| 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 | 37.1 | Very low | 50.9 | Low | 242 Ų | 242 | 170.3 Ų | 170.3 | 100% | 1.192 | 86% | 0.855 | S | S | * | * | 0 | 106.9 | 0 | -93.9 | 152.1 | 115.2 | 0 | 0 | 107.6 | |||||
| 2 | W | 41.3 | Very low | 51.9 | Low | 242 Ų | 242 | 164.9 Ų | 164.9 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | trans | -104.7 | 133.7 | 167.7 | -74.6 | 71.7 | 0 | 0 | 0 | 106.8 | ||||
| 3 | P | 55.5 | Low | 52.9 | Low | 120 Ų | 120 | 160.1 Ų | 160.1 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 141.8 | 178.6 | 32.1 | -29.9 | 0 | 0 | 0 | 110.3 | ||
| 4 | F | 45.6 | Very low | 54.4 | Low | 206 Ų | 206 | 155.8 Ų | 155.8 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 130.8 | 175.8 | -71.2 | -96.5 | 0 | 0 | 0 | 110.3 | ||
| 5 | L | 53.1 | Low | 54.8 | Low | 174 Ų | 174 | 156.6 Ų | 156.6 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 136.7 | 164.4 | -85.8 | 160 | 0 | 0 | 0 | 109.1 | ||
| 6 | N | 45.9 | Very low | 55.2 | Low | 145 Ų | 145 | 151.6 Ų | 151.6 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 145.9 | -176.1 | -74.4 | -19.9 | 0 | 0 | 0 | 114.6 | ||
| 7 | N | 50.7 | Low | 55.7 | Low | 155 Ų | 155 | 152.2 Ų | 152.2 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -98 | 20.6 | -174.1 | -130.8 | 14.8 | 0 | 0 | 0 | 113.4 | L9 | N7-L9 PolarHBondContact O-N 3.35Š| ||
| 8 | D | 56.8 | Low | 55.8 | Low | 142 Ų | 142 | 150.3 Ų | 150.3 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 7.8 | -166.7 | -66.4 | -35.2 | 0 | 0 | 0 | 115.3 | ||
| 9 | L | 56.2 | Low | 56 | Low | 152 Ų | 152 | 150.6 Ų | 150.6 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -4 | -177.7 | -118.9 | 94.6 | 0 | 0 | 0 | 116 | N7 | N7-L9 PolarHBondContact O-N 3.35Š|
| 10 | F | 55.7 | Low | 56.2 | Low | 178 Ų | 178 | 151.6 Ų | 151.6 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -139.5 | 97.2 | 177.6 | -75.5 | -83 | 0 | 0 | 0 | 110.7 | ||||
| 11 | P | 62.7 | Low | 56.3 | Low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -64.4 | 140.8 | 173.6 | 27 | -32.6 | 0 | 0 | 0 | 109.8 | ||||
| 12 | P | 62.9 | Low | 57.1 | Low | 106 Ų | 106 | 141.4 Ų | 141.4 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | trans | -62.7 | 145.7 | 175.5 | 27 | -33.7 | 0 | 0 | 0 | 110.1 | T14 | P12-T14 PolarHBondContact O-N 3.12Š| ||
| 13 | P | 64.4 | Low | 57.7 | Low | 102 Ų | 102 | 134.3 Ų | 134.3 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | trans | -61 | 111.1 | -177 | 24.4 | -32.8 | 0 | 0 | 0 | 110 | ||||
| 14 | T | 74.2 | Confident | 57.4 | Low | 100 Ų | 100 | 133.9 Ų | 133.9 | 61% | 0.613 | 72% | 0.716 | S | S | * | * | trans | -69 | 152.3 | 172.5 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | P12 A16 W17 | P12-T14 PolarHBondContact O-N 3.12Å; T14-A16 PolarHBondContact O-N 3.48Å; T14-W17 WeakPolarHBondContact O-CB 3.42Å; T14-W17 PolarHBondContact O-N 3.18Å | ||
| 15 | E | 60.1 | Low | 58 | Low | 168 Ų | 168 | 129.8 Ų | 129.8 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -51.2 | -25.9 | -179.5 | -69.5 | -177.1 | 151.3 | 0 | 0 | 114.4 | W17 L18 Q19 | E15-W17 VanDerWaalsContact C-N 3.25Å; E15-W17 PolarHBondContact O-N 3.43Å; E15-L18 PolarHBondContact O-N 2.9Å; E15-Q19 PolarHBondContact O-N 3.28Å |
| 16 | A | 61.1 | Low | 58.2 | Low | 77 Ų | 77 | 130.2 Ų | 130.2 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -61.8 | -27.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T14 | T14-A16 PolarHBondContact O-N 3.48Å |
| 17 | W | 63.3 | Low | 58.7 | Low | 162 Ų | 162 | 127.4 Ų | 127.4 | 61% | 0.614 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -74.4 | -37.2 | 177.4 | -166 | 83.3 | 0 | 0 | 0 | 111.6 | T14 E15 Q19 K20 V21 | T14-W17 WeakPolarHBondContact O-CB 3.42Å; T14-W17 PolarHBondContact O-N 3.18Å; E15-W17 VanDerWaalsContact C-N 3.25Å; E15-W17 PolarHBondContact O-N 3.43Å; W17-Q19 VanDerWaalsContact C-N 3.34Å; W17-Q19 PolarHBondContact O-N 2.64Å; W17-K20 PolarHBondContact O-N 3.27Å; W17-V21 HydrophobicContact CE3-CG2 4.37Å; W17-V21 HydrophobicContact CH2-CG2 4.21Å; W17-V21 HydrophobicContact CZ2-CG2 4.35Å; W17-V21 HydrophobicContact CZ3-CG2 4.22Å; W17-V21 PolarHBondContact O-N 3.5Å |
| 18 | L | 58.8 | Low | 58.8 | Low | 117 Ų | 117 | 128.9 Ų | 128.9 | 61% | 0.613 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -67.7 | -31.8 | 178.1 | -71.1 | 171.8 | 0 | 0 | 0 | 112.5 | E15 K20 | E15-L18 PolarHBondContact O-N 2.9Å; L18-K20 VanDerWaalsContact C-N 3.34Å |
| 19 | Q | 58.8 | Low | 58.5 | Low | 156 Ų | 156 | 124.8 Ų | 124.8 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -73.3 | -25.2 | 175.4 | -69.9 | -153.1 | -4.4 | 0 | 0 | 113.6 | E15 W17 | E15-Q19 PolarHBondContact O-N 3.28Å; W17-Q19 VanDerWaalsContact C-N 3.34Å; W17-Q19 PolarHBondContact O-N 2.64Å |
| 20 | K | 59.4 | Low | 58.1 | Low | 170 Ų | 170 | 130 Ų | 130 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -77.7 | -35.5 | -179.1 | -163.4 | 146.3 | -175.1 | 174.3 | 0 | 112.9 | W17 L18 S22 S23 | W17-K20 PolarHBondContact O-N 3.27Å; L18-K20 VanDerWaalsContact C-N 3.34Å; K20-S22 VanDerWaalsContact C-N 3.31Å; K20-S22 PolarHBondContact O-N 2.94Å; K20-S23 PolarHBondContact O-N 3.28Å |
| 21 | V | 58.4 | Low | 57.8 | Low | 77 Ų | 77 | 125.4 Ų | 125.4 | 47% | 0.467 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -71.3 | -26.5 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 112 | W17 S23 | W17-V21 HydrophobicContact CE3-CG2 4.37Å; W17-V21 HydrophobicContact CH2-CG2 4.21Å; W17-V21 HydrophobicContact CZ2-CG2 4.35Å; W17-V21 HydrophobicContact CZ3-CG2 4.22Å; W17-V21 PolarHBondContact O-N 3.5Å; V21-S23 PolarHBondContact O-N 3.46Å |
| 22 | S | 54.3 | Low | 56.9 | Low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -8.1 | 177.9 | -174.1 | 0 | 0 | 0 | 0 | 114.3 | K20 | K20-S22 VanDerWaalsContact C-N 3.31Å; K20-S22 PolarHBondContact O-N 2.94Å |
| 23 | S | 53.4 | Low | 55.8 | Low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 6.6 | -176.1 | -56.4 | 0 | 0 | 0 | 0 | 114 | K20 V21 P25 | K20-S23 PolarHBondContact O-N 3.28Å; V21-S23 PolarHBondContact O-N 3.46Å; S23-P25 WeakPolarHBondContact O-CD 3.27Å |
| 24 | D | 49.7 | Very low | 54.9 | Low | 110 Ų | 110 | 130.5 Ų | 130.5 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | trans | -83.1 | 110.6 | 174.6 | -78.8 | -31.1 | 0 | 0 | 0 | 110.4 | E26 | D24-E26 PolarHBondContact O-N 3.48Å; D24-E26 VanDerWaalsContact O-N 3.1Å | ||
| 25 | P | 59.3 | Low | 53.1 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 2.3 | -179.4 | 30.6 | -35.3 | 0 | 0 | 0 | 114 | S23 | S23-P25 WeakPolarHBondContact O-CD 3.27Š|
| 26 | E | 56.8 | Low | 52.2 | Low | 183 Ų | 183 | 133.7 Ų | 133.7 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -4.2 | -175.9 | -141.5 | 176.2 | 169.7 | 0 | 0 | 113.6 | D24 Q28 | D24-E26 PolarHBondContact O-N 3.48Å; D24-E26 VanDerWaalsContact O-N 3.1Å; E26-Q28 VanDerWaalsContact C-N 3.26Å; E26-Q28 PolarHBondContact O-N 2.94Å |
| 27 | A | 55.9 | Low | 51 | Low | 87 Ų | 87 | 138.4 Ų | 138.4 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 22.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 28 | Q | 53.5 | Low | 49.9 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 8.9 | 176.1 | -74.1 | -177 | -20.8 | 0 | 0 | 113.9 | E26 | E26-Q28 VanDerWaalsContact C-N 3.26Å; E26-Q28 PolarHBondContact O-N 2.94Å |
| 29 | G | 49.9 | Very low | 49.2 | Very low | 56 Ų | 56 | 141.4 Ų | 141.4 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -95.4 | 3.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 30 | W | 46.7 | Very low | 49.2 | Very low | 262 Ų | 262 | 139 Ų | 139 | 99% | 0.992 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -139.6 | 79.5 | -175 | -64.5 | 81.3 | 0 | 0 | 0 | 112.3 | ||
| 31 | G | 51.2 | Low | 48.1 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 175.7 | 63.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 32 | A | 41.9 | Very low | 47.1 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -161.9 | 70.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G34 | A32-G34 VanDerWaalsContact C-N 3.26Å; A32-G34 PolarHBondContact O-N 3.02Å | ||
| 33 | W | 41.8 | Very low | 47 | Very low | 269 Ų | 269 | 141.1 Ų | 141.1 | 100% | 1.019 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 80.7 | 158.4 | -73.5 | 60 | 0 | 0 | 0 | 107.2 | ||||
| 34 | G | 44.6 | Very low | 45.9 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -73 | 131.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A32 | A32-G34 VanDerWaalsContact C-N 3.26Å; A32-G34 PolarHBondContact O-N 3.02Å | ||
| 35 | K | 35.3 | Very low | 45 | Very low | 188 Ų | 188 | 142 Ų | 142 | 82% | 0.817 | 83% | 0.826 | S | S | * | * | trans | -40.8 | 129.4 | 161.5 | -89.2 | 162.6 | 161.8 | 172.3 | 0 | 111.6 | E37 | K35-E37 PolarHBondContact O-N 3.41Š| ||
| 36 | T | 41.6 | Very low | 43.6 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -72.7 | 105.3 | 160.3 | 46 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 37 | E | 37.5 | Very low | 42.2 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 149.9 | 171 | -67.9 | -174.4 | 162.5 | 0 | 0 | 111.4 | K35 | K35-E37 PolarHBondContact O-N 3.41Š|
| 38 | K | 39.9 | Very low | 40.9 | Very low | 207 Ų | 207 | 136 Ų | 136 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 124.3 | -166.7 | -149.5 | 166.7 | -177.1 | 175 | 0 | 108.1 | ||
| 39 | T | 43.1 | Very low | 39.9 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 124.6 | 174.1 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 40 | P | 59.4 | Low | 39.1 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 68% | 0.682 | 83% | 0.828 | S | S | * | * | trans | -112.3 | 131.5 | 175.8 | 35.2 | -23.1 | 0 | 0 | 0 | 112 | ||||
| 41 | L | 37 | Very low | 38.4 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | trans | -155.7 | 121.9 | 154.9 | -72.4 | -178.3 | 0 | 0 | 0 | 109.4 | ||||
| 42 | G | 36.5 | Very low | 37.5 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -96 | -144.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 43 | P | 52.5 | Low | 37.4 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 92% | 0.922 | 82% | 0.818 | S | S | * | * | cis | -124.3 | 168.8 | -47.1 | 38 | -23.5 | 0 | 0 | 0 | 112.8 | ||||
| 44 | G | 30.2 | Very low | 37.1 | Very low | 65 Ų | 65 | 134.4 Ų | 134.4 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | 164.5 | 103.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 45 | T | 29.7 | Very low | 36.8 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 96% | 0.963 | 82% | 0.816 | S | S | * | * | 58.4 | 122.3 | 98.3 | -30.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 46 | G | 29.8 | Very low | 37.1 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | cis | 166 | 178.3 | 6.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 47 | S | 27.6 | Very low | 37.4 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | 86 | 111.2 | 172.4 | -162.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 48 | G | 29.4 | Very low | 37.3 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | 102.5 | 126.3 | 73.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 49 | T | 33.1 | Very low | 37.8 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -172.6 | 159.3 | 51 | -51.8 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 50 | E | 32.8 | Very low | 38.1 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -31.9 | 154.3 | 171.2 | -60.2 | 136.9 | 163.9 | 0 | 0 | 116.9 | ||||
| 51 | S | 31.2 | Very low | 37.1 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | 179.8 | 129.7 | 68.9 | 21.8 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 52 | D | 32.3 | Very low | 37.4 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | 73.9 | 114.4 | 108.5 | -62.1 | -38.5 | 0 | 0 | 0 | 115.6 | |||||
| 53 | E | 39.3 | Very low | 37.4 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | 178.7 | 118.4 | 108.5 | -91.8 | 179.1 | -166.6 | 0 | 0 | 110.5 | |||||
| 54 | E | 36.4 | Very low | 36.6 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -76.4 | 158.7 | 165.9 | -59.9 | 177.4 | 160.9 | 0 | 0 | 110.4 | ||||
| 55 | V | 37.9 | Very low | 37 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | -173.9 | 99 | 121.3 | 169 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 56 | E | 41.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | 29.1 | 130.8 | 126.6 | -72.7 | -77 | 155.2 | 0 | 0 | 122.5 | |||||
| 57 | E | 47.4 | Very low | 38.2 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | trans | -12.7 | 156.5 | 151.7 | -65.4 | -179.5 | 162.4 | 0 | 0 | 120.1 | ||||
| 58 | N | 35.1 | Very low | 38.8 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | -174.2 | 117 | 118.1 | -92.2 | -61.3 | 0 | 0 | 0 | 111.9 | |||||
| 59 | E | 50.8 | Low | 39.4 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -67.5 | 136.6 | 164.2 | -67.3 | 174.6 | 141.8 | 0 | 0 | 111.1 | ||||
| 60 | K | 49.2 | Very low | 40.3 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -141.1 | 107 | 155.5 | -72.2 | -171.8 | -178.1 | 162.5 | 0 | 110.4 | ||||
| 61 | D | 40 | Very low | 40.9 | Very low | 151 Ų | 151 | 152.4 Ų | 152.4 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -69.3 | 151 | 172.1 | -79.3 | -41.2 | 0 | 0 | 0 | 113.7 | ||||
| 62 | A | 42.8 | Very low | 42.3 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | 52.2 | 115.4 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 63 | G | 36.2 | Very low | 43 | Very low | 67 Ų | 67 | 155.1 Ų | 155.1 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 137.1 | 81.7 | 136.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 64 | F | 36.3 | Very low | 43.4 | Very low | 210 Ų | 210 | 153.2 Ų | 153.2 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -145.9 | 85.1 | 143.1 | -136.1 | -93.4 | 0 | 0 | 0 | 109.9 | ||||
| 65 | L | 38.4 | Very low | 44 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -59.1 | 147 | 167.5 | -73.3 | 168 | 0 | 0 | 0 | 110.5 | ||||
| 66 | L | 43 | Very low | 44.4 | Very low | 167 Ų | 167 | 151 Ų | 151 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 80.6 | 82.2 | 158.8 | -60.5 | 158.4 | 0 | 0 | 0 | 117.2 | ||||
| 67 | S | 41.8 | Very low | 44.2 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -151.4 | 126.9 | 133 | -158.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 68 | L | 40.2 | Very low | 44.5 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | 78.5 | 59.5 | 168.5 | -92.8 | 68.9 | 0 | 0 | 0 | 118.3 | E70 | L68-E70 HydrophobicContact CG-CB 4.39Å; L68-E70 PolarHBondContact O-N 3.08Å | ||
| 69 | L | 42 | Very low | 45.3 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -60.4 | 69.1 | 135.6 | -147.8 | 98.5 | 0 | 0 | 0 | 110.2 | ||||
| 70 | E | 50.7 | Low | 45.3 | Very low | 146 Ų | 146 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | -150.9 | 74.2 | 168.9 | -162.8 | 167 | -147.6 | 0 | 0 | 109.6 | L68 | L68-E70 HydrophobicContact CG-CB 4.39Å; L68-E70 PolarHBondContact O-N 3.08Å | ||
| 71 | Q | 47 | Very low | 45.8 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | 165.6 | 75.4 | 141 | -89.7 | 158.5 | -17.7 | 0 | 0 | 110.5 | ||||
| 72 | E | 58.6 | Low | 47 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | trans | -79.3 | 125.2 | 152.2 | -68.3 | -177.9 | 167.6 | 0 | 0 | 108.2 | ||||
| 73 | N | 47.1 | Very low | 48.1 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | 159.7 | 131.4 | 120.6 | -85.4 | -67.2 | 0 | 0 | 0 | 114.2 | |||||
| 74 | L | 48.2 | Very low | 49.5 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | 80.2 | 99.1 | 145.2 | -104.7 | 65.8 | 0 | 0 | 0 | 122.3 | ||||
| 75 | A | 50.3 | Low | 51.4 | Low | 82 Ų | 82 | 133.1 Ų | 133.1 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | 47.4 | 121.2 | 119.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 76 | K | 45.8 | Very low | 53.3 | Low | 189 Ų | 189 | 129 Ų | 129 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | 174.8 | 114.5 | 114.9 | -93 | 149.7 | -173.7 | 172.6 | 0 | 111.2 | |||||
| 77 | S | 37.9 | Very low | 55 | Low | 99 Ų | 99 | 125.8 Ų | 125.8 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | trans | -73 | 126.5 | 160.1 | 164.9 | 0 | 0 | 0 | 0 | 108.7 | G79 | S77-G79 VanDerWaalsContact C-N 3.26Å; S77-G79 PolarHBondContact O-N 3.38Å; S77-G79 VanDerWaalsContact O-N 3.13Å | ||
| 78 | P | 52.3 | Low | 56.8 | Low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 37.6 | -170.2 | 37.3 | -36.7 | 0 | 0 | 0 | 113.5 | ||
| 79 | G | 52.1 | Low | 58.9 | Low | 39 Ų | 39 | 127.4 Ų | 127.4 | 40% | 0.402 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.9 | -25.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S77 | S77-G79 VanDerWaalsContact C-N 3.26Å; S77-G79 PolarHBondContact O-N 3.38Å; S77-G79 VanDerWaalsContact O-N 3.13Å |
| 80 | Y | 52.2 | Low | 60.9 | Low | 156 Ų | 156 | 126 Ų | 126 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.1 | -28 | -168.3 | -172.9 | -112.8 | 0 | 0 | 0 | 113.9 | L84 | Y80-L84 HydrophobicContact CD1-CD1 3.61Å; Y80-L84 HydrophobicContact CD1-CG 4.33Å; Y80-L84 HydrophobicContact CE1-CD1 3.2Å; Y80-L84 HydrophobicContact CE1-CG 4.07Å; Y80-L84 HydrophobicContact CE2-CD1 4.37Å; Y80-L84 HydrophobicContact CE2-CG 4.4Å; Y80-L84 HydrophobicContact CG-CD1 4.36Å; Y80-L84 VanDerWaalsContact O-CG 3.29Å; Y80-L84 WeakPolarHBondContact O-CG 3.37Å; Y80-L84 PolarHBondContact O-N 3.25Å |
| 81 | N | 58.4 | Low | 62.3 | Low | 89 Ų | 89 | 124.2 Ų | 124.2 | 48% | 0.476 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -77.1 | -34.1 | -173 | -63.5 | -34.5 | 0 | 0 | 0 | 112.8 | L84 E85 | N81-L84 PolarHBondContact O-N 2.92Å; N81-E85 WeakPolarHBondContact O-CB 2.96Å; N81-E85 VanDerWaalsContact O-CG 3.28Å; N81-E85 WeakPolarHBondContact O-CG 3.48Å; N81-E85 PolarHBondContact O-N 2.92Å |
| 82 | Q | 65.8 | Low | 63.9 | Low | 153 Ų | 153 | 122.7 Ų | 122.7 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.2 | -34.4 | -175.5 | -157.2 | 163.2 | 12.1 | 0 | 0 | 112.1 | A86 | Q82-A86 PolarHBondContact O-N 3.44Å; Q82-A86 VanDerWaalsContact O-N 3.1Å |
| 83 | E | 65.1 | Low | 64.9 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.8 | -38.9 | 173.3 | -64.6 | -176.9 | 172.7 | 0 | 0 | 111.7 | E85 A86 I87 | E83-E85 VanDerWaalsContact C-N 3.35Å; E83-A86 PolarHBondContact O-N 3.41Å; E83-I87 WeakPolarHBondContact O-CD1 3.39Å; E83-I87 VanDerWaalsContact O-CG1 3.23Å; E83-I87 WeakPolarHBondContact O-CG1 3.42Å; E83-I87 PolarHBondContact O-N 2.75Å |
| 84 | L | 66.6 | Low | 65.9 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 34% | 0.335 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.8 | -36.3 | 174.5 | -75.7 | -176.3 | 0 | 0 | 0 | 113 | Y80 N81 I87 K88 | Y80-L84 HydrophobicContact CD1-CD1 3.61Å; Y80-L84 HydrophobicContact CD1-CG 4.33Å; Y80-L84 HydrophobicContact CE1-CD1 3.2Å; Y80-L84 HydrophobicContact CE1-CG 4.07Å; Y80-L84 HydrophobicContact CE2-CD1 4.37Å; Y80-L84 HydrophobicContact CE2-CG 4.4Å; Y80-L84 HydrophobicContact CG-CD1 4.36Å; Y80-L84 VanDerWaalsContact O-CG 3.29Å; Y80-L84 WeakPolarHBondContact O-CG 3.37Å; Y80-L84 PolarHBondContact O-N 3.25Å; N81-L84 PolarHBondContact O-N 2.92Å; L84-I87 PolarHBondContact O-N 2.99Å; L84-K88 WeakPolarHBondContact O-CB 3.41Å; L84-K88 WeakPolarHBondContact O-CG 3.32Å; L84-K88 PolarHBondContact O-N 2.78Å |
| 85 | E | 76.7 | Confident | 67 | Low | 128 Ų | 128 | 115.6 Ų | 115.6 | 60% | 0.598 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.7 | -42.6 | 174.1 | -77 | 174.5 | -173.9 | 0 | 0 | 111.2 | N81 E83 I87 K88 L89 | N81-E85 WeakPolarHBondContact O-CB 2.96Å; N81-E85 VanDerWaalsContact O-CG 3.28Å; N81-E85 WeakPolarHBondContact O-CG 3.48Å; N81-E85 PolarHBondContact O-N 2.92Å; E83-E85 VanDerWaalsContact C-N 3.35Å; E85-I87 VanDerWaalsContact C-N 3.34Å; E85-I87 PolarHBondContact O-N 3.41Å; E85-K88 PolarHBondContact O-N 3.23Å; E85-L89 WeakPolarHBondContact O-CB 3.26Å; E85-L89 PolarHBondContact O-N 3.23Å |
| 86 | A | 77.9 | Confident | 67.6 | Low | 62 Ų | 62 | 116.3 Ų | 116.3 | 51% | 0.512 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.9 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q82 E83 L89 K90 | Q82-A86 PolarHBondContact O-N 3.44Å; Q82-A86 VanDerWaalsContact O-N 3.1Å; E83-A86 PolarHBondContact O-N 3.41Å; A86-L89 PolarHBondContact O-N 2.77Å; A86-K90 WeakPolarHBondContact O-CB 3.4Å; A86-K90 PolarHBondContact O-N 3.28Å |
| 87 | I | 79 | Confident | 68.3 | Low | 98 Ų | 98 | 111 Ų | 111 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.2 | -43.6 | 176.8 | -68 | 163.7 | 0 | 0 | 0 | 111 | E83 L84 E85 L89 K90 L91 | E83-I87 WeakPolarHBondContact O-CD1 3.39Å; E83-I87 VanDerWaalsContact O-CG1 3.23Å; E83-I87 WeakPolarHBondContact O-CG1 3.42Å; E83-I87 PolarHBondContact O-N 2.75Å; L84-I87 PolarHBondContact O-N 2.99Å; E85-I87 VanDerWaalsContact C-N 3.34Å; E85-I87 PolarHBondContact O-N 3.41Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 2.86Å; I87-K90 PolarHBondContact O-N 3.19Å; I87-L91 HydrophobicContact CG2-CD1 4.27Å; I87-L91 PolarHBondContact O-N 3.11Å |
| 88 | K | 79.9 | Confident | 69 | Low | 158 Ų | 158 | 114.9 Ų | 114.9 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.1 | -43.4 | 175.3 | -84.1 | -179.1 | 176 | 179 | 0 | 112.1 | L84 E85 K90 L91 W92 | L84-K88 WeakPolarHBondContact O-CB 3.41Å; L84-K88 WeakPolarHBondContact O-CG 3.32Å; L84-K88 PolarHBondContact O-N 2.78Å; E85-K88 PolarHBondContact O-N 3.23Å; K88-K90 VanDerWaalsContact C-N 3.34Å; K88-K90 PolarHBondContact O-N 2.65Å; K88-L91 PolarHBondContact O-N 2.97Å; K88-W92 PolarHBondContact O-N 3.44Å |
| 89 | L | 83.9 | Confident | 68.6 | Low | 123 Ų | 123 | 113.6 Ų | 113.6 | 64% | 0.644 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.7 | -36.8 | -178.4 | -153.8 | 151.9 | 0 | 0 | 0 | 111.4 | E85 A86 I87 A93 | E85-L89 WeakPolarHBondContact O-CB 3.26Å; E85-L89 PolarHBondContact O-N 3.23Å; A86-L89 PolarHBondContact O-N 2.77Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 2.86Å; L89-A93 WeakPolarHBondContact O-CB 3.36Å; L89-A93 PolarHBondContact O-N 3.48Å |
| 90 | K | 83.8 | Confident | 67.8 | Low | 146 Ų | 146 | 119 Ų | 119 | 64% | 0.635 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.6 | -37.7 | 175.7 | -171.1 | 148.9 | -177.8 | 168 | 0 | 113.2 | A86 I87 K88 A93 M94 | A86-K90 WeakPolarHBondContact O-CB 3.4Å; A86-K90 PolarHBondContact O-N 3.28Å; I87-K90 PolarHBondContact O-N 3.19Å; K88-K90 VanDerWaalsContact C-N 3.34Å; K88-K90 PolarHBondContact O-N 2.65Å; K90-A93 PolarHBondContact O-N 3Å; K90-M94 HydrophobicContact CG-SD 4.39Å; K90-M94 WeakPolarHBondContact O-CG 3.42Å; K90-M94 PolarHBondContact O-N 3.23Å |
| 91 | L | 80.1 | Confident | 67.2 | Low | 109 Ų | 109 | 116.6 Ų | 116.6 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.2 | -45.5 | 173.8 | -91.3 | 163.1 | 0 | 0 | 0 | 111.9 | I87 K88 A93 M94 E95 | I87-L91 HydrophobicContact CG2-CD1 4.27Å; I87-L91 PolarHBondContact O-N 3.11Å; K88-L91 PolarHBondContact O-N 2.97Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 3.07Å; L91-M94 PolarHBondContact O-N 2.95Å; L91-E95 WeakPolarHBondContact O-CB 3.4Å; L91-E95 PolarHBondContact O-N 3.33Å |
| 92 | W | 80.7 | Confident | 66.7 | Low | 160 Ų | 160 | 121.3 Ų | 121.3 | 61% | 0.606 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.8 | -43.7 | 176.3 | -171.9 | 79.6 | 0 | 0 | 0 | 111.6 | K88 M94 E95 H96 | K88-W92 PolarHBondContact O-N 3.44Å; W92-M94 VanDerWaalsContact C-N 3.34Å; W92-M94 PolarHBondContact O-N 3.09Å; W92-E95 PolarHBondContact O-N 3.44Å; W92-H96 AromaticContact CD1-CD2 3.56Å; W92-H96 AromaticContact CD1-NE2 3.42Å; W92-H96 AromaticContact CD2-CD2 3.49Å; W92-H96 VanDerWaalsContact CD2-CD2 3.49Å; W92-H96 AromaticContact CE2-CD2 3.16Å; W92-H96 AromaticContact CE2-NE2 3.29Å; W92-H96 VanDerWaalsContact CE2-NE2 3.29Å; W92-H96 AromaticContact CG-CD2 3.75Å; W92-H96 AromaticContact CZ2-CD2 3.55Å; W92-H96 AromaticContact CZ2-NE2 3.72Å; W92-H96 AromaticContact NE1-CD2 3.23Å; W92-H96 PolarHBondContact NE1-CD2 2.89Å; W92-H96 AromaticContact NE1-NE2 2.89Å; W92-H96 PolarHBondContact NE1-NE2 3.15Å; W92-H96 PolarHBondContact O-CD2 3.07Å; W92-H96 PolarHBondContact O-N 3.08Å; W92-H96 VanDerWaalsContact O-N 3.08Å |
| 93 | A | 79.3 | Confident | 65.1 | Low | 52 Ų | 52 | 121.9 Ų | 121.9 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.9 | -34.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | L89 K90 L91 A97 | L89-A93 WeakPolarHBondContact O-CB 3.36Å; L89-A93 PolarHBondContact O-N 3.48Å; K90-A93 PolarHBondContact O-N 3Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 3.07Å; A93-A97 WeakPolarHBondContact O-CB 3.34Å; A93-A97 PolarHBondContact O-N 3.28Å |
| 94 | M | 68.4 | Low | 63.9 | Low | 120 Ų | 120 | 120.1 Ų | 120.1 | 59% | 0.591 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.2 | -42.1 | 174.9 | -74.4 | 173.5 | 60.4 | 0 | 0 | 111.9 | K90 L91 W92 H96 A97 | K90-M94 HydrophobicContact CG-SD 4.39Å; K90-M94 WeakPolarHBondContact O-CG 3.42Å; K90-M94 PolarHBondContact O-N 3.23Å; L91-M94 PolarHBondContact O-N 2.95Å; W92-M94 VanDerWaalsContact C-N 3.34Å; W92-M94 PolarHBondContact O-N 3.09Å; M94-H96 VanDerWaalsContact C-N 3.31Å; M94-H96 PolarHBondContact O-N 3.32Å; M94-A97 PolarHBondContact O-N 2.91Å |
| 95 | E | 70.9 | Confident | 62.4 | Low | 139 Ų | 139 | 127.5 Ų | 127.5 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.6 | -35.2 | -179.6 | -173.4 | 170.7 | -158.1 | 0 | 0 | 112.4 | L91 W92 T99 | L91-E95 WeakPolarHBondContact O-CB 3.4Å; L91-E95 PolarHBondContact O-N 3.33Å; W92-E95 PolarHBondContact O-N 3.44Å; E95-T99 PolarHBondContact O-OG1 3.37Å |
| 96 | H | 63.8 | Low | 60.5 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 45% | 0.449 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7.3 | 178 | -70.4 | -59.4 | 0 | 0 | 0 | 114.9 | W92 M94 | W92-H96 AromaticContact CD1-CD2 3.56Å; W92-H96 AromaticContact CD1-NE2 3.42Å; W92-H96 AromaticContact CD2-CD2 3.49Å; W92-H96 VanDerWaalsContact CD2-CD2 3.49Å; W92-H96 AromaticContact CE2-CD2 3.16Å; W92-H96 AromaticContact CE2-NE2 3.29Å; W92-H96 VanDerWaalsContact CE2-NE2 3.29Å; W92-H96 AromaticContact CG-CD2 3.75Å; W92-H96 AromaticContact CZ2-CD2 3.55Å; W92-H96 AromaticContact CZ2-NE2 3.72Å; W92-H96 AromaticContact NE1-CD2 3.23Å; W92-H96 PolarHBondContact NE1-CD2 2.89Å; W92-H96 AromaticContact NE1-NE2 2.89Å; W92-H96 PolarHBondContact NE1-NE2 3.15Å; W92-H96 PolarHBondContact O-CD2 3.07Å; W92-H96 PolarHBondContact O-N 3.08Å; W92-H96 VanDerWaalsContact O-N 3.08Å; M94-H96 VanDerWaalsContact C-N 3.31Å; M94-H96 PolarHBondContact O-N 3.32Å |
| 97 | A | 58.7 | Low | 58.4 | Low | 78 Ų | 78 | 131.7 Ų | 131.7 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -19.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A93 M94 | A93-A97 WeakPolarHBondContact O-CB 3.34Å; A93-A97 PolarHBondContact O-N 3.28Å; M94-A97 PolarHBondContact O-N 2.91Å |
| 98 | E | 53.6 | Low | 56.8 | Low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -94.4 | -5.5 | 178.4 | -73.8 | -173 | 167.2 | 0 | 0 | 114 | L100 | E98-L100 PolarHBondContact O-N 3.42Å; E98-L100 VanDerWaalsContact O-N 3.15Å |
| 99 | T | 44 | Very low | 54.5 | Low | 100 Ų | 100 | 139.8 Ų | 139.8 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | trans | -87.8 | 76.9 | 170.8 | -0.4 | 0 | 0 | 0 | 0 | 109.9 | E95 P101 | E95-T99 PolarHBondContact O-OG1 3.37Å; T99-P101 WeakPolarHBondContact O-CD 3.39Å | ||
| 100 | L | 34.4 | Very low | 52.6 | Low | 153 Ų | 153 | 138.5 Ų | 138.5 | 80% | 0.801 | 70% | 0.698 | S | S | * | * | trans | -59 | 126.6 | 161 | -75.4 | 173 | 0 | 0 | 0 | 108.3 | E98 E102 | E98-L100 PolarHBondContact O-N 3.42Å; E98-L100 VanDerWaalsContact O-N 3.15Å; L100-E102 PolarHBondContact O-N 3.14Å | ||
| 101 | P | 40.9 | Very low | 50 | Low | 105 Ų | 105 | 138.3 Ų | 138.3 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | trans | -67.7 | 118.4 | 165.2 | 26.8 | -29.7 | 0 | 0 | 0 | 108.2 | T99 Q103 | T99-P101 WeakPolarHBondContact O-CD 3.39Å; P101-Q103 PolarHBondContact O-N 3.36Å | ||
| 102 | E | 47.1 | Very low | 48.3 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | trans | -43.8 | 111.9 | 161.9 | -73.7 | -79.3 | 149.2 | 0 | 0 | 109.2 | L100 | L100-E102 PolarHBondContact O-N 3.14Š| ||
| 103 | Q | 33.3 | Very low | 46.2 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 128.8 | 170.4 | -79.3 | -85.5 | -18.6 | 0 | 0 | 108.5 | P101 | P101-Q103 PolarHBondContact O-N 3.36Š|
| 104 | P | 38.6 | Very low | 44.2 | Very low | 100 Ų | 100 | 150.2 Ų | 150.2 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 136.4 | -179.7 | 27 | -31.9 | 0 | 0 | 0 | 111.2 | V106 | P104-V106 PolarHBondContact O-N 3.33Š|
| 105 | Y | 36.3 | Very low | 42.3 | Very low | 218 Ų | 218 | 148.1 Ų | 148.1 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 122.1 | 168 | 67 | -79.3 | 0 | 0 | 0 | 111 | ||
| 106 | V | 35.4 | Very low | 40.6 | Very low | 133 Ų | 133 | 146 Ų | 146 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -147.8 | 115.1 | 152 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | P104 | P104-V106 PolarHBondContact O-N 3.33Š| ||
| 107 | Q | 35.2 | Very low | 39.2 | Very low | 146 Ų | 146 | 150 Ų | 150 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | 20.4 | 116.2 | 147.4 | -133.7 | 74.2 | -2 | 0 | 0 | 121.3 | ||||
| 108 | R | 45.2 | Very low | 38.2 | Very low | 216 Ų | 216 | 153 Ų | 153 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | 8 | 130.6 | 138.8 | -56.4 | 173.2 | -177.3 | 154.1 | 1.9 | 117.3 | ||||
| 109 | K | 31.2 | Very low | 37.5 | Very low | 209 Ų | 209 | 148.3 Ų | 148.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | -158.6 | 141.5 | 117 | -74.5 | -140.4 | 178.4 | -179.5 | 0 | 111.1 | |||||
| 110 | A | 43.1 | Very low | 37.7 | Very low | 96 Ų | 96 | 152.7 Ų | 152.7 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -77.7 | 145.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 111 | T | 30.2 | Very low | 38 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -161.4 | 132.5 | 149.7 | 30.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 112 | E | 44.2 | Very low | 37.9 | Very low | 182 Ų | 182 | 154.8 Ų | 154.8 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -60.9 | 156.5 | 174.4 | -72 | 169.9 | 115.6 | 0 | 0 | 112.1 | ||||
| 113 | E | 37 | Very low | 37.7 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | 165.7 | 127.1 | 112.2 | -83.6 | 179.5 | -147.8 | 0 | 0 | 112.7 | |||||
| 114 | K | 36.6 | Very low | 38.5 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | 21.6 | 131.3 | 153.7 | -63.4 | 177.4 | 178.8 | 171.3 | 0 | 121.5 | ||||
| 115 | G | 29.1 | Very low | 39.1 | Very low | 75 Ų | 75 | 152.8 Ų | 152.8 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 158.5 | 92.1 | 148 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 116 | A | 35.5 | Very low | 39.6 | Very low | 94 Ų | 94 | 150.2 Ų | 150.2 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | 38.4 | 129.3 | 139 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 117 | E | 33.7 | Very low | 39.8 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | 93.6 | 110 | 135 | -74.2 | -175.9 | 178 | 0 | 0 | 122.8 | ||||
| 118 | V | 38.3 | Very low | 40.1 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | trans | 61.3 | 98.5 | 133.4 | -163.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 119 | G | 37.7 | Very low | 39.7 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -168.5 | 29.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L121 | G119-L121 PolarHBondContact O-N 3.27Š| ||
| 120 | Q | 48.1 | Very low | 40.4 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -83.7 | 93.9 | 168.8 | -77 | 177.8 | 7.2 | 0 | 0 | 108.4 | ||||
| 121 | L | 41.4 | Very low | 40.6 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | -145.2 | 110.7 | 151.8 | -86 | -174 | 0 | 0 | 0 | 110.5 | G119 | G119-L121 PolarHBondContact O-N 3.27Š| ||
| 122 | L | 38.4 | Very low | 41.8 | Very low | 150 Ų | 150 | 142 Ų | 142 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 85.2 | 75.5 | 145 | -52.4 | 164.8 | 0 | 0 | 0 | 116.6 | ||||
| 123 | S | 43.3 | Very low | 42.8 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -50 | 129 | 140.3 | -54 | 0 | 0 | 0 | 0 | 109.8 | E125 | S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 3.06Å | ||
| 124 | P | 49.3 | Very low | 44.9 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -87.2 | 76.5 | 166.3 | 33.2 | -28.9 | 0 | 0 | 0 | 109 | ||||
| 125 | E | 51.9 | Low | 47 | Very low | 170 Ų | 170 | 125 Ų | 125 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -100.6 | 132.1 | 149.5 | -68.6 | -166 | 161.9 | 0 | 0 | 107.4 | S123 | S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 3.06Å | ||
| 126 | I | 47.1 | Very low | 49.5 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 87.4 | 71.9 | 174.3 | -42.6 | 160.4 | 0 | 0 | 0 | 115.6 | ||
| 127 | M | 38.9 | Very low | 51.8 | Low | 160 Ų | 160 | 128.6 Ų | 128.6 | 79% | 0.788 | 72% | 0.723 | S | S | * | * | -163 | 107.5 | 120.9 | -163.6 | 80.2 | 68.6 | 0 | 0 | 106.8 | C129 | M127-C129 PolarHBondContact O-N 3Š| |||
| 128 | G | 42.1 | Very low | 54.3 | Low | 86 Ų | 86 | 125 Ų | 125 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | trans | -67.7 | 70.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F130 | G128-F130 PolarHBondContact O-N 3.33Š| ||
| 129 | C | 37.1 | Very low | 56.6 | Low | 93 Ų | 93 | 119.8 Ų | 119.8 | 63% | 0.628 | 67% | 0.672 | S | S | * | * | trans | -82.9 | 66.2 | 157.7 | -47.7 | 0 | 0 | 0 | 0 | 106.8 | M127 F131 | M127-C129 PolarHBondContact O-N 3Å; C129-F131 PolarHBondContact O-N 3.21Å | ||
| 130 | F | 45.2 | Very low | 59 | Low | 155 Ų | 155 | 121.2 Ų | 121.2 | 68% | 0.68 | 66% | 0.658 | S | S | * | * | trans | -61.8 | 107.5 | 169.5 | -153.6 | -92.1 | 0 | 0 | 0 | 105.6 | G128 | G128-F130 PolarHBondContact O-N 3.33Š| ||
| 131 | F | 47 | Very low | 61 | Low | 175 Ų | 175 | 113.3 Ų | 113.3 | 77% | 0.768 | 63% | 0.625 | S | S | * | * | trans | -49 | 134.8 | 177.2 | -67.9 | -87 | 0 | 0 | 0 | 107.5 | C129 G133 | C129-F131 PolarHBondContact O-N 3.21Å; F131-G133 VanDerWaalsContact C-N 3.35Å; F131-G133 PolarHBondContact O-N 2.93Å | ||
| 132 | P | 56.8 | Low | 63.4 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | trans | -59.1 | 107.3 | 177.1 | 23.7 | -30.6 | 0 | 0 | 0 | 106.7 | ||||
| 133 | G | 64.9 | Low | 65.9 | Low | 17 Ų | 17 | 104.1 Ų | 104.1 | 18% | 0.175 | 58% | 0.575 | C | S | . | * | trans | -49.2 | 157.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F131 E137 K138 | F131-G133 VanDerWaalsContact C-N 3.35Å; F131-G133 PolarHBondContact O-N 2.93Å; G133-E137 WeakPolarHBondContact CA-OE2 3.37Å; G133-K138 VanDerWaalsContact O-CE 3.32Å; G133-K138 WeakPolarHBondContact O-CE 3.29Å | ||
| 134 | T | 80 | Confident | 68.4 | Low | 90 Ų | 90 | 102.9 Ų | 102.9 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | trans | -48.5 | 151.2 | 174.9 | 65 | 0 | 0 | 0 | 0 | 109.7 | K136 E137 K138 | T134-K136 PolarHBondContact O-N 3.38Å; T134-E137 WeakPolarHBondContact O-CB 3.28Å; T134-E137 PolarHBondContact O-N 2.77Å; T134-K138 PolarHBondContact O-N 2.88Å | ||
| 135 | P | 80.3 | Confident | 70.6 | Confident | 106 Ų | 106 | 96.5 Ų | 96.5 | 69% | 0.688 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -53.2 | -28.5 | -176.2 | 18.9 | -32.4 | 0 | 0 | 0 | 113.5 | V139 | P135-V139 WeakPolarHBondContact O-CG2 3.46Å; P135-V139 PolarHBondContact O-N 3.17Å |
| 136 | K | 81.6 | Confident | 72.7 | Confident | 165 Ų | 165 | 88.4 Ų | 88.4 | 72% | 0.717 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.9 | -46.3 | 173.3 | -66.6 | -178.1 | 176.3 | 179.7 | 0 | 112.6 | T134 K138 V139 E140 | T134-K136 PolarHBondContact O-N 3.38Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.26Å; K136-V139 WeakPolarHBondContact O-CB 3.29Å; K136-V139 PolarHBondContact O-N 2.94Å; K136-V139 VanDerWaalsContact O-N 3.13Å; K136-E140 PolarHBondContact O-N 2.77Å |
| 137 | E | 85.4 | Confident | 75 | Confident | 81 Ų | 81 | 83.7 Ų | 83.7 | 38% | 0.379 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 179.6 | -169.5 | -179 | 174.8 | 0 | 0 | 112 | G133 T134 V139 E140 A141 | G133-E137 WeakPolarHBondContact CA-OE2 3.37Å; T134-E137 WeakPolarHBondContact O-CB 3.28Å; T134-E137 PolarHBondContact O-N 2.77Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 PolarHBondContact O-N 2.84Å; E137-E140 PolarHBondContact O-N 2.94Å; E137-A141 WeakPolarHBondContact O-CB 3.27Å; E137-A141 PolarHBondContact O-N 3.21Å |
| 138 | K | 85 | Confident | 77.7 | Confident | 106 Ų | 106 | 76 Ų | 76 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 174.2 | -64.1 | -171.2 | 178.9 | -167 | 0 | 112.3 | G133 T134 K136 A141 D142 | G133-K138 VanDerWaalsContact O-CE 3.32Å; G133-K138 WeakPolarHBondContact O-CE 3.29Å; T134-K138 PolarHBondContact O-N 2.88Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.26Å; K138-A141 PolarHBondContact O-N 2.83Å; K138-D142 WeakPolarHBondContact O-CB 3.41Å; K138-D142 PolarHBondContact O-N 2.83Å |
| 139 | V | 87.1 | Confident | 80.3 | Confident | 32 Ų | 32 | 72 Ų | 72 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 176.7 | 172 | 0 | 0 | 0 | 0 | 110.1 | P135 K136 E137 A141 D142 H143 T221 F223 | P135-V139 WeakPolarHBondContact O-CG2 3.46Å; P135-V139 PolarHBondContact O-N 3.17Å; K136-V139 WeakPolarHBondContact O-CB 3.29Å; K136-V139 PolarHBondContact O-N 2.94Å; K136-V139 VanDerWaalsContact O-N 3.13Å; E137-V139 VanDerWaalsContact C-N 3.33Å; E137-V139 PolarHBondContact O-N 2.84Å; V139-A141 PolarHBondContact O-N 3.49Å; V139-D142 WeakPolarHBondContact O-CB 3.28Å; V139-D142 PolarHBondContact O-N 3.15Å; V139-H143 VanDerWaalsContact CG1-NE2 3.33Å; V139-H143 WeakPolarHBondContact CG1-NE2 3.45Å; V139-H143 PolarHBondContact O-CD2 3.12Å; V139-H143 PolarHBondContact O-N 3.22Å; V139-T221 HydrophobicContact CG1-CG2 4.17Å; V139-F223 HydrophobicContact CG1-CE1 3.93Å; V139-F223 HydrophobicContact CG1-CZ 3.7Å; V139-F223 HydrophobicContact CG2-CD1 4.45Å; V139-F223 HydrophobicContact CG2-CE1 3.8Å; V139-F223 HydrophobicContact CG2-CZ 4.31Å |
| 140 | E | 89.1 | Confident | 83.1 | Confident | 111 Ų | 111 | 72 Ų | 72 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.6 | -70 | 175.8 | -171 | 0 | 0 | 113.2 | K136 E137 H143 R144 | K136-E140 PolarHBondContact O-N 2.77Å; E137-E140 PolarHBondContact O-N 2.94Å; E140-H143 PolarHBondContact O-N 3.41Å; E140-R144 WeakPolarHBondContact O-CG 3.27Å; E140-R144 PolarHBondContact O-N 2.87Å; E140-R144 VanDerWaalsContact O-N 3.15Å; E140-R144 PolarHBondContact O-NE 2.86Å |
| 141 | A | 89.8 | Confident | 85.4 | Confident | 24 Ų | 24 | 64.8 Ų | 64.8 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E137 K138 V139 H143 R144 S145 | E137-A141 WeakPolarHBondContact O-CB 3.27Å; E137-A141 PolarHBondContact O-N 3.21Å; K138-A141 PolarHBondContact O-N 2.83Å; V139-A141 PolarHBondContact O-N 3.49Å; A141-H143 VanDerWaalsContact C-N 3.33Å; A141-H143 PolarHBondContact O-N 3.29Å; A141-R144 CarbonylContact O-C 3.37Å; A141-R144 PolarHBondContact O-N 3.45Å; A141-R144 VanDerWaalsContact O-N 3.13Å; A141-S145 WeakPolarHBondContact O-CB 3.48Å; A141-S145 PolarHBondContact O-N 3.13Å; A141-S145 PolarHBondContact O-OG 2.83Å |
| 142 | D | 90.8 | Very high | 87.7 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.5 | -75.5 | -7.5 | 0 | 0 | 0 | 112 | K138 V139 R144 S145 K219 T221 | K138-D142 WeakPolarHBondContact O-CB 3.41Å; K138-D142 PolarHBondContact O-N 2.83Å; V139-D142 WeakPolarHBondContact O-CB 3.28Å; V139-D142 PolarHBondContact O-N 3.15Å; D142-R144 VanDerWaalsContact C-N 3.28Å; D142-R144 PolarHBondContact O-N 2.98Å; D142-S145 WeakPolarHBondContact O-CB 3.38Å; D142-S145 PolarHBondContact O-N 3.23Å; D142-S145 VanDerWaalsContact O-N 3.1Å; D142-K219 HydrophobicContact CB-CD 4.3Å; D142-K219 WeakPolarHBondContact OD1-CE 3.49Å; D142-K219 IonicContact OD1-NZ 3.69Å; D142-K219 PolarHBondContact OD1-NZ 2.79Å; D142-T221 HydrophobicContact CB-CG2 3.66Å |
| 143 | H | 92.2 | Very high | 89.4 | Confident | 83 Ų | 83 | 59.7 Ų | 59.7 | 38% | 0.384 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.7 | -27.9 | 174.5 | -72 | -59.6 | 0 | 0 | 0 | 113.6 | V139 E140 A141 S145 | V139-H143 VanDerWaalsContact CG1-NE2 3.33Å; V139-H143 WeakPolarHBondContact CG1-NE2 3.45Å; V139-H143 PolarHBondContact O-CD2 3.12Å; V139-H143 PolarHBondContact O-N 3.22Å; E140-H143 PolarHBondContact O-N 3.41Å; A141-H143 VanDerWaalsContact C-N 3.33Å; A141-H143 PolarHBondContact O-N 3.29Å; H143-S145 VanDerWaalsContact C-N 3.3Å |
| 144 | R | 94.3 | Very high | 90.6 | Very high | 79 Ų | 79 | 61.1 Ų | 61.1 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 9.6 | 173.3 | -67.1 | -179.8 | -77.9 | 170.6 | -5.5 | 112.9 | E140 A141 D142 F192 A193 Q195 V198 | E140-R144 WeakPolarHBondContact O-CG 3.27Å; E140-R144 PolarHBondContact O-N 2.87Å; E140-R144 VanDerWaalsContact O-N 3.15Å; E140-R144 PolarHBondContact O-NE 2.86Å; A141-R144 CarbonylContact O-C 3.37Å; A141-R144 PolarHBondContact O-N 3.45Å; A141-R144 VanDerWaalsContact O-N 3.13Å; D142-R144 VanDerWaalsContact C-N 3.28Å; D142-R144 PolarHBondContact O-N 2.98Å; R144-F192 PolarHBondContact O-N 3.42Å; R144-A193 WeakPolarHBondContact CD-O 3.16Å; R144-A193 PolarHBondContact NH1-O 3.2Å; R144-Q195 HydrophobicContact CG-CB 4.29Å; R144-V198 WeakPolarHBondContact O-CG2 3.11Å |
| 145 | S | 95 | Very high | 91 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 151.4 | -178 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | A141 D142 H143 I190 E191 K219 | A141-S145 WeakPolarHBondContact O-CB 3.48Å; A141-S145 PolarHBondContact O-N 3.13Å; A141-S145 PolarHBondContact O-OG 2.83Å; D142-S145 WeakPolarHBondContact O-CB 3.38Å; D142-S145 PolarHBondContact O-N 3.23Å; D142-S145 VanDerWaalsContact O-N 3.1Å; H143-S145 VanDerWaalsContact C-N 3.3Å; S145-I190 CarbonylContact C-O 3.58Å; S145-I190 WeakPolarHBondContact CA-O 3.4Å; S145-E191 WeakPolarHBondContact OG-CG 2.98Å; S145-K219 WeakPolarHBondContact O-CB 3.28Å; S145-K219 PolarHBondContact O-N 2.82Å |
| 146 | V | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.5 | 175.6 | 174 | 0 | 0 | 0 | 0 | 109.8 | V148 Y189 I190 F192 V198 A201 V216 L217 | V146-V148 HydrophobicContact CG1-CG2 4.16Å; V146-Y189 WeakPolarHBondContact O-CA 3.39Å; V146-I190 PolarHBondContact N-O 3.35Å; V146-I190 PolarHBondContact O-N 2.86Å; V146-F192 HydrophobicContact CB-CE2 4Å; V146-F192 HydrophobicContact CG2-CD2 4.06Å; V146-F192 HydrophobicContact CG2-CE2 3.62Å; V146-V198 HydrophobicContact CG2-CB 4.03Å; V146-V198 HydrophobicContact CG2-CG1 3.6Å; V146-V198 HydrophobicContact CG2-CG2 4.15Å; V146-A201 HydrophobicContact CG2-CB 4.06Å; V146-V216 HydrophobicContact CG1-CG1 3.19Å; V146-L217 CarbonylContact C-O 3.55Å; V146-L217 WeakPolarHBondContact CG1-O 3.23Å |
| 147 | Y | 96.5 | Very high | 92.2 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 26% | 0.255 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.9 | 165.1 | 170.1 | -96.8 | 0 | 0 | 0 | 109.8 | Y187 Y189 V216 L217 | Y147-Y187 HydrophobicContact CE2-CD2 4.15Å; Y147-Y187 HydrophobicContact CE2-CG 4.03Å; Y147-Y189 HydrophobicContact CD2-CD1 4.37Å; Y147-Y189 AromaticContact CD2-CE1 3.7Å; Y147-Y189 HydrophobicContact CD2-CE1 3.7Å; Y147-Y189 HydrophobicContact CG-CE1 4.4Å; Y147-V216 WeakPolarHBondContact O-CA 3.46Å; Y147-L217 WeakPolarHBondContact CA-O 3.5Å; Y147-L217 HydrophobicContact CD1-CB 4.23Å; Y147-L217 HydrophobicContact CD1-CD1 4.42Å; Y147-L217 PolarHBondContact N-O 2.72Å; Y147-L217 PolarHBondContact O-N 3.1Å |
| 148 | V | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 113.7 | 173.3 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | V146 V151 F164 Y187 A188 I190 I214 K215 | V146-V148 HydrophobicContact CG1-CG2 4.16Å; V148-V151 HydrophobicContact CB-CG2 4.15Å; V148-V151 HydrophobicContact CG1-CG2 3.57Å; V148-F164 HydrophobicContact CG1-CE2 4.29Å; V148-F164 HydrophobicContact CG1-CZ 4.2Å; V148-F164 HydrophobicContact CG2-CE2 3.88Å; V148-F164 HydrophobicContact CG2-CZ 3.77Å; V148-Y187 CarbonylContact O-C 3.55Å; V148-Y187 WeakPolarHBondContact O-CA 3.38Å; V148-Y187 VanDerWaalsContact O-CB 3.31Å; V148-Y187 WeakPolarHBondContact O-CB 3.34Å; V148-A188 PolarHBondContact N-O 2.89Å; V148-A188 PolarHBondContact O-N 3.09Å; V148-I190 HydrophobicContact CG2-CD1 3.85Å; V148-I190 HydrophobicContact CG2-CG1 4.27Å; V148-I214 HydrophobicContact CG1-CB 4.23Å; V148-I214 HydrophobicContact CG1-CD1 4.1Å; V148-I214 HydrophobicContact CG1-CG2 4.49Å; V148-K215 CarbonylContact C-O 3.57Å; V148-K215 WeakPolarHBondContact CA-O 3.43Å |
| 149 | G | 95.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 163.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V151 I214 K215 | G149-V151 PolarHBondContact O-N 2.98Å; G149-I214 WeakPolarHBondContact O-CA 3.46Å; G149-K215 PolarHBondContact N-O 2.93Å; G149-K215 PolarHBondContact O-N 3.35Å |
| 150 | N | 95.4 | Very high | 93.4 | Very high | 91 Ų | 91 | 45 Ų | 45 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 59.2 | 32.6 | -178.1 | -160.1 | 40.2 | 0 | 0 | 0 | 113.8 | G186 V213 | N150-G186 PolarHBondContact N-O 2.94Å; N150-V213 PolarHBondContact ND2-O 3.46Å |
| 151 | V | 94.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | trans | -70.4 | 142.6 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | V148 G149 L160 G186 F209 | V148-V151 HydrophobicContact CB-CG2 4.15Å; V148-V151 HydrophobicContact CG1-CG2 3.57Å; G149-V151 PolarHBondContact O-N 2.98Å; V151-L160 HydrophobicContact CG1-CD1 4.33Å; V151-L160 HydrophobicContact CG1-CD2 4.12Å; V151-L160 HydrophobicContact CG2-CD2 4.47Å; V151-G186 PolarHBondContact N-O 3.5Å; V151-G186 WeakPolarHBondContact O-CA 3.46Å; V151-F209 HydrophobicContact CG1-CD1 4.4Å; V151-F209 HydrophobicContact CG1-CE1 4.1Å | ||
| 152 | D | 94.4 | Very high | 93.9 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | trans | -60.5 | 142.8 | 174.8 | -174.7 | 62.3 | 0 | 0 | 0 | 111.9 | G154 G155 R210 R212 | D152-G154 PolarHBondContact O-N 2.94Å; D152-G154 WeakPolarHBondContact OD2-CA 3.15Å; D152-G154 PolarHBondContact OD2-N 2.63Å; D152-G155 PolarHBondContact O-N 3.1Å; D152-R210 HydrophobicContact CB-CB 4.17Å; D152-R210 IonicContact OD2-CZ 3.89Å; D152-R210 IonicContact OD2-NE 2.98Å; D152-R210 IonicContact OD2-NH2 3.18Å; D152-R212 IonicContact OD1-CZ 3Å; D152-R212 IonicContact OD1-NE 2.63Å; D152-R212 PolarHBondContact OD1-NE 2.73Å; D152-R212 IonicContact OD1-NH1 3.21Å; D152-R212 IonicContact OD1-NH2 3.52Å; D152-R212 PolarHBondContact OD1-NH2 3.17Å | ||
| 153 | Y | 92.6 | Very high | 94.1 | Very high | 143 Ų | 143 | 50.3 Ų | 50.3 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.4 | -178.6 | -62 | -59.9 | 0 | 0 | 0 | 112.7 | G155 P184 | Y153-G155 VanDerWaalsContact C-N 3.3Å; Y153-P184 HydrophobicContact CD1-CB 4.4Å; Y153-P184 HydrophobicContact CD1-CG 4.04Å; Y153-P184 WeakPolarHBondContact CD1-O 3.4Å; Y153-P184 WeakPolarHBondContact CE1-O 3.46Å; Y153-P184 HydrophobicContact CG-CG 4.5Å; Y153-P184 WeakPolarHBondContact O-CG 3.43Å |
| 154 | G | 90.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D152 S156 R210 | D152-G154 PolarHBondContact O-N 2.94Å; D152-G154 WeakPolarHBondContact OD2-CA 3.15Å; D152-G154 PolarHBondContact OD2-N 2.63Å; G154-S156 PolarHBondContact O-N 3.05Å; G154-R210 VanDerWaalsContact C-NH1 3.29Å; G154-R210 PolarHBondContact O-NH1 2.92Å |
| 155 | G | 89.1 | Confident | 94.3 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | trans | -65.6 | 125.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D152 Y153 I175 | D152-G155 PolarHBondContact O-N 3.1Å; Y153-G155 VanDerWaalsContact C-N 3.3Å; G155-I175 WeakPolarHBondContact O-CD1 3.44Å | ||
| 156 | S | 93.4 | Very high | 94.2 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | trans | -90 | 154.7 | 177.1 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | G154 A158 E159 L160 | G154-S156 PolarHBondContact O-N 3.05Å; S156-A158 PolarHBondContact O-N 3.45Å; S156-E159 PolarHBondContact N-OE2 3.43Å; S156-E159 PolarHBondContact O-N 3.24Å; S156-E159 VanDerWaalsContact OG-CG 3.27Å; S156-E159 WeakPolarHBondContact OG-CG 3.2Å; S156-E159 PolarHBondContact OG-N 2.82Å; S156-E159 PolarHBondContact OG-OE1 3.06Å; S156-L160 PolarHBondContact O-N 3.13Å | ||
| 157 | A | 92.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 35% | 0.347 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -30.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R161 V173 I175 | A157-R161 WeakPolarHBondContact O-CB 3.36Å; A157-R161 PolarHBondContact O-N 3.15Å; A157-V173 HydrophobicContact CB-CB 4.2Å; A157-V173 HydrophobicContact CB-CG1 3.9Å; A157-I175 HydrophobicContact CB-CD1 4.15Å |
| 158 | A | 94.4 | Very high | 94 | Very high | 71 Ų | 71 | 50 Ų | 50 | 59% | 0.587 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.7 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S156 R161 A162 | S156-A158 PolarHBondContact O-N 3.45Å; A158-R161 WeakPolarHBondContact O-CB 3.44Å; A158-R161 PolarHBondContact O-N 2.9Å; A158-A162 PolarHBondContact O-N 3.42Å |
| 159 | E | 94.8 | Very high | 94 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 34% | 0.341 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 176.3 | -73.6 | 163.8 | -160.3 | 0 | 0 | 111.8 | S156 R161 A162 Y163 F209 R210 | S156-E159 PolarHBondContact N-OE2 3.43Å; S156-E159 PolarHBondContact O-N 3.24Å; S156-E159 VanDerWaalsContact OG-CG 3.27Å; S156-E159 WeakPolarHBondContact OG-CG 3.2Å; S156-E159 PolarHBondContact OG-N 2.82Å; S156-E159 PolarHBondContact OG-OE1 3.06Å; E159-R161 VanDerWaalsContact C-N 3.28Å; E159-R161 PolarHBondContact O-N 3.45Å; E159-A162 PolarHBondContact O-N 2.93Å; E159-Y163 WeakPolarHBondContact O-CB 3.49Å; E159-Y163 PolarHBondContact O-N 2.82Å; E159-F209 HydrophobicContact CB-CE2 4.04Å; E159-F209 HydrophobicContact CB-CZ 3.82Å; E159-R210 IonicContact OE1-NH1 2.75Å; E159-R210 PolarHBondContact OE1-NH1 3.33Å; E159-R210 WeakPolarHBondContact OE2-CD 3.44Å; E159-R210 IonicContact OE2-CZ 3.98Å; E159-R210 IonicContact OE2-NE 3.72Å; E159-R210 IonicContact OE2-NH1 3.84Å; E159-R210 PolarHBondContact OE2-NH1 3.39Å |
| 160 | L | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 174 | -70.4 | 173.7 | 0 | 0 | 0 | 110.9 | V151 S156 A162 Y163 F164 V173 I175 A188 I190 F209 | V151-L160 HydrophobicContact CG1-CD1 4.33Å; V151-L160 HydrophobicContact CG1-CD2 4.12Å; V151-L160 HydrophobicContact CG2-CD2 4.47Å; S156-L160 PolarHBondContact O-N 3.13Å; L160-A162 PolarHBondContact O-N 3.46Å; L160-Y163 PolarHBondContact O-N 2.77Å; L160-F164 HydrophobicContact CD2-CE2 4.3Å; L160-F164 VanDerWaalsContact O-CD2 3.29Å; L160-F164 WeakPolarHBondContact O-CD2 3.24Å; L160-F164 PolarHBondContact O-N 3.22Å; L160-V173 HydrophobicContact CB-CG1 4.29Å; L160-V173 HydrophobicContact CD1-CG1 4.11Å; L160-I175 HydrophobicContact CD1-CD1 4.17Å; L160-I175 HydrophobicContact CD1-CG1 4.13Å; L160-A188 HydrophobicContact CD1-CB 3.74Å; L160-I190 HydrophobicContact CB-CD1 4.43Å; L160-F209 HydrophobicContact CD2-CE1 4.24Å; L160-F209 HydrophobicContact CD2-CE2 4.36Å; L160-F209 HydrophobicContact CD2-CZ 4.09Å; L160-F209 HydrophobicContact CG-CZ 4.46Å |
| 161 | R | 95.1 | Very high | 93.9 | Very high | 139 Ų | 139 | 58.7 Ų | 58.7 | 53% | 0.525 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 177 | -165.1 | -179.2 | -171.6 | 170.1 | 4.9 | 111.8 | A157 A158 E159 Y163 S165 I170 V173 | A157-R161 WeakPolarHBondContact O-CB 3.36Å; A157-R161 PolarHBondContact O-N 3.15Å; A158-R161 WeakPolarHBondContact O-CB 3.44Å; A158-R161 PolarHBondContact O-N 2.9Å; E159-R161 VanDerWaalsContact C-N 3.28Å; E159-R161 PolarHBondContact O-N 3.45Å; R161-Y163 VanDerWaalsContact C-N 3.33Å; R161-Y163 PolarHBondContact O-N 3.43Å; R161-S165 WeakPolarHBondContact O-CB 3.26Å; R161-S165 PolarHBondContact O-N 2.64Å; R161-I170 HydrophobicContact CB-CD1 4.3Å; R161-I170 HydrophobicContact CG-CB 4.26Å; R161-I170 HydrophobicContact CG-CD1 3.74Å; R161-I170 HydrophobicContact CG-CG2 4.4Å; R161-I170 PolarHBondContact NH2-O 2.83Å; R161-I170 WeakPolarHBondContact O-CD1 3.33Å; R161-V173 HydrophobicContact CB-CG2 4.41Å |
| 162 | A | 94.9 | Very high | 93.8 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 60% | 0.595 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A158 E159 L160 S165 | A158-A162 PolarHBondContact O-N 3.42Å; E159-A162 PolarHBondContact O-N 2.93Å; L160-A162 PolarHBondContact O-N 3.46Å; A162-S165 WeakPolarHBondContact O-CB 3.49Å; A162-S165 PolarHBondContact O-N 2.63Å |
| 163 | Y | 94.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 64.8 Ų | 64.8 | 24% | 0.243 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.3 | -41.5 | -179.8 | -170.4 | -97.4 | 0 | 0 | 0 | 113.2 | E159 L160 R161 P166 L204 S207 F209 I214 | E159-Y163 WeakPolarHBondContact O-CB 3.49Å; E159-Y163 PolarHBondContact O-N 2.82Å; L160-Y163 PolarHBondContact O-N 2.77Å; R161-Y163 VanDerWaalsContact C-N 3.33Å; R161-Y163 PolarHBondContact O-N 3.43Å; Y163-P166 VanDerWaalsContact O-CD 3.32Å; Y163-P166 WeakPolarHBondContact O-CD 3.44Å; Y163-L204 HydrophobicContact CE1-CD1 4.37Å; Y163-S207 WeakPolarHBondContact OH-CB 3.16Å; Y163-S207 PolarHBondContact OH-OG 2.87Å; Y163-F209 HydrophobicContact CD2-CD2 4.06Å; Y163-F209 HydrophobicContact CG-CD2 4.17Å; Y163-I214 HydrophobicContact CD1-CD1 4.34Å; Y163-I214 HydrophobicContact CE1-CD1 3.73Å |
| 164 | F | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -94.3 | -2 | -179.1 | -71.2 | -76 | 0 | 0 | 0 | 114 | V148 L160 P166 C167 I170 I190 F192 A201 I214 V216 | V148-F164 HydrophobicContact CG1-CE2 4.29Å; V148-F164 HydrophobicContact CG1-CZ 4.2Å; V148-F164 HydrophobicContact CG2-CE2 3.88Å; V148-F164 HydrophobicContact CG2-CZ 3.77Å; L160-F164 HydrophobicContact CD2-CE2 4.3Å; L160-F164 VanDerWaalsContact O-CD2 3.29Å; L160-F164 WeakPolarHBondContact O-CD2 3.24Å; L160-F164 PolarHBondContact O-N 3.22Å; F164-P166 VanDerWaalsContact C-N 3.34Å; F164-C167 WeakPolarHBondContact O-CB 3.11Å; F164-C167 PolarHBondContact O-N 3.5Å; F164-C167 VanDerWaalsContact O-N 3.08Å; F164-I170 HydrophobicContact CB-CD1 3.8Å; F164-I190 HydrophobicContact CB-CD1 4.41Å; F164-I190 HydrophobicContact CD2-CD1 3.21Å; F164-I190 HydrophobicContact CE2-CD1 3.53Å; F164-I190 HydrophobicContact CG-CD1 3.89Å; F164-I190 HydrophobicContact CZ-CD1 4.41Å; F164-F192 HydrophobicContact CB-CE1 4.28Å; F164-F192 HydrophobicContact CB-CZ 4.05Å; F164-F192 HydrophobicContact CD1-CZ 4.43Å; F164-F192 HydrophobicContact CG-CZ 4.44Å; F164-A201 HydrophobicContact CD1-CB 4.07Å; F164-A201 HydrophobicContact CE1-CB 4.26Å; F164-I214 HydrophobicContact CE2-CD1 4.4Å; F164-I214 HydrophobicContact CZ-CD1 3.84Å; F164-V216 HydrophobicContact CE1-CG1 4.36Å; F164-V216 HydrophobicContact CE1-CG2 4.16Å; F164-V216 HydrophobicContact CZ-CG2 3.98Å |
| 165 | S | 94.7 | Very high | 94.1 | Very high | 75 Ų | 75 | 60.1 Ų | 60.1 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.4 | 173.5 | -167.9 | 0 | 0 | 0 | 0 | 114.9 | R161 A162 C167 G168 | R161-S165 WeakPolarHBondContact O-CB 3.26Å; R161-S165 PolarHBondContact O-N 2.64Å; A162-S165 WeakPolarHBondContact O-CB 3.49Å; A162-S165 PolarHBondContact O-N 2.63Å; S165-C167 VanDerWaalsContact C-N 3.26Å; S165-C167 PolarHBondContact O-N 3.46Å; S165-G168 PolarHBondContact O-N 2.95Å |
| 166 | P | 94.1 | Very high | 94.2 | Very high | 108 Ų | 108 | 62.8 Ų | 62.8 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -20.6 | 177.8 | 26.7 | -35.1 | 0 | 0 | 0 | 113.6 | Y163 F164 | Y163-P166 VanDerWaalsContact O-CD 3.32Å; Y163-P166 WeakPolarHBondContact O-CD 3.44Å; F164-P166 VanDerWaalsContact C-N 3.34Å |
| 167 | C | 93.3 | Very high | 94.1 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 12% | 0.122 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -26.5 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | F164 S165 S197 A200 A201 L204 | F164-C167 WeakPolarHBondContact O-CB 3.11Å; F164-C167 PolarHBondContact O-N 3.5Å; F164-C167 VanDerWaalsContact O-N 3.08Å; S165-C167 VanDerWaalsContact C-N 3.26Å; S165-C167 PolarHBondContact O-N 3.46Å; C167-S197 WeakPolarHBondContact O-CA 3.31Å; C167-S197 WeakPolarHBondContact O-CB 3.31Å; C167-S197 PolarHBondContact O-OG 3.13Å; C167-A200 HydrophobicContact CB-CB 4.1Å; C167-A201 HydrophobicContact CB-CB 4.24Å; C167-L204 WeakPolarHBondContact SG-CD1 3.32Å |
| 168 | G | 94.2 | Very high | 94.2 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | trans | 155.4 | -172.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S165 | S165-G168 PolarHBondContact O-N 2.95Š| ||
| 169 | E | 95.3 | Very high | 94 | Very high | 139 Ų | 139 | 70.2 Ų | 70.2 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | trans | -75.6 | 127.3 | -178.1 | -173.9 | 174.1 | -170.3 | 0 | 0 | 111.8 | F192 A193 | E169-F192 WeakPolarHBondContact O-CA 3.15Å; E169-A193 HydrophobicContact CB-CB 4.09Å; E169-A193 HydrophobicContact CG-CB 4.36Å; E169-A193 PolarHBondContact O-N 3.36Å | ||
| 170 | I | 95.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122 | -176.7 | -61.8 | 164.7 | 0 | 0 | 0 | 109.5 | R161 F164 V173 I190 F192 | R161-I170 HydrophobicContact CB-CD1 4.3Å; R161-I170 HydrophobicContact CG-CB 4.26Å; R161-I170 HydrophobicContact CG-CD1 3.74Å; R161-I170 HydrophobicContact CG-CG2 4.4Å; R161-I170 PolarHBondContact NH2-O 2.83Å; R161-I170 WeakPolarHBondContact O-CD1 3.33Å; F164-I170 HydrophobicContact CB-CD1 3.8Å; I170-V173 HydrophobicContact CG2-CG2 3.68Å; I170-I190 HydrophobicContact CD1-CG2 4.32Å; I170-I190 HydrophobicContact CG1-CG2 4.07Å; I170-I190 HydrophobicContact CG2-CG2 3.75Å; I170-F192 HydrophobicContact CD1-CE1 4.21Å; I170-F192 HydrophobicContact CG1-CD1 3.77Å; I170-F192 HydrophobicContact CG1-CE1 3.54Å; I170-F192 HydrophobicContact CG1-CZ 4.41Å |
| 171 | H | 94.1 | Very high | 93.8 | Very high | 128 Ų | 128 | 79 Ų | 79 | 59% | 0.593 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -50 | 173.2 | -101 | -95.2 | 0 | 0 | 0 | 111.5 | E191 | H171-E191 HydrophobicContact CB-CB 4.43Å; H171-E191 PolarHBondContact N-O 3.06Å |
| 172 | R | 92.2 | Very high | 93.5 | Very high | 127 Ų | 127 | 74.9 Ų | 74.9 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 141.2 | -172.3 | -172.7 | -178.1 | 175.5 | 170.5 | 4.4 | 111.7 | T174 I190 E191 | R172-T174 PolarHBondContact NE-OG1 3.31Å; R172-I190 WeakPolarHBondContact O-CA 3.29Å; R172-E191 HydrophobicContact CB-CB 4.07Å; R172-E191 WeakPolarHBondContact CB-OE2 3.33Å; R172-E191 WeakPolarHBondContact CD-OE2 3.48Å; R172-E191 PolarHBondContact N-O 3.38Å; R172-E191 PolarHBondContact O-N 2.94Å |
| 173 | V | 95.3 | Very high | 93.2 | Very high | 31 Ų | 31 | 77.5 Ų | 77.5 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.2 | 170.5 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | A157 L160 R161 I170 I190 | A157-V173 HydrophobicContact CB-CB 4.2Å; A157-V173 HydrophobicContact CB-CG1 3.9Å; L160-V173 HydrophobicContact CB-CG1 4.29Å; L160-V173 HydrophobicContact CD1-CG1 4.11Å; R161-V173 HydrophobicContact CB-CG2 4.41Å; I170-V173 HydrophobicContact CG2-CG2 3.68Å; V173-I190 HydrophobicContact CG1-CG1 4.36Å; V173-I190 HydrophobicContact CG2-CG1 4.43Å; V173-I190 HydrophobicContact CG2-CG2 4.4Å |
| 174 | T | 94.1 | Very high | 93.2 | Very high | 41 Ų | 41 | 76.1 Ų | 76.1 | 25% | 0.252 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 107.8 | 179.4 | -56 | 0 | 0 | 0 | 0 | 109.5 | R172 A188 Y189 | R172-T174 PolarHBondContact NE-OG1 3.31Å; T174-A188 CarbonylContact O-C 3.59Å; T174-A188 VanDerWaalsContact O-CA 3.31Å; T174-A188 WeakPolarHBondContact O-CA 3.44Å; T174-Y189 PolarHBondContact N-O 3.2Å; T174-Y189 PolarHBondContact O-N 3.29Å |
| 175 | I | 94.4 | Very high | 93 | Very high | 51 Ų | 51 | 81.9 Ų | 81.9 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.2 | 172.9 | -57.3 | 177.6 | 0 | 0 | 0 | 107.8 | G155 A157 L160 P184 A188 | G155-I175 WeakPolarHBondContact O-CD1 3.44Å; A157-I175 HydrophobicContact CB-CD1 4.15Å; L160-I175 HydrophobicContact CD1-CD1 4.17Å; L160-I175 HydrophobicContact CD1-CG1 4.13Å; I175-P184 HydrophobicContact CG2-CB 4.37Å; I175-A188 HydrophobicContact CG1-CB 4.15Å |
| 176 | L | 92 | Very high | 93 | Very high | 67 Ų | 67 | 78.7 Ų | 78.7 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.5 | 178.4 | -157.6 | 81.7 | 0 | 0 | 0 | 110.7 | K185 Y187 | L176-K185 WeakPolarHBondContact O-CB 3.4Å; L176-K185 PolarHBondContact O-N 2.89Å; L176-Y187 HydrophobicContact CB-CD2 3.82Å; L176-Y187 HydrophobicContact CB-CE2 3.38Å; L176-Y187 HydrophobicContact CD2-CE2 3.37Å; L176-Y187 VanDerWaalsContact CD2-CZ 3.43Å; L176-Y187 WeakPolarHBondContact CD2-OH 3.17Å; L176-Y187 HydrophobicContact CG-CE2 3.96Å; L176-Y187 PolarHBondContact N-O 2.98Å; L176-Y187 VanDerWaalsContact N-O 3.13Å |
| 177 | C | 92.2 | Very high | 93 | Very high | 59 Ų | 59 | 75.3 Ų | 75.3 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 149.4 | 170 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | H183 | C177-H183 WeakPolarHBondContact CA-O 3.32Å |
| 178 | D | 93 | Very high | 93.1 | Very high | 59 Ų | 59 | 74.4 Ų | 74.4 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 136.3 | 168.6 | 175.5 | 35.9 | 0 | 0 | 0 | 110 | F180 S181 G182 H183 | D178-F180 VanDerWaalsContact C-N 3.32Å; D178-F180 PolarHBondContact O-N 2.87Å; D178-S181 WeakPolarHBondContact CB-OG 3.47Å; D178-S181 WeakPolarHBondContact OD2-CB 3.45Å; D178-S181 PolarHBondContact OD2-N 3.01Å; D178-S181 VanDerWaalsContact OD2-N 3.09Å; D178-S181 PolarHBondContact OD2-OG 3.35Å; D178-G182 WeakPolarHBondContact O-CA 3.09Å; D178-G182 PolarHBondContact O-N 3.08Å; D178-H183 PolarHBondContact N-O 3.36Å |
| 179 | K | 91.8 | Very high | 93.2 | Very high | 197 Ų | 197 | 76.6 Ų | 76.6 | 86% | 0.857 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.9 | -172.5 | -61.9 | -178.3 | -179.8 | -172.8 | 0 | 112.6 | ||
| 180 | F | 91.7 | Very high | 93.2 | Very high | 197 Ų | 197 | 70 Ų | 70 | 86% | 0.864 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -49.5 | -177.2 | -57.8 | -77.2 | 0 | 0 | 0 | 111.4 | D178 | D178-F180 VanDerWaalsContact C-N 3.32Å; D178-F180 PolarHBondContact O-N 2.87Å |
| 181 | S | 91.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 71.5 Ų | 71.5 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -16.5 | -177.8 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | D178 H183 | D178-S181 WeakPolarHBondContact CB-OG 3.47Å; D178-S181 WeakPolarHBondContact OD2-CB 3.45Å; D178-S181 PolarHBondContact OD2-N 3.01Å; D178-S181 VanDerWaalsContact OD2-N 3.09Å; D178-S181 PolarHBondContact OD2-OG 3.35Å; S181-H183 WeakPolarHBondContact CB-ND1 3.36Å; S181-H183 PolarHBondContact O-N 3.26Å; S181-H183 PolarHBondContact O-ND1 3.42Å; S181-H183 PolarHBondContact OG-N 2.91Å |
| 182 | G | 89.7 | Confident | 93.3 | Very high | 52 Ų | 52 | 65.6 Ų | 65.6 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | trans | 68.2 | -2.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D178 | D178-G182 WeakPolarHBondContact O-CA 3.09Å; D178-G182 PolarHBondContact O-N 3.08Å | ||
| 183 | H | 89.4 | Confident | 93.4 | Very high | 128 Ų | 128 | 60.9 Ų | 60.9 | 59% | 0.593 | 32% | 0.319 | S | S | * | . | trans | -74.6 | 139.3 | -177.3 | -71.1 | 68.4 | 0 | 0 | 0 | 110.1 | C177 D178 S181 K185 | C177-H183 WeakPolarHBondContact CA-O 3.32Å; D178-H183 PolarHBondContact N-O 3.36Å; S181-H183 WeakPolarHBondContact CB-ND1 3.36Å; S181-H183 PolarHBondContact O-N 3.26Å; S181-H183 PolarHBondContact O-ND1 3.42Å; S181-H183 PolarHBondContact OG-N 2.91Å; H183-K185 PolarHBondContact O-N 3.23Å | ||
| 184 | P | 92.7 | Very high | 93.3 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 21% | 0.214 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 136.8 | 177 | 19.8 | -24.6 | 0 | 0 | 0 | 109.9 | Y153 I175 G186 | Y153-P184 HydrophobicContact CD1-CB 4.4Å; Y153-P184 HydrophobicContact CD1-CG 4.04Å; Y153-P184 WeakPolarHBondContact CD1-O 3.4Å; Y153-P184 WeakPolarHBondContact CE1-O 3.46Å; Y153-P184 HydrophobicContact CG-CG 4.5Å; Y153-P184 WeakPolarHBondContact O-CG 3.43Å; I175-P184 HydrophobicContact CG2-CB 4.37Å; P184-G186 PolarHBondContact O-N 3.31Å |
| 185 | K | 92.3 | Very high | 93.3 | Very high | 120 Ų | 120 | 65 Ų | 65 | 52% | 0.522 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 1.4 | -175.7 | -155.1 | 166.7 | 159 | -160.8 | 0 | 113.2 | L176 H183 Y187 | L176-K185 WeakPolarHBondContact O-CB 3.4Å; L176-K185 PolarHBondContact O-N 2.89Å; H183-K185 PolarHBondContact O-N 3.23Å; K185-Y187 HydrophobicContact CB-CD1 3.9Å; K185-Y187 HydrophobicContact CB-CE1 3.53Å; K185-Y187 HydrophobicContact CD-CD1 4.44Å; K185-Y187 HydrophobicContact CD-CE1 3.34Å; K185-Y187 VanDerWaalsContact CD-OH 3.29Å; K185-Y187 WeakPolarHBondContact CD-OH 3.36Å; K185-Y187 WeakPolarHBondContact CE-OH 3.44Å; K185-Y187 HydrophobicContact CG-CD1 4Å; K185-Y187 HydrophobicContact CG-CE1 3.33Å; K185-Y187 PolarHBondContact NZ-OH 2.85Å |
| 186 | G | 93.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 68 Ų | 68 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.3 | 23.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N150 V151 P184 | N150-G186 PolarHBondContact N-O 2.94Å; V151-G186 PolarHBondContact N-O 3.5Å; V151-G186 WeakPolarHBondContact O-CA 3.46Å; P184-G186 PolarHBondContact O-N 3.31Å |
| 187 | Y | 94.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 153.5 | 172.2 | 58.9 | -99 | 0 | 0 | 0 | 112.8 | Y147 V148 L176 K185 Y189 | Y147-Y187 HydrophobicContact CE2-CD2 4.15Å; Y147-Y187 HydrophobicContact CE2-CG 4.03Å; V148-Y187 CarbonylContact O-C 3.55Å; V148-Y187 WeakPolarHBondContact O-CA 3.38Å; V148-Y187 VanDerWaalsContact O-CB 3.31Å; V148-Y187 WeakPolarHBondContact O-CB 3.34Å; L176-Y187 HydrophobicContact CB-CD2 3.82Å; L176-Y187 HydrophobicContact CB-CE2 3.38Å; L176-Y187 HydrophobicContact CD2-CE2 3.37Å; L176-Y187 VanDerWaalsContact CD2-CZ 3.43Å; L176-Y187 WeakPolarHBondContact CD2-OH 3.17Å; L176-Y187 HydrophobicContact CG-CE2 3.96Å; L176-Y187 PolarHBondContact N-O 2.98Å; L176-Y187 VanDerWaalsContact N-O 3.13Å; K185-Y187 HydrophobicContact CB-CD1 3.9Å; K185-Y187 HydrophobicContact CB-CE1 3.53Å; K185-Y187 HydrophobicContact CD-CD1 4.44Å; K185-Y187 HydrophobicContact CD-CE1 3.34Å; K185-Y187 VanDerWaalsContact CD-OH 3.29Å; K185-Y187 WeakPolarHBondContact CD-OH 3.36Å; K185-Y187 WeakPolarHBondContact CE-OH 3.44Å; K185-Y187 HydrophobicContact CG-CD1 4Å; K185-Y187 HydrophobicContact CG-CE1 3.33Å; K185-Y187 PolarHBondContact NZ-OH 2.85Å; Y187-Y189 HydrophobicContact CD2-CE2 4.38Å; Y187-Y189 HydrophobicContact CE2-CE2 4.32Å |
| 188 | A | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 155.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V148 L160 T174 I175 | V148-A188 PolarHBondContact N-O 2.89Å; V148-A188 PolarHBondContact O-N 3.09Å; L160-A188 HydrophobicContact CD1-CB 3.74Å; T174-A188 CarbonylContact O-C 3.59Å; T174-A188 VanDerWaalsContact O-CA 3.31Å; T174-A188 WeakPolarHBondContact O-CA 3.44Å; I175-A188 HydrophobicContact CG1-CB 4.15Å |
| 189 | Y | 95.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 66 Ų | 66 | 26% | 0.263 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.7 | 167.8 | -62.9 | -74.7 | 0 | 0 | 0 | 109.4 | V146 Y147 T174 Y187 K219 | V146-Y189 WeakPolarHBondContact O-CA 3.39Å; Y147-Y189 HydrophobicContact CD2-CD1 4.37Å; Y147-Y189 AromaticContact CD2-CE1 3.7Å; Y147-Y189 HydrophobicContact CD2-CE1 3.7Å; Y147-Y189 HydrophobicContact CG-CE1 4.4Å; T174-Y189 PolarHBondContact N-O 3.2Å; T174-Y189 PolarHBondContact O-N 3.29Å; Y187-Y189 HydrophobicContact CD2-CE2 4.38Å; Y187-Y189 HydrophobicContact CE2-CE2 4.32Å; Y189-K219 HydrophobicContact CD1-CD 3.89Å; Y189-K219 HydrophobicContact CD1-CG 3.98Å; Y189-K219 HydrophobicContact CE1-CD 4.29Å; Y189-K219 HydrophobicContact CE1-CG 4.01Å |
| 190 | I | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.4 | 178.2 | -56.7 | 179.9 | 0 | 0 | 0 | 107.6 | S145 V146 V148 L160 F164 I170 R172 V173 F192 | S145-I190 CarbonylContact C-O 3.58Å; S145-I190 WeakPolarHBondContact CA-O 3.4Å; V146-I190 PolarHBondContact N-O 3.35Å; V146-I190 PolarHBondContact O-N 2.86Å; V148-I190 HydrophobicContact CG2-CD1 3.85Å; V148-I190 HydrophobicContact CG2-CG1 4.27Å; L160-I190 HydrophobicContact CB-CD1 4.43Å; F164-I190 HydrophobicContact CB-CD1 4.41Å; F164-I190 HydrophobicContact CD2-CD1 3.21Å; F164-I190 HydrophobicContact CE2-CD1 3.53Å; F164-I190 HydrophobicContact CG-CD1 3.89Å; F164-I190 HydrophobicContact CZ-CD1 4.41Å; I170-I190 HydrophobicContact CD1-CG2 4.32Å; I170-I190 HydrophobicContact CG1-CG2 4.07Å; I170-I190 HydrophobicContact CG2-CG2 3.75Å; R172-I190 WeakPolarHBondContact O-CA 3.29Å; V173-I190 HydrophobicContact CG1-CG1 4.36Å; V173-I190 HydrophobicContact CG2-CG1 4.43Å; V173-I190 HydrophobicContact CG2-CG2 4.4Å; I190-F192 HydrophobicContact CB-CE2 4.16Å; I190-F192 HydrophobicContact CB-CZ 4.46Å; I190-F192 HydrophobicContact CG2-CD2 4.23Å; I190-F192 HydrophobicContact CG2-CE1 4.18Å; I190-F192 HydrophobicContact CG2-CE2 3.72Å; I190-F192 HydrophobicContact CG2-CZ 3.7Å |
| 191 | E | 95.5 | Very high | 94 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.7 | 174.2 | -74.9 | 162.6 | -155.2 | 0 | 0 | 108.6 | S145 H171 R172 | S145-E191 WeakPolarHBondContact OG-CG 2.98Å; H171-E191 HydrophobicContact CB-CB 4.43Å; H171-E191 PolarHBondContact N-O 3.06Å; R172-E191 HydrophobicContact CB-CB 4.07Å; R172-E191 WeakPolarHBondContact CB-OE2 3.33Å; R172-E191 WeakPolarHBondContact CD-OE2 3.48Å; R172-E191 PolarHBondContact N-O 3.38Å; R172-E191 PolarHBondContact O-N 2.94Å |
| 192 | F | 96.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 160.1 | 175.6 | -66.9 | -84.7 | 0 | 0 | 0 | 111.5 | R144 V146 F164 E169 I170 I190 S194 V198 A201 | R144-F192 PolarHBondContact O-N 3.42Å; V146-F192 HydrophobicContact CB-CE2 4Å; V146-F192 HydrophobicContact CG2-CD2 4.06Å; V146-F192 HydrophobicContact CG2-CE2 3.62Å; F164-F192 HydrophobicContact CB-CE1 4.28Å; F164-F192 HydrophobicContact CB-CZ 4.05Å; F164-F192 HydrophobicContact CD1-CZ 4.43Å; F164-F192 HydrophobicContact CG-CZ 4.44Å; E169-F192 WeakPolarHBondContact O-CA 3.15Å; I170-F192 HydrophobicContact CD1-CE1 4.21Å; I170-F192 HydrophobicContact CG1-CD1 3.77Å; I170-F192 HydrophobicContact CG1-CE1 3.54Å; I170-F192 HydrophobicContact CG1-CZ 4.41Å; I190-F192 HydrophobicContact CB-CE2 4.16Å; I190-F192 HydrophobicContact CB-CZ 4.46Å; I190-F192 HydrophobicContact CG2-CD2 4.23Å; I190-F192 HydrophobicContact CG2-CE1 4.18Å; I190-F192 HydrophobicContact CG2-CE2 3.72Å; I190-F192 HydrophobicContact CG2-CZ 3.7Å; F192-S194 VanDerWaalsContact C-N 3.34Å; F192-V198 HydrophobicContact CD2-CG2 4.23Å; F192-A201 HydrophobicContact CE2-CB 4.01Å; F192-A201 HydrophobicContact CZ-CB 3.9Å |
| 193 | A | 94.3 | Very high | 94.4 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -66.5 | -38.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | R144 E169 | R144-A193 WeakPolarHBondContact CD-O 3.16Å; R144-A193 PolarHBondContact NH1-O 3.2Å; E169-A193 HydrophobicContact CB-CB 4.09Å; E169-A193 HydrophobicContact CG-CB 4.36Å; E169-A193 PolarHBondContact O-N 3.36Å |
| 194 | S | 93.8 | Very high | 94.6 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -121.3 | 148.7 | -174.1 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | F192 N196 S197 | F192-S194 VanDerWaalsContact C-N 3.34Å; S194-N196 VanDerWaalsContact C-N 3.29Å; S194-N196 PolarHBondContact OG-N 3.03Å; S194-S197 PolarHBondContact O-N 3.05Å |
| 195 | Q | 93 | Very high | 94.7 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.7 | -25.7 | 173.4 | -168.3 | 173.6 | 7.6 | 0 | 0 | 112.3 | R144 S197 V198 Q199 | R144-Q195 HydrophobicContact CG-CB 4.29Å; Q195-S197 PolarHBondContact O-N 3.43Å; Q195-V198 VanDerWaalsContact O-CB 3.26Å; Q195-V198 WeakPolarHBondContact O-CB 3.43Å; Q195-V198 PolarHBondContact O-N 3.12Å; Q195-V198 VanDerWaalsContact O-N 3.12Å; Q195-Q199 PolarHBondContact O-N 3.04Å |
| 196 | N | 94.5 | Very high | 94.8 | Very high | 114 Ų | 114 | 53 Ų | 53 | 61% | 0.61 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.3 | -34.7 | 176.4 | -64.9 | -10.7 | 0 | 0 | 0 | 111.1 | S194 V198 Q199 A200 | S194-N196 VanDerWaalsContact C-N 3.29Å; S194-N196 PolarHBondContact OG-N 3.03Å; N196-V198 PolarHBondContact O-N 3.39Å; N196-Q199 WeakPolarHBondContact O-CB 3.36Å; N196-Q199 PolarHBondContact O-N 3.47Å; N196-Q199 VanDerWaalsContact O-N 3.14Å; N196-A200 PolarHBondContact O-N 3.23Å; N196-A200 VanDerWaalsContact O-N 3.15Å |
| 197 | S | 95.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -28.5 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | C167 S194 Q195 A201 | C167-S197 WeakPolarHBondContact O-CA 3.31Å; C167-S197 WeakPolarHBondContact O-CB 3.31Å; C167-S197 PolarHBondContact O-OG 3.13Å; S194-S197 PolarHBondContact O-N 3.05Å; Q195-S197 PolarHBondContact O-N 3.43Å; S197-A201 VanDerWaalsContact O-CB 3.27Å; S197-A201 WeakPolarHBondContact O-CB 3.45Å; S197-A201 PolarHBondContact O-N 3.49Å |
| 198 | V | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 172.7 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | R144 V146 F192 Q195 N196 A201 V202 P218 | R144-V198 WeakPolarHBondContact O-CG2 3.11Å; V146-V198 HydrophobicContact CG2-CB 4.03Å; V146-V198 HydrophobicContact CG2-CG1 3.6Å; V146-V198 HydrophobicContact CG2-CG2 4.15Å; F192-V198 HydrophobicContact CD2-CG2 4.23Å; Q195-V198 VanDerWaalsContact O-CB 3.26Å; Q195-V198 WeakPolarHBondContact O-CB 3.43Å; Q195-V198 PolarHBondContact O-N 3.12Å; Q195-V198 VanDerWaalsContact O-N 3.12Å; N196-V198 PolarHBondContact O-N 3.39Å; V198-A201 PolarHBondContact O-N 3.45Å; V198-V202 VanDerWaalsContact O-CG2 3.24Å; V198-V202 WeakPolarHBondContact O-CG2 3.41Å; V198-V202 PolarHBondContact O-N 3.26Å; V198-P218 HydrophobicContact CG1-CB 4.21Å |
| 199 | Q | 94.9 | Very high | 94.7 | Very high | 121 Ų | 121 | 57.3 Ų | 57.3 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.4 | -47.8 | 179.2 | -64 | 178.7 | -9.5 | 0 | 0 | 110.9 | Q195 N196 A201 V202 E203 | Q195-Q199 PolarHBondContact O-N 3.04Å; N196-Q199 WeakPolarHBondContact O-CB 3.36Å; N196-Q199 PolarHBondContact O-N 3.47Å; N196-Q199 VanDerWaalsContact O-N 3.14Å; Q199-A201 VanDerWaalsContact C-N 3.28Å; Q199-A201 PolarHBondContact O-N 3.25Å; Q199-V202 WeakPolarHBondContact O-CB 3.4Å; Q199-V202 PolarHBondContact O-N 2.72Å; Q199-V202 VanDerWaalsContact O-N 3.09Å; Q199-E203 PolarHBondContact O-N 2.77Å; Q199-E203 VanDerWaalsContact O-N 3.08Å |
| 200 | A | 95.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -34.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C167 N196 E203 | C167-A200 HydrophobicContact CB-CB 4.1Å; N196-A200 PolarHBondContact O-N 3.23Å; N196-A200 VanDerWaalsContact O-N 3.15Å; A200-E203 PolarHBondContact O-N 3.44Å |
| 201 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.5 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V146 F164 C167 F192 S197 V198 Q199 E203 L204 V216 | V146-A201 HydrophobicContact CG2-CB 4.06Å; F164-A201 HydrophobicContact CD1-CB 4.07Å; F164-A201 HydrophobicContact CE1-CB 4.26Å; C167-A201 HydrophobicContact CB-CB 4.24Å; F192-A201 HydrophobicContact CE2-CB 4.01Å; F192-A201 HydrophobicContact CZ-CB 3.9Å; S197-A201 VanDerWaalsContact O-CB 3.27Å; S197-A201 WeakPolarHBondContact O-CB 3.45Å; S197-A201 PolarHBondContact O-N 3.49Å; V198-A201 PolarHBondContact O-N 3.45Å; Q199-A201 VanDerWaalsContact C-N 3.28Å; Q199-A201 PolarHBondContact O-N 3.25Å; A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 PolarHBondContact O-N 3.45Å; A201-L204 WeakPolarHBondContact O-CB 3.4Å; A201-L204 PolarHBondContact O-N 3.39Å; A201-L204 VanDerWaalsContact O-N 3.07Å; A201-V216 VanDerWaalsContact O-CG1 3.27Å; A201-V216 WeakPolarHBondContact O-CG1 3.33Å |
| 202 | V | 95.4 | Very high | 94.2 | Very high | 44 Ų | 44 | 66 Ų | 66 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.1 | -31.2 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V198 Q199 L204 D205 | V198-V202 VanDerWaalsContact O-CG2 3.24Å; V198-V202 WeakPolarHBondContact O-CG2 3.41Å; V198-V202 PolarHBondContact O-N 3.26Å; Q199-V202 WeakPolarHBondContact O-CB 3.4Å; Q199-V202 PolarHBondContact O-N 2.72Å; Q199-V202 VanDerWaalsContact O-N 3.09Å; V202-L204 PolarHBondContact O-N 2.99Å; V202-D205 VanDerWaalsContact O-CB 3.28Å; V202-D205 WeakPolarHBondContact O-CB 3.4Å; V202-D205 PolarHBondContact O-N 3.02Å; V202-D205 VanDerWaalsContact O-N 3.07Å |
| 203 | E | 94.9 | Very high | 94.2 | Very high | 154 Ų | 154 | 69.4 Ų | 69.4 | 72% | 0.72 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.2 | 172.2 | -66.3 | 172.1 | -174.8 | 0 | 0 | 113.6 | Q199 A200 A201 D205 | Q199-E203 PolarHBondContact O-N 2.77Å; Q199-E203 VanDerWaalsContact O-N 3.08Å; A200-E203 PolarHBondContact O-N 3.44Å; A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 PolarHBondContact O-N 3.45Å; E203-D205 PolarHBondContact O-N 2.99Å |
| 204 | L | 92.6 | Very high | 94.3 | Very high | 58 Ų | 58 | 68.1 Ų | 68.1 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 20.1 | 171.1 | -62.2 | -173.8 | 0 | 0 | 0 | 112.5 | Y163 C167 A201 V202 S207 | Y163-L204 HydrophobicContact CE1-CD1 4.37Å; C167-L204 WeakPolarHBondContact SG-CD1 3.32Å; A201-L204 WeakPolarHBondContact O-CB 3.4Å; A201-L204 PolarHBondContact O-N 3.39Å; A201-L204 VanDerWaalsContact O-N 3.07Å; V202-L204 PolarHBondContact O-N 2.99Å; L204-S207 VanDerWaalsContact O-CB 3.28Å; L204-S207 WeakPolarHBondContact O-CB 3.18Å; L204-S207 PolarHBondContact O-OG 3.16Å |
| 205 | D | 94.8 | Very high | 94.4 | Very high | 78 Ų | 78 | 71.8 Ų | 71.8 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 150.6 | 170.9 | 76.3 | -71.8 | 0 | 0 | 0 | 111.4 | V202 E203 S207 V216 | V202-D205 VanDerWaalsContact O-CB 3.28Å; V202-D205 WeakPolarHBondContact O-CB 3.4Å; V202-D205 PolarHBondContact O-N 3.02Å; V202-D205 VanDerWaalsContact O-N 3.07Å; E203-D205 PolarHBondContact O-N 2.99Å; D205-S207 PolarHBondContact O-N 3.2Å; D205-V216 HydrophobicContact CB-CB 4.33Å |
| 206 | E | 94.1 | Very high | 94.6 | Very high | 150 Ų | 150 | 66.6 Ų | 66.6 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 16.2 | -179.3 | -55.5 | -173.3 | 164.9 | 0 | 0 | 115.3 | V213 I214 | E206-V213 HydrophobicContact CB-CG1 4.11Å; E206-V213 WeakPolarHBondContact O-CG1 3.22Å; E206-I214 WeakPolarHBondContact CA-O 3.43Å; E206-I214 PolarHBondContact N-O 3.41Å; E206-I214 VanDerWaalsContact N-O 3.11Å |
| 207 | S | 94.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | trans | -77.8 | 159.7 | 174.6 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | Y163 L204 D205 V213 I214 | Y163-S207 WeakPolarHBondContact OH-CB 3.16Å; Y163-S207 PolarHBondContact OH-OG 2.87Å; L204-S207 VanDerWaalsContact O-CB 3.28Å; L204-S207 WeakPolarHBondContact O-CB 3.18Å; L204-S207 PolarHBondContact O-OG 3.16Å; D205-S207 PolarHBondContact O-N 3.2Å; S207-V213 CarbonylContact O-C 3.51Å; S207-V213 WeakPolarHBondContact O-CA 3.37Å; S207-I214 VanDerWaalsContact O-CG1 3.29Å; S207-I214 WeakPolarHBondContact O-CG1 3.36Å; S207-I214 PolarHBondContact O-N 3.47Å | ||
| 208 | T | 94.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 67.5 Ų | 67.5 | 61% | 0.607 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.3 | -175.3 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | R212 V213 | T208-R212 CarbonylContact C-O 3.51Å; T208-R212 WeakPolarHBondContact CA-O 3.37Å; T208-V213 HydrophobicContact CG2-CG2 4.03Å |
| 209 | F | 93.3 | Very high | 94.5 | Very high | 14 Ų | 14 | 69.3 Ų | 69.3 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.5 | 175.3 | 178.8 | -99.8 | 0 | 0 | 0 | 109.6 | V151 E159 L160 Y163 G211 R212 I214 | V151-F209 HydrophobicContact CG1-CD1 4.4Å; V151-F209 HydrophobicContact CG1-CE1 4.1Å; E159-F209 HydrophobicContact CB-CE2 4.04Å; E159-F209 HydrophobicContact CB-CZ 3.82Å; L160-F209 HydrophobicContact CD2-CE1 4.24Å; L160-F209 HydrophobicContact CD2-CE2 4.36Å; L160-F209 HydrophobicContact CD2-CZ 4.09Å; L160-F209 HydrophobicContact CG-CZ 4.46Å; Y163-F209 HydrophobicContact CD2-CD2 4.06Å; Y163-F209 HydrophobicContact CG-CD2 4.17Å; F209-G211 PolarHBondContact O-N 3.36Å; F209-G211 VanDerWaalsContact O-N 3.12Å; F209-R212 PolarHBondContact N-O 3.5Å; F209-R212 PolarHBondContact O-N 3.06Å; F209-I214 HydrophobicContact CB-CD1 4.4Å; F209-I214 HydrophobicContact CB-CG1 4.43Å; F209-I214 HydrophobicContact CB-CG2 3.68Å; F209-I214 HydrophobicContact CG-CG2 4.45Å |
| 210 | R | 90.5 | Very high | 94.2 | Very high | 126 Ų | 126 | 72.5 Ų | 72.5 | 48% | 0.475 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 36.5 | -177.5 | -61 | -176.1 | 70.8 | 156.5 | -8.5 | 113.8 | D152 G154 E159 R212 | D152-R210 HydrophobicContact CB-CB 4.17Å; D152-R210 IonicContact OD2-CZ 3.89Å; D152-R210 IonicContact OD2-NE 2.98Å; D152-R210 IonicContact OD2-NH2 3.18Å; G154-R210 VanDerWaalsContact C-NH1 3.29Å; G154-R210 PolarHBondContact O-NH1 2.92Å; E159-R210 IonicContact OE1-NH1 2.75Å; E159-R210 PolarHBondContact OE1-NH1 3.33Å; E159-R210 WeakPolarHBondContact OE2-CD 3.44Å; E159-R210 IonicContact OE2-CZ 3.98Å; E159-R210 IonicContact OE2-NE 3.72Å; E159-R210 IonicContact OE2-NH1 3.84Å; E159-R210 PolarHBondContact OE2-NH1 3.39Å; R210-R212 VanDerWaalsContact C-N 3.32Å |
| 211 | G | 92.3 | Very high | 93.7 | Very high | 77 Ų | 77 | 72.1 Ų | 72.1 | 79% | 0.794 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 8.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F209 | F209-G211 PolarHBondContact O-N 3.36Å; F209-G211 VanDerWaalsContact O-N 3.12Å |
| 212 | R | 94 | Very high | 92.8 | Very high | 84 Ų | 84 | 79.4 Ų | 79.4 | 32% | 0.317 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.3 | 172.9 | -61.5 | -174.6 | -174.4 | -178.8 | 4 | 110.5 | D152 T208 F209 R210 I214 | D152-R212 IonicContact OD1-CZ 3Å; D152-R212 IonicContact OD1-NE 2.63Å; D152-R212 PolarHBondContact OD1-NE 2.73Å; D152-R212 IonicContact OD1-NH1 3.21Å; D152-R212 IonicContact OD1-NH2 3.52Å; D152-R212 PolarHBondContact OD1-NH2 3.17Å; T208-R212 CarbonylContact C-O 3.51Å; T208-R212 WeakPolarHBondContact CA-O 3.37Å; F209-R212 PolarHBondContact N-O 3.5Å; F209-R212 PolarHBondContact O-N 3.06Å; R210-R212 VanDerWaalsContact C-N 3.32Å; R212-I214 PolarHBondContact O-N 2.94Å |
| 213 | V | 96.3 | Very high | 91.7 | Very high | 77 Ų | 77 | 81.3 Ų | 81.3 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 117.3 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | N150 E206 S207 T208 | N150-V213 PolarHBondContact ND2-O 3.46Å; E206-V213 HydrophobicContact CB-CG1 4.11Å; E206-V213 WeakPolarHBondContact O-CG1 3.22Å; S207-V213 CarbonylContact O-C 3.51Å; S207-V213 WeakPolarHBondContact O-CA 3.37Å; T208-V213 HydrophobicContact CG2-CG2 4.03Å |
| 214 | I | 96.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | trans | -87.9 | 150.8 | 179 | 55.1 | 163.8 | 0 | 0 | 0 | 111.1 | V148 G149 Y163 F164 E206 S207 F209 R212 V216 | V148-I214 HydrophobicContact CG1-CB 4.23Å; V148-I214 HydrophobicContact CG1-CD1 4.1Å; V148-I214 HydrophobicContact CG1-CG2 4.49Å; G149-I214 WeakPolarHBondContact O-CA 3.46Å; Y163-I214 HydrophobicContact CD1-CD1 4.34Å; Y163-I214 HydrophobicContact CE1-CD1 3.73Å; F164-I214 HydrophobicContact CE2-CD1 4.4Å; F164-I214 HydrophobicContact CZ-CD1 3.84Å; E206-I214 WeakPolarHBondContact CA-O 3.43Å; E206-I214 PolarHBondContact N-O 3.41Å; E206-I214 VanDerWaalsContact N-O 3.11Å; S207-I214 VanDerWaalsContact O-CG1 3.29Å; S207-I214 WeakPolarHBondContact O-CG1 3.36Å; S207-I214 PolarHBondContact O-N 3.47Å; F209-I214 HydrophobicContact CB-CD1 4.4Å; F209-I214 HydrophobicContact CB-CG1 4.43Å; F209-I214 HydrophobicContact CB-CG2 3.68Å; F209-I214 HydrophobicContact CG-CG2 4.45Å; R212-I214 PolarHBondContact O-N 2.94Å; I214-V216 HydrophobicContact CD1-CG2 3.94Å; I214-V216 HydrophobicContact CG1-CG2 4.35Å | ||
| 215 | K | 96.5 | Very high | 89 | Confident | 124 Ų | 124 | 81.6 Ų | 81.6 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.6 | 175.3 | -174.5 | 171.5 | -171 | 172.7 | 0 | 109.7 | V148 G149 L217 | V148-K215 CarbonylContact C-O 3.57Å; V148-K215 WeakPolarHBondContact CA-O 3.43Å; G149-K215 PolarHBondContact N-O 2.93Å; G149-K215 PolarHBondContact O-N 3.35Å; K215-L217 HydrophobicContact CD-CD1 4.46Å; K215-L217 HydrophobicContact CG-CG 4.35Å |
| 216 | V | 96.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 83.5 Ų | 83.5 | 1% | 0.012 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.1 | -179.1 | -167.4 | 0 | 0 | 0 | 0 | 109.3 | V146 Y147 F164 A201 D205 I214 | V146-V216 HydrophobicContact CG1-CG1 3.19Å; Y147-V216 WeakPolarHBondContact O-CA 3.46Å; F164-V216 HydrophobicContact CE1-CG1 4.36Å; F164-V216 HydrophobicContact CE1-CG2 4.16Å; F164-V216 HydrophobicContact CZ-CG2 3.98Å; A201-V216 VanDerWaalsContact O-CG1 3.27Å; A201-V216 WeakPolarHBondContact O-CG1 3.33Å; D205-V216 HydrophobicContact CB-CB 4.33Å; I214-V216 HydrophobicContact CD1-CG2 3.94Å; I214-V216 HydrophobicContact CG1-CG2 4.35Å |
| 217 | L | 95.7 | Very high | 86.1 | Confident | 73 Ų | 73 | 80.6 Ų | 80.6 | 38% | 0.382 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.8 | 178.5 | -67.5 | 176.7 | 0 | 0 | 0 | 109.9 | V146 Y147 K215 K219 | V146-L217 CarbonylContact C-O 3.55Å; V146-L217 WeakPolarHBondContact CG1-O 3.23Å; Y147-L217 WeakPolarHBondContact CA-O 3.5Å; Y147-L217 HydrophobicContact CD1-CB 4.23Å; Y147-L217 HydrophobicContact CD1-CD1 4.42Å; Y147-L217 PolarHBondContact N-O 2.72Å; Y147-L217 PolarHBondContact O-N 3.1Å; K215-L217 HydrophobicContact CD-CD1 4.46Å; K215-L217 HydrophobicContact CG-CG 4.35Å; L217-K219 PolarHBondContact O-N 3.24Å |
| 218 | P | 94.8 | Very high | 84.5 | Confident | 73 Ų | 73 | 83.9 Ų | 83.9 | 47% | 0.474 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 140.5 | 170.3 | 26.3 | -32.7 | 0 | 0 | 0 | 110.6 | V198 | V198-P218 HydrophobicContact CG1-CB 4.21Å |
| 219 | K | 94 | Very high | 82.9 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 20% | 0.204 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 138.2 | 179.2 | -173.6 | -177.9 | -178.4 | -172.4 | 0 | 109.6 | D142 S145 Y189 L217 | D142-K219 HydrophobicContact CB-CD 4.3Å; D142-K219 WeakPolarHBondContact OD1-CE 3.49Å; D142-K219 IonicContact OD1-NZ 3.69Å; D142-K219 PolarHBondContact OD1-NZ 2.79Å; S145-K219 WeakPolarHBondContact O-CB 3.28Å; S145-K219 PolarHBondContact O-N 2.82Å; Y189-K219 HydrophobicContact CD1-CD 3.89Å; Y189-K219 HydrophobicContact CD1-CG 3.98Å; Y189-K219 HydrophobicContact CE1-CD 4.29Å; Y189-K219 HydrophobicContact CE1-CG 4.01Å; L217-K219 PolarHBondContact O-N 3.24Å |
| 220 | R | 87.7 | Confident | 81.1 | Confident | 189 Ų | 189 | 88.8 Ų | 88.8 | 71% | 0.713 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 127.6 | 173.2 | -67.3 | -178.7 | 176.2 | -175.4 | -4.3 | 109.7 | ||
| 221 | T | 84.9 | Confident | 79.5 | Confident | 22 Ų | 22 | 92.7 Ų | 92.7 | 14% | 0.135 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 123.6 | 169.7 | 50.7 | 0 | 0 | 0 | 0 | 109.6 | V139 D142 F223 | V139-T221 HydrophobicContact CG1-CG2 4.17Å; D142-T221 HydrophobicContact CB-CG2 3.66Å; T221-F223 HydrophobicContact CG2-CE2 4.5Å; T221-F223 PolarHBondContact O-N 3.1Å; T221-F223 WeakPolarHBondContact OG1-CE2 3.29Å |
| 222 | N | 75.6 | Confident | 77.6 | Confident | 153 Ų | 153 | 92.7 Ų | 92.7 | 82% | 0.818 | 52% | 0.515 | S | S | * | . | trans | -87.3 | 96.6 | 171.4 | -107.6 | -40.1 | 0 | 0 | 0 | 109 | P224 | N222-P224 WeakPolarHBondContact O-CD 3.44Š| ||
| 223 | F | 73.4 | Confident | 75.9 | Confident | 84 Ų | 84 | 92 Ų | 92 | 37% | 0.368 | 53% | 0.534 | S | S | . | . | trans | -81.3 | 116.2 | 166.7 | -68.5 | -75.2 | 0 | 0 | 0 | 108.6 | V139 T221 G225 I226 | V139-F223 HydrophobicContact CG1-CE1 3.93Å; V139-F223 HydrophobicContact CG1-CZ 3.7Å; V139-F223 HydrophobicContact CG2-CD1 4.45Å; V139-F223 HydrophobicContact CG2-CE1 3.8Å; V139-F223 HydrophobicContact CG2-CZ 4.31Å; T221-F223 HydrophobicContact CG2-CE2 4.5Å; T221-F223 PolarHBondContact O-N 3.1Å; T221-F223 WeakPolarHBondContact OG1-CE2 3.29Å; F223-G225 PolarHBondContact O-N 3.32Å; F223-G225 VanDerWaalsContact O-N 3.16Å; F223-I226 HydrophobicContact CB-CD1 3.96Å; F223-I226 HydrophobicContact CB-CG1 3.6Å; F223-I226 HydrophobicContact CD2-CD1 4.38Å; F223-I226 HydrophobicContact CG-CD1 4.31Å; F223-I226 HydrophobicContact CG-CG1 4.47Å; F223-I226 PolarHBondContact O-N 2.95Å | ||
| 224 | P | 64.7 | Low | 73.7 | Confident | 133 Ų | 133 | 95.1 Ų | 95.1 | 86% | 0.864 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 121 | 176.3 | 25.6 | -32.1 | 0 | 0 | 0 | 109.1 | N222 | N222-P224 WeakPolarHBondContact O-CD 3.44Š|
| 225 | G | 65.9 | Low | 71.4 | Confident | 85 Ų | 85 | 105.3 Ų | 105.3 | 88% | 0.876 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.3 | -11.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | F223 | F223-G225 PolarHBondContact O-N 3.32Å; F223-G225 VanDerWaalsContact O-N 3.16Å |
| 226 | I | 64.9 | Low | 69.2 | Low | 119 Ų | 119 | 104.3 Ų | 104.3 | 61% | 0.61 | 59% | 0.59 | S | S | * | * | trans | -132.2 | 105.1 | 172.5 | 51.5 | 159.6 | 0 | 0 | 0 | 110.4 | F223 S228 | F223-I226 HydrophobicContact CB-CD1 3.96Å; F223-I226 HydrophobicContact CB-CG1 3.6Å; F223-I226 HydrophobicContact CD2-CD1 4.38Å; F223-I226 HydrophobicContact CG-CD1 4.31Å; F223-I226 HydrophobicContact CG-CG1 4.47Å; F223-I226 PolarHBondContact O-N 2.95Å; I226-S228 PolarHBondContact O-N 3.46Å | ||
| 227 | S | 63 | Low | 66.9 | Low | 88 Ų | 88 | 111.8 Ų | 111.8 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | trans | -67.6 | 103.6 | 170.9 | 161.5 | 0 | 0 | 0 | 0 | 108.8 | T229 | S227-T229 PolarHBondContact O-N 2.99Å; S227-T229 PolarHBondContact OG-N 3.23Å; S227-T229 PolarHBondContact OG-O 3.07Å; S227-T229 PolarHBondContact OG-OG1 3.33Å | ||
| 228 | S | 60.1 | Low | 64.6 | Low | 92 Ų | 92 | 116.3 Ų | 116.3 | 64% | 0.643 | 65% | 0.648 | S | S | * | * | trans | -64.3 | -13.2 | 170.8 | 169.5 | 0 | 0 | 0 | 0 | 112.9 | I226 D230 | I226-S228 PolarHBondContact O-N 3.46Å; S228-D230 PolarHBondContact O-N 3.46Å | ||
| 229 | T | 61.5 | Low | 62.5 | Low | 47 Ų | 47 | 115.9 Ų | 115.9 | 29% | 0.288 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -72.2 | 115.1 | 166.1 | 26.4 | 0 | 0 | 0 | 0 | 109.6 | S227 R231 | S227-T229 PolarHBondContact O-N 2.99Å; S227-T229 PolarHBondContact OG-N 3.23Å; S227-T229 PolarHBondContact OG-O 3.07Å; S227-T229 PolarHBondContact OG-OG1 3.33Å; T229-R231 PolarHBondContact O-N 3.45Å |
| 230 | D | 55.9 | Low | 60.5 | Low | 169 Ų | 169 | 119.7 Ų | 119.7 | 90% | 0.904 | 69% | 0.689 | S | S | * | * | trans | -60 | 45.3 | 158.7 | -69.6 | -62.6 | 0 | 0 | 0 | 112.3 | S228 G232 | S228-D230 PolarHBondContact O-N 3.46Å; D230-G232 PolarHBondContact O-N 2.8Å | ||
| 231 | R | 55.7 | Low | 58.7 | Low | 207 Ų | 207 | 122.6 Ų | 122.6 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | trans | -78.7 | 76.4 | 160.3 | -74.1 | -177.3 | 180 | 160.8 | -0.2 | 105.7 | T229 G233 | T229-R231 PolarHBondContact O-N 3.45Å; R231-G233 PolarHBondContact O-N 3.23Å | ||
| 232 | G | 52.4 | Low | 56.6 | Low | 78 Ų | 78 | 125.8 Ų | 125.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -36.6 | 90 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D230 | D230-G232 PolarHBondContact O-N 2.8Š| ||
| 233 | G | 57.6 | Low | 55.2 | Low | 68 Ų | 68 | 127 Ų | 127 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | -115 | 47.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R231 | R231-G233 PolarHBondContact O-N 3.23Š| ||
| 234 | L | 50.3 | Low | 53.7 | Low | 143 Ų | 143 | 128.3 Ų | 128.3 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -160.6 | 76.2 | 157.2 | -141.1 | 72.8 | 0 | 0 | 0 | 110.7 | T236 | L234-T236 HydrophobicContact CD2-CG2 3.9Å; L234-T236 HydrophobicContact CG-CG2 3.99Å; L234-T236 PolarHBondContact O-N 3.13Å; L234-T236 VanDerWaalsContact O-N 3.07Å | ||
| 235 | R | 47.8 | Very low | 52.5 | Low | 215 Ų | 215 | 131.5 Ų | 131.5 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | -75.1 | 78.4 | 149.2 | -71.7 | -175.7 | -177.8 | -111.8 | -0.6 | 106.8 | H237 | R235-H237 PolarHBondContact O-N 2.86Š| ||
| 236 | T | 50.7 | Low | 51.1 | Low | 103 Ų | 103 | 135.2 Ų | 135.2 | 63% | 0.632 | 75% | 0.746 | S | S | * | * | trans | -59.6 | 87.4 | 151.8 | 31.5 | 0 | 0 | 0 | 0 | 106.6 | L234 L238 | L234-T236 HydrophobicContact CD2-CG2 3.9Å; L234-T236 HydrophobicContact CG-CG2 3.99Å; L234-T236 PolarHBondContact O-N 3.13Å; L234-T236 VanDerWaalsContact O-N 3.07Å; T236-L238 PolarHBondContact O-N 3.23Å | ||
| 237 | H | 48.1 | Very low | 49.7 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -68.4 | 66.7 | 155.9 | -80.5 | -79.8 | 0 | 0 | 0 | 107.6 | R235 | R235-H237 PolarHBondContact O-N 2.86Š| ||
| 238 | L | 48.2 | Very low | 48.2 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -100.4 | 76.3 | 166.7 | -155.8 | 81.5 | 0 | 0 | 0 | 107 | T236 | T236-L238 PolarHBondContact O-N 3.23Š| ||
| 239 | G | 51.3 | Low | 47.1 | Very low | 63 Ų | 63 | 138.5 Ų | 138.5 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | trans | 175.7 | 60.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 240 | S | 51.2 | Low | 45.9 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -172.4 | 52.5 | 159.6 | -76.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 241 | R | 50.6 | Low | 45.3 | Very low | 250 Ų | 250 | 142.4 Ų | 142.4 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -157.6 | 69.8 | 162.4 | -145 | 178.6 | -168.5 | -170.6 | 3 | 112.5 | ||
| 242 | A | 39.1 | Very low | 44.5 | Very low | 90 Ų | 90 | 143.5 Ų | 143.5 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -176.1 | 96.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 243 | Q | 46.8 | Very low | 44.1 | Very low | 179 Ų | 179 | 151.3 Ų | 151.3 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -109 | 116.9 | 152.9 | -77.8 | -67.9 | -26.4 | 0 | 0 | 105.7 | ||||
| 244 | P | 42.8 | Very low | 43.8 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -75.4 | 130.6 | 175.2 | 29.7 | -29.3 | 0 | 0 | 0 | 109.7 | L246 | P244-L246 PolarHBondContact O-N 3.48Š| ||
| 245 | F | 38.5 | Very low | 43.4 | Very low | 201 Ų | 201 | 158.1 Ų | 158.1 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -58.8 | 127.4 | 171.5 | -65.9 | -91.3 | 0 | 0 | 0 | 110.8 | ||||
| 246 | L | 36.8 | Very low | 42.7 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -142.5 | 132.7 | 157.2 | -76.4 | 179.9 | 0 | 0 | 0 | 111.6 | P244 | P244-L246 PolarHBondContact O-N 3.48Š| ||
| 247 | H | 35.9 | Very low | 42.6 | Very low | 175 Ų | 175 | 162.6 Ų | 162.6 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 88.3 | 97.3 | 160.5 | -89.3 | -87.2 | 0 | 0 | 0 | 122.2 | ||||
| 248 | S | 31.5 | Very low | 42.6 | Very low | 97 Ų | 97 | 161.2 Ų | 161.2 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | -44.9 | 150.2 | 128 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 249 | S | 35.5 | Very low | 42.2 | Very low | 96 Ų | 96 | 160.7 Ų | 160.7 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | cis | -176.6 | 161.1 | 14.2 | 41 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 250 | L | 38.2 | Very low | 41.5 | Very low | 136 Ų | 136 | 161.4 Ų | 161.4 | 71% | 0.712 | 81% | 0.807 | S | S | * | * | trans | 99.7 | 112.6 | 152.6 | -56.5 | -172.8 | 0 | 0 | 0 | 120.6 | ||||
| 251 | H | 43.1 | Very low | 41 | Very low | 162 Ų | 162 | 163.4 Ų | 163.4 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | trans | 84.7 | 131.5 | 148.6 | -50.3 | -10.5 | 0 | 0 | 0 | 115.5 | ||||
| 252 | R | 38.9 | Very low | 40.5 | Very low | 230 Ų | 230 | 156.5 Ų | 156.5 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | cis | -166.7 | 122.8 | 22.6 | -133.7 | -174.1 | -157.3 | -144 | 7.4 | 110.5 | ||||
| 253 | R | 44.3 | Very low | 40.6 | Very low | 243 Ų | 243 | 164 Ų | 164 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | 62.2 | 153 | 141.1 | -74.5 | -156.9 | 166.8 | -170.6 | -2.8 | 124.9 | ||||
| 254 | P | 49.6 | Very low | 40 | Very low | 110 Ų | 110 | 158.9 Ų | 158.9 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -113.3 | 168.4 | -155 | 40.9 | -27.7 | 0 | 0 | 0 | 114.2 | ||||
| 255 | R | 42.2 | Very low | 39.9 | Very low | 243 Ų | 243 | 166.1 Ų | 166.1 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -139.2 | 107.9 | 160.5 | -71.3 | -168 | -175 | 177.4 | 2.7 | 113.2 | ||||
| 256 | F | 33.3 | Very low | 39.9 | Very low | 202 Ų | 202 | 159.9 Ų | 159.9 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | trans | 45 | 113.3 | 133.3 | -84.8 | -92.6 | 0 | 0 | 0 | 120.9 | ||||
| 257 | R | 48.6 | Very low | 40.5 | Very low | 211 Ų | 211 | 163.6 Ų | 163.6 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -66.3 | 159.1 | 143.5 | -87.4 | -174.9 | 175.5 | -165.5 | -2 | 110.2 | ||||
| 258 | P | 48.5 | Very low | 40.7 | Very low | 129 Ų | 129 | 164.2 Ų | 164.2 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -123.9 | 150.5 | 120.6 | 31.3 | -21.2 | 0 | 0 | 0 | 112.7 | |||||
| 259 | H | 40.6 | Very low | 41.6 | Very low | 159 Ų | 159 | 164.3 Ų | 164.3 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -85.2 | 135.4 | 175.2 | -163.4 | 65.3 | 0 | 0 | 0 | 108.3 | ||||
| 260 | G | 35.7 | Very low | 42.5 | Very low | 77 Ų | 77 | 163.7 Ų | 163.7 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -149.1 | 117.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 261 | Q | 41.5 | Very low | 42.8 | Very low | 170 Ų | 170 | 168.2 Ų | 168.2 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -95.7 | 138.2 | -161.3 | -164.7 | 170.8 | 32.5 | 0 | 0 | 111.3 | ||||
| 262 | S | 38.3 | Very low | 42.8 | Very low | 104 Ų | 104 | 169.4 Ų | 169.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | 46.8 | 127.7 | 144.8 | -157.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 263 | R | 41.6 | Very low | 43 | Very low | 247 Ų | 247 | 163.4 Ų | 163.4 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | 150.5 | 112.2 | 145.6 | -83.2 | 160.5 | -170.4 | -159.9 | 4.9 | 105.5 | ||||
| 264 | G | 34.7 | Very low | 43.9 | Very low | 72 Ų | 72 | 155.6 Ų | 155.6 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | 122.6 | 131.5 | 54.2 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 265 | R | 40.8 | Very low | 44 | Very low | 263 Ų | 263 | 164.9 Ų | 164.9 | 99% | 0.992 | 81% | 0.808 | S | S | * | * | trans | 42.3 | 124.6 | 155.3 | -61.3 | -174 | 179.8 | -111.2 | 0.7 | 119.6 | ||||
| 266 | G | 37.6 | Very low | 44.1 | Very low | 70 Ų | 70 | 161 Ų | 161 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 162.7 | 72.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 115 | F268 | G266-F268 PolarHBondContact O-N 2.93Š| ||
| 267 | R | 51.1 | Low | 44.6 | Very low | 240 Ų | 240 | 158.8 Ų | 158.8 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -71.2 | 104.4 | 158.4 | -160.4 | -178.7 | -149.9 | -112 | 6.2 | 105.8 | ||||
| 268 | F | 39.2 | Very low | 44.4 | Very low | 187 Ų | 187 | 155.9 Ų | 155.9 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -120.6 | 105.2 | 170.8 | -119.4 | -87.2 | 0 | 0 | 0 | 108.1 | G266 | G266-F268 PolarHBondContact O-N 2.93Š| ||
| 269 | S | 50.2 | Low | 44.2 | Very low | 99 Ų | 99 | 157.5 Ų | 157.5 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -80.7 | 133.5 | 159.2 | -58 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 270 | P | 54.8 | Low | 44.4 | Very low | 83 Ų | 83 | 157.4 Ų | 157.4 | 54% | 0.539 | 80% | 0.799 | S | S | . | * | trans | -135.8 | 134.3 | 153.7 | 45.1 | -32.2 | 0 | 0 | 0 | 107.4 | ||||
| 271 | W | 44.5 | Very low | 45 | Very low | 232 Ų | 232 | 162.7 Ų | 162.7 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | -167.6 | 134.5 | 50 | -74.4 | 85.4 | 0 | 0 | 0 | 108.5 | |||||
| 272 | F | 43.4 | Very low | 45.2 | Very low | 187 Ų | 187 | 162.2 Ų | 162.2 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | trans | -100.6 | 135.3 | 149.9 | 173.3 | -95 | 0 | 0 | 0 | 105.6 | P274 | F272-P274 HydrophobicContact CE1-CB 4.31Å; F272-P274 HydrophobicContact CE1-CG 4.41Å; F272-P274 HydrophobicContact CZ-CB 4.47Å | ||
| 273 | S | 42.9 | Very low | 45.8 | Very low | 103 Ų | 103 | 166.7 Ų | 166.7 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -147 | 132.9 | 161.2 | -163.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 274 | P | 62.6 | Low | 46.1 | Very low | 79 Ų | 79 | 160 Ų | 160 | 51% | 0.513 | 80% | 0.795 | S | S | . | * | trans | -90 | 156 | -175.5 | 37.1 | -33.8 | 0 | 0 | 0 | 111.5 | F272 | F272-P274 HydrophobicContact CE1-CB 4.31Å; F272-P274 HydrophobicContact CE1-CG 4.41Å; F272-P274 HydrophobicContact CZ-CB 4.47Å | ||
| 275 | Y | 51.5 | Low | 47.1 | Very low | 305 Ų | 305 | 168 Ų | 168 | 100% | 1.196 | 80% | 0.8 | S | S | * | * | -157.2 | 0 | 120.3 | -90.6 | -71.3 | 0 | 0 | 0 | 108.3 |
Retrieved 275 of 275 residues in 49.1 ms
(Link to these results)