| 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 | 68.6 | Low | 68.6 | Low | 249 Ų | 249 | 139.1 Ų | 139.1 | 100% | 1.227 | 87% | 0.874 | S | S | * | * | 0 | 101.9 | 0 | -102 | 136.3 | -124.6 | 0 | 0 | 107.3 | |||||
| 2 | G | 68.4 | Low | 67.2 | Low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 87% | 0.872 | S | S | * | * | trans | -94.2 | 138.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | C | 79.1 | Confident | 66.3 | Low | 140 Ų | 140 | 143.6 Ų | 143.6 | 95% | 0.946 | 88% | 0.876 | S | S | * | * | trans | -102.3 | 115.9 | 164 | -64.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | A | 55.3 | Low | 65.6 | Low | 107 Ų | 107 | 143.4 Ų | 143.4 | 88% | 0.884 | 87% | 0.867 | S | S | * | * | trans | -103.6 | 127 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 5 | S | 66 | Low | 64.9 | Low | 129 Ų | 129 | 146.4 Ų | 146.4 | 90% | 0.902 | 87% | 0.868 | S | S | * | * | trans | -129.9 | 131.7 | 166.2 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | A | 73.6 | Confident | 64.2 | Low | 99 Ų | 99 | 148.3 Ų | 148.3 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | trans | -93.3 | 165.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 7 | K | 65.4 | Low | 63.3 | Low | 191 Ų | 191 | 150.7 Ų | 150.7 | 83% | 0.83 | 87% | 0.866 | S | S | * | * | trans | -63.3 | 155 | -165.9 | -57.7 | 168.3 | 177.4 | 178.3 | 0 | 114.9 | ||||
| 8 | H | 73.6 | Confident | 62.5 | Low | 190 Ų | 190 | 146.9 Ų | 146.9 | 88% | 0.88 | 86% | 0.856 | S | S | * | * | trans | -124.5 | 121.4 | 138.4 | -123.7 | -87 | 0 | 0 | 0 | 108.1 | ||||
| 9 | V | 64.3 | Low | 62.1 | Low | 122 Ų | 122 | 149.6 Ų | 149.6 | 74% | 0.739 | 86% | 0.86 | S | S | * | * | trans | -109.8 | 113.1 | 166.7 | 173 | 0 | 0 | 0 | 0 | 105 | ||||
| 10 | A | 72.5 | Confident | 61.9 | Low | 92 Ų | 92 | 152.3 Ų | 152.3 | 76% | 0.76 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 132.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 11 | T | 68.4 | Low | 61.7 | Low | 131 Ų | 131 | 147.9 Ų | 147.9 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 145.9 | -177.6 | 44.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 12 | V | 51.3 | Low | 61.4 | Low | 141 Ų | 141 | 144.1 Ų | 144.1 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132 | 176.6 | -158.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 13 | Q | 55.9 | Low | 61.3 | Low | 196 Ų | 196 | 148.5 Ų | 148.5 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 134 | 159 | -73.9 | -173 | -26.7 | 0 | 0 | 108.9 | ||
| 14 | N | 55.7 | Low | 60.5 | Low | 141 Ų | 141 | 150.9 Ų | 150.9 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | -112.7 | 118.2 | -169.4 | 149 | 23.3 | 0 | 0 | 0 | 106.2 | ||||
| 15 | E | 55.8 | Low | 61.6 | Low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -151.5 | 108.2 | 155.8 | -60.3 | -170.2 | 168 | 0 | 0 | 110.4 | ||||
| 16 | E | 52.8 | Low | 61.7 | Low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | 74.3 | 107 | 128.7 | -154 | 168.9 | 117.2 | 0 | 0 | 120.9 | |||||
| 17 | E | 49.8 | Very low | 60.9 | Low | 189 Ų | 189 | 153.2 Ų | 153.2 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -52 | 126.5 | 149.9 | -72.3 | 174.3 | 112.5 | 0 | 0 | 111.2 | ||||
| 18 | A | 49.2 | Very low | 60.5 | Low | 83 Ų | 83 | 151.1 Ų | 151.1 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | 158.5 | 100.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 19 | Q | 54.8 | Low | 60 | Low | 198 Ų | 198 | 148.1 Ų | 148.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -151.4 | 109.1 | 141.8 | -149.5 | 88 | 39.5 | 0 | 0 | 111.1 | ||||
| 20 | K | 57.1 | Low | 59.7 | Low | 202 Ų | 202 | 149.1 Ų | 149.1 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -50.8 | 139.4 | 170.2 | -73 | -177 | 169.1 | -177.5 | 0 | 113.2 | ||||
| 21 | G | 58.2 | Low | 59.2 | Low | 61 Ų | 61 | 147.8 Ų | 147.8 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | 85.6 | 97.5 | 127.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 22 | K | 63 | Low | 58.9 | Low | 169 Ų | 169 | 147.5 Ų | 147.5 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | trans | -141.5 | 106.1 | 148.1 | -61.9 | -63.2 | 161.8 | -172.2 | 0 | 108.6 | Y24 | K22-Y24 HydrophobicContact CB-CD2 4.18Å; K22-Y24 HydrophobicContact CB-CE2 3.53Å; K22-Y24 WeakPolarHBondContact O-CD2 3.49Å; K22-Y24 PolarHBondContact O-N 3.02Å | ||
| 23 | N | 66.2 | Low | 59.3 | Low | 172 Ų | 172 | 148.1 Ų | 148.1 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | trans | -72.3 | 118.2 | 165.8 | -74.8 | -29.7 | 0 | 0 | 0 | 107.5 | ||||
| 24 | Y | 61.9 | Low | 59.5 | Low | 190 Ų | 190 | 148 Ų | 148 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | trans | -100.7 | 99 | 169 | -68 | -85 | 0 | 0 | 0 | 108.1 | K22 | K22-Y24 HydrophobicContact CB-CD2 4.18Å; K22-Y24 HydrophobicContact CB-CE2 3.53Å; K22-Y24 WeakPolarHBondContact O-CD2 3.49Å; K22-Y24 PolarHBondContact O-N 3.02Å | ||
| 25 | Q | 77.2 | Confident | 59.9 | Low | 182 Ų | 182 | 150.8 Ų | 150.8 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -91.9 | 100.8 | 167 | -177.8 | 178.3 | -16.5 | 0 | 0 | 107.1 | G27 | Q25-G27 VanDerWaalsContact C-N 3.28Å; Q25-G27 PolarHBondContact O-N 3Å | ||
| 26 | N | 68.7 | Low | 60.5 | Low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | -78 | 85.5 | 170.5 | -65.7 | -42.9 | 0 | 0 | 0 | 107.8 | ||||
| 27 | G | 58.1 | Low | 61.2 | Low | 48 Ų | 48 | 149.4 Ų | 149.4 | 50% | 0.495 | 76% | 0.757 | S | S | . | * | trans | -68.8 | 137.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q25 V29 | Q25-G27 VanDerWaalsContact C-N 3.28Å; Q25-G27 PolarHBondContact O-N 3Å; G27-V29 PolarHBondContact O-N 3.2Å | ||
| 28 | D | 56.5 | Low | 62.3 | Low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -57.6 | 97.4 | 173.9 | -174.5 | 13.3 | 0 | 0 | 0 | 110.7 | ||||
| 29 | V | 62.7 | Low | 63.2 | Low | 126 Ų | 126 | 148.5 Ų | 148.5 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | -108.2 | 5.1 | 179.5 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | G27 | G27-V29 PolarHBondContact O-N 3.2Š| ||
| 30 | F | 58.8 | Low | 63.9 | Low | 144 Ų | 144 | 147.5 Ų | 147.5 | 63% | 0.632 | 75% | 0.753 | S | S | * | * | trans | -110.4 | 49.3 | 179.3 | -76.6 | -83.7 | 0 | 0 | 0 | 112.1 | ||||
| 31 | G | 62.1 | Low | 64.6 | Low | 63 Ų | 63 | 146.8 Ų | 146.8 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -83.4 | -19.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 32 | D | 61.1 | Low | 65.1 | Low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -123.5 | -6.9 | -164.7 | -94.6 | -31.5 | 0 | 0 | 0 | 116.3 | R35 | D32-R35 IonicContact OD1-NH1 3.82Š|
| 33 | E | 60.7 | Low | 65.5 | Low | 155 Ų | 155 | 149.2 Ų | 149.2 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -16.2 | -175.9 | -159.8 | 163.8 | -164.1 | 0 | 0 | 113.4 | R35 | E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 2.74Å |
| 34 | Y | 59.1 | Low | 65.5 | Low | 193 Ų | 193 | 150.4 Ų | 150.4 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 34.1 | 176.2 | -64.6 | -80.7 | 0 | 0 | 0 | 113.8 | I36 | Y34-I36 PolarHBondContact O-N 2.94Š|
| 35 | R | 64.1 | Low | 65.6 | Low | 199 Ų | 199 | 150.1 Ų | 150.1 | 75% | 0.751 | 76% | 0.755 | S | S | * | * | trans | -62.9 | 89.6 | 162.9 | -80.5 | -173.1 | 156.8 | 98.4 | -0.4 | 108.3 | D32 E33 K37 | D32-R35 IonicContact OD1-NH1 3.82Å; E33-R35 VanDerWaalsContact C-N 3.26Å; E33-R35 PolarHBondContact O-N 2.74Å; R35-K37 PolarHBondContact O-N 3.2Å | ||
| 36 | I | 67.6 | Low | 64.9 | Low | 153 Ų | 153 | 149.5 Ų | 149.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -49.1 | 106.4 | 178 | -65 | 165.1 | 0 | 0 | 0 | 107.7 | Y34 | Y34-I36 PolarHBondContact O-N 2.94Š| ||
| 37 | K | 68.2 | Low | 64.4 | Low | 184 Ų | 184 | 148.3 Ų | 148.3 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -63.9 | 136.1 | 165.4 | -68.4 | -178.3 | -179.9 | 177.8 | 0 | 107 | R35 V39 | R35-K37 PolarHBondContact O-N 3.2Å; K37-V39 PolarHBondContact O-N 3.19Å | ||
| 38 | P | 73 | Confident | 64.4 | Low | 123 Ų | 123 | 148.1 Ų | 148.1 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -54.7 | 127.2 | 178.4 | 21.4 | -31.2 | 0 | 0 | 0 | 109.5 | E40 | P38-E40 PolarHBondContact O-N 3.48Š| ||
| 39 | V | 68 | Low | 64.6 | Low | 129 Ų | 129 | 144.5 Ų | 144.5 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | trans | -65.9 | 114.4 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 107.8 | K37 | K37-V39 PolarHBondContact O-N 3.19Š| ||
| 40 | E | 70.5 | Confident | 64.6 | Low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | trans | -71.4 | 128.6 | 170.7 | -161.5 | 170 | -164.3 | 0 | 0 | 108.6 | P38 V42 | P38-E40 PolarHBondContact O-N 3.48Å; E40-V42 PolarHBondContact O-N 3.02Å | ||
| 41 | E | 70.9 | Confident | 64.7 | Low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -65.2 | 105.7 | -177.1 | -67.6 | -175.1 | -179.6 | 0 | 0 | 110.9 | K43 | E41-K43 PolarHBondContact O-N 3.14Å; E41-K43 VanDerWaalsContact O-N 3.14Å | ||
| 42 | V | 68.2 | Low | 64.8 | Low | 106 Ų | 106 | 148.9 Ų | 148.9 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | trans | -76.5 | 101.8 | 175.2 | -113.2 | 0 | 0 | 0 | 0 | 109.9 | E40 Y44 | E40-V42 PolarHBondContact O-N 3.02Å; V42-Y44 HydrophobicContact CB-CD2 3.7Å; V42-Y44 HydrophobicContact CB-CE2 3.73Å; V42-Y44 HydrophobicContact CG1-CD2 3.77Å; V42-Y44 HydrophobicContact CG1-CE2 3.22Å; V42-Y44 PolarHBondContact O-N 2.88Å | ||
| 43 | K | 72.5 | Confident | 65 | Low | 174 Ų | 174 | 150 Ų | 150 | 76% | 0.757 | 73% | 0.73 | S | S | * | * | trans | -74.1 | 52.9 | -173.6 | -163.7 | -172.9 | 176.7 | -179 | 0 | 113.9 | E41 | E41-K43 PolarHBondContact O-N 3.14Å; E41-K43 VanDerWaalsContact O-N 3.14Å | ||
| 44 | Y | 66.1 | Low | 65.5 | Low | 198 Ų | 198 | 149.9 Ų | 149.9 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -95.1 | -5.8 | -177.1 | -65.6 | -62.6 | 0 | 0 | 0 | 115.4 | V42 | V42-Y44 HydrophobicContact CB-CD2 3.7Å; V42-Y44 HydrophobicContact CB-CE2 3.73Å; V42-Y44 HydrophobicContact CG1-CD2 3.77Å; V42-Y44 HydrophobicContact CG1-CE2 3.22Å; V42-Y44 PolarHBondContact O-N 2.88Å | ||
| 45 | M | 63.6 | Low | 66.2 | Low | 184 Ų | 184 | 144.9 Ų | 144.9 | 91% | 0.906 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -95.7 | -0.4 | -172.6 | -68.6 | 172.1 | 66 | 0 | 0 | 115.2 | N47 | M45-N47 VanDerWaalsContact C-N 3.32Å; M45-N47 PolarHBondContact O-N 3.41Å |
| 46 | K | 61.6 | Low | 66.7 | Low | 169 Ų | 169 | 138.1 Ų | 138.1 | 74% | 0.735 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -5.4 | -170 | -166.2 | 160.5 | 178.7 | 172 | 0 | 115.3 | ||
| 47 | N | 58.2 | Low | 67.1 | Low | 129 Ų | 129 | 133.8 Ų | 133.8 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 7.9 | -173.9 | -59 | -8.3 | 0 | 0 | 0 | 114.7 | M45 A49 | M45-N47 VanDerWaalsContact C-N 3.32Å; M45-N47 PolarHBondContact O-N 3.41Å; N47-A49 PolarHBondContact O-N 3.3Å |
| 48 | G | 58.9 | Low | 67.5 | Low | 45 Ų | 45 | 133.3 Ų | 133.3 | 46% | 0.464 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -68.6 | -30 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | E52 | G48-E52 VanDerWaalsContact O-CB 3.3Å; G48-E52 WeakPolarHBondContact O-CB 3.3Å; G48-E52 PolarHBondContact O-N 3.4Å |
| 49 | A | 60.4 | Low | 67.8 | Low | 70 Ų | 70 | 131.8 Ų | 131.8 | 58% | 0.579 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.7 | -31.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N47 | N47-A49 PolarHBondContact O-N 3.3Å |
| 50 | E | 62.3 | Low | 68.4 | Low | 154 Ų | 154 | 131.1 Ų | 131.1 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.7 | -30.2 | -178.2 | -64.4 | -173.6 | -179.7 | 0 | 0 | 112.4 | K54 | E50-K54 PolarHBondContact O-N 3.26Å |
| 51 | E | 62.3 | Low | 68.5 | Low | 128 Ų | 128 | 127 Ų | 127 | 60% | 0.598 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.6 | -38 | 177.6 | -168.9 | 163.6 | -162.6 | 0 | 0 | 111.4 | Q53 K54 I55 | E51-Q53 VanDerWaalsContact C-N 3.34Å; E51-Q53 PolarHBondContact O-N 3.47Å; E51-K54 PolarHBondContact O-N 2.98Å; E51-K54 VanDerWaalsContact O-N 3.17Å; E51-I55 HydrophobicContact CG-CD1 4.06Å; E51-I55 VanDerWaalsContact O-CG1 3.29Å; E51-I55 WeakPolarHBondContact O-CG1 3.37Å; E51-I55 PolarHBondContact O-N 3.17Å |
| 52 | E | 62.7 | Low | 68.5 | Low | 143 Ų | 143 | 121.7 Ų | 121.7 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.3 | -38.4 | 176.7 | -167.2 | 169.2 | -156.9 | 0 | 0 | 112.4 | G48 I55 A56 | G48-E52 VanDerWaalsContact O-CB 3.3Å; G48-E52 WeakPolarHBondContact O-CB 3.3Å; G48-E52 PolarHBondContact O-N 3.4Å; E52-I55 PolarHBondContact O-N 3.42Å; E52-A56 WeakPolarHBondContact O-CB 3.41Å; E52-A56 PolarHBondContact O-N 2.89Å |
| 53 | Q | 66.9 | Low | 68.6 | Low | 149 Ų | 149 | 122.7 Ų | 122.7 | 70% | 0.696 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 173.7 | -76.6 | -175.3 | 39.4 | 0 | 0 | 113 | E51 I55 A56 A57 | E51-Q53 VanDerWaalsContact C-N 3.34Å; E51-Q53 PolarHBondContact O-N 3.47Å; Q53-I55 VanDerWaalsContact C-N 3.35Å; Q53-A56 PolarHBondContact O-N 3.37Å; Q53-A57 PolarHBondContact O-N 3.11Å |
| 54 | K | 71.5 | Confident | 68.4 | Low | 153 Ų | 153 | 119.4 Ų | 119.4 | 67% | 0.665 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.8 | -37.7 | 176.1 | -74.1 | 176.8 | -179 | 172 | 0 | 111.7 | E50 E51 R58 | E50-K54 PolarHBondContact O-N 3.26Å; E51-K54 PolarHBondContact O-N 2.98Å; E51-K54 VanDerWaalsContact O-N 3.17Å; K54-R58 WeakPolarHBondContact O-CB 3.29Å; K54-R58 PolarHBondContact O-N 3.06Å; K54-R58 VanDerWaalsContact O-N 3.11Å |
| 55 | I | 72.5 | Confident | 68.5 | Low | 88 Ų | 88 | 115.9 Ų | 115.9 | 45% | 0.451 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.6 | -43.4 | 176 | -65.3 | 164 | 0 | 0 | 0 | 110.2 | E51 E52 Q53 R58 N59 | E51-I55 HydrophobicContact CG-CD1 4.06Å; E51-I55 VanDerWaalsContact O-CG1 3.29Å; E51-I55 WeakPolarHBondContact O-CG1 3.37Å; E51-I55 PolarHBondContact O-N 3.17Å; E52-I55 PolarHBondContact O-N 3.42Å; Q53-I55 VanDerWaalsContact C-N 3.35Å; I55-R58 PolarHBondContact O-N 2.95Å; I55-N59 WeakPolarHBondContact O-CB 3.46Å; I55-N59 PolarHBondContact O-N 3.41Å; I55-N59 PolarHBondContact O-ND2 3.48Å |
| 56 | A | 75 | Confident | 68.4 | Low | 56 Ų | 56 | 110.5 Ų | 110.5 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.5 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E52 Q53 R58 N59 Q60 | E52-A56 WeakPolarHBondContact O-CB 3.41Å; E52-A56 PolarHBondContact O-N 2.89Å; Q53-A56 PolarHBondContact O-N 3.37Å; A56-R58 PolarHBondContact O-N 3.08Å; A56-N59 PolarHBondContact O-N 2.77Å; A56-Q60 PolarHBondContact O-N 3.37Å; A56-Q60 VanDerWaalsContact O-N 3.08Å |
| 57 | A | 75.1 | Confident | 68.3 | Low | 63 Ų | 63 | 105.4 Ų | 105.4 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.1 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q53 Q60 E61 | Q53-A57 PolarHBondContact O-N 3.11Å; A57-Q60 PolarHBondContact O-N 3.23Å; A57-E61 PolarHBondContact O-N 3.04Å |
| 58 | R | 78.3 | Confident | 68.3 | Low | 174 Ų | 174 | 103.2 Ų | 103.2 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.4 | -38.8 | 176.6 | -177.9 | 178.5 | 173.4 | 151.6 | 0.9 | 112.1 | K54 I55 A56 E61 N62 | K54-R58 WeakPolarHBondContact O-CB 3.29Å; K54-R58 PolarHBondContact O-N 3.06Å; K54-R58 VanDerWaalsContact O-N 3.11Å; I55-R58 PolarHBondContact O-N 2.95Å; A56-R58 PolarHBondContact O-N 3.08Å; R58-E61 PolarHBondContact O-N 3.17Å; R58-N62 PolarHBondContact O-N 3.29Å; R58-N62 PolarHBondContact O-ND2 3.29Å |
| 59 | N | 78.9 | Confident | 68.2 | Low | 90 Ų | 90 | 104.4 Ų | 104.4 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66 | -39.9 | 179.2 | -74.5 | -14 | 0 | 0 | 0 | 111.6 | I55 A56 N62 L63 | I55-N59 WeakPolarHBondContact O-CB 3.46Å; I55-N59 PolarHBondContact O-N 3.41Å; I55-N59 PolarHBondContact O-ND2 3.48Å; A56-N59 PolarHBondContact O-N 2.77Å; N59-N62 PolarHBondContact O-N 3.22Å; N59-L63 PolarHBondContact O-N 3.42Å |
| 60 | Q | 80.1 | Confident | 67.9 | Low | 115 Ų | 115 | 105.3 Ų | 105.3 | 54% | 0.537 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 174.8 | -173.8 | -179.9 | -4 | 0 | 0 | 111.8 | A56 A57 N62 L63 E64 | A56-Q60 PolarHBondContact O-N 3.37Å; A56-Q60 VanDerWaalsContact O-N 3.08Å; A57-Q60 PolarHBondContact O-N 3.23Å; Q60-N62 VanDerWaalsContact C-N 3.28Å; Q60-N62 PolarHBondContact O-N 3.18Å; Q60-L63 WeakPolarHBondContact O-CB 3.45Å; Q60-L63 PolarHBondContact O-N 3.43Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.41Å; Q60-E64 PolarHBondContact NE2-OE1 3.44Å; Q60-E64 WeakPolarHBondContact O-CG 3.48Å; Q60-E64 PolarHBondContact O-N 3.32Å; Q60-E64 VanDerWaalsContact O-N 3.08Å |
| 61 | E | 72.7 | Confident | 67.5 | Low | 90 Ų | 90 | 103.6 Ų | 103.6 | 42% | 0.421 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 178.1 | -170.4 | -164.2 | 159.7 | 0 | 0 | 112.3 | A57 R58 E64 K65 | A57-E61 PolarHBondContact O-N 3.04Å; R58-E61 PolarHBondContact O-N 3.17Å; E61-E64 PolarHBondContact O-N 2.99Å; E61-K65 HydrophobicContact CG-CD 4.19Å; E61-K65 WeakPolarHBondContact O-CB 3.06Å; E61-K65 VanDerWaalsContact O-CG 3.29Å; E61-K65 WeakPolarHBondContact O-CG 3.46Å; E61-K65 PolarHBondContact O-N 3.19Å; E61-K65 WeakPolarHBondContact OE1-CE 3.29Å; E61-K65 IonicContact OE1-NZ 2.59Å; E61-K65 PolarHBondContact OE1-NZ 2.75Å |
| 62 | N | 71.2 | Confident | 66.9 | Low | 77 Ų | 77 | 108.5 Ų | 108.5 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.3 | -33.9 | 179.4 | -78 | -76.3 | 0 | 0 | 0 | 112.7 | R58 N59 Q60 S66 | R58-N62 PolarHBondContact O-N 3.29Å; R58-N62 PolarHBondContact O-ND2 3.29Å; N59-N62 PolarHBondContact O-N 3.22Å; Q60-N62 VanDerWaalsContact C-N 3.28Å; Q60-N62 PolarHBondContact O-N 3.18Å; N62-S66 WeakPolarHBondContact O-CB 3.42Å; N62-S66 PolarHBondContact O-N 3.3Å; N62-S66 PolarHBondContact O-OG 2.59Å |
| 63 | L | 70.9 | Confident | 66.3 | Low | 128 Ų | 128 | 108.3 Ų | 108.3 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -45.6 | 172.5 | -92.6 | 143.4 | 0 | 0 | 0 | 111.4 | N59 Q60 S66 A67 | N59-L63 PolarHBondContact O-N 3.42Å; Q60-L63 WeakPolarHBondContact O-CB 3.45Å; Q60-L63 PolarHBondContact O-N 3.43Å; L63-S66 PolarHBondContact O-N 3.08Å; L63-A67 PolarHBondContact O-N 3.02Å |
| 64 | E | 66.7 | Low | 65.4 | Low | 104 Ų | 104 | 109.9 Ų | 109.9 | 49% | 0.486 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.8 | -39 | -179.2 | -68.5 | 173.2 | -179.3 | 0 | 0 | 112.5 | Q60 E61 S66 A67 S68 | Q60-E64 WeakPolarHBondContact CG-OE1 3.41Å; Q60-E64 PolarHBondContact NE2-OE1 3.44Å; Q60-E64 WeakPolarHBondContact O-CG 3.48Å; Q60-E64 PolarHBondContact O-N 3.32Å; Q60-E64 VanDerWaalsContact O-N 3.08Å; E61-E64 PolarHBondContact O-N 2.99Å; E64-S66 VanDerWaalsContact C-N 3.35Å; E64-A67 PolarHBondContact O-N 2.85Å; E64-S68 WeakPolarHBondContact O-CB 3.28Å; E64-S68 PolarHBondContact O-N 2.7Å; E64-S68 PolarHBondContact O-OG 3.2Å |
| 65 | K | 68.5 | Low | 64.2 | Low | 124 Ų | 124 | 109.1 Ų | 109.1 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.3 | -40.4 | 173.2 | -77.1 | 175.2 | 170.2 | -175.8 | 0 | 112.4 | E61 S69 | E61-K65 HydrophobicContact CG-CD 4.19Å; E61-K65 WeakPolarHBondContact O-CB 3.06Å; E61-K65 VanDerWaalsContact O-CG 3.29Å; E61-K65 WeakPolarHBondContact O-CG 3.46Å; E61-K65 PolarHBondContact O-N 3.19Å; E61-K65 WeakPolarHBondContact OE1-CE 3.29Å; E61-K65 IonicContact OE1-NZ 2.59Å; E61-K65 PolarHBondContact OE1-NZ 2.75Å; K65-S69 PolarHBondContact O-N 3.34Å |
| 66 | S | 61 | Low | 62.6 | Low | 71 Ų | 71 | 112.5 Ų | 112.5 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.9 | -38.6 | 179.6 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | N62 L63 E64 S69 | N62-S66 WeakPolarHBondContact O-CB 3.42Å; N62-S66 PolarHBondContact O-N 3.3Å; N62-S66 PolarHBondContact O-OG 2.59Å; L63-S66 PolarHBondContact O-N 3.08Å; E64-S66 VanDerWaalsContact C-N 3.35Å; S66-S69 PolarHBondContact O-OG 3.15Å; S66-S69 VanDerWaalsContact O-OG 3.09Å |
| 67 | A | 60 | Low | 61.3 | Low | 62 Ų | 62 | 117.8 Ų | 117.8 | 51% | 0.512 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L63 E64 S69 N70 | L63-A67 PolarHBondContact O-N 3.02Å; E64-A67 PolarHBondContact O-N 2.85Å; A67-S69 VanDerWaalsContact C-N 3.32Å; A67-S69 PolarHBondContact O-N 3.35Å; A67-N70 PolarHBondContact O-N 3.33Å |
| 68 | S | 59 | Low | 59.5 | Low | 84 Ų | 84 | 122.4 Ų | 122.4 | 59% | 0.587 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.4 | -25.6 | -177.1 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | E64 N70 | E64-S68 WeakPolarHBondContact O-CB 3.28Å; E64-S68 PolarHBondContact O-N 2.7Å; E64-S68 PolarHBondContact O-OG 3.2Å; S68-N70 VanDerWaalsContact C-N 3.3Å; S68-N70 PolarHBondContact O-N 2.91Å |
| 69 | S | 55.9 | Low | 58.1 | Low | 69 Ų | 69 | 120.3 Ų | 120.3 | 48% | 0.483 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -20.7 | 177.9 | 78.6 | 0 | 0 | 0 | 0 | 113.9 | K65 S66 A67 | K65-S69 PolarHBondContact O-N 3.34Å; S66-S69 PolarHBondContact O-OG 3.15Å; S66-S69 VanDerWaalsContact O-OG 3.09Å; A67-S69 VanDerWaalsContact C-N 3.32Å; A67-S69 PolarHBondContact O-N 3.35Å |
| 70 | N | 54.3 | Low | 56.6 | Low | 89 Ų | 89 | 122.5 Ų | 122.5 | 48% | 0.476 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | -8.9 | -176.9 | -84.8 | -50.9 | 0 | 0 | 0 | 114.4 | A67 S68 R87 | A67-N70 PolarHBondContact O-N 3.33Å; S68-N70 VanDerWaalsContact C-N 3.3Å; S68-N70 PolarHBondContact O-N 2.91Å; N70-R87 PolarHBondContact OD1-NH1 3.35Å; N70-R87 VanDerWaalsContact OD1-NH1 3.16Å |
| 71 | V | 54.3 | Low | 54.8 | Low | 119 Ų | 119 | 119.4 Ų | 119.4 | 72% | 0.721 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -20.7 | -175.4 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 72 | R | 48.6 | Very low | 54 | Low | 230 Ų | 230 | 123.1 Ų | 123.1 | 87% | 0.868 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -89.9 | 2.3 | -173.6 | -163.3 | 167.8 | -72.2 | -176.6 | -0.6 | 115.3 | ||
| 73 | L | 50.1 | Low | 53.2 | Low | 139 Ų | 139 | 125.9 Ų | 125.9 | 73% | 0.728 | 69% | 0.686 | S | S | * | * | trans | -120.8 | 66.2 | -178.9 | -62.7 | 173.8 | 0 | 0 | 0 | 111.1 | ||||
| 74 | K | 49.1 | Very low | 52.8 | Low | 183 Ų | 183 | 128.1 Ų | 128.1 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | trans | -136.5 | 59.8 | 172.1 | -70.6 | -168 | 174.4 | -176.1 | 0 | 111.6 | ||||
| 75 | T | 45 | Very low | 52.3 | Low | 136 Ų | 136 | 131.1 Ų | 131.1 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | trans | -148.7 | 66.2 | 163.9 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 76 | N | 39.9 | Very low | 52.1 | Low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | trans | -146.9 | 87.8 | 159.9 | -152.9 | -105.6 | 0 | 0 | 0 | 110.9 | ||||
| 77 | K | 46.8 | Very low | 51.9 | Low | 167 Ų | 167 | 135.9 Ų | 135.9 | 73% | 0.726 | 73% | 0.727 | S | S | * | * | trans | -7.1 | 118.4 | 139.8 | -88.2 | -173.8 | 167.3 | -174 | 0 | 116 | ||||
| 78 | E | 37.9 | Very low | 51.8 | Low | 160 Ų | 160 | 136.7 Ų | 136.7 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 63.3 | 84.3 | 135.9 | 24.6 | -160.9 | 122.2 | 0 | 0 | 117.7 | ||||
| 79 | V | 49.1 | Very low | 51.8 | Low | 131 Ų | 131 | 140.6 Ų | 140.6 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -157.8 | 120.8 | 134.6 | -176 | 0 | 0 | 0 | 0 | 108.2 | G81 | V79-G81 VanDerWaalsContact C-N 3.3Å; V79-G81 PolarHBondContact O-N 3.36Å | ||
| 80 | P | 46.4 | Very low | 52.9 | Low | 136 Ų | 136 | 145 Ų | 145 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -77.5 | 84.6 | 168.6 | 26.3 | -20 | 0 | 0 | 0 | 109.1 | ||||
| 81 | G | 42.5 | Very low | 54.3 | Low | 50 Ų | 50 | 149.6 Ų | 149.6 | 52% | 0.515 | 78% | 0.781 | S | S | . | * | trans | -141.8 | 59.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V79 V83 | V79-G81 VanDerWaalsContact C-N 3.3Å; V79-G81 PolarHBondContact O-N 3.36Å; G81-V83 PolarHBondContact O-N 3.09Å | ||
| 82 | L | 55.8 | Low | 55.8 | Low | 167 Ų | 167 | 148 Ų | 148 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -74.8 | 61.8 | 179.4 | -84.1 | 162.5 | 0 | 0 | 0 | 111 | H84 | L82-H84 PolarHBondContact O-N 3.4Š| ||
| 83 | V | 55.7 | Low | 57.9 | Low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -72.7 | 109.9 | 159.4 | -69.5 | 0 | 0 | 0 | 0 | 107 | G81 Q85 | G81-V83 PolarHBondContact O-N 3.09Å; V83-Q85 PolarHBondContact O-N 3Å | ||
| 84 | H | 61.4 | Low | 60 | Low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -40.7 | 120.5 | -174.9 | -77.7 | -159.7 | 0 | 0 | 0 | 113.1 | L82 P86 | L82-H84 PolarHBondContact O-N 3.4Å; H84-P86 VanDerWaalsContact O-CD 3.23Å; H84-P86 WeakPolarHBondContact O-CD 3.48Å | ||
| 85 | Q | 57.4 | Low | 62.2 | Low | 168 Ų | 168 | 135.5 Ų | 135.5 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -67.4 | 114.6 | 160.3 | -84.4 | -88.5 | -62.5 | 0 | 0 | 107.9 | V83 R87 | V83-Q85 PolarHBondContact O-N 3Å; Q85-R87 PolarHBondContact O-N 3.44Å | ||
| 86 | P | 63.8 | Low | 64.6 | Low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -70.3 | 97.2 | 179.4 | -10.7 | 26.7 | 0 | 0 | 0 | 108.6 | H84 | H84-P86 VanDerWaalsContact O-CD 3.23Å; H84-P86 WeakPolarHBondContact O-CD 3.48Å | ||
| 87 | R | 56.7 | Low | 67.1 | Low | 169 Ų | 169 | 130.1 Ų | 130.1 | 64% | 0.638 | 69% | 0.692 | S | S | * | * | trans | -86.9 | 116.5 | 170.6 | -76 | -174.3 | 153.4 | 167.4 | -8.8 | 108.6 | N70 Q85 | N70-R87 PolarHBondContact OD1-NH1 3.35Å; N70-R87 VanDerWaalsContact OD1-NH1 3.16Å; Q85-R87 PolarHBondContact O-N 3.44Å | ||
| 88 | A | 59 | Low | 69.5 | Low | 79 Ų | 79 | 127.3 Ų | 127.3 | 65% | 0.653 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 76.7 | 105.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118 | M90 | A88-M90 WeakPolarHBondContact O-CG 3.46Å; A88-M90 PolarHBondContact O-N 2.76Å |
| 89 | N | 58.8 | Low | 72.3 | Confident | 166 Ų | 166 | 125.3 Ų | 125.3 | 89% | 0.888 | 67% | 0.671 | S | S | * | * | trans | 38.7 | 15.7 | 151.2 | -65.9 | 14 | 0 | 0 | 0 | 121.4 | H91 | N89-H91 PolarHBondContact O-N 2.99Š| ||
| 90 | M | 77.7 | Confident | 74.5 | Confident | 160 Ų | 160 | 124.1 Ų | 124.1 | 79% | 0.788 | 66% | 0.655 | S | S | * | * | trans | -83.5 | 108.3 | 177.6 | -69.6 | -168.4 | -63.6 | 0 | 0 | 110.5 | A88 I92 | A88-M90 WeakPolarHBondContact O-CG 3.46Å; A88-M90 PolarHBondContact O-N 2.76Å; M90-I92 PolarHBondContact O-N 3.41Å | ||
| 91 | H | 85 | Confident | 76.8 | Confident | 187 Ų | 187 | 124.1 Ų | 124.1 | 87% | 0.866 | 64% | 0.638 | S | S | * | * | trans | -76.1 | 109.6 | 166.2 | -71.5 | -89.5 | 0 | 0 | 0 | 108.8 | N89 | N89-H91 PolarHBondContact O-N 2.99Š| ||
| 92 | I | 85.4 | Confident | 79.3 | Confident | 84 Ų | 84 | 127.4 Ų | 127.4 | 43% | 0.431 | 64% | 0.641 | S | S | . | * | trans | -88.1 | 134.5 | 169.1 | 61.6 | 177.5 | 0 | 0 | 0 | 110 | M90 Q96 Q97 | M90-I92 PolarHBondContact O-N 3.41Å; I92-Q96 HydrophobicContact CB-CB 4.21Å; I92-Q97 HydrophobicContact CD1-CG 3.36Å; I92-Q97 HydrophobicContact CG1-CG 3.8Å | ||
| 93 | S | 93.1 | Very high | 81.1 | Confident | 48 Ų | 48 | 122.8 Ų | 122.8 | 34% | 0.336 | 62% | 0.617 | S | S | . | * | trans | -69.6 | 163.6 | 174 | 66.3 | 0 | 0 | 0 | 0 | 111 | S95 Q96 Q97 | S93-S95 VanDerWaalsContact C-N 3.28Å; S93-S95 PolarHBondContact O-N 3.39Å; S93-S95 PolarHBondContact OG-OG 2.93Å; S93-Q96 WeakPolarHBondContact O-CB 3.08Å; S93-Q96 PolarHBondContact O-N 3.49Å; S93-Q96 VanDerWaalsContact O-N 3.15Å; S93-Q96 VanDerWaalsContact OG-CG 3.28Å; S93-Q96 WeakPolarHBondContact OG-CG 3.35Å; S93-Q96 PolarHBondContact OG-N 3.3Å; S93-Q97 PolarHBondContact O-N 3.16Å; S93-Q97 VanDerWaalsContact O-N 3.11Å | ||
| 94 | E | 93.9 | Very high | 82.8 | Confident | 161 Ų | 161 | 121.2 Ų | 121.2 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -57.3 | -42.9 | 172.3 | -176.6 | 178.4 | -163.1 | 0 | 0 | 111.6 | Q96 Q97 E98 | E94-Q96 VanDerWaalsContact C-N 3.29Å; E94-Q96 PolarHBondContact O-N 3.03Å; E94-Q97 WeakPolarHBondContact O-CB 3.46Å; E94-Q97 PolarHBondContact O-N 2.98Å; E94-Q97 VanDerWaalsContact O-N 3.16Å; E94-E98 PolarHBondContact O-N 3.11Å |
| 95 | S | 95.3 | Very high | 84.2 | Confident | 81 Ų | 81 | 117.3 Ų | 117.3 | 57% | 0.566 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.2 | -33 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | S93 F99 | S93-S95 VanDerWaalsContact C-N 3.28Å; S93-S95 PolarHBondContact O-N 3.39Å; S93-S95 PolarHBondContact OG-OG 2.93Å; S95-F99 WeakPolarHBondContact O-CB 3.42Å; S95-F99 PolarHBondContact O-N 3.23Å |
| 96 | Q | 94.6 | Very high | 85.8 | Confident | 87 Ų | 87 | 112.8 Ų | 112.8 | 41% | 0.407 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.4 | -42.3 | 174.2 | -73.7 | 169.3 | 13.3 | 0 | 0 | 111.1 | I92 S93 E94 E98 F99 F100 | I92-Q96 HydrophobicContact CB-CB 4.21Å; S93-Q96 WeakPolarHBondContact O-CB 3.08Å; S93-Q96 PolarHBondContact O-N 3.49Å; S93-Q96 VanDerWaalsContact O-N 3.15Å; S93-Q96 VanDerWaalsContact OG-CG 3.28Å; S93-Q96 WeakPolarHBondContact OG-CG 3.35Å; S93-Q96 PolarHBondContact OG-N 3.3Å; E94-Q96 VanDerWaalsContact C-N 3.29Å; E94-Q96 PolarHBondContact O-N 3.03Å; Q96-E98 VanDerWaalsContact C-N 3.29Å; Q96-E98 PolarHBondContact O-N 3.49Å; Q96-F99 PolarHBondContact O-N 3.48Å; Q96-F100 HydrophobicContact CB-CE2 4.32Å; Q96-F100 WeakPolarHBondContact O-CD2 3.48Å; Q96-F100 PolarHBondContact O-N 2.94Å |
| 97 | Q | 93.5 | Very high | 86.9 | Confident | 95 Ų | 95 | 112.7 Ų | 112.7 | 44% | 0.444 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.6 | -41.5 | 174.7 | -68.9 | 174.5 | 53.9 | 0 | 0 | 111.8 | I92 S93 E94 F100 R101 | I92-Q97 HydrophobicContact CD1-CG 3.36Å; I92-Q97 HydrophobicContact CG1-CG 3.8Å; S93-Q97 PolarHBondContact O-N 3.16Å; S93-Q97 VanDerWaalsContact O-N 3.11Å; E94-Q97 WeakPolarHBondContact O-CB 3.46Å; E94-Q97 PolarHBondContact O-N 2.98Å; E94-Q97 VanDerWaalsContact O-N 3.16Å; Q97-F100 PolarHBondContact O-N 3.28Å; Q97-R101 WeakPolarHBondContact O-CB 3.46Å; Q97-R101 PolarHBondContact O-N 3.45Å |
| 98 | E | 96.4 | Very high | 88.4 | Confident | 109 Ų | 109 | 112.9 Ų | 112.9 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.8 | -40.9 | 176.8 | -171 | 171.3 | -157.4 | 0 | 0 | 112.8 | E94 Q96 F100 R101 M102 | E94-E98 PolarHBondContact O-N 3.11Å; Q96-E98 VanDerWaalsContact C-N 3.29Å; Q96-E98 PolarHBondContact O-N 3.49Å; E98-F100 PolarHBondContact O-N 3.41Å; E98-R101 VanDerWaalsContact CA-NH2 3.33Å; E98-R101 PolarHBondContact O-N 2.86Å; E98-M102 PolarHBondContact O-N 3.47Å |
| 99 | F | 96.6 | Very high | 89.6 | Confident | 118 Ų | 118 | 115.5 Ų | 115.5 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.6 | -47.1 | 173.9 | 175.5 | -107.6 | 0 | 0 | 0 | 112 | S95 Q96 R101 M102 L103 | S95-F99 WeakPolarHBondContact O-CB 3.42Å; S95-F99 PolarHBondContact O-N 3.23Å; Q96-F99 PolarHBondContact O-N 3.48Å; F99-R101 PolarHBondContact O-N 3.06Å; F99-M102 PolarHBondContact O-N 2.84Å; F99-L103 HydrophobicContact CD1-CD1 4Å; F99-L103 HydrophobicContact CD1-CG 4.48Å; F99-L103 HydrophobicContact CE1-CD1 3.41Å; F99-L103 VanDerWaalsContact CE1-CD1 3.41Å; F99-L103 HydrophobicContact CE1-CG 4.1Å; F99-L103 HydrophobicContact CE2-CD1 4.41Å; F99-L103 HydrophobicContact CE2-CD2 4.34Å; F99-L103 HydrophobicContact CE2-CG 4.27Å; F99-L103 HydrophobicContact CZ-CD1 3.65Å; F99-L103 HydrophobicContact CZ-CD2 4.12Å; F99-L103 HydrophobicContact CZ-CG 3.98Å; F99-L103 WeakPolarHBondContact O-CG 3.46Å; F99-L103 PolarHBondContact O-N 3.02Å |
| 100 | F | 95.1 | Very high | 90.2 | Very high | 105 Ų | 105 | 109.6 Ų | 109.6 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.2 | -69.1 | -61.8 | 0 | 0 | 0 | 112.4 | Q96 Q97 E98 M102 L103 D104 | Q96-F100 HydrophobicContact CB-CE2 4.32Å; Q96-F100 WeakPolarHBondContact O-CD2 3.48Å; Q96-F100 PolarHBondContact O-N 2.94Å; Q97-F100 PolarHBondContact O-N 3.28Å; E98-F100 PolarHBondContact O-N 3.41Å; F100-M102 VanDerWaalsContact C-N 3.3Å; F100-M102 PolarHBondContact O-N 3.16Å; F100-L103 HydrophobicContact CD1-CD1 4.21Å; F100-L103 WeakPolarHBondContact O-CB 2.95Å; F100-L103 PolarHBondContact O-N 2.8Å; F100-L103 VanDerWaalsContact O-N 3.16Å; F100-D104 PolarHBondContact O-N 3.41Å |
| 101 | R | 94.3 | Very high | 89.7 | Confident | 137 Ų | 137 | 109.2 Ų | 109.2 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 174 | 175.5 | 171.1 | 46.9 | -107.3 | 1.8 | 112.2 | Q97 E98 F99 D104 E105 | Q97-R101 WeakPolarHBondContact O-CB 3.46Å; Q97-R101 PolarHBondContact O-N 3.45Å; E98-R101 VanDerWaalsContact CA-NH2 3.33Å; E98-R101 PolarHBondContact O-N 2.86Å; F99-R101 PolarHBondContact O-N 3.06Å; R101-D104 PolarHBondContact O-N 2.92Å; R101-E105 WeakPolarHBondContact O-CB 3.47Å; R101-E105 PolarHBondContact O-N 3.08Å |
| 102 | M | 95.4 | Very high | 88.8 | Confident | 119 Ų | 119 | 106.2 Ų | 106.2 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | 175.5 | -174.4 | 179.4 | -65 | 0 | 0 | 112 | E98 F99 F100 E105 K106 | E98-M102 PolarHBondContact O-N 3.47Å; F99-M102 PolarHBondContact O-N 2.84Å; F100-M102 VanDerWaalsContact C-N 3.3Å; F100-M102 PolarHBondContact O-N 3.16Å; M102-E105 PolarHBondContact O-N 2.92Å; M102-K106 WeakPolarHBondContact O-CB 3.45Å; M102-K106 PolarHBondContact O-N 3.5Å |
| 103 | L | 94.1 | Very high | 87.5 | Confident | 70 Ų | 70 | 109.9 Ų | 109.9 | 37% | 0.366 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 173.1 | -72 | -179.7 | 0 | 0 | 0 | 111.2 | F99 F100 E105 K106 I107 | F99-L103 HydrophobicContact CD1-CD1 4Å; F99-L103 HydrophobicContact CD1-CG 4.48Å; F99-L103 HydrophobicContact CE1-CD1 3.41Å; F99-L103 VanDerWaalsContact CE1-CD1 3.41Å; F99-L103 HydrophobicContact CE1-CG 4.1Å; F99-L103 HydrophobicContact CE2-CD1 4.41Å; F99-L103 HydrophobicContact CE2-CD2 4.34Å; F99-L103 HydrophobicContact CE2-CG 4.27Å; F99-L103 HydrophobicContact CZ-CD1 3.65Å; F99-L103 HydrophobicContact CZ-CD2 4.12Å; F99-L103 HydrophobicContact CZ-CG 3.98Å; F99-L103 WeakPolarHBondContact O-CG 3.46Å; F99-L103 PolarHBondContact O-N 3.02Å; F100-L103 HydrophobicContact CD1-CD1 4.21Å; F100-L103 WeakPolarHBondContact O-CB 2.95Å; F100-L103 PolarHBondContact O-N 2.8Å; F100-L103 VanDerWaalsContact O-N 3.16Å; L103-E105 PolarHBondContact O-N 3.01Å; L103-K106 CarbonylContact O-C 3.58Å; L103-K106 WeakPolarHBondContact O-CA 3.48Å; L103-K106 WeakPolarHBondContact O-CB 3.45Å; L103-K106 PolarHBondContact O-N 3.21Å; L103-I107 WeakPolarHBondContact O-CB 3.02Å; L103-I107 WeakPolarHBondContact O-CD1 3.34Å; L103-I107 WeakPolarHBondContact O-CG1 3.38Å; L103-I107 PolarHBondContact O-N 2.9Å |
| 104 | D | 91.4 | Very high | 85.8 | Confident | 103 Ų | 103 | 113.1 Ų | 113.1 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.1 | -45.7 | 177.8 | -69.3 | -23.8 | 0 | 0 | 0 | 110.9 | F100 R101 K106 I107 E108 | F100-D104 PolarHBondContact O-N 3.41Å; R101-D104 PolarHBondContact O-N 2.92Å; D104-K106 VanDerWaalsContact C-N 3.26Å; D104-K106 PolarHBondContact O-N 3.45Å; D104-I107 PolarHBondContact O-N 2.6Å; D104-E108 WeakPolarHBondContact O-CB 3.29Å; D104-E108 PolarHBondContact O-N 3.02Å |
| 105 | E | 91.8 | Very high | 83.9 | Confident | 92 Ų | 92 | 110.2 Ų | 110.2 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 173.6 | -173.2 | -170 | 151.8 | 0 | 0 | 111.6 | R101 M102 L103 K109 | R101-E105 WeakPolarHBondContact O-CB 3.47Å; R101-E105 PolarHBondContact O-N 3.08Å; M102-E105 PolarHBondContact O-N 2.92Å; L103-E105 PolarHBondContact O-N 3.01Å; E105-K109 HydrophobicContact CG-CD 4.21Å; E105-K109 VanDerWaalsContact O-CB 3.29Å; E105-K109 WeakPolarHBondContact O-CB 3.48Å; E105-K109 VanDerWaalsContact O-CG 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.45Å; E105-K109 PolarHBondContact O-N 2.79Å; E105-K109 WeakPolarHBondContact OE1-CE 3.22Å; E105-K109 IonicContact OE1-NZ 2.6Å; E105-K109 PolarHBondContact OE1-NZ 3.16Å |
| 106 | K | 89.3 | Confident | 81.9 | Confident | 72 Ų | 72 | 115.2 Ų | 115.2 | 31% | 0.313 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.8 | -36.5 | 178.8 | -168.4 | 60.7 | 166.8 | -160.2 | 0 | 112.5 | M102 L103 D104 Y113 | M102-K106 WeakPolarHBondContact O-CB 3.45Å; M102-K106 PolarHBondContact O-N 3.5Å; L103-K106 CarbonylContact O-C 3.58Å; L103-K106 WeakPolarHBondContact O-CA 3.48Å; L103-K106 WeakPolarHBondContact O-CB 3.45Å; L103-K106 PolarHBondContact O-N 3.21Å; D104-K106 VanDerWaalsContact C-N 3.26Å; D104-K106 PolarHBondContact O-N 3.45Å; K106-Y113 WeakPolarHBondContact CE-OH 3.24Å |
| 107 | I | 87.3 | Confident | 80.1 | Confident | 124 Ų | 124 | 118.8 Ų | 118.8 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.9 | -47 | 177.1 | -68.3 | 162.6 | 0 | 0 | 0 | 109.9 | L103 D104 K109 G110 | L103-I107 WeakPolarHBondContact O-CB 3.02Å; L103-I107 WeakPolarHBondContact O-CD1 3.34Å; L103-I107 WeakPolarHBondContact O-CG1 3.38Å; L103-I107 PolarHBondContact O-N 2.9Å; D104-I107 PolarHBondContact O-N 2.6Å; I107-K109 VanDerWaalsContact C-N 3.33Å; I107-K109 PolarHBondContact O-N 3.33Å; I107-G110 WeakPolarHBondContact O-CA 3.23Å; I107-G110 PolarHBondContact O-N 2.97Å |
| 108 | E | 88 | Confident | 78.2 | Confident | 173 Ų | 173 | 122.8 Ų | 122.8 | 81% | 0.808 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.5 | -37.4 | 179.2 | -175 | 173.8 | -146.7 | 0 | 0 | 111.9 | D104 G110 | D104-E108 WeakPolarHBondContact O-CB 3.29Å; D104-E108 PolarHBondContact O-N 3.02Å; E108-G110 PolarHBondContact O-N 3.12Å; E108-G110 VanDerWaalsContact O-N 3.12Å |
| 109 | K | 85.4 | Confident | 76.4 | Confident | 135 Ų | 135 | 126 Ų | 126 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -7.5 | 172.3 | -77 | 176.6 | 177.7 | 174.4 | 0 | 113.8 | E105 I107 R111 | E105-K109 HydrophobicContact CG-CD 4.21Å; E105-K109 VanDerWaalsContact O-CB 3.29Å; E105-K109 WeakPolarHBondContact O-CB 3.48Å; E105-K109 VanDerWaalsContact O-CG 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.45Å; E105-K109 PolarHBondContact O-N 2.79Å; E105-K109 WeakPolarHBondContact OE1-CE 3.22Å; E105-K109 IonicContact OE1-NZ 2.6Å; E105-K109 PolarHBondContact OE1-NZ 3.16Å; I107-K109 VanDerWaalsContact C-N 3.33Å; I107-K109 PolarHBondContact O-N 3.33Å; K109-R111 PolarHBondContact O-N 2.94Å |
| 110 | G | 71.4 | Confident | 74.5 | Confident | 42 Ų | 42 | 126.1 Ų | 126.1 | 43% | 0.433 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 49.3 | 42.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I107 E108 D112 | I107-G110 WeakPolarHBondContact O-CA 3.23Å; I107-G110 PolarHBondContact O-N 2.97Å; E108-G110 PolarHBondContact O-N 3.12Å; E108-G110 VanDerWaalsContact O-N 3.12Å; G110-D112 PolarHBondContact O-N 2.79Å |
| 111 | R | 66.6 | Low | 72.3 | Confident | 152 Ų | 152 | 131.1 Ų | 131.1 | 57% | 0.574 | 66% | 0.661 | S | S | * | * | trans | -66.3 | 99.6 | 172.5 | -69.3 | -145.1 | -51.6 | -153.7 | 9.4 | 106.3 | K109 Y113 | K109-R111 PolarHBondContact O-N 2.94Å; R111-Y113 WeakPolarHBondContact O-CD2 3.41Å; R111-Y113 WeakPolarHBondContact O-CE2 3.32Å; R111-Y113 PolarHBondContact O-N 3.44Å | ||
| 112 | D | 65.3 | Low | 71.2 | Confident | 123 Ų | 123 | 130.9 Ų | 130.9 | 66% | 0.658 | 67% | 0.669 | S | S | * | * | trans | -55.1 | 97.2 | 166.1 | -65.8 | -41.2 | 0 | 0 | 0 | 106.4 | G110 C114 S115 | G110-D112 PolarHBondContact O-N 2.79Å; D112-C114 PolarHBondContact O-N 3.23Å; D112-S115 PolarHBondContact O-N 3.24Å; D112-S115 VanDerWaalsContact O-N 3.08Å; D112-S115 PolarHBondContact O-OG 2.91Å | ||
| 113 | Y | 59.6 | Low | 69.9 | Low | 162 Ų | 162 | 131.5 Ų | 131.5 | 64% | 0.635 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 6.7 | 170.4 | -65.6 | -83.1 | 0 | 0 | 0 | 111.5 | K106 R111 | K106-Y113 WeakPolarHBondContact CE-OH 3.24Å; R111-Y113 WeakPolarHBondContact O-CD2 3.41Å; R111-Y113 WeakPolarHBondContact O-CE2 3.32Å; R111-Y113 PolarHBondContact O-N 3.44Å |
| 114 | C | 56.1 | Low | 68.5 | Low | 116 Ų | 116 | 134.9 Ų | 134.9 | 78% | 0.784 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 29.4 | 170.6 | -65.8 | 0 | 0 | 0 | 0 | 113 | D112 E116 | D112-C114 PolarHBondContact O-N 3.23Å; C114-E116 VanDerWaalsContact C-N 3.33Å |
| 115 | S | 54.7 | Low | 67.2 | Low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | trans | -99.5 | 53.4 | 163.3 | 45.7 | 0 | 0 | 0 | 0 | 110.6 | D112 E117 | D112-S115 PolarHBondContact O-N 3.24Å; D112-S115 VanDerWaalsContact O-N 3.08Å; D112-S115 PolarHBondContact O-OG 2.91Å; S115-E117 VanDerWaalsContact C-N 3.31Å | ||
| 116 | E | 53.7 | Low | 65.7 | Low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | trans | -94.7 | 55.4 | 161.9 | -63.8 | -165.2 | 147.8 | 0 | 0 | 109.3 | C114 | C114-E116 VanDerWaalsContact C-N 3.33Š| ||
| 117 | E | 56.9 | Low | 64.1 | Low | 162 Ų | 162 | 144.1 Ų | 144.1 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | trans | -168 | 85.4 | 165 | 52.1 | -175 | 121.1 | 0 | 0 | 111.7 | S115 | S115-E117 VanDerWaalsContact C-N 3.31Š| ||
| 118 | E | 53.7 | Low | 62.4 | Low | 178 Ų | 178 | 145.5 Ų | 145.5 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -167.4 | 50 | 140.2 | -110.9 | 173.1 | 173.9 | 0 | 0 | 110.5 | I120 | E118-I120 HydrophobicContact CG-CD1 3.97Å; E118-I120 HydrophobicContact CG-CG1 4.4Å; E118-I120 PolarHBondContact O-N 3Å | ||
| 119 | D | 58.9 | Low | 60.5 | Low | 178 Ų | 178 | 143.4 Ų | 143.4 | 95% | 0.952 | 75% | 0.745 | S | S | * | * | trans | -83.9 | 74.5 | 144.1 | -106 | -32.8 | 0 | 0 | 0 | 106 | ||||
| 120 | I | 55.8 | Low | 58.4 | Low | 119 Ų | 119 | 144.1 Ų | 144.1 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | trans | -135.3 | 81 | 173.1 | -38.5 | 159.9 | 0 | 0 | 0 | 108.1 | E118 | E118-I120 HydrophobicContact CG-CD1 3.97Å; E118-I120 HydrophobicContact CG-CG1 4.4Å; E118-I120 PolarHBondContact O-N 3Å | ||
| 121 | T | 48.3 | Very low | 57.2 | Low | 211 Ų | 211 | 153.4 Ų | 153.4 | 100% | 1.294 | 79% | 0.787 | S | S | * | * | trans | 55.2 | 0 | 150.4 | -43.4 | 0 | 0 | 0 | 0 | 119.4 |
Retrieved 121 of 121 residues in 62.8 ms
(Link to these results)