| 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 | P | 41 | Very low | 37.1 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 100% | 1.117 | 84% | 0.837 | S | S | * | * | 0 | 81.3 | 0 | 27.2 | -5.2 | 0 | 0 | 0 | 109.4 | |||||
| 2 | S | 35.1 | Very low | 37.5 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | 63.9 | 99.1 | 80.4 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 3 | A | 38.4 | Very low | 37 | Very low | 85 Ų | 85 | 154 Ų | 154 | 70% | 0.702 | 84% | 0.835 | S | S | * | * | 65 | 134.6 | 129 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 4 | E | 36.9 | Very low | 38.7 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | 69.8 | 158.7 | 138.2 | -77.4 | -180 | 132.9 | 0 | 0 | 120.1 | ||||
| 5 | M | 40.3 | Very low | 38.2 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | cis | -173.9 | 146.3 | -27.1 | -110.3 | -179.1 | -175.8 | 0 | 0 | 104 | ||||
| 6 | K | 37.4 | Very low | 37.6 | Very low | 205 Ų | 205 | 149 Ų | 149 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | -162.7 | 90 | 157.4 | -143.3 | 160.6 | -179 | 176.1 | 0 | 109.5 | ||||
| 7 | S | 37.1 | Very low | 37 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | 61.5 | 109.3 | 84 | -163.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 8 | Q | 36 | Very low | 36.5 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | trans | -148 | 109.4 | 149.6 | -141.6 | 147.2 | 42.7 | 0 | 0 | 109.9 | ||||
| 9 | Q | 38.7 | Very low | 36 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -74.7 | 151.1 | 172.4 | -74.8 | 170 | -44.7 | 0 | 0 | 111.5 | ||||
| 10 | K | 31.5 | Very low | 35.7 | Very low | 205 Ų | 205 | 142.5 Ų | 142.5 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | -167.2 | 113.1 | 129.2 | -152.8 | 164.1 | -177.4 | -177.2 | 0 | 112.6 | |||||
| 11 | S | 35.9 | Very low | 35.2 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -88.6 | 167.8 | 153.6 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 12 | P | 41.5 | Very low | 34.7 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | -145.3 | 155.3 | 95.1 | 34.2 | -15.7 | 0 | 0 | 0 | 115.9 | |||||
| 13 | E | 30.7 | Very low | 34.5 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -84.4 | -157.5 | 163.9 | -59.9 | 178.6 | 129.1 | 0 | 0 | 110.7 | ||||
| 14 | P | 61.9 | Low | 34.1 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | -127.7 | -177 | -64.8 | 30.5 | -10.8 | 0 | 0 | 0 | 112.5 | |||||
| 15 | E | 30.4 | Very low | 33.9 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | 143.1 | 141.4 | 136.6 | -74.1 | -140.6 | 153.1 | 0 | 0 | 115.4 | ||||
| 16 | G | 28.1 | Very low | 33.4 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 140.7 | 82.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 17 | S | 28.7 | Very low | 33.2 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -68.9 | 152.6 | 164.1 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 18 | V | 28 | Very low | 33 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | 167.6 | 128.8 | 89.1 | 156 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 19 | T | 27.1 | Very low | 33.3 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | 54.9 | 121.6 | 143.7 | 68.5 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 20 | V | 28.5 | Very low | 33.1 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 69.1 | 135.9 | 112.6 | -177.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 21 | N | 26.3 | Very low | 33.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | 80.9 | 144 | 165.3 | -70.1 | -5.4 | 0 | 0 | 0 | 118 | ||||
| 22 | E | 30.3 | Very low | 33.5 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | cis | -173.4 | 157.6 | -9.8 | -169.7 | 171.8 | 177.3 | 0 | 0 | 105.3 | ||||
| 23 | E | 30.5 | Very low | 33.2 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | 84.6 | 129.8 | 152.2 | -120.2 | -177.9 | 162.4 | 0 | 0 | 124.1 | ||||
| 24 | G | 29.4 | Very low | 33.4 | Very low | 67 Ų | 67 | 121.1 Ų | 121.1 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 122.6 | 72.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 25 | S | 33.7 | Very low | 32.3 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | 51.3 | 122.1 | 80.5 | -159.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 26 | V | 29 | Very low | 32.5 | Very low | 132 Ų | 132 | 116.4 Ų | 116.4 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | -167.6 | 138.1 | 71.1 | 174 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 27 | A | 33.3 | Very low | 32.8 | Very low | 95 Ų | 95 | 117 Ų | 117 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | -151.4 | 150.2 | 51.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 28 | T | 33.8 | Very low | 33.5 | Very low | 140 Ų | 140 | 119.4 Ų | 119.4 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | trans | -83.7 | 164 | -168 | 26.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 29 | A | 41 | Very low | 33.8 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | -72.3 | 151 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 30 | E | 36.4 | Very low | 34.3 | Very low | 195 Ų | 195 | 121.6 Ų | 121.6 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -151.7 | 104.7 | 146.7 | -61.8 | -170.7 | 157 | 0 | 0 | 105.4 | ||||
| 31 | D | 32.6 | Very low | 34.6 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | -164.3 | 112 | 85.3 | -169.7 | -3.7 | 0 | 0 | 0 | 111.2 | A33 | D31-A33 VanDerWaalsContact C-N 3.26Å; D31-A33 PolarHBondContact O-N 2.87Å; D31-A33 VanDerWaalsContact OD1-CB 3.25Å; D31-A33 WeakPolarHBondContact OD1-CB 3.36Å; D31-A33 PolarHBondContact OD1-N 2.86Å | |||
| 32 | P | 41.5 | Very low | 35.2 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -2.1 | 174.8 | -13.8 | 29.1 | 0 | 0 | 0 | 114.8 | ||
| 33 | A | 35.2 | Very low | 35.6 | Very low | 62 Ų | 62 | 115.8 Ų | 115.8 | 51% | 0.512 | 74% | 0.744 | S | S | . | * | H | α-helix | trans | -76 | -24.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D31 I35 A36 | D31-A33 VanDerWaalsContact C-N 3.26Å; D31-A33 PolarHBondContact O-N 2.87Å; D31-A33 VanDerWaalsContact OD1-CB 3.25Å; D31-A33 WeakPolarHBondContact OD1-CB 3.36Å; D31-A33 PolarHBondContact OD1-N 2.86Å; A33-I35 VanDerWaalsContact C-N 3.26Å; A33-I35 PolarHBondContact O-N 3.22Å; A33-A36 PolarHBondContact O-N 3.15Å |
| 34 | A | 34.9 | Very low | 35.9 | Very low | 84 Ų | 84 | 116.2 Ų | 116.2 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -71.1 | -20.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 35 | I | 38.6 | Very low | 36.2 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -98.9 | -14.4 | -177.5 | -50.7 | 179.6 | 0 | 0 | 0 | 111.3 | A33 | A33-I35 VanDerWaalsContact C-N 3.26Å; A33-I35 PolarHBondContact O-N 3.22Å |
| 36 | A | 35.8 | Very low | 36.4 | Very low | 61 Ų | 61 | 119.5 Ų | 119.5 | 50% | 0.504 | 74% | 0.741 | S | S | . | * | H | α-helix | trans | -83.3 | -10.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A33 I38 | A33-A36 PolarHBondContact O-N 3.15Å; A36-I38 PolarHBondContact O-N 3.3Å |
| 37 | A | 34.5 | Very low | 37.2 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 12.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 38 | I | 43.1 | Very low | 37.8 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 82% | 0.821 | 75% | 0.746 | S | S | * | * | trans | -105.3 | 65.4 | 164.6 | -47.2 | 174.7 | 0 | 0 | 0 | 107.3 | A36 | A36-I38 PolarHBondContact O-N 3.3Š| ||
| 39 | Q | 35.1 | Very low | 38.4 | Very low | 163 Ų | 163 | 119.6 Ų | 119.6 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | trans | -122.8 | 130.2 | 167.3 | -90.6 | -177.5 | -8.1 | 0 | 0 | 110.6 | ||||
| 40 | S | 35.9 | Very low | 38.7 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | trans | 70.7 | 77.8 | 166.3 | 33.7 | 0 | 0 | 0 | 0 | 117.3 | A42 | S40-A42 PolarHBondContact O-N 3.36Š| ||
| 41 | A | 36.6 | Very low | 39.1 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -77.4 | 104.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | T43 | A41-T43 PolarHBondContact O-N 3.24Å; A41-T43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | A | 38.5 | Very low | 39.8 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | trans | -69 | 102.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | S40 F44 | S40-A42 PolarHBondContact O-N 3.36Å; A42-F44 PolarHBondContact O-N 3.17Å; A42-F44 VanDerWaalsContact O-N 3.07Å | ||
| 43 | T | 37.9 | Very low | 40.3 | Very low | 115 Ų | 115 | 118 Ų | 118 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | -70.2 | 99.2 | 173.8 | -51 | 0 | 0 | 0 | 0 | 108.3 | A41 T45 | A41-T43 PolarHBondContact O-N 3.24Å; A41-T43 VanDerWaalsContact O-N 3.09Å; T43-T45 HydrophobicContact CG2-CG2 4.07Å; T43-T45 PolarHBondContact O-N 2.92Å | ||
| 44 | F | 36.8 | Very low | 41.1 | Very low | 200 Ų | 200 | 119.7 Ų | 119.7 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | trans | -71.6 | 112.4 | 160.5 | -90.3 | -92 | 0 | 0 | 0 | 107.7 | A42 | A42-F44 PolarHBondContact O-N 3.17Å; A42-F44 VanDerWaalsContact O-N 3.07Å | ||
| 45 | T | 35.5 | Very low | 41.9 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 80% | 0.798 | 67% | 0.673 | S | S | * | * | trans | -86.6 | 111.3 | 179.5 | 43.3 | 0 | 0 | 0 | 0 | 110.7 | T43 | T43-T45 HydrophobicContact CG2-CG2 4.07Å; T43-T45 PolarHBondContact O-N 2.92Å | ||
| 46 | D | 38.1 | Very low | 42.6 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | trans | -121 | 131.2 | 153.9 | -166.3 | 10 | 0 | 0 | 0 | 107 | Q48 | D46-Q48 PolarHBondContact O-N 3.11Š| ||
| 47 | P | 45.3 | Very low | 43.1 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 84% | 0.844 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 2.4 | -162 | -21.2 | 33.5 | 0 | 0 | 0 | 117.7 | ||
| 48 | Q | 46.7 | Very low | 43.9 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 85% | 0.846 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -6.8 | -174.4 | -86.5 | 179.2 | -23.6 | 0 | 0 | 116.3 | D46 | D46-Q48 PolarHBondContact O-N 3.11Š|
| 49 | I | 46.3 | Very low | 44.1 | Very low | 58 Ų | 58 | 118.8 Ų | 118.8 | 30% | 0.297 | 66% | 0.661 | S | S | . | * | trans | -141.7 | 119.7 | -179.6 | -47.4 | 176.2 | 0 | 0 | 0 | 110.8 | Y51 Q69 | I49-Y51 HydrophobicContact CB-CE2 3.89Å; I49-Y51 HydrophobicContact CG2-CD1 4.41Å; I49-Y51 HydrophobicContact CG2-CD2 4.11Å; I49-Y51 HydrophobicContact CG2-CE1 3.86Å; I49-Y51 HydrophobicContact CG2-CE2 3.51Å; I49-Q69 HydrophobicContact CG2-CG 4.07Å | ||
| 50 | K | 47.9 | Very low | 44.9 | Very low | 155 Ų | 155 | 114.9 Ų | 114.9 | 67% | 0.674 | 66% | 0.664 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97 | 116.4 | 173.1 | -74.2 | 176.6 | -175.6 | 165.3 | 0 | 109.6 | V70 | K50-V70 PolarHBondContact O-N 2.9Å |
| 51 | Y | 44.3 | Very low | 45.9 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 49% | 0.494 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.9 | 171.7 | -61.2 | -80.5 | 0 | 0 | 0 | 109.8 | I49 V67 Q69 | I49-Y51 HydrophobicContact CB-CE2 3.89Å; I49-Y51 HydrophobicContact CG2-CD1 4.41Å; I49-Y51 HydrophobicContact CG2-CD2 4.11Å; I49-Y51 HydrophobicContact CG2-CE1 3.86Å; I49-Y51 HydrophobicContact CG2-CE2 3.51Å; Y51-V67 HydrophobicContact CD1-CG1 3.78Å; Y51-V67 HydrophobicContact CG-CG1 4.35Å; Y51-Q69 HydrophobicContact CD1-CB 4.4Å; Y51-Q69 HydrophobicContact CE1-CB 4.11Å; Y51-Q69 HydrophobicContact CE1-CG 4.13Å |
| 52 | Q | 47.8 | Very low | 46.2 | Very low | 113 Ų | 113 | 114.2 Ų | 114.2 | 53% | 0.528 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.7 | 169.5 | -68.7 | -174.1 | 15.2 | 0 | 0 | 109.2 | F54 I68 | Q52-F54 HydrophobicContact CB-CE2 3.76Å; Q52-F54 HydrophobicContact CB-CZ 4.2Å; Q52-I68 PolarHBondContact N-O 3.46Å; Q52-I68 PolarHBondContact O-N 3.19Å |
| 53 | V | 50.5 | Low | 46.8 | Very low | 88 Ų | 88 | 112.7 Ų | 112.7 | 53% | 0.533 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.3 | 179 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | Y65 R66 V67 | V53-Y65 HydrophobicContact CG1-CD1 3.75Å; V53-Y65 HydrophobicContact CG1-CG 4.47Å; V53-R66 WeakPolarHBondContact CA-O 3.41Å; V53-V67 HydrophobicContact CG2-CG2 4.34Å |
| 54 | F | 53.1 | Low | 47.5 | Very low | 96 Ų | 96 | 110.6 Ų | 110.6 | 42% | 0.421 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 119.5 | 177 | -66.5 | -89.2 | 0 | 0 | 0 | 109.7 | Q52 R66 I68 | Q52-F54 HydrophobicContact CB-CE2 3.76Å; Q52-F54 HydrophobicContact CB-CZ 4.2Å; F54-R66 PolarHBondContact N-O 3.46Å; F54-R66 PolarHBondContact O-N 3.23Å; F54-I68 HydrophobicContact CD2-CD1 4.04Å; F54-I68 HydrophobicContact CE2-CD1 3.83Å |
| 55 | K | 50.8 | Low | 48.1 | Very low | 136 Ų | 136 | 108 Ų | 108 | 59% | 0.591 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 114.5 | 171.4 | -170.6 | -175.5 | 176.5 | -175.2 | 0 | 108.4 | V63 Y65 | K55-V63 HydrophobicContact CD-CG1 4.13Å; K55-V63 HydrophobicContact CG-CG1 3.57Å; K55-Y65 HydrophobicContact CB-CE1 4.41Å; K55-Y65 HydrophobicContact CD-CE1 4.5Å; K55-Y65 HydrophobicContact CG-CE1 4.19Å |
| 56 | T | 54.7 | Low | 48.9 | Very low | 77 Ų | 77 | 110 Ų | 110 | 47% | 0.472 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.8 | 170.5 | 58.8 | 0 | 0 | 0 | 0 | 108.9 | T64 | T56-T64 PolarHBondContact N-O 3.42Å; T56-T64 PolarHBondContact O-N 2.86Å |
| 57 | E | 46.3 | Very low | 49.8 | Very low | 153 Ų | 153 | 108.9 Ų | 108.9 | 72% | 0.715 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 115.5 | 175.8 | -166.7 | 176.4 | 168.5 | 0 | 0 | 109.1 | ||
| 58 | G | 50.3 | Low | 50.4 | Low | 37 Ų | 37 | 106.9 Ų | 106.9 | 38% | 0.381 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 145 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G60 G61 Q62 | G58-G60 PolarHBondContact O-N 2.97Å; G58-G61 PolarHBondContact O-N 2.88Å; G58-Q62 PolarHBondContact N-O 3.27Å; G58-Q62 VanDerWaalsContact N-O 3.13Å |
| 59 | A | 48.1 | Very low | 50.4 | Low | 120 Ų | 120 | 104 Ų | 104 | 99% | 0.992 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 112.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 60 | G | 51.9 | Low | 50.6 | Low | 80 Ų | 80 | 104.6 Ų | 104.6 | 83% | 0.825 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.8 | 7.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G58 Q62 | G58-G60 PolarHBondContact O-N 2.97Å; G60-Q62 VanDerWaalsContact C-N 3.27Å; G60-Q62 PolarHBondContact O-N 3.38Å |
| 61 | G | 56.4 | Low | 50.6 | Low | 61 Ų | 61 | 101 Ų | 101 | 63% | 0.629 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.4 | 10 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G58 | G58-G61 PolarHBondContact O-N 2.88Š|
| 62 | Q | 42.4 | Very low | 50.7 | Low | 138 Ų | 138 | 102.7 Ų | 102.7 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90 | 115.7 | 176.6 | -157.9 | 175.7 | 20.3 | 0 | 0 | 110 | G58 G60 | G58-Q62 PolarHBondContact N-O 3.27Å; G58-Q62 VanDerWaalsContact N-O 3.13Å; G60-Q62 VanDerWaalsContact C-N 3.27Å; G60-Q62 PolarHBondContact O-N 3.38Å |
| 63 | V | 51 | Low | 50.7 | Low | 53 Ų | 53 | 100.7 Ų | 100.7 | 32% | 0.321 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.4 | 176 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | K55 Y65 | K55-V63 HydrophobicContact CD-CG1 4.13Å; K55-V63 HydrophobicContact CG-CG1 3.57Å; V63-Y65 HydrophobicContact CB-CE2 4.42Å; V63-Y65 HydrophobicContact CG1-CD2 4.24Å; V63-Y65 HydrophobicContact CG1-CE1 4.21Å; V63-Y65 HydrophobicContact CG1-CE2 3.65Å |
| 64 | T | 52.7 | Low | 49.9 | Very low | 71 Ų | 71 | 105.4 Ų | 105.4 | 44% | 0.436 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.7 | 173.5 | -49.2 | 0 | 0 | 0 | 0 | 109.3 | T56 | T56-T64 PolarHBondContact N-O 3.42Å; T56-T64 PolarHBondContact O-N 2.86Å |
| 65 | Y | 50.4 | Low | 49.5 | Very low | 145 Ų | 145 | 109.4 Ų | 109.4 | 57% | 0.569 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.5 | 174.9 | -63.1 | -86.1 | 0 | 0 | 0 | 109.6 | V53 K55 V63 | V53-Y65 HydrophobicContact CG1-CD1 3.75Å; V53-Y65 HydrophobicContact CG1-CG 4.47Å; K55-Y65 HydrophobicContact CB-CE1 4.41Å; K55-Y65 HydrophobicContact CD-CE1 4.5Å; K55-Y65 HydrophobicContact CG-CE1 4.19Å; V63-Y65 HydrophobicContact CB-CE2 4.42Å; V63-Y65 HydrophobicContact CG1-CD2 4.24Å; V63-Y65 HydrophobicContact CG1-CE1 4.21Å; V63-Y65 HydrophobicContact CG1-CE2 3.65Å |
| 66 | R | 51.5 | Low | 48.8 | Very low | 172 Ų | 172 | 112.1 Ų | 112.1 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.1 | 170.5 | -66.9 | -176.9 | -179.3 | -174.7 | 0.5 | 109.2 | V53 F54 | V53-R66 WeakPolarHBondContact CA-O 3.41Å; F54-R66 PolarHBondContact N-O 3.46Å; F54-R66 PolarHBondContact O-N 3.23Å |
| 67 | V | 57.5 | Low | 47.9 | Very low | 96 Ų | 96 | 113.1 Ų | 113.1 | 58% | 0.582 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.7 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | Y51 V53 | Y51-V67 HydrophobicContact CD1-CG1 3.78Å; Y51-V67 HydrophobicContact CG-CG1 4.35Å; V53-V67 HydrophobicContact CG2-CG2 4.34Å |
| 68 | I | 56.9 | Low | 47.1 | Very low | 88 Ų | 88 | 115.1 Ų | 115.1 | 45% | 0.451 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.4 | 174.4 | -59.7 | 174 | 0 | 0 | 0 | 108.1 | Q52 F54 V70 | Q52-I68 PolarHBondContact N-O 3.46Å; Q52-I68 PolarHBondContact O-N 3.19Å; F54-I68 HydrophobicContact CD2-CD1 4.04Å; F54-I68 HydrophobicContact CE2-CD1 3.83Å; I68-V70 HydrophobicContact CG2-CG2 4.13Å |
| 69 | Q | 46.6 | Very low | 46.6 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 57% | 0.565 | 69% | 0.689 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.3 | 172 | -177.9 | 178.1 | -7.4 | 0 | 0 | 108.8 | I49 Y51 | I49-Q69 HydrophobicContact CG2-CG 4.07Å; Y51-Q69 HydrophobicContact CD1-CB 4.4Å; Y51-Q69 HydrophobicContact CE1-CB 4.11Å; Y51-Q69 HydrophobicContact CE1-CG 4.13Å |
| 70 | V | 52.3 | Low | 45.9 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 43% | 0.43 | 69% | 0.685 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 116.2 | 173.6 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | K50 I68 | K50-V70 PolarHBondContact O-N 2.9Å; I68-V70 HydrophobicContact CG2-CG2 4.13Å |
| 71 | S | 48.1 | Very low | 45.3 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 55% | 0.552 | 69% | 0.685 | S | S | * | * | trans | -102.6 | 125.4 | 174.5 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | G73 | S71-G73 PolarHBondContact O-N 2.97Å; S71-G73 VanDerWaalsContact O-N 3.16Å | ||
| 72 | D | 44.5 | Very low | 44 | Very low | 161 Ų | 161 | 123.9 Ų | 123.9 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -76.2 | 92.9 | 169.6 | -97.9 | -32.5 | 0 | 0 | 0 | 108.5 | ||
| 73 | G | 48 | Very low | 43.4 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | 150.3 | 72.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115 | S71 | S71-G73 PolarHBondContact O-N 2.97Å; S71-G73 VanDerWaalsContact O-N 3.16Å | ||
| 74 | Q | 35.5 | Very low | 42.4 | Very low | 187 Ų | 187 | 125.6 Ų | 125.6 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -156.8 | 67.5 | 154.3 | -147.3 | 176 | 15.6 | 0 | 0 | 111.7 | ||||
| 75 | L | 42.8 | Very low | 41.2 | Very low | 181 Ų | 181 | 127 Ų | 127 | 95% | 0.948 | 74% | 0.738 | S | S | * | * | trans | -141.2 | 63.1 | 160.9 | -79.3 | 174.6 | 0 | 0 | 0 | 109.1 | ||||
| 76 | E | 36.4 | Very low | 40.2 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -120.9 | 125.4 | 154.6 | -85.3 | -147.9 | 118.8 | 0 | 0 | 109.6 | ||
| 77 | A | 36.5 | Very low | 39.3 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 56.2 | 92.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 78 | Q | 28.9 | Very low | 38 | Very low | 194 Ų | 194 | 125.5 Ų | 125.5 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -153.5 | 116.5 | 133.6 | -152.3 | 163.1 | -3.1 | 0 | 0 | 111.6 | ||||
| 79 | T | 40.5 | Very low | 36.7 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -71.5 | 153.3 | 166.9 | 45.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 80 | D | 32.4 | Very low | 35.8 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 85.7 | 131.7 | 177.3 | -83.3 | -18.2 | 0 | 0 | 0 | 118.6 | ||
| 81 | G | 39.8 | Very low | 35.1 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 145.5 | -157.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 82 | A | 29.2 | Very low | 34.7 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -163.7 | 157.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 83 | A | 29.2 | Very low | 33.9 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -62.1 | 145.4 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S85 | A83-S85 PolarHBondContact O-N 3.35Å; A83-S85 VanDerWaalsContact O-N 3.09Å | ||
| 84 | V | 30 | Very low | 33.8 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | trans | -63.7 | 103.7 | 157.8 | 175.1 | 0 | 0 | 0 | 0 | 107.8 | L86 | V84-L86 PolarHBondContact O-N 2.81Å; V84-L86 VanDerWaalsContact O-N 3.16Å | ||
| 85 | S | 28.1 | Very low | 33.5 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -77.8 | 95.9 | 175.9 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | A83 V87 | A83-S85 PolarHBondContact O-N 3.35Å; A83-S85 VanDerWaalsContact O-N 3.09Å; S85-V87 PolarHBondContact O-N 3.3Å | ||
| 86 | L | 29.5 | Very low | 33.1 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | trans | -71.8 | 103.7 | 160.6 | -69.3 | 161.3 | 0 | 0 | 0 | 107.2 | V84 A88 | V84-L86 PolarHBondContact O-N 2.81Å; V84-L86 VanDerWaalsContact O-N 3.16Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 2.89Å | ||
| 87 | V | 33.1 | Very low | 32.6 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -71.3 | 93.5 | 168.6 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | S85 | S85-V87 PolarHBondContact O-N 3.3Š| ||
| 88 | A | 30.1 | Very low | 32.2 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -122.8 | 121.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L86 | L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 2.89Å | ||
| 89 | G | 29.2 | Very low | 32.1 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | trans | 87.6 | 137.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 90 | F | 28.3 | Very low | 31.5 | Very low | 206 Ų | 206 | 126.9 Ų | 126.9 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | cis | -176.3 | -166.2 | 37.9 | -98.8 | -90.1 | 0 | 0 | 0 | 106.6 | ||||
| 91 | P | 37.2 | Very low | 31.3 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | cis | -119.4 | -174.1 | -42.5 | 29.4 | -9.2 | 0 | 0 | 0 | 111 | ||||
| 92 | A | 40.6 | Very low | 31 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -71.7 | 125.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 93 | T | 27.3 | Very low | 31 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -150.5 | 125.1 | 153.7 | 13 | 0 | 0 | 0 | 0 | 109.3 | Q95 | T93-Q95 PolarHBondContact O-N 3.44Š| ||
| 94 | T | 45.8 | Very low | 31.1 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -60.5 | 113.3 | 172.4 | 41.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 95 | Q | 28.7 | Very low | 31.4 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -152.2 | 139.9 | 152.3 | -107.1 | -178.2 | 25.1 | 0 | 0 | 110 | T93 V97 | T93-Q95 PolarHBondContact O-N 3.44Å; Q95-V97 PolarHBondContact O-N 3.14Å | ||
| 96 | T | 33.9 | Very low | 31.4 | Very low | 143 Ų | 143 | 135 Ų | 135 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -63.8 | 115.1 | -166.3 | 45.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 97 | V | 27.1 | Very low | 31.5 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -95.1 | 117.9 | 164.3 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | Q95 Q99 | Q95-V97 PolarHBondContact O-N 3.14Å; V97-Q99 PolarHBondContact O-N 2.83Å; V97-Q99 VanDerWaalsContact O-N 3.07Å | ||
| 98 | T | 28.4 | Very low | 31.5 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -61.5 | 107.2 | 175.8 | -19.4 | 0 | 0 | 0 | 0 | 108.9 | A100 | T98-A100 PolarHBondContact O-N 3.34Š| ||
| 99 | Q | 25 | Very low | 31.8 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | -75.5 | 109.7 | 177.1 | -171.6 | -178.9 | 59.7 | 0 | 0 | 108.7 | V97 V101 | V97-Q99 PolarHBondContact O-N 2.83Å; V97-Q99 VanDerWaalsContact O-N 3.07Å; Q99-V101 VanDerWaalsContact C-N 3.34Å; Q99-V101 HydrophobicContact CB-CG2 4.49Å; Q99-V101 HydrophobicContact CG-CG2 3.75Å; Q99-V101 PolarHBondContact O-N 2.94Å; Q99-V101 VanDerWaalsContact O-N 3.07Å; Q99-V101 VanDerWaalsContact OE1-CG2 3.31Å | ||
| 100 | A | 29.5 | Very low | 32 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -75.4 | 92.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | T98 I102 | T98-A100 PolarHBondContact O-N 3.34Å; A100-I102 PolarHBondContact O-N 3.44Å | ||
| 101 | V | 27.3 | Very low | 32.1 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 57% | 0.57 | 81% | 0.814 | S | S | * | * | trans | -75.9 | 106.4 | 170 | 174.8 | 0 | 0 | 0 | 0 | 107.5 | Q99 S103 | Q99-V101 VanDerWaalsContact C-N 3.34Å; Q99-V101 HydrophobicContact CB-CG2 4.49Å; Q99-V101 HydrophobicContact CG-CG2 3.75Å; Q99-V101 PolarHBondContact O-N 2.94Å; Q99-V101 VanDerWaalsContact O-N 3.07Å; Q99-V101 VanDerWaalsContact OE1-CG2 3.31Å; V101-S103 WeakPolarHBondContact CG1-OG 3.48Å; V101-S103 PolarHBondContact O-N 3.47Å | ||
| 102 | I | 32.7 | Very low | 31.8 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -89.4 | 100.1 | 166.9 | -65.3 | 168.1 | 0 | 0 | 0 | 106.6 | A100 | A100-I102 PolarHBondContact O-N 3.44Š| ||
| 103 | S | 29.7 | Very low | 31.6 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 116.6 | 167.3 | -56.3 | 0 | 0 | 0 | 0 | 108.2 | V101 | V101-S103 WeakPolarHBondContact CG1-OG 3.48Å; V101-S103 PolarHBondContact O-N 3.47Å |
| 104 | Q | 32.3 | Very low | 31.9 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 129.8 | 160.6 | -82.6 | -158.8 | -34.5 | 0 | 0 | 109.3 | ||
| 105 | P | 35.1 | Very low | 31.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 142.6 | 157.2 | 33.2 | -24.2 | 0 | 0 | 0 | 111.5 | ||
| 106 | E | 29.5 | Very low | 31.8 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 135.2 | 170.3 | -83 | 169.9 | 117.5 | 0 | 0 | 112.9 | ||
| 107 | G | 31.8 | Very low | 31.7 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 57.3 | 112.9 | 135.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 108 | L | 32.3 | Very low | 32 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 95% | 0.948 | 82% | 0.819 | S | S | * | * | trans | -165.9 | 142.4 | 132.9 | -103.6 | 152.1 | 0 | 0 | 0 | 110.6 | ||||
| 109 | E | 36.8 | Very low | 32 | Very low | 200 Ų | 200 | 138.3 Ų | 138.3 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -60.8 | 145.4 | -175.2 | -61.2 | -170.6 | 121.7 | 0 | 0 | 113.9 | ||||
| 110 | G | 31.8 | Very low | 32 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 177 | 114.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 111 | D | 31.6 | Very low | 32.1 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | trans | -55.6 | 153.1 | 177.9 | -173.9 | 25.8 | 0 | 0 | 0 | 114.9 | ||||
| 112 | G | 30.7 | Very low | 32.4 | Very low | 63 Ų | 63 | 145.9 Ų | 145.9 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | trans | 116.2 | 91.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 113 | S | 36.8 | Very low | 32.2 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | 23.4 | 114.8 | 138.6 | -177.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 114 | A | 34.1 | Very low | 32.5 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -165.9 | 118.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 115 | E | 40.8 | Very low | 32.5 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | trans | -68 | 134.3 | 165.6 | -66.8 | 178.9 | 116 | 0 | 0 | 111.1 | ||||
| 116 | A | 31.6 | Very low | 32.5 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -151.6 | 85.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 117 | Q | 30.5 | Very low | 32.5 | Very low | 196 Ų | 196 | 142.1 Ų | 142.1 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | 42.7 | 115.7 | 129.9 | -68 | 174.3 | -15.8 | 0 | 0 | 120.6 | |||||
| 118 | Y | 33.6 | Very low | 32.5 | Very low | 233 Ų | 233 | 143.6 Ų | 143.6 | 91% | 0.914 | 83% | 0.829 | S | S | * | * | trans | -53.1 | 142 | 158.4 | -91.8 | -105 | 0 | 0 | 0 | 113.5 | ||||
| 119 | A | 29.4 | Very low | 32.5 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -143.4 | 104.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 120 | Y | 25 | Very low | 32.3 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -101.6 | 122.6 | 168.6 | -175.5 | -96.5 | 0 | 0 | 0 | 107.6 | P122 | Y120-P122 HydrophobicContact CD1-CB 4.49Å; Y120-P122 HydrophobicContact CD1-CG 4.19Å; Y120-P122 HydrophobicContact CE1-CB 3.89Å; Y120-P122 HydrophobicContact CE1-CG 3.97Å | ||
| 121 | Y | 31.1 | Very low | 32.3 | Very low | 220 Ų | 220 | 136.3 Ų | 136.3 | 86% | 0.863 | 82% | 0.815 | S | S | * | * | trans | -113.8 | 113.5 | 170.1 | -83 | -80.6 | 0 | 0 | 0 | 109.3 | ||||
| 122 | P | 33.4 | Very low | 32.2 | Very low | 83 Ų | 83 | 135 Ų | 135 | 54% | 0.539 | 81% | 0.814 | S | S | . | * | trans | -92.1 | 125.7 | 168.2 | 31.3 | -23.1 | 0 | 0 | 0 | 110.1 | Y120 | Y120-P122 HydrophobicContact CD1-CB 4.49Å; Y120-P122 HydrophobicContact CD1-CG 4.19Å; Y120-P122 HydrophobicContact CE1-CB 3.89Å; Y120-P122 HydrophobicContact CE1-CG 3.97Å | ||
| 123 | A | 29.2 | Very low | 32.3 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -88.4 | 102.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 124 | T | 34.9 | Very low | 31.9 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -77.6 | 127.7 | 168.7 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 125 | I | 33.3 | Very low | 31.9 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -105 | 117.9 | 159.5 | -71.6 | 176.6 | 0 | 0 | 0 | 107.5 | ||||
| 126 | A | 33.7 | Very low | 31.5 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -79.4 | 153.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 127 | E | 29.3 | Very low | 31.7 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -58.5 | 135.7 | 171.4 | -172.5 | 173.7 | -171 | 0 | 0 | 113.1 | ||||
| 128 | A | 32.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -148.2 | 120.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 129 | T | 32.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -87.7 | 149.6 | 178 | -10.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 130 | A | 32.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | 68 | 104.1 | 153 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 131 | G | 31.5 | Very low | 31.8 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | 70.9 | 106.8 | 124.8 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 132 | T | 30.2 | Very low | 31.9 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | 178.7 | 140.6 | 126.1 | -69.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 133 | M | 32.1 | Very low | 32 | Very low | 172 Ų | 172 | 132 Ų | 132 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | trans | -63.1 | 151 | -174.1 | -52.7 | -134.9 | -65.8 | 0 | 0 | 114.2 | ||||
| 134 | V | 28.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | -173.5 | 127.1 | 124.9 | 164.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 135 | T | 33.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | trans | -21.3 | 136.7 | 157.9 | -58.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 136 | T | 32 | Very low | 31.8 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | -162 | 109.8 | 122.4 | 33.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 137 | V | 35.7 | Very low | 31.7 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -89.6 | 120.1 | 166.3 | 173.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 138 | Q | 29.8 | Very low | 32.1 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -125.4 | 105.2 | 163 | -84.1 | -176.8 | -27.4 | 0 | 0 | 106.4 | ||||
| 139 | A | 29.2 | Very low | 32.4 | Very low | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | 97.6 | 137.3 | 91.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 140 | T | 31.9 | Very low | 32.5 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | cis | -154.4 | 129.7 | 32.1 | 41.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 141 | D | 31.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -80.5 | 131.1 | 156.9 | -137.8 | -32.4 | 0 | 0 | 0 | 107.3 | ||||
| 142 | T | 32.6 | Very low | 33.1 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | trans | -137.4 | 97.2 | 173.8 | -44.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 143 | L | 35.4 | Very low | 33.5 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | -114.4 | 114.9 | 169.4 | -156.4 | 151.2 | 0 | 0 | 0 | 107.6 | ||||
| 144 | L | 33.1 | Very low | 33.9 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -156.5 | 122.7 | 166.4 | -132.4 | 82.2 | 0 | 0 | 0 | 105.2 | ||||
| 145 | G | 29.4 | Very low | 34.8 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | cis | 168.5 | 129.2 | 0.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 146 | Q | 31.1 | Very low | 34.8 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -138 | 119.3 | 159.7 | -87.3 | -169.1 | 6.6 | 0 | 0 | 109.8 | ||||
| 147 | T | 32.2 | Very low | 35.3 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -39.7 | 128.9 | -179.6 | 54.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 148 | T | 37.3 | Very low | 35.7 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -79.7 | 153.7 | 151.3 | -19.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 149 | P | 39 | Very low | 36.4 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -138.7 | 152.1 | 111.9 | 34.6 | -20.9 | 0 | 0 | 0 | 114.2 | |||||
| 150 | A | 34.6 | Very low | 37 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 76.8 | 94.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 151 | G | 37.7 | Very low | 37.5 | Very low | 69 Ų | 69 | 143.2 Ų | 143.2 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 106 | 123.2 | 112.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 152 | Q | 39 | Very low | 37.8 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 92.2 | 90.1 | 158.2 | -43.5 | -58.9 | 3.7 | 0 | 0 | 117.6 | Y154 | Q152-Y154 PolarHBondContact O-N 3.41Š| ||
| 153 | L | 36.9 | Very low | 38.1 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -53.4 | 119.9 | 148.1 | -89.2 | 147.6 | 0 | 0 | 0 | 110.4 | ||||
| 154 | Y | 40.5 | Very low | 38.1 | Very low | 208 Ų | 208 | 142.3 Ų | 142.3 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -135.7 | 108.6 | 151.6 | -101.8 | -89.8 | 0 | 0 | 0 | 109.3 | Q152 | Q152-Y154 PolarHBondContact O-N 3.41Š| ||
| 155 | V | 48.6 | Very low | 38.2 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -77.3 | 130.5 | 153.1 | 175.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 156 | M | 33.1 | Very low | 38.7 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | 167.2 | 121 | 131.7 | -90.7 | -175.9 | -63.8 | 0 | 0 | 112.6 | ||||
| 157 | M | 42.7 | Very low | 38.9 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | 84.2 | 145.1 | 143.2 | -58.9 | -160.7 | -51.5 | 0 | 0 | 122.2 | ||||
| 158 | S | 43.7 | Very low | 39.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -67.3 | 138.8 | 177.5 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | Q160 | S158-Q160 PolarHBondContact O-N 3Š| ||
| 159 | P | 46.2 | Very low | 39.8 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -79 | 105.7 | 161.8 | -9.2 | 27.1 | 0 | 0 | 0 | 109.5 | ||||
| 160 | Q | 40.7 | Very low | 39.8 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -88.3 | 126.1 | 156.7 | -90 | -179.8 | 0.4 | 0 | 0 | 108.6 | S158 V162 | S158-Q160 PolarHBondContact O-N 3Å; Q160-V162 PolarHBondContact O-N 3.42Å | ||
| 161 | E | 42.3 | Very low | 40.2 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -68.6 | 111.1 | 172.9 | -63.7 | 176.2 | 131.9 | 0 | 0 | 110.4 | ||||
| 162 | V | 36.8 | Very low | 40.3 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -138.9 | 131.1 | 157.2 | 179.9 | 0 | 0 | 0 | 0 | 109 | Q160 | Q160-V162 PolarHBondContact O-N 3.42Š| ||
| 163 | L | 40 | Very low | 40.6 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -68 | 164.5 | -167.6 | -69.6 | 76.6 | 0 | 0 | 0 | 115.5 | ||||
| 164 | T | 35.6 | Very low | 41.1 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | trans | 95.5 | 130.8 | 149.5 | 72.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 165 | G | 34.8 | Very low | 41.2 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 123.7 | 88.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 166 | S | 39.1 | Very low | 41.1 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | 24.1 | 123.6 | 138.7 | 56.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 167 | S | 37.1 | Very low | 41.6 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 163.5 | 155.4 | 116.4 | -73.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 168 | Q | 45 | Very low | 41.8 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -89.8 | 156.9 | -160.4 | -55.7 | 172.3 | -9.9 | 0 | 0 | 116 | ||||
| 169 | R | 42.7 | Very low | 41.9 | Very low | 224 Ų | 224 | 146.5 Ų | 146.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | 156.4 | 111.3 | 122.1 | -84.6 | -178.2 | -173.2 | 178.6 | 4 | 112.3 | |||||
| 170 | T | 38.8 | Very low | 42.1 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | 75.7 | 128.2 | 100.1 | -30 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 171 | I | 42.3 | Very low | 41.9 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | -166.3 | 118.4 | 57.1 | -65.6 | 157.4 | 0 | 0 | 0 | 112.4 | |||||
| 172 | A | 41 | Very low | 42 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 46.4 | 160.9 | 139 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 173 | P | 43.8 | Very low | 42.2 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -127.4 | 142.6 | -1 | 35.9 | -17 | 0 | 0 | 0 | 116.9 | ||||
| 174 | R | 49.1 | Very low | 42.7 | Very low | 238 Ų | 238 | 140.3 Ų | 140.3 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | -9.2 | 120.9 | 144.9 | -172.8 | 178.9 | -176.1 | 132.7 | -2 | 117.1 | ||||
| 175 | T | 41.5 | Very low | 43.7 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | 175.4 | 87.9 | 120.5 | 34.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 176 | Q | 46.8 | Very low | 44.6 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | -130.7 | 114.4 | 146.8 | -76.1 | -60.6 | -24.2 | 0 | 0 | 107.1 | Y178 | Q176-Y178 PolarHBondContact O-N 3.39Š| ||
| 177 | P | 44 | Very low | 45.7 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | -65.6 | 128 | 176.7 | 27.8 | -29.8 | 0 | 0 | 0 | 107.7 | V179 | P177-V179 PolarHBondContact O-N 2.86Š| ||
| 178 | Y | 47.6 | Very low | 47.2 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 79% | 0.792 | 72% | 0.723 | S | S | * | * | trans | -19.6 | 100.5 | 149.7 | -177.7 | -97.9 | 0 | 0 | 0 | 112.3 | Q176 A180 | Q176-Y178 PolarHBondContact O-N 3.39Å; Y178-A180 HydrophobicContact CD1-CB 4.39Å; Y178-A180 HydrophobicContact CD2-CB 4.16Å; Y178-A180 HydrophobicContact CE1-CB 3.82Å; Y178-A180 HydrophobicContact CE2-CB 3.55Å | ||
| 179 | V | 44.6 | Very low | 48.8 | Very low | 119 Ų | 119 | 138 Ų | 138 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -114.9 | 68.4 | 153.6 | -82.4 | 0 | 0 | 0 | 0 | 106.9 | P177 K181 | P177-V179 PolarHBondContact O-N 2.86Å; V179-K181 PolarHBondContact O-N 2.84Å | ||
| 180 | A | 49.8 | Very low | 50.7 | Low | 66 Ų | 66 | 130.8 Ų | 130.8 | 55% | 0.545 | 69% | 0.691 | S | S | . | * | trans | -64.7 | 79.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y178 | Y178-A180 HydrophobicContact CD1-CB 4.39Å; Y178-A180 HydrophobicContact CD2-CB 4.16Å; Y178-A180 HydrophobicContact CE1-CB 3.82Å; Y178-A180 HydrophobicContact CE2-CB 3.55Å | ||
| 181 | K | 37.3 | Very low | 53.1 | Low | 166 Ų | 166 | 129.3 Ų | 129.3 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | -126.7 | 102.5 | 164.8 | -82.8 | -171.1 | 176.9 | 179.7 | 0 | 107.5 | V179 | V179-K181 PolarHBondContact O-N 2.84Š| ||
| 182 | Q | 44.1 | Very low | 55.3 | Low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | 67.2 | 90.7 | 150.6 | -68.2 | 165 | -41.7 | 0 | 0 | 114.6 | A184 | Q182-A184 PolarHBondContact O-N 3.18Š| ||
| 183 | E | 41.7 | Very low | 57.7 | Low | 193 Ų | 193 | 132.2 Ų | 132.2 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | -49 | 100.8 | 126.3 | -81.6 | -165.7 | 142.9 | 0 | 0 | 106.8 | |||||
| 184 | A | 50.8 | Low | 59.9 | Low | 51 Ų | 51 | 132.6 Ų | 132.6 | 42% | 0.421 | 65% | 0.647 | S | S | . | * | trans | -52.5 | 154 | 164 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q182 R186 | Q182-A184 PolarHBondContact O-N 3.18Å; A184-R186 HydrophobicContact CB-CG 4.19Å; A184-R186 PolarHBondContact O-N 2.93Å | ||
| 185 | P | 56.1 | Low | 62 | Low | 119 Ų | 119 | 123.6 Ų | 123.6 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 12.4 | -178.2 | -23.9 | 33.3 | 0 | 0 | 0 | 116.6 | G187 S188 | P185-G187 PolarHBondContact O-N 2.95Å; P185-S188 WeakPolarHBondContact O-CB 3.34Å; P185-S188 PolarHBondContact O-N 2.94Å |
| 186 | R | 54.7 | Low | 64.5 | Low | 179 Ų | 179 | 124.4 Ų | 124.4 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59 | -29 | 178.1 | -61.6 | -145.7 | -179.2 | 176.8 | 4 | 112.9 | A184 S188 R189 D190 | A184-R186 HydrophobicContact CB-CG 4.19Å; A184-R186 PolarHBondContact O-N 2.93Å; R186-S188 PolarHBondContact O-N 2.9Å; R186-R189 PolarHBondContact O-N 3.41Å; R186-R189 VanDerWaalsContact O-N 3.11Å; R186-D190 WeakPolarHBondContact O-CB 3.4Å; R186-D190 VanDerWaalsContact O-CG 3.29Å; R186-D190 PolarHBondContact O-N 3.35Å |
| 187 | G | 60.4 | Low | 66.8 | Low | 42 Ų | 42 | 121.8 Ų | 121.8 | 43% | 0.433 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -50.9 | -39.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P185 E191 | P185-G187 PolarHBondContact O-N 2.95Å; G187-E191 WeakPolarHBondContact O-CA 3.47Å; G187-E191 WeakPolarHBondContact O-CB 3.46Å; G187-E191 PolarHBondContact O-N 3.28Å |
| 188 | S | 68.6 | Low | 69.3 | Low | 71 Ų | 71 | 121.8 Ų | 121.8 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.6 | -38.4 | 179.2 | -177.8 | 0 | 0 | 0 | 0 | 113.5 | P185 R186 K192 | P185-S188 WeakPolarHBondContact O-CB 3.34Å; P185-S188 PolarHBondContact O-N 2.94Å; R186-S188 PolarHBondContact O-N 2.9Å; S188-K192 VanDerWaalsContact O-CG 3.3Å; S188-K192 WeakPolarHBondContact O-CG 3.36Å; S188-K192 PolarHBondContact O-N 3.03Å |
| 189 | R | 78.9 | Confident | 71.6 | Confident | 166 Ų | 166 | 115 Ų | 115 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70 | -41.5 | 176.2 | -176 | -175.6 | -178.5 | -166.6 | 0.4 | 110.9 | R186 K192 R193 | R186-R189 PolarHBondContact O-N 3.41Å; R186-R189 VanDerWaalsContact O-N 3.11Å; R189-K192 PolarHBondContact O-N 3.48Å; R189-R193 PolarHBondContact O-N 3.32Å |
| 190 | D | 82.2 | Confident | 74.2 | Confident | 73 Ų | 73 | 113.4 Ų | 113.4 | 39% | 0.39 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.1 | -32.2 | 178.9 | -64.2 | -28 | 0 | 0 | 0 | 111 | R186 R193 R194 | R186-D190 WeakPolarHBondContact O-CB 3.4Å; R186-D190 VanDerWaalsContact O-CG 3.29Å; R186-D190 PolarHBondContact O-N 3.35Å; D190-R193 PolarHBondContact O-N 2.95Å; D190-R194 WeakPolarHBondContact O-CB 3.3Å; D190-R194 WeakPolarHBondContact O-CG 3.45Å; D190-R194 PolarHBondContact O-N 3.04Å |
| 191 | E | 90.1 | Very high | 76.4 | Confident | 92 Ų | 92 | 112.9 Ų | 112.9 | 43% | 0.43 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -43.3 | 169.3 | -168.2 | 64.1 | -123.8 | 0 | 0 | 111.3 | G187 R193 R194 A195 | G187-E191 WeakPolarHBondContact O-CA 3.47Å; G187-E191 WeakPolarHBondContact O-CB 3.46Å; G187-E191 PolarHBondContact O-N 3.28Å; E191-R193 VanDerWaalsContact C-N 3.33Å; E191-R193 PolarHBondContact O-N 3.2Å; E191-R194 VanDerWaalsContact CD-NH1 3.32Å; E191-R194 PolarHBondContact O-N 3.37Å; E191-R194 IonicContact OE1-NH1 2.72Å; E191-R194 PolarHBondContact OE1-NH1 2.98Å; E191-R194 IonicContact OE2-CZ 2.95Å; E191-R194 IonicContact OE2-NH1 3.64Å; E191-R194 PolarHBondContact OE2-NH1 3.41Å; E191-R194 IonicContact OE2-NH2 3.75Å; E191-R194 PolarHBondContact OE2-NH2 3.33Å; E191-A195 WeakPolarHBondContact O-CB 3.26Å; E191-A195 PolarHBondContact O-N 3.35Å |
| 192 | K | 89.4 | Confident | 79.2 | Confident | 150 Ų | 150 | 109.9 Ų | 109.9 | 65% | 0.652 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.2 | -40.8 | 173.9 | -75.7 | 175 | -176.8 | -177.5 | 0 | 112.1 | S188 R189 Q196 | S188-K192 VanDerWaalsContact O-CG 3.3Å; S188-K192 WeakPolarHBondContact O-CG 3.36Å; S188-K192 PolarHBondContact O-N 3.03Å; R189-K192 PolarHBondContact O-N 3.48Å; K192-Q196 WeakPolarHBondContact O-CB 3.33Å; K192-Q196 PolarHBondContact O-N 2.71Å |
| 193 | R | 90 | Very high | 81.7 | Confident | 161 Ų | 161 | 108.3 Ų | 108.3 | 61% | 0.608 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -45.3 | 174.5 | -80.2 | 179.6 | 154.4 | -100.2 | -3.2 | 111.9 | R189 D190 E191 Q196 H197 | R189-R193 PolarHBondContact O-N 3.32Å; D190-R193 PolarHBondContact O-N 2.95Å; E191-R193 VanDerWaalsContact C-N 3.33Å; E191-R193 PolarHBondContact O-N 3.2Å; R193-Q196 PolarHBondContact O-N 2.88Å; R193-H197 WeakPolarHBondContact O-CB 3.36Å; R193-H197 PolarHBondContact O-N 3.29Å |
| 194 | R | 90.3 | Very high | 84.4 | Confident | 124 Ų | 124 | 105.7 Ų | 105.7 | 47% | 0.468 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.7 | -77.9 | -173.2 | -78.1 | 113.1 | 0.2 | 111.7 | D190 E191 H197 N198 | D190-R194 WeakPolarHBondContact O-CB 3.3Å; D190-R194 WeakPolarHBondContact O-CG 3.45Å; D190-R194 PolarHBondContact O-N 3.04Å; E191-R194 VanDerWaalsContact CD-NH1 3.32Å; E191-R194 PolarHBondContact O-N 3.37Å; E191-R194 IonicContact OE1-NH1 2.72Å; E191-R194 PolarHBondContact OE1-NH1 2.98Å; E191-R194 IonicContact OE2-CZ 2.95Å; E191-R194 IonicContact OE2-NH1 3.64Å; E191-R194 PolarHBondContact OE2-NH1 3.41Å; E191-R194 IonicContact OE2-NH2 3.75Å; E191-R194 PolarHBondContact OE2-NH2 3.33Å; R194-H197 PolarHBondContact O-N 2.91Å; R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-ND2 3.4Å |
| 195 | A | 92.4 | Very high | 86.6 | Confident | 49 Ų | 49 | 109.5 Ų | 109.5 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | E191 N198 E199 | E191-A195 WeakPolarHBondContact O-CB 3.26Å; E191-A195 PolarHBondContact O-N 3.35Å; A195-N198 PolarHBondContact O-N 3.02Å; A195-E199 WeakPolarHBondContact O-CB 3.32Å; A195-E199 PolarHBondContact O-N 2.88Å |
| 196 | Q | 94.4 | Very high | 88.5 | Confident | 136 Ų | 136 | 106.5 Ų | 106.5 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 175.2 | -173.6 | -178.8 | 29.8 | 0 | 0 | 111.2 | K192 R193 E199 V200 | K192-Q196 WeakPolarHBondContact O-CB 3.33Å; K192-Q196 PolarHBondContact O-N 2.71Å; R193-Q196 PolarHBondContact O-N 2.88Å; Q196-E199 PolarHBondContact O-N 2.99Å; Q196-V200 VanDerWaalsContact O-CG2 3.28Å; Q196-V200 WeakPolarHBondContact O-CG2 3.45Å; Q196-V200 PolarHBondContact O-N 3.42Å |
| 197 | H | 95.9 | Very high | 90.5 | Very high | 126 Ų | 126 | 104.3 Ų | 104.3 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.7 | -45.5 | 175.8 | 178.9 | -91.5 | 0 | 0 | 0 | 111.9 | R193 R194 E199 V200 E201 | R193-H197 WeakPolarHBondContact O-CB 3.36Å; R193-H197 PolarHBondContact O-N 3.29Å; R194-H197 PolarHBondContact O-N 2.91Å; H197-E199 VanDerWaalsContact C-N 3.34Å; H197-E199 PolarHBondContact O-N 3.46Å; H197-V200 PolarHBondContact O-N 3.42Å; H197-E201 PolarHBondContact O-N 2.84Å |
| 198 | N | 96.6 | Very high | 92.1 | Very high | 100 Ų | 100 | 104.9 Ų | 104.9 | 54% | 0.535 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 177.3 | -75 | -13.8 | 0 | 0 | 0 | 112.3 | R194 A195 E201 R202 | R194-N198 WeakPolarHBondContact O-CB 3.32Å; R194-N198 PolarHBondContact O-N 3.15Å; R194-N198 PolarHBondContact O-ND2 3.4Å; A195-N198 PolarHBondContact O-N 3.02Å; N198-E201 PolarHBondContact O-N 3.3Å; N198-R202 WeakPolarHBondContact O-CB 3.3Å; N198-R202 PolarHBondContact O-N 2.91Å |
| 199 | E | 96.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 103.7 Ų | 103.7 | 28% | 0.276 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 177.3 | -179.7 | 58.2 | -163.2 | 0 | 0 | 111.8 | A195 Q196 H197 R202 R203 | A195-E199 WeakPolarHBondContact O-CB 3.32Å; A195-E199 PolarHBondContact O-N 2.88Å; Q196-E199 PolarHBondContact O-N 2.99Å; H197-E199 VanDerWaalsContact C-N 3.34Å; H197-E199 PolarHBondContact O-N 3.46Å; E199-R202 PolarHBondContact O-N 2.92Å; E199-R202 IonicContact OE1-CZ 3.69Å; E199-R202 IonicContact OE1-NE 3.69Å; E199-R202 IonicContact OE1-NH2 2.98Å; E199-R202 PolarHBondContact OE1-NH2 3.31Å; E199-R202 IonicContact OE2-CZ 3.56Å; E199-R202 IonicContact OE2-NE 2.73Å; E199-R202 PolarHBondContact OE2-NE 3.04Å; E199-R202 IonicContact OE2-NH2 3.72Å; E199-R203 VanDerWaalsContact CG-NH2 3.31Å; E199-R203 WeakPolarHBondContact O-CG 3.48Å; E199-R203 PolarHBondContact O-N 3.19Å; E199-R203 IonicContact OE1-CZ 3.2Å; E199-R203 IonicContact OE1-NE 2.98Å; E199-R203 PolarHBondContact OE1-NE 3.31Å; E199-R203 IonicContact OE1-NH2 2.84Å; E199-R203 PolarHBondContact OE1-NH2 3.05Å |
| 200 | V | 97.3 | Very high | 94.2 | Very high | 86 Ų | 86 | 100.4 Ų | 100.4 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | Q196 H197 R202 R203 R204 | Q196-V200 VanDerWaalsContact O-CG2 3.28Å; Q196-V200 WeakPolarHBondContact O-CG2 3.45Å; Q196-V200 PolarHBondContact O-N 3.42Å; H197-V200 PolarHBondContact O-N 3.42Å; V200-R202 VanDerWaalsContact C-N 3.35Å; V200-R202 PolarHBondContact O-N 3.04Å; V200-R203 PolarHBondContact O-N 3.12Å; V200-R204 PolarHBondContact O-N 3.28Å |
| 201 | E | 96.7 | Very high | 94.8 | Very high | 56 Ų | 56 | 104.8 Ų | 104.8 | 26% | 0.262 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 178.2 | -176.6 | 54.4 | -149.6 | 0 | 0 | 111.8 | H197 N198 R203 R204 R205 | H197-E201 PolarHBondContact O-N 2.84Å; N198-E201 PolarHBondContact O-N 3.3Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.09Å; E201-R204 PolarHBondContact O-N 3.09Å; E201-R204 IonicContact OE1-NH1 2.71Å; E201-R204 PolarHBondContact OE1-NH1 3.42Å; E201-R204 WeakPolarHBondContact OE2-CD 3.37Å; E201-R204 IonicContact OE2-NH1 3.08Å; E201-R205 HydrophobicContact CG-CG 4.48Å; E201-R205 WeakPolarHBondContact O-CG 3.14Å; E201-R205 PolarHBondContact O-N 2.84Å; E201-R205 WeakPolarHBondContact OE1-CG 3.46Å |
| 202 | R | 96.6 | Very high | 94.9 | Very high | 103 Ų | 103 | 101.4 Ų | 101.4 | 39% | 0.389 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 174.1 | -166.3 | -172 | 72.9 | 71.6 | 6.5 | 111 | N198 E199 V200 R204 R205 D206 | N198-R202 WeakPolarHBondContact O-CB 3.3Å; N198-R202 PolarHBondContact O-N 2.91Å; E199-R202 PolarHBondContact O-N 2.92Å; E199-R202 IonicContact OE1-CZ 3.69Å; E199-R202 IonicContact OE1-NE 3.69Å; E199-R202 IonicContact OE1-NH2 2.98Å; E199-R202 PolarHBondContact OE1-NH2 3.31Å; E199-R202 IonicContact OE2-CZ 3.56Å; E199-R202 IonicContact OE2-NE 2.73Å; E199-R202 PolarHBondContact OE2-NE 3.04Å; E199-R202 IonicContact OE2-NH2 3.72Å; V200-R202 VanDerWaalsContact C-N 3.35Å; V200-R202 PolarHBondContact O-N 3.04Å; R202-R204 VanDerWaalsContact C-N 3.34Å; R202-R204 PolarHBondContact O-N 2.92Å; R202-R205 PolarHBondContact O-N 3.47Å; R202-D206 IonicContact CZ-OD2 2.9Å; R202-D206 IonicContact NH1-OD2 3.29Å; R202-D206 PolarHBondContact NH1-OD2 3.07Å; R202-D206 VanDerWaalsContact O-CG 3.24Å; R202-D206 PolarHBondContact O-N 3.43Å |
| 203 | R | 97.3 | Very high | 94.9 | Very high | 138 Ų | 138 | 97.8 Ų | 97.8 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.2 | -69.8 | 179.7 | -169.4 | 143.9 | 5.4 | 112.9 | E199 V200 E201 D206 K207 | E199-R203 VanDerWaalsContact CG-NH2 3.31Å; E199-R203 WeakPolarHBondContact O-CG 3.48Å; E199-R203 PolarHBondContact O-N 3.19Å; E199-R203 IonicContact OE1-CZ 3.2Å; E199-R203 IonicContact OE1-NE 2.98Å; E199-R203 PolarHBondContact OE1-NE 3.31Å; E199-R203 IonicContact OE1-NH2 2.84Å; E199-R203 PolarHBondContact OE1-NH2 3.05Å; V200-R203 PolarHBondContact O-N 3.12Å; E201-R203 VanDerWaalsContact C-N 3.35Å; E201-R203 PolarHBondContact O-N 3.09Å; R203-D206 PolarHBondContact O-N 2.88Å; R203-K207 WeakPolarHBondContact O-CG 3.37Å; R203-K207 PolarHBondContact O-N 2.96Å |
| 204 | R | 97.7 | Very high | 94.9 | Very high | 139 Ų | 139 | 95.6 Ų | 95.6 | 53% | 0.525 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 173.8 | -179.8 | -178.9 | 166.7 | -84.3 | -4.4 | 110.9 | V200 E201 R202 D206 K207 I208 | V200-R204 PolarHBondContact O-N 3.28Å; E201-R204 PolarHBondContact O-N 3.09Å; E201-R204 IonicContact OE1-NH1 2.71Å; E201-R204 PolarHBondContact OE1-NH1 3.42Å; E201-R204 WeakPolarHBondContact OE2-CD 3.37Å; E201-R204 IonicContact OE2-NH1 3.08Å; R202-R204 VanDerWaalsContact C-N 3.34Å; R202-R204 PolarHBondContact O-N 2.92Å; R204-D206 VanDerWaalsContact C-N 3.34Å; R204-D206 PolarHBondContact O-N 3.34Å; R204-K207 PolarHBondContact O-N 3Å; R204-I208 HydrophobicContact CG-CD1 4.22Å; R204-I208 WeakPolarHBondContact O-CG1 3.46Å; R204-I208 PolarHBondContact O-N 3.16Å |
| 205 | R | 96.6 | Very high | 94.9 | Very high | 130 Ų | 130 | 92.5 Ų | 92.5 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.1 | -69.2 | -172.3 | -57.3 | -135.3 | 2.2 | 112.1 | E201 R202 I208 N209 | E201-R205 HydrophobicContact CG-CG 4.48Å; E201-R205 WeakPolarHBondContact O-CG 3.14Å; E201-R205 PolarHBondContact O-N 2.84Å; E201-R205 WeakPolarHBondContact OE1-CG 3.46Å; R202-R205 PolarHBondContact O-N 3.47Å; R205-I208 PolarHBondContact O-N 3.39Å; R205-N209 WeakPolarHBondContact O-CB 3.28Å; R205-N209 PolarHBondContact O-N 3.1Å; R205-N209 PolarHBondContact O-ND2 3.28Å; R205-N209 PolarHBondContact O-OD1 3.47Å |
| 206 | D | 95.9 | Very high | 94.7 | Very high | 57 Ų | 57 | 91.3 Ų | 91.3 | 31% | 0.305 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 177.4 | -66.1 | -17.4 | 0 | 0 | 0 | 111.4 | R202 R203 R204 I208 N209 N210 | R202-D206 IonicContact CZ-OD2 2.9Å; R202-D206 IonicContact NH1-OD2 3.29Å; R202-D206 PolarHBondContact NH1-OD2 3.07Å; R202-D206 VanDerWaalsContact O-CG 3.24Å; R202-D206 PolarHBondContact O-N 3.43Å; R203-D206 PolarHBondContact O-N 2.88Å; R204-D206 VanDerWaalsContact C-N 3.34Å; R204-D206 PolarHBondContact O-N 3.34Å; D206-I208 PolarHBondContact O-N 3.41Å; D206-N209 PolarHBondContact O-N 2.9Å; D206-N210 WeakPolarHBondContact O-CB 3.37Å; D206-N210 PolarHBondContact O-N 2.85Å; D206-N210 PolarHBondContact O-ND2 2.8Å |
| 207 | K | 96.4 | Very high | 94.4 | Very high | 132 Ų | 132 | 92.4 Ų | 92.4 | 57% | 0.574 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.5 | -46.9 | 173.8 | -76.1 | -175.8 | 178.3 | -173.9 | 0 | 112.3 | R203 R204 N209 N210 W211 | R203-K207 WeakPolarHBondContact O-CG 3.37Å; R203-K207 PolarHBondContact O-N 2.96Å; R204-K207 PolarHBondContact O-N 3Å; K207-N209 VanDerWaalsContact C-N 3.32Å; K207-N209 PolarHBondContact O-N 3.1Å; K207-N210 PolarHBondContact O-N 3.38Å; K207-W211 PolarHBondContact O-N 2.83Å |
| 208 | I | 95.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 91.4 Ų | 91.4 | 28% | 0.282 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 176.7 | -69.1 | 169.2 | 0 | 0 | 0 | 110.5 | R204 R205 D206 N210 W211 I212 | R204-I208 HydrophobicContact CG-CD1 4.22Å; R204-I208 WeakPolarHBondContact O-CG1 3.46Å; R204-I208 PolarHBondContact O-N 3.16Å; R205-I208 PolarHBondContact O-N 3.39Å; D206-I208 PolarHBondContact O-N 3.41Å; I208-N210 VanDerWaalsContact C-N 3.33Å; I208-N210 PolarHBondContact O-N 3.45Å; I208-W211 PolarHBondContact O-N 3.29Å; I208-I212 HydrophobicContact CG2-CD1 3.82Å; I208-I212 HydrophobicContact CG2-CG1 4.45Å; I208-I212 WeakPolarHBondContact O-CG1 3.49Å; I208-I212 PolarHBondContact O-N 2.85Å |
| 209 | N | 95.1 | Very high | 93.4 | Very high | 46 Ų | 46 | 86.9 Ų | 86.9 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 178.1 | -65.3 | -21.5 | 0 | 0 | 0 | 111.6 | R205 D206 K207 W211 I212 V213 K233 | R205-N209 WeakPolarHBondContact O-CB 3.28Å; R205-N209 PolarHBondContact O-N 3.1Å; R205-N209 PolarHBondContact O-ND2 3.28Å; R205-N209 PolarHBondContact O-OD1 3.47Å; D206-N209 PolarHBondContact O-N 2.9Å; K207-N209 VanDerWaalsContact C-N 3.32Å; K207-N209 PolarHBondContact O-N 3.1Å; N209-W211 PolarHBondContact O-N 3.44Å; N209-I212 PolarHBondContact O-N 3.03Å; N209-V213 VanDerWaalsContact O-CG2 3.3Å; N209-V213 WeakPolarHBondContact O-CG2 3.44Å; N209-V213 PolarHBondContact O-N 3.15Å; N209-K233 VanDerWaalsContact OD1-CE 3.23Å; N209-K233 WeakPolarHBondContact OD1-CE 3.27Å; N209-K233 PolarHBondContact OD1-NZ 3.08Å |
| 210 | N | 95.4 | Very high | 92.6 | Very high | 97 Ų | 97 | 87 Ų | 87 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.7 | -70.2 | -19 | 0 | 0 | 0 | 111.8 | D206 K207 I208 V213 Q214 | D206-N210 WeakPolarHBondContact O-CB 3.37Å; D206-N210 PolarHBondContact O-N 2.85Å; D206-N210 PolarHBondContact O-ND2 2.8Å; K207-N210 PolarHBondContact O-N 3.38Å; I208-N210 VanDerWaalsContact C-N 3.33Å; I208-N210 PolarHBondContact O-N 3.45Å; N210-V213 PolarHBondContact O-N 3.42Å; N210-Q214 WeakPolarHBondContact O-CG 3.46Å; N210-Q214 PolarHBondContact O-N 3.38Å |
| 211 | W | 95 | Very high | 91.2 | Very high | 165 Ų | 165 | 87.6 Ų | 87.6 | 63% | 0.625 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 175.5 | -67.9 | -30.4 | 0 | 0 | 0 | 112.9 | K207 I208 N209 V213 Q214 L215 | K207-W211 PolarHBondContact O-N 2.83Å; I208-W211 PolarHBondContact O-N 3.29Å; N209-W211 PolarHBondContact O-N 3.44Å; W211-V213 VanDerWaalsContact C-N 3.31Å; W211-V213 PolarHBondContact O-N 3.18Å; W211-Q214 PolarHBondContact O-N 3Å; W211-L215 VanDerWaalsContact O-CB 3.32Å; W211-L215 WeakPolarHBondContact O-CB 3.34Å; W211-L215 PolarHBondContact O-N 3.2Å |
| 212 | I | 91.6 | Very high | 89.5 | Confident | 21 Ų | 21 | 85.1 Ų | 85.1 | 11% | 0.108 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 174.4 | -67.9 | 168.1 | 0 | 0 | 0 | 110.8 | I208 N209 L215 S216 K233 I236 | I208-I212 HydrophobicContact CG2-CD1 3.82Å; I208-I212 HydrophobicContact CG2-CG1 4.45Å; I208-I212 WeakPolarHBondContact O-CG1 3.49Å; I208-I212 PolarHBondContact O-N 2.85Å; N209-I212 PolarHBondContact O-N 3.03Å; I212-L215 WeakPolarHBondContact O-CB 3.5Å; I212-L215 PolarHBondContact O-N 2.88Å; I212-S216 PolarHBondContact O-N 3.49Å; I212-K233 HydrophobicContact CD1-CB 4.17Å; I212-K233 HydrophobicContact CD1-CD 3.93Å; I212-K233 HydrophobicContact CD1-CG 4.07Å; I212-K233 HydrophobicContact CG2-CB 4.36Å; I212-K233 HydrophobicContact CG2-CG 4.21Å; I212-I236 HydrophobicContact CG2-CB 4.32Å; I212-I236 HydrophobicContact CG2-CD1 3.78Å; I212-I236 HydrophobicContact CG2-CG2 4.2Å |
| 213 | V | 89.2 | Confident | 87.9 | Confident | 73 Ų | 73 | 85 Ų | 85 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | N209 N210 W211 S216 K217 | N209-V213 VanDerWaalsContact O-CG2 3.3Å; N209-V213 WeakPolarHBondContact O-CG2 3.44Å; N209-V213 PolarHBondContact O-N 3.15Å; N210-V213 PolarHBondContact O-N 3.42Å; W211-V213 VanDerWaalsContact C-N 3.31Å; W211-V213 PolarHBondContact O-N 3.18Å; V213-S216 PolarHBondContact O-OG 3.33Å; V213-K217 WeakPolarHBondContact O-CG 3.3Å; V213-K217 PolarHBondContact O-N 2.74Å |
| 214 | Q | 90.1 | Very high | 86.1 | Confident | 116 Ų | 116 | 84.4 Ų | 84.4 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 173 | -75.7 | 177.8 | -5.8 | 0 | 0 | 111.4 | N210 W211 S216 K217 T218 | N210-Q214 WeakPolarHBondContact O-CG 3.46Å; N210-Q214 PolarHBondContact O-N 3.38Å; W211-Q214 PolarHBondContact O-N 3Å; Q214-S216 VanDerWaalsContact C-N 3.33Å; Q214-S216 PolarHBondContact O-N 3.47Å; Q214-K217 PolarHBondContact O-N 2.93Å; Q214-K217 VanDerWaalsContact O-N 3.17Å; Q214-T218 PolarHBondContact O-N 2.83Å; Q214-T218 PolarHBondContact O-OG1 3.45Å; Q214-T218 VanDerWaalsContact O-OG1 3.05Å |
| 215 | L | 90.8 | Very high | 84.3 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 176.1 | -177.9 | 60.4 | 0 | 0 | 0 | 111.1 | W211 I212 K217 T218 I219 I236 L237 A240 | W211-L215 VanDerWaalsContact O-CB 3.32Å; W211-L215 WeakPolarHBondContact O-CB 3.34Å; W211-L215 PolarHBondContact O-N 3.2Å; I212-L215 WeakPolarHBondContact O-CB 3.5Å; I212-L215 PolarHBondContact O-N 2.88Å; L215-K217 PolarHBondContact O-N 3.22Å; L215-T218 PolarHBondContact O-N 3.02Å; L215-T218 VanDerWaalsContact O-N 3.08Å; L215-I219 HydrophobicContact CD1-CD1 3.76Å; L215-I219 HydrophobicContact CD1-CG1 4.3Å; L215-I219 HydrophobicContact CG-CD1 3.67Å; L215-I219 WeakPolarHBondContact O-CD1 3.4Å; L215-I219 WeakPolarHBondContact O-CG1 3.22Å; L215-I219 PolarHBondContact O-N 3.28Å; L215-I236 HydrophobicContact CB-CG2 4.39Å; L215-I236 HydrophobicContact CD2-CG2 4.27Å; L215-I236 HydrophobicContact CG-CG2 4.19Å; L215-L237 HydrophobicContact CD2-CD2 3.93Å; L215-A240 HydrophobicContact CD1-CB 4.12Å; L215-A240 HydrophobicContact CD2-CB 3.81Å; L215-A240 HydrophobicContact CG-CB 4.11Å |
| 216 | S | 89.3 | Confident | 82.7 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.5 | -25 | 178.2 | 70.9 | 0 | 0 | 0 | 0 | 114.2 | I212 V213 Q214 C222 | I212-S216 PolarHBondContact O-N 3.49Å; V213-S216 PolarHBondContact O-OG 3.33Å; Q214-S216 VanDerWaalsContact C-N 3.33Å; Q214-S216 PolarHBondContact O-N 3.47Å; S216-C222 VanDerWaalsContact O-CB 3.24Å; S216-C222 WeakPolarHBondContact O-CB 3.26Å |
| 217 | K | 87.1 | Confident | 81.2 | Confident | 158 Ų | 158 | 83.7 Ų | 83.7 | 69% | 0.687 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -79.1 | -26.9 | 175.4 | -68.8 | 175.9 | -178.1 | -173.6 | 0 | 112.9 | V213 Q214 L215 | V213-K217 WeakPolarHBondContact O-CG 3.3Å; V213-K217 PolarHBondContact O-N 2.74Å; Q214-K217 PolarHBondContact O-N 2.93Å; Q214-K217 VanDerWaalsContact O-N 3.17Å; L215-K217 PolarHBondContact O-N 3.22Å |
| 218 | T | 85.7 | Confident | 79.4 | Confident | 106 Ų | 106 | 87.1 Ų | 87.1 | 65% | 0.65 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -84.3 | -27.4 | -177.4 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | Q214 L215 P220 | Q214-T218 PolarHBondContact O-N 2.83Å; Q214-T218 PolarHBondContact O-OG1 3.45Å; Q214-T218 VanDerWaalsContact O-OG1 3.05Å; L215-T218 PolarHBondContact O-N 3.02Å; L215-T218 VanDerWaalsContact O-N 3.08Å; T218-P220 WeakPolarHBondContact O-CD 3.25Å |
| 219 | I | 86.4 | Confident | 77.9 | Confident | 4 Ų | 4 | 89.5 Ų | 89.5 | 2% | 0.021 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -86.9 | 117.3 | 178.3 | -59.8 | 154 | 0 | 0 | 0 | 109 | L215 E221 C222 K239 A240 Y243 | L215-I219 HydrophobicContact CD1-CD1 3.76Å; L215-I219 HydrophobicContact CD1-CG1 4.3Å; L215-I219 HydrophobicContact CG-CD1 3.67Å; L215-I219 WeakPolarHBondContact O-CD1 3.4Å; L215-I219 WeakPolarHBondContact O-CG1 3.22Å; L215-I219 PolarHBondContact O-N 3.28Å; I219-E221 VanDerWaalsContact C-N 3.28Å; I219-E221 HydrophobicContact CG2-CB 4.27Å; I219-E221 PolarHBondContact O-N 3.38Å; I219-C222 HydrophobicContact CB-CB 4.15Å; I219-C222 HydrophobicContact CG2-CB 4.34Å; I219-C222 PolarHBondContact O-N 3.01Å; I219-C222 VanDerWaalsContact O-N 3.14Å; I219-K239 HydrophobicContact CG2-CB 4.43Å; I219-A240 HydrophobicContact CD1-CB 3.33Å; I219-A240 HydrophobicContact CG1-CB 4.38Å; I219-Y243 HydrophobicContact CG1-CD1 4.19Å; I219-Y243 HydrophobicContact CG2-CD1 4.34Å; I219-Y243 HydrophobicContact CG2-CG 4.21Å |
| 220 | P | 79.5 | Confident | 76.5 | Confident | 61 Ų | 61 | 87.6 Ų | 87.6 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.1 | -42.3 | -178.4 | -25.4 | 34.3 | 0 | 0 | 0 | 113 | T218 C222 N223 Y243 | T218-P220 WeakPolarHBondContact O-CD 3.25Å; P220-C222 VanDerWaalsContact C-N 3.28Å; P220-C222 PolarHBondContact O-N 2.91Å; P220-N223 PolarHBondContact O-N 3.29Å; P220-Y243 HydrophobicContact CG-CE2 4.17Å |
| 221 | E | 67.5 | Low | 75.6 | Confident | 99 Ų | 99 | 88.1 Ų | 88.1 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.8 | -15.6 | -177.1 | -60.7 | -54.7 | 126.6 | 0 | 0 | 114.5 | I219 K239 | I219-E221 VanDerWaalsContact C-N 3.28Å; I219-E221 HydrophobicContact CG2-CB 4.27Å; I219-E221 PolarHBondContact O-N 3.38Å; E221-K239 HydrophobicContact CB-CD 4.44Å; E221-K239 PolarHBondContact O-NZ 3.38Å |
| 222 | C | 60.6 | Low | 75.2 | Confident | 5 Ų | 5 | 82.5 Ų | 82.5 | 3% | 0.034 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -86.3 | -19.3 | 176.5 | -84.7 | 0 | 0 | 0 | 0 | 113.3 | S216 I219 P220 K239 | S216-C222 VanDerWaalsContact O-CB 3.24Å; S216-C222 WeakPolarHBondContact O-CB 3.26Å; I219-C222 HydrophobicContact CB-CB 4.15Å; I219-C222 HydrophobicContact CG2-CB 4.34Å; I219-C222 PolarHBondContact O-N 3.01Å; I219-C222 VanDerWaalsContact O-N 3.14Å; P220-C222 VanDerWaalsContact C-N 3.28Å; P220-C222 PolarHBondContact O-N 2.91Å; C222-K239 VanDerWaalsContact SG-CD 3.55Å |
| 223 | N | 62.5 | Low | 75 | Confident | 101 Ų | 101 | 87 Ų | 87 | 54% | 0.54 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -81.2 | -31 | -178.9 | -167.5 | 4.8 | 0 | 0 | 0 | 112.2 | P220 | P220-N223 PolarHBondContact O-N 3.29Å |
| 224 | I | 60.8 | Low | 74.9 | Confident | 124 Ų | 124 | 86 Ų | 86 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -87 | -32.3 | -172.4 | -89.3 | 155.4 | 0 | 0 | 0 | 113.5 | Y226 | I224-Y226 PolarHBondContact O-N 3.17Å; I224-Y226 VanDerWaalsContact O-N 3.16Å |
| 225 | D | 58.9 | Low | 74.8 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 34% | 0.337 | 43% | 0.428 | S | S | . | . | trans | -87 | 90 | 179.8 | -78.6 | -27.3 | 0 | 0 | 0 | 112 | T227 K239 | D225-T227 PolarHBondContact O-N 3.42Å; D225-K239 IonicContact OD2-NZ 2.61Å; D225-K239 PolarHBondContact OD2-NZ 3.16Å | ||
| 226 | Y | 63.5 | Low | 74.8 | Confident | 174 Ų | 174 | 78.8 Ų | 78.8 | 68% | 0.682 | 42% | 0.415 | S | S | * | . | trans | -70.3 | 11.7 | 166.4 | -67.5 | -85.1 | 0 | 0 | 0 | 113.4 | I224 | I224-Y226 PolarHBondContact O-N 3.17Å; I224-Y226 VanDerWaalsContact O-N 3.16Å | ||
| 227 | T | 64.1 | Low | 74.9 | Confident | 74 Ų | 74 | 82 Ų | 82 | 45% | 0.454 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -70.6 | 139.2 | 173.5 | 64.5 | 0 | 0 | 0 | 0 | 109.2 | D225 T229 G230 Q231 | D225-T227 PolarHBondContact O-N 3.42Å; T227-T229 PolarHBondContact O-N 3.22Å; T227-G230 PolarHBondContact O-N 3.39Å; T227-Q231 PolarHBondContact O-N 3.45Å |
| 228 | K | 60 | Low | 75 | Confident | 204 Ų | 204 | 77.6 Ų | 77.6 | 89% | 0.887 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -22.1 | -175 | -65.6 | -176.2 | 179.1 | 179.5 | 0 | 113.6 | ||
| 229 | T | 63.2 | Low | 75.2 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -37.9 | 176 | 5.6 | 0 | 0 | 0 | 0 | 113 | T227 S232 | T227-T229 PolarHBondContact O-N 3.22Å; T229-S232 WeakPolarHBondContact O-CB 3.45Å; T229-S232 PolarHBondContact O-N 3.05Å; T229-S232 PolarHBondContact O-OG 3.17Å |
| 230 | G | 64.4 | Low | 75.5 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 5% | 0.052 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -32.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T227 | T227-G230 PolarHBondContact O-N 3.39Š|
| 231 | Q | 77.7 | Confident | 76 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -2.3 | 175 | -65.4 | -171 | -20.5 | 0 | 0 | 113.8 | T227 I236 | T227-Q231 PolarHBondContact O-N 3.45Å; Q231-I236 WeakPolarHBondContact O-CD1 3.26Å |
| 232 | S | 86.3 | Confident | 77.2 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -68.9 | 150.9 | 177.4 | 75.7 | 0 | 0 | 0 | 0 | 110.5 | T229 G234 G235 I236 | T229-S232 WeakPolarHBondContact O-CB 3.45Å; T229-S232 PolarHBondContact O-N 3.05Å; T229-S232 PolarHBondContact O-OG 3.17Å; S232-G234 PolarHBondContact O-N 3.27Å; S232-G234 VanDerWaalsContact O-N 3.16Å; S232-G235 PolarHBondContact O-N 2.89Å; S232-G235 PolarHBondContact OG-N 3.27Å; S232-I236 WeakPolarHBondContact O-CG1 3.49Å; S232-I236 PolarHBondContact O-N 2.87Å |
| 233 | K | 86.8 | Confident | 78.8 | Confident | 117 Ų | 117 | 76.7 Ų | 76.7 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -53.8 | -37.9 | 177.1 | -61.8 | -176.1 | -171.1 | 177.8 | 0 | 112.1 | N209 I212 L237 | N209-K233 VanDerWaalsContact OD1-CE 3.23Å; N209-K233 WeakPolarHBondContact OD1-CE 3.27Å; N209-K233 PolarHBondContact OD1-NZ 3.08Å; I212-K233 HydrophobicContact CD1-CB 4.17Å; I212-K233 HydrophobicContact CD1-CD 3.93Å; I212-K233 HydrophobicContact CD1-CG 4.07Å; I212-K233 HydrophobicContact CG2-CB 4.36Å; I212-K233 HydrophobicContact CG2-CG 4.21Å; K233-L237 WeakPolarHBondContact O-CD1 3.38Å; K233-L237 WeakPolarHBondContact O-CG 3.4Å; K233-L237 PolarHBondContact O-N 3.16Å |
| 234 | G | 88.2 | Confident | 80.3 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 52% | 0.515 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.7 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S232 L237 S238 | S232-G234 PolarHBondContact O-N 3.27Å; S232-G234 VanDerWaalsContact O-N 3.16Å; G234-L237 PolarHBondContact O-N 3.47Å; G234-S238 PolarHBondContact O-N 3.28Å |
| 235 | G | 88.1 | Confident | 81.9 | Confident | 16 Ų | 16 | 76.1 Ų | 76.1 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | S232 S238 K239 | S232-G235 PolarHBondContact O-N 2.89Å; S232-G235 PolarHBondContact OG-N 3.27Å; G235-S238 PolarHBondContact O-N 3.36Å; G235-K239 WeakPolarHBondContact O-CB 3.48Å; G235-K239 WeakPolarHBondContact O-CG 3.38Å; G235-K239 PolarHBondContact O-N 3.14Å |
| 236 | I | 90.3 | Very high | 83.6 | Confident | 8 Ų | 8 | 78.7 Ų | 78.7 | 4% | 0.041 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.6 | -64.7 | 160.9 | 0 | 0 | 0 | 110.7 | I212 L215 Q231 S232 K239 A240 | I212-I236 HydrophobicContact CG2-CB 4.32Å; I212-I236 HydrophobicContact CG2-CD1 3.78Å; I212-I236 HydrophobicContact CG2-CG2 4.2Å; L215-I236 HydrophobicContact CB-CG2 4.39Å; L215-I236 HydrophobicContact CD2-CG2 4.27Å; L215-I236 HydrophobicContact CG-CG2 4.19Å; Q231-I236 WeakPolarHBondContact O-CD1 3.26Å; S232-I236 WeakPolarHBondContact O-CG1 3.49Å; S232-I236 PolarHBondContact O-N 2.87Å; I236-K239 PolarHBondContact O-N 3.26Å; I236-A240 VanDerWaalsContact O-CB 3.29Å; I236-A240 WeakPolarHBondContact O-CB 3.42Å; I236-A240 PolarHBondContact O-N 3.28Å |
| 237 | L | 91 | Very high | 85.1 | Confident | 92 Ų | 92 | 73.6 Ų | 73.6 | 48% | 0.482 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 179.4 | -69 | 172.4 | 0 | 0 | 0 | 112.5 | L215 K233 G234 A240 C241 | L215-L237 HydrophobicContact CD2-CD2 3.93Å; K233-L237 WeakPolarHBondContact O-CD1 3.38Å; K233-L237 WeakPolarHBondContact O-CG 3.4Å; K233-L237 PolarHBondContact O-N 3.16Å; G234-L237 PolarHBondContact O-N 3.47Å; L237-A240 WeakPolarHBondContact O-CB 3.31Å; L237-A240 PolarHBondContact O-N 3.39Å; L237-C241 PolarHBondContact O-N 2.88Å |
| 238 | S | 90.2 | Very high | 86.7 | Confident | 66 Ų | 66 | 79 Ų | 79 | 46% | 0.462 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62 | -52.7 | 174.9 | -166.7 | 0 | 0 | 0 | 0 | 110.7 | G234 G235 A240 C241 D242 | G234-S238 PolarHBondContact O-N 3.28Å; G235-S238 PolarHBondContact O-N 3.36Å; S238-A240 VanDerWaalsContact C-N 3.27Å; S238-A240 PolarHBondContact O-N 3.5Å; S238-C241 WeakPolarHBondContact O-CB 3.42Å; S238-C241 PolarHBondContact O-N 2.99Å; S238-D242 PolarHBondContact O-N 3Å |
| 239 | K | 89.4 | Confident | 88.4 | Confident | 39 Ų | 39 | 75.7 Ų | 75.7 | 17% | 0.17 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -34.6 | 178.5 | -72.8 | -178.7 | 168.4 | -161 | 0 | 112.7 | I219 E221 C222 D225 G235 I236 C241 D242 Y243 | I219-K239 HydrophobicContact CG2-CB 4.43Å; E221-K239 HydrophobicContact CB-CD 4.44Å; E221-K239 PolarHBondContact O-NZ 3.38Å; C222-K239 VanDerWaalsContact SG-CD 3.55Å; D225-K239 IonicContact OD2-NZ 2.61Å; D225-K239 PolarHBondContact OD2-NZ 3.16Å; G235-K239 WeakPolarHBondContact O-CB 3.48Å; G235-K239 WeakPolarHBondContact O-CG 3.38Å; G235-K239 PolarHBondContact O-N 3.14Å; I236-K239 PolarHBondContact O-N 3.26Å; K239-C241 VanDerWaalsContact C-N 3.35Å; K239-D242 PolarHBondContact O-N 3.13Å; K239-Y243 WeakPolarHBondContact O-CB 3.38Å; K239-Y243 PolarHBondContact O-N 3.46Å |
| 240 | A | 92.4 | Very high | 90 | Very high | 8 Ų | 8 | 73.3 Ų | 73.3 | 7% | 0.066 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L215 I219 I236 L237 S238 Y243 I244 | L215-A240 HydrophobicContact CD1-CB 4.12Å; L215-A240 HydrophobicContact CD2-CB 3.81Å; L215-A240 HydrophobicContact CG-CB 4.11Å; I219-A240 HydrophobicContact CD1-CB 3.33Å; I219-A240 HydrophobicContact CG1-CB 4.38Å; I236-A240 VanDerWaalsContact O-CB 3.29Å; I236-A240 WeakPolarHBondContact O-CB 3.42Å; I236-A240 PolarHBondContact O-N 3.28Å; L237-A240 WeakPolarHBondContact O-CB 3.31Å; L237-A240 PolarHBondContact O-N 3.39Å; S238-A240 VanDerWaalsContact C-N 3.27Å; S238-A240 PolarHBondContact O-N 3.5Å; A240-Y243 PolarHBondContact O-N 3.26Å; A240-I244 WeakPolarHBondContact O-CD1 3.49Å; A240-I244 VanDerWaalsContact O-CG1 3.25Å; A240-I244 WeakPolarHBondContact O-CG1 3.35Å; A240-I244 PolarHBondContact O-N 3.45Å |
| 241 | C | 91 | Very high | 91.5 | Very high | 62 Ų | 62 | 78 Ų | 78 | 42% | 0.419 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 179.3 | -168.5 | 0 | 0 | 0 | 0 | 110.9 | L237 S238 K239 I244 K245 | L237-C241 PolarHBondContact O-N 2.88Å; S238-C241 WeakPolarHBondContact O-CB 3.42Å; S238-C241 PolarHBondContact O-N 2.99Å; K239-C241 VanDerWaalsContact C-N 3.35Å; C241-I244 PolarHBondContact O-N 3.25Å; C241-K245 WeakPolarHBondContact O-CG 3.38Å; C241-K245 PolarHBondContact O-N 2.87Å; C241-K245 VanDerWaalsContact O-N 3.12Å |
| 242 | D | 92 | Very high | 92.4 | Very high | 80 Ų | 80 | 78.5 Ų | 78.5 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 179.4 | -62.1 | -29.2 | 0 | 0 | 0 | 111.4 | S238 K239 I244 K245 E246 | S238-D242 PolarHBondContact O-N 3Å; K239-D242 PolarHBondContact O-N 3.13Å; D242-I244 VanDerWaalsContact C-N 3.34Å; D242-I244 PolarHBondContact O-N 3.45Å; D242-K245 WeakPolarHBondContact O-CB 3.37Å; D242-K245 PolarHBondContact O-N 3.28Å; D242-K245 VanDerWaalsContact O-N 3.14Å; D242-K245 IonicContact OD1-NZ 3.79Å; D242-E246 WeakPolarHBondContact O-CB 3.42Å; D242-E246 PolarHBondContact O-N 3.28Å |
| 243 | Y | 93.9 | Very high | 92.9 | Very high | 66 Ų | 66 | 82.2 Ų | 82.2 | 26% | 0.259 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 175.9 | -177.9 | -121.7 | 0 | 0 | 0 | 112.8 | I219 P220 K239 A240 E246 L247 | I219-Y243 HydrophobicContact CG1-CD1 4.19Å; I219-Y243 HydrophobicContact CG2-CD1 4.34Å; I219-Y243 HydrophobicContact CG2-CG 4.21Å; P220-Y243 HydrophobicContact CG-CE2 4.17Å; K239-Y243 WeakPolarHBondContact O-CB 3.38Å; K239-Y243 PolarHBondContact O-N 3.46Å; A240-Y243 PolarHBondContact O-N 3.26Å; Y243-E246 PolarHBondContact O-N 3.49Å; Y243-L247 HydrophobicContact CD1-CD1 3.8Å; Y243-L247 HydrophobicContact CD1-CG 4.45Å; Y243-L247 HydrophobicContact CD2-CD1 4.46Å; Y243-L247 HydrophobicContact CD2-CG 4.27Å; Y243-L247 HydrophobicContact CE1-CD1 3.33Å; Y243-L247 HydrophobicContact CE1-CG 4.07Å; Y243-L247 HydrophobicContact CE2-CD1 4.06Å; Y243-L247 HydrophobicContact CE2-CD2 4.24Å; Y243-L247 HydrophobicContact CE2-CG 3.84Å; Y243-L247 HydrophobicContact CG-CD1 4.34Å; Y243-L247 VanDerWaalsContact CZ-CD1 3.46Å; Y243-L247 VanDerWaalsContact O-CB 3.31Å; Y243-L247 WeakPolarHBondContact O-CB 3.31Å; Y243-L247 WeakPolarHBondContact O-CG 3.47Å; Y243-L247 PolarHBondContact O-N 3.12Å |
| 244 | I | 94.2 | Very high | 93.4 | Very high | 91 Ų | 91 | 80.8 Ų | 80.8 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65 | -41 | 174.9 | -70 | 164.9 | 0 | 0 | 0 | 111 | A240 C241 D242 R248 | A240-I244 WeakPolarHBondContact O-CD1 3.49Å; A240-I244 VanDerWaalsContact O-CG1 3.25Å; A240-I244 WeakPolarHBondContact O-CG1 3.35Å; A240-I244 PolarHBondContact O-N 3.45Å; C241-I244 PolarHBondContact O-N 3.25Å; D242-I244 VanDerWaalsContact C-N 3.34Å; D242-I244 PolarHBondContact O-N 3.45Å; I244-R248 WeakPolarHBondContact O-CB 3.47Å; I244-R248 VanDerWaalsContact O-CG 3.3Å; I244-R248 WeakPolarHBondContact O-CG 3.42Å; I244-R248 PolarHBondContact O-N 3.14Å |
| 245 | K | 94.7 | Very high | 93.8 | Very high | 123 Ų | 123 | 80 Ų | 80 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.4 | -69.3 | 169.6 | -171.9 | 165 | 0 | 110.9 | C241 D242 R248 Q249 | C241-K245 WeakPolarHBondContact O-CG 3.38Å; C241-K245 PolarHBondContact O-N 2.87Å; C241-K245 VanDerWaalsContact O-N 3.12Å; D242-K245 WeakPolarHBondContact O-CB 3.37Å; D242-K245 PolarHBondContact O-N 3.28Å; D242-K245 VanDerWaalsContact O-N 3.14Å; D242-K245 IonicContact OD1-NZ 3.79Å; K245-R248 PolarHBondContact O-N 3.41Å; K245-Q249 WeakPolarHBondContact O-CB 3.43Å; K245-Q249 PolarHBondContact O-N 3.33Å |
| 246 | E | 94.9 | Very high | 94.3 | Very high | 117 Ų | 117 | 84.4 Ų | 84.4 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 177.7 | -171.4 | -176 | 164.7 | 0 | 0 | 111.4 | D242 Y243 R248 Q249 S250 | D242-E246 WeakPolarHBondContact O-CB 3.42Å; D242-E246 PolarHBondContact O-N 3.28Å; Y243-E246 PolarHBondContact O-N 3.49Å; E246-R248 VanDerWaalsContact C-N 3.32Å; E246-R248 PolarHBondContact O-N 3.39Å; E246-Q249 PolarHBondContact O-N 2.95Å; E246-S250 WeakPolarHBondContact O-CB 3.43Å; E246-S250 PolarHBondContact O-N 3.3Å |
| 247 | L | 95.4 | Very high | 94.6 | Very high | 67 Ų | 67 | 87.5 Ų | 87.5 | 35% | 0.351 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 175 | -84.6 | 173.8 | 0 | 0 | 0 | 112.3 | Y243 S250 N251 | Y243-L247 HydrophobicContact CD1-CD1 3.8Å; Y243-L247 HydrophobicContact CD1-CG 4.45Å; Y243-L247 HydrophobicContact CD2-CD1 4.46Å; Y243-L247 HydrophobicContact CD2-CG 4.27Å; Y243-L247 HydrophobicContact CE1-CD1 3.33Å; Y243-L247 HydrophobicContact CE1-CG 4.07Å; Y243-L247 HydrophobicContact CE2-CD1 4.06Å; Y243-L247 HydrophobicContact CE2-CD2 4.24Å; Y243-L247 HydrophobicContact CE2-CG 3.84Å; Y243-L247 HydrophobicContact CG-CD1 4.34Å; Y243-L247 VanDerWaalsContact CZ-CD1 3.46Å; Y243-L247 VanDerWaalsContact O-CB 3.31Å; Y243-L247 WeakPolarHBondContact O-CB 3.31Å; Y243-L247 WeakPolarHBondContact O-CG 3.47Å; Y243-L247 PolarHBondContact O-N 3.12Å; L247-S250 PolarHBondContact O-N 3.02Å; L247-N251 WeakPolarHBondContact O-CB 3.39Å; L247-N251 PolarHBondContact O-N 3.49Å |
| 248 | R | 95.9 | Very high | 94.9 | Very high | 188 Ų | 188 | 87.6 Ų | 87.6 | 71% | 0.709 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.4 | -46.1 | 176.1 | -75.7 | 176.5 | 175 | -145.2 | -1.5 | 111.5 | I244 K245 E246 N251 M252 | I244-R248 WeakPolarHBondContact O-CB 3.47Å; I244-R248 VanDerWaalsContact O-CG 3.3Å; I244-R248 WeakPolarHBondContact O-CG 3.42Å; I244-R248 PolarHBondContact O-N 3.14Å; K245-R248 PolarHBondContact O-N 3.41Å; E246-R248 VanDerWaalsContact C-N 3.32Å; E246-R248 PolarHBondContact O-N 3.39Å; R248-N251 PolarHBondContact O-N 3.31Å; R248-M252 PolarHBondContact O-N 3Å |
| 249 | Q | 97.1 | Very high | 95.3 | Very high | 134 Ų | 134 | 87.6 Ų | 87.6 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 177.7 | -173.8 | 177.7 | 23.6 | 0 | 0 | 111.7 | K245 E246 M252 K253 | K245-Q249 WeakPolarHBondContact O-CB 3.43Å; K245-Q249 PolarHBondContact O-N 3.33Å; E246-Q249 PolarHBondContact O-N 2.95Å; Q249-M252 WeakPolarHBondContact O-CB 3.2Å; Q249-M252 PolarHBondContact O-N 3.45Å; Q249-K253 WeakPolarHBondContact O-CB 3.24Å; Q249-K253 PolarHBondContact O-N 3.42Å |
| 250 | S | 96.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 89.2 Ų | 89.2 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | E246 L247 M252 K253 L254 | E246-S250 WeakPolarHBondContact O-CB 3.43Å; E246-S250 PolarHBondContact O-N 3.3Å; L247-S250 PolarHBondContact O-N 3.02Å; S250-M252 VanDerWaalsContact C-N 3.34Å; S250-M252 PolarHBondContact O-N 3.47Å; S250-K253 PolarHBondContact O-N 2.87Å; S250-L254 WeakPolarHBondContact O-CB 3.46Å; S250-L254 VanDerWaalsContact O-CG 3.31Å; S250-L254 WeakPolarHBondContact O-CG 3.3Å; S250-L254 PolarHBondContact O-N 3.44Å |
| 251 | N | 95.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 94.2 Ų | 94.2 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 174.5 | -79.7 | -12.6 | 0 | 0 | 0 | 112.6 | L247 R248 L254 G255 | L247-N251 WeakPolarHBondContact O-CB 3.39Å; L247-N251 PolarHBondContact O-N 3.49Å; R248-N251 PolarHBondContact O-N 3.31Å; N251-L254 PolarHBondContact O-N 3.44Å; N251-G255 PolarHBondContact O-N 2.61Å |
| 252 | M | 96.3 | Very high | 96.2 | Very high | 119 Ų | 119 | 97 Ų | 97 | 59% | 0.586 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -47.9 | 175.3 | -171.2 | 177.6 | 77.3 | 0 | 0 | 110.9 | R248 Q249 S250 L254 G255 E256 | R248-M252 PolarHBondContact O-N 3Å; Q249-M252 WeakPolarHBondContact O-CB 3.2Å; Q249-M252 PolarHBondContact O-N 3.45Å; S250-M252 VanDerWaalsContact C-N 3.34Å; S250-M252 PolarHBondContact O-N 3.47Å; M252-L254 PolarHBondContact O-N 2.85Å; M252-G255 WeakPolarHBondContact O-CA 3.48Å; M252-G255 PolarHBondContact O-N 2.75Å; M252-G255 VanDerWaalsContact O-N 3.1Å; M252-E256 PolarHBondContact O-N 3.07Å |
| 253 | K | 97.3 | Very high | 96.5 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 176.3 | -174.9 | 179.4 | 178 | -178.4 | 0 | 112.5 | Q249 S250 G255 E256 D257 | Q249-K253 WeakPolarHBondContact O-CB 3.24Å; Q249-K253 PolarHBondContact O-N 3.42Å; S250-K253 PolarHBondContact O-N 2.87Å; K253-G255 VanDerWaalsContact C-N 3.26Å; K253-G255 PolarHBondContact O-N 3.35Å; K253-E256 WeakPolarHBondContact O-CB 3.36Å; K253-E256 PolarHBondContact O-N 2.84Å; K253-E256 VanDerWaalsContact O-N 3.15Å; K253-D257 PolarHBondContact O-N 2.86Å |
| 254 | L | 97.1 | Very high | 96.7 | Very high | 88 Ų | 88 | 103 Ų | 103 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 174.5 | -75.8 | 169.8 | 0 | 0 | 0 | 111.6 | S250 N251 M252 D257 I258 | S250-L254 WeakPolarHBondContact O-CB 3.46Å; S250-L254 VanDerWaalsContact O-CG 3.31Å; S250-L254 WeakPolarHBondContact O-CG 3.3Å; S250-L254 PolarHBondContact O-N 3.44Å; N251-L254 PolarHBondContact O-N 3.44Å; M252-L254 PolarHBondContact O-N 2.85Å; L254-D257 PolarHBondContact O-N 3.07Å; L254-I258 WeakPolarHBondContact O-CB 3.48Å; L254-I258 WeakPolarHBondContact O-CG1 3.46Å; L254-I258 PolarHBondContact O-N 2.98Å |
| 255 | G | 96.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 107.5 Ų | 107.5 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | N251 M252 K253 S259 | N251-G255 PolarHBondContact O-N 2.61Å; M252-G255 WeakPolarHBondContact O-CA 3.48Å; M252-G255 PolarHBondContact O-N 2.75Å; M252-G255 VanDerWaalsContact O-N 3.1Å; K253-G255 VanDerWaalsContact C-N 3.26Å; K253-G255 PolarHBondContact O-N 3.35Å; G255-S259 PolarHBondContact O-N 3.21Å; G255-S259 PolarHBondContact O-OG 3.35Å |
| 256 | E | 97.1 | Very high | 97 | Very high | 108 Ų | 108 | 105.7 Ų | 105.7 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 172.6 | -66.4 | 171.9 | 178.4 | 0 | 0 | 111.2 | M252 K253 I258 S259 V260 | M252-E256 PolarHBondContact O-N 3.07Å; K253-E256 WeakPolarHBondContact O-CB 3.36Å; K253-E256 PolarHBondContact O-N 2.84Å; K253-E256 VanDerWaalsContact O-N 3.15Å; E256-I258 VanDerWaalsContact C-N 3.33Å; E256-I258 PolarHBondContact O-N 2.95Å; E256-S259 WeakPolarHBondContact O-CB 3.49Å; E256-S259 PolarHBondContact O-N 3.44Å; E256-S259 VanDerWaalsContact O-N 3.09Å; E256-V260 WeakPolarHBondContact O-CG2 3.32Å; E256-V260 PolarHBondContact O-N 3.31Å |
| 257 | D | 97 | Very high | 97.2 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 178.8 | -72 | -21.6 | 0 | 0 | 0 | 111.4 | K253 L254 V260 L261 | K253-D257 PolarHBondContact O-N 2.86Å; L254-D257 PolarHBondContact O-N 3.07Å; D257-V260 PolarHBondContact O-N 2.99Å; D257-L261 WeakPolarHBondContact O-CB 3.47Å; D257-L261 VanDerWaalsContact O-CG 3.26Å; D257-L261 WeakPolarHBondContact O-CG 3.3Å; D257-L261 PolarHBondContact O-N 2.98Å |
| 258 | I | 97.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 104.5 Ų | 104.5 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 173.1 | -72.6 | 165.7 | 0 | 0 | 0 | 110.6 | L254 E256 V260 L261 E262 | L254-I258 WeakPolarHBondContact O-CB 3.48Å; L254-I258 WeakPolarHBondContact O-CG1 3.46Å; L254-I258 PolarHBondContact O-N 2.98Å; E256-I258 VanDerWaalsContact C-N 3.33Å; E256-I258 PolarHBondContact O-N 2.95Å; I258-V260 VanDerWaalsContact C-N 3.3Å; I258-V260 PolarHBondContact O-N 3.04Å; I258-L261 WeakPolarHBondContact O-CB 3.25Å; I258-L261 PolarHBondContact O-N 3.43Å; I258-L261 VanDerWaalsContact O-N 3.16Å; I258-E262 HydrophobicContact CG2-CG 4.47Å; I258-E262 WeakPolarHBondContact O-CG 3.49Å; I258-E262 PolarHBondContact O-N 2.91Å |
| 259 | S | 97.7 | Very high | 97.4 | Very high | 65 Ų | 65 | 101.7 Ų | 101.7 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 179 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | G255 E256 R263 | G255-S259 PolarHBondContact O-N 3.21Å; G255-S259 PolarHBondContact O-OG 3.35Å; E256-S259 WeakPolarHBondContact O-CB 3.49Å; E256-S259 PolarHBondContact O-N 3.44Å; E256-S259 VanDerWaalsContact O-N 3.09Å; S259-R263 PolarHBondContact O-N 3.4Å; S259-R263 VanDerWaalsContact O-N 3.1Å |
| 260 | V | 97.8 | Very high | 97.4 | Very high | 74 Ų | 74 | 100.4 Ų | 100.4 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | E256 D257 I258 E262 R263 L264 | E256-V260 WeakPolarHBondContact O-CG2 3.32Å; E256-V260 PolarHBondContact O-N 3.31Å; D257-V260 PolarHBondContact O-N 2.99Å; I258-V260 VanDerWaalsContact C-N 3.3Å; I258-V260 PolarHBondContact O-N 3.04Å; V260-E262 VanDerWaalsContact C-N 3.34Å; V260-E262 PolarHBondContact O-N 3.48Å; V260-R263 PolarHBondContact O-N 3.24Å; V260-L264 HydrophobicContact CG1-CD1 4.04Å; V260-L264 HydrophobicContact CG1-CG 4.42Å; V260-L264 WeakPolarHBondContact O-CG 3.29Å; V260-L264 PolarHBondContact O-N 3.41Å |
| 261 | L | 97.5 | Very high | 97.5 | Very high | 113 Ų | 113 | 103 Ų | 103 | 59% | 0.592 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -39.5 | 176.8 | -75.5 | 171.9 | 0 | 0 | 0 | 112.1 | D257 I258 L264 R265 | D257-L261 WeakPolarHBondContact O-CB 3.47Å; D257-L261 VanDerWaalsContact O-CG 3.26Å; D257-L261 WeakPolarHBondContact O-CG 3.3Å; D257-L261 PolarHBondContact O-N 2.98Å; I258-L261 WeakPolarHBondContact O-CB 3.25Å; I258-L261 PolarHBondContact O-N 3.43Å; I258-L261 VanDerWaalsContact O-N 3.16Å; L261-L264 PolarHBondContact O-N 2.89Å; L261-R265 VanDerWaalsContact O-CB 3.26Å; L261-R265 WeakPolarHBondContact O-CB 3.22Å; L261-R265 PolarHBondContact O-N 3.31Å |
| 262 | E | 97.9 | Very high | 97.6 | Very high | 120 Ų | 120 | 106.2 Ų | 106.2 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 174.7 | -76.2 | -179.9 | 171 | 0 | 0 | 111.7 | I258 V260 R265 V266 | I258-E262 HydrophobicContact CG2-CG 4.47Å; I258-E262 WeakPolarHBondContact O-CG 3.49Å; I258-E262 PolarHBondContact O-N 2.91Å; V260-E262 VanDerWaalsContact C-N 3.34Å; V260-E262 PolarHBondContact O-N 3.48Å; E262-R265 WeakPolarHBondContact O-CB 3.46Å; E262-R265 PolarHBondContact O-N 2.89Å; E262-V266 WeakPolarHBondContact O-CG2 3.4Å; E262-V266 PolarHBondContact O-N 2.95Å |
| 263 | R | 98.1 | Very high | 97.6 | Very high | 174 Ų | 174 | 106.8 Ų | 106.8 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.5 | -50.4 | 174.4 | -172.3 | -176.6 | -56.9 | -177.9 | 2.7 | 111.6 | S259 V260 R265 V266 D267 | S259-R263 PolarHBondContact O-N 3.4Å; S259-R263 VanDerWaalsContact O-N 3.1Å; V260-R263 PolarHBondContact O-N 3.24Å; R263-R265 PolarHBondContact O-N 3.04Å; R263-V266 PolarHBondContact O-N 2.73Å; R263-V266 VanDerWaalsContact O-N 3.12Å; R263-D267 PolarHBondContact O-N 2.65Å |
| 264 | L | 98 | Very high | 97.7 | Very high | 98 Ų | 98 | 104.8 Ų | 104.8 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -34.1 | 178 | -72.5 | 175 | 0 | 0 | 0 | 112.2 | V260 L261 N268 | V260-L264 HydrophobicContact CG1-CD1 4.04Å; V260-L264 HydrophobicContact CG1-CG 4.42Å; V260-L264 WeakPolarHBondContact O-CG 3.29Å; V260-L264 PolarHBondContact O-N 3.41Å; L261-L264 PolarHBondContact O-N 2.89Å; L264-N268 VanDerWaalsContact O-CB 3.3Å; L264-N268 WeakPolarHBondContact O-CB 3.42Å; L264-N268 PolarHBondContact O-N 3.33Å |
| 265 | R | 98 | Very high | 97.7 | Very high | 186 Ų | 186 | 104.4 Ų | 104.4 | 70% | 0.702 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 174.4 | 178.4 | -172.5 | 175.2 | 109.3 | 1.9 | 111.2 | L261 E262 R263 N268 Q269 | L261-R265 VanDerWaalsContact O-CB 3.26Å; L261-R265 WeakPolarHBondContact O-CB 3.22Å; L261-R265 PolarHBondContact O-N 3.31Å; E262-R265 WeakPolarHBondContact O-CB 3.46Å; E262-R265 PolarHBondContact O-N 2.89Å; R263-R265 PolarHBondContact O-N 3.04Å; R265-N268 PolarHBondContact O-N 3.23Å; R265-Q269 WeakPolarHBondContact O-CB 3.47Å; R265-Q269 PolarHBondContact O-N 3.45Å |
| 266 | V | 98 | Very high | 97.7 | Very high | 84 Ų | 84 | 109.1 Ų | 109.1 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | E262 R263 N268 Q269 L270 | E262-V266 WeakPolarHBondContact O-CG2 3.4Å; E262-V266 PolarHBondContact O-N 2.95Å; R263-V266 PolarHBondContact O-N 2.73Å; R263-V266 VanDerWaalsContact O-N 3.12Å; V266-N268 VanDerWaalsContact C-N 3.33Å; V266-N268 PolarHBondContact O-N 3.06Å; V266-Q269 WeakPolarHBondContact O-CB 3.48Å; V266-Q269 PolarHBondContact O-N 3.07Å; V266-Q269 VanDerWaalsContact O-N 3.15Å; V266-L270 PolarHBondContact O-N 3.39Å |
| 267 | D | 97.9 | Very high | 97.7 | Very high | 80 Ų | 80 | 107.1 Ų | 107.1 | 43% | 0.428 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 177.6 | -70.3 | -13.7 | 0 | 0 | 0 | 111.4 | R263 Q269 L270 L271 | R263-D267 PolarHBondContact O-N 2.65Å; D267-Q269 VanDerWaalsContact C-N 3.33Å; D267-Q269 PolarHBondContact O-N 2.99Å; D267-L270 PolarHBondContact O-N 2.91Å; D267-L271 WeakPolarHBondContact O-CB 3.35Å; D267-L271 WeakPolarHBondContact O-CG 3.36Å; D267-L271 PolarHBondContact O-N 3.25Å |
| 268 | N | 97.4 | Very high | 97.7 | Very high | 79 Ų | 79 | 110.2 Ų | 110.2 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 176.5 | -161.2 | -94.8 | 0 | 0 | 0 | 111.9 | L264 R265 V266 R272 | L264-N268 VanDerWaalsContact O-CB 3.3Å; L264-N268 WeakPolarHBondContact O-CB 3.42Å; L264-N268 PolarHBondContact O-N 3.33Å; R265-N268 PolarHBondContact O-N 3.23Å; V266-N268 VanDerWaalsContact C-N 3.33Å; V266-N268 PolarHBondContact O-N 3.06Å; N268-R272 VanDerWaalsContact O-CG 3.27Å; N268-R272 WeakPolarHBondContact O-CG 3.45Å; N268-R272 PolarHBondContact O-N 3.16Å; N268-R272 PolarHBondContact OD1-NE 2.97Å |
| 269 | Q | 97.9 | Very high | 97.7 | Very high | 130 Ų | 130 | 111.7 Ų | 111.7 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 175.8 | -176.3 | 176 | -6.9 | 0 | 0 | 111.5 | R265 V266 D267 R272 Q273 | R265-Q269 WeakPolarHBondContact O-CB 3.47Å; R265-Q269 PolarHBondContact O-N 3.45Å; V266-Q269 WeakPolarHBondContact O-CB 3.48Å; V266-Q269 PolarHBondContact O-N 3.07Å; V266-Q269 VanDerWaalsContact O-N 3.15Å; D267-Q269 VanDerWaalsContact C-N 3.33Å; D267-Q269 PolarHBondContact O-N 2.99Å; Q269-R272 PolarHBondContact O-N 2.87Å; Q269-Q273 PolarHBondContact O-N 2.96Å |
| 270 | L | 98 | Very high | 97.7 | Very high | 107 Ų | 107 | 111.6 Ų | 111.6 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | 178.5 | -168.4 | 146.1 | 0 | 0 | 0 | 111.6 | V266 D267 R272 Q273 E274 | V266-L270 PolarHBondContact O-N 3.39Å; D267-L270 PolarHBondContact O-N 2.91Å; L270-R272 VanDerWaalsContact C-N 3.31Å; L270-R272 PolarHBondContact O-N 3.03Å; L270-Q273 PolarHBondContact O-N 2.71Å; L270-E274 PolarHBondContact O-N 3.32Å |
| 271 | L | 97.8 | Very high | 97.6 | Very high | 109 Ų | 109 | 111.8 Ų | 111.8 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 174.5 | -73.4 | 171.3 | 0 | 0 | 0 | 112.1 | D267 E274 V275 | D267-L271 WeakPolarHBondContact O-CB 3.35Å; D267-L271 WeakPolarHBondContact O-CG 3.36Å; D267-L271 PolarHBondContact O-N 3.25Å; L271-E274 PolarHBondContact O-N 2.91Å; L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 3.35Å |
| 272 | R | 97.6 | Very high | 97.5 | Very high | 172 Ų | 172 | 110.3 Ų | 110.3 | 65% | 0.649 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 174.9 | -74.5 | 172.6 | -178.5 | -82.1 | -0.7 | 112.1 | N268 Q269 L270 E274 V275 E276 | N268-R272 VanDerWaalsContact O-CG 3.27Å; N268-R272 WeakPolarHBondContact O-CG 3.45Å; N268-R272 PolarHBondContact O-N 3.16Å; N268-R272 PolarHBondContact OD1-NE 2.97Å; Q269-R272 PolarHBondContact O-N 2.87Å; L270-R272 VanDerWaalsContact C-N 3.31Å; L270-R272 PolarHBondContact O-N 3.03Å; R272-E274 VanDerWaalsContact C-N 3.31Å; R272-E274 PolarHBondContact O-N 2.92Å; R272-V275 PolarHBondContact O-N 3.07Å; R272-E276 PolarHBondContact O-N 3.35Å |
| 273 | Q | 97.6 | Very high | 97.4 | Very high | 132 Ų | 132 | 109.4 Ų | 109.4 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -38.1 | 176.6 | -171.9 | 171.3 | 32.9 | 0 | 0 | 111.8 | Q269 L270 E276 N277 | Q269-Q273 PolarHBondContact O-N 2.96Å; L270-Q273 PolarHBondContact O-N 2.71Å; Q273-E276 PolarHBondContact O-N 2.95Å; Q273-N277 WeakPolarHBondContact O-CB 3.37Å; Q273-N277 PolarHBondContact O-N 3.44Å |
| 274 | E | 97.6 | Very high | 97.2 | Very high | 80 Ų | 80 | 106 Ų | 106 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 177 | -170.4 | 59.3 | -165.8 | 0 | 0 | 111.6 | L270 L271 R272 N277 W278 | L270-E274 PolarHBondContact O-N 3.32Å; L271-E274 PolarHBondContact O-N 2.91Å; R272-E274 VanDerWaalsContact C-N 3.31Å; R272-E274 PolarHBondContact O-N 2.92Å; E274-N277 WeakPolarHBondContact O-CB 3.23Å; E274-N277 PolarHBondContact O-N 2.94Å; E274-W278 PolarHBondContact O-N 3.02Å; E274-W278 PolarHBondContact OE1-NE1 2.92Å |
| 275 | V | 97.4 | Very high | 97 | Very high | 80 Ų | 80 | 106 Ų | 106 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 172.4 | 170 | 0 | 0 | 0 | 0 | 110.8 | L271 R272 N277 W278 E279 | L271-V275 WeakPolarHBondContact O-CG2 3.42Å; L271-V275 PolarHBondContact O-N 3.35Å; R272-V275 PolarHBondContact O-N 3.07Å; V275-N277 VanDerWaalsContact C-N 3.29Å; V275-N277 PolarHBondContact O-N 2.94Å; V275-W278 PolarHBondContact O-N 3.27Å; V275-E279 HydrophobicContact CG1-CG 4.31Å; V275-E279 WeakPolarHBondContact O-CB 3.39Å; V275-E279 WeakPolarHBondContact O-CG 3.33Å; V275-E279 PolarHBondContact O-N 3.33Å |
| 276 | E | 97.1 | Very high | 96.7 | Very high | 132 Ų | 132 | 105.2 Ų | 105.2 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.5 | -40 | 177.9 | -175.6 | -179.3 | -176.2 | 0 | 0 | 111.9 | R272 Q273 E279 S280 | R272-E276 PolarHBondContact O-N 3.35Å; Q273-E276 PolarHBondContact O-N 2.95Å; E276-E279 PolarHBondContact O-N 2.89Å; E276-S280 WeakPolarHBondContact O-CB 3.28Å; E276-S280 PolarHBondContact O-N 2.94Å |
| 277 | N | 97.6 | Very high | 96.5 | Very high | 66 Ų | 66 | 103.8 Ų | 103.8 | 35% | 0.353 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.2 | -170 | 5.8 | 0 | 0 | 0 | 111.6 | Q273 E274 V275 S280 K281 | Q273-N277 WeakPolarHBondContact O-CB 3.37Å; Q273-N277 PolarHBondContact O-N 3.44Å; E274-N277 WeakPolarHBondContact O-CB 3.23Å; E274-N277 PolarHBondContact O-N 2.94Å; V275-N277 VanDerWaalsContact C-N 3.29Å; V275-N277 PolarHBondContact O-N 2.94Å; N277-S280 PolarHBondContact O-N 3.29Å; N277-K281 PolarHBondContact ND2-NZ 3.48Å; N277-K281 WeakPolarHBondContact O-CB 3.49Å; N277-K281 VanDerWaalsContact O-CG 3.3Å; N277-K281 WeakPolarHBondContact O-CG 3.47Å; N277-K281 PolarHBondContact O-N 3.49Å; N277-K281 WeakPolarHBondContact OD1-CE 3.21Å; N277-K281 PolarHBondContact OD1-NZ 3.31Å |
| 278 | W | 97.5 | Very high | 96.2 | Very high | 139 Ų | 139 | 104 Ų | 104 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 175.8 | -77.1 | 113.9 | 0 | 0 | 0 | 112.8 | E274 V275 K281 N282 | E274-W278 PolarHBondContact O-N 3.02Å; E274-W278 PolarHBondContact OE1-NE1 2.92Å; V275-W278 PolarHBondContact O-N 3.27Å; W278-K281 HydrophobicContact CE3-CD 4Å; W278-K281 HydrophobicContact CZ3-CD 4.13Å; W278-N282 VanDerWaalsContact O-CB 3.28Å; W278-N282 WeakPolarHBondContact O-CB 3.34Å; W278-N282 PolarHBondContact O-N 2.98Å; W278-N282 PolarHBondContact O-ND2 3.43Å |
| 279 | E | 96.9 | Very high | 95.8 | Very high | 125 Ų | 125 | 103.3 Ų | 103.3 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -44.6 | 174.5 | -74.7 | -179.6 | 168.8 | 0 | 0 | 111.3 | V275 E276 N282 Q283 | V275-E279 HydrophobicContact CG1-CG 4.31Å; V275-E279 WeakPolarHBondContact O-CB 3.39Å; V275-E279 WeakPolarHBondContact O-CG 3.33Å; V275-E279 PolarHBondContact O-N 3.33Å; E276-E279 PolarHBondContact O-N 2.89Å; E279-N282 PolarHBondContact O-N 2.9Å; E279-Q283 VanDerWaalsContact O-CB 3.3Å; E279-Q283 WeakPolarHBondContact O-CB 3.49Å; E279-Q283 PolarHBondContact O-N 3.39Å |
| 280 | S | 97.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 104.6 Ų | 104.6 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 176 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | E276 N277 N282 Q283 I284 | E276-S280 WeakPolarHBondContact O-CB 3.28Å; E276-S280 PolarHBondContact O-N 2.94Å; N277-S280 PolarHBondContact O-N 3.29Å; S280-N282 PolarHBondContact O-N 3.16Å; S280-Q283 WeakPolarHBondContact O-CB 3.37Å; S280-Q283 PolarHBondContact O-N 3.4Å; S280-Q283 VanDerWaalsContact O-N 3.14Å; S280-I284 WeakPolarHBondContact O-CG1 3.3Å; S280-I284 PolarHBondContact O-N 3.28Å |
| 281 | K | 96.3 | Very high | 94.9 | Very high | 78 Ų | 78 | 106.8 Ų | 106.8 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 174.6 | -74.4 | 167.5 | -179.2 | 160.3 | 0 | 111.4 | N277 W278 Q283 I284 L285 | N277-K281 PolarHBondContact ND2-NZ 3.48Å; N277-K281 WeakPolarHBondContact O-CB 3.49Å; N277-K281 VanDerWaalsContact O-CG 3.3Å; N277-K281 WeakPolarHBondContact O-CG 3.47Å; N277-K281 PolarHBondContact O-N 3.49Å; N277-K281 WeakPolarHBondContact OD1-CE 3.21Å; N277-K281 PolarHBondContact OD1-NZ 3.31Å; W278-K281 HydrophobicContact CE3-CD 4Å; W278-K281 HydrophobicContact CZ3-CD 4.13Å; K281-Q283 VanDerWaalsContact C-N 3.3Å; K281-Q283 PolarHBondContact O-N 3.38Å; K281-I284 PolarHBondContact O-N 2.98Å; K281-L285 WeakPolarHBondContact O-CG 3.39Å; K281-L285 PolarHBondContact O-N 3.09Å |
| 282 | N | 94.9 | Very high | 94.4 | Very high | 83 Ų | 83 | 107.5 Ų | 107.5 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -41 | 176 | -86.4 | -50.3 | 0 | 0 | 0 | 111.7 | W278 E279 S280 L285 R286 | W278-N282 VanDerWaalsContact O-CB 3.28Å; W278-N282 WeakPolarHBondContact O-CB 3.34Å; W278-N282 PolarHBondContact O-N 2.98Å; W278-N282 PolarHBondContact O-ND2 3.43Å; E279-N282 PolarHBondContact O-N 2.9Å; S280-N282 PolarHBondContact O-N 3.16Å; N282-L285 PolarHBondContact O-N 3.43Å; N282-R286 WeakPolarHBondContact O-CB 3.47Å; N282-R286 VanDerWaalsContact O-CG 3.26Å; N282-R286 WeakPolarHBondContact O-CG 3.36Å; N282-R286 PolarHBondContact O-N 3Å |
| 283 | Q | 95.9 | Very high | 93.5 | Very high | 101 Ų | 101 | 102.2 Ų | 102.2 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 178 | -173.6 | 62.6 | 8.7 | 0 | 0 | 111.7 | E279 S280 K281 R286 N287 | E279-Q283 VanDerWaalsContact O-CB 3.3Å; E279-Q283 WeakPolarHBondContact O-CB 3.49Å; E279-Q283 PolarHBondContact O-N 3.39Å; S280-Q283 WeakPolarHBondContact O-CB 3.37Å; S280-Q283 PolarHBondContact O-N 3.4Å; S280-Q283 VanDerWaalsContact O-N 3.14Å; K281-Q283 VanDerWaalsContact C-N 3.3Å; K281-Q283 PolarHBondContact O-N 3.38Å; Q283-R286 PolarHBondContact O-N 2.75Å; Q283-N287 WeakPolarHBondContact O-CB 3.5Å; Q283-N287 PolarHBondContact O-N 2.83Å; Q283-N287 PolarHBondContact O-ND2 2.85Å; Q283-N287 VanDerWaalsContact O-ND2 3.11Å |
| 284 | I | 95.1 | Very high | 92.2 | Very high | 103 Ų | 103 | 101.5 Ų | 101.5 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 174.5 | -67.4 | 165.1 | 0 | 0 | 0 | 110.4 | S280 K281 R286 N287 L288 | S280-I284 WeakPolarHBondContact O-CG1 3.3Å; S280-I284 PolarHBondContact O-N 3.28Å; K281-I284 PolarHBondContact O-N 2.98Å; I284-R286 PolarHBondContact O-N 3.41Å; I284-N287 WeakPolarHBondContact O-CB 3.05Å; I284-N287 PolarHBondContact O-N 3.29Å; I284-L288 WeakPolarHBondContact O-CB 3.48Å; I284-L288 PolarHBondContact O-N 3.27Å |
| 285 | L | 93.4 | Very high | 90.4 | Very high | 98 Ų | 98 | 101.6 Ų | 101.6 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 178.1 | -71.1 | 172.2 | 0 | 0 | 0 | 111.6 | K281 N282 N287 L288 L289 | K281-L285 WeakPolarHBondContact O-CG 3.39Å; K281-L285 PolarHBondContact O-N 3.09Å; N282-L285 PolarHBondContact O-N 3.43Å; L285-N287 VanDerWaalsContact C-N 3.33Å; L285-N287 PolarHBondContact O-N 3.41Å; L285-L288 PolarHBondContact O-N 3.11Å; L285-L289 WeakPolarHBondContact O-CB 3.22Å; L285-L289 WeakPolarHBondContact O-CD1 3.32Å; L285-L289 WeakPolarHBondContact O-CG 3.39Å; L285-L289 PolarHBondContact O-N 3.17Å |
| 286 | R | 92.1 | Very high | 88.4 | Confident | 168 Ų | 168 | 101.2 Ų | 101.2 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 174.2 | -75.6 | 176.3 | 177.8 | -164.3 | -0.8 | 111.7 | N282 Q283 I284 R290 | N282-R286 WeakPolarHBondContact O-CB 3.47Å; N282-R286 VanDerWaalsContact O-CG 3.26Å; N282-R286 WeakPolarHBondContact O-CG 3.36Å; N282-R286 PolarHBondContact O-N 3Å; Q283-R286 PolarHBondContact O-N 2.75Å; I284-R286 PolarHBondContact O-N 3.41Å; R286-R290 WeakPolarHBondContact O-CB 3.34Å; R286-R290 PolarHBondContact O-N 2.85Å |
| 287 | N | 91.9 | Very high | 86.2 | Confident | 54 Ų | 54 | 100.3 Ų | 100.3 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 175.6 | -79.5 | -40.4 | 0 | 0 | 0 | 112 | Q283 I284 L285 R290 Q291 | Q283-N287 WeakPolarHBondContact O-CB 3.5Å; Q283-N287 PolarHBondContact O-N 2.83Å; Q283-N287 PolarHBondContact O-ND2 2.85Å; Q283-N287 VanDerWaalsContact O-ND2 3.11Å; I284-N287 WeakPolarHBondContact O-CB 3.05Å; I284-N287 PolarHBondContact O-N 3.29Å; L285-N287 VanDerWaalsContact C-N 3.33Å; L285-N287 PolarHBondContact O-N 3.41Å; N287-R290 PolarHBondContact O-N 3.27Å; N287-R290 PolarHBondContact OD1-NH1 2.64Å; N287-Q291 WeakPolarHBondContact O-CG 3.34Å; N287-Q291 PolarHBondContact O-N 2.88Å |
| 288 | L | 91.9 | Very high | 83.8 | Confident | 84 Ų | 84 | 102 Ų | 102 | 44% | 0.44 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 178.2 | -161.7 | 100.4 | 0 | 0 | 0 | 111.2 | I284 L285 R290 Q291 H292 | I284-L288 WeakPolarHBondContact O-CB 3.48Å; I284-L288 PolarHBondContact O-N 3.27Å; L285-L288 PolarHBondContact O-N 3.11Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 2.71Å; L288-Q291 PolarHBondContact O-N 2.91Å; L288-H292 PolarHBondContact O-CD2 2.91Å; L288-H292 PolarHBondContact O-N 3.29Å |
| 289 | L | 90.3 | Very high | 81.6 | Confident | 65 Ų | 65 | 100.7 Ų | 100.7 | 34% | 0.34 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.7 | -38.5 | 174.5 | -78.7 | 161.8 | 0 | 0 | 0 | 112.2 | L285 G293 I294 V295 | L285-L289 WeakPolarHBondContact O-CB 3.22Å; L285-L289 WeakPolarHBondContact O-CD1 3.32Å; L285-L289 WeakPolarHBondContact O-CG 3.39Å; L285-L289 PolarHBondContact O-N 3.17Å; L289-G293 PolarHBondContact O-N 3.31Å; L289-I294 HydrophobicContact CD2-CB 4.02Å; L289-I294 HydrophobicContact CD2-CD1 4.21Å; L289-I294 HydrophobicContact CD2-CG2 3.87Å; L289-I294 PolarHBondContact O-N 3.06Å; L289-V295 HydrophobicContact CB-CB 4.49Å; L289-V295 HydrophobicContact CB-CG2 3.72Å; L289-V295 HydrophobicContact CD1-CG2 4.39Å; L289-V295 HydrophobicContact CD2-CG2 4.49Å; L289-V295 HydrophobicContact CG-CG2 4.43Å; L289-V295 PolarHBondContact O-N 2.78Å |
| 290 | R | 88 | Confident | 79.3 | Confident | 158 Ų | 158 | 99.9 Ų | 99.9 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.6 | -40.9 | 175.6 | -152.8 | -178.8 | 85.6 | -106.5 | 3.2 | 111.8 | R286 N287 L288 G293 | R286-R290 WeakPolarHBondContact O-CB 3.34Å; R286-R290 PolarHBondContact O-N 2.85Å; N287-R290 PolarHBondContact O-N 3.27Å; N287-R290 PolarHBondContact OD1-NH1 2.64Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 2.71Å; R290-G293 PolarHBondContact O-N 2.72Å; R290-G293 VanDerWaalsContact O-N 3.15Å |
| 291 | Q | 87.5 | Confident | 76.7 | Confident | 152 Ų | 152 | 104.8 Ų | 104.8 | 71% | 0.71 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.3 | -40 | 176.2 | -76.8 | 178.1 | -1.4 | 0 | 0 | 112.2 | N287 L288 G293 | N287-Q291 WeakPolarHBondContact O-CG 3.34Å; N287-Q291 PolarHBondContact O-N 2.88Å; L288-Q291 PolarHBondContact O-N 2.91Å; Q291-G293 PolarHBondContact O-N 3.47Å |
| 292 | H | 87.4 | Confident | 74.7 | Confident | 124 Ų | 124 | 107 Ų | 107 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 4.9 | 175.8 | -70.2 | -63.9 | 0 | 0 | 0 | 113.9 | L288 I294 | L288-H292 PolarHBondContact O-CD2 2.91Å; L288-H292 PolarHBondContact O-N 3.29Å; H292-I294 HydrophobicContact CB-CD1 3.91Å; H292-I294 HydrophobicContact CB-CG1 4.03Å; H292-I294 PolarHBondContact O-N 3.36Å |
| 293 | G | 79.8 | Confident | 72.1 | Confident | 61 Ų | 61 | 115.7 Ų | 115.7 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.2 | 15 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L289 R290 Q291 | L289-G293 PolarHBondContact O-N 3.31Å; R290-G293 PolarHBondContact O-N 2.72Å; R290-G293 VanDerWaalsContact O-N 3.15Å; Q291-G293 PolarHBondContact O-N 3.47Å |
| 294 | I | 70.8 | Confident | 70.9 | Confident | 118 Ų | 118 | 116.4 Ų | 116.4 | 61% | 0.605 | 65% | 0.653 | S | S | * | * | trans | -81.5 | -26.7 | -176.7 | -58.5 | 173 | 0 | 0 | 0 | 110.8 | L289 H292 | L289-I294 HydrophobicContact CD2-CB 4.02Å; L289-I294 HydrophobicContact CD2-CD1 4.21Å; L289-I294 HydrophobicContact CD2-CG2 3.87Å; L289-I294 PolarHBondContact O-N 3.06Å; H292-I294 HydrophobicContact CB-CD1 3.91Å; H292-I294 HydrophobicContact CB-CG1 4.03Å; H292-I294 PolarHBondContact O-N 3.36Å | ||
| 295 | V | 59.8 | Low | 69.6 | Low | 82 Ų | 82 | 117.1 Ų | 117.1 | 50% | 0.497 | 66% | 0.66 | S | S | . | * | trans | -109.3 | 85.9 | 178.1 | 179 | 0 | 0 | 0 | 0 | 109.5 | L289 | L289-V295 HydrophobicContact CB-CB 4.49Å; L289-V295 HydrophobicContact CB-CG2 3.72Å; L289-V295 HydrophobicContact CD1-CG2 4.39Å; L289-V295 HydrophobicContact CD2-CG2 4.49Å; L289-V295 HydrophobicContact CG-CG2 4.43Å; L289-V295 PolarHBondContact O-N 2.78Å | ||
| 296 | G | 54.5 | Low | 68.3 | Low | 71 Ų | 71 | 118.2 Ų | 118.2 | 73% | 0.732 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -142.7 | 32.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 297 | S | 51.1 | Low | 66.9 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 177.5 | 74.6 | 168.6 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 298 | S | 47.5 | Very low | 65.3 | Low | 102 Ų | 102 | 119.1 Ų | 119.1 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | trans | -163.3 | 92.5 | 151.9 | 43.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 299 | S | 51.1 | Low | 63.5 | Low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | 19.8 | 115.7 | 136.7 | 58.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 300 | S | 48.6 | Very low | 61.6 | Low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | 148.2 | 105.6 | 101.3 | 51 | 0 | 0 | 0 | 0 | 110 | P302 | S300-P302 WeakPolarHBondContact O-CD 3.36Š| |||
| 301 | D | 42.6 | Very low | 59.6 | Low | 166 Ų | 166 | 122.9 Ų | 122.9 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -62.8 | 129.1 | 153 | -81.2 | -50.3 | 0 | 0 | 0 | 108.4 | ||||
| 302 | P | 55.1 | Low | 57.3 | Low | 124 Ų | 124 | 120.5 Ų | 120.5 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | -97 | 116.6 | 153.2 | 29.5 | -15.6 | 0 | 0 | 0 | 108.4 | S300 | S300-P302 WeakPolarHBondContact O-CD 3.36Š| ||
| 303 | Q | 39 | Very low | 54.5 | Low | 265 Ų | 265 | 120.2 Ų | 120.2 | 100% | 1.238 | 77% | 0.767 | S | S | * | * | trans | -67.3 | 0 | 167.8 | -159.4 | -172 | -22.8 | 0 | 0 | 111.4 |
Retrieved 303 of 303 residues in 157.9 ms
(Link to these results)