158 | 55.3 Ų | 55.3 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -107.6 | -27.6 | -172.2 | -63.7 | 175.1 | -162.8 | -171.2 | 8.9 | 114.2 | D77 A78 I79 | D77-R81 VanDerWaalsContact CG-NH2 3.32Å; D77-R81 WeakPolarHBondContact O-CB 3.45Å; D77-R81 WeakPolarHBondContact O-CD 3.49Å; D77-R81 WeakPolarHBondContact O-CG 3.49Å; D77-R81 PolarHBondContact O-N 2.94Å; D77-R81 IonicContact OD1-CZ 3.46Å; D77-R81 IonicContact OD1-NE 3.07Å; D77-R81 IonicContact OD1-NH2 3.58Å; D77-R81 PolarHBondContact OD1-NH2 3.28Å; D77-R81 IonicContact OD2-NH2 2.64Å; A78-R81 PolarHBondContact O-N 3.49Å; I79-R81 VanDerWaalsContact C-N 3.29Å; I79-R81 PolarHBondContact O-N 3.22Å |
| 82 | F | 97 | Very high | 93.8 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 23% | 0.228 | 26% | 0.256 | C | S | . | . | trans | -123.4 | 129.3 | -170.6 | -60.7 | -82.6 | 0 | 0 | 0 | 111.7 | A78 Y90 H92 T118 I126 | A78-F82 WeakPolarHBondContact O-CD2 3.29Å; A78-F82 PolarHBondContact O-N 3.35Å; A78-F82 VanDerWaalsContact O-N 3.15Å; F82-Y90 HydrophobicContact CB-CD1 3.98Å; F82-Y90 HydrophobicContact CB-CG 4.46Å; F82-H92 HydrophobicContact CD1-CB 3.67Å; F82-H92 HydrophobicContact CE1-CB 3.87Å; F82-H92 AromaticContact CE1-CD2 3.98Å; F82-H92 AromaticContact CE1-CG 3.85Å; F82-T118 HydrophobicContact CD1-CG2 3.83Å; F82-T118 HydrophobicContact CE1-CG2 3.72Å; F82-I126 HydrophobicContact CB-CD1 4.36Å; F82-I126 HydrophobicContact CD1-CD1 3.62Å; F82-I126 HydrophobicContact CD2-CD1 3.84Å; F82-I126 HydrophobicContact CD2-CG1 4.29Å; F82-I126 HydrophobicContact CE1-CD1 3.79Å; F82-I126 HydrophobicContact CE2-CD1 3.98Å; F82-I126 HydrophobicContact CE2-CG1 4.33Å; F82-I126 HydrophobicContact CG-CD1 3.68Å; F82-I126 HydrophobicContact CZ-CD1 3.96Å | ||
| 83 | K | 95.6 | Very high | 94.4 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.9 | 167.7 | 174.5 | 80.9 | 178.3 | -148.6 | 0 | 108.8 | Y90 I91 D143 Y145 | K83-Y90 CarbonylContact O-C 3.54Å; K83-Y90 VanDerWaalsContact O-CA 3.25Å; K83-Y90 WeakPolarHBondContact O-CA 3.47Å; K83-I91 PolarHBondContact N-O 3.24Å; K83-I91 PolarHBondContact O-N 3.05Å; K83-D143 IonicContact NZ-OD1 3.51Å; K83-D143 IonicContact NZ-OD2 2.74Å; K83-D143 PolarHBondContact NZ-OD2 3.18Å; K83-Y145 HydrophobicContact CD-CD2 4.48Å; K83-Y145 HydrophobicContact CG-CD2 4.35Å |
| 84 | R | 95.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 136.7 | 176.5 | -175.8 | 171.4 | 166.5 | 118.8 | -1.9 | 111.6 | Y90 N127 R135 | R84-Y90 HydrophobicContact CB-CD1 3.9Å; R84-Y90 HydrophobicContact CB-CE1 3.62Å; R84-Y90 HydrophobicContact CG-CD1 4.34Å; R84-Y90 HydrophobicContact CG-CE1 3.82Å; R84-Y90 PolarHBondContact NH1-OH 3.1Å; R84-N127 PolarHBondContact NH1-OD1 2.98Å; R84-R135 PolarHBondContact NE-O 3.08Å; R84-R135 VanDerWaalsContact NE-O 3.13Å; R84-R135 PolarHBondContact NH2-O 3.35Å |
| 85 | L | 96 | Very high | 95.1 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 153.5 | 170.8 | -59.5 | 178.1 | 0 | 0 | 0 | 111.4 | W87 G88 A89 I91 L117 | L85-W87 VanDerWaalsContact C-N 3.33Å; L85-W87 HydrophobicContact CD1-CZ2 3.93Å; L85-W87 PolarHBondContact O-N 2.7Å; L85-G88 PolarHBondContact O-N 3.06Å; L85-A89 HydrophobicContact CD1-CB 4.48Å; L85-A89 PolarHBondContact N-O 2.99Å; L85-I91 HydrophobicContact CD1-CD1 3.81Å; L85-I91 HydrophobicContact CD1-CG1 3.85Å; L85-I91 HydrophobicContact CD2-CD1 3.73Å; L85-I91 HydrophobicContact CD2-CG1 4.3Å; L85-I91 HydrophobicContact CG-CD1 4.02Å; L85-I91 HydrophobicContact CG-CG1 4.08Å; L85-L117 HydrophobicContact CD1-CD2 4.08Å |
| 86 | R | 94.6 | Very high | 95.3 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 25% | 0.249 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -39 | -177.4 | -64.2 | -172.3 | -172.8 | 131.5 | 11.4 | 113.2 | G88 P137 K138 E146 H149 | R86-G88 PolarHBondContact O-N 2.94Å; R86-P137 HydrophobicContact CG-CB 3.93Å; R86-K138 PolarHBondContact NH2-O 2.99Å; R86-E146 IonicContact CZ-OE1 3.67Å; R86-E146 VanDerWaalsContact CZ-OE1 3.27Å; R86-E146 IonicContact CZ-OE2 3.51Å; R86-E146 IonicContact NH1-OE1 2.81Å; R86-E146 PolarHBondContact NH1-OE1 2.85Å; R86-E146 IonicContact NH1-OE2 3.59Å; R86-E146 VanDerWaalsContact NH2-CD 3.3Å; R86-E146 IonicContact NH2-OE1 3.77Å; R86-E146 PolarHBondContact NH2-OE1 3.14Å; R86-E146 IonicContact NH2-OE2 2.82Å; R86-E146 PolarHBondContact NH2-OE2 3.38Å; R86-H149 HydrophobicContact CB-CB 4.12Å; R86-H149 HydrophobicContact CG-CB 3.86Å; R86-H149 PolarHBondContact N-CD2 3.14Å |
| 87 | W | 92.8 | Very high | 95.5 | Very high | 92 Ų | 92 | 53.1 Ų | 53.1 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -3.8 | 176.9 | 64 | -100.3 | 0 | 0 | 0 | 114.3 | L85 A89 L117 Y148 R151 | L85-W87 VanDerWaalsContact C-N 3.33Å; L85-W87 HydrophobicContact CD1-CZ2 3.93Å; L85-W87 PolarHBondContact O-N 2.7Å; W87-A89 HydrophobicContact CD2-CB 4.21Å; W87-A89 HydrophobicContact CE3-CB 3.79Å; W87-A89 HydrophobicContact CH2-CB 2.98Å; W87-A89 HydrophobicContact CZ2-CB 3.44Å; W87-A89 VanDerWaalsContact CZ2-CB 3.44Å; W87-A89 HydrophobicContact CZ3-CB 3.1Å; W87-L117 HydrophobicContact CH2-CD1 4.34Å; W87-L117 HydrophobicContact CH2-CD2 4.44Å; W87-L117 HydrophobicContact CZ2-CD1 4.28Å; W87-L117 HydrophobicContact CZ2-CD2 4.14Å; W87-Y148 PolarHBondContact NE1-O 3Å; W87-R151 VanDerWaalsContact CH2-NH2 3.26Å |
| 88 | G | 93.4 | Very high | 95.6 | Very high | 20 Ų | 20 | 52.6 Ų | 52.6 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 105 | 5.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | L85 R86 T123 | L85-G88 PolarHBondContact O-N 3.06Å; R86-G88 PolarHBondContact O-N 2.94Å; G88-T123 VanDerWaalsContact O-CG2 3.25Å; G88-T123 WeakPolarHBondContact O-CG2 3.46Å |
| 89 | A | 94.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | trans | -88.3 | 169.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L85 W87 L117 | L85-A89 HydrophobicContact CD1-CB 4.48Å; L85-A89 PolarHBondContact N-O 2.99Å; W87-A89 HydrophobicContact CD2-CB 4.21Å; W87-A89 HydrophobicContact CE3-CB 3.79Å; W87-A89 HydrophobicContact CH2-CB 2.98Å; W87-A89 HydrophobicContact CZ2-CB 3.44Å; W87-A89 VanDerWaalsContact CZ2-CB 3.44Å; W87-A89 HydrophobicContact CZ3-CB 3.1Å; A89-L117 HydrophobicContact CB-CD2 4.05Å | ||
| 90 | Y | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.2 | 170.9 | -61.4 | -92.4 | 0 | 0 | 0 | 110.3 | F82 K83 R84 L117 T118 T123 I126 N127 L130 | F82-Y90 HydrophobicContact CB-CD1 3.98Å; F82-Y90 HydrophobicContact CB-CG 4.46Å; K83-Y90 CarbonylContact O-C 3.54Å; K83-Y90 VanDerWaalsContact O-CA 3.25Å; K83-Y90 WeakPolarHBondContact O-CA 3.47Å; R84-Y90 HydrophobicContact CB-CD1 3.9Å; R84-Y90 HydrophobicContact CB-CE1 3.62Å; R84-Y90 HydrophobicContact CG-CD1 4.34Å; R84-Y90 HydrophobicContact CG-CE1 3.82Å; R84-Y90 PolarHBondContact NH1-OH 3.1Å; Y90-L117 WeakPolarHBondContact O-CA 3.46Å; Y90-T118 PolarHBondContact O-N 3.49Å; Y90-T118 PolarHBondContact O-OG1 3.27Å; Y90-T123 HydrophobicContact CD2-CG2 3.9Å; Y90-T123 HydrophobicContact CE2-CG2 3.87Å; Y90-I126 HydrophobicContact CD1-CD1 4.42Å; Y90-I126 HydrophobicContact CD1-CG2 3.91Å; Y90-I126 HydrophobicContact CD2-CB 4.3Å; Y90-I126 HydrophobicContact CD2-CD1 4.03Å; Y90-I126 HydrophobicContact CD2-CG2 4.28Å; Y90-I126 HydrophobicContact CE1-CB 4.42Å; Y90-I126 HydrophobicContact CE1-CG2 3.43Å; Y90-I126 VanDerWaalsContact CE1-CG2 3.43Å; Y90-I126 HydrophobicContact CE2-CB 3.99Å; Y90-I126 HydrophobicContact CE2-CG2 3.87Å; Y90-I126 HydrophobicContact CG-CD1 3.95Å; Y90-I126 HydrophobicContact CG-CG2 4.3Å; Y90-I126 VanDerWaalsContact CZ-CG2 3.42Å; Y90-N127 PolarHBondContact OH-OD1 3.46Å; Y90-L130 HydrophobicContact CE1-CD1 3.81Å |
| 91 | I | 97.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 9% | 0.092 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.1 | 169.7 | -63.5 | 178.4 | 0 | 0 | 0 | 108 | K83 L85 H115 L117 Y145 | K83-I91 PolarHBondContact N-O 3.24Å; K83-I91 PolarHBondContact O-N 3.05Å; L85-I91 HydrophobicContact CD1-CD1 3.81Å; L85-I91 HydrophobicContact CD1-CG1 3.85Å; L85-I91 HydrophobicContact CD2-CD1 3.73Å; L85-I91 HydrophobicContact CD2-CG1 4.3Å; L85-I91 HydrophobicContact CG-CD1 4.02Å; L85-I91 HydrophobicContact CG-CG1 4.08Å; I91-H115 HydrophobicContact CG2-CB 3.63Å; I91-L117 HydrophobicContact CG1-CD2 3.78Å; I91-Y145 HydrophobicContact CD1-CD1 3.93Å; I91-Y145 HydrophobicContact CD1-CE1 4.16Å; I91-Y145 HydrophobicContact CG2-CE1 4.5Å |
| 92 | H | 97.2 | Very high | 95.9 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 22% | 0.218 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 162.4 | 170.2 | 71.9 | 103.7 | 0 | 0 | 0 | 112.4 | F82 H115 I116 | F82-H92 HydrophobicContact CD1-CB 3.67Å; F82-H92 HydrophobicContact CE1-CB 3.87Å; F82-H92 AromaticContact CE1-CD2 3.98Å; F82-H92 AromaticContact CE1-CG 3.85Å; H92-H115 WeakPolarHBondContact O-CA 3.48Å; H92-I116 PolarHBondContact N-O 3.15Å; H92-I116 PolarHBondContact O-N 2.99Å |
| 93 | A | 96.8 | Very high | 95.9 | Very high | 38 Ų | 38 | 71.4 Ų | 71.4 | 31% | 0.314 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 145.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 94 | R | 96.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 70.3 Ų | 70.3 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 140.1 | 170.9 | -70.7 | 173.5 | -177 | -127.7 | 17.4 | 110.4 | R111 E114 I116 | R94-R111 WeakPolarHBondContact CD-O 3.25Å; R94-R111 PolarHBondContact NE-O 3.28Å; R94-R111 VanDerWaalsContact NH1-NH1 3.14Å; R94-E114 IonicContact CZ-OE2 3.27Å; R94-E114 IonicContact NE-OE2 2.72Å; R94-E114 IonicContact NH2-OE2 2.93Å; R94-E114 PolarHBondContact NH2-OE2 3.05Å; R94-I116 HydrophobicContact CG-CD1 3.91Å; R94-I116 HydrophobicContact CG-CG1 4.09Å; R94-I116 HydrophobicContact CG-CG2 4Å |
| 95 | S | 95 | Very high | 96 | Very high | 102 Ų | 102 | 70.2 Ų | 70.2 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 139.2 | -179.3 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | R97 R112 | S95-R97 VanDerWaalsContact C-N 3.28Å; S95-R97 PolarHBondContact O-N 2.72Å; S95-R112 PolarHBondContact O-NH1 3.34Å |
| 96 | G | 96.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 75.8 Ų | 75.8 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 19.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A98 K99 R104 | G96-A98 PolarHBondContact O-N 3.45Å; G96-K99 PolarHBondContact O-N 3.24Å; G96-K99 VanDerWaalsContact O-N 3.16Å; G96-R104 PolarHBondContact O-NH1 2.98Å; G96-R104 PolarHBondContact O-NH2 3.16Å |
| 97 | R | 96.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 76.8 Ų | 76.8 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -36 | 178.6 | 69.9 | 178.4 | -77 | -179.3 | 3.6 | 113.5 | S95 L101 R104 R112 S113 H115 | S95-R97 VanDerWaalsContact C-N 3.28Å; S95-R97 PolarHBondContact O-N 2.72Å; R97-L101 WeakPolarHBondContact O-CD2 3.38Å; R97-R104 PolarHBondContact O-NH1 3.3Å; R97-R112 HydrophobicContact CB-CB 4.26Å; R97-R112 VanDerWaalsContact CB-O 3.25Å; R97-R112 WeakPolarHBondContact CB-O 3.22Å; R97-S113 PolarHBondContact NH1-O 3.43Å; R97-S113 PolarHBondContact NH2-O 2.81Å; R97-H115 PolarHBondContact NH1-NE2 3Å |
| 98 | A | 95.6 | Very high | 96.5 | Very high | 82 Ų | 82 | 75.1 Ų | 75.1 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 0 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G96 | G96-A98 PolarHBondContact O-N 3.45Š|
| 99 | K | 96.6 | Very high | 96.7 | Very high | 141 Ų | 141 | 76 Ų | 76 | 61% | 0.613 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -96.8 | 145.5 | -175.6 | -64.2 | -169.4 | 175.5 | -172.2 | 0 | 111.8 | G96 L101 R104 | G96-K99 PolarHBondContact O-N 3.24Å; G96-K99 VanDerWaalsContact O-N 3.16Å; K99-L101 VanDerWaalsContact C-N 3.27Å; K99-L101 PolarHBondContact O-N 3.22Å; K99-R104 PolarHBondContact O-NE 3.38Å; K99-R104 PolarHBondContact O-NH1 2.82Å; K99-R104 PolarHBondContact O-NH2 3.35Å |
| 100 | H | 96.5 | Very high | 96.8 | Very high | 107 Ų | 107 | 80.1 Ų | 80.1 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 50 | 40.5 | 172.1 | -53.7 | -63 | 0 | 0 | 0 | 114.9 | Y102 R103 | H100-Y102 VanDerWaalsContact C-N 3.26Å; H100-Y102 HydrophobicContact CB-CE1 4.41Å; H100-Y102 PolarHBondContact O-N 2.99Å; H100-R103 PolarHBondContact O-N 3.01Å |
| 101 | L | 96.9 | Very high | 96.8 | Very high | 87 Ų | 87 | 85.6 Ų | 85.6 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -56.6 | -41.6 | -176 | -57.2 | -179.9 | 0 | 0 | 0 | 112 | R97 K99 R103 R104 L109 | R97-L101 WeakPolarHBondContact O-CD2 3.38Å; K99-L101 VanDerWaalsContact C-N 3.27Å; K99-L101 PolarHBondContact O-N 3.22Å; L101-R103 PolarHBondContact O-N 3.21Å; L101-R103 VanDerWaalsContact O-N 3.08Å; L101-R104 PolarHBondContact O-N 3.35Å; L101-R104 VanDerWaalsContact O-N 3.14Å; L101-L109 HydrophobicContact CB-CD2 4.35Å; L101-L109 HydrophobicContact CD2-CD2 3.75Å |
| 102 | Y | 95.9 | Very high | 96.8 | Very high | 189 Ų | 189 | 87.4 Ų | 87.4 | 74% | 0.741 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -60.8 | -17.8 | -178.9 | 70.2 | -83.7 | 0 | 0 | 0 | 115.6 | H100 | H100-Y102 VanDerWaalsContact C-N 3.26Å; H100-Y102 HydrophobicContact CB-CE1 4.41Å; H100-Y102 PolarHBondContact O-N 2.99Å |
| 103 | R | 97.1 | Very high | 96.8 | Very high | 189 Ų | 189 | 87.7 Ų | 87.7 | 71% | 0.713 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -97.9 | -10.7 | -178.8 | -59.2 | -177.9 | 65.8 | 171.8 | -0.2 | 113.1 | H100 L101 | H100-R103 PolarHBondContact O-N 3.01Å; L101-R103 PolarHBondContact O-N 3.21Å; L101-R103 VanDerWaalsContact O-N 3.08Å |
| 104 | R | 96.7 | Very high | 96.8 | Very high | 42 Ų | 42 | 90.3 Ų | 90.3 | 16% | 0.158 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -96.6 | 147.4 | -169 | -68.6 | 175.8 | 178.5 | 167.8 | 2.2 | 110.3 | G96 R97 K99 L101 E108 L109 R112 | G96-R104 PolarHBondContact O-NH1 2.98Å; G96-R104 PolarHBondContact O-NH2 3.16Å; R97-R104 PolarHBondContact O-NH1 3.3Å; K99-R104 PolarHBondContact O-NE 3.38Å; K99-R104 PolarHBondContact O-NH1 2.82Å; K99-R104 PolarHBondContact O-NH2 3.35Å; L101-R104 PolarHBondContact O-N 3.35Å; L101-R104 VanDerWaalsContact O-N 3.14Å; R104-E108 HydrophobicContact CB-CB 4.4Å; R104-E108 IonicContact NE-OE1 3.59Å; R104-L109 HydrophobicContact CB-CD2 3.85Å; R104-L109 HydrophobicContact CB-CG 4.07Å; R104-R112 VanDerWaalsContact CZ-CD 3.5Å |
| 105 | S | 97.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 92 Ų | 92 | 44% | 0.441 | 46% | 0.462 | S | S | . | . | trans | -69.8 | 156.1 | 168.7 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | S107 E108 L109 | S105-S107 VanDerWaalsContact C-N 3.27Å; S105-S107 PolarHBondContact O-N 2.86Å; S105-S107 PolarHBondContact OG-OG 2.81Å; S105-E108 PolarHBondContact O-N 2.99Å; S105-E108 PolarHBondContact OG-N 3.29Å; S105-L109 WeakPolarHBondContact O-CG 3.42Å; S105-L109 PolarHBondContact O-N 3.35Å | ||
| 106 | E | 97.7 | Very high | 96.9 | Very high | 121 Ų | 121 | 89.8 Ų | 89.8 | 57% | 0.565 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.3 | -40.1 | 177.1 | -172.1 | 53.8 | -142.2 | 0 | 0 | 112.4 | E108 L109 N110 | E106-E108 VanDerWaalsContact C-N 3.3Å; E106-E108 PolarHBondContact O-N 3.23Å; E106-L109 WeakPolarHBondContact O-CB 2.78Å; E106-L109 PolarHBondContact O-N 2.92Å; E106-N110 PolarHBondContact O-N 2.91Å; E106-N110 PolarHBondContact O-ND2 2.84Å; E106-N110 PolarHBondContact OE1-ND2 3.36Å |
| 107 | S | 97.7 | Very high | 96.9 | Very high | 87 Ų | 87 | 93 Ų | 93 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.7 | -37.7 | 174.8 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | S105 R111 | S105-S107 VanDerWaalsContact C-N 3.27Å; S105-S107 PolarHBondContact O-N 2.86Å; S105-S107 PolarHBondContact OG-OG 2.81Å; S107-R111 WeakPolarHBondContact O-CB 3.46Å; S107-R111 PolarHBondContact O-N 3.33Å |
| 108 | E | 97.3 | Very high | 97 | Very high | 57 Ų | 57 | 89.4 Ų | 89.4 | 27% | 0.266 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.7 | -38.2 | 176 | -174.1 | 177.4 | 159.7 | 0 | 0 | 111.5 | R104 S105 E106 R111 R112 | R104-E108 HydrophobicContact CB-CB 4.4Å; R104-E108 IonicContact NE-OE1 3.59Å; S105-E108 PolarHBondContact O-N 2.99Å; S105-E108 PolarHBondContact OG-N 3.29Å; E106-E108 VanDerWaalsContact C-N 3.3Å; E106-E108 PolarHBondContact O-N 3.23Å; E108-R111 PolarHBondContact O-N 3.34Å; E108-R112 HydrophobicContact CG-CG 4.31Å; E108-R112 WeakPolarHBondContact O-CB 3.3Å; E108-R112 WeakPolarHBondContact O-CG 3.34Å; E108-R112 PolarHBondContact O-N 3.13Å; E108-R112 IonicContact OE1-CZ 3.27Å; E108-R112 VanDerWaalsContact OE1-CZ 3.27Å; E108-R112 IonicContact OE1-NE 2.75Å; E108-R112 PolarHBondContact OE1-NE 3.38Å; E108-R112 IonicContact OE1-NH2 2.88Å; E108-R112 PolarHBondContact OE1-NH2 2.97Å |
| 109 | L | 97.4 | Very high | 97 | Very high | 38 Ų | 38 | 91 Ų | 91 | 20% | 0.199 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 176.1 | -67.8 | 177.2 | 0 | 0 | 0 | 111.4 | L101 R104 S105 E106 R112 S113 | L101-L109 HydrophobicContact CB-CD2 4.35Å; L101-L109 HydrophobicContact CD2-CD2 3.75Å; R104-L109 HydrophobicContact CB-CD2 3.85Å; R104-L109 HydrophobicContact CB-CG 4.07Å; S105-L109 WeakPolarHBondContact O-CG 3.42Å; S105-L109 PolarHBondContact O-N 3.35Å; E106-L109 WeakPolarHBondContact O-CB 2.78Å; E106-L109 PolarHBondContact O-N 2.92Å; L109-R112 PolarHBondContact O-N 3.49Å; L109-S113 WeakPolarHBondContact O-CB 3.29Å; L109-S113 PolarHBondContact O-N 3.2Å; L109-S113 PolarHBondContact O-OG 2.99Å |
| 110 | N | 97.3 | Very high | 97 | Very high | 92 Ų | 92 | 94.6 Ų | 94.6 | 49% | 0.492 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.2 | -52.2 | 175.9 | -74.1 | -38.3 | 0 | 0 | 0 | 111.1 | E106 R112 S113 E114 | E106-N110 PolarHBondContact O-N 2.91Å; E106-N110 PolarHBondContact O-ND2 2.84Å; E106-N110 PolarHBondContact OE1-ND2 3.36Å; N110-R112 VanDerWaalsContact C-N 3.29Å; N110-R112 PolarHBondContact O-N 3.24Å; N110-S113 WeakPolarHBondContact O-CB 3.24Å; N110-S113 PolarHBondContact O-N 3.19Å; N110-E114 PolarHBondContact O-N 3.32Å |
| 111 | R | 97.4 | Very high | 97 | Very high | 116 Ų | 116 | 92.8 Ų | 92.8 | 44% | 0.438 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57 | -40.7 | 178 | -170.9 | -173.9 | 71.3 | 114.4 | 2.2 | 112.6 | R94 S107 E108 S113 E114 | R94-R111 WeakPolarHBondContact CD-O 3.25Å; R94-R111 PolarHBondContact NE-O 3.28Å; R94-R111 VanDerWaalsContact NH1-NH1 3.14Å; S107-R111 WeakPolarHBondContact O-CB 3.46Å; S107-R111 PolarHBondContact O-N 3.33Å; E108-R111 PolarHBondContact O-N 3.34Å; R111-S113 VanDerWaalsContact C-N 3.34Å; R111-E114 WeakPolarHBondContact O-CB 3.41Å |
| 112 | R | 97.2 | Very high | 96.9 | Very high | 56 Ų | 56 | 91.2 Ų | 91.2 | 21% | 0.211 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -75.5 | -22 | 179.8 | -77 | -171.9 | -173.1 | -91.9 | 1.5 | 113.7 | S95 R97 R104 E108 L109 N110 E114 | S95-R112 PolarHBondContact O-NH1 3.34Å; R97-R112 HydrophobicContact CB-CB 4.26Å; R97-R112 VanDerWaalsContact CB-O 3.25Å; R97-R112 WeakPolarHBondContact CB-O 3.22Å; R104-R112 VanDerWaalsContact CZ-CD 3.5Å; E108-R112 HydrophobicContact CG-CG 4.31Å; E108-R112 WeakPolarHBondContact O-CB 3.3Å; E108-R112 WeakPolarHBondContact O-CG 3.34Å; E108-R112 PolarHBondContact O-N 3.13Å; E108-R112 IonicContact OE1-CZ 3.27Å; E108-R112 VanDerWaalsContact OE1-CZ 3.27Å; E108-R112 IonicContact OE1-NE 2.75Å; E108-R112 PolarHBondContact OE1-NE 3.38Å; E108-R112 IonicContact OE1-NH2 2.88Å; E108-R112 PolarHBondContact OE1-NH2 2.97Å; L109-R112 PolarHBondContact O-N 3.49Å; N110-R112 VanDerWaalsContact C-N 3.29Å; N110-R112 PolarHBondContact O-N 3.24Å; R112-E114 VanDerWaalsContact C-N 3.26Å |
| 113 | S | 96.4 | Very high | 96.9 | Very high | 54 Ų | 54 | 83.3 Ų | 83.3 | 38% | 0.378 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -75.8 | -18.3 | 178.4 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | R97 L109 N110 R111 | R97-S113 PolarHBondContact NH1-O 3.43Å; R97-S113 PolarHBondContact NH2-O 2.81Å; L109-S113 WeakPolarHBondContact O-CB 3.29Å; L109-S113 PolarHBondContact O-N 3.2Å; L109-S113 PolarHBondContact O-OG 2.99Å; N110-S113 WeakPolarHBondContact O-CB 3.24Å; N110-S113 PolarHBondContact O-N 3.19Å; R111-S113 VanDerWaalsContact C-N 3.34Å |
| 114 | E | 97.2 | Very high | 96.7 | Very high | 92 Ų | 92 | 81 Ų | 81 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -61.4 | 143.5 | 175.7 | -63.7 | 165.5 | -170.4 | 0 | 0 | 113.1 | R94 N110 R111 R112 | R94-E114 IonicContact CZ-OE2 3.27Å; R94-E114 IonicContact NE-OE2 2.72Å; R94-E114 IonicContact NH2-OE2 2.93Å; R94-E114 PolarHBondContact NH2-OE2 3.05Å; N110-E114 PolarHBondContact O-N 3.32Å; R111-E114 WeakPolarHBondContact O-CB 3.41Å; R112-E114 VanDerWaalsContact C-N 3.26Å |
| 115 | H | 97 | Very high | 96.6 | Very high | 94 Ų | 94 | 83.8 Ų | 83.8 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.4 | 162.5 | -64.7 | 131 | 0 | 0 | 0 | 109.7 | I91 H92 R97 Y145 | I91-H115 HydrophobicContact CG2-CB 3.63Å; H92-H115 WeakPolarHBondContact O-CA 3.48Å; R97-H115 PolarHBondContact NH1-NE2 3Å; H115-Y145 PolarHBondContact CE1-OH 2.97Å; H115-Y145 PolarHBondContact ND1-OH 3.09Å |
| 116 | I | 97 | Very high | 96.4 | Very high | 54 Ų | 54 | 80.9 Ų | 80.9 | 28% | 0.277 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 155.3 | -177.9 | 61 | 166.3 | 0 | 0 | 0 | 110.9 | H92 R94 | H92-I116 PolarHBondContact N-O 3.15Å; H92-I116 PolarHBondContact O-N 2.99Å; R94-I116 HydrophobicContact CG-CD1 3.91Å; R94-I116 HydrophobicContact CG-CG1 4.09Å; R94-I116 HydrophobicContact CG-CG2 4Å |
| 117 | L | 96.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 77 Ų | 77 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 148.1 | 172 | -68.5 | 170.8 | 0 | 0 | 0 | 111 | L85 W87 A89 Y90 I91 | L85-L117 HydrophobicContact CD1-CD2 4.08Å; W87-L117 HydrophobicContact CH2-CD1 4.34Å; W87-L117 HydrophobicContact CH2-CD2 4.44Å; W87-L117 HydrophobicContact CZ2-CD1 4.28Å; W87-L117 HydrophobicContact CZ2-CD2 4.14Å; A89-L117 HydrophobicContact CB-CD2 4.05Å; Y90-L117 WeakPolarHBondContact O-CA 3.46Å; I91-L117 HydrophobicContact CG1-CD2 3.78Å |
| 118 | T | 97.1 | Very high | 95.9 | Very high | 18 Ų | 18 | 77 Ų | 77 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 147.1 | 173.4 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | F82 Y90 T122 T123 I126 | F82-T118 HydrophobicContact CD1-CG2 3.83Å; F82-T118 HydrophobicContact CE1-CG2 3.72Å; Y90-T118 PolarHBondContact O-N 3.49Å; Y90-T118 PolarHBondContact O-OG1 3.27Å; T118-T122 HydrophobicContact CG2-CG2 4.06Å; T118-T123 PolarHBondContact OG1-OG1 3.36Å; T118-I126 HydrophobicContact CG2-CD1 4.25Å |
| 119 | N | 96.3 | Very high | 95.7 | Very high | 116 Ų | 116 | 76.6 Ų | 76.6 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 156.5 | 166.9 | -172.7 | 4.5 | 0 | 0 | 0 | 110.5 | A121 T122 T123 | N119-A121 VanDerWaalsContact C-N 3.32Å; N119-A121 PolarHBondContact O-N 3.42Å; N119-T122 WeakPolarHBondContact O-CB 3.48Å; N119-T122 PolarHBondContact O-N 3.43Å; N119-T122 VanDerWaalsContact O-N 3.11Å; N119-T123 PolarHBondContact O-N 3.26Å; N119-T123 PolarHBondContact O-OG1 3.2Å |
| 120 | R | 96 | Very high | 95.4 | Very high | 217 Ų | 217 | 75.2 Ų | 75.2 | 82% | 0.819 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -50.8 | -45.1 | 177.8 | -174 | 179.6 | -175.6 | -176.5 | 1.5 | 113.2 | T122 T123 F124 | R120-T122 VanDerWaalsContact C-N 3.35Å; R120-T122 PolarHBondContact O-N 3Å; R120-T123 WeakPolarHBondContact O-CB 3.32Å; R120-T123 PolarHBondContact O-N 2.85Å; R120-F124 PolarHBondContact O-N 2.95Å |
| 121 | A | 96.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 71.7 Ų | 71.7 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | N119 F124 L125 | N119-A121 VanDerWaalsContact C-N 3.32Å; N119-A121 PolarHBondContact O-N 3.42Å; A121-F124 WeakPolarHBondContact O-CB 3.3Å; A121-F124 PolarHBondContact O-N 3.19Å; A121-L125 PolarHBondContact O-N 3.5Å |
| 122 | T | 95.4 | Very high | 94.8 | Very high | 54 Ų | 54 | 74.1 Ų | 74.1 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 176.9 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | T118 N119 R120 F124 L125 I126 | T118-T122 HydrophobicContact CG2-CG2 4.06Å; N119-T122 WeakPolarHBondContact O-CB 3.48Å; N119-T122 PolarHBondContact O-N 3.43Å; N119-T122 VanDerWaalsContact O-N 3.11Å; R120-T122 VanDerWaalsContact C-N 3.35Å; R120-T122 PolarHBondContact O-N 3Å; T122-F124 VanDerWaalsContact C-N 3.28Å; T122-F124 PolarHBondContact O-N 3.21Å; T122-L125 WeakPolarHBondContact O-CB 3.44Å; T122-L125 PolarHBondContact O-N 2.93Å; T122-I126 HydrophobicContact CG2-CD1 3.92Å; T122-I126 HydrophobicContact CG2-CG1 4.46Å; T122-I126 VanDerWaalsContact O-CG1 3.29Å; T122-I126 WeakPolarHBondContact O-CG1 3.33Å; T122-I126 PolarHBondContact O-N 2.74Å |
| 123 | T | 95.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 78 Ų | 78 | 14% | 0.135 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57 | -43.2 | 173.5 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | G88 Y90 T118 N119 R120 I126 N127 | G88-T123 VanDerWaalsContact O-CG2 3.25Å; G88-T123 WeakPolarHBondContact O-CG2 3.46Å; Y90-T123 HydrophobicContact CD2-CG2 3.9Å; Y90-T123 HydrophobicContact CE2-CG2 3.87Å; T118-T123 PolarHBondContact OG1-OG1 3.36Å; N119-T123 PolarHBondContact O-N 3.26Å; N119-T123 PolarHBondContact O-OG1 3.2Å; R120-T123 WeakPolarHBondContact O-CB 3.32Å; R120-T123 PolarHBondContact O-N 2.85Å; T123-I126 PolarHBondContact O-N 2.98Å; T123-N127 VanDerWaalsContact O-CG 3.27Å; T123-N127 PolarHBondContact O-N 2.84Å; T123-N127 PolarHBondContact O-ND2 3.17Å; T123-N127 VanDerWaalsContact O-ND2 3.14Å |
| 124 | F | 94.1 | Very high | 94.5 | Very high | 140 Ų | 140 | 79.6 Ų | 79.6 | 61% | 0.614 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.8 | -47.5 | 175.8 | 178.1 | -99.2 | 0 | 0 | 0 | 111.9 | R120 A121 T122 I126 N127 N128 | R120-F124 PolarHBondContact O-N 2.95Å; A121-F124 WeakPolarHBondContact O-CB 3.3Å; A121-F124 PolarHBondContact O-N 3.19Å; T122-F124 VanDerWaalsContact C-N 3.28Å; T122-F124 PolarHBondContact O-N 3.21Å; F124-I126 PolarHBondContact O-N 2.89Å; F124-N127 WeakPolarHBondContact O-CB 3.11Å; F124-N127 PolarHBondContact O-N 3.45Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.41Å; F124-N128 PolarHBondContact O-N 2.98Å; F124-N128 PolarHBondContact O-ND2 3.09Å |
| 125 | L | 93.9 | Very high | 94.3 | Very high | 101 Ų | 101 | 79.9 Ų | 79.9 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.7 | -50.2 | 176.2 | 179.9 | 68.2 | 0 | 0 | 0 | 111.9 | A121 T122 N127 N128 L129 | A121-L125 PolarHBondContact O-N 3.5Å; T122-L125 WeakPolarHBondContact O-CB 3.44Å; T122-L125 PolarHBondContact O-N 2.93Å; L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 PolarHBondContact O-N 2.72Å; L125-N128 WeakPolarHBondContact O-CB 3.47Å; L125-N128 PolarHBondContact O-N 3.21Å; L125-N128 VanDerWaalsContact O-N 3.08Å; L125-L129 HydrophobicContact CG-CD1 4.27Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.35Å |
| 126 | I | 94.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.7 | -38.7 | -178.7 | -63.5 | 162.7 | 0 | 0 | 0 | 111.2 | F82 Y90 T118 T122 T123 F124 N128 L129 L130 | F82-I126 HydrophobicContact CB-CD1 4.36Å; F82-I126 HydrophobicContact CD1-CD1 3.62Å; F82-I126 HydrophobicContact CD2-CD1 3.84Å; F82-I126 HydrophobicContact CD2-CG1 4.29Å; F82-I126 HydrophobicContact CE1-CD1 3.79Å; F82-I126 HydrophobicContact CE2-CD1 3.98Å; F82-I126 HydrophobicContact CE2-CG1 4.33Å; F82-I126 HydrophobicContact CG-CD1 3.68Å; F82-I126 HydrophobicContact CZ-CD1 3.96Å; Y90-I126 HydrophobicContact CD1-CD1 4.42Å; Y90-I126 HydrophobicContact CD1-CG2 3.91Å; Y90-I126 HydrophobicContact CD2-CB 4.3Å; Y90-I126 HydrophobicContact CD2-CD1 4.03Å; Y90-I126 HydrophobicContact CD2-CG2 4.28Å; Y90-I126 HydrophobicContact CE1-CB 4.42Å; Y90-I126 HydrophobicContact CE1-CG2 3.43Å; Y90-I126 VanDerWaalsContact CE1-CG2 3.43Å; Y90-I126 HydrophobicContact CE2-CB 3.99Å; Y90-I126 HydrophobicContact CE2-CG2 3.87Å; Y90-I126 HydrophobicContact CG-CD1 3.95Å; Y90-I126 HydrophobicContact CG-CG2 4.3Å; Y90-I126 VanDerWaalsContact CZ-CG2 3.42Å; T118-I126 HydrophobicContact CG2-CD1 4.25Å; T122-I126 HydrophobicContact CG2-CD1 3.92Å; T122-I126 HydrophobicContact CG2-CG1 4.46Å; T122-I126 VanDerWaalsContact O-CG1 3.29Å; T122-I126 WeakPolarHBondContact O-CG1 3.33Å; T122-I126 PolarHBondContact O-N 2.74Å; T123-I126 PolarHBondContact O-N 2.98Å; F124-I126 PolarHBondContact O-N 2.89Å; I126-N128 PolarHBondContact O-N 2.84Å; I126-L129 PolarHBondContact O-N 2.75Å; I126-L129 VanDerWaalsContact O-N 3.1Å; I126-L130 HydrophobicContact CG2-CD1 3.67Å; I126-L130 HydrophobicContact CG2-CG 4.03Å; I126-L130 WeakPolarHBondContact O-CG 3.47Å; I126-L130 PolarHBondContact O-N 2.88Å |
| 127 | N | 93.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 79.8 Ų | 79.8 | 21% | 0.214 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.4 | -31.3 | 176.8 | -78.3 | -33.6 | 0 | 0 | 0 | 113.1 | R84 Y90 T123 F124 L125 | R84-N127 PolarHBondContact NH1-OD1 2.98Å; Y90-N127 PolarHBondContact OH-OD1 3.46Å; T123-N127 VanDerWaalsContact O-CG 3.27Å; T123-N127 PolarHBondContact O-N 2.84Å; T123-N127 PolarHBondContact O-ND2 3.17Å; T123-N127 VanDerWaalsContact O-ND2 3.14Å; F124-N127 WeakPolarHBondContact O-CB 3.11Å; F124-N127 PolarHBondContact O-N 3.45Å; L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 PolarHBondContact O-N 2.72Å |
| 128 | N | 90.6 | Very high | 94 | Very high | 85 Ų | 85 | 78.9 Ų | 78.9 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -78.5 | -34.1 | 176.7 | -63.4 | -25.2 | 0 | 0 | 0 | 111.5 | K62 F124 L125 I126 | K62-N128 WeakPolarHBondContact CD-O 3.12Å; K62-N128 WeakPolarHBondContact CE-O 3.2Å; K62-N128 PolarHBondContact NZ-O 2.82Å; F124-N128 WeakPolarHBondContact CE1-ND2 3.41Å; F124-N128 PolarHBondContact O-N 2.98Å; F124-N128 PolarHBondContact O-ND2 3.09Å; L125-N128 WeakPolarHBondContact O-CB 3.47Å; L125-N128 PolarHBondContact O-N 3.21Å; L125-N128 VanDerWaalsContact O-N 3.08Å; I126-N128 PolarHBondContact O-N 2.84Å |
| 129 | L | 92.1 | Very high | 93.9 | Very high | 50 Ų | 50 | 85.8 Ų | 85.8 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71 | -31.3 | 177.6 | -65.6 | 176.6 | 0 | 0 | 0 | 113.2 | K62 N75 A78 L125 I126 | K62-L129 VanDerWaalsContact CE-O 3.3Å; K62-L129 WeakPolarHBondContact CE-O 3.25Å; K62-L129 PolarHBondContact NZ-O 2.88Å; N75-L129 HydrophobicContact CB-CB 3.94Å; N75-L129 HydrophobicContact CB-CD2 4.3Å; N75-L129 PolarHBondContact N-O 2.97Å; A78-L129 HydrophobicContact CB-CB 4.36Å; A78-L129 HydrophobicContact CB-CD1 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.27Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.35Å; I126-L129 PolarHBondContact O-N 2.75Å; I126-L129 VanDerWaalsContact O-N 3.1Å |
| 130 | L | 92.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 86.1 Ų | 86.1 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -90.4 | 153 | -178.6 | -63.9 | 180 | 0 | 0 | 0 | 112.4 | K62 P74 A78 I79 Y90 I126 W134 R135 | K62-L130 VanDerWaalsContact NZ-C 3.32Å; K62-L130 PolarHBondContact NZ-O 3.41Å; P74-L130 HydrophobicContact CB-CD2 4.26Å; A78-L130 HydrophobicContact CB-CD2 4Å; I79-L130 HydrophobicContact CD1-CD2 4.48Å; I79-L130 HydrophobicContact CG1-CD2 3.72Å; Y90-L130 HydrophobicContact CE1-CD1 3.81Å; I126-L130 HydrophobicContact CG2-CD1 3.67Å; I126-L130 HydrophobicContact CG2-CG 4.03Å; I126-L130 WeakPolarHBondContact O-CG 3.47Å; I126-L130 PolarHBondContact O-N 2.88Å; L130-W134 HydrophobicContact CB-CB 4.24Å; L130-W134 HydrophobicContact CD1-CB 4.44Å; L130-W134 HydrophobicContact CD2-CB 4.35Å; L130-R135 HydrophobicContact CB-CG 4.37Å |
| 131 | N | 91.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 81.3 Ų | 81.3 | 10% | 0.096 | 40% | 0.403 | C | S | . | . | trans | -85.9 | 177.8 | 174.4 | 75.7 | 15 | 0 | 0 | 0 | 111.1 | N72 Q133 W134 R135 | N72-N131 HydrophobicContact CB-CB 4.47Å; N72-N131 VanDerWaalsContact O-CB 3.24Å; N72-N131 WeakPolarHBondContact O-CB 3.03Å; N72-N131 PolarHBondContact O-ND2 3.17Å; N131-Q133 WeakPolarHBondContact OD1-CA 3.05Å; N131-Q133 WeakPolarHBondContact OD1-CB 3.41Å; N131-Q133 PolarHBondContact OD1-N 2.88Å; N131-W134 PolarHBondContact OD1-N 2.87Å; N131-R135 VanDerWaalsContact O-CG 3.29Å; N131-R135 WeakPolarHBondContact O-CG 3.34Å; N131-R135 PolarHBondContact O-NE 3.34Å | ||
| 132 | K | 91.3 | Very high | 93.9 | Very high | 166 Ų | 166 | 85.9 Ų | 85.9 | 72% | 0.722 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 178.2 | -173.3 | 178.7 | 177.1 | -177.1 | 0 | 112.4 | W134 R135 T136 | K132-W134 VanDerWaalsContact C-N 3.34Å; K132-W134 PolarHBondContact O-N 3.21Å; K132-R135 WeakPolarHBondContact O-CA 3.38Å; K132-R135 WeakPolarHBondContact O-CB 3.37Å; K132-R135 PolarHBondContact O-N 3.16Å; K132-T136 PolarHBondContact O-N 3.47Å; K132-T136 PolarHBondContact O-OG1 3.19Å |
| 133 | Q | 92.3 | Very high | 93.8 | Very high | 138 Ų | 138 | 84.6 Ų | 84.6 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.8 | -40 | -178.6 | -177.6 | -173 | -8 | 0 | 0 | 113 | N131 R135 T136 | N131-Q133 WeakPolarHBondContact OD1-CA 3.05Å; N131-Q133 WeakPolarHBondContact OD1-CB 3.41Å; N131-Q133 PolarHBondContact OD1-N 2.88Å; Q133-R135 PolarHBondContact O-N 3.24Å; Q133-T136 PolarHBondContact O-N 3.05Å |
| 134 | W | 93.4 | Very high | 93.8 | Very high | 88 Ų | 88 | 89.7 Ų | 89.7 | 33% | 0.333 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72 | -17.3 | 176.2 | -72.7 | 102 | 0 | 0 | 0 | 113.8 | P74 I79 L130 N131 K132 | P74-W134 VanDerWaalsContact CB-CD1 3.43Å; P74-W134 HydrophobicContact CB-CG 4.38Å; P74-W134 VanDerWaalsContact CG-NE1 3.32Å; I79-W134 HydrophobicContact CD1-CD2 3.86Å; I79-W134 HydrophobicContact CD1-CE3 4.33Å; I79-W134 HydrophobicContact CD1-CG 4.36Å; I79-W134 HydrophobicContact CD1-CH2 4Å; I79-W134 HydrophobicContact CD1-CZ2 3.5Å; I79-W134 VanDerWaalsContact CD1-CZ2 3.5Å; I79-W134 HydrophobicContact CD1-CZ3 4.39Å; I79-W134 HydrophobicContact CG1-CD2 4Å; I79-W134 HydrophobicContact CG1-CE3 4.12Å; I79-W134 HydrophobicContact CG1-CG 4.49Å; I79-W134 HydrophobicContact CG1-CH2 4.36Å; I79-W134 HydrophobicContact CG1-CZ2 4.26Å; I79-W134 HydrophobicContact CG1-CZ3 4.29Å; I79-W134 HydrophobicContact CG2-CE3 4.24Å; I79-W134 HydrophobicContact CG2-CH2 3.66Å; I79-W134 HydrophobicContact CG2-CZ2 4.29Å; I79-W134 HydrophobicContact CG2-CZ3 3.63Å; L130-W134 HydrophobicContact CB-CB 4.24Å; L130-W134 HydrophobicContact CD1-CB 4.44Å; L130-W134 HydrophobicContact CD2-CB 4.35Å; N131-W134 PolarHBondContact OD1-N 2.87Å; K132-W134 VanDerWaalsContact C-N 3.34Å; K132-W134 PolarHBondContact O-N 3.21Å |
| 135 | R | 93.7 | Very high | 93.9 | Very high | 97 Ų | 97 | 85.1 Ų | 85.1 | 37% | 0.366 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -91.1 | -18.3 | -179.5 | -65.1 | -170.5 | -72.5 | 159.4 | -1.3 | 113.1 | R84 L130 N131 K132 Q133 | R84-R135 PolarHBondContact NE-O 3.08Å; R84-R135 VanDerWaalsContact NE-O 3.13Å; R84-R135 PolarHBondContact NH2-O 3.35Å; L130-R135 HydrophobicContact CB-CG 4.37Å; N131-R135 VanDerWaalsContact O-CG 3.29Å; N131-R135 WeakPolarHBondContact O-CG 3.34Å; N131-R135 PolarHBondContact O-NE 3.34Å; K132-R135 WeakPolarHBondContact O-CA 3.38Å; K132-R135 WeakPolarHBondContact O-CB 3.37Å; K132-R135 PolarHBondContact O-N 3.16Å; Q133-R135 PolarHBondContact O-N 3.24Å |
| 136 | T | 94.8 | Very high | 93.9 | Very high | 75 Ų | 75 | 83.5 Ų | 83.5 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -61.5 | 134 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | K132 Q133 | K132-T136 PolarHBondContact O-N 3.47Å; K132-T136 PolarHBondContact O-OG1 3.19Å; Q133-T136 PolarHBondContact O-N 3.05Å |
| 137 | P | 95.3 | Very high | 93.9 | Very high | 72 Ų | 72 | 88.1 Ų | 88.1 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | trans | -62.1 | 139.5 | 176.2 | 27.3 | -35.3 | 0 | 0 | 0 | 110.8 | R86 Y139 | R86-P137 HydrophobicContact CG-CB 3.93Å; P137-Y139 HydrophobicContact CB-CE2 4.45Å | ||
| 138 | K | 94 | Very high | 94 | Very high | 78 Ų | 78 | 93.1 Ų | 93.1 | 34% | 0.339 | 45% | 0.451 | S | S | . | . | trans | -119.9 | 151.6 | 177.2 | -56.4 | -172.2 | -173.6 | 177.9 | 0 | 110.1 | R86 Y140 | R86-K138 PolarHBondContact NH2-O 2.99Å; K138-Y140 HydrophobicContact CB-CD2 4.23Å; K138-Y140 HydrophobicContact CB-CE2 3.64Å; K138-Y140 HydrophobicContact CD-CE2 3.93Å; K138-Y140 WeakPolarHBondContact CD-OH 3.44Å; K138-Y140 HydrophobicContact CG-CE2 4.43Å | ||
| 139 | Y | 95.7 | Very high | 94.2 | Very high | 163 Ų | 163 | 89.7 Ų | 89.7 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | trans | -126.4 | 108 | 179.8 | -61.2 | -95.6 | 0 | 0 | 0 | 106.9 | P137 | P137-Y139 HydrophobicContact CB-CE2 4.45Š| ||
| 140 | Y | 95.6 | Very high | 94 | Very high | 124 Ų | 124 | 94.4 Ų | 94.4 | 49% | 0.486 | 45% | 0.452 | S | S | . | . | trans | -110 | 141.6 | -180 | -64.1 | -68 | 0 | 0 | 0 | 109.3 | K138 N142 | K138-Y140 HydrophobicContact CB-CD2 4.23Å; K138-Y140 HydrophobicContact CB-CE2 3.64Å; K138-Y140 HydrophobicContact CD-CE2 3.93Å; K138-Y140 WeakPolarHBondContact CD-OH 3.44Å; K138-Y140 HydrophobicContact CG-CE2 4.43Å; Y140-N142 PolarHBondContact O-N 3.45Å | ||
| 141 | P | 96.4 | Very high | 93.9 | Very high | 115 Ų | 115 | 99 Ų | 99 | 75% | 0.747 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 135.3 | 170.3 | 27.4 | -32.8 | 0 | 0 | 0 | 109.3 | D143 | P141-D143 PolarHBondContact O-N 3.35Š|
| 142 | N | 95.7 | Very high | 93.6 | Very high | 165 Ų | 165 | 103.4 Ų | 103.4 | 88% | 0.882 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 34 | 177.4 | -51.7 | -38.7 | 0 | 0 | 0 | 115.5 | Y140 I144 | Y140-N142 PolarHBondContact O-N 3.45Å; N142-I144 PolarHBondContact O-N 3.27Å |
| 143 | D | 94.2 | Very high | 93.2 | Very high | 27 Ų | 27 | 98.3 Ų | 98.3 | 14% | 0.144 | 49% | 0.491 | C | S | . | . | trans | -69.8 | 116.1 | 173 | -167.6 | -8.5 | 0 | 0 | 0 | 111 | K83 P141 Y145 E146 H149 | K83-D143 IonicContact NZ-OD1 3.51Å; K83-D143 IonicContact NZ-OD2 2.74Å; K83-D143 PolarHBondContact NZ-OD2 3.18Å; P141-D143 PolarHBondContact O-N 3.35Å; D143-Y145 PolarHBondContact O-N 3.36Å; D143-Y145 VanDerWaalsContact O-N 3.09Å; D143-Y145 PolarHBondContact OD1-N 3.36Å; D143-E146 HydrophobicContact CB-CB 4.39Å; D143-E146 WeakPolarHBondContact O-CB 3.25Å; D143-E146 PolarHBondContact O-N 3.27Å; D143-E146 VanDerWaalsContact O-N 3.09Å; D143-H149 IonicContact OD2-CE1 3.59Å | ||
| 144 | I | 95.7 | Very high | 92.7 | Very high | 129 Ų | 129 | 93 Ų | 93 | 66% | 0.662 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.9 | 175.5 | 64.7 | 174.1 | 0 | 0 | 0 | 113 | N142 | N142-I144 PolarHBondContact O-N 3.27Š|
| 145 | Y | 96.1 | Very high | 92 | Very high | 44 Ų | 44 | 93.5 Ų | 93.5 | 17% | 0.173 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -2.6 | -179 | -64.7 | -72.1 | 0 | 0 | 0 | 114.3 | K83 I91 H115 D143 P147 Y148 | K83-Y145 HydrophobicContact CD-CD2 4.48Å; K83-Y145 HydrophobicContact CG-CD2 4.35Å; I91-Y145 HydrophobicContact CD1-CD1 3.93Å; I91-Y145 HydrophobicContact CD1-CE1 4.16Å; I91-Y145 HydrophobicContact CG2-CE1 4.5Å; H115-Y145 PolarHBondContact CE1-OH 2.97Å; H115-Y145 PolarHBondContact ND1-OH 3.09Å; D143-Y145 PolarHBondContact O-N 3.36Å; D143-Y145 VanDerWaalsContact O-N 3.09Å; D143-Y145 PolarHBondContact OD1-N 3.36Å; Y145-P147 VanDerWaalsContact C-CD 3.44Å; Y145-Y148 HydrophobicContact CD1-CD2 4.21Å; Y145-Y148 PolarHBondContact O-N 3.45Å |
| 146 | E | 94.8 | Very high | 91.2 | Very high | 68 Ų | 68 | 95.8 Ų | 95.8 | 32% | 0.318 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -53.4 | -43.3 | -173.4 | -171.5 | 62.9 | -172.7 | 0 | 0 | 114.4 | R86 D143 Y148 H149 | R86-E146 IonicContact CZ-OE1 3.67Å; R86-E146 VanDerWaalsContact CZ-OE1 3.27Å; R86-E146 IonicContact CZ-OE2 3.51Å; R86-E146 IonicContact NH1-OE1 2.81Å; R86-E146 PolarHBondContact NH1-OE1 2.85Å; R86-E146 IonicContact NH1-OE2 3.59Å; R86-E146 VanDerWaalsContact NH2-CD 3.3Å; R86-E146 IonicContact NH2-OE1 3.77Å; R86-E146 PolarHBondContact NH2-OE1 3.14Å; R86-E146 IonicContact NH2-OE2 2.82Å; R86-E146 PolarHBondContact NH2-OE2 3.38Å; D143-E146 HydrophobicContact CB-CB 4.39Å; D143-E146 WeakPolarHBondContact O-CB 3.25Å; D143-E146 PolarHBondContact O-N 3.27Å; D143-E146 VanDerWaalsContact O-N 3.09Å; E146-Y148 PolarHBondContact O-N 3.43Å; E146-H149 WeakPolarHBondContact O-CB 3.33Å; E146-H149 PolarHBondContact O-N 3.32Å; E146-H149 IonicContact OE2-CE1 3.59Å; E146-H149 PolarHBondContact OE2-CE1 3.28Å; E146-H149 IonicContact OE2-ND1 2.84Å; E146-H149 PolarHBondContact OE2-ND1 3.18Å |
| 147 | P | 93.8 | Very high | 90.3 | Very high | 100 Ų | 100 | 94.1 Ų | 94.1 | 65% | 0.649 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -61.3 | -26.6 | 178.2 | -24 | 35.5 | 0 | 0 | 0 | 114.1 | Y145 H149 | Y145-P147 VanDerWaalsContact C-CD 3.44Å; P147-H149 VanDerWaalsContact C-N 3.33Å |
| 148 | Y | 94.9 | Very high | 88.8 | Confident | 145 Ų | 145 | 99.5 Ų | 99.5 | 57% | 0.569 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -86.8 | -2.7 | -176.3 | -53 | -73.5 | 0 | 0 | 0 | 113.6 | W87 Y145 E146 Q150 | W87-Y148 PolarHBondContact NE1-O 3Å; Y145-Y148 HydrophobicContact CD1-CD2 4.21Å; Y145-Y148 PolarHBondContact O-N 3.45Å; E146-Y148 PolarHBondContact O-N 3.43Å; Y148-Q150 VanDerWaalsContact C-N 3.28Å |
| 149 | H | 94.6 | Very high | 87.6 | Confident | 12 Ų | 12 | 99.3 Ų | 99.3 | 6% | 0.056 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -72.7 | -21.4 | 177.3 | -74 | 136.4 | 0 | 0 | 0 | 113.4 | R86 D143 E146 P147 | R86-H149 HydrophobicContact CB-CB 4.12Å; R86-H149 HydrophobicContact CG-CB 3.86Å; R86-H149 PolarHBondContact N-CD2 3.14Å; D143-H149 IonicContact OD2-CE1 3.59Å; E146-H149 WeakPolarHBondContact O-CB 3.33Å; E146-H149 PolarHBondContact O-N 3.32Å; E146-H149 IonicContact OE2-CE1 3.59Å; E146-H149 PolarHBondContact OE2-CE1 3.28Å; E146-H149 IonicContact OE2-ND1 2.84Å; E146-H149 PolarHBondContact OE2-ND1 3.18Å; P147-H149 VanDerWaalsContact C-N 3.33Å |
| 150 | Q | 89.2 | Confident | 86.2 | Confident | 150 Ų | 150 | 97.1 Ų | 97.1 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -102.5 | 142.6 | 174.3 | -64 | -177.8 | -4.4 | 0 | 0 | 109.9 | Y148 | Y148-Q150 VanDerWaalsContact C-N 3.28Š|
| 151 | R | 88.5 | Confident | 84.8 | Confident | 106 Ų | 106 | 98.2 Ų | 98.2 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | trans | -109.1 | 106.9 | 172.7 | -167.8 | -167.8 | -66.2 | -172.6 | -4.4 | 108.1 | W87 V154 W156 | W87-R151 VanDerWaalsContact CH2-NH2 3.26Å; R151-V154 HydrophobicContact CG-CG1 3.86Å; R151-W156 VanDerWaalsContact NH1-CZ2 3.34Å | ||
| 152 | T | 85.1 | Confident | 83.5 | Confident | 109 Ų | 109 | 101.7 Ų | 101.7 | 67% | 0.669 | 52% | 0.518 | S | S | * | . | trans | -94.4 | 153.4 | 176 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | V154 | T152-V154 VanDerWaalsContact C-N 3.35Å; T152-V154 PolarHBondContact O-N 3.19Å | ||
| 153 | G | 83.2 | Confident | 82.4 | Confident | 59 Ų | 59 | 99.6 Ų | 99.6 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 76.1 | 16.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D157 | G153-D157 PolarHBondContact N-OD2 3.19Š|
| 154 | V | 83 | Confident | 81.5 | Confident | 27 Ų | 27 | 105.4 Ų | 105.4 | 16% | 0.164 | 54% | 0.537 | C | S | . | . | trans | -78 | 148.3 | 167.9 | -77.2 | 0 | 0 | 0 | 0 | 111.3 | R151 T152 W156 D157 | R151-V154 HydrophobicContact CG-CG1 3.86Å; T152-V154 VanDerWaalsContact C-N 3.35Å; T152-V154 PolarHBondContact O-N 3.19Å; V154-W156 HydrophobicContact CB-CD2 3.92Å; V154-W156 HydrophobicContact CB-CE3 4.21Å; V154-W156 HydrophobicContact CB-CG 4.48Å; V154-W156 HydrophobicContact CB-CH2 4.2Å; V154-W156 HydrophobicContact CB-CZ2 3.91Å; V154-W156 HydrophobicContact CB-CZ3 4.33Å; V154-W156 HydrophobicContact CG1-CH2 4.04Å; V154-W156 HydrophobicContact CG1-CZ2 3.84Å; V154-W156 HydrophobicContact CG2-CD2 4.08Å; V154-W156 HydrophobicContact CG2-CG 4.21Å; V154-W156 HydrophobicContact CG2-CZ2 4.23Å; V154-W156 PolarHBondContact O-N 2.95Å; V154-D157 HydrophobicContact CG2-CB 3.84Å; V154-D157 WeakPolarHBondContact O-CB 3.19Å; V154-D157 PolarHBondContact O-N 3.31Å | ||
| 155 | P | 78.7 | Confident | 80.8 | Confident | 98 Ų | 98 | 108 Ų | 108 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.4 | -178.7 | -27.6 | 34.8 | 0 | 0 | 0 | 115.3 | ||
| 156 | W | 75.1 | Confident | 80.1 | Confident | 145 Ų | 145 | 113.5 Ų | 113.5 | 55% | 0.549 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | 12.1 | 176.1 | 61.2 | 86.8 | 0 | 0 | 0 | 113.3 | R151 V154 Y158 | R151-W156 VanDerWaalsContact NH1-CZ2 3.34Å; V154-W156 HydrophobicContact CB-CD2 3.92Å; V154-W156 HydrophobicContact CB-CE3 4.21Å; V154-W156 HydrophobicContact CB-CG 4.48Å; V154-W156 HydrophobicContact CB-CH2 4.2Å; V154-W156 HydrophobicContact CB-CZ2 3.91Å; V154-W156 HydrophobicContact CB-CZ3 4.33Å; V154-W156 HydrophobicContact CG1-CH2 4.04Å; V154-W156 HydrophobicContact CG1-CZ2 3.84Å; V154-W156 HydrophobicContact CG2-CD2 4.08Å; V154-W156 HydrophobicContact CG2-CG 4.21Å; V154-W156 HydrophobicContact CG2-CZ2 4.23Å; V154-W156 PolarHBondContact O-N 2.95Å; W156-Y158 VanDerWaalsContact C-N 3.3Å; W156-Y158 WeakPolarHBondContact O-CD2 3.45Å; W156-Y158 WeakPolarHBondContact O-CE2 3.49Å; W156-Y158 PolarHBondContact O-N 3.06Å |
| 157 | D | 76 | Confident | 79.3 | Confident | 41 Ų | 41 | 118.7 Ų | 118.7 | 22% | 0.219 | 61% | 0.609 | C | S | . | * | trans | -73.6 | 88.5 | 168.6 | -167.3 | -5.7 | 0 | 0 | 0 | 108.3 | G153 V154 G159 L160 | G153-D157 PolarHBondContact N-OD2 3.19Å; V154-D157 HydrophobicContact CG2-CB 3.84Å; V154-D157 WeakPolarHBondContact O-CB 3.19Å; V154-D157 PolarHBondContact O-N 3.31Å; D157-G159 PolarHBondContact O-N 3.01Å; D157-G159 PolarHBondContact OD1-N 2.94Å; D157-L160 HydrophobicContact CB-CD1 4.28Å; D157-L160 PolarHBondContact O-N 3.19Å; D157-L160 VanDerWaalsContact OD2-CD1 3.3Å; D157-L160 WeakPolarHBondContact OD2-CD1 3.49Å | ||
| 158 | Y | 64.5 | Low | 78.6 | Confident | 185 Ų | 185 | 119.7 Ų | 119.7 | 73% | 0.725 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -22.9 | -177 | -60.4 | -70.6 | 0 | 0 | 0 | 112.4 | W156 L160 R161 | W156-Y158 VanDerWaalsContact C-N 3.3Å; W156-Y158 WeakPolarHBondContact O-CD2 3.45Å; W156-Y158 WeakPolarHBondContact O-CE2 3.49Å; W156-Y158 PolarHBondContact O-N 3.06Å; Y158-L160 VanDerWaalsContact C-N 3.26Å; Y158-L160 PolarHBondContact O-N 2.99Å; Y158-R161 PolarHBondContact O-N 3.36Å |
| 159 | G | 68.1 | Low | 77.7 | Confident | 74 Ų | 74 | 118.3 Ų | 118.3 | 76% | 0.763 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -23.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D157 | D157-G159 PolarHBondContact O-N 3.01Å; D157-G159 PolarHBondContact OD1-N 2.94Å |
| 160 | L | 66.5 | Low | 76.8 | Confident | 116 Ų | 116 | 124.2 Ų | 124.2 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -22 | 178.3 | -65.3 | 174.7 | 0 | 0 | 0 | 112.9 | D157 Y158 K162 | D157-L160 HydrophobicContact CB-CD1 4.28Å; D157-L160 PolarHBondContact O-N 3.19Å; D157-L160 VanDerWaalsContact OD2-CD1 3.3Å; D157-L160 WeakPolarHBondContact OD2-CD1 3.49Å; Y158-L160 VanDerWaalsContact C-N 3.26Å; Y158-L160 PolarHBondContact O-N 2.99Å; L160-K162 PolarHBondContact O-N 3.46Å |
| 161 | R | 67 | Low | 76.1 | Confident | 147 Ų | 147 | 122.7 Ų | 122.7 | 56% | 0.555 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -82.7 | 101.6 | 176.5 | -69.8 | 178.2 | 68.8 | 161.7 | -2.5 | 108.4 | Y158 | Y158-R161 PolarHBondContact O-N 3.36Š|
| 162 | K | 68.4 | Low | 75.3 | Confident | 189 Ų | 189 | 123.8 Ų | 123.8 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | trans | -48.1 | 131.1 | 159.7 | -66.4 | -173.8 | 179.7 | -175.4 | 0 | 107.2 | L160 K164 | L160-K162 PolarHBondContact O-N 3.46Å; K162-K164 PolarHBondContact O-N 2.82Å | ||
| 163 | P | 72.5 | Confident | 74.6 | Confident | 121 Ų | 121 | 124.7 Ų | 124.7 | 79% | 0.786 | 65% | 0.649 | S | S | * | * | trans | -52.8 | 137.3 | 174.4 | 23.1 | -32.2 | 0 | 0 | 0 | 107.7 | F165 | P163-F165 PolarHBondContact O-N 3.08Š| ||
| 164 | K | 76 | Confident | 74 | Confident | 149 Ų | 149 | 129.4 Ų | 129.4 | 65% | 0.648 | 65% | 0.652 | S | S | * | * | trans | -61.9 | 111.5 | 170.8 | -69.2 | -177.5 | 177.2 | -173.8 | 0 | 105.9 | K162 F166 | K162-K164 PolarHBondContact O-N 2.82Å; K164-F166 HydrophobicContact CB-CD2 4.43Å; K164-F166 HydrophobicContact CB-CE1 4.37Å; K164-F166 HydrophobicContact CB-CE2 3.89Å; K164-F166 HydrophobicContact CB-CZ 3.86Å; K164-F166 HydrophobicContact CD-CE1 4.46Å; K164-F166 HydrophobicContact CD-CZ 4.05Å; K164-F166 WeakPolarHBondContact O-CD2 3.39Å; K164-F166 PolarHBondContact O-N 3.21Å | ||
| 165 | F | 80.5 | Confident | 73.3 | Confident | 184 Ų | 184 | 137.3 Ų | 137.3 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | trans | -67.9 | 109.6 | 165.4 | -178.7 | -96.2 | 0 | 0 | 0 | 105.9 | P163 | P163-F165 PolarHBondContact O-N 3.08Š| ||
| 166 | F | 81 | Confident | 72.9 | Confident | 158 Ų | 158 | 140.6 Ų | 140.6 | 69% | 0.693 | 69% | 0.694 | S | S | * | * | trans | -84.8 | 131.7 | 166.9 | -62.1 | -79.4 | 0 | 0 | 0 | 106.6 | K164 | K164-F166 HydrophobicContact CB-CD2 4.43Å; K164-F166 HydrophobicContact CB-CE1 4.37Å; K164-F166 HydrophobicContact CB-CE2 3.89Å; K164-F166 HydrophobicContact CB-CZ 3.86Å; K164-F166 HydrophobicContact CD-CE1 4.46Å; K164-F166 HydrophobicContact CD-CZ 4.05Å; K164-F166 WeakPolarHBondContact O-CD2 3.39Å; K164-F166 PolarHBondContact O-N 3.21Å | ||
| 167 | P | 79.3 | Confident | 72.7 | Confident | 178 Ų | 178 | 140.2 Ų | 140.2 | 100% | 1.156 | 71% | 0.707 | S | S | * | * | trans | -60.2 | 0 | 178.9 | 28.1 | -35.3 | 0 | 0 | 0 | 112.3 |
Retrieved 167 of 167 residues in 212.6 ms
(Link to these results)