| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.6 | Very low | 31.6 | Very low | 222 Ų | 222 | 132 Ų | 132 | 100% | 1.094 | 74% | 0.744 | S | S | * | * | 0 | 116.3 | 0 | -72.5 | 166.2 | 148.3 | 0 | 0 | 108.4 | |||||
| 2 | L | 36.3 | Very low | 31.2 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | cis | -116 | 120.7 | -34.8 | -72.7 | 168 | 0 | 0 | 0 | 104.8 | ||||
| 3 | V | 31.2 | Very low | 31.2 | Very low | 111 Ų | 111 | 133 Ų | 133 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | cis | 66.7 | 120.6 | 47.4 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | S | 29.9 | Very low | 31.1 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 52% | 0.524 | 75% | 0.75 | S | S | . | * | cis | -170.6 | 176.5 | -14.8 | 48.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 5 | D | 31 | Very low | 31 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 64.3 | 171 | 155.2 | -45.5 | -37.5 | 0 | 0 | 0 | 116 | ||||
| 6 | V | 35.8 | Very low | 31 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | cis | -144.1 | 146.3 | -1.5 | 90.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 7 | D | 30 | Very low | 31.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | 13.4 | 157.5 | 132.4 | -64.1 | -55.9 | 0 | 0 | 0 | 121.3 | ||||
| 8 | Q | 30.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | cis | -163.6 | -170.4 | 3.8 | -120.4 | 153.3 | 38.8 | 0 | 0 | 109.6 | ||||
| 9 | N | 33.1 | Very low | 30.9 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 75.7 | 115.3 | 168.6 | -54 | -33.2 | 0 | 0 | 0 | 114.7 | ||||
| 10 | A | 27.7 | Very low | 30.9 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | cis | 55.7 | 124.7 | 18.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 11 | V | 31.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | -163.1 | 148.5 | 66.2 | 152.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 12 | S | 27.3 | Very low | 30.7 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | 24.2 | 128.3 | 158.2 | -55.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 13 | L | 30.4 | Very low | 30.4 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 94% | 0.937 | 76% | 0.756 | S | S | * | * | trans | -144.9 | 90.6 | 133.4 | -111.5 | 176.5 | 0 | 0 | 0 | 111 | ||||
| 14 | T | 29.7 | Very low | 30.3 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -96.5 | 140.6 | 170 | 47.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 15 | T | 30 | Very low | 30.3 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | 71 | 110.8 | 164.1 | -48.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 16 | L | 31.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | -162.3 | 112.5 | 123.1 | -106.5 | 169 | 0 | 0 | 0 | 112.9 | |||||
| 17 | Q | 32 | Very low | 29.9 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | 39.4 | 115.2 | 148.8 | -69 | 174 | 7.7 | 0 | 0 | 121 | K19 | Q17-K19 PolarHBondContact O-N 3.44Š| ||
| 18 | T | 28 | Very low | 29.9 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -57.6 | 125.9 | 159.1 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 19 | K | 31.1 | Very low | 29.8 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -155 | 165.6 | 148.8 | -104.4 | 160.2 | -173.2 | 178.1 | 0 | 108.5 | Q17 | Q17-K19 PolarHBondContact O-N 3.44Š| ||
| 20 | D | 31.1 | Very low | 29.6 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | 58.5 | 70.4 | 169.8 | -50.4 | -26.6 | 0 | 0 | 0 | 116.9 | ||||
| 21 | I | 29.9 | Very low | 29.5 | Very low | 161 Ų | 161 | 142 Ų | 142 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -112.7 | 79.8 | 159.8 | -54.8 | -180 | 0 | 0 | 0 | 108.8 | ||||
| 22 | M | 27.9 | Very low | 29.4 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -143 | 23 | 172.7 | -89.6 | -160.4 | 171 | 0 | 0 | 114.3 | ||
| 23 | S | 29.3 | Very low | 29.5 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -161.7 | 77.2 | 176.4 | 47.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 24 | L | 29.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | -129.9 | 104.2 | 161.2 | -77.7 | 178.4 | 0 | 0 | 0 | 111.1 | ||||
| 25 | Q | 28.6 | Very low | 29.8 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -68 | 131.9 | 163 | -66.9 | 158.2 | -105.8 | 0 | 0 | 108.8 | S27 | Q25-S27 PolarHBondContact O-N 2.68Š| ||
| 26 | L | 28.8 | Very low | 29.9 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -98.8 | 68.4 | 165.4 | -163.6 | 72.8 | 0 | 0 | 0 | 110.1 | T28 | L26-T28 PolarHBondContact O-N 3.35Š| ||
| 27 | S | 30.1 | Very low | 30 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | -81.3 | 84.6 | 170.8 | 53.8 | 0 | 0 | 0 | 0 | 110 | Q25 | Q25-S27 PolarHBondContact O-N 2.68Š| ||
| 28 | T | 29.2 | Very low | 30 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126.5 | 164.1 | 48.9 | 0 | 0 | 0 | 0 | 108.8 | L26 Q30 | L26-T28 PolarHBondContact O-N 3.35Å; T28-Q30 PolarHBondContact O-N 2.99Å; T28-Q30 VanDerWaalsContact O-N 3.16Å |
| 29 | P | 28.2 | Very low | 30.1 | Very low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.9 | 176.3 | 27 | -33 | 0 | 0 | 0 | 109.4 | ||
| 30 | Q | 29.6 | Very low | 30.2 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -76 | 129.8 | 169.7 | -70.2 | -176.9 | -18.8 | 0 | 0 | 108.7 | T28 V32 | T28-Q30 PolarHBondContact O-N 2.99Å; T28-Q30 VanDerWaalsContact O-N 3.16Å; Q30-V32 PolarHBondContact O-N 3.21Å; Q30-V32 VanDerWaalsContact O-N 3.1Å |
| 31 | T | 26 | Very low | 30.3 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -66.9 | 107.4 | 173.8 | -52.3 | 0 | 0 | 0 | 0 | 109.3 | T33 | T31-T33 PolarHBondContact O-N 2.78Š| ||
| 32 | V | 29.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -81 | 94.5 | 173 | -178 | 0 | 0 | 0 | 0 | 108.3 | Q30 T34 | Q30-V32 PolarHBondContact O-N 3.21Å; Q30-V32 VanDerWaalsContact O-N 3.1Å; V32-T34 VanDerWaalsContact C-N 3.28Å; V32-T34 PolarHBondContact O-N 2.79Å | ||
| 33 | T | 29.2 | Very low | 30.9 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 58% | 0.577 | 75% | 0.747 | S | S | * | * | trans | -80.7 | 73.4 | 179.6 | -43.8 | 0 | 0 | 0 | 0 | 111 | T31 F35 | T31-T33 PolarHBondContact O-N 2.78Å; T33-F35 HydrophobicContact CG2-CD2 3.91Å; T33-F35 HydrophobicContact CG2-CE2 3.42Å; T33-F35 VanDerWaalsContact CG2-CE2 3.42Å; T33-F35 HydrophobicContact CG2-CZ 3.78Å; T33-F35 PolarHBondContact O-N 3.48Å | ||
| 34 | T | 30.9 | Very low | 31.1 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -77.6 | 104.7 | 170.3 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | V32 T36 | V32-T34 VanDerWaalsContact C-N 3.28Å; V32-T34 PolarHBondContact O-N 2.79Å; T34-T36 PolarHBondContact O-N 2.94Å | ||
| 35 | F | 34.3 | Very low | 31.2 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 75% | 0.746 | 74% | 0.741 | S | S | * | * | trans | -80.4 | 100.6 | 171.4 | -77.8 | -73.2 | 0 | 0 | 0 | 111 | T33 | T33-F35 HydrophobicContact CG2-CD2 3.91Å; T33-F35 HydrophobicContact CG2-CE2 3.42Å; T33-F35 VanDerWaalsContact CG2-CE2 3.42Å; T33-F35 HydrophobicContact CG2-CZ 3.78Å; T33-F35 PolarHBondContact O-N 3.48Å | ||
| 36 | T | 32.1 | Very low | 31.4 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -105.3 | 104.7 | 167 | -52.9 | 0 | 0 | 0 | 0 | 108.4 | T34 P38 | T34-T36 PolarHBondContact O-N 2.94Å; T36-P38 WeakPolarHBondContact O-CD 3.45Å | ||
| 37 | I | 33.5 | Very low | 31.4 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 55% | 0.554 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 123.5 | -175.8 | -55.5 | 176.8 | 0 | 0 | 0 | 110.2 | ||
| 38 | P | 31.7 | Very low | 31.8 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -82 | 132 | 169.7 | 32.9 | -31.9 | 0 | 0 | 0 | 110.8 | T36 | T36-P38 WeakPolarHBondContact O-CD 3.45Š|
| 39 | T | 30 | Very low | 32 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 122.8 | 179.2 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 40 | T | 34.5 | Very low | 32.4 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | trans | -131.4 | 146.4 | 162.7 | 41 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 41 | T | 33.9 | Very low | 32.7 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | -98.2 | 152.2 | -162.8 | 19.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 42 | E | 33.8 | Very low | 33 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 53.8 | 120.3 | 147.3 | -64.4 | 174.5 | 178.7 | 0 | 0 | 120.4 | ||||
| 43 | S | 35.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | 179.3 | 125.4 | 108.2 | -79.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 44 | A | 33.9 | Very low | 33.3 | Very low | 84 Ų | 84 | 131.8 Ų | 131.8 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | 57.5 | 111.1 | 136.9 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 45 | M | 31.2 | Very low | 33.4 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | 93.4 | 127.2 | 117.4 | -69.9 | 174.3 | 64.3 | 0 | 0 | 124.5 | |||||
| 46 | S | 33.6 | Very low | 33.3 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | 77.5 | 94 | 135.1 | 60.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 47 | T | 29.6 | Very low | 33.6 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | 45.7 | 120.7 | 119.8 | 58.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 48 | S | 37.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | -168.8 | 161.6 | 116 | 25.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 49 | S | 33.2 | Very low | 34 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -101.1 | 155.1 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 50 | D | 36.3 | Very low | 34.3 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | 178.2 | 129.4 | 113.2 | -87.1 | -4.2 | 0 | 0 | 0 | 115 | |||||
| 51 | I | 35.7 | Very low | 34.7 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 29.9 | 106.6 | 138.3 | -44.5 | 173.2 | 0 | 0 | 0 | 119.1 | ||||
| 52 | L | 32.8 | Very low | 35.1 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | -168.8 | 158.6 | 124.5 | -140.6 | 63.4 | 0 | 0 | 0 | 114.8 | |||||
| 53 | G | 32.6 | Very low | 35.5 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 87.7 | 98 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | Q55 | G53-Q55 PolarHBondContact O-N 2.78Š| ||
| 54 | K | 32.9 | Very low | 36.6 | Very low | 211 Ų | 211 | 122.6 Ų | 122.6 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | trans | -80.1 | 105.4 | 164.7 | -69.3 | 175.8 | 176.8 | 176.4 | 0 | 111.5 | ||||
| 55 | Q | 32.7 | Very low | 38.1 | Very low | 193 Ų | 193 | 119.2 Ų | 119.2 | 90% | 0.902 | 68% | 0.679 | S | S | * | * | trans | -170 | 72.6 | 151.5 | -114.2 | 171.7 | 8 | 0 | 0 | 113 | G53 | G53-Q55 PolarHBondContact O-N 2.78Š| ||
| 56 | E | 32.1 | Very low | 39.8 | Very low | 171 Ų | 171 | 114.9 Ų | 114.9 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | trans | -147.7 | 155.7 | -177.7 | -78.7 | -150.2 | 114.5 | 0 | 0 | 111.8 | ||||
| 57 | N | 39.2 | Very low | 41.6 | Very low | 87 Ų | 87 | 117 Ų | 117 | 47% | 0.465 | 66% | 0.657 | S | S | . | * | cis | -162.5 | 130.1 | -33.9 | -145.3 | -29.6 | 0 | 0 | 0 | 105.6 | N59 A60 | N57-N59 PolarHBondContact O-N 3.48Å; N57-N59 VanDerWaalsContact O-N 3.12Å; N57-A60 HydrophobicContact CB-CB 3.94Å; N57-A60 WeakPolarHBondContact O-CB 3.45Å; N57-A60 PolarHBondContact O-N 2.84Å | ||
| 58 | Q | 39.1 | Very low | 43.8 | Very low | 184 Ų | 184 | 112.2 Ų | 112.2 | 86% | 0.86 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.4 | -21.7 | -179.7 | -71.8 | -174.6 | -0.8 | 0 | 0 | 112.2 | ||
| 59 | N | 35.6 | Very low | 45.5 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -82.9 | -14 | 177.3 | -54.5 | -18 | 0 | 0 | 0 | 113.8 | N57 S62 | N57-N59 PolarHBondContact O-N 3.48Å; N57-N59 VanDerWaalsContact O-N 3.12Å; N59-S62 WeakPolarHBondContact CA-OG 3.39Å; N59-S62 PolarHBondContact O-OG 3.24Å |
| 60 | A | 34.9 | Very low | 47.5 | Very low | 44 Ų | 44 | 104.4 Ų | 104.4 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.1 | -39.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N57 S62 L63 S64 | N57-A60 HydrophobicContact CB-CB 3.94Å; N57-A60 WeakPolarHBondContact O-CB 3.45Å; N57-A60 PolarHBondContact O-N 2.84Å; A60-S62 VanDerWaalsContact C-N 3.28Å; A60-S62 PolarHBondContact O-N 2.89Å; A60-L63 PolarHBondContact O-N 3.45Å; A60-S64 PolarHBondContact O-N 2.95Å |
| 61 | A | 43.9 | Very low | 49.4 | Very low | 73 Ų | 73 | 101.5 Ų | 101.5 | 60% | 0.603 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.7 | -35.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A65 | A61-A65 PolarHBondContact O-N 3.48Å |
| 62 | S | 42 | Very low | 51.4 | Low | 74 Ų | 74 | 95 Ų | 95 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.9 | -26.8 | 176.5 | 40.2 | 0 | 0 | 0 | 0 | 114.2 | N59 A60 | N59-S62 WeakPolarHBondContact CA-OG 3.39Å; N59-S62 PolarHBondContact O-OG 3.24Å; A60-S62 VanDerWaalsContact C-N 3.28Å; A60-S62 PolarHBondContact O-N 2.89Å |
| 63 | L | 42.4 | Very low | 53.5 | Low | 121 Ų | 121 | 88.8 Ų | 88.8 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -75.4 | -48 | 175.2 | -70 | 167.5 | 0 | 0 | 0 | 110.6 | A60 A65 E66 E67 | A60-L63 PolarHBondContact O-N 3.45Å; L63-A65 PolarHBondContact O-N 2.89Å; L63-E66 PolarHBondContact O-N 2.82Å; L63-E67 PolarHBondContact O-N 3.29Å |
| 64 | S | 58.8 | Low | 55.5 | Low | 73 Ų | 73 | 91.5 Ų | 91.5 | 51% | 0.51 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -31.7 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | A60 A68 | A60-S64 PolarHBondContact O-N 2.95Å; S64-A68 WeakPolarHBondContact O-CB 3.32Å; S64-A68 PolarHBondContact O-N 3.16Å |
| 65 | A | 64.1 | Low | 57.8 | Low | 14 Ų | 14 | 87.6 Ų | 87.6 | 12% | 0.116 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.6 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | A61 L63 I69 F116 | A61-A65 PolarHBondContact O-N 3.48Å; L63-A65 PolarHBondContact O-N 2.89Å; A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 VanDerWaalsContact O-CG1 3.31Å; A65-I69 WeakPolarHBondContact O-CG1 3.29Å; A65-I69 PolarHBondContact O-N 2.81Å; A65-I69 VanDerWaalsContact O-N 3.17Å; A65-F116 HydrophobicContact CB-CD2 4.15Å; A65-F116 HydrophobicContact CB-CE2 4.3Å |
| 66 | E | 67.9 | Low | 59.9 | Low | 81 Ų | 81 | 79.5 Ų | 79.5 | 38% | 0.379 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -76.4 | -36.6 | 179 | -158 | 74.2 | 166 | 0 | 0 | 110.9 | L63 I69 V70 R87 | L63-E66 PolarHBondContact O-N 2.82Å; E66-I69 PolarHBondContact O-N 2.96Å; E66-V70 WeakPolarHBondContact O-CG2 3.46Å; E66-V70 PolarHBondContact O-N 3.31Å; E66-R87 IonicContact OE2-NH2 3.25Å; E66-R87 PolarHBondContact OE2-NH2 3.42Å |
| 67 | E | 71.7 | Confident | 62 | Low | 138 Ų | 138 | 78.9 Ų | 78.9 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 171.2 | -68.7 | 178.4 | 167.5 | 0 | 0 | 112.2 | L63 I69 V70 S71 | L63-E67 PolarHBondContact O-N 3.29Å; E67-I69 VanDerWaalsContact C-N 3.31Å; E67-I69 PolarHBondContact O-N 3.09Å; E67-V70 PolarHBondContact O-N 2.96Å; E67-S71 PolarHBondContact O-N 2.94Å |
| 68 | A | 74.7 | Confident | 63.9 | Low | 33 Ų | 33 | 77.2 Ų | 77.2 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S64 S71 L72 D118 | S64-A68 WeakPolarHBondContact O-CB 3.32Å; S64-A68 PolarHBondContact O-N 3.16Å; A68-S71 PolarHBondContact O-N 3.26Å; A68-L72 WeakPolarHBondContact O-CB 3.49Å; A68-L72 PolarHBondContact O-N 3.49Å; A68-D118 HydrophobicContact CB-CB 3.8Å |
| 69 | I | 73.8 | Confident | 65.8 | Low | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 175.6 | -71.4 | 168.6 | 0 | 0 | 0 | 111.5 | A65 E66 E67 L72 L73 F116 E117 D118 | A65-I69 WeakPolarHBondContact O-CD1 3.41Å; A65-I69 VanDerWaalsContact O-CG1 3.31Å; A65-I69 WeakPolarHBondContact O-CG1 3.29Å; A65-I69 PolarHBondContact O-N 2.81Å; A65-I69 VanDerWaalsContact O-N 3.17Å; E66-I69 PolarHBondContact O-N 2.96Å; E67-I69 VanDerWaalsContact C-N 3.31Å; E67-I69 PolarHBondContact O-N 3.09Å; I69-L72 PolarHBondContact O-N 3.24Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.37Å; I69-L73 WeakPolarHBondContact O-CB 3.43Å; I69-L73 VanDerWaalsContact O-CG 3.23Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 2.91Å; I69-F116 HydrophobicContact CD1-CB 4.44Å; I69-E117 HydrophobicContact CG1-CB 4.48Å; I69-D118 HydrophobicContact CG1-CB 4.32Å |
| 70 | V | 75 | Confident | 67.9 | Low | 58 Ų | 58 | 69.1 Ų | 69.1 | 35% | 0.352 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 171.8 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | E66 E67 L72 L73 E74 | E66-V70 WeakPolarHBondContact O-CG2 3.46Å; E66-V70 PolarHBondContact O-N 3.31Å; E67-V70 PolarHBondContact O-N 2.96Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.78Å; V70-L73 PolarHBondContact O-N 2.84Å; V70-L73 VanDerWaalsContact O-N 3.11Å; V70-E74 HydrophobicContact CG1-CG 4.4Å; V70-E74 WeakPolarHBondContact O-CG 3.26Å; V70-E74 PolarHBondContact O-N 3.24Å |
| 71 | S | 76 | Confident | 70.2 | Confident | 73 Ų | 73 | 69.5 Ų | 69.5 | 51% | 0.51 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 177 | -171.5 | 0 | 0 | 0 | 0 | 112.9 | E67 A68 R75 | E67-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-N 3.26Å; S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 PolarHBondContact O-N 3Å |
| 72 | L | 76.7 | Confident | 72 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.9 | -179.3 | 63.3 | 0 | 0 | 0 | 111.9 | A68 I69 V70 R75 T76 Y89 I121 | A68-L72 WeakPolarHBondContact O-CB 3.49Å; A68-L72 PolarHBondContact O-N 3.49Å; I69-L72 PolarHBondContact O-N 3.24Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.78Å; L72-R75 PolarHBondContact O-N 3.08Å; L72-T76 HydrophobicContact CD1-CG2 3.96Å; L72-T76 WeakPolarHBondContact O-CG2 3.31Å; L72-T76 PolarHBondContact O-N 2.9Å; L72-T76 PolarHBondContact O-OG1 2.96Å; L72-Y89 HydrophobicContact CD2-CE2 4.31Å; L72-Y89 HydrophobicContact CG-CE2 4.34Å; L72-I121 HydrophobicContact CD1-CG2 4.36Å; L72-I121 HydrophobicContact CD2-CB 4.09Å; L72-I121 HydrophobicContact CD2-CD1 3.8Å; L72-I121 HydrophobicContact CD2-CG2 4.3Å |
| 73 | L | 77.3 | Confident | 73.7 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.8 | -34.7 | 180 | -66.8 | 168.5 | 0 | 0 | 0 | 112.5 | I69 V70 K77 Y78 Y80 Y89 | I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.37Å; I69-L73 WeakPolarHBondContact O-CB 3.43Å; I69-L73 VanDerWaalsContact O-CG 3.23Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 2.91Å; V70-L73 PolarHBondContact O-N 2.84Å; V70-L73 VanDerWaalsContact O-N 3.11Å; L73-K77 VanDerWaalsContact O-CA 3.28Å; L73-K77 WeakPolarHBondContact O-CA 3.47Å; L73-K77 PolarHBondContact O-N 2.91Å; L73-Y78 WeakPolarHBondContact CD2-O 3.31Å; L73-Y80 HydrophobicContact CD1-CD1 4.37Å; L73-Y80 HydrophobicContact CD1-CG 4.07Å; L73-Y89 HydrophobicContact CD2-CD2 3.99Å; L73-Y89 HydrophobicContact CD2-CE2 4.11Å |
| 74 | E | 75.3 | Confident | 75.2 | Confident | 127 Ų | 127 | 72.7 Ų | 72.7 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 170.6 | -72.7 | 179.7 | 169.5 | 0 | 0 | 111.7 | V70 | V70-E74 HydrophobicContact CG1-CG 4.4Å; V70-E74 WeakPolarHBondContact O-CG 3.26Å; V70-E74 PolarHBondContact O-N 3.24Å |
| 75 | R | 80.5 | Confident | 76.1 | Confident | 129 Ų | 129 | 70.2 Ų | 70.2 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.1 | 179 | 178.2 | 71.5 | 90.8 | -9.2 | 112.1 | S71 L72 E125 | S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 PolarHBondContact O-N 3Å; L72-R75 PolarHBondContact O-N 3.08Å; R75-E125 IonicContact CZ-OE1 2.68Å; R75-E125 IonicContact CZ-OE2 2.74Å; R75-E125 IonicContact NH1-OE1 2.81Å; R75-E125 PolarHBondContact NH1-OE1 2.83Å; R75-E125 IonicContact NH1-OE2 3.43Å; R75-E125 PolarHBondContact NH1-OE2 2.97Å; R75-E125 IonicContact NH2-OE1 3.63Å; R75-E125 IonicContact NH2-OE2 3.21Å; R75-E125 PolarHBondContact NH2-OE2 3.4Å |
| 76 | T | 76.9 | Confident | 77 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 14% | 0.135 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -101.7 | -25.8 | -165.4 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | L72 Y78 Y89 | L72-T76 HydrophobicContact CD1-CG2 3.96Å; L72-T76 WeakPolarHBondContact O-CG2 3.31Å; L72-T76 PolarHBondContact O-N 2.9Å; L72-T76 PolarHBondContact O-OG1 2.96Å; T76-Y78 WeakPolarHBondContact O-CD2 3.39Å; T76-Y78 PolarHBondContact O-N 2.88Å; T76-Y89 VanDerWaalsContact CB-OH 3.23Å; T76-Y89 WeakPolarHBondContact CB-OH 3.27Å; T76-Y89 VanDerWaalsContact CG2-OH 3.31Å; T76-Y89 WeakPolarHBondContact CG2-OH 3.27Å; T76-Y89 PolarHBondContact OG1-OH 3.27Å |
| 77 | K | 76.7 | Confident | 77.9 | Confident | 159 Ų | 159 | 69.4 Ų | 69.4 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | trans | 61.9 | 22.5 | -175.1 | -53.1 | 175 | -176.5 | 176.6 | 0 | 114.2 | L73 P93 | L73-K77 VanDerWaalsContact O-CA 3.28Å; L73-K77 WeakPolarHBondContact O-CA 3.47Å; L73-K77 PolarHBondContact O-N 2.91Å; K77-P93 HydrophobicContact CB-CG 4.37Å; K77-P93 WeakPolarHBondContact O-CG 3.39Å | ||
| 78 | Y | 78.3 | Confident | 78.7 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | trans | -73.8 | 152.9 | 175.6 | -83.5 | -126.8 | 0 | 0 | 0 | 110.7 | L73 T76 Y89 P92 I130 | L73-Y78 WeakPolarHBondContact CD2-O 3.31Å; T76-Y78 WeakPolarHBondContact O-CD2 3.39Å; T76-Y78 PolarHBondContact O-N 2.88Å; Y78-Y89 VanDerWaalsContact CB-CE2 3.49Å; Y78-Y89 AromaticContact CD1-CD1 3.78Å; Y78-Y89 HydrophobicContact CD1-CD1 3.78Å; Y78-Y89 AromaticContact CD1-CE1 3.22Å; Y78-Y89 HydrophobicContact CD1-CE1 3.22Å; Y78-Y89 HydrophobicContact CD1-CE2 4.33Å; Y78-Y89 AromaticContact CD1-CZ 3.55Å; Y78-Y89 HydrophobicContact CD2-CE1 4.48Å; Y78-Y89 HydrophobicContact CE1-CD1 4.48Å; Y78-Y89 AromaticContact CE1-CE1 3.74Å; Y78-Y89 HydrophobicContact CE1-CE1 3.74Å; Y78-Y89 HydrophobicContact CG-CD1 4.38Å; Y78-Y89 AromaticContact CG-CE1 3.67Å; Y78-Y89 HydrophobicContact CG-CE1 3.67Å; Y78-Y89 AromaticContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CE2 3.98Å; Y78-Y89 AromaticContact CG-CZ 3.43Å; Y78-Y89 VanDerWaalsContact CG-CZ 3.43Å; Y78-P92 HydrophobicContact CE1-CB 4.06Å; Y78-P92 HydrophobicContact CE1-CG 3.74Å; Y78-P92 HydrophobicContact CE2-CB 4.29Å; Y78-I130 WeakPolarHBondContact CE1-O 3.29Å; Y78-I130 PolarHBondContact OH-O 3.41Å | ||
| 79 | T | 78.7 | Confident | 79.2 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | trans | -73 | 134.5 | 171.9 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | Y89 G90 P91 | T79-Y89 CarbonylContact O-C 3.52Å; T79-Y89 WeakPolarHBondContact O-CA 3.48Å; T79-G90 PolarHBondContact O-N 3.36Å; T79-G90 VanDerWaalsContact OG1-C 3.32Å; T79-P91 PolarHBondContact OG1-O 2.8Å | ||
| 80 | Y | 81.3 | Confident | 79.7 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.3 | 172.5 | 165 | -92.6 | 0 | 0 | 0 | 110.2 | L73 Q82 R87 R88 | L73-Y80 HydrophobicContact CD1-CD1 4.37Å; L73-Y80 HydrophobicContact CD1-CG 4.07Å; Y80-Q82 PolarHBondContact OH-OE1 2.68Å; Y80-R87 HydrophobicContact CE2-CB 4.27Å; Y80-R87 HydrophobicContact CE2-CG 4.1Å; Y80-R87 PolarHBondContact OH-NE 3.4Å; Y80-R87 PolarHBondContact OH-NH2 3.05Å; Y80-R88 CarbonylContact C-O 3.54Å; Y80-R88 VanDerWaalsContact CA-O 3.32Å; Y80-R88 WeakPolarHBondContact CA-O 3.35Å |
| 81 | V | 82.9 | Confident | 79.8 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 126.1 | -175.5 | 179 | 0 | 0 | 0 | 0 | 109.8 | E83 R88 | V81-E83 HydrophobicContact CG1-CG 3.79Å; V81-R88 PolarHBondContact N-O 3.37Å; V81-R88 PolarHBondContact O-N 2.89Å |
| 82 | Q | 81.8 | Confident | 79.8 | Confident | 107 Ų | 107 | 61.3 Ų | 61.3 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 106.5 | 174.8 | -173.5 | 170.8 | -4.7 | 0 | 0 | 110.3 | Y80 Q86 R87 | Y80-Q82 PolarHBondContact OH-OE1 2.68Å; Q82-Q86 WeakPolarHBondContact CA-O 3.41Å; Q82-R87 HydrophobicContact CB-CG 4.31Å; Q82-R87 HydrophobicContact CG-CG 3.92Å |
| 83 | E | 77.7 | Confident | 79.5 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133.8 | -175.3 | -86.2 | 179 | -164.5 | 0 | 0 | 111.2 | V81 G85 Q86 | V81-E83 HydrophobicContact CG1-CG 3.79Å; E83-G85 PolarHBondContact O-N 3.39Å; E83-Q86 PolarHBondContact N-O 2.57Å; E83-Q86 PolarHBondContact O-N 2.93Å |
| 84 | N | 73.2 | Confident | 78.9 | Confident | 125 Ų | 125 | 69 Ų | 69 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.1 | 164.9 | -62 | -69 | 0 | 0 | 0 | 115.6 | ||
| 85 | G | 77.1 | Confident | 78.6 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 26.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | E83 M137 | E83-G85 PolarHBondContact O-N 3.39Å; G85-M137 PolarHBondContact O-N 3.46Å |
| 86 | Q | 83.9 | Confident | 77.6 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.1 | 172.1 | -49.5 | -170.1 | -6.4 | 0 | 0 | 108.3 | Q82 E83 R134 L135 M136 | Q82-Q86 WeakPolarHBondContact CA-O 3.41Å; E83-Q86 PolarHBondContact N-O 2.57Å; E83-Q86 PolarHBondContact O-N 2.93Å; Q86-R134 HydrophobicContact CB-CG 4.36Å; Q86-L135 WeakPolarHBondContact CA-O 3.4Å; Q86-M136 HydrophobicContact CB-SD 4.43Å; Q86-M136 HydrophobicContact CG-SD 3.69Å |
| 87 | R | 87 | Confident | 77 | Confident | 14 Ų | 14 | 73.4 Ų | 73.4 | 5% | 0.053 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 134.7 | 163.1 | -79 | 176.3 | 135.1 | -167.3 | 2 | 107.6 | E66 Y80 Q82 E117 R134 L135 M137 | E66-R87 IonicContact OE2-NH2 3.25Å; E66-R87 PolarHBondContact OE2-NH2 3.42Å; Y80-R87 HydrophobicContact CE2-CB 4.27Å; Y80-R87 HydrophobicContact CE2-CG 4.1Å; Y80-R87 PolarHBondContact OH-NE 3.4Å; Y80-R87 PolarHBondContact OH-NH2 3.05Å; Q82-R87 HydrophobicContact CB-CG 4.31Å; Q82-R87 HydrophobicContact CG-CG 3.92Å; R87-E117 WeakPolarHBondContact CB-OE1 3.39Å; R87-E117 WeakPolarHBondContact CD-OE1 3.44Å; R87-E117 WeakPolarHBondContact CD-OE2 3.25Å; R87-E117 IonicContact CZ-OE2 3.96Å; R87-E117 IonicContact NE-OE2 2.68Å; R87-E117 IonicContact NH1-OE2 3.76Å; R87-E117 PolarHBondContact NH1-OE2 2.98Å; R87-R134 CarbonylContact O-C 3.52Å; R87-R134 VanDerWaalsContact O-CA 3.26Å; R87-R134 WeakPolarHBondContact O-CA 3.5Å; R87-L135 HydrophobicContact CB-CB 4.36Å; R87-L135 PolarHBondContact N-O 2.96Å; R87-L135 PolarHBondContact O-N 2.84Å; R87-M137 HydrophobicContact CB-CG 4.36Å; R87-M137 HydrophobicContact CG-CG 3.91Å; R87-M137 HydrophobicContact CG-SD 4.37Å |
| 88 | R | 87.8 | Confident | 76.8 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 27% | 0.268 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.5 | -179.5 | -70.3 | 178.4 | 60.5 | -143.3 | -9.2 | 109.4 | Y80 V81 F133 R134 | Y80-R88 CarbonylContact C-O 3.54Å; Y80-R88 VanDerWaalsContact CA-O 3.32Å; Y80-R88 WeakPolarHBondContact CA-O 3.35Å; V81-R88 PolarHBondContact N-O 3.37Å; V81-R88 PolarHBondContact O-N 2.89Å; R88-F133 WeakPolarHBondContact CA-O 3.27Å; R88-R134 HydrophobicContact CG-CB 4.45Å; R88-R134 HydrophobicContact CG-CG 3.99Å |
| 89 | Y | 86.1 | Confident | 76.7 | Confident | 6 Ų | 6 | 75 Ų | 75 | 2% | 0.024 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.2 | 175 | 166.5 | -81.8 | 0 | 0 | 0 | 108.1 | L72 L73 T76 Y78 T79 I121 M132 F133 | L72-Y89 HydrophobicContact CD2-CE2 4.31Å; L72-Y89 HydrophobicContact CG-CE2 4.34Å; L73-Y89 HydrophobicContact CD2-CD2 3.99Å; L73-Y89 HydrophobicContact CD2-CE2 4.11Å; T76-Y89 VanDerWaalsContact CB-OH 3.23Å; T76-Y89 WeakPolarHBondContact CB-OH 3.27Å; T76-Y89 VanDerWaalsContact CG2-OH 3.31Å; T76-Y89 WeakPolarHBondContact CG2-OH 3.27Å; T76-Y89 PolarHBondContact OG1-OH 3.27Å; Y78-Y89 VanDerWaalsContact CB-CE2 3.49Å; Y78-Y89 AromaticContact CD1-CD1 3.78Å; Y78-Y89 HydrophobicContact CD1-CD1 3.78Å; Y78-Y89 AromaticContact CD1-CE1 3.22Å; Y78-Y89 HydrophobicContact CD1-CE1 3.22Å; Y78-Y89 HydrophobicContact CD1-CE2 4.33Å; Y78-Y89 AromaticContact CD1-CZ 3.55Å; Y78-Y89 HydrophobicContact CD2-CE1 4.48Å; Y78-Y89 HydrophobicContact CE1-CD1 4.48Å; Y78-Y89 AromaticContact CE1-CE1 3.74Å; Y78-Y89 HydrophobicContact CE1-CE1 3.74Å; Y78-Y89 HydrophobicContact CG-CD1 4.38Å; Y78-Y89 AromaticContact CG-CE1 3.67Å; Y78-Y89 HydrophobicContact CG-CE1 3.67Å; Y78-Y89 AromaticContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CE2 3.98Å; Y78-Y89 AromaticContact CG-CZ 3.43Å; Y78-Y89 VanDerWaalsContact CG-CZ 3.43Å; T79-Y89 CarbonylContact O-C 3.52Å; T79-Y89 WeakPolarHBondContact O-CA 3.48Å; Y89-I121 HydrophobicContact CD1-CD1 3.5Å; Y89-I121 HydrophobicContact CD1-CG1 4.38Å; Y89-I121 HydrophobicContact CD2-CD1 3.59Å; Y89-I121 HydrophobicContact CE1-CD1 3.77Å; Y89-I121 HydrophobicContact CE1-CG1 4.46Å; Y89-I121 HydrophobicContact CE1-CG2 4.13Å; Y89-I121 HydrophobicContact CE2-CD1 3.84Å; Y89-I121 HydrophobicContact CG-CD1 3.41Å; Y89-I121 VanDerWaalsContact CG-CD1 3.41Å; Y89-M132 CarbonylContact O-C 3.58Å; Y89-M132 VanDerWaalsContact O-CA 3.3Å; Y89-M132 WeakPolarHBondContact O-CA 3.17Å; Y89-F133 HydrophobicContact CD1-CB 4.16Å; Y89-F133 PolarHBondContact N-O 3.14Å; Y89-F133 PolarHBondContact O-N 3.48Å |
| 90 | G | 83.9 | Confident | 76.8 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | trans | 90.1 | 160.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T79 | T79-G90 PolarHBondContact O-N 3.36Å; T79-G90 VanDerWaalsContact OG1-C 3.32Å | ||
| 91 | P | 77.3 | Confident | 76.6 | Confident | 49 Ų | 49 | 74.3 Ų | 74.3 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | cis | -77 | 165 | 21.8 | 30.1 | -37.1 | 0 | 0 | 0 | 116.1 | T79 Y131 | T79-P91 PolarHBondContact OG1-O 2.8Å; P91-Y131 WeakPolarHBondContact CA-O 3.25Å; P91-Y131 HydrophobicContact CB-CE2 4.03Å | ||
| 92 | P | 76.3 | Confident | 76.3 | Confident | 9 Ų | 9 | 76.4 Ų | 76.4 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | trans | -60.7 | 139.7 | 172.1 | -15.6 | 27.6 | 0 | 0 | 0 | 110.7 | Y78 N94 W95 | Y78-P92 HydrophobicContact CE1-CB 4.06Å; Y78-P92 HydrophobicContact CE1-CG 3.74Å; Y78-P92 HydrophobicContact CE2-CB 4.29Å; P92-N94 WeakPolarHBondContact CB-OD1 3.37Å; P92-N94 PolarHBondContact O-N 3.39Å; P92-N94 VanDerWaalsContact O-N 3.09Å; P92-W95 HydrophobicContact CB-CB 4.23Å; P92-W95 HydrophobicContact CG-CB 4.26Å; P92-W95 HydrophobicContact CG-CE3 4.27Å; P92-W95 WeakPolarHBondContact O-CB 3.49Å; P92-W95 PolarHBondContact O-N 3.48Å; P92-W95 VanDerWaalsContact O-N 3.09Å | ||
| 93 | P | 68.8 | Low | 76.2 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 59% | 0.591 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -14.1 | -174.2 | 29.5 | -38.3 | 0 | 0 | 0 | 114 | K77 | K77-P93 HydrophobicContact CB-CG 4.37Å; K77-P93 WeakPolarHBondContact O-CG 3.39Å |
| 94 | N | 66.4 | Low | 76.6 | Confident | 123 Ų | 123 | 67.7 Ų | 67.7 | 66% | 0.658 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 7.3 | 178 | 63 | -22.5 | 0 | 0 | 0 | 113.6 | P92 Q96 | P92-N94 WeakPolarHBondContact CB-OD1 3.37Å; P92-N94 PolarHBondContact O-N 3.39Å; P92-N94 VanDerWaalsContact O-N 3.09Å; N94-Q96 PolarHBondContact O-N 2.73Å |
| 95 | W | 67.5 | Low | 77.4 | Confident | 87 Ų | 87 | 63.3 Ų | 63.3 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | trans | -78 | 102.3 | -177.2 | -163.7 | -88.3 | 0 | 0 | 0 | 112 | P92 C97 E98 Y131 T152 | P92-W95 HydrophobicContact CB-CB 4.23Å; P92-W95 HydrophobicContact CG-CB 4.26Å; P92-W95 HydrophobicContact CG-CE3 4.27Å; P92-W95 WeakPolarHBondContact O-CB 3.49Å; P92-W95 PolarHBondContact O-N 3.48Å; P92-W95 VanDerWaalsContact O-N 3.09Å; W95-C97 HydrophobicContact CZ2-CB 3.96Å; W95-C97 PolarHBondContact NE1-O 3.26Å; W95-C97 VanDerWaalsContact NE1-O 3.12Å; W95-E98 PolarHBondContact NE1-O 3.34Å; W95-Y131 AromaticContact CD1-CE2 3.58Å; W95-Y131 HydrophobicContact CD2-CD2 4.07Å; W95-Y131 HydrophobicContact CD2-CE2 4.25Å; W95-Y131 AromaticContact CE2-CD2 3.97Å; W95-Y131 HydrophobicContact CG-CD2 4.18Å; W95-Y131 AromaticContact CG-CE2 3.94Å; W95-Y131 HydrophobicContact CG-CE2 3.94Å; W95-Y131 AromaticContact NE1-CD2 3.96Å; W95-Y131 AromaticContact NE1-CE2 3.59Å; W95-T152 HydrophobicContact CE3-CG2 4.34Å; W95-T152 HydrophobicContact CH2-CG2 3.31Å; W95-T152 HydrophobicContact CZ2-CG2 4.17Å; W95-T152 HydrophobicContact CZ3-CG2 3.41Å; W95-T152 VanDerWaalsContact CZ3-CG2 3.41Å | ||
| 96 | Q | 59.9 | Low | 78.2 | Confident | 191 Ų | 191 | 62.4 Ų | 62.4 | 89% | 0.893 | 33% | 0.334 | S | S | * | . | trans | -98.3 | -7.7 | 178.6 | -62 | 179.6 | 11 | 0 | 0 | 113.7 | N94 | N94-Q96 PolarHBondContact O-N 2.73Š| ||
| 97 | C | 64 | Low | 78.6 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 62% | 0.622 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -82.3 | 168.5 | 179.8 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | W95 | W95-C97 HydrophobicContact CZ2-CB 3.96Å; W95-C97 PolarHBondContact NE1-O 3.26Å; W95-C97 VanDerWaalsContact NE1-O 3.12Å |
| 98 | E | 72.8 | Confident | 78.9 | Confident | 177 Ų | 177 | 62 Ų | 62 | 83% | 0.827 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 165.3 | 169.8 | -62.7 | -170.4 | 167.9 | 0 | 0 | 112.2 | W95 | W95-E98 PolarHBondContact NE1-O 3.34Š|
| 99 | A | 77.4 | Confident | 79.1 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 144.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y131 | A99-Y131 HydrophobicContact CB-CE1 4.44Š|
| 100 | P | 79.4 | Confident | 79.3 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 144.8 | 179.9 | -28.3 | 36.4 | 0 | 0 | 0 | 113.2 | C104 Y131 V150 Y151 | P100-C104 HydrophobicContact CB-CB 3.89Å; P100-Y131 VanDerWaalsContact CD-CD1 3.47Å; P100-Y131 HydrophobicContact CG-CD1 3.82Å; P100-Y131 HydrophobicContact CG-CD2 3.93Å; P100-Y131 HydrophobicContact CG-CE1 4.41Å; P100-Y131 HydrophobicContact CG-CG 3.55Å; P100-V150 HydrophobicContact CB-CG1 4.13Å; P100-V150 HydrophobicContact CG-CG1 4.1Å; P100-Y151 WeakPolarHBondContact CB-O 3.31Å; P100-Y151 WeakPolarHBondContact CG-O 3.31Å |
| 101 | P | 76.7 | Confident | 79.7 | Confident | 87 Ų | 87 | 64.9 Ų | 64.9 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 162.3 | -178 | 26.5 | -33.7 | 0 | 0 | 0 | 112.7 | C104 | P101-C104 WeakPolarHBondContact O-CB 3.14Å; P101-C104 PolarHBondContact O-N 3.41Å; P101-C104 PolarHBondContact O-SG 3.19Å |
| 102 | R | 76.7 | Confident | 80.3 | Confident | 97 Ų | 97 | 63 Ų | 63 | 37% | 0.366 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 142.5 | 176.9 | -70.3 | -172.4 | -177.3 | 178.4 | -0 | 111.6 | C104 R154 D182 E233 Y234 G235 | R102-C104 VanDerWaalsContact C-N 3.31Å; R102-R154 PolarHBondContact O-NH2 3.03Å; R102-D182 WeakPolarHBondContact CA-OD2 3.49Å; R102-D182 WeakPolarHBondContact CB-OD2 3.13Å; R102-E233 IonicContact CZ-OE1 3.44Å; R102-E233 IonicContact NH1-OE1 3.68Å; R102-E233 PolarHBondContact NH1-OE1 2.81Å; R102-E233 IonicContact NH2-OE1 3.42Å; R102-Y234 PolarHBondContact NH2-O 3.18Å; R102-G235 PolarHBondContact NH2-O 2.91Å |
| 103 | G | 80.7 | Confident | 80.8 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 21.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D182 | G103-D182 PolarHBondContact N-OD2 3.02Å; G103-D182 VanDerWaalsContact N-OD2 3.16Å |
| 104 | C | 86.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | trans | -95.9 | 15 | 157.9 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | P100 P101 R102 V150 Y151 R154 T157 | P100-C104 HydrophobicContact CB-CB 3.89Å; P101-C104 WeakPolarHBondContact O-CB 3.14Å; P101-C104 PolarHBondContact O-N 3.41Å; P101-C104 PolarHBondContact O-SG 3.19Å; R102-C104 VanDerWaalsContact C-N 3.31Å; C104-V150 CarbonylContact O-C 3.54Å; C104-V150 WeakPolarHBondContact O-CA 3.39Å; C104-Y151 PolarHBondContact O-N 3.44Å; C104-R154 PolarHBondContact SG-N 3.17Å; C104-R154 VanDerWaalsContact SG-N 3.39Å; C104-T157 VanDerWaalsContact C-OG1 3.29Å; C104-T157 VanDerWaalsContact CA-OG1 3.26Å; C104-T157 WeakPolarHBondContact CA-OG1 3.28Å; C104-T157 PolarHBondContact O-OG1 3.31Å | ||
| 105 | E | 90.1 | Very high | 82.5 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 139.1 | 178.8 | -171.3 | -177 | -108.7 | 0 | 0 | 111.1 | F148 C149 V150 S180 | E105-F148 HydrophobicContact CG-CB 4.15Å; E105-F148 HydrophobicContact CG-CD1 4.23Å; E105-F148 VanDerWaalsContact OE2-CD1 3.29Å; E105-F148 WeakPolarHBondContact OE2-CD1 3.24Å; E105-C149 CarbonylContact C-O 3.6Å; E105-C149 WeakPolarHBondContact CA-O 3.45Å; E105-V150 HydrophobicContact CB-CG2 4.07Å; E105-V150 HydrophobicContact CG-CG2 3.84Å; E105-S180 WeakPolarHBondContact O-CB 3.41Å; E105-S180 PolarHBondContact O-N 3.1Å; E105-S180 VanDerWaalsContact OE2-CB 3.27Å; E105-S180 WeakPolarHBondContact OE2-CB 3.4Å; E105-S180 PolarHBondContact OE2-OG 3.2Å |
| 106 | V | 92.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.4 | 177 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | I108 F148 C149 Y151 T157 A160 V161 V177 C178 | V106-I108 HydrophobicContact CG1-CG1 4.38Å; V106-F148 CarbonylContact O-C 3.49Å; V106-F148 VanDerWaalsContact O-CA 3.32Å; V106-F148 WeakPolarHBondContact O-CA 3.19Å; V106-C149 PolarHBondContact N-O 3.13Å; V106-C149 PolarHBondContact O-N 3.36Å; V106-Y151 HydrophobicContact CG2-CD2 3.97Å; V106-Y151 HydrophobicContact CG2-CE2 3.89Å; V106-T157 HydrophobicContact CG2-CG2 3.66Å; V106-A160 HydrophobicContact CG2-CB 4.22Å; V106-V161 HydrophobicContact CG1-CG2 4.09Å; V106-V161 HydrophobicContact CG2-CG2 4.48Å; V106-V177 HydrophobicContact CG1-CG1 3.28Å; V106-C178 CarbonylContact C-O 3.23Å; V106-C178 WeakPolarHBondContact CA-O 3.36Å; V106-C178 WeakPolarHBondContact CG1-O 3.47Å |
| 107 | F | 92.6 | Very high | 84.8 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 31% | 0.311 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 132.3 | 166.8 | 172.9 | -96.3 | 0 | 0 | 0 | 110 | F146 F148 C178 | F107-F146 HydrophobicContact CE2-CB 3.88Å; F107-F146 AromaticContact CE2-CD2 3.78Å; F107-F146 HydrophobicContact CE2-CD2 3.78Å; F107-F146 HydrophobicContact CE2-CG 4.13Å; F107-F146 HydrophobicContact CZ-CB 3.89Å; F107-F146 HydrophobicContact CZ-CG 4.43Å; F107-F148 HydrophobicContact CB-CE1 4.41Å; F107-F148 HydrophobicContact CD2-CD1 4.34Å; F107-F148 AromaticContact CD2-CE1 3.77Å; F107-F148 HydrophobicContact CD2-CE1 3.77Å; F107-F148 HydrophobicContact CD2-CE2 4.39Å; F107-F148 AromaticContact CD2-CZ 3.79Å; F107-F148 HydrophobicContact CD2-CZ 3.79Å; F107-F148 HydrophobicContact CE2-CZ 4.28Å; F107-C178 PolarHBondContact N-O 3.07Å; F107-C178 PolarHBondContact O-N 3.16Å |
| 108 | I | 93.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.8 | -179.6 | -52.3 | 158.2 | 0 | 0 | 0 | 107.5 | V106 I111 F124 F133 F146 G147 C149 I175 G176 | V106-I108 HydrophobicContact CG1-CG1 4.38Å; I108-I111 HydrophobicContact CB-CD1 4.21Å; I108-I111 HydrophobicContact CG2-CD1 3.79Å; I108-I111 HydrophobicContact CG2-CG1 3.79Å; I108-F124 HydrophobicContact CB-CZ 4.31Å; I108-F124 HydrophobicContact CD1-CD1 4.32Å; I108-F124 HydrophobicContact CD1-CD2 4.05Å; I108-F124 HydrophobicContact CD1-CE1 3.76Å; I108-F124 HydrophobicContact CD1-CE2 3.47Å; I108-F124 VanDerWaalsContact CD1-CE2 3.47Å; I108-F124 HydrophobicContact CD1-CG 4.48Å; I108-F124 HydrophobicContact CD1-CZ 3.32Å; I108-F124 HydrophobicContact CG1-CE1 3.89Å; I108-F124 HydrophobicContact CG1-CE2 4.16Å; I108-F124 HydrophobicContact CG1-CZ 3.52Å; I108-F124 HydrophobicContact CG2-CE2 4.22Å; I108-F124 HydrophobicContact CG2-CZ 3.78Å; I108-F133 HydrophobicContact CD1-CD2 4.45Å; I108-F133 HydrophobicContact CD1-CE2 3.53Å; I108-F133 HydrophobicContact CD1-CZ 4.11Å; I108-F146 CarbonylContact O-C 3.59Å; I108-F146 WeakPolarHBondContact O-CA 3.47Å; I108-F146 VanDerWaalsContact O-CB 3.31Å; I108-F146 WeakPolarHBondContact O-CB 3.39Å; I108-G147 PolarHBondContact N-O 2.97Å; I108-G147 PolarHBondContact O-N 3.37Å; I108-C149 HydrophobicContact CD1-CB 3.73Å; I108-I175 HydrophobicContact CG2-CB 4.43Å; I108-I175 HydrophobicContact CG2-CG2 4.42Å; I108-G176 WeakPolarHBondContact CA-O 3.25Å |
| 109 | G | 92.6 | Very high | 86.6 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I111 G145 G176 | G109-I111 PolarHBondContact O-N 2.78Å; G109-G145 CarbonylContact C-O 3.56Å; G109-G176 PolarHBondContact N-O 3.23Å; G109-G176 PolarHBondContact O-N 3.19Å |
| 110 | K | 90.5 | Very high | 87.2 | Confident | 124 Ų | 124 | 39 Ų | 39 | 54% | 0.539 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 58.7 | 22.2 | -174.4 | -49.7 | 176.3 | -175.3 | 170.7 | 0 | 113.8 | G145 T174 | K110-G145 PolarHBondContact N-O 3.36Å; K110-G145 VanDerWaalsContact N-O 3.13Å; K110-T174 WeakPolarHBondContact CB-O 3.23Å |
| 111 | I | 91.9 | Very high | 87.7 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -60.4 | 132.8 | 176.2 | -54.8 | -179 | 0 | 0 | 0 | 108 | I108 G109 R113 C115 L120 L135 G145 I175 | I108-I111 HydrophobicContact CB-CD1 4.21Å; I108-I111 HydrophobicContact CG2-CD1 3.79Å; I108-I111 HydrophobicContact CG2-CG1 3.79Å; G109-I111 PolarHBondContact O-N 2.78Å; I111-R113 PolarHBondContact O-N 2.99Å; I111-C115 HydrophobicContact CG2-CB 4.28Å; I111-L120 HydrophobicContact CD1-CD1 4.21Å; I111-L120 HydrophobicContact CG2-CD1 3.9Å; I111-L120 HydrophobicContact CG2-CD2 4.29Å; I111-L135 HydrophobicContact CD1-CD1 3.68Å; I111-L135 HydrophobicContact CG2-CD1 4.47Å; I111-G145 PolarHBondContact N-O 3.03Å; I111-G145 WeakPolarHBondContact O-CA 3.47Å; I111-I175 HydrophobicContact CG1-CG2 4.41Å | ||
| 112 | P | 89.2 | Confident | 88.4 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | trans | -57.3 | 132.8 | 172.9 | -20.3 | 30.3 | 0 | 0 | 0 | 110.1 | D114 C115 N143 K173 | P112-D114 WeakPolarHBondContact CB-OD1 3.46Å; P112-D114 PolarHBondContact O-N 3.1Å; P112-C115 HydrophobicContact CB-CB 3.69Å; P112-C115 HydrophobicContact CG-CB 3.81Å; P112-C115 WeakPolarHBondContact O-CB 3.4Å; P112-C115 PolarHBondContact O-N 3.42Å; P112-N143 PolarHBondContact O-ND2 3.07Å; P112-K173 HydrophobicContact CB-CD 3.65Å; P112-K173 HydrophobicContact CG-CB 4.12Å; P112-K173 HydrophobicContact CG-CD 3.66Å | ||
| 113 | R | 86.5 | Confident | 89 | Confident | 125 Ų | 125 | 32.2 Ų | 32.2 | 47% | 0.472 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -22.8 | 177.6 | -75.8 | -171.4 | -174 | -119.7 | 6.2 | 113.5 | I111 E138 I142 N143 | I111-R113 PolarHBondContact O-N 2.99Å; R113-E138 IonicContact NH1-OE2 2.73Å; R113-I142 HydrophobicContact CB-CG2 3.7Å; R113-I142 HydrophobicContact CG-CG2 4.21Å; R113-I142 VanDerWaalsContact O-CG2 3.31Å; R113-I142 WeakPolarHBondContact O-CG2 3.4Å; R113-N143 PolarHBondContact O-ND2 3.26Å |
| 114 | D | 85.5 | Confident | 89.6 | Confident | 71 Ų | 71 | 31 Ų | 31 | 38% | 0.38 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 12.5 | -176.4 | 51.7 | -46.5 | 0 | 0 | 0 | 114.6 | P112 R170 K173 | P112-D114 WeakPolarHBondContact CB-OD1 3.46Å; P112-D114 PolarHBondContact O-N 3.1Å; D114-R170 VanDerWaalsContact O-CZ 3.26Å; D114-R170 PolarHBondContact O-NH1 3.36Å; D114-R170 PolarHBondContact O-NH2 3.45Å; D114-R170 IonicContact OD2-CZ 2.59Å; D114-R170 IonicContact OD2-NH1 3.82Å; D114-R170 PolarHBondContact OD2-NH1 2.95Å; D114-K173 IonicContact OD1-NZ 3.64Å; D114-K173 PolarHBondContact OD1-NZ 2.91Å; D114-K173 IonicContact OD2-NZ 2.69Å; D114-K173 PolarHBondContact OD2-NZ 2.99Å |
| 115 | C | 86 | Confident | 89.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -120.8 | 139.6 | -176.8 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | I111 P112 E119 N143 | I111-C115 HydrophobicContact CG2-CB 4.28Å; P112-C115 HydrophobicContact CB-CB 3.69Å; P112-C115 HydrophobicContact CG-CB 3.81Å; P112-C115 WeakPolarHBondContact O-CB 3.4Å; P112-C115 PolarHBondContact O-N 3.42Å; C115-E119 PolarHBondContact SG-OE2 3.1Å; C115-N143 PolarHBondContact O-ND2 3.01Å | ||
| 116 | F | 88.6 | Confident | 89.8 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 17% | 0.171 | 19% | 0.187 | C | C | . | . | trans | -131 | -171 | -173.5 | -60.8 | -85.4 | 0 | 0 | 0 | 112 | A65 I69 D118 E119 L120 L135 M137 | A65-F116 HydrophobicContact CB-CD2 4.15Å; A65-F116 HydrophobicContact CB-CE2 4.3Å; I69-F116 HydrophobicContact CD1-CB 4.44Å; F116-D118 WeakPolarHBondContact CA-OD1 3.47Å; F116-D118 WeakPolarHBondContact CB-OD1 3.31Å; F116-D118 PolarHBondContact N-OD1 3.33Å; F116-D118 PolarHBondContact O-N 3.25Å; F116-E119 PolarHBondContact O-N 3Å; F116-L120 WeakPolarHBondContact O-CB 3.49Å; F116-L120 VanDerWaalsContact O-CD1 3.3Å; F116-L120 WeakPolarHBondContact O-CD1 3.24Å; F116-L120 VanDerWaalsContact O-CG 3.25Å; F116-L120 WeakPolarHBondContact O-CG 3.48Å; F116-L120 PolarHBondContact O-N 3.4Å; F116-L120 VanDerWaalsContact O-N 3.09Å; F116-L135 HydrophobicContact CD1-CD2 4.19Å; F116-M137 HydrophobicContact CD1-CE 4.28Å; F116-M137 HydrophobicContact CE1-CE 3.81Å | ||
| 117 | E | 87.7 | Confident | 89.7 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -51.3 | -31.4 | 177.8 | -73.7 | 76.1 | -167.4 | 0 | 0 | 114 | I69 R87 I121 F133 L135 | I69-E117 HydrophobicContact CG1-CB 4.48Å; R87-E117 WeakPolarHBondContact CB-OE1 3.39Å; R87-E117 WeakPolarHBondContact CD-OE1 3.44Å; R87-E117 WeakPolarHBondContact CD-OE2 3.25Å; R87-E117 IonicContact CZ-OE2 3.96Å; R87-E117 IonicContact NE-OE2 2.68Å; R87-E117 IonicContact NH1-OE2 3.76Å; R87-E117 PolarHBondContact NH1-OE2 2.98Å; E117-I121 HydrophobicContact CB-CD1 3.88Å; E117-I121 HydrophobicContact CG-CD1 4.25Å; E117-I121 VanDerWaalsContact O-CB 3.25Å; E117-I121 WeakPolarHBondContact O-CB 3.47Å; E117-I121 WeakPolarHBondContact O-CG1 3.32Å; E117-I121 PolarHBondContact O-N 2.92Å; E117-F133 HydrophobicContact CG-CD1 4.25Å; E117-F133 HydrophobicContact CG-CE1 4.45Å; E117-L135 WeakPolarHBondContact OE1-CB 3.4Å |
| 118 | D | 85.3 | Confident | 89.6 | Confident | 37 Ų | 37 | 37.1 Ų | 37.1 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 179.5 | 63.7 | -32.2 | 0 | 0 | 0 | 113.7 | A68 I69 F116 P122 | A68-D118 HydrophobicContact CB-CB 3.8Å; I69-D118 HydrophobicContact CG1-CB 4.32Å; F116-D118 WeakPolarHBondContact CA-OD1 3.47Å; F116-D118 WeakPolarHBondContact CB-OD1 3.31Å; F116-D118 PolarHBondContact N-OD1 3.33Å; F116-D118 PolarHBondContact O-N 3.25Å; D118-P122 WeakPolarHBondContact O-CD 3.39Å; D118-P122 VanDerWaalsContact O-CG 3.26Å; D118-P122 WeakPolarHBondContact O-CG 3.35Å |
| 119 | E | 89 | Confident | 89.4 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -84.6 | -34.2 | 175.3 | -76.6 | -177.2 | -174.3 | 0 | 0 | 112.3 | C115 F116 V123 I169 R170 | C115-E119 PolarHBondContact SG-OE2 3.1Å; F116-E119 PolarHBondContact O-N 3Å; E119-V123 WeakPolarHBondContact O-CG2 3.47Å; E119-I169 HydrophobicContact CB-CG2 4.27Å; E119-R170 VanDerWaalsContact CD-NE 3.33Å; E119-R170 IonicContact OE1-CZ 2.72Å; E119-R170 IonicContact OE1-NE 3.28Å; E119-R170 PolarHBondContact OE1-NE 2.79Å; E119-R170 IonicContact OE1-NH2 2.73Å; E119-R170 PolarHBondContact OE1-NH2 3.19Å; E119-R170 IonicContact OE2-CZ 2.83Å; E119-R170 VanDerWaalsContact OE2-CZ 3.28Å; E119-R170 IonicContact OE2-NE 3.94Å; E119-R170 PolarHBondContact OE2-NE 3.18Å; E119-R170 IonicContact OE2-NH2 2.74Å; E119-R170 PolarHBondContact OE2-NH2 3.37Å |
| 120 | L | 90.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75 | -48.2 | -172.9 | -69.4 | 161.3 | 0 | 0 | 0 | 111.9 | I111 F116 V123 F124 F133 L135 I169 | I111-L120 HydrophobicContact CD1-CD1 4.21Å; I111-L120 HydrophobicContact CG2-CD1 3.9Å; I111-L120 HydrophobicContact CG2-CD2 4.29Å; F116-L120 WeakPolarHBondContact O-CB 3.49Å; F116-L120 VanDerWaalsContact O-CD1 3.3Å; F116-L120 WeakPolarHBondContact O-CD1 3.24Å; F116-L120 VanDerWaalsContact O-CG 3.25Å; F116-L120 WeakPolarHBondContact O-CG 3.48Å; F116-L120 PolarHBondContact O-N 3.4Å; F116-L120 VanDerWaalsContact O-N 3.09Å; L120-V123 PolarHBondContact O-N 3.13Å; L120-V123 VanDerWaalsContact O-N 3.12Å; L120-F124 HydrophobicContact CB-CD2 4.49Å; L120-F124 HydrophobicContact CD2-CE2 4.11Å; L120-F124 WeakPolarHBondContact O-CD2 3.44Å; L120-F124 PolarHBondContact O-N 3.39Å; L120-F124 VanDerWaalsContact O-N 3.14Å; L120-F133 HydrophobicContact CB-CE1 4.28Å; L120-F133 HydrophobicContact CB-CE2 4.25Å; L120-F133 HydrophobicContact CB-CZ 3.7Å; L120-F133 HydrophobicContact CD1-CE1 4.18Å; L120-F133 HydrophobicContact CD1-CZ 3.86Å; L120-F133 HydrophobicContact CG-CZ 4.27Å; L120-L135 HydrophobicContact CD1-CD1 4.06Å; L120-L135 HydrophobicContact CD1-CD2 4.49Å; L120-I169 HydrophobicContact CD2-CD1 3.51Å |
| 121 | I | 90.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | -172.6 | -71.9 | 166.8 | 0 | 0 | 0 | 112.3 | L72 Y89 E117 V123 F124 E125 I130 F133 | L72-I121 HydrophobicContact CD1-CG2 4.36Å; L72-I121 HydrophobicContact CD2-CB 4.09Å; L72-I121 HydrophobicContact CD2-CD1 3.8Å; L72-I121 HydrophobicContact CD2-CG2 4.3Å; Y89-I121 HydrophobicContact CD1-CD1 3.5Å; Y89-I121 HydrophobicContact CD1-CG1 4.38Å; Y89-I121 HydrophobicContact CD2-CD1 3.59Å; Y89-I121 HydrophobicContact CE1-CD1 3.77Å; Y89-I121 HydrophobicContact CE1-CG1 4.46Å; Y89-I121 HydrophobicContact CE1-CG2 4.13Å; Y89-I121 HydrophobicContact CE2-CD1 3.84Å; Y89-I121 HydrophobicContact CG-CD1 3.41Å; Y89-I121 VanDerWaalsContact CG-CD1 3.41Å; E117-I121 HydrophobicContact CB-CD1 3.88Å; E117-I121 HydrophobicContact CG-CD1 4.25Å; E117-I121 VanDerWaalsContact O-CB 3.25Å; E117-I121 WeakPolarHBondContact O-CB 3.47Å; E117-I121 WeakPolarHBondContact O-CG1 3.32Å; E117-I121 PolarHBondContact O-N 2.92Å; I121-V123 PolarHBondContact O-N 2.97Å; I121-V123 VanDerWaalsContact O-N 3.11Å; I121-F124 PolarHBondContact O-N 3.16Å; I121-F124 VanDerWaalsContact O-N 3.16Å; I121-E125 WeakPolarHBondContact O-CB 3.38Å; I121-E125 PolarHBondContact O-N 3.29Å; I121-I130 HydrophobicContact CG2-CD1 4.18Å; I121-F133 HydrophobicContact CD1-CB 4.35Å; I121-F133 HydrophobicContact CD1-CD1 4.49Å; I121-F133 HydrophobicContact CD1-CG 4.46Å; I121-F133 HydrophobicContact CG1-CB 4.29Å; I121-F133 HydrophobicContact CG1-CD1 4.35Å; I121-F133 HydrophobicContact CG1-CD2 4.4Å; I121-F133 HydrophobicContact CG1-CG 4.1Å |
| 122 | P | 89.8 | Confident | 89.2 | Confident | 49 Ų | 49 | 37 Ų | 37 | 32% | 0.318 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.3 | -18.8 | 176.7 | -25.3 | 36.5 | 0 | 0 | 0 | 115 | D118 Q126 | D118-P122 WeakPolarHBondContact O-CD 3.39Å; D118-P122 VanDerWaalsContact O-CG 3.26Å; D118-P122 WeakPolarHBondContact O-CG 3.35Å; P122-Q126 WeakPolarHBondContact O-CG 3.47Å; P122-Q126 PolarHBondContact O-NE2 3.49Å |
| 123 | V | 91 | Very high | 89.3 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -82.5 | -47.4 | 172.8 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | E119 L120 I121 E125 Q126 L164 Y167 | E119-V123 WeakPolarHBondContact O-CG2 3.47Å; L120-V123 PolarHBondContact O-N 3.13Å; L120-V123 VanDerWaalsContact O-N 3.12Å; I121-V123 PolarHBondContact O-N 2.97Å; I121-V123 VanDerWaalsContact O-N 3.11Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 3.28Å; V123-Q126 PolarHBondContact O-N 3.42Å; V123-L164 HydrophobicContact CG1-CD1 4.2Å; V123-L164 HydrophobicContact CG1-CD2 3.78Å; V123-Y167 HydrophobicContact CG1-CD1 3.98Å; V123-Y167 HydrophobicContact CG1-CE1 3.79Å; V123-Y167 HydrophobicContact CG1-CG 4.46Å; V123-Y167 HydrophobicContact CG2-CE1 3.98Å |
| 124 | F | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.3 | -27.7 | 179.5 | -71 | -74.4 | 0 | 0 | 0 | 113.3 | I108 L120 I121 Q126 I127 I130 F133 Y151 L164 I175 V177 | I108-F124 HydrophobicContact CB-CZ 4.31Å; I108-F124 HydrophobicContact CD1-CD1 4.32Å; I108-F124 HydrophobicContact CD1-CD2 4.05Å; I108-F124 HydrophobicContact CD1-CE1 3.76Å; I108-F124 HydrophobicContact CD1-CE2 3.47Å; I108-F124 VanDerWaalsContact CD1-CE2 3.47Å; I108-F124 HydrophobicContact CD1-CG 4.48Å; I108-F124 HydrophobicContact CD1-CZ 3.32Å; I108-F124 HydrophobicContact CG1-CE1 3.89Å; I108-F124 HydrophobicContact CG1-CE2 4.16Å; I108-F124 HydrophobicContact CG1-CZ 3.52Å; I108-F124 HydrophobicContact CG2-CE2 4.22Å; I108-F124 HydrophobicContact CG2-CZ 3.78Å; L120-F124 HydrophobicContact CB-CD2 4.49Å; L120-F124 HydrophobicContact CD2-CE2 4.11Å; L120-F124 WeakPolarHBondContact O-CD2 3.44Å; L120-F124 PolarHBondContact O-N 3.39Å; L120-F124 VanDerWaalsContact O-N 3.14Å; I121-F124 PolarHBondContact O-N 3.16Å; I121-F124 VanDerWaalsContact O-N 3.16Å; F124-Q126 VanDerWaalsContact C-N 3.29Å; F124-Q126 PolarHBondContact O-N 3.39Å; F124-I127 PolarHBondContact O-N 2.93Å; F124-I130 HydrophobicContact CB-CD1 3.74Å; F124-I130 HydrophobicContact CB-CG1 4.44Å; F124-F133 AromaticContact CD2-CE2 3.84Å; F124-F133 HydrophobicContact CD2-CE2 3.84Å; F124-F133 HydrophobicContact CE2-CE2 4.18Å; F124-Y151 WeakPolarHBondContact CA-OH 3.25Å; F124-Y151 WeakPolarHBondContact CB-OH 3.4Å; F124-Y151 WeakPolarHBondContact CD1-OH 3.05Å; F124-Y151 WeakPolarHBondContact O-CE1 3.34Å; F124-Y151 PolarHBondContact O-OH 2.69Å; F124-L164 HydrophobicContact CD1-CD1 3.37Å; F124-L164 HydrophobicContact CE1-CD1 3.51Å; F124-L164 HydrophobicContact CG-CD1 4.15Å; F124-L164 HydrophobicContact CZ-CD1 4.37Å; F124-I175 HydrophobicContact CE2-CD1 4.27Å; F124-I175 HydrophobicContact CZ-CD1 3.71Å; F124-V177 HydrophobicContact CE1-CG1 4.31Å; F124-V177 HydrophobicContact CE1-CG2 4.35Å; F124-V177 HydrophobicContact CZ-CG2 4.33Å |
| 125 | E | 90.9 | Very high | 89.8 | Confident | 77 Ų | 77 | 30.1 Ų | 30.1 | 36% | 0.36 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24 | 176.5 | -173.8 | 177.7 | -178.2 | 0 | 0 | 112.9 | R75 I121 V123 I127 I130 | R75-E125 IonicContact CZ-OE1 2.68Å; R75-E125 IonicContact CZ-OE2 2.74Å; R75-E125 IonicContact NH1-OE1 2.81Å; R75-E125 PolarHBondContact NH1-OE1 2.83Å; R75-E125 IonicContact NH1-OE2 3.43Å; R75-E125 PolarHBondContact NH1-OE2 2.97Å; R75-E125 IonicContact NH2-OE1 3.63Å; R75-E125 IonicContact NH2-OE2 3.21Å; R75-E125 PolarHBondContact NH2-OE2 3.4Å; I121-E125 WeakPolarHBondContact O-CB 3.38Å; I121-E125 PolarHBondContact O-N 3.29Å; V123-E125 VanDerWaalsContact C-N 3.34Å; V123-E125 PolarHBondContact O-N 3.28Å; E125-I127 VanDerWaalsContact C-N 3.28Å; E125-I127 PolarHBondContact O-N 3.11Å; E125-I130 HydrophobicContact CB-CD1 4.43Å |
| 126 | Q | 90 | Very high | 90 | Very high | 134 Ų | 134 | 31.1 Ų | 31.1 | 63% | 0.626 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27.7 | 176.2 | -72.3 | 167.1 | 50.4 | 0 | 0 | 113.2 | P122 V123 F124 | P122-Q126 WeakPolarHBondContact O-CG 3.47Å; P122-Q126 PolarHBondContact O-NE2 3.49Å; V123-Q126 PolarHBondContact O-N 3.42Å; F124-Q126 VanDerWaalsContact C-N 3.29Å; F124-Q126 PolarHBondContact O-N 3.39Å |
| 127 | I | 91.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 29.4 Ų | 29.4 | 5% | 0.051 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -46.1 | 179.4 | -53.6 | -60.3 | 0 | 0 | 0 | 110.3 | F124 E125 Y151 D156 R159 A160 E163 L164 | F124-I127 PolarHBondContact O-N 2.93Å; E125-I127 VanDerWaalsContact C-N 3.28Å; E125-I127 PolarHBondContact O-N 3.11Å; I127-Y151 HydrophobicContact CB-CE1 4.29Å; I127-D156 HydrophobicContact CG2-CB 4.33Å; I127-D156 WeakPolarHBondContact CG2-O 3.34Å; I127-R159 HydrophobicContact CG2-CB 3.78Å; I127-R159 PolarHBondContact O-NH1 3.3Å; I127-R159 PolarHBondContact O-NH2 3.11Å; I127-A160 HydrophobicContact CG1-CB 4.25Å; I127-A160 HydrophobicContact CG2-CB 4.14Å; I127-E163 HydrophobicContact CD1-CB 3.72Å; I127-E163 HydrophobicContact CD1-CG 4.29Å; I127-E163 VanDerWaalsContact CD1-OE2 3.28Å; I127-E163 WeakPolarHBondContact CD1-OE2 3.27Å; I127-L164 HydrophobicContact CD1-CD1 4.25Å; I127-L164 HydrophobicContact CD1-CD2 4.17Å; I127-L164 HydrophobicContact CD1-CG 3.98Å; I127-L164 HydrophobicContact CG1-CD1 3.64Å; I127-L164 HydrophobicContact CG1-CD2 4.42Å; I127-L164 HydrophobicContact CG1-CG 3.94Å |
| 128 | G | 89.1 | Confident | 89.9 | Confident | 14 Ų | 14 | 32 Ų | 32 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 176.9 | 178.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I130 Y151 | G128-I130 PolarHBondContact O-N 3.28Å; G128-Y151 WeakPolarHBondContact O-CE1 3.5Å |
| 129 | P | 89.5 | Confident | 89.6 | Confident | 67 Ų | 67 | 38.4 Ų | 38.4 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | trans | -67.2 | 123.1 | -176.8 | 27 | -34.2 | 0 | 0 | 0 | 112 | T152 | P129-T152 HydrophobicContact CB-CG2 4.13Å; P129-T152 HydrophobicContact CG-CG2 3.98Å; P129-T152 PolarHBondContact O-N 3.09Å | ||
| 130 | I | 91.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.1 | 175.4 | -59.5 | 173.4 | 0 | 0 | 0 | 108.7 | Y78 I121 F124 E125 G128 F133 Y151 | Y78-I130 WeakPolarHBondContact CE1-O 3.29Å; Y78-I130 PolarHBondContact OH-O 3.41Å; I121-I130 HydrophobicContact CG2-CD1 4.18Å; F124-I130 HydrophobicContact CB-CD1 3.74Å; F124-I130 HydrophobicContact CB-CG1 4.44Å; E125-I130 HydrophobicContact CB-CD1 4.43Å; G128-I130 PolarHBondContact O-N 3.28Å; I130-F133 HydrophobicContact CG2-CB 4.23Å; I130-Y151 HydrophobicContact CG1-CE1 4.16Å |
| 131 | Y | 89.9 | Confident | 88.6 | Confident | 40 Ų | 40 | 41 Ų | 41 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -43.1 | 169.9 | 174.3 | -98.7 | 0 | 0 | 0 | 111.5 | P91 W95 A99 P100 V150 | P91-Y131 WeakPolarHBondContact CA-O 3.25Å; P91-Y131 HydrophobicContact CB-CE2 4.03Å; W95-Y131 AromaticContact CD1-CE2 3.58Å; W95-Y131 HydrophobicContact CD2-CD2 4.07Å; W95-Y131 HydrophobicContact CD2-CE2 4.25Å; W95-Y131 AromaticContact CE2-CD2 3.97Å; W95-Y131 HydrophobicContact CG-CD2 4.18Å; W95-Y131 AromaticContact CG-CE2 3.94Å; W95-Y131 HydrophobicContact CG-CE2 3.94Å; W95-Y131 AromaticContact NE1-CD2 3.96Å; W95-Y131 AromaticContact NE1-CE2 3.59Å; A99-Y131 HydrophobicContact CB-CE1 4.44Å; P100-Y131 VanDerWaalsContact CD-CD1 3.47Å; P100-Y131 HydrophobicContact CG-CD1 3.82Å; P100-Y131 HydrophobicContact CG-CD2 3.93Å; P100-Y131 HydrophobicContact CG-CE1 4.41Å; P100-Y131 HydrophobicContact CG-CG 3.55Å; Y131-V150 WeakPolarHBondContact CA-O 3.43Å; Y131-V150 HydrophobicContact CD1-CB 4.28Å; Y131-V150 HydrophobicContact CD1-CG1 3.92Å; Y131-V150 PolarHBondContact N-O 2.9Å |
| 132 | M | 89.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 11% | 0.108 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 125.3 | 176.5 | 175.2 | -177.6 | 48.8 | 0 | 0 | 111.1 | Y89 R134 V150 | Y89-M132 CarbonylContact O-C 3.58Å; Y89-M132 VanDerWaalsContact O-CA 3.3Å; Y89-M132 WeakPolarHBondContact O-CA 3.17Å; M132-R134 VanDerWaalsContact CE-NH2 3.25Å; M132-R134 PolarHBondContact SD-NH2 3.35Å; M132-V150 HydrophobicContact CB-CB 4.3Å; M132-V150 HydrophobicContact CB-CG2 4.4Å; M132-V150 HydrophobicContact CE-CG2 3.71Å; M132-V150 PolarHBondContact N-O 3.42Å; M132-V150 VanDerWaalsContact N-O 3.11Å; M132-V150 PolarHBondContact O-N 3.2Å |
| 133 | F | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 146.3 | 166.4 | -166.9 | -93.1 | 0 | 0 | 0 | 110.3 | R88 Y89 I108 E117 L120 I121 F124 I130 L135 F148 C149 | R88-F133 WeakPolarHBondContact CA-O 3.27Å; Y89-F133 HydrophobicContact CD1-CB 4.16Å; Y89-F133 PolarHBondContact N-O 3.14Å; Y89-F133 PolarHBondContact O-N 3.48Å; I108-F133 HydrophobicContact CD1-CD2 4.45Å; I108-F133 HydrophobicContact CD1-CE2 3.53Å; I108-F133 HydrophobicContact CD1-CZ 4.11Å; E117-F133 HydrophobicContact CG-CD1 4.25Å; E117-F133 HydrophobicContact CG-CE1 4.45Å; L120-F133 HydrophobicContact CB-CE1 4.28Å; L120-F133 HydrophobicContact CB-CE2 4.25Å; L120-F133 HydrophobicContact CB-CZ 3.7Å; L120-F133 HydrophobicContact CD1-CE1 4.18Å; L120-F133 HydrophobicContact CD1-CZ 3.86Å; L120-F133 HydrophobicContact CG-CZ 4.27Å; I121-F133 HydrophobicContact CD1-CB 4.35Å; I121-F133 HydrophobicContact CD1-CD1 4.49Å; I121-F133 HydrophobicContact CD1-CG 4.46Å; I121-F133 HydrophobicContact CG1-CB 4.29Å; I121-F133 HydrophobicContact CG1-CD1 4.35Å; I121-F133 HydrophobicContact CG1-CD2 4.4Å; I121-F133 HydrophobicContact CG1-CG 4.1Å; F124-F133 AromaticContact CD2-CE2 3.84Å; F124-F133 HydrophobicContact CD2-CE2 3.84Å; F124-F133 HydrophobicContact CE2-CE2 4.18Å; I130-F133 HydrophobicContact CG2-CB 4.23Å; F133-L135 HydrophobicContact CE1-CB 4.2Å; F133-F148 CarbonylContact C-O 3.55Å; F133-C149 HydrophobicContact CD2-CB 3.83Å; F133-C149 HydrophobicContact CE2-CB 4.17Å |
| 134 | R | 90.8 | Very high | 88.2 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 107.2 | 179.3 | -174.4 | -175.2 | -56.8 | 173.9 | 18.4 | 112.5 | Q86 R87 R88 M132 M136 G147 F148 | Q86-R134 HydrophobicContact CB-CG 4.36Å; R87-R134 CarbonylContact O-C 3.52Å; R87-R134 VanDerWaalsContact O-CA 3.26Å; R87-R134 WeakPolarHBondContact O-CA 3.5Å; R88-R134 HydrophobicContact CG-CB 4.45Å; R88-R134 HydrophobicContact CG-CG 3.99Å; M132-R134 VanDerWaalsContact CE-NH2 3.25Å; M132-R134 PolarHBondContact SD-NH2 3.35Å; R134-M136 HydrophobicContact CG-CE 4.18Å; R134-G147 CarbonylContact O-C 3.53Å; R134-G147 WeakPolarHBondContact O-CA 3.24Å; R134-F148 PolarHBondContact N-O 2.69Å; R134-F148 PolarHBondContact O-N 3.22Å |
| 135 | L | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136.6 | 171.9 | -164.6 | 59.4 | 0 | 0 | 0 | 110.5 | Q86 R87 I111 F116 E117 L120 F133 M137 N143 | Q86-L135 WeakPolarHBondContact CA-O 3.4Å; R87-L135 HydrophobicContact CB-CB 4.36Å; R87-L135 PolarHBondContact N-O 2.96Å; R87-L135 PolarHBondContact O-N 2.84Å; I111-L135 HydrophobicContact CD1-CD1 3.68Å; I111-L135 HydrophobicContact CG2-CD1 4.47Å; F116-L135 HydrophobicContact CD1-CD2 4.19Å; E117-L135 WeakPolarHBondContact OE1-CB 3.4Å; L120-L135 HydrophobicContact CD1-CD1 4.06Å; L120-L135 HydrophobicContact CD1-CD2 4.49Å; F133-L135 HydrophobicContact CE1-CB 4.2Å; L135-M137 HydrophobicContact CB-SD 4.26Å; L135-M137 HydrophobicContact CD2-SD 3.82Å; L135-M137 HydrophobicContact CG-SD 3.79Å; L135-N143 HydrophobicContact CD1-CB 4.17Å; L135-N143 HydrophobicContact CD2-CB 3.9Å; L135-N143 HydrophobicContact CG-CB 3.95Å |
| 136 | M | 89.7 | Confident | 88.2 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.7 | 178.2 | -63.6 | -68.7 | 179.8 | 0 | 0 | 109.8 | Q86 R134 R144 F146 F148 | Q86-M136 HydrophobicContact CB-SD 4.43Å; Q86-M136 HydrophobicContact CG-SD 3.69Å; R134-M136 HydrophobicContact CG-CE 4.18Å; M136-R144 HydrophobicContact CB-CB 4.32Å; M136-R144 HydrophobicContact CB-CG 4.4Å; M136-R144 WeakPolarHBondContact O-CG 3.14Å; M136-R144 PolarHBondContact O-N 2.93Å; M136-F146 HydrophobicContact CB-CD2 4.27Å; M136-F146 HydrophobicContact CB-CE1 4.47Å; M136-F146 HydrophobicContact CB-CE2 3.99Å; M136-F146 HydrophobicContact CB-CZ 4.08Å; M136-F146 WeakPolarHBondContact CB-O 3.27Å; M136-F146 HydrophobicContact CG-CD2 3.93Å; M136-F146 HydrophobicContact CG-CE2 3.57Å; M136-F146 HydrophobicContact CG-CZ 4.1Å; M136-F146 PolarHBondContact N-O 3.4Å; M136-F148 HydrophobicContact CE-CD2 3.68Å; M136-F148 HydrophobicContact CE-CE2 3.63Å; M136-F148 HydrophobicContact CG-CE2 4.43Å |
| 137 | M | 87.4 | Confident | 88.3 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 140.1 | -171.5 | -54.5 | -51 | -67.8 | 0 | 0 | 112.3 | G85 R87 F116 L135 G141 N143 R144 | G85-M137 PolarHBondContact O-N 3.46Å; R87-M137 HydrophobicContact CB-CG 4.36Å; R87-M137 HydrophobicContact CG-CG 3.91Å; R87-M137 HydrophobicContact CG-SD 4.37Å; F116-M137 HydrophobicContact CD1-CE 4.28Å; F116-M137 HydrophobicContact CE1-CE 3.81Å; L135-M137 HydrophobicContact CB-SD 4.26Å; L135-M137 HydrophobicContact CD2-SD 3.82Å; L135-M137 HydrophobicContact CG-SD 3.79Å; M137-G141 WeakPolarHBondContact CE-O 3.45Å; M137-N143 HydrophobicContact CE-CB 4.04Å; M137-N143 HydrophobicContact SD-CB 3.81Å; M137-R144 VanDerWaalsContact O-CZ 3.27Å; M137-R144 PolarHBondContact O-NE 2.84Å; M137-R144 PolarHBondContact O-NH2 2.98Å |
| 138 | E | 86 | Confident | 88.4 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | trans | -83 | 160.6 | 168.4 | -175.3 | 164.3 | -109.6 | 0 | 0 | 110 | R113 N140 G141 I142 R144 | R113-E138 IonicContact NH1-OE2 2.73Å; E138-N140 VanDerWaalsContact CB-OD1 3.28Å; E138-N140 WeakPolarHBondContact CB-OD1 3.42Å; E138-N140 WeakPolarHBondContact CG-OD1 3.45Å; E138-N140 PolarHBondContact O-N 3.41Å; E138-N140 VanDerWaalsContact O-N 3.11Å; E138-N140 PolarHBondContact OE2-ND2 3.13Å; E138-G141 PolarHBondContact O-N 2.83Å; E138-I142 WeakPolarHBondContact CB-O 3.16Å; E138-I142 PolarHBondContact N-O 3.47Å; E138-R144 HydrophobicContact CB-CG 4.22Å | ||
| 139 | L | 80.3 | Confident | 88.5 | Confident | 172 Ų | 172 | 41.2 Ų | 41.2 | 90% | 0.901 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -11.2 | -172.4 | -64.7 | 174.2 | 0 | 0 | 0 | 113.9 | G141 | L139-G141 VanDerWaalsContact C-N 3.35Š|
| 140 | N | 81.1 | Confident | 88.6 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 1.5 | 174.3 | 56 | 13.5 | 0 | 0 | 0 | 113.5 | E138 I142 | E138-N140 VanDerWaalsContact CB-OD1 3.28Å; E138-N140 WeakPolarHBondContact CB-OD1 3.42Å; E138-N140 WeakPolarHBondContact CG-OD1 3.45Å; E138-N140 PolarHBondContact O-N 3.41Å; E138-N140 VanDerWaalsContact O-N 3.11Å; E138-N140 PolarHBondContact OE2-ND2 3.13Å; N140-I142 VanDerWaalsContact C-N 3.29Å; N140-I142 HydrophobicContact CB-CG1 4.48Å; N140-I142 PolarHBondContact O-N 3.35Å; N140-I142 VanDerWaalsContact OD1-CB 3.31Å; N140-I142 WeakPolarHBondContact OD1-CB 3.49Å; N140-I142 PolarHBondContact OD1-N 3.49Å |
| 141 | G | 76.8 | Confident | 88.7 | Confident | 41 Ų | 41 | 38.5 Ų | 38.5 | 42% | 0.423 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 82.9 | -2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | M137 E138 L139 | M137-G141 WeakPolarHBondContact CE-O 3.45Å; E138-G141 PolarHBondContact O-N 2.83Å; L139-G141 VanDerWaalsContact C-N 3.35Å |
| 142 | I | 84.5 | Confident | 88.7 | Confident | 51 Ų | 51 | 37.3 Ų | 37.3 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | trans | -83.7 | 148.7 | 174.9 | -51.6 | -179.7 | 0 | 0 | 0 | 108.7 | R113 E138 N140 F575 | R113-I142 HydrophobicContact CB-CG2 3.7Å; R113-I142 HydrophobicContact CG-CG2 4.21Å; R113-I142 VanDerWaalsContact O-CG2 3.31Å; R113-I142 WeakPolarHBondContact O-CG2 3.4Å; E138-I142 WeakPolarHBondContact CB-O 3.16Å; E138-I142 PolarHBondContact N-O 3.47Å; N140-I142 VanDerWaalsContact C-N 3.29Å; N140-I142 HydrophobicContact CB-CG1 4.48Å; N140-I142 PolarHBondContact O-N 3.35Å; N140-I142 VanDerWaalsContact OD1-CB 3.31Å; N140-I142 WeakPolarHBondContact OD1-CB 3.49Å; N140-I142 PolarHBondContact OD1-N 3.49Å; I142-F575 HydrophobicContact CD1-CE1 4.38Å | ||
| 143 | N | 88.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 159 | 173.9 | 82 | 48.6 | 0 | 0 | 0 | 111.8 | P112 R113 C115 L135 M137 G145 | P112-N143 PolarHBondContact O-ND2 3.07Å; R113-N143 PolarHBondContact O-ND2 3.26Å; C115-N143 PolarHBondContact O-ND2 3.01Å; L135-N143 HydrophobicContact CD1-CB 4.17Å; L135-N143 HydrophobicContact CD2-CB 3.9Å; L135-N143 HydrophobicContact CG-CB 3.95Å; M137-N143 HydrophobicContact CE-CB 4.04Å; M137-N143 HydrophobicContact SD-CB 3.81Å; N143-G145 VanDerWaalsContact C-N 3.29Å; N143-G145 PolarHBondContact O-N 3.13Å; N143-G145 WeakPolarHBondContact OD1-CA 3.42Å; N143-G145 PolarHBondContact OD1-N 3.5Å |
| 144 | R | 89.2 | Confident | 88.4 | Confident | 127 Ų | 127 | 45.5 Ų | 45.5 | 48% | 0.479 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 8.2 | -179.9 | -61.1 | -172.9 | -166.4 | -146.4 | -1.9 | 114.4 | M136 M137 E138 F146 | M136-R144 HydrophobicContact CB-CB 4.32Å; M136-R144 HydrophobicContact CB-CG 4.4Å; M136-R144 WeakPolarHBondContact O-CG 3.14Å; M136-R144 PolarHBondContact O-N 2.93Å; M137-R144 VanDerWaalsContact O-CZ 3.27Å; M137-R144 PolarHBondContact O-NE 2.84Å; M137-R144 PolarHBondContact O-NH2 2.98Å; E138-R144 HydrophobicContact CB-CG 4.22Å; R144-F146 VanDerWaalsContact C-N 3.31Å; R144-F146 HydrophobicContact CB-CD1 3.83Å; R144-F146 HydrophobicContact CB-CE1 3.6Å; R144-F146 WeakPolarHBondContact O-CD1 3.2Å |
| 145 | G | 90.3 | Very high | 88.4 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.6 | 9.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | G109 K110 I111 N143 | G109-G145 CarbonylContact C-O 3.56Å; K110-G145 PolarHBondContact N-O 3.36Å; K110-G145 VanDerWaalsContact N-O 3.13Å; I111-G145 PolarHBondContact N-O 3.03Å; I111-G145 WeakPolarHBondContact O-CA 3.47Å; N143-G145 VanDerWaalsContact C-N 3.29Å; N143-G145 PolarHBondContact O-N 3.13Å; N143-G145 WeakPolarHBondContact OD1-CA 3.42Å; N143-G145 PolarHBondContact OD1-N 3.5Å |
| 146 | F | 92.6 | Very high | 88.5 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 30% | 0.303 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 158.6 | 177 | 71.6 | -84.1 | 0 | 0 | 0 | 114.3 | F107 I108 M136 R144 F148 | F107-F146 HydrophobicContact CE2-CB 3.88Å; F107-F146 AromaticContact CE2-CD2 3.78Å; F107-F146 HydrophobicContact CE2-CD2 3.78Å; F107-F146 HydrophobicContact CE2-CG 4.13Å; F107-F146 HydrophobicContact CZ-CB 3.89Å; F107-F146 HydrophobicContact CZ-CG 4.43Å; I108-F146 CarbonylContact O-C 3.59Å; I108-F146 WeakPolarHBondContact O-CA 3.47Å; I108-F146 VanDerWaalsContact O-CB 3.31Å; I108-F146 WeakPolarHBondContact O-CB 3.39Å; M136-F146 HydrophobicContact CB-CD2 4.27Å; M136-F146 HydrophobicContact CB-CE1 4.47Å; M136-F146 HydrophobicContact CB-CE2 3.99Å; M136-F146 HydrophobicContact CB-CZ 4.08Å; M136-F146 WeakPolarHBondContact CB-O 3.27Å; M136-F146 HydrophobicContact CG-CD2 3.93Å; M136-F146 HydrophobicContact CG-CE2 3.57Å; M136-F146 HydrophobicContact CG-CZ 4.1Å; M136-F146 PolarHBondContact N-O 3.4Å; R144-F146 VanDerWaalsContact C-N 3.31Å; R144-F146 HydrophobicContact CB-CD1 3.83Å; R144-F146 HydrophobicContact CB-CE1 3.6Å; R144-F146 WeakPolarHBondContact O-CD1 3.2Å; F146-F148 AromaticContact CD2-CE2 4Å; F146-F148 HydrophobicContact CD2-CE2 4Å; F146-F148 HydrophobicContact CE2-CE2 4.04Å |
| 147 | G | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | I108 R134 | I108-G147 PolarHBondContact N-O 2.97Å; I108-G147 PolarHBondContact O-N 3.37Å; R134-G147 CarbonylContact O-C 3.53Å; R134-G147 WeakPolarHBondContact O-CA 3.24Å |
| 148 | F | 92.6 | Very high | 88.7 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 17% | 0.171 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.6 | -178.8 | -63 | -99.1 | 0 | 0 | 0 | 109.9 | E105 V106 F107 F133 R134 M136 F146 | E105-F148 HydrophobicContact CG-CB 4.15Å; E105-F148 HydrophobicContact CG-CD1 4.23Å; E105-F148 VanDerWaalsContact OE2-CD1 3.29Å; E105-F148 WeakPolarHBondContact OE2-CD1 3.24Å; V106-F148 CarbonylContact O-C 3.49Å; V106-F148 VanDerWaalsContact O-CA 3.32Å; V106-F148 WeakPolarHBondContact O-CA 3.19Å; F107-F148 HydrophobicContact CB-CE1 4.41Å; F107-F148 HydrophobicContact CD2-CD1 4.34Å; F107-F148 AromaticContact CD2-CE1 3.77Å; F107-F148 HydrophobicContact CD2-CE1 3.77Å; F107-F148 HydrophobicContact CD2-CE2 4.39Å; F107-F148 AromaticContact CD2-CZ 3.79Å; F107-F148 HydrophobicContact CD2-CZ 3.79Å; F107-F148 HydrophobicContact CE2-CZ 4.28Å; F133-F148 CarbonylContact C-O 3.55Å; R134-F148 PolarHBondContact N-O 2.69Å; R134-F148 PolarHBondContact O-N 3.22Å; M136-F148 HydrophobicContact CE-CD2 3.68Å; M136-F148 HydrophobicContact CE-CE2 3.63Å; M136-F148 HydrophobicContact CG-CE2 4.43Å; F146-F148 AromaticContact CD2-CE2 4Å; F146-F148 HydrophobicContact CD2-CE2 4Å; F146-F148 HydrophobicContact CE2-CE2 4.04Å |
| 149 | C | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116.9 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | E105 V106 I108 F133 | E105-C149 CarbonylContact C-O 3.6Å; E105-C149 WeakPolarHBondContact CA-O 3.45Å; V106-C149 PolarHBondContact N-O 3.13Å; V106-C149 PolarHBondContact O-N 3.36Å; I108-C149 HydrophobicContact CD1-CB 3.73Å; F133-C149 HydrophobicContact CD2-CB 3.83Å; F133-C149 HydrophobicContact CE2-CB 4.17Å |
| 150 | V | 91.9 | Very high | 89.6 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.4 | 173.4 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | P100 C104 E105 Y131 M132 | P100-V150 HydrophobicContact CB-CG1 4.13Å; P100-V150 HydrophobicContact CG-CG1 4.1Å; C104-V150 CarbonylContact O-C 3.54Å; C104-V150 WeakPolarHBondContact O-CA 3.39Å; E105-V150 HydrophobicContact CB-CG2 4.07Å; E105-V150 HydrophobicContact CG-CG2 3.84Å; Y131-V150 WeakPolarHBondContact CA-O 3.43Å; Y131-V150 HydrophobicContact CD1-CB 4.28Å; Y131-V150 HydrophobicContact CD1-CG1 3.92Å; Y131-V150 PolarHBondContact N-O 2.9Å; M132-V150 HydrophobicContact CB-CB 4.3Å; M132-V150 HydrophobicContact CB-CG2 4.4Å; M132-V150 HydrophobicContact CE-CG2 3.71Å; M132-V150 PolarHBondContact N-O 3.42Å; M132-V150 VanDerWaalsContact N-O 3.11Å; M132-V150 PolarHBondContact O-N 3.2Å |
| 151 | Y | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 165 | 169.4 | -73.5 | -82.5 | 0 | 0 | 0 | 110.8 | P100 C104 V106 F124 I127 G128 I130 N153 D156 A160 | P100-Y151 WeakPolarHBondContact CB-O 3.31Å; P100-Y151 WeakPolarHBondContact CG-O 3.31Å; C104-Y151 PolarHBondContact O-N 3.44Å; V106-Y151 HydrophobicContact CG2-CD2 3.97Å; V106-Y151 HydrophobicContact CG2-CE2 3.89Å; F124-Y151 WeakPolarHBondContact CA-OH 3.25Å; F124-Y151 WeakPolarHBondContact CB-OH 3.4Å; F124-Y151 WeakPolarHBondContact CD1-OH 3.05Å; F124-Y151 WeakPolarHBondContact O-CE1 3.34Å; F124-Y151 PolarHBondContact O-OH 2.69Å; I127-Y151 HydrophobicContact CB-CE1 4.29Å; G128-Y151 WeakPolarHBondContact O-CE1 3.5Å; I130-Y151 HydrophobicContact CG1-CE1 4.16Å; Y151-N153 VanDerWaalsContact C-N 3.32Å; Y151-D156 HydrophobicContact CD1-CB 4.14Å; Y151-D156 HydrophobicContact CG-CB 4.27Å; Y151-A160 HydrophobicContact CE2-CB 3.62Å |
| 152 | T | 89.1 | Confident | 90.8 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -68.7 | -34.2 | 171.9 | 67 | 0 | 0 | 0 | 0 | 112 | W95 P129 | W95-T152 HydrophobicContact CE3-CG2 4.34Å; W95-T152 HydrophobicContact CH2-CG2 3.31Å; W95-T152 HydrophobicContact CZ2-CG2 4.17Å; W95-T152 HydrophobicContact CZ3-CG2 3.41Å; W95-T152 VanDerWaalsContact CZ3-CG2 3.41Å; P129-T152 HydrophobicContact CB-CG2 4.13Å; P129-T152 HydrophobicContact CG-CG2 3.98Å; P129-T152 PolarHBondContact O-N 3.09Å |
| 153 | N | 88.7 | Confident | 91.2 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | trans | -118.4 | 149.4 | -170.9 | -48 | -38.9 | 0 | 0 | 0 | 111.9 | Y151 E155 D156 T157 | Y151-N153 VanDerWaalsContact C-N 3.32Å; N153-E155 VanDerWaalsContact C-N 3.26Å; N153-E155 PolarHBondContact O-N 3.44Å; N153-D156 HydrophobicContact CB-CB 4.5Å; N153-D156 WeakPolarHBondContact CB-OD2 3.46Å; N153-D156 PolarHBondContact ND2-OD2 3.24Å; N153-T157 PolarHBondContact O-N 3.31Å; N153-T157 PolarHBondContact O-OG1 2.91Å | ||
| 154 | R | 88.4 | Confident | 91.3 | Very high | 120 Ų | 120 | 51.6 Ų | 51.6 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -73 | -24.5 | 175.2 | -179.8 | 176.5 | -79 | -169.2 | -6.7 | 111.7 | R102 C104 T157 K158 | R102-R154 PolarHBondContact O-NH2 3.03Å; C104-R154 PolarHBondContact SG-N 3.17Å; C104-R154 VanDerWaalsContact SG-N 3.39Å; R154-T157 WeakPolarHBondContact O-CB 3.42Å; R154-T157 PolarHBondContact O-N 3.35Å; R154-K158 WeakPolarHBondContact O-CG 3.49Å; R154-K158 PolarHBondContact O-N 2.94Å |
| 155 | E | 90.2 | Very high | 91.3 | Very high | 105 Ų | 105 | 47.9 Ų | 47.9 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -73.5 | -45.6 | -177.4 | -71.9 | 48.9 | -113.7 | 0 | 0 | 109.9 | N153 T157 K158 R159 | N153-E155 VanDerWaalsContact C-N 3.26Å; N153-E155 PolarHBondContact O-N 3.44Å; E155-T157 VanDerWaalsContact C-N 3.31Å; E155-T157 PolarHBondContact O-N 3.14Å; E155-K158 PolarHBondContact O-N 3.2Å; E155-K158 IonicContact OE1-NZ 3.7Å; E155-R159 WeakPolarHBondContact O-CG 3.35Å; E155-R159 PolarHBondContact O-N 3.31Å |
| 156 | D | 92.3 | Very high | 91.1 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.3 | -34.5 | 172.3 | -59.8 | -45 | 0 | 0 | 0 | 111.7 | I127 Y151 N153 K158 R159 A160 | I127-D156 HydrophobicContact CG2-CB 4.33Å; I127-D156 WeakPolarHBondContact CG2-O 3.34Å; Y151-D156 HydrophobicContact CD1-CB 4.14Å; Y151-D156 HydrophobicContact CG-CB 4.27Å; N153-D156 HydrophobicContact CB-CB 4.5Å; N153-D156 WeakPolarHBondContact CB-OD2 3.46Å; N153-D156 PolarHBondContact ND2-OD2 3.24Å; D156-K158 PolarHBondContact O-N 2.83Å; D156-R159 PolarHBondContact O-N 3.1Å; D156-R159 IonicContact OD1-NH1 3.65Å; D156-R159 PolarHBondContact OD1-NH1 2.88Å; D156-A160 WeakPolarHBondContact O-CB 3.43Å; D156-A160 PolarHBondContact O-N 3.33Å |
| 157 | T | 91.3 | Very high | 91 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 171.6 | -58.3 | 0 | 0 | 0 | 0 | 112 | C104 V106 N153 R154 E155 V161 L179 | C104-T157 VanDerWaalsContact C-OG1 3.29Å; C104-T157 VanDerWaalsContact CA-OG1 3.26Å; C104-T157 WeakPolarHBondContact CA-OG1 3.28Å; C104-T157 PolarHBondContact O-OG1 3.31Å; V106-T157 HydrophobicContact CG2-CG2 3.66Å; N153-T157 PolarHBondContact O-N 3.31Å; N153-T157 PolarHBondContact O-OG1 2.91Å; R154-T157 WeakPolarHBondContact O-CB 3.42Å; R154-T157 PolarHBondContact O-N 3.35Å; E155-T157 VanDerWaalsContact C-N 3.31Å; E155-T157 PolarHBondContact O-N 3.14Å; T157-V161 PolarHBondContact O-N 2.99Å; T157-L179 HydrophobicContact CG2-CD2 3.77Å |
| 158 | K | 90.8 | Very high | 90.9 | Very high | 99 Ų | 99 | 56.8 Ų | 56.8 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 174.5 | -72.4 | 166.2 | -178.7 | 165.2 | 0 | 111.7 | R154 E155 D156 V161 Q162 | R154-K158 WeakPolarHBondContact O-CG 3.49Å; R154-K158 PolarHBondContact O-N 2.94Å; E155-K158 PolarHBondContact O-N 3.2Å; E155-K158 IonicContact OE1-NZ 3.7Å; D156-K158 PolarHBondContact O-N 2.83Å; K158-V161 PolarHBondContact O-N 3.22Å; K158-Q162 WeakPolarHBondContact O-CG 3.14Å; K158-Q162 PolarHBondContact O-N 2.85Å |
| 159 | R | 92.9 | Very high | 90.6 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.6 | -77.8 | 179.8 | 55.9 | -127 | -12.8 | 112.3 | I127 E155 D156 V161 Q162 E163 | I127-R159 HydrophobicContact CG2-CB 3.78Å; I127-R159 PolarHBondContact O-NH1 3.3Å; I127-R159 PolarHBondContact O-NH2 3.11Å; E155-R159 WeakPolarHBondContact O-CG 3.35Å; E155-R159 PolarHBondContact O-N 3.31Å; D156-R159 PolarHBondContact O-N 3.1Å; D156-R159 IonicContact OD1-NH1 3.65Å; D156-R159 PolarHBondContact OD1-NH1 2.88Å; R159-V161 PolarHBondContact O-N 3.03Å; R159-Q162 CarbonylContact O-C 3.53Å; R159-Q162 WeakPolarHBondContact O-CA 3.48Å; R159-Q162 PolarHBondContact O-N 3.05Å; R159-E163 WeakPolarHBondContact CB-OE1 3.08Å; R159-E163 IonicContact CZ-OE1 3.66Å; R159-E163 IonicContact NE-OE1 2.83Å; R159-E163 PolarHBondContact NE-OE1 2.91Å; R159-E163 IonicContact NH2-OE1 3.65Å; R159-E163 PolarHBondContact NH2-OE1 3.32Å; R159-E163 IonicContact NH2-OE2 2.6Å; R159-E163 PolarHBondContact NH2-OE2 3.45Å; R159-E163 WeakPolarHBondContact O-CB 3.33Å; R159-E163 WeakPolarHBondContact O-CG 3.48Å; R159-E163 PolarHBondContact O-N 3.12Å |
| 160 | A | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.7 | -37.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V106 I127 Y151 D156 Q162 L164 | V106-A160 HydrophobicContact CG2-CB 4.22Å; I127-A160 HydrophobicContact CG1-CB 4.25Å; I127-A160 HydrophobicContact CG2-CB 4.14Å; Y151-A160 HydrophobicContact CE2-CB 3.62Å; D156-A160 WeakPolarHBondContact O-CB 3.43Å; D156-A160 PolarHBondContact O-N 3.33Å; A160-Q162 VanDerWaalsContact C-N 3.33Å; A160-L164 HydrophobicContact CB-CD1 4.44Å; A160-L164 WeakPolarHBondContact O-CA 3.32Å; A160-L164 VanDerWaalsContact O-CB 3.26Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 PolarHBondContact O-N 2.92Å |
| 161 | V | 92.3 | Very high | 89.8 | Confident | 35 Ų | 35 | 68.9 Ų | 68.9 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.3 | -25 | 176 | 175.1 | 0 | 0 | 0 | 0 | 112.8 | V106 T157 K158 R159 N165 V177 C178 L179 | V106-V161 HydrophobicContact CG1-CG2 4.09Å; V106-V161 HydrophobicContact CG2-CG2 4.48Å; T157-V161 PolarHBondContact O-N 2.99Å; K158-V161 PolarHBondContact O-N 3.22Å; R159-V161 PolarHBondContact O-N 3.03Å; V161-N165 VanDerWaalsContact O-CB 3.24Å; V161-N165 WeakPolarHBondContact O-CB 3.48Å; V161-V177 HydrophobicContact CG2-CG1 4.25Å; V161-C178 VanDerWaalsContact CG2-C 3.49Å; V161-L179 HydrophobicContact CG2-CD2 3.86Å; V161-L179 HydrophobicContact CG2-CG 4.09Å |
| 162 | Q | 90.4 | Very high | 89.4 | Confident | 157 Ų | 157 | 72.4 Ų | 72.4 | 73% | 0.734 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -85.7 | -40.8 | 176.3 | -69.3 | 174 | -12 | 0 | 0 | 112.7 | K158 R159 A160 | K158-Q162 WeakPolarHBondContact O-CG 3.14Å; K158-Q162 PolarHBondContact O-N 2.85Å; R159-Q162 CarbonylContact O-C 3.53Å; R159-Q162 WeakPolarHBondContact O-CA 3.48Å; R159-Q162 PolarHBondContact O-N 3.05Å; A160-Q162 VanDerWaalsContact C-N 3.33Å |
| 163 | E | 91.8 | Very high | 89.3 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -91.5 | -32.9 | -172 | -64 | 177 | -132.5 | 0 | 0 | 112.9 | I127 R159 | I127-E163 HydrophobicContact CD1-CB 3.72Å; I127-E163 HydrophobicContact CD1-CG 4.29Å; I127-E163 VanDerWaalsContact CD1-OE2 3.28Å; I127-E163 WeakPolarHBondContact CD1-OE2 3.27Å; R159-E163 WeakPolarHBondContact CB-OE1 3.08Å; R159-E163 IonicContact CZ-OE1 3.66Å; R159-E163 IonicContact NE-OE1 2.83Å; R159-E163 PolarHBondContact NE-OE1 2.91Å; R159-E163 IonicContact NH2-OE1 3.65Å; R159-E163 PolarHBondContact NH2-OE1 3.32Å; R159-E163 IonicContact NH2-OE2 2.6Å; R159-E163 PolarHBondContact NH2-OE2 3.45Å; R159-E163 WeakPolarHBondContact O-CB 3.33Å; R159-E163 WeakPolarHBondContact O-CG 3.48Å; R159-E163 PolarHBondContact O-N 3.12Å |
| 164 | L | 90.9 | Very high | 89.4 | Confident | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -106 | -5 | -174 | -55.2 | 179.2 | 0 | 0 | 0 | 114.9 | V123 F124 I127 A160 N166 Y167 V177 | V123-L164 HydrophobicContact CG1-CD1 4.2Å; V123-L164 HydrophobicContact CG1-CD2 3.78Å; F124-L164 HydrophobicContact CD1-CD1 3.37Å; F124-L164 HydrophobicContact CE1-CD1 3.51Å; F124-L164 HydrophobicContact CG-CD1 4.15Å; F124-L164 HydrophobicContact CZ-CD1 4.37Å; I127-L164 HydrophobicContact CD1-CD1 4.25Å; I127-L164 HydrophobicContact CD1-CD2 4.17Å; I127-L164 HydrophobicContact CD1-CG 3.98Å; I127-L164 HydrophobicContact CG1-CD1 3.64Å; I127-L164 HydrophobicContact CG1-CD2 4.42Å; I127-L164 HydrophobicContact CG1-CG 3.94Å; A160-L164 HydrophobicContact CB-CD1 4.44Å; A160-L164 WeakPolarHBondContact O-CA 3.32Å; A160-L164 VanDerWaalsContact O-CB 3.26Å; A160-L164 WeakPolarHBondContact O-CB 3.43Å; A160-L164 PolarHBondContact O-N 2.92Å; L164-N166 PolarHBondContact O-N 3.15Å; L164-Y167 HydrophobicContact CD2-CD2 4.07Å; L164-Y167 HydrophobicContact CD2-CG 4.38Å; L164-Y167 WeakPolarHBondContact O-CB 3.44Å; L164-Y167 PolarHBondContact O-N 3.35Å; L164-V177 HydrophobicContact CB-CG1 4.49Å; L164-V177 HydrophobicContact CB-CG2 4.03Å; L164-V177 VanDerWaalsContact O-CG2 3.23Å; L164-V177 WeakPolarHBondContact O-CG2 3.36Å |
| 165 | N | 88.4 | Confident | 89.6 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 126.1 | 178.5 | -174.6 | 37.4 | 0 | 0 | 0 | 111.2 | V161 Y167 V177 | V161-N165 VanDerWaalsContact O-CB 3.24Å; V161-N165 WeakPolarHBondContact O-CB 3.48Å; N165-Y167 VanDerWaalsContact C-N 3.28Å; N165-V177 HydrophobicContact CB-CB 4.07Å; N165-V177 PolarHBondContact OD1-N 3.41Å; N165-V177 PolarHBondContact OD1-O 3.02Å |
| 166 | N | 88 | Confident | 89.6 | Confident | 77 Ų | 77 | 64 Ų | 64 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 18.6 | -166.3 | -54.8 | -55.8 | 0 | 0 | 0 | 115.1 | L164 T174 I175 | L164-N166 PolarHBondContact O-N 3.15Å; N166-T174 WeakPolarHBondContact O-CB 3.43Å; N166-T174 WeakPolarHBondContact O-CG2 3.5Å; N166-I175 WeakPolarHBondContact CA-O 3.43Å; N166-I175 PolarHBondContact N-O 3.48Å |
| 167 | Y | 89.4 | Confident | 89.6 | Confident | 86 Ų | 86 | 63 Ų | 63 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | trans | -62.3 | 135.7 | 173.4 | -175.9 | -86.2 | 0 | 0 | 0 | 112 | V123 L164 N165 I169 T174 I175 | V123-Y167 HydrophobicContact CG1-CD1 3.98Å; V123-Y167 HydrophobicContact CG1-CE1 3.79Å; V123-Y167 HydrophobicContact CG1-CG 4.46Å; V123-Y167 HydrophobicContact CG2-CE1 3.98Å; L164-Y167 HydrophobicContact CD2-CD2 4.07Å; L164-Y167 HydrophobicContact CD2-CG 4.38Å; L164-Y167 WeakPolarHBondContact O-CB 3.44Å; L164-Y167 PolarHBondContact O-N 3.35Å; N165-Y167 VanDerWaalsContact C-N 3.28Å; Y167-I169 HydrophobicContact CD1-CG1 3.97Å; Y167-I169 HydrophobicContact CE1-CG1 4.29Å; Y167-I169 PolarHBondContact O-N 3.47Å; Y167-T174 CarbonylContact O-C 3.5Å; Y167-T174 VanDerWaalsContact O-CA 3.23Å; Y167-T174 WeakPolarHBondContact O-CA 3.45Å; Y167-I175 WeakPolarHBondContact O-CG1 3.42Å; Y167-I175 PolarHBondContact O-N 3.2Å | ||
| 168 | E | 90 | Very high | 89.5 | Confident | 109 Ų | 109 | 65 Ų | 65 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 95.8 | -177.6 | -171.1 | 176.9 | -167.8 | 0 | 0 | 111.3 | R170 K171 G172 T174 | E168-R170 VanDerWaalsContact CG-O 3.32Å; E168-R170 WeakPolarHBondContact CG-O 3.05Å; E168-K171 VanDerWaalsContact OE1-CA 3.25Å; E168-K171 WeakPolarHBondContact OE1-CA 3.5Å; E168-G172 PolarHBondContact OE1-N 3.4Å; E168-T174 HydrophobicContact CB-CG2 4.01Å; E168-T174 HydrophobicContact CG-CG2 4.4Å |
| 169 | I | 87.6 | Confident | 89.4 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 16% | 0.159 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -40.7 | 177.5 | -58.1 | -175.6 | 0 | 0 | 0 | 110.9 | E119 L120 Y167 K173 I175 | E119-I169 HydrophobicContact CB-CG2 4.27Å; L120-I169 HydrophobicContact CD2-CD1 3.51Å; Y167-I169 HydrophobicContact CD1-CG1 3.97Å; Y167-I169 HydrophobicContact CE1-CG1 4.29Å; Y167-I169 PolarHBondContact O-N 3.47Å; I169-K173 PolarHBondContact N-O 3.38Å; I169-I175 HydrophobicContact CD1-CB 4.49Å; I169-I175 HydrophobicContact CD1-CD1 4.1Å; I169-I175 HydrophobicContact CD1-CG1 4.23Å; I169-I175 HydrophobicContact CD1-CG2 3.5Å; I169-I175 VanDerWaalsContact CD1-CG2 3.5Å; I169-I175 HydrophobicContact CG1-CD1 4.4Å; I169-I175 HydrophobicContact CG1-CG1 4.27Å; I169-I175 HydrophobicContact CG1-CG2 4.13Å |
| 170 | R | 84.6 | Confident | 89 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 26% | 0.26 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.9 | 177.6 | -60.6 | -173.1 | -175.7 | 168.8 | -0 | 109.3 | D114 E119 E168 G172 K173 | D114-R170 VanDerWaalsContact O-CZ 3.26Å; D114-R170 PolarHBondContact O-NH1 3.36Å; D114-R170 PolarHBondContact O-NH2 3.45Å; D114-R170 IonicContact OD2-CZ 2.59Å; D114-R170 IonicContact OD2-NH1 3.82Å; D114-R170 PolarHBondContact OD2-NH1 2.95Å; E119-R170 VanDerWaalsContact CD-NE 3.33Å; E119-R170 IonicContact OE1-CZ 2.72Å; E119-R170 IonicContact OE1-NE 3.28Å; E119-R170 PolarHBondContact OE1-NE 2.79Å; E119-R170 IonicContact OE1-NH2 2.73Å; E119-R170 PolarHBondContact OE1-NH2 3.19Å; E119-R170 IonicContact OE2-CZ 2.83Å; E119-R170 VanDerWaalsContact OE2-CZ 3.28Å; E119-R170 IonicContact OE2-NE 3.94Å; E119-R170 PolarHBondContact OE2-NE 3.18Å; E119-R170 IonicContact OE2-NH2 2.74Å; E119-R170 PolarHBondContact OE2-NH2 3.37Å; E168-R170 VanDerWaalsContact CG-O 3.32Å; E168-R170 WeakPolarHBondContact CG-O 3.05Å; R170-G172 PolarHBondContact O-N 3.24Å; R170-G172 VanDerWaalsContact O-N 3.08Å; R170-K173 HydrophobicContact CB-CB 4.47Å; R170-K173 WeakPolarHBondContact O-CA 3.31Å; R170-K173 PolarHBondContact O-N 2.89Å |
| 171 | K | 83 | Confident | 88.3 | Confident | 207 Ų | 207 | 66.3 Ų | 66.3 | 90% | 0.9 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | 113.3 | -178.3 | -64.8 | -178.8 | 179.9 | 179.1 | 0 | 112.2 | E168 | E168-K171 VanDerWaalsContact OE1-CA 3.25Å; E168-K171 WeakPolarHBondContact OE1-CA 3.5Å |
| 172 | G | 83 | Confident | 87.6 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 76% | 0.763 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 8.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | E168 R170 | E168-G172 PolarHBondContact OE1-N 3.4Å; R170-G172 PolarHBondContact O-N 3.24Å; R170-G172 VanDerWaalsContact O-N 3.08Å |
| 173 | K | 87.2 | Confident | 87.2 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 34% | 0.335 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 102.8 | 179.1 | -59.9 | -171 | -174.6 | 175.2 | 0 | 110.9 | P112 D114 I169 R170 | P112-K173 HydrophobicContact CB-CD 3.65Å; P112-K173 HydrophobicContact CG-CB 4.12Å; P112-K173 HydrophobicContact CG-CD 3.66Å; D114-K173 IonicContact OD1-NZ 3.64Å; D114-K173 PolarHBondContact OD1-NZ 2.91Å; D114-K173 IonicContact OD2-NZ 2.69Å; D114-K173 PolarHBondContact OD2-NZ 2.99Å; I169-K173 PolarHBondContact N-O 3.38Å; R170-K173 HydrophobicContact CB-CB 4.47Å; R170-K173 WeakPolarHBondContact O-CA 3.31Å; R170-K173 PolarHBondContact O-N 2.89Å |
| 174 | T | 90.8 | Very high | 87 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.1 | 177.1 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | K110 N166 Y167 E168 | K110-T174 WeakPolarHBondContact CB-O 3.23Å; N166-T174 WeakPolarHBondContact O-CB 3.43Å; N166-T174 WeakPolarHBondContact O-CG2 3.5Å; Y167-T174 CarbonylContact O-C 3.5Å; Y167-T174 VanDerWaalsContact O-CA 3.23Å; Y167-T174 WeakPolarHBondContact O-CA 3.45Å; E168-T174 HydrophobicContact CB-CG2 4.01Å; E168-T174 HydrophobicContact CG-CG2 4.4Å |
| 175 | I | 92.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 141.9 | 172.9 | 49.2 | 162.7 | 0 | 0 | 0 | 111.5 | I108 I111 F124 N166 Y167 I169 V177 | I108-I175 HydrophobicContact CG2-CB 4.43Å; I108-I175 HydrophobicContact CG2-CG2 4.42Å; I111-I175 HydrophobicContact CG1-CG2 4.41Å; F124-I175 HydrophobicContact CE2-CD1 4.27Å; F124-I175 HydrophobicContact CZ-CD1 3.71Å; N166-I175 WeakPolarHBondContact CA-O 3.43Å; N166-I175 PolarHBondContact N-O 3.48Å; Y167-I175 WeakPolarHBondContact O-CG1 3.42Å; Y167-I175 PolarHBondContact O-N 3.2Å; I169-I175 HydrophobicContact CD1-CB 4.49Å; I169-I175 HydrophobicContact CD1-CD1 4.1Å; I169-I175 HydrophobicContact CD1-CG1 4.23Å; I169-I175 HydrophobicContact CD1-CG2 3.5Å; I169-I175 VanDerWaalsContact CD1-CG2 3.5Å; I169-I175 HydrophobicContact CG1-CD1 4.4Å; I169-I175 HydrophobicContact CG1-CG1 4.27Å; I169-I175 HydrophobicContact CG1-CG2 4.13Å; I175-V177 HydrophobicContact CB-CG2 4.45Å; I175-V177 HydrophobicContact CD1-CG2 3.64Å; I175-V177 HydrophobicContact CG1-CG2 4.07Å |
| 176 | G | 91.2 | Very high | 87.3 | Confident | 11 Ų | 11 | 56 Ų | 56 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.2 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | I108 G109 | I108-G176 WeakPolarHBondContact CA-O 3.25Å; G109-G176 PolarHBondContact N-O 3.23Å; G109-G176 PolarHBondContact O-N 3.19Å |
| 177 | V | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.2 | -175.1 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | V106 F124 V161 L164 N165 I175 | V106-V177 HydrophobicContact CG1-CG1 3.28Å; F124-V177 HydrophobicContact CE1-CG1 4.31Å; F124-V177 HydrophobicContact CE1-CG2 4.35Å; F124-V177 HydrophobicContact CZ-CG2 4.33Å; V161-V177 HydrophobicContact CG2-CG1 4.25Å; L164-V177 HydrophobicContact CB-CG1 4.49Å; L164-V177 HydrophobicContact CB-CG2 4.03Å; L164-V177 VanDerWaalsContact O-CG2 3.23Å; L164-V177 WeakPolarHBondContact O-CG2 3.36Å; N165-V177 HydrophobicContact CB-CB 4.07Å; N165-V177 PolarHBondContact OD1-N 3.41Å; N165-V177 PolarHBondContact OD1-O 3.02Å; I175-V177 HydrophobicContact CB-CG2 4.45Å; I175-V177 HydrophobicContact CD1-CG2 3.64Å; I175-V177 HydrophobicContact CG1-CG2 4.07Å |
| 178 | C | 89.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.3 | -172.7 | -70.5 | 0 | 0 | 0 | 0 | 110.7 | V106 F107 V161 S180 | V106-C178 CarbonylContact C-O 3.23Å; V106-C178 WeakPolarHBondContact CA-O 3.36Å; V106-C178 WeakPolarHBondContact CG1-O 3.47Å; F107-C178 PolarHBondContact N-O 3.07Å; F107-C178 PolarHBondContact O-N 3.16Å; V161-C178 VanDerWaalsContact CG2-C 3.49Å; C178-S180 PolarHBondContact O-N 3.45Å |
| 179 | L | 88.3 | Confident | 87.8 | Confident | 93 Ų | 93 | 46.5 Ų | 46.5 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 132.1 | 172.1 | -64.2 | 174.2 | 0 | 0 | 0 | 109.5 | T157 V161 | T157-L179 HydrophobicContact CG2-CD2 3.77Å; V161-L179 HydrophobicContact CG2-CD2 3.86Å; V161-L179 HydrophobicContact CG2-CG 4.09Å |
| 180 | S | 84 | Confident | 87.7 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | trans | -71 | 132.6 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 109.9 | E105 C178 D182 | E105-S180 WeakPolarHBondContact O-CB 3.41Å; E105-S180 PolarHBondContact O-N 3.1Å; E105-S180 VanDerWaalsContact OE2-CB 3.27Å; E105-S180 WeakPolarHBondContact OE2-CB 3.4Å; E105-S180 PolarHBondContact OE2-OG 3.2Å; C178-S180 PolarHBondContact O-N 3.45Å; S180-D182 PolarHBondContact O-N 3.21Å | ||
| 181 | V | 78.2 | Confident | 88 | Confident | 101 Ų | 101 | 43.8 Ų | 43.8 | 61% | 0.612 | 25% | 0.254 | S | S | * | . | trans | -94.2 | 98.9 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | N183 P266 | V181-N183 PolarHBondContact O-N 3.06Å; V181-P266 HydrophobicContact CG1-CB 3.91Å; V181-P266 HydrophobicContact CG1-CG 4.03Å | ||
| 182 | D | 78.1 | Confident | 88.3 | Confident | 54 Ų | 54 | 34.6 Ų | 34.6 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | trans | -59.7 | 68.3 | 174.9 | -98.7 | -47.5 | 0 | 0 | 0 | 111.9 | R102 G103 S180 C184 | R102-D182 WeakPolarHBondContact CA-OD2 3.49Å; R102-D182 WeakPolarHBondContact CB-OD2 3.13Å; G103-D182 PolarHBondContact N-OD2 3.02Å; G103-D182 VanDerWaalsContact N-OD2 3.16Å; S180-D182 PolarHBondContact O-N 3.21Å; D182-C184 VanDerWaalsContact C-N 3.29Å; D182-C184 PolarHBondContact O-N 3.24Å; D182-C184 PolarHBondContact O-SG 3.42Å; D182-C184 VanDerWaalsContact O-SG 3.34Å | ||
| 183 | N | 82.3 | Confident | 88.6 | Confident | 24 Ų | 24 | 37 Ų | 37 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | trans | -72 | 87.3 | -178.2 | -164.1 | -15.7 | 0 | 0 | 0 | 110.2 | V181 R185 H237 W263 A264 | V181-N183 PolarHBondContact O-N 3.06Å; N183-R185 VanDerWaalsContact C-N 3.35Å; N183-R185 PolarHBondContact OD1-N 2.79Å; N183-R185 PolarHBondContact OD1-O 3.41Å; N183-R185 VanDerWaalsContact OD1-O 3.1Å; N183-H237 PolarHBondContact O-ND1 3.38Å; N183-W263 HydrophobicContact CB-CE3 4.33Å; N183-W263 WeakPolarHBondContact O-CZ3 3.32Å; N183-A264 PolarHBondContact ND2-O 3.21Å | ||
| 184 | C | 88.1 | Confident | 88.7 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | trans | -94.2 | 8.4 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | D182 Y234 S236 H237 | D182-C184 VanDerWaalsContact C-N 3.29Å; D182-C184 PolarHBondContact O-N 3.24Å; D182-C184 PolarHBondContact O-SG 3.42Å; D182-C184 VanDerWaalsContact O-SG 3.34Å; C184-Y234 PolarHBondContact O-N 2.87Å; C184-S236 VanDerWaalsContact SG-C 3.56Å; C184-H237 PolarHBondContact SG-N 2.87Å | ||
| 185 | R | 91.8 | Very high | 88.6 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.5 | -168.4 | -160.5 | -175.8 | -154.5 | 169.3 | 7 | 110.3 | N183 I215 F231 I232 A264 E267 | N183-R185 VanDerWaalsContact C-N 3.35Å; N183-R185 PolarHBondContact OD1-N 2.79Å; N183-R185 PolarHBondContact OD1-O 3.41Å; N183-R185 VanDerWaalsContact OD1-O 3.1Å; R185-I215 VanDerWaalsContact NH2-CD1 3.35Å; R185-F231 HydrophobicContact CG-CB 4.23Å; R185-I232 CarbonylContact C-O 3.57Å; R185-I232 VanDerWaalsContact CA-O 3.29Å; R185-I232 WeakPolarHBondContact CA-O 3.49Å; R185-A264 HydrophobicContact CB-CB 3.88Å; R185-A264 HydrophobicContact CG-CB 3.82Å; R185-A264 VanDerWaalsContact O-CB 3.23Å; R185-A264 WeakPolarHBondContact O-CB 3.3Å; R185-A264 PolarHBondContact O-N 2.79Å; R185-E267 IonicContact CZ-OE2 2.81Å; R185-E267 IonicContact NH1-OE2 2.74Å; R185-E267 PolarHBondContact NH1-OE2 2.99Å; R185-E267 IonicContact NH2-OE2 2.75Å |
| 186 | L | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 142.6 | 172.9 | -60.5 | -175.1 | 0 | 0 | 0 | 110.6 | F231 I232 Y234 A240 A243 R244 V261 D262 W263 | L186-F231 CarbonylContact O-C 3.49Å; L186-F231 VanDerWaalsContact O-CA 3.26Å; L186-F231 WeakPolarHBondContact O-CA 3.25Å; L186-I232 PolarHBondContact N-O 3.06Å; L186-I232 PolarHBondContact O-N 3.07Å; L186-Y234 HydrophobicContact CB-CE2 4.32Å; L186-Y234 HydrophobicContact CD1-CD2 4.46Å; L186-Y234 HydrophobicContact CD1-CE2 3.66Å; L186-Y234 HydrophobicContact CG-CD2 4.3Å; L186-Y234 HydrophobicContact CG-CE2 3.84Å; L186-A240 HydrophobicContact CD2-CB 4.32Å; L186-A240 HydrophobicContact CG-CB 4.35Å; L186-A243 HydrophobicContact CD1-CB 3.85Å; L186-R244 HydrophobicContact CD1-CB 4.07Å; L186-R244 HydrophobicContact CD2-CB 3.99Å; L186-R244 HydrophobicContact CD2-CG 4.48Å; L186-V261 HydrophobicContact CB-CG1 4.37Å; L186-V261 HydrophobicContact CD1-CG1 3.94Å; L186-D262 CarbonylContact C-O 3.59Å; L186-D262 WeakPolarHBondContact CA-O 3.13Å; L186-W263 HydrophobicContact CD2-CD2 4.15Å; L186-W263 HydrophobicContact CD2-CE3 3.49Å; L186-W263 VanDerWaalsContact CD2-CE3 3.49Å; L186-W263 HydrophobicContact CD2-CH2 4.44Å; L186-W263 HydrophobicContact CD2-CZ3 3.65Å |
| 187 | F | 93.5 | Very high | 88.4 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130 | 161.5 | 172.2 | -92 | 0 | 0 | 0 | 108.7 | F229 F231 V261 D262 | F187-F229 HydrophobicContact CD2-CD2 4.27Å; F187-F229 HydrophobicContact CE2-CB 3.64Å; F187-F229 HydrophobicContact CE2-CD1 4.38Å; F187-F229 AromaticContact CE2-CD2 3.61Å; F187-F229 HydrophobicContact CE2-CD2 3.61Å; F187-F229 HydrophobicContact CE2-CE2 4.34Å; F187-F229 AromaticContact CE2-CG 3.64Å; F187-F229 HydrophobicContact CE2-CG 3.64Å; F187-F229 HydrophobicContact CZ-CB 3.74Å; F187-F229 HydrophobicContact CZ-CD2 4.49Å; F187-F229 HydrophobicContact CZ-CG 4.08Å; F187-F231 HydrophobicContact CB-CD1 4.26Å; F187-F231 HydrophobicContact CB-CE1 4.13Å; F187-F231 HydrophobicContact CD2-CD1 4.33Å; F187-F231 AromaticContact CD2-CE1 3.77Å; F187-F231 HydrophobicContact CD2-CE1 3.77Å; F187-F231 HydrophobicContact CD2-CZ 4.01Å; F187-F231 HydrophobicContact CG-CE1 4.45Å; F187-V261 WeakPolarHBondContact O-CA 3.49Å; F187-D262 PolarHBondContact N-O 2.69Å; F187-D262 PolarHBondContact O-N 2.8Å |
| 188 | V | 91.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 105.3 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 109 | I191 F229 A230 I232 I259 A260 V261 | V188-I191 HydrophobicContact CB-CD1 4.38Å; V188-I191 HydrophobicContact CG1-CD1 4.1Å; V188-I191 HydrophobicContact CG1-CG1 4.12Å; V188-I191 WeakPolarHBondContact O-CD1 3.09Å; V188-F229 CarbonylContact O-C 3.57Å; V188-F229 WeakPolarHBondContact O-CA 3.42Å; V188-F229 WeakPolarHBondContact O-CB 3.37Å; V188-A230 PolarHBondContact N-O 3Å; V188-A230 PolarHBondContact O-N 3.11Å; V188-I232 HydrophobicContact CB-CD1 4.27Å; V188-I232 HydrophobicContact CG2-CD1 3.52Å; V188-I232 HydrophobicContact CG2-CG1 4.1Å; V188-I259 HydrophobicContact CG1-CB 4.3Å; V188-I259 HydrophobicContact CG1-CG2 4.34Å; V188-A260 WeakPolarHBondContact CA-O 3.23Å; V188-V261 HydrophobicContact CB-CG2 4.5Å; V188-V261 HydrophobicContact CG1-CG2 4.17Å; V188-V261 HydrophobicContact CG2-CG1 4.24Å; V188-V261 HydrophobicContact CG2-CG2 3.97Å |
| 189 | G | 91.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 166.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | I259 A260 | G189-I259 WeakPolarHBondContact O-CA 3.39Å; G189-A260 PolarHBondContact N-O 2.85Å; G189-A260 PolarHBondContact O-N 3Å |
| 190 | G | 87.1 | Confident | 88.6 | Confident | 38 Ų | 38 | 48 Ų | 48 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | trans | 87.2 | 11.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | G228 | G190-G228 PolarHBondContact N-O 3.15Å; G190-G228 VanDerWaalsContact N-O 3.08Å | ||
| 191 | I | 90.2 | Very high | 89 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | trans | -72.2 | 133.6 | 179.2 | -56.4 | -176.1 | 0 | 0 | 0 | 109.5 | V188 K193 K195 I200 G228 A230 W255 | V188-I191 HydrophobicContact CB-CD1 4.38Å; V188-I191 HydrophobicContact CG1-CD1 4.1Å; V188-I191 HydrophobicContact CG1-CG1 4.12Å; V188-I191 WeakPolarHBondContact O-CD1 3.09Å; I191-K193 PolarHBondContact O-N 3.22Å; I191-K195 HydrophobicContact CG2-CB 4.26Å; I191-I200 HydrophobicContact CD1-CD1 4.13Å; I191-I200 HydrophobicContact CD1-CG1 4.42Å; I191-I200 HydrophobicContact CD1-CG2 4.11Å; I191-I200 HydrophobicContact CG2-CD1 3.83Å; I191-I200 HydrophobicContact CG2-CG1 3.95Å; I191-G228 PolarHBondContact N-O 2.83Å; I191-G228 VanDerWaalsContact N-O 3.14Å; I191-A230 HydrophobicContact CD1-CB 3.63Å; I191-W255 HydrophobicContact CG1-CZ3 4.38Å; I191-W255 HydrophobicContact CG2-CH2 4.29Å; I191-W255 HydrophobicContact CG2-CZ3 3.92Å | ||
| 192 | P | 89.1 | Confident | 89.6 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | trans | -60 | 132.9 | 175.7 | -23.7 | 33.9 | 0 | 0 | 0 | 112 | N194 K195 N226 W255 | P192-N194 WeakPolarHBondContact CB-OD1 3.26Å; P192-N194 PolarHBondContact O-N 3.04Å; P192-K195 HydrophobicContact CB-CG 4.14Å; P192-K195 HydrophobicContact CG-CG 4.45Å; P192-K195 PolarHBondContact O-N 3.24Å; P192-K195 VanDerWaalsContact O-N 3.09Å; P192-N226 PolarHBondContact O-ND2 3.11Å; P192-W255 VanDerWaalsContact CD-CE3 3.47Å; P192-W255 HydrophobicContact CG-CB 3.91Å; P192-W255 HydrophobicContact CG-CD2 4.42Å; P192-W255 HydrophobicContact CG-CE3 4.16Å; P192-W255 HydrophobicContact CG-CG 4.38Å | ||
| 193 | K | 89.1 | Confident | 90.2 | Very high | 124 Ų | 124 | 47 Ų | 47 | 54% | 0.539 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15 | -170.9 | -68.4 | -172.7 | 177.5 | -177.8 | 0 | 115.2 | I191 K225 N226 | I191-K193 PolarHBondContact O-N 3.22Å; K193-K225 HydrophobicContact CB-CB 4.35Å; K193-K225 CarbonylContact O-C 3.59Å; K193-K225 WeakPolarHBondContact O-CA 3.15Å; K193-K225 VanDerWaalsContact O-CB 3.28Å; K193-K225 WeakPolarHBondContact O-CB 3.06Å; K193-N226 PolarHBondContact O-N 3.24Å |
| 194 | N | 89.2 | Confident | 90.5 | Very high | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.9 | 178.7 | 64.2 | -34.8 | 0 | 0 | 0 | 114.2 | P192 | P192-N194 WeakPolarHBondContact CB-OD1 3.26Å; P192-N194 PolarHBondContact O-N 3.04Å |
| 195 | K | 88.6 | Confident | 90.7 | Very high | 42 Ų | 42 | 51 Ų | 51 | 18% | 0.183 | 26% | 0.258 | C | S | . | . | trans | -88.4 | 132.5 | -179.3 | -66.4 | -67.3 | 173 | -167.4 | 0 | 112.6 | I191 P192 E199 I200 N226 W255 | I191-K195 HydrophobicContact CG2-CB 4.26Å; P192-K195 HydrophobicContact CB-CG 4.14Å; P192-K195 HydrophobicContact CG-CG 4.45Å; P192-K195 PolarHBondContact O-N 3.24Å; P192-K195 VanDerWaalsContact O-N 3.09Å; K195-E199 HydrophobicContact CD-CB 4.15Å; K195-E199 WeakPolarHBondContact CD-OE2 3.26Å; K195-E199 WeakPolarHBondContact CE-OE2 3.25Å; K195-E199 IonicContact NZ-OE1 2.66Å; K195-E199 IonicContact NZ-OE2 2.97Å; K195-E199 PolarHBondContact NZ-OE2 3.2Å; K195-I200 HydrophobicContact CB-CD1 4.44Å; K195-I200 HydrophobicContact CB-CG1 4.1Å; K195-N226 PolarHBondContact O-ND2 3.43Å; K195-W255 VanDerWaalsContact CE-CD1 3.49Å; K195-W255 HydrophobicContact CG-CD2 4.37Å | ||
| 196 | T | 89.6 | Confident | 90.6 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | trans | -78 | 168.8 | 174.5 | 83.8 | 0 | 0 | 0 | 0 | 111.6 | E198 E199 I200 | T196-E198 WeakPolarHBondContact CB-OE2 3.49Å; T196-E198 PolarHBondContact O-N 2.83Å; T196-E198 PolarHBondContact OG1-N 2.94Å; T196-E198 PolarHBondContact OG1-OE2 2.99Å; T196-E199 PolarHBondContact O-N 3.24Å; T196-E199 PolarHBondContact OG1-N 3.28Å; T196-I200 WeakPolarHBondContact O-CD1 3.35Å; T196-I200 VanDerWaalsContact O-CG1 3.23Å; T196-I200 WeakPolarHBondContact O-CG1 3.43Å; T196-I200 PolarHBondContact O-N 2.91Å; T196-I200 VanDerWaalsContact O-N 3.14Å | ||
| 197 | R | 90.1 | Very high | 90.3 | Very high | 92 Ų | 92 | 57.8 Ų | 57.8 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 176.5 | -176.4 | -167.5 | -173.1 | 110.8 | 4.3 | 111.5 | I200 L201 D213 V214 | R197-I200 PolarHBondContact O-N 2.74Å; R197-L201 WeakPolarHBondContact O-CB 3.4Å; R197-L201 PolarHBondContact O-N 3.44Å; R197-D213 IonicContact CZ-OD1 3.46Å; R197-D213 IonicContact NE-OD1 2.69Å; R197-D213 IonicContact NH2-OD1 2.64Å; R197-D213 PolarHBondContact NH2-OD1 2.95Å; R197-D213 IonicContact NH2-OD2 3.08Å; R197-D213 PolarHBondContact NH2-OD2 2.81Å; R197-V214 WeakPolarHBondContact CG-O 3.44Å; R197-V214 PolarHBondContact NE-O 3.24Å; R197-V214 PolarHBondContact NH2-O 2.82Å; R197-V214 VanDerWaalsContact NH2-O 3.16Å |
| 198 | E | 91.6 | Very high | 90.1 | Very high | 114 Ų | 114 | 54.7 Ų | 54.7 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.7 | -42 | -176.6 | -56.3 | 66.1 | -139.5 | 0 | 0 | 111.4 | T196 I200 L201 S202 | T196-E198 WeakPolarHBondContact CB-OE2 3.49Å; T196-E198 PolarHBondContact O-N 2.83Å; T196-E198 PolarHBondContact OG1-N 2.94Å; T196-E198 PolarHBondContact OG1-OE2 2.99Å; E198-I200 VanDerWaalsContact C-N 3.35Å; E198-L201 PolarHBondContact O-N 2.78Å; E198-S202 WeakPolarHBondContact O-CB 3.38Å; E198-S202 PolarHBondContact O-N 2.75Å; E198-S202 PolarHBondContact O-OG 3.31Å |
| 199 | E | 91.8 | Very high | 90 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 172.9 | -73.6 | -166.4 | -104.1 | 0 | 0 | 112 | K195 T196 S202 E203 | K195-E199 HydrophobicContact CD-CB 4.15Å; K195-E199 WeakPolarHBondContact CD-OE2 3.26Å; K195-E199 WeakPolarHBondContact CE-OE2 3.25Å; K195-E199 IonicContact NZ-OE1 2.66Å; K195-E199 IonicContact NZ-OE2 2.97Å; K195-E199 PolarHBondContact NZ-OE2 3.2Å; T196-E199 PolarHBondContact O-N 3.24Å; T196-E199 PolarHBondContact OG1-N 3.28Å; E199-S202 PolarHBondContact O-N 3.29Å; E199-E203 WeakPolarHBondContact O-CB 3.32Å; E199-E203 PolarHBondContact O-N 2.72Å |
| 200 | I | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 175 | -60.2 | 159.3 | 0 | 0 | 0 | 109.7 | I191 K195 T196 R197 E198 S202 E203 M204 V214 A230 W255 | I191-I200 HydrophobicContact CD1-CD1 4.13Å; I191-I200 HydrophobicContact CD1-CG1 4.42Å; I191-I200 HydrophobicContact CD1-CG2 4.11Å; I191-I200 HydrophobicContact CG2-CD1 3.83Å; I191-I200 HydrophobicContact CG2-CG1 3.95Å; K195-I200 HydrophobicContact CB-CD1 4.44Å; K195-I200 HydrophobicContact CB-CG1 4.1Å; T196-I200 WeakPolarHBondContact O-CD1 3.35Å; T196-I200 VanDerWaalsContact O-CG1 3.23Å; T196-I200 WeakPolarHBondContact O-CG1 3.43Å; T196-I200 PolarHBondContact O-N 2.91Å; T196-I200 VanDerWaalsContact O-N 3.14Å; R197-I200 PolarHBondContact O-N 2.74Å; E198-I200 VanDerWaalsContact C-N 3.35Å; I200-S202 VanDerWaalsContact C-N 3.31Å; I200-S202 PolarHBondContact O-N 2.73Å; I200-E203 PolarHBondContact O-N 2.95Å; I200-M204 HydrophobicContact CG2-CG 3.97Å; I200-M204 WeakPolarHBondContact O-CB 3.35Å; I200-M204 WeakPolarHBondContact O-CG 3.28Å; I200-M204 PolarHBondContact O-N 2.8Å; I200-V214 HydrophobicContact CB-CG1 4.04Å; I200-V214 HydrophobicContact CG2-CG1 3.58Å; I200-A230 HydrophobicContact CD1-CB 4.45Å; I200-A230 HydrophobicContact CG2-CB 4.45Å; I200-W255 HydrophobicContact CB-CH2 4.3Å; I200-W255 HydrophobicContact CG1-CH2 3.96Å; I200-W255 HydrophobicContact CG1-CZ2 4.34Å; I200-W255 HydrophobicContact CG2-CH2 4.28Å |
| 201 | L | 92.5 | Very high | 90.2 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 178.2 | -177.3 | 147.1 | 0 | 0 | 0 | 112.6 | R197 E198 K205 V214 | R197-L201 WeakPolarHBondContact O-CB 3.4Å; R197-L201 PolarHBondContact O-N 3.44Å; E198-L201 PolarHBondContact O-N 2.78Å; L201-K205 HydrophobicContact CD2-CD 3.83Å; L201-K205 HydrophobicContact CG-CD 4.43Å; L201-K205 WeakPolarHBondContact O-CB 3.45Å; L201-K205 WeakPolarHBondContact O-CG 3.37Å; L201-K205 PolarHBondContact O-N 3.45Å; L201-V214 HydrophobicContact CB-CB 4.18Å; L201-V214 HydrophobicContact CB-CG2 3.86Å; L201-V214 HydrophobicContact CD1-CG2 4.36Å; L201-V214 HydrophobicContact CG-CG2 4.23Å |
| 202 | S | 91.7 | Very high | 90.3 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 53% | 0.531 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.7 | -47.8 | 178.5 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | E198 E199 I200 M204 K205 R206 | E198-S202 WeakPolarHBondContact O-CB 3.38Å; E198-S202 PolarHBondContact O-N 2.75Å; E198-S202 PolarHBondContact O-OG 3.31Å; E199-S202 PolarHBondContact O-N 3.29Å; I200-S202 VanDerWaalsContact C-N 3.31Å; I200-S202 PolarHBondContact O-N 2.73Å; S202-M204 VanDerWaalsContact C-N 3.34Å; S202-M204 PolarHBondContact O-N 3.01Å; S202-K205 PolarHBondContact O-N 2.71Å; S202-R206 WeakPolarHBondContact O-CB 3.24Å; S202-R206 PolarHBondContact O-N 2.68Å |
| 203 | E | 89.2 | Confident | 90.4 | Very high | 30 Ų | 30 | 67.7 Ų | 67.7 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 177.4 | -175.7 | 72.2 | 162.2 | 0 | 0 | 111.7 | E199 I200 R206 V207 L254 W255 | E199-E203 WeakPolarHBondContact O-CB 3.32Å; E199-E203 PolarHBondContact O-N 2.72Å; I200-E203 PolarHBondContact O-N 2.95Å; E203-R206 WeakPolarHBondContact O-CB 3.29Å; E203-R206 PolarHBondContact O-N 3.38Å; E203-R206 IonicContact OE1-CZ 2.64Å; E203-R206 IonicContact OE1-NH2 2.83Å; E203-R206 PolarHBondContact OE1-NH2 2.8Å; E203-R206 IonicContact OE2-CZ 3.16Å; E203-R206 VanDerWaalsContact OE2-CZ 3.25Å; E203-R206 IonicContact OE2-NE 2.62Å; E203-R206 PolarHBondContact OE2-NE 3.01Å; E203-R206 IonicContact OE2-NH2 3.83Å; E203-R206 PolarHBondContact OE2-NH2 2.81Å; E203-V207 WeakPolarHBondContact O-CG2 3.32Å; E203-V207 PolarHBondContact O-N 2.87Å; E203-L254 HydrophobicContact CG-CD1 4.26Å; E203-L254 HydrophobicContact CG-CD2 4.02Å; E203-L254 HydrophobicContact CG-CG 4.49Å; E203-W255 HydrophobicContact CB-CH2 4.21Å; E203-W255 HydrophobicContact CB-CZ2 3.5Å; E203-W255 VanDerWaalsContact CB-CZ2 3.5Å; E203-W255 HydrophobicContact CG-CH2 4.17Å; E203-W255 HydrophobicContact CG-CZ2 3.63Å |
| 204 | M | 90 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.4 | -36.8 | 179.6 | -70.1 | -63.3 | -40.1 | 0 | 0 | 112.6 | I200 S202 R206 V207 T208 V211 I232 Y234 L247 L254 | I200-M204 HydrophobicContact CG2-CG 3.97Å; I200-M204 WeakPolarHBondContact O-CB 3.35Å; I200-M204 WeakPolarHBondContact O-CG 3.28Å; I200-M204 PolarHBondContact O-N 2.8Å; S202-M204 VanDerWaalsContact C-N 3.34Å; S202-M204 PolarHBondContact O-N 3.01Å; M204-R206 VanDerWaalsContact C-N 3.32Å; M204-V207 PolarHBondContact O-N 2.82Å; M204-T208 HydrophobicContact CE-CG2 4.42Å; M204-T208 WeakPolarHBondContact O-CA 3.35Å; M204-T208 PolarHBondContact O-N 3.43Å; M204-T208 VanDerWaalsContact O-O 3.09Å; M204-T208 PolarHBondContact O-OG1 2.87Å; M204-V211 HydrophobicContact CB-CG2 4.4Å; M204-I232 HydrophobicContact CB-CD1 4.22Å; M204-I232 HydrophobicContact CE-CD1 3.33Å; M204-I232 HydrophobicContact CG-CD1 3.52Å; M204-I232 HydrophobicContact SD-CD1 3.58Å; M204-I232 VanDerWaalsContact SD-CD1 3.58Å; M204-Y234 WeakPolarHBondContact CE-OH 3.3Å; M204-L247 HydrophobicContact CE-CD1 3.47Å; M204-L247 VanDerWaalsContact CE-CD1 3.47Å; M204-L247 HydrophobicContact CE-CD2 4.36Å; M204-L254 HydrophobicContact SD-CD1 3.73Å |
| 205 | K | 91.6 | Very high | 90.6 | Very high | 111 Ų | 111 | 57.9 Ų | 57.9 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.1 | -29.5 | 169.8 | -77.4 | -176.9 | 179.1 | -172.4 | 0 | 112.9 | L201 S202 V207 V211 | L201-K205 HydrophobicContact CD2-CD 3.83Å; L201-K205 HydrophobicContact CG-CD 4.43Å; L201-K205 WeakPolarHBondContact O-CB 3.45Å; L201-K205 WeakPolarHBondContact O-CG 3.37Å; L201-K205 PolarHBondContact O-N 3.45Å; S202-K205 PolarHBondContact O-N 2.71Å; K205-V207 VanDerWaalsContact C-N 3.32Å; K205-V211 VanDerWaalsContact CE-O 3.25Å; K205-V211 WeakPolarHBondContact CE-O 3.49Å; K205-V211 HydrophobicContact CG-CB 3.85Å; K205-V211 HydrophobicContact CG-CG1 4.31Å; K205-V211 HydrophobicContact CG-CG2 4.39Å |
| 206 | R | 89.3 | Confident | 90.7 | Very high | 170 Ų | 170 | 56.9 Ų | 56.9 | 64% | 0.642 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -70.6 | -25.9 | 175.9 | -167.8 | -175.6 | 66.4 | 74.2 | -3.7 | 113.2 | S202 E203 M204 | S202-R206 WeakPolarHBondContact O-CB 3.24Å; S202-R206 PolarHBondContact O-N 2.68Å; E203-R206 WeakPolarHBondContact O-CB 3.29Å; E203-R206 PolarHBondContact O-N 3.38Å; E203-R206 IonicContact OE1-CZ 2.64Å; E203-R206 IonicContact OE1-NH2 2.83Å; E203-R206 PolarHBondContact OE1-NH2 2.8Å; E203-R206 IonicContact OE2-CZ 3.16Å; E203-R206 VanDerWaalsContact OE2-CZ 3.25Å; E203-R206 IonicContact OE2-NE 2.62Å; E203-R206 PolarHBondContact OE2-NE 3.01Å; E203-R206 IonicContact OE2-NH2 3.83Å; E203-R206 PolarHBondContact OE2-NH2 2.81Å; M204-R206 VanDerWaalsContact C-N 3.32Å |
| 207 | V | 87.6 | Confident | 90.6 | Very high | 23 Ų | 23 | 57.4 Ų | 57.4 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -109.5 | -29.1 | -175.4 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | E203 M204 K205 L247 I252 L254 | E203-V207 WeakPolarHBondContact O-CG2 3.32Å; E203-V207 PolarHBondContact O-N 2.87Å; M204-V207 PolarHBondContact O-N 2.82Å; K205-V207 VanDerWaalsContact C-N 3.32Å; V207-L247 HydrophobicContact CG1-CD2 3.72Å; V207-I252 HydrophobicContact CG1-CD1 3.58Å; V207-I252 HydrophobicContact CG1-CG2 4.47Å; V207-L254 HydrophobicContact CG2-CD2 3.99Å |
| 208 | T | 89.6 | Confident | 90.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -135 | 138.2 | -176.7 | 61 | 0 | 0 | 0 | 0 | 113.4 | M204 Y234 A243 K246 L247 | M204-T208 HydrophobicContact CE-CG2 4.42Å; M204-T208 WeakPolarHBondContact O-CA 3.35Å; M204-T208 PolarHBondContact O-N 3.43Å; M204-T208 VanDerWaalsContact O-O 3.09Å; M204-T208 PolarHBondContact O-OG1 2.87Å; T208-Y234 PolarHBondContact OG1-OH 2.81Å; T208-A243 HydrophobicContact CG2-CB 3.76Å; T208-K246 HydrophobicContact CG2-CB 4.35Å; T208-K246 HydrophobicContact CG2-CD 4.24Å; T208-L247 HydrophobicContact CG2-CD1 3.74Å; T208-L247 HydrophobicContact CG2-CD2 4.05Å; T208-L247 HydrophobicContact CG2-CG 3.8Å |
| 209 | D | 89.3 | Confident | 90.1 | Very high | 109 Ų | 109 | 50.8 Ų | 50.8 | 58% | 0.583 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 146.6 | -171.7 | -30.1 | -88.7 | 0 | 0 | 0 | 110.7 | K246 | D209-K246 IonicContact OD1-NZ 3.01Å; D209-K246 IonicContact OD2-NZ 3.2Å; D209-K246 PolarHBondContact OD2-NZ 2.83Å |
| 210 | G | 89.8 | Confident | 89.6 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 22.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | K212 Y234 G235 | G210-K212 PolarHBondContact O-N 2.82Å; G210-Y234 CarbonylContact O-C 3.44Å; G210-Y234 VanDerWaalsContact O-CA 3.31Å; G210-Y234 WeakPolarHBondContact O-CA 3.26Å; G210-G235 PolarHBondContact O-N 3.47Å |
| 211 | V | 92.9 | Very high | 89.1 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.5 | 170.3 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | M204 K205 V214 I232 Y234 | M204-V211 HydrophobicContact CB-CG2 4.4Å; K205-V211 VanDerWaalsContact CE-O 3.25Å; K205-V211 WeakPolarHBondContact CE-O 3.49Å; K205-V211 HydrophobicContact CG-CB 3.85Å; K205-V211 HydrophobicContact CG-CG1 4.31Å; K205-V211 HydrophobicContact CG-CG2 4.39Å; V211-V214 HydrophobicContact CG1-CG2 4.09Å; V211-I232 HydrophobicContact CG1-CG2 3.8Å; V211-I232 HydrophobicContact CG2-CG2 4.16Å; V211-Y234 HydrophobicContact CB-CE1 4.43Å; V211-Y234 HydrophobicContact CG2-CD1 4.11Å; V211-Y234 HydrophobicContact CG2-CE1 3.43Å; V211-Y234 VanDerWaalsContact CG2-CE1 3.43Å |
| 212 | K | 91.6 | Very high | 88.5 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 53% | 0.53 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -54.8 | 179.5 | 179.4 | -179.1 | 163.5 | -132.9 | 0 | 112 | G210 E233 | G210-K212 PolarHBondContact O-N 2.82Å; K212-E233 WeakPolarHBondContact CB-O 3.23Å; K212-E233 WeakPolarHBondContact CD-OE1 3.49Å; K212-E233 PolarHBondContact N-O 3.17Å; K212-E233 IonicContact NZ-OE1 3.33Å; K212-E233 PolarHBondContact NZ-OE1 3.36Å; K212-E233 IonicContact NZ-OE2 2.75Å; K212-E233 PolarHBondContact NZ-OE2 3.29Å |
| 213 | D | 91.9 | Very high | 88 | Confident | 46 Ų | 46 | 54 Ų | 54 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159 | 177.3 | -177.1 | 31.5 | 0 | 0 | 0 | 111.3 | R197 I215 E233 | R197-D213 IonicContact CZ-OD1 3.46Å; R197-D213 IonicContact NE-OD1 2.69Å; R197-D213 IonicContact NH2-OD1 2.64Å; R197-D213 PolarHBondContact NH2-OD1 2.95Å; R197-D213 IonicContact NH2-OD2 3.08Å; R197-D213 PolarHBondContact NH2-OD2 2.81Å; D213-I215 VanDerWaalsContact OD2-CG1 3.23Å; D213-I215 WeakPolarHBondContact OD2-CG1 3.23Å; D213-E233 PolarHBondContact N-O 3Å; D213-E233 PolarHBondContact O-N 3.31Å |
| 214 | V | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 111.6 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 109 | R197 I200 L201 V211 A230 F231 I232 | R197-V214 WeakPolarHBondContact CG-O 3.44Å; R197-V214 PolarHBondContact NE-O 3.24Å; R197-V214 PolarHBondContact NH2-O 2.82Å; R197-V214 VanDerWaalsContact NH2-O 3.16Å; I200-V214 HydrophobicContact CB-CG1 4.04Å; I200-V214 HydrophobicContact CG2-CG1 3.58Å; L201-V214 HydrophobicContact CB-CB 4.18Å; L201-V214 HydrophobicContact CB-CG2 3.86Å; L201-V214 HydrophobicContact CD1-CG2 4.36Å; L201-V214 HydrophobicContact CG-CG2 4.23Å; V211-V214 HydrophobicContact CG1-CG2 4.09Å; V214-A230 HydrophobicContact CG1-CB 4.03Å; V214-F231 CarbonylContact C-O 3.56Å; V214-F231 WeakPolarHBondContact CA-O 3.36Å; V214-I232 HydrophobicContact CG2-CG1 4.25Å; V214-I232 HydrophobicContact CG2-CG2 4.18Å |
| 215 | I | 90.9 | Very high | 87.5 | Confident | 34 Ų | 34 | 62.4 Ų | 62.4 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 103.4 | -179.9 | -64.2 | 166.7 | 0 | 0 | 0 | 108.7 | R185 D213 Y217 A230 F231 | R185-I215 VanDerWaalsContact NH2-CD1 3.35Å; D213-I215 VanDerWaalsContact OD2-CG1 3.23Å; D213-I215 WeakPolarHBondContact OD2-CG1 3.23Å; I215-Y217 HydrophobicContact CG2-CE2 4.02Å; I215-A230 WeakPolarHBondContact O-CA 3.3Å; I215-F231 HydrophobicContact CB-CB 4.39Å; I215-F231 PolarHBondContact N-O 3.09Å; I215-F231 PolarHBondContact O-N 3.21Å |
| 216 | S | 90 | Very high | 87.3 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145 | 172.3 | -166.9 | 0 | 0 | 0 | 0 | 110.7 | F229 | S216-F229 PolarHBondContact OG-O 2.97Å |
| 217 | Y | 87.3 | Confident | 87.3 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.5 | 179 | -67.5 | -81.1 | 0 | 0 | 0 | 110.9 | I215 R227 F229 F231 | I215-Y217 HydrophobicContact CG2-CE2 4.02Å; Y217-R227 WeakPolarHBondContact O-CB 3.29Å; Y217-R227 PolarHBondContact O-N 3.27Å; Y217-F229 HydrophobicContact CD2-CE2 4.14Å; Y217-F231 HydrophobicContact CD2-CE2 4.48Å; Y217-F231 AromaticContact CE2-CD2 3.93Å; Y217-F231 HydrophobicContact CE2-CD2 3.93Å; Y217-F231 AromaticContact CE2-CE2 3.91Å; Y217-F231 HydrophobicContact CE2-CE2 3.91Å |
| 218 | P | 86.1 | Confident | 87.4 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 155.9 | 169.4 | -23.4 | 33.9 | 0 | 0 | 0 | 112.7 | K223 K225 | P218-K223 HydrophobicContact CB-CB 4.39Å; P218-K225 CarbonylContact C-O 3.47Å; P218-K225 WeakPolarHBondContact CA-O 3.37Å |
| 219 | S | 84.8 | Confident | 87.6 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 133.4 | 172.8 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | T221 D222 K225 | S219-T221 PolarHBondContact O-N 3.17Å; S219-T221 VanDerWaalsContact O-N 3.14Å; S219-T221 PolarHBondContact OG-OG1 3.43Å; S219-T221 VanDerWaalsContact OG-OG1 3.13Å; S219-D222 WeakPolarHBondContact CB-O 3.5Å; S219-D222 CarbonylContact O-C 3.6Å; S219-D222 VanDerWaalsContact O-C 3.23Å; S219-D222 PolarHBondContact O-N 2.95Å; S219-K225 PolarHBondContact N-O 2.92Å |
| 220 | V | 81.3 | Confident | 87.8 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -36.3 | 177.9 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | L288 S317 D318 | V220-L288 HydrophobicContact CG1-CD1 4.17Å; V220-L288 HydrophobicContact CG1-CD2 3.69Å; V220-L288 HydrophobicContact CG1-CG 4.02Å; V220-S317 WeakPolarHBondContact CG1-OG 3.34Å; V220-D318 HydrophobicContact CG1-CB 4.2Å; V220-D318 HydrophobicContact CG2-CB 4.43Å |
| 221 | T | 80.5 | Confident | 88 | Confident | 120 Ų | 120 | 51.1 Ų | 51.1 | 74% | 0.736 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -22.8 | -177.9 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | S219 | S219-T221 PolarHBondContact O-N 3.17Å; S219-T221 VanDerWaalsContact O-N 3.14Å; S219-T221 PolarHBondContact OG-OG1 3.43Å; S219-T221 VanDerWaalsContact OG-OG1 3.13Å |
| 222 | D | 81.5 | Confident | 88 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 101.7 | -166.6 | -179.6 | -9 | 0 | 0 | 0 | 109.7 | S219 T224 K225 | S219-D222 WeakPolarHBondContact CB-O 3.5Å; S219-D222 CarbonylContact O-C 3.6Å; S219-D222 VanDerWaalsContact O-C 3.23Å; S219-D222 PolarHBondContact O-N 2.95Å; D222-T224 PolarHBondContact O-N 2.99Å; D222-T224 WeakPolarHBondContact OD1-CB 3.14Å; D222-T224 PolarHBondContact OD1-N 3.48Å; D222-T224 PolarHBondContact OD1-OG1 2.95Å; D222-T224 PolarHBondContact OD2-OG1 3.3Å; D222-K225 PolarHBondContact O-N 2.82Å; D222-K225 VanDerWaalsContact O-N 3.1Å; D222-K225 WeakPolarHBondContact OD2-CD 3.47Å; D222-K225 WeakPolarHBondContact OD2-CE 3.28Å; D222-K225 IonicContact OD2-NZ 2.67Å; D222-K225 PolarHBondContact OD2-NZ 2.87Å |
| 223 | K | 80.8 | Confident | 88.1 | Confident | 66 Ų | 66 | 46.6 Ų | 46.6 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -7 | -173.6 | -59.9 | -170.9 | 175.4 | -165.5 | 0 | 114.1 | P218 N285 L286 S345 | P218-K223 HydrophobicContact CB-CB 4.39Å; K223-N285 WeakPolarHBondContact CD-OD1 3.31Å; K223-N285 VanDerWaalsContact CE-OD1 3.28Å; K223-N285 WeakPolarHBondContact CE-OD1 3.22Å; K223-N285 PolarHBondContact NZ-O 3.46Å; K223-N285 PolarHBondContact NZ-OD1 3.26Å; K223-L286 WeakPolarHBondContact CE-O 3.41Å; K223-L286 VanDerWaalsContact NZ-C 3.25Å; K223-L286 PolarHBondContact NZ-O 3.22Å; K223-S345 WeakPolarHBondContact CD-OG 3.4Å; K223-S345 WeakPolarHBondContact CE-OG 3.48Å; K223-S345 VanDerWaalsContact NZ-CB 3.28Å; K223-S345 PolarHBondContact NZ-OG 2.92Å |
| 224 | T | 81.5 | Confident | 88.2 | Confident | 118 Ų | 118 | 44.4 Ų | 44.4 | 72% | 0.724 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -14.2 | 170.3 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | D222 | D222-T224 PolarHBondContact O-N 2.99Å; D222-T224 WeakPolarHBondContact OD1-CB 3.14Å; D222-T224 PolarHBondContact OD1-N 3.48Å; D222-T224 PolarHBondContact OD1-OG1 2.95Å; D222-T224 PolarHBondContact OD2-OG1 3.3Å |
| 225 | K | 85.8 | Confident | 88 | Confident | 88 Ų | 88 | 46.6 Ų | 46.6 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 148.2 | -176.1 | -68.2 | 180 | -178.2 | 64 | 0 | 110.9 | K193 P218 S219 D222 | K193-K225 HydrophobicContact CB-CB 4.35Å; K193-K225 CarbonylContact O-C 3.59Å; K193-K225 WeakPolarHBondContact O-CA 3.15Å; K193-K225 VanDerWaalsContact O-CB 3.28Å; K193-K225 WeakPolarHBondContact O-CB 3.06Å; P218-K225 CarbonylContact C-O 3.47Å; P218-K225 WeakPolarHBondContact CA-O 3.37Å; S219-K225 PolarHBondContact N-O 2.92Å; D222-K225 PolarHBondContact O-N 2.82Å; D222-K225 VanDerWaalsContact O-N 3.1Å; D222-K225 WeakPolarHBondContact OD2-CD 3.47Å; D222-K225 WeakPolarHBondContact OD2-CE 3.28Å; D222-K225 IonicContact OD2-NZ 2.67Å; D222-K225 PolarHBondContact OD2-NZ 2.87Å |
| 226 | N | 88.9 | Confident | 87.8 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 163.6 | 169.7 | 74.2 | 54.7 | 0 | 0 | 0 | 111.3 | P192 K193 K195 G228 | P192-N226 PolarHBondContact O-ND2 3.11Å; K193-N226 PolarHBondContact O-N 3.24Å; K195-N226 PolarHBondContact O-ND2 3.43Å; N226-G228 PolarHBondContact O-N 2.96Å; N226-G228 WeakPolarHBondContact OD1-CA 3.15Å; N226-G228 PolarHBondContact OD1-N 3.24Å |
| 227 | R | 89.3 | Confident | 87.6 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 3.7 | -177.6 | -156.2 | 168.1 | 175.7 | 142.8 | -1.4 | 114.7 | Y217 F229 D318 | Y217-R227 WeakPolarHBondContact O-CB 3.29Å; Y217-R227 PolarHBondContact O-N 3.27Å; R227-F229 HydrophobicContact CB-CD1 4.26Å; R227-F229 HydrophobicContact CB-CE1 3.88Å; R227-F229 HydrophobicContact CB-CZ 4.34Å; R227-F229 HydrophobicContact CG-CD1 4.37Å; R227-F229 HydrophobicContact CG-CE1 3.67Å; R227-F229 HydrophobicContact CG-CZ 4.25Å; R227-D318 IonicContact NH1-OD2 3.02Å; R227-D318 PolarHBondContact NH1-OD2 3.13Å |
| 228 | G | 89.7 | Confident | 87.5 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.6 | 5.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G190 I191 N226 | G190-G228 PolarHBondContact N-O 3.15Å; G190-G228 VanDerWaalsContact N-O 3.08Å; I191-G228 PolarHBondContact N-O 2.83Å; I191-G228 VanDerWaalsContact N-O 3.14Å; N226-G228 PolarHBondContact O-N 2.96Å; N226-G228 WeakPolarHBondContact OD1-CA 3.15Å; N226-G228 PolarHBondContact OD1-N 3.24Å |
| 229 | F | 92.5 | Very high | 87.8 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 163.6 | 178 | 65.1 | -95.1 | 0 | 0 | 0 | 111.8 | F187 V188 S216 Y217 R227 F231 | F187-F229 HydrophobicContact CD2-CD2 4.27Å; F187-F229 HydrophobicContact CE2-CB 3.64Å; F187-F229 HydrophobicContact CE2-CD1 4.38Å; F187-F229 AromaticContact CE2-CD2 3.61Å; F187-F229 HydrophobicContact CE2-CD2 3.61Å; F187-F229 HydrophobicContact CE2-CE2 4.34Å; F187-F229 AromaticContact CE2-CG 3.64Å; F187-F229 HydrophobicContact CE2-CG 3.64Å; F187-F229 HydrophobicContact CZ-CB 3.74Å; F187-F229 HydrophobicContact CZ-CD2 4.49Å; F187-F229 HydrophobicContact CZ-CG 4.08Å; V188-F229 CarbonylContact O-C 3.57Å; V188-F229 WeakPolarHBondContact O-CA 3.42Å; V188-F229 WeakPolarHBondContact O-CB 3.37Å; S216-F229 PolarHBondContact OG-O 2.97Å; Y217-F229 HydrophobicContact CD2-CE2 4.14Å; R227-F229 HydrophobicContact CB-CD1 4.26Å; R227-F229 HydrophobicContact CB-CE1 3.88Å; R227-F229 HydrophobicContact CB-CZ 4.34Å; R227-F229 HydrophobicContact CG-CD1 4.37Å; R227-F229 HydrophobicContact CG-CE1 3.67Å; R227-F229 HydrophobicContact CG-CZ 4.25Å; F229-F231 HydrophobicContact CD2-CE2 4.28Å; F229-F231 AromaticContact CE2-CE2 3.89Å; F229-F231 HydrophobicContact CE2-CE2 3.89Å; F229-F231 HydrophobicContact CE2-CZ 4.49Å |
| 230 | A | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 158.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V188 I191 I200 V214 I215 | V188-A230 PolarHBondContact N-O 3Å; V188-A230 PolarHBondContact O-N 3.11Å; I191-A230 HydrophobicContact CD1-CB 3.63Å; I200-A230 HydrophobicContact CD1-CB 4.45Å; I200-A230 HydrophobicContact CG2-CB 4.45Å; V214-A230 HydrophobicContact CG1-CB 4.03Å; I215-A230 WeakPolarHBondContact O-CA 3.3Å |
| 231 | F | 94 | Very high | 88.5 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 20% | 0.197 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.7 | 167.2 | -64.6 | -82.2 | 0 | 0 | 0 | 109.7 | R185 L186 F187 V214 I215 Y217 F229 A264 | R185-F231 HydrophobicContact CG-CB 4.23Å; L186-F231 CarbonylContact O-C 3.49Å; L186-F231 VanDerWaalsContact O-CA 3.26Å; L186-F231 WeakPolarHBondContact O-CA 3.25Å; F187-F231 HydrophobicContact CB-CD1 4.26Å; F187-F231 HydrophobicContact CB-CE1 4.13Å; F187-F231 HydrophobicContact CD2-CD1 4.33Å; F187-F231 AromaticContact CD2-CE1 3.77Å; F187-F231 HydrophobicContact CD2-CE1 3.77Å; F187-F231 HydrophobicContact CD2-CZ 4.01Å; F187-F231 HydrophobicContact CG-CE1 4.45Å; V214-F231 CarbonylContact C-O 3.56Å; V214-F231 WeakPolarHBondContact CA-O 3.36Å; I215-F231 HydrophobicContact CB-CB 4.39Å; I215-F231 PolarHBondContact N-O 3.09Å; I215-F231 PolarHBondContact O-N 3.21Å; Y217-F231 HydrophobicContact CD2-CE2 4.48Å; Y217-F231 AromaticContact CE2-CD2 3.93Å; Y217-F231 HydrophobicContact CE2-CD2 3.93Å; Y217-F231 AromaticContact CE2-CE2 3.91Å; Y217-F231 HydrophobicContact CE2-CE2 3.91Å; F229-F231 HydrophobicContact CD2-CE2 4.28Å; F229-F231 AromaticContact CE2-CE2 3.89Å; F229-F231 HydrophobicContact CE2-CE2 3.89Å; F229-F231 HydrophobicContact CE2-CZ 4.49Å; F231-A264 HydrophobicContact CD1-CB 3.73Å; F231-A264 HydrophobicContact CE1-CB 3.93Å |
| 232 | I | 94 | Very high | 89 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.3 | -175.7 | -52.3 | -174.9 | 0 | 0 | 0 | 108.7 | R185 L186 V188 M204 V211 V214 Y234 | R185-I232 CarbonylContact C-O 3.57Å; R185-I232 VanDerWaalsContact CA-O 3.29Å; R185-I232 WeakPolarHBondContact CA-O 3.49Å; L186-I232 PolarHBondContact N-O 3.06Å; L186-I232 PolarHBondContact O-N 3.07Å; V188-I232 HydrophobicContact CB-CD1 4.27Å; V188-I232 HydrophobicContact CG2-CD1 3.52Å; V188-I232 HydrophobicContact CG2-CG1 4.1Å; M204-I232 HydrophobicContact CB-CD1 4.22Å; M204-I232 HydrophobicContact CE-CD1 3.33Å; M204-I232 HydrophobicContact CG-CD1 3.52Å; M204-I232 HydrophobicContact SD-CD1 3.58Å; M204-I232 VanDerWaalsContact SD-CD1 3.58Å; V211-I232 HydrophobicContact CG1-CG2 3.8Å; V211-I232 HydrophobicContact CG2-CG2 4.16Å; V214-I232 HydrophobicContact CG2-CG1 4.25Å; V214-I232 HydrophobicContact CG2-CG2 4.18Å; I232-Y234 HydrophobicContact CB-CE2 3.94Å; I232-Y234 HydrophobicContact CG2-CD2 4.12Å; I232-Y234 HydrophobicContact CG2-CE2 3.44Å; I232-Y234 VanDerWaalsContact CG2-CE2 3.44Å |
| 233 | E | 93.1 | Very high | 89.5 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.9 | 173.7 | -158.6 | -159.9 | 154 | 0 | 0 | 109.9 | R102 K212 D213 | R102-E233 IonicContact CZ-OE1 3.44Å; R102-E233 IonicContact NH1-OE1 3.68Å; R102-E233 PolarHBondContact NH1-OE1 2.81Å; R102-E233 IonicContact NH2-OE1 3.42Å; K212-E233 WeakPolarHBondContact CB-O 3.23Å; K212-E233 WeakPolarHBondContact CD-OE1 3.49Å; K212-E233 PolarHBondContact N-O 3.17Å; K212-E233 IonicContact NZ-OE1 3.33Å; K212-E233 PolarHBondContact NZ-OE1 3.36Å; K212-E233 IonicContact NZ-OE2 2.75Å; K212-E233 PolarHBondContact NZ-OE2 3.29Å; D213-E233 PolarHBondContact N-O 3Å; D213-E233 PolarHBondContact O-N 3.31Å |
| 234 | Y | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 158.9 | 174.5 | -70.2 | -95.5 | 0 | 0 | 0 | 111.7 | R102 C184 L186 M204 T208 G210 V211 I232 S236 A239 A240 A243 | R102-Y234 PolarHBondContact NH2-O 3.18Å; C184-Y234 PolarHBondContact O-N 2.87Å; L186-Y234 HydrophobicContact CB-CE2 4.32Å; L186-Y234 HydrophobicContact CD1-CD2 4.46Å; L186-Y234 HydrophobicContact CD1-CE2 3.66Å; L186-Y234 HydrophobicContact CG-CD2 4.3Å; L186-Y234 HydrophobicContact CG-CE2 3.84Å; M204-Y234 WeakPolarHBondContact CE-OH 3.3Å; T208-Y234 PolarHBondContact OG1-OH 2.81Å; G210-Y234 CarbonylContact O-C 3.44Å; G210-Y234 VanDerWaalsContact O-CA 3.31Å; G210-Y234 WeakPolarHBondContact O-CA 3.26Å; V211-Y234 HydrophobicContact CB-CE1 4.43Å; V211-Y234 HydrophobicContact CG2-CD1 4.11Å; V211-Y234 HydrophobicContact CG2-CE1 3.43Å; V211-Y234 VanDerWaalsContact CG2-CE1 3.43Å; I232-Y234 HydrophobicContact CB-CE2 3.94Å; I232-Y234 HydrophobicContact CG2-CD2 4.12Å; I232-Y234 HydrophobicContact CG2-CE2 3.44Å; I232-Y234 VanDerWaalsContact CG2-CE2 3.44Å; Y234-S236 PolarHBondContact O-N 3.12Å; Y234-A239 HydrophobicContact CD1-CB 4.11Å; Y234-A239 HydrophobicContact CG-CB 4.47Å; Y234-A240 HydrophobicContact CD2-CB 3.82Å; Y234-A240 HydrophobicContact CG-CB 4.04Å; Y234-A243 HydrophobicContact CD1-CB 4.31Å; Y234-A243 HydrophobicContact CE1-CB 3.51Å; Y234-A243 HydrophobicContact CE2-CB 4.05Å; Y234-A243 WeakPolarHBondContact OH-CB 3.35Å |
| 235 | G | 89.2 | Confident | 90.3 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -62.4 | -25.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R102 G210 | R102-G235 PolarHBondContact NH2-O 2.91Å; G210-G235 PolarHBondContact O-N 3.47Å |
| 236 | S | 86.7 | Confident | 90.3 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -152.4 | 160.3 | 175.3 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | C184 Y234 K238 A239 A240 | C184-S236 VanDerWaalsContact SG-C 3.56Å; Y234-S236 PolarHBondContact O-N 3.12Å; S236-K238 PolarHBondContact O-N 2.84Å; S236-A239 WeakPolarHBondContact O-CB 3.23Å; S236-A239 PolarHBondContact O-N 3.18Å; S236-A239 VanDerWaalsContact O-N 3.12Å; S236-A239 PolarHBondContact OG-N 2.93Å; S236-A239 VanDerWaalsContact OG-N 3.14Å; S236-A240 PolarHBondContact O-N 2.91Å |
| 237 | H | 86.2 | Confident | 90.2 | Very high | 79 Ų | 79 | 49 Ų | 49 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.2 | -35.7 | 171.2 | 179.6 | 68.7 | 0 | 0 | 0 | 111.7 | N183 C184 A239 A240 A241 W263 | N183-H237 PolarHBondContact O-ND1 3.38Å; C184-H237 PolarHBondContact SG-N 2.87Å; H237-A239 PolarHBondContact O-N 3.25Å; H237-A240 PolarHBondContact O-N 3.28Å; H237-A241 VanDerWaalsContact O-CB 3.26Å; H237-A241 WeakPolarHBondContact O-CB 3.31Å; H237-A241 PolarHBondContact O-N 3.37Å; H237-W263 AromaticContact CE1-CH2 3.28Å; H237-W263 WeakPolarHBondContact CE1-CH2 3.26Å; H237-W263 AromaticContact CE1-CZ2 3.68Å; H237-W263 AromaticContact CE1-CZ3 3.88Å; H237-W263 AromaticContact ND1-CH2 3.61Å; H237-W263 AromaticContact ND1-CZ3 3.87Å |
| 238 | K | 85.8 | Confident | 89.7 | Confident | 166 Ų | 166 | 47.6 Ų | 47.6 | 72% | 0.722 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -58.8 | -44.6 | 173.3 | -176.6 | 177.5 | 177.9 | -179.9 | 0 | 111.6 | S236 A241 M242 | S236-K238 PolarHBondContact O-N 2.84Å; K238-A241 PolarHBondContact O-N 3.01Å; K238-M242 VanDerWaalsContact O-CG 3.29Å; K238-M242 WeakPolarHBondContact O-CG 3.42Å; K238-M242 PolarHBondContact O-N 2.82Å |
| 239 | A | 90.7 | Very high | 88.5 | Confident | 19 Ų | 19 | 51 Ų | 51 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y234 S236 H237 A241 M242 A243 | Y234-A239 HydrophobicContact CD1-CB 4.11Å; Y234-A239 HydrophobicContact CG-CB 4.47Å; S236-A239 WeakPolarHBondContact O-CB 3.23Å; S236-A239 PolarHBondContact O-N 3.18Å; S236-A239 VanDerWaalsContact O-N 3.12Å; S236-A239 PolarHBondContact OG-N 2.93Å; S236-A239 VanDerWaalsContact OG-N 3.14Å; H237-A239 PolarHBondContact O-N 3.25Å; A239-A241 VanDerWaalsContact C-N 3.35Å; A239-A241 PolarHBondContact O-N 3.03Å; A239-M242 PolarHBondContact O-N 2.66Å; A239-A243 WeakPolarHBondContact O-CB 3.37Å; A239-A243 PolarHBondContact O-N 2.84Å |
| 240 | A | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L186 Y234 S236 H237 M242 A243 R244 W263 | L186-A240 HydrophobicContact CD2-CB 4.32Å; L186-A240 HydrophobicContact CG-CB 4.35Å; Y234-A240 HydrophobicContact CD2-CB 3.82Å; Y234-A240 HydrophobicContact CG-CB 4.04Å; S236-A240 PolarHBondContact O-N 2.91Å; H237-A240 PolarHBondContact O-N 3.28Å; A240-M242 PolarHBondContact O-N 3.42Å; A240-A243 PolarHBondContact O-N 3Å; A240-R244 WeakPolarHBondContact O-CB 3.48Å; A240-R244 PolarHBondContact O-N 2.79Å; A240-W263 HydrophobicContact CB-CH2 4.07Å; A240-W263 HydrophobicContact CB-CZ3 3.65Å |
| 241 | A | 90.2 | Very high | 85.7 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.8 | -31.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | H237 K238 A239 R245 W263 | H237-A241 VanDerWaalsContact O-CB 3.26Å; H237-A241 WeakPolarHBondContact O-CB 3.31Å; H237-A241 PolarHBondContact O-N 3.37Å; K238-A241 PolarHBondContact O-N 3.01Å; A239-A241 VanDerWaalsContact C-N 3.35Å; A239-A241 PolarHBondContact O-N 3.03Å; A241-R245 PolarHBondContact O-NE 3.31Å; A241-R245 PolarHBondContact O-NH2 3.35Å; A241-W263 HydrophobicContact CB-CH2 3.85Å; A241-W263 HydrophobicContact CB-CZ2 4.09Å |
| 242 | M | 89.5 | Confident | 84.6 | Confident | 84 Ų | 84 | 59.8 Ų | 59.8 | 41% | 0.414 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.6 | -43.2 | 170.5 | -72.3 | -65.4 | -65.3 | 0 | 0 | 111 | K238 A239 A240 R245 K246 | K238-M242 VanDerWaalsContact O-CG 3.29Å; K238-M242 WeakPolarHBondContact O-CG 3.42Å; K238-M242 PolarHBondContact O-N 2.82Å; A239-M242 PolarHBondContact O-N 2.66Å; A240-M242 PolarHBondContact O-N 3.42Å; M242-R245 PolarHBondContact O-N 3.08Å; M242-R245 VanDerWaalsContact SD-CZ 3.57Å; M242-R245 PolarHBondContact SD-NH2 2.93Å; M242-K246 PolarHBondContact O-N 3.34Å |
| 243 | A | 92.1 | Very high | 83.6 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L186 T208 Y234 A239 A240 R245 K246 L247 | L186-A243 HydrophobicContact CD1-CB 3.85Å; T208-A243 HydrophobicContact CG2-CB 3.76Å; Y234-A243 HydrophobicContact CD1-CB 4.31Å; Y234-A243 HydrophobicContact CE1-CB 3.51Å; Y234-A243 HydrophobicContact CE2-CB 4.05Å; Y234-A243 WeakPolarHBondContact OH-CB 3.35Å; A239-A243 WeakPolarHBondContact O-CB 3.37Å; A239-A243 PolarHBondContact O-N 2.84Å; A240-A243 PolarHBondContact O-N 3Å; A243-R245 VanDerWaalsContact C-N 3.25Å; A243-R245 PolarHBondContact O-N 2.74Å; A243-K246 PolarHBondContact O-N 3.46Å; A243-K246 VanDerWaalsContact O-N 3.12Å; A243-L247 WeakPolarHBondContact O-CB 3.4Å; A243-L247 WeakPolarHBondContact O-CD1 3.36Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.02Å |
| 244 | R | 91 | Very high | 82.8 | Confident | 75 Ų | 75 | 63 Ų | 63 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.3 | -41.5 | 174.2 | -172.5 | 172.3 | 178.5 | -93.2 | 7.9 | 111.2 | L186 A240 L247 L248 V261 D262 | L186-R244 HydrophobicContact CD1-CB 4.07Å; L186-R244 HydrophobicContact CD2-CB 3.99Å; L186-R244 HydrophobicContact CD2-CG 4.48Å; A240-R244 WeakPolarHBondContact O-CB 3.48Å; A240-R244 PolarHBondContact O-N 2.79Å; R244-L247 PolarHBondContact O-N 2.67Å; R244-L248 HydrophobicContact CG-CD1 4.2Å; R244-L248 WeakPolarHBondContact O-CD1 3.47Å; R244-L248 PolarHBondContact O-N 2.91Å; R244-V261 HydrophobicContact CG-CG1 4.39Å; R244-D262 IonicContact CZ-OD1 2.93Å; R244-D262 VanDerWaalsContact CZ-OD1 3.25Å; R244-D262 IonicContact NE-OD1 3.8Å; R244-D262 PolarHBondContact NE-OD1 3.29Å; R244-D262 IonicContact NH2-OD1 3.79Å; R244-D262 PolarHBondContact NH2-OD1 2.84Å |
| 245 | R | 88.2 | Confident | 82.2 | Confident | 152 Ų | 152 | 65.9 Ų | 65.9 | 57% | 0.574 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -69.6 | -38.3 | 175.8 | -80 | 177.7 | -73.8 | 150.8 | -4.3 | 113.8 | A241 M242 A243 L247 | A241-R245 PolarHBondContact O-NE 3.31Å; A241-R245 PolarHBondContact O-NH2 3.35Å; M242-R245 PolarHBondContact O-N 3.08Å; M242-R245 VanDerWaalsContact SD-CZ 3.57Å; M242-R245 PolarHBondContact SD-NH2 2.93Å; A243-R245 VanDerWaalsContact C-N 3.25Å; A243-R245 PolarHBondContact O-N 2.74Å; R245-L247 VanDerWaalsContact C-N 3.33Å |
| 246 | K | 87.4 | Confident | 81.6 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 172.9 | -78.8 | -176.5 | 167.3 | -172.6 | 0 | 112.2 | T208 D209 M242 A243 I252 | T208-K246 HydrophobicContact CG2-CB 4.35Å; T208-K246 HydrophobicContact CG2-CD 4.24Å; D209-K246 IonicContact OD1-NZ 3.01Å; D209-K246 IonicContact OD2-NZ 3.2Å; D209-K246 PolarHBondContact OD2-NZ 2.83Å; M242-K246 PolarHBondContact O-N 3.34Å; A243-K246 PolarHBondContact O-N 3.46Å; A243-K246 VanDerWaalsContact O-N 3.12Å; K246-I252 VanDerWaalsContact O-CD1 3.24Å; K246-I252 WeakPolarHBondContact O-CD1 3.44Å |
| 247 | L | 85.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 10.5 | -171.8 | -59.7 | 166.1 | 0 | 0 | 0 | 114.1 | M204 V207 T208 A243 R244 R245 I252 I259 V261 | M204-L247 HydrophobicContact CE-CD1 3.47Å; M204-L247 VanDerWaalsContact CE-CD1 3.47Å; M204-L247 HydrophobicContact CE-CD2 4.36Å; V207-L247 HydrophobicContact CG1-CD2 3.72Å; T208-L247 HydrophobicContact CG2-CD1 3.74Å; T208-L247 HydrophobicContact CG2-CD2 4.05Å; T208-L247 HydrophobicContact CG2-CG 3.8Å; A243-L247 WeakPolarHBondContact O-CB 3.4Å; A243-L247 WeakPolarHBondContact O-CD1 3.36Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.02Å; R244-L247 PolarHBondContact O-N 2.67Å; R245-L247 VanDerWaalsContact C-N 3.33Å; L247-I252 HydrophobicContact CD2-CD1 4.46Å; L247-I259 HydrophobicContact CB-CD1 4.03Å; L247-I259 HydrophobicContact CD2-CD1 3.81Å; L247-I259 HydrophobicContact CG-CD1 4.42Å; L247-V261 HydrophobicContact CB-CB 4.19Å; L247-V261 HydrophobicContact CB-CG1 4.31Å; L247-V261 HydrophobicContact CB-CG2 3.7Å; L247-V261 HydrophobicContact CD1-CG1 4.35Å; L247-V261 HydrophobicContact CD1-CG2 4.25Å |
| 248 | L | 78.4 | Confident | 81 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 40% | 0.398 | 37% | 0.374 | S | S | . | . | trans | -63.1 | 140.7 | -176.6 | -133.7 | 71.4 | 0 | 0 | 0 | 110.5 | R244 G250 H251 | R244-L248 HydrophobicContact CG-CD1 4.2Å; R244-L248 WeakPolarHBondContact O-CD1 3.47Å; R244-L248 PolarHBondContact O-N 2.91Å; L248-G250 PolarHBondContact O-N 2.87Å; L248-H251 PolarHBondContact O-N 3.14Å | ||
| 249 | P | 65.7 | Low | 81.1 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 127.2 | -172.8 | -29.1 | 36.6 | 0 | 0 | 0 | 113.4 | ||
| 250 | G | 63 | Low | 81 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 62% | 0.619 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.7 | -27.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L248 | L248-G250 PolarHBondContact O-N 2.87Š|
| 251 | H | 63.8 | Low | 80.9 | Confident | 165 Ų | 165 | 66.9 Ų | 66.9 | 76% | 0.764 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -92.8 | -32.8 | -177.8 | -76.3 | -71.8 | 0 | 0 | 0 | 114.9 | L248 | L248-H251 PolarHBondContact O-N 3.14Š|
| 252 | I | 69.8 | Low | 81 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | trans | -134.3 | 133.9 | -172.6 | -55 | -173.6 | 0 | 0 | 0 | 110.6 | V207 K246 L247 L254 | V207-I252 HydrophobicContact CG1-CD1 3.58Å; V207-I252 HydrophobicContact CG1-CG2 4.47Å; K246-I252 VanDerWaalsContact O-CD1 3.24Å; K246-I252 WeakPolarHBondContact O-CD1 3.44Å; L247-I252 HydrophobicContact CD2-CD1 4.46Å; I252-L254 HydrophobicContact CG2-CD2 3.64Å; I252-L254 HydrophobicContact CG2-CG 4.32Å | ||
| 253 | H | 74.3 | Confident | 81.1 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 49% | 0.486 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.3 | 169.5 | -65.7 | 79.5 | 0 | 0 | 0 | 108.7 | H257 Q258 | H253-H257 CarbonylContact C-O 3.56Å; H253-H257 VanDerWaalsContact CA-O 3.3Å; H253-H257 WeakPolarHBondContact CA-O 3.22Å; H253-Q258 WeakPolarHBondContact NE2-CG 3.13Å |
| 254 | L | 76.1 | Confident | 81 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.5 | 174 | -58.3 | -173.2 | 0 | 0 | 0 | 109.1 | E203 M204 V207 I252 G256 H257 I259 | E203-L254 HydrophobicContact CG-CD1 4.26Å; E203-L254 HydrophobicContact CG-CD2 4.02Å; E203-L254 HydrophobicContact CG-CG 4.49Å; M204-L254 HydrophobicContact SD-CD1 3.73Å; V207-L254 HydrophobicContact CG2-CD2 3.99Å; I252-L254 HydrophobicContact CG2-CD2 3.64Å; I252-L254 HydrophobicContact CG2-CG 4.32Å; L254-G256 PolarHBondContact O-N 3.12Å; L254-G256 VanDerWaalsContact O-N 3.09Å; L254-H257 PolarHBondContact N-O 2.84Å; L254-H257 PolarHBondContact O-N 3.11Å; L254-I259 HydrophobicContact CB-CG2 4.06Å; L254-I259 HydrophobicContact CD1-CD1 3.86Å; L254-I259 HydrophobicContact CD1-CG2 4.24Å; L254-I259 HydrophobicContact CG-CD1 3.98Å; L254-I259 HydrophobicContact CG-CG2 4.21Å |
| 255 | W | 81.2 | Confident | 80.8 | Confident | 62 Ų | 62 | 72 Ų | 72 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 33.9 | -175.3 | -45.5 | -72.3 | 0 | 0 | 0 | 114 | I191 P192 K195 I200 E203 H257 | I191-W255 HydrophobicContact CG1-CZ3 4.38Å; I191-W255 HydrophobicContact CG2-CH2 4.29Å; I191-W255 HydrophobicContact CG2-CZ3 3.92Å; P192-W255 VanDerWaalsContact CD-CE3 3.47Å; P192-W255 HydrophobicContact CG-CB 3.91Å; P192-W255 HydrophobicContact CG-CD2 4.42Å; P192-W255 HydrophobicContact CG-CE3 4.16Å; P192-W255 HydrophobicContact CG-CG 4.38Å; K195-W255 VanDerWaalsContact CE-CD1 3.49Å; K195-W255 HydrophobicContact CG-CD2 4.37Å; I200-W255 HydrophobicContact CB-CH2 4.3Å; I200-W255 HydrophobicContact CG1-CH2 3.96Å; I200-W255 HydrophobicContact CG1-CZ2 4.34Å; I200-W255 HydrophobicContact CG2-CH2 4.28Å; E203-W255 HydrophobicContact CB-CH2 4.21Å; E203-W255 HydrophobicContact CB-CZ2 3.5Å; E203-W255 VanDerWaalsContact CB-CZ2 3.5Å; E203-W255 HydrophobicContact CG-CH2 4.17Å; E203-W255 HydrophobicContact CG-CZ2 3.63Å; W255-H257 PolarHBondContact O-N 2.97Å; W255-H257 PolarHBondContact O-ND1 2.91Å |
| 256 | G | 76.5 | Confident | 80.4 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 3.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L254 | L254-G256 PolarHBondContact O-N 3.12Å; L254-G256 VanDerWaalsContact O-N 3.09Å |
| 257 | H | 78.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 69.8 Ų | 69.8 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 149.6 | 178.8 | -68.8 | 63.2 | 0 | 0 | 0 | 110.7 | H253 L254 W255 | H253-H257 CarbonylContact C-O 3.56Å; H253-H257 VanDerWaalsContact CA-O 3.3Å; H253-H257 WeakPolarHBondContact CA-O 3.22Å; L254-H257 PolarHBondContact N-O 2.84Å; L254-H257 PolarHBondContact O-N 3.11Å; W255-H257 PolarHBondContact O-N 2.97Å; W255-H257 PolarHBondContact O-ND1 2.91Å |
| 258 | Q | 81.6 | Confident | 79.3 | Confident | 146 Ų | 146 | 75.1 Ų | 75.1 | 68% | 0.682 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 123.9 | 168.2 | -69.4 | -178.2 | 21.1 | 0 | 0 | 108.9 | H253 | H253-Q258 WeakPolarHBondContact NE2-CG 3.13Å |
| 259 | I | 88 | Confident | 79 | Confident | 6 Ų | 6 | 80.5 Ų | 80.5 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -90 | 146.4 | 174.3 | 56.3 | 171.1 | 0 | 0 | 0 | 110.6 | V188 G189 L247 L254 V261 | V188-I259 HydrophobicContact CG1-CB 4.3Å; V188-I259 HydrophobicContact CG1-CG2 4.34Å; G189-I259 WeakPolarHBondContact O-CA 3.39Å; L247-I259 HydrophobicContact CB-CD1 4.03Å; L247-I259 HydrophobicContact CD2-CD1 3.81Å; L247-I259 HydrophobicContact CG-CD1 4.42Å; L254-I259 HydrophobicContact CB-CG2 4.06Å; L254-I259 HydrophobicContact CD1-CD1 3.86Å; L254-I259 HydrophobicContact CD1-CG2 4.24Å; L254-I259 HydrophobicContact CG-CD1 3.98Å; L254-I259 HydrophobicContact CG-CG2 4.21Å; I259-V261 HydrophobicContact CB-CG2 4.39Å; I259-V261 HydrophobicContact CD1-CG2 3.69Å; I259-V261 HydrophobicContact CG1-CG2 4.09Å |
| 260 | A | 88.4 | Confident | 79.6 | Confident | 53 Ų | 53 | 78.2 Ų | 78.2 | 44% | 0.438 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | V188 G189 | V188-A260 WeakPolarHBondContact CA-O 3.23Å; G189-A260 PolarHBondContact N-O 2.85Å; G189-A260 PolarHBondContact O-N 3Å |
| 261 | V | 90.5 | Very high | 80.3 | Confident | 11 Ų | 11 | 80.7 Ų | 80.7 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.4 | -178.1 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | L186 F187 V188 R244 L247 I259 | L186-V261 HydrophobicContact CB-CG1 4.37Å; L186-V261 HydrophobicContact CD1-CG1 3.94Å; F187-V261 WeakPolarHBondContact O-CA 3.49Å; V188-V261 HydrophobicContact CB-CG2 4.5Å; V188-V261 HydrophobicContact CG1-CG2 4.17Å; V188-V261 HydrophobicContact CG2-CG1 4.24Å; V188-V261 HydrophobicContact CG2-CG2 3.97Å; R244-V261 HydrophobicContact CG-CG1 4.39Å; L247-V261 HydrophobicContact CB-CB 4.19Å; L247-V261 HydrophobicContact CB-CG1 4.31Å; L247-V261 HydrophobicContact CB-CG2 3.7Å; L247-V261 HydrophobicContact CD1-CG1 4.35Å; L247-V261 HydrophobicContact CD1-CG2 4.25Å; I259-V261 HydrophobicContact CB-CG2 4.39Å; I259-V261 HydrophobicContact CD1-CG2 3.69Å; I259-V261 HydrophobicContact CG1-CG2 4.09Å |
| 262 | D | 92 | Very high | 81.2 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 42% | 0.422 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 174.6 | 172.9 | -150.9 | -5.1 | 0 | 0 | 0 | 111.9 | L186 F187 R244 | L186-D262 CarbonylContact C-O 3.59Å; L186-D262 WeakPolarHBondContact CA-O 3.13Å; F187-D262 PolarHBondContact N-O 2.69Å; F187-D262 PolarHBondContact O-N 2.8Å; R244-D262 IonicContact CZ-OD1 2.93Å; R244-D262 VanDerWaalsContact CZ-OD1 3.25Å; R244-D262 IonicContact NE-OD1 3.8Å; R244-D262 PolarHBondContact NE-OD1 3.29Å; R244-D262 IonicContact NH2-OD1 3.79Å; R244-D262 PolarHBondContact NH2-OD1 2.84Å |
| 263 | W | 91 | Very high | 81.8 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 28% | 0.28 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 137.4 | 167.6 | -67 | 117.8 | 0 | 0 | 0 | 110.3 | N183 L186 H237 A240 A241 | N183-W263 HydrophobicContact CB-CE3 4.33Å; N183-W263 WeakPolarHBondContact O-CZ3 3.32Å; L186-W263 HydrophobicContact CD2-CD2 4.15Å; L186-W263 HydrophobicContact CD2-CE3 3.49Å; L186-W263 VanDerWaalsContact CD2-CE3 3.49Å; L186-W263 HydrophobicContact CD2-CH2 4.44Å; L186-W263 HydrophobicContact CD2-CZ3 3.65Å; H237-W263 AromaticContact CE1-CH2 3.28Å; H237-W263 WeakPolarHBondContact CE1-CH2 3.26Å; H237-W263 AromaticContact CE1-CZ2 3.68Å; H237-W263 AromaticContact CE1-CZ3 3.88Å; H237-W263 AromaticContact ND1-CH2 3.61Å; H237-W263 AromaticContact ND1-CZ3 3.87Å; A240-W263 HydrophobicContact CB-CH2 4.07Å; A240-W263 HydrophobicContact CB-CZ3 3.65Å; A241-W263 HydrophobicContact CB-CH2 3.85Å; A241-W263 HydrophobicContact CB-CZ2 4.09Å |
| 264 | A | 91.4 | Very high | 82.4 | Confident | 4 Ų | 4 | 82.6 Ų | 82.6 | 3% | 0.033 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 147.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | N183 R185 F231 P266 | N183-A264 PolarHBondContact ND2-O 3.21Å; R185-A264 HydrophobicContact CB-CB 3.88Å; R185-A264 HydrophobicContact CG-CB 3.82Å; R185-A264 VanDerWaalsContact O-CB 3.23Å; R185-A264 WeakPolarHBondContact O-CB 3.3Å; R185-A264 PolarHBondContact O-N 2.79Å; F231-A264 HydrophobicContact CD1-CB 3.73Å; F231-A264 HydrophobicContact CE1-CB 3.93Å; A264-P266 WeakPolarHBondContact O-CD 3.47Å |
| 265 | E | 86.6 | Confident | 82.8 | Confident | 131 Ų | 131 | 84.6 Ų | 84.6 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 120.7 | 165.7 | -172.2 | 174.7 | -148.9 | 0 | 0 | 108.1 | E267 R363 | E265-E267 PolarHBondContact O-N 2.85Å; E265-R363 IonicContact OE1-CZ 3.42Å; E265-R363 IonicContact OE1-NH2 2.85Å; E265-R363 PolarHBondContact OE1-NH2 3.47Å; E265-R363 IonicContact OE2-NH2 3.25Å; E265-R363 PolarHBondContact OE2-NH2 3.43Å |
| 266 | P | 79.8 | Confident | 83.1 | Confident | 71 Ų | 71 | 84.3 Ų | 84.3 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 130.2 | -179.3 | -27.1 | 36 | 0 | 0 | 0 | 110.9 | V181 A264 R268 | V181-P266 HydrophobicContact CG1-CB 3.91Å; V181-P266 HydrophobicContact CG1-CG 4.03Å; A264-P266 WeakPolarHBondContact O-CD 3.47Å; P266-R268 PolarHBondContact O-N 3.28Å |
| 267 | E | 76.6 | Confident | 83.6 | Confident | 116 Ų | 116 | 88.3 Ų | 88.3 | 54% | 0.542 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -77 | 120.8 | -177.4 | -161.1 | -176.4 | 136.3 | 0 | 0 | 109.5 | R185 E265 E269 K353 | R185-E267 IonicContact CZ-OE2 2.81Å; R185-E267 IonicContact NH1-OE2 2.74Å; R185-E267 PolarHBondContact NH1-OE2 2.99Å; R185-E267 IonicContact NH2-OE2 2.75Å; E265-E267 PolarHBondContact O-N 2.85Å; E267-E269 PolarHBondContact O-N 3.22Å; E267-E269 VanDerWaalsContact O-N 3.16Å; E267-K353 IonicContact OE1-NZ 3.29Å; E267-K353 PolarHBondContact OE1-NZ 2.86Å |
| 268 | R | 72.9 | Confident | 84.2 | Confident | 112 Ų | 112 | 84.4 Ų | 84.4 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 120.6 | -175.3 | -62.2 | 173.7 | -173.1 | -162.2 | -16.3 | 111.2 | P266 K353 E359 | P266-R268 PolarHBondContact O-N 3.28Å; R268-K353 PolarHBondContact O-NZ 2.81Å; R268-E359 IonicContact CZ-OE1 2.79Å; R268-E359 IonicContact CZ-OE2 2.97Å; R268-E359 VanDerWaalsContact NH1-CD 3.34Å; R268-E359 IonicContact NH1-OE1 3Å; R268-E359 PolarHBondContact NH1-OE1 2.9Å; R268-E359 IonicContact NH1-OE2 3.72Å; R268-E359 PolarHBondContact NH1-OE2 2.91Å; R268-E359 VanDerWaalsContact NH2-CD 3.32Å; R268-E359 IonicContact NH2-OE1 3.69Å; R268-E359 PolarHBondContact NH2-OE1 3.36Å; R268-E359 IonicContact NH2-OE2 2.83Å; R268-E359 PolarHBondContact NH2-OE2 2.83Å |
| 269 | E | 72.2 | Confident | 84.8 | Confident | 190 Ų | 190 | 81.9 Ų | 81.9 | 89% | 0.888 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -75 | 144.7 | 162.3 | -61.1 | -172.6 | 177.4 | 0 | 0 | 108.5 | E267 | E267-E269 PolarHBondContact O-N 3.22Å; E267-E269 VanDerWaalsContact O-N 3.16Å |
| 270 | V | 77.9 | Confident | 85.1 | Confident | 39 Ų | 39 | 84.2 Ų | 84.2 | 24% | 0.236 | 42% | 0.422 | C | S | . | . | trans | -134 | 129.9 | -177.7 | 177.5 | 0 | 0 | 0 | 0 | 107.1 | E272 I274 M275 P354 | V270-E272 PolarHBondContact O-N 3.32Å; V270-I274 HydrophobicContact CG1-CB 4.11Å; V270-I274 HydrophobicContact CG1-CD1 4.46Å; V270-I274 HydrophobicContact CG1-CG2 4.3Å; V270-M275 HydrophobicContact CB-CG 4.1Å; V270-M275 HydrophobicContact CB-SD 4.09Å; V270-M275 HydrophobicContact CG1-CG 3.97Å; V270-M275 HydrophobicContact CG1-SD 3.98Å; V270-P354 HydrophobicContact CG1-CG 3.76Å | ||
| 271 | N | 78.2 | Confident | 85.4 | Confident | 113 Ų | 113 | 81.7 Ų | 81.7 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | trans | -50.9 | 136.4 | -176.8 | -61.7 | -8.1 | 0 | 0 | 0 | 111.8 | D273 I274 M275 | N271-D273 PolarHBondContact O-N 3.46Å; N271-I274 HydrophobicContact CB-CD1 4.07Å; N271-I274 HydrophobicContact CB-CG1 4.15Å; N271-I274 WeakPolarHBondContact O-CB 3.44Å; N271-I274 PolarHBondContact O-N 3.4Å; N271-M275 PolarHBondContact O-N 3.35Å; N271-M275 VanDerWaalsContact O-N 3.13Å | ||
| 272 | E | 82 | Confident | 85.6 | Confident | 167 Ų | 167 | 84.2 Ų | 84.2 | 78% | 0.78 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.2 | -33.4 | -175.4 | -62.9 | -177.3 | 178.7 | 0 | 0 | 111.8 | V270 I274 M275 S276 | V270-E272 PolarHBondContact O-N 3.32Å; E272-I274 PolarHBondContact O-N 3.48Å; E272-I274 VanDerWaalsContact O-N 3.15Å; E272-M275 CarbonylContact O-C 3.48Å; E272-M275 PolarHBondContact O-N 2.82Å; E272-S276 VanDerWaalsContact O-CB 3.31Å; E272-S276 WeakPolarHBondContact O-CB 3.49Å; E272-S276 PolarHBondContact O-N 3.24Å; E272-S276 PolarHBondContact O-OG 3.09Å |
| 273 | D | 83.5 | Confident | 85.7 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.7 | -15.1 | 172.6 | -64.5 | -56.6 | 0 | 0 | 0 | 115.5 | N271 S276 K277 | N271-D273 PolarHBondContact O-N 3.46Å; D273-S276 WeakPolarHBondContact CA-OG 3.41Å; D273-S276 PolarHBondContact O-OG 3.44Å; D273-K277 VanDerWaalsContact O-CD 3.28Å; D273-K277 WeakPolarHBondContact O-CD 3.36Å; D273-K277 VanDerWaalsContact O-CE 3.27Å; D273-K277 WeakPolarHBondContact O-CE 3.45Å; D273-K277 PolarHBondContact O-NZ 2.83Å |
| 274 | I | 85.2 | Confident | 85.8 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 41% | 0.41 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -97 | -45.8 | 174 | -52.5 | 175.1 | 0 | 0 | 0 | 108.4 | V270 N271 E272 S276 K277 V278 P354 | V270-I274 HydrophobicContact CG1-CB 4.11Å; V270-I274 HydrophobicContact CG1-CD1 4.46Å; V270-I274 HydrophobicContact CG1-CG2 4.3Å; N271-I274 HydrophobicContact CB-CD1 4.07Å; N271-I274 HydrophobicContact CB-CG1 4.15Å; N271-I274 WeakPolarHBondContact O-CB 3.44Å; N271-I274 PolarHBondContact O-N 3.4Å; E272-I274 PolarHBondContact O-N 3.48Å; E272-I274 VanDerWaalsContact O-N 3.15Å; I274-S276 PolarHBondContact O-N 2.83Å; I274-K277 PolarHBondContact O-N 2.88Å; I274-V278 PolarHBondContact O-N 3.14Å; I274-P354 HydrophobicContact CG2-CG 3.86Å |
| 275 | M | 85.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 21% | 0.212 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.2 | -28.5 | 175.9 | -66.9 | -61.4 | -65.1 | 0 | 0 | 113.1 | V270 N271 E272 K277 V278 R327 W351 | V270-M275 HydrophobicContact CB-CG 4.1Å; V270-M275 HydrophobicContact CB-SD 4.09Å; V270-M275 HydrophobicContact CG1-CG 3.97Å; V270-M275 HydrophobicContact CG1-SD 3.98Å; N271-M275 PolarHBondContact O-N 3.35Å; N271-M275 VanDerWaalsContact O-N 3.13Å; E272-M275 CarbonylContact O-C 3.48Å; E272-M275 PolarHBondContact O-N 2.82Å; M275-K277 VanDerWaalsContact C-N 3.25Å; M275-K277 PolarHBondContact O-N 2.81Å; M275-V278 HydrophobicContact SD-CG2 4.4Å; M275-R327 PolarHBondContact O-NH1 2.93Å; M275-R327 PolarHBondContact O-NH2 2.91Å; M275-W351 HydrophobicContact CE-CB 3.77Å |
| 276 | S | 86.2 | Confident | 85.8 | Confident | 56 Ų | 56 | 76 Ų | 76 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.5 | 173.2 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | E272 D273 I274 R327 | E272-S276 VanDerWaalsContact O-CB 3.31Å; E272-S276 WeakPolarHBondContact O-CB 3.49Å; E272-S276 PolarHBondContact O-N 3.24Å; E272-S276 PolarHBondContact O-OG 3.09Å; D273-S276 WeakPolarHBondContact CA-OG 3.41Å; D273-S276 PolarHBondContact O-OG 3.44Å; I274-S276 PolarHBondContact O-N 2.83Å; S276-R327 WeakPolarHBondContact O-CD 3.38Å; S276-R327 PolarHBondContact O-NE 2.92Å; S276-R327 VanDerWaalsContact O-NE 3.11Å; S276-R327 PolarHBondContact O-NH1 2.98Å |
| 277 | K | 88.2 | Confident | 86.1 | Confident | 151 Ų | 151 | 75.5 Ų | 75.5 | 66% | 0.657 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -8.7 | -179.6 | -63.9 | 169.8 | -173.3 | 134.4 | 0 | 113.3 | D273 I274 M275 | D273-K277 VanDerWaalsContact O-CD 3.28Å; D273-K277 WeakPolarHBondContact O-CD 3.36Å; D273-K277 VanDerWaalsContact O-CE 3.27Å; D273-K277 WeakPolarHBondContact O-CE 3.45Å; D273-K277 PolarHBondContact O-NZ 2.83Å; I274-K277 PolarHBondContact O-N 2.88Å; M275-K277 VanDerWaalsContact C-N 3.25Å; M275-K277 PolarHBondContact O-N 2.81Å |
| 278 | V | 91.1 | Very high | 86.6 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | trans | -63.8 | 133.9 | 178.1 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | I274 M275 I280 R327 W351 | I274-V278 PolarHBondContact O-N 3.14Å; M275-V278 HydrophobicContact SD-CG2 4.4Å; V278-I280 HydrophobicContact CG1-CB 4.28Å; V278-I280 WeakPolarHBondContact CG1-O 3.23Å; V278-R327 PolarHBondContact O-NH1 3.37Å; V278-W351 HydrophobicContact CB-CE3 4.35Å; V278-W351 HydrophobicContact CG1-CE3 3.89Å; V278-W351 WeakPolarHBondContact O-CZ3 3.4Å | ||
| 279 | K | 93.1 | Very high | 87.3 | Confident | 93 Ų | 93 | 73.2 Ų | 73.2 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | trans | -117.9 | 14.7 | 172.4 | -57.3 | -176.8 | 174.1 | -177.4 | 0 | 112.9 | F324 R325 R327 | K279-F324 WeakPolarHBondContact CB-O 3.38Å; K279-F324 PolarHBondContact O-N 3.33Å; K279-R325 WeakPolarHBondContact CD-O 3.43Å; K279-R325 WeakPolarHBondContact CE-O 3.46Å; K279-R325 PolarHBondContact NZ-O 2.96Å; K279-R327 HydrophobicContact CG-CB 4.25Å | ||
| 280 | I | 94.4 | Very high | 88.1 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.6 | -174.3 | -53.1 | 172.7 | 0 | 0 | 0 | 108.8 | V278 F321 I322 H323 A352 | V278-I280 HydrophobicContact CG1-CB 4.28Å; V278-I280 WeakPolarHBondContact CG1-O 3.23Å; I280-F321 HydrophobicContact CG2-CB 4.26Å; I280-F321 HydrophobicContact CG2-CD1 4.35Å; I280-I322 CarbonylContact C-O 3.6Å; I280-I322 WeakPolarHBondContact CA-O 3.14Å; I280-H323 HydrophobicContact CG1-CB 4.49Å; I280-A352 HydrophobicContact CB-CB 4Å; I280-A352 HydrophobicContact CG2-CB 3.73Å; I280-A352 WeakPolarHBondContact O-CB 3.29Å; I280-A352 PolarHBondContact O-N 2.81Å |
| 281 | L | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 141 | 171.8 | -58.3 | -176.8 | 0 | 0 | 0 | 110.3 | F299 F321 I322 F324 A330 C333 L334 V349 T350 W351 | L281-F299 HydrophobicContact CD1-CD1 4.29Å; L281-F299 HydrophobicContact CD1-CE1 3.97Å; L281-F321 WeakPolarHBondContact O-CA 3.2Å; L281-I322 PolarHBondContact N-O 3.12Å; L281-I322 PolarHBondContact O-N 3.02Å; L281-F324 HydrophobicContact CD1-CD2 4.4Å; L281-F324 HydrophobicContact CD1-CE2 3.6Å; L281-F324 HydrophobicContact CD1-CZ 4.23Å; L281-F324 HydrophobicContact CG-CD2 4.29Å; L281-F324 HydrophobicContact CG-CE2 3.89Å; L281-A330 WeakPolarHBondContact CD1-O 3.17Å; L281-A330 HydrophobicContact CD2-CB 4.2Å; L281-A330 HydrophobicContact CG-CB 4.22Å; L281-C333 HydrophobicContact CD1-CB 3.83Å; L281-L334 HydrophobicContact CD1-CB 4.48Å; L281-L334 HydrophobicContact CD2-CB 4.12Å; L281-L334 HydrophobicContact CD2-CD1 3.97Å; L281-L334 HydrophobicContact CD2-CG 4.43Å; L281-V349 HydrophobicContact CB-CG1 4.13Å; L281-V349 HydrophobicContact CD1-CG1 3.81Å; L281-V349 HydrophobicContact CD2-CG1 4.46Å; L281-V349 HydrophobicContact CG-CG1 4.36Å; L281-T350 WeakPolarHBondContact CA-O 3.27Å; L281-W351 HydrophobicContact CD2-CD2 4.27Å; L281-W351 HydrophobicContact CD2-CE3 3.73Å; L281-W351 HydrophobicContact CD2-CH2 4.37Å; L281-W351 HydrophobicContact CD2-CZ3 3.8Å |
| 282 | Y | 95 | Very high | 89.5 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.5 | 167.1 | 174.5 | -108.2 | 0 | 0 | 0 | 108.4 | R284 Y319 F321 T350 | Y282-R284 HydrophobicContact CE1-CB 3.89Å; Y282-R284 HydrophobicContact CE1-CG 4.42Å; Y282-Y319 HydrophobicContact CD2-CD2 4.46Å; Y282-Y319 AromaticContact CE2-CD2 3.6Å; Y282-Y319 HydrophobicContact CE2-CD2 3.6Å; Y282-Y319 HydrophobicContact CE2-CE2 4.4Å; Y282-Y319 AromaticContact CE2-CG 3.89Å; Y282-Y319 HydrophobicContact CE2-CG 3.89Å; Y282-F321 HydrophobicContact CD2-CD1 4.05Å; Y282-F321 AromaticContact CD2-CE1 3.54Å; Y282-F321 HydrophobicContact CD2-CE1 3.54Å; Y282-F321 HydrophobicContact CD2-CE2 4.44Å; Y282-F321 AromaticContact CD2-CZ 3.76Å; Y282-F321 HydrophobicContact CD2-CZ 3.76Å; Y282-F321 HydrophobicContact CE2-CE1 4.31Å; Y282-F321 HydrophobicContact CE2-CZ 4.07Å; Y282-F321 HydrophobicContact CG-CE1 4.34Å; Y282-T350 PolarHBondContact N-O 2.94Å; Y282-T350 PolarHBondContact O-N 2.79Å |
| 283 | V | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.7 | -179.3 | -171.7 | 0 | 0 | 0 | 0 | 108.3 | L286 F299 Y319 A320 I322 I347 E348 V349 | V283-L286 HydrophobicContact CG1-CD2 3.68Å; V283-L286 HydrophobicContact CG1-CG 4.31Å; V283-F299 HydrophobicContact CG1-CZ 4.29Å; V283-F299 HydrophobicContact CG2-CE1 4.07Å; V283-F299 HydrophobicContact CG2-CE2 4.12Å; V283-F299 HydrophobicContact CG2-CZ 3.48Å; V283-F299 VanDerWaalsContact CG2-CZ 3.48Å; V283-Y319 CarbonylContact O-C 3.58Å; V283-Y319 WeakPolarHBondContact O-CA 3.26Å; V283-Y319 VanDerWaalsContact O-CB 3.26Å; V283-Y319 WeakPolarHBondContact O-CB 3.36Å; V283-A320 PolarHBondContact N-O 2.97Å; V283-A320 PolarHBondContact O-N 3.23Å; V283-I322 HydrophobicContact CG2-CD1 3.78Å; V283-I322 HydrophobicContact CG2-CG1 4.22Å; V283-I347 HydrophobicContact CG1-CB 4.23Å; V283-I347 HydrophobicContact CG1-CD1 3.99Å; V283-E348 WeakPolarHBondContact CA-O 3.41Å; V283-V349 HydrophobicContact CG1-CG2 4.23Å; V283-V349 HydrophobicContact CG2-CG1 4.43Å; V283-V349 HydrophobicContact CG2-CG2 4.34Å |
| 284 | R | 91.7 | Very high | 90.4 | Very high | 78 Ų | 78 | 57.9 Ų | 57.9 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 166.9 | 179.8 | 70.9 | -177.3 | -167.2 | -172.9 | 4.7 | 112.6 | Y282 E348 | Y282-R284 HydrophobicContact CE1-CB 3.89Å; Y282-R284 HydrophobicContact CE1-CG 4.42Å; R284-E348 HydrophobicContact CG-CB 3.81Å; R284-E348 IonicContact CZ-OE2 3.66Å; R284-E348 PolarHBondContact N-O 2.78Å; R284-E348 IonicContact NE-OE2 2.6Å; R284-E348 PolarHBondContact NE-OE2 3.36Å; R284-E348 IonicContact NH2-OE2 2.79Å; R284-E348 PolarHBondContact NH2-OE2 3.18Å; R284-E348 PolarHBondContact O-N 2.73Å |
| 285 | N | 88.7 | Confident | 90.7 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.193 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 63.1 | 36 | -175.7 | -163.5 | 22.4 | 0 | 0 | 0 | 114.2 | K223 D318 S345 K346 | K223-N285 WeakPolarHBondContact CD-OD1 3.31Å; K223-N285 VanDerWaalsContact CE-OD1 3.28Å; K223-N285 WeakPolarHBondContact CE-OD1 3.22Å; K223-N285 PolarHBondContact NZ-O 3.46Å; K223-N285 PolarHBondContact NZ-OD1 3.26Å; N285-D318 PolarHBondContact N-O 3.17Å; N285-D318 VanDerWaalsContact N-O 3.12Å; N285-S345 WeakPolarHBondContact O-CB 3.43Å; N285-K346 PolarHBondContact ND2-O 3.27Å |
| 286 | L | 90.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -70.7 | 161.5 | 169.1 | -57 | -178 | 0 | 0 | 0 | 111.2 | K223 V283 L295 K315 D318 A320 I347 | K223-L286 WeakPolarHBondContact CE-O 3.41Å; K223-L286 VanDerWaalsContact NZ-C 3.25Å; K223-L286 PolarHBondContact NZ-O 3.22Å; V283-L286 HydrophobicContact CG1-CD2 3.68Å; V283-L286 HydrophobicContact CG1-CG 4.31Å; L286-L295 HydrophobicContact CD1-CD1 3.73Å; L286-L295 HydrophobicContact CD1-CD2 4.03Å; L286-L295 HydrophobicContact CD2-CD2 3.7Å; L286-K315 HydrophobicContact CD1-CG 4.26Å; L286-D318 PolarHBondContact N-O 3.17Å; L286-A320 HydrophobicContact CD1-CB 3.61Å; L286-I347 HydrophobicContact CD2-CG2 3.69Å | ||
| 287 | M | 85.9 | Confident | 91.4 | Very high | 61 Ų | 61 | 59.1 Ų | 59.1 | 30% | 0.3 | 29% | 0.291 | S | S | . | . | trans | -85.9 | 157.2 | 169.2 | -67 | -168.4 | 58.6 | 0 | 0 | 111 | S289 T290 K315 D343 S345 | M287-S289 VanDerWaalsContact CB-OG 3.31Å; M287-S289 WeakPolarHBondContact CB-OG 3.49Å; M287-S289 PolarHBondContact O-N 3.43Å; M287-T290 WeakPolarHBondContact CB-OG1 3.17Å; M287-T290 PolarHBondContact N-OG1 2.83Å; M287-T290 VanDerWaalsContact N-OG1 3.15Å; M287-T290 PolarHBondContact O-N 3.01Å; M287-T290 PolarHBondContact O-OG1 3.09Å; M287-K315 WeakPolarHBondContact O-CE 3.26Å; M287-K315 PolarHBondContact O-NZ 3.09Å; M287-D343 HydrophobicContact CG-CB 4.29Å; M287-D343 HydrophobicContact SD-CB 3.81Å; M287-S345 WeakPolarHBondContact CG-OG 3.48Å; M287-S345 PolarHBondContact SD-OG 3.43Å | ||
| 288 | L | 86.7 | Confident | 91.5 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.7 | 170 | -70.8 | 175.7 | 0 | 0 | 0 | 111.4 | V220 K315 | V220-L288 HydrophobicContact CG1-CD1 4.17Å; V220-L288 HydrophobicContact CG1-CD2 3.69Å; V220-L288 HydrophobicContact CG1-CG 4.02Å; L288-K315 PolarHBondContact O-NZ 2.84Å |
| 289 | S | 87.9 | Confident | 91.6 | Very high | 78 Ų | 78 | 53 Ų | 53 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -26.5 | 176.5 | 49.9 | 0 | 0 | 0 | 0 | 115.3 | M287 T291 | M287-S289 VanDerWaalsContact CB-OG 3.31Å; M287-S289 WeakPolarHBondContact CB-OG 3.49Å; M287-S289 PolarHBondContact O-N 3.43Å; S289-T291 PolarHBondContact O-N 3.02Å |
| 290 | T | 89.3 | Confident | 91.6 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | trans | -61.8 | 125.4 | -177.8 | -44.3 | 0 | 0 | 0 | 0 | 110.3 | M287 L295 K315 I342 D343 | M287-T290 WeakPolarHBondContact CB-OG1 3.17Å; M287-T290 PolarHBondContact N-OG1 2.83Å; M287-T290 VanDerWaalsContact N-OG1 3.15Å; M287-T290 PolarHBondContact O-N 3.01Å; M287-T290 PolarHBondContact O-OG1 3.09Å; T290-L295 HydrophobicContact CG2-CD1 4.35Å; T290-L295 HydrophobicContact CG2-CD2 3.87Å; T290-L295 HydrophobicContact CG2-CG 3.84Å; T290-K315 VanDerWaalsContact O-CD 3.24Å; T290-K315 WeakPolarHBondContact O-CD 3.44Å; T290-K315 WeakPolarHBondContact O-CE 3.28Å; T290-K315 PolarHBondContact O-NZ 3.44Å; T290-I342 HydrophobicContact CG2-CG2 3.95Å; T290-D343 WeakPolarHBondContact CA-OD2 3.35Å; T290-D343 WeakPolarHBondContact CB-OD2 3.39Å; T290-D343 WeakPolarHBondContact CG2-OD2 3.44Å; T290-D343 PolarHBondContact N-OD2 2.88Å; T290-D343 PolarHBondContact OG1-OD2 2.84Å | ||
| 291 | T | 92.6 | Very high | 91.4 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | trans | -90.6 | 169.4 | -178.8 | 81.5 | 0 | 0 | 0 | 0 | 112 | S289 E293 S294 L295 | S289-T291 PolarHBondContact O-N 3.02Å; T291-E293 VanDerWaalsContact C-N 3.28Å; T291-E293 WeakPolarHBondContact CB-OE2 3.31Å; T291-E293 PolarHBondContact OG1-N 3.39Å; T291-E293 PolarHBondContact OG1-OE2 3.07Å; T291-S294 PolarHBondContact OG1-N 2.98Å; T291-L295 WeakPolarHBondContact O-CD1 3.46Å; T291-L295 WeakPolarHBondContact O-CG 3.09Å; T291-L295 PolarHBondContact O-N 2.83Å | ||
| 292 | E | 92.9 | Very high | 91.1 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.4 | -30 | 176.6 | -64.8 | -161 | 146.7 | 0 | 0 | 111.9 | R296 V313 K314 K315 | E292-R296 WeakPolarHBondContact O-CB 3.47Å; E292-R296 PolarHBondContact O-N 3.16Å; E292-V313 HydrophobicContact CB-CG1 4.09Å; E292-V313 HydrophobicContact CG-CG1 4.3Å; E292-K314 WeakPolarHBondContact OE1-CA 3.21Å; E292-K315 HydrophobicContact CG-CB 3.81Å; E292-K315 PolarHBondContact OE1-N 3.38Å |
| 293 | E | 91.9 | Very high | 90.8 | Very high | 120 Ų | 120 | 53.3 Ų | 53.3 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -69.9 | -48.6 | 178.4 | -53.3 | 72.7 | -158 | 0 | 0 | 110.9 | T291 L295 R296 D297 | T291-E293 VanDerWaalsContact C-N 3.28Å; T291-E293 WeakPolarHBondContact CB-OE2 3.31Å; T291-E293 PolarHBondContact OG1-N 3.39Å; T291-E293 PolarHBondContact OG1-OE2 3.07Å; E293-L295 PolarHBondContact O-N 2.78Å; E293-R296 WeakPolarHBondContact O-CA 3.46Å; E293-R296 WeakPolarHBondContact O-CB 3.19Å; E293-R296 PolarHBondContact O-N 3.47Å; E293-D297 PolarHBondContact O-N 2.83Å |
| 294 | S | 91.5 | Very high | 90.3 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.6 | -39.2 | 176.2 | 175 | 0 | 0 | 0 | 0 | 112.4 | T291 S298 | T291-S294 PolarHBondContact OG1-N 2.98Å; S294-S298 WeakPolarHBondContact O-CB 3.38Å; S294-S298 PolarHBondContact O-N 3.22Å; S294-S298 VanDerWaalsContact O-N 3.13Å; S294-S298 PolarHBondContact O-OG 2.83Å |
| 295 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 171.8 | -66.1 | 165.7 | 0 | 0 | 0 | 111.4 | L286 T290 T291 E293 D297 S298 F299 V313 K315 A320 I342 | L286-L295 HydrophobicContact CD1-CD1 3.73Å; L286-L295 HydrophobicContact CD1-CD2 4.03Å; L286-L295 HydrophobicContact CD2-CD2 3.7Å; T290-L295 HydrophobicContact CG2-CD1 4.35Å; T290-L295 HydrophobicContact CG2-CD2 3.87Å; T290-L295 HydrophobicContact CG2-CG 3.84Å; T291-L295 WeakPolarHBondContact O-CD1 3.46Å; T291-L295 WeakPolarHBondContact O-CG 3.09Å; T291-L295 PolarHBondContact O-N 2.83Å; E293-L295 PolarHBondContact O-N 2.78Å; L295-D297 VanDerWaalsContact C-N 3.35Å; L295-D297 PolarHBondContact O-N 2.91Å; L295-S298 PolarHBondContact O-N 3.41Å; L295-F299 VanDerWaalsContact O-CD2 3.3Å; L295-F299 WeakPolarHBondContact O-CD2 3.5Å; L295-F299 PolarHBondContact O-N 3.42Å; L295-V313 HydrophobicContact CB-CG1 4.29Å; L295-V313 HydrophobicContact CD1-CG1 4.31Å; L295-K315 HydrophobicContact CD1-CB 4.39Å; L295-K315 HydrophobicContact CD1-CD 4.28Å; L295-K315 HydrophobicContact CD1-CG 4.36Å; L295-A320 HydrophobicContact CD1-CB 3.98Å; L295-I342 HydrophobicContact CD2-CD1 4.28Å |
| 296 | R | 93.2 | Very high | 89.8 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 39% | 0.389 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 179.7 | -160.2 | -166.9 | -173.1 | 144.6 | 11 | 111.2 | E292 E293 S298 F299 I300 V310 V313 | E292-R296 WeakPolarHBondContact O-CB 3.47Å; E292-R296 PolarHBondContact O-N 3.16Å; E293-R296 WeakPolarHBondContact O-CA 3.46Å; E293-R296 WeakPolarHBondContact O-CB 3.19Å; E293-R296 PolarHBondContact O-N 3.47Å; R296-S298 PolarHBondContact O-N 2.83Å; R296-F299 PolarHBondContact O-N 3.08Å; R296-I300 HydrophobicContact CG-CD1 3.74Å; R296-I300 HydrophobicContact CG-CG1 4.42Å; R296-I300 WeakPolarHBondContact O-CB 3.46Å; R296-I300 VanDerWaalsContact O-CG1 3.26Å; R296-I300 WeakPolarHBondContact O-CG1 3.42Å; R296-I300 PolarHBondContact O-N 3.14Å; R296-V310 HydrophobicContact CG-CB 4.34Å; R296-V310 HydrophobicContact CG-CG1 4.08Å; R296-V310 PolarHBondContact NH2-O 2.59Å; R296-V313 HydrophobicContact CB-CG2 3.94Å; R296-V313 HydrophobicContact CG-CG2 4.1Å |
| 297 | D | 92.1 | Very high | 89.4 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | -178.8 | -64.8 | -16.1 | 0 | 0 | 0 | 111.5 | E293 L295 F299 K301 | E293-D297 PolarHBondContact O-N 2.83Å; L295-D297 VanDerWaalsContact C-N 3.35Å; L295-D297 PolarHBondContact O-N 2.91Å; D297-F299 PolarHBondContact O-N 2.91Å; D297-K301 VanDerWaalsContact O-CB 3.28Å; D297-K301 WeakPolarHBondContact O-CB 3.38Å; D297-K301 PolarHBondContact O-N 3.1Å |
| 298 | S | 91.8 | Very high | 89.5 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.7 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | S294 L295 R296 A302 | S294-S298 WeakPolarHBondContact O-CB 3.38Å; S294-S298 PolarHBondContact O-N 3.22Å; S294-S298 VanDerWaalsContact O-N 3.13Å; S294-S298 PolarHBondContact O-OG 2.83Å; L295-S298 PolarHBondContact O-N 3.41Å; R296-S298 PolarHBondContact O-N 2.83Å; S298-A302 PolarHBondContact O-N 2.8Å |
| 299 | F | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -79.4 | -33 | -179.8 | -80.2 | -101.7 | 0 | 0 | 0 | 112.9 | L281 V283 L295 R296 D297 K301 A302 A303 V310 I322 F324 C333 L337 I342 I347 V349 | L281-F299 HydrophobicContact CD1-CD1 4.29Å; L281-F299 HydrophobicContact CD1-CE1 3.97Å; V283-F299 HydrophobicContact CG1-CZ 4.29Å; V283-F299 HydrophobicContact CG2-CE1 4.07Å; V283-F299 HydrophobicContact CG2-CE2 4.12Å; V283-F299 HydrophobicContact CG2-CZ 3.48Å; V283-F299 VanDerWaalsContact CG2-CZ 3.48Å; L295-F299 VanDerWaalsContact O-CD2 3.3Å; L295-F299 WeakPolarHBondContact O-CD2 3.5Å; L295-F299 PolarHBondContact O-N 3.42Å; R296-F299 PolarHBondContact O-N 3.08Å; D297-F299 PolarHBondContact O-N 2.91Å; F299-K301 VanDerWaalsContact C-N 3.33Å; F299-A302 PolarHBondContact O-N 2.75Å; F299-A303 WeakPolarHBondContact O-CB 3.43Å; F299-A303 PolarHBondContact O-N 2.72Å; F299-V310 HydrophobicContact CB-CG2 4.21Å; F299-I322 HydrophobicContact CB-CD1 4.26Å; F299-I322 HydrophobicContact CB-CG2 4.48Å; F299-I322 HydrophobicContact CD1-CD1 3.72Å; F299-I322 HydrophobicContact CD2-CD1 3.37Å; F299-I322 HydrophobicContact CE1-CD1 3.85Å; F299-I322 HydrophobicContact CE2-CD1 3.5Å; F299-I322 HydrophobicContact CG-CD1 3.49Å; F299-I322 VanDerWaalsContact CG-CD1 3.49Å; F299-I322 HydrophobicContact CZ-CD1 3.75Å; F299-F324 HydrophobicContact CB-CZ 4.28Å; F299-F324 HydrophobicContact CD1-CE2 4.44Å; F299-F324 HydrophobicContact CD1-CZ 4.01Å; F299-C333 HydrophobicContact CD1-CB 3.98Å; F299-C333 HydrophobicContact CE1-CB 4.38Å; F299-C333 PolarHBondContact O-SG 2.62Å; F299-L337 HydrophobicContact CB-CD1 4.27Å; F299-L337 HydrophobicContact CD1-CD1 3.45Å; F299-L337 VanDerWaalsContact CD1-CD1 3.45Å; F299-L337 HydrophobicContact CD2-CD1 3.64Å; F299-L337 HydrophobicContact CE1-CB 4.25Å; F299-L337 HydrophobicContact CE1-CD1 3.52Å; F299-L337 HydrophobicContact CE2-CD1 3.71Å; F299-L337 HydrophobicContact CG-CD1 3.52Å; F299-L337 HydrophobicContact CZ-CB 4.15Å; F299-L337 HydrophobicContact CZ-CD1 3.65Å; F299-I342 HydrophobicContact CE2-CD1 4.48Å; F299-I347 HydrophobicContact CE2-CD1 4.4Å; F299-I347 HydrophobicContact CZ-CD1 4.29Å; F299-V349 HydrophobicContact CE1-CG1 4.26Å; F299-V349 HydrophobicContact CE1-CG2 4.4Å; F299-V349 HydrophobicContact CZ-CG2 3.98Å |
| 300 | I | 92.3 | Very high | 89.7 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 168 | -74.5 | 164.3 | 0 | 0 | 0 | 110.1 | R296 A302 A303 G305 P307 V310 | R296-I300 HydrophobicContact CG-CD1 3.74Å; R296-I300 HydrophobicContact CG-CG1 4.42Å; R296-I300 WeakPolarHBondContact O-CB 3.46Å; R296-I300 VanDerWaalsContact O-CG1 3.26Å; R296-I300 WeakPolarHBondContact O-CG1 3.42Å; R296-I300 PolarHBondContact O-N 3.14Å; I300-A302 VanDerWaalsContact C-N 3.31Å; I300-A302 PolarHBondContact O-N 3.41Å; I300-A303 PolarHBondContact O-N 2.8Å; I300-A303 VanDerWaalsContact O-N 3.15Å; I300-G305 WeakPolarHBondContact O-CA 3.47Å; I300-G305 PolarHBondContact O-N 2.85Å; I300-P307 HydrophobicContact CD1-CB 4.43Å; I300-V310 HydrophobicContact CG1-CB 4.26Å; I300-V310 HydrophobicContact CG1-CG2 3.97Å |
| 301 | K | 90.7 | Very high | 89.9 | Confident | 177 Ų | 177 | 58.3 Ų | 58.3 | 77% | 0.77 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.6 | -37.4 | 179.1 | -173 | 177.6 | -179.9 | -178.8 | 0 | 112.6 | D297 F299 | D297-K301 VanDerWaalsContact O-CB 3.28Å; D297-K301 WeakPolarHBondContact O-CB 3.38Å; D297-K301 PolarHBondContact O-N 3.1Å; F299-K301 VanDerWaalsContact C-N 3.33Å |
| 302 | A | 90.1 | Very high | 89.9 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.7 | -29 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S298 F299 I300 G304 Q332 T336 L337 | S298-A302 PolarHBondContact O-N 2.8Å; F299-A302 PolarHBondContact O-N 2.75Å; I300-A302 VanDerWaalsContact C-N 3.31Å; I300-A302 PolarHBondContact O-N 3.41Å; A302-G304 PolarHBondContact O-N 2.87Å; A302-Q332 PolarHBondContact O-NE2 2.92Å; A302-Q332 VanDerWaalsContact O-NE2 3.09Å; A302-T336 HydrophobicContact CB-CG2 4.06Å; A302-L337 HydrophobicContact CB-CD1 3.48Å; A302-L337 VanDerWaalsContact CB-CD1 3.48Å; A302-L337 HydrophobicContact CB-CD2 4.12Å; A302-L337 HydrophobicContact CB-CG 3.64Å |
| 303 | A | 87.9 | Confident | 89.9 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F299 I300 F324 | F299-A303 WeakPolarHBondContact O-CB 3.43Å; F299-A303 PolarHBondContact O-N 2.72Å; I300-A303 PolarHBondContact O-N 2.8Å; I300-A303 VanDerWaalsContact O-N 3.15Å; A303-F324 HydrophobicContact CB-CE1 4.24Å |
| 304 | G | 84.2 | Confident | 90 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 68% | 0.68 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | 1.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A302 | A302-G304 PolarHBondContact O-N 2.87Š|
| 305 | G | 83.5 | Confident | 90.1 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 97.4 | 1.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | I300 P307 | I300-G305 WeakPolarHBondContact O-CA 3.47Å; I300-G305 PolarHBondContact O-N 2.85Å; G305-P307 WeakPolarHBondContact O-CD 3.48Å |
| 306 | D | 84.9 | Confident | 90 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | trans | -74 | 118.5 | 173.4 | 176.3 | 15.2 | 0 | 0 | 0 | 110.8 | N308 S309 | D306-N308 PolarHBondContact O-N 3.03Å; D306-N308 VanDerWaalsContact O-N 3.13Å; D306-N308 VanDerWaalsContact OD1-CB 3.27Å; D306-N308 WeakPolarHBondContact OD1-CB 3.41Å; D306-N308 PolarHBondContact OD1-N 3.3Å; D306-N308 PolarHBondContact OD1-ND2 3.11Å; D306-N308 WeakPolarHBondContact OD2-CB 3.35Å; D306-S309 WeakPolarHBondContact O-CB 3.24Å; D306-S309 PolarHBondContact O-N 2.78Å; D306-S309 VanDerWaalsContact O-N 3.13Å; D306-S309 PolarHBondContact O-OG 2.9Å | ||
| 307 | P | 83.6 | Confident | 89.7 | Confident | 83 Ų | 83 | 59 Ų | 59 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.9 | 177.3 | 27.7 | -36.3 | 0 | 0 | 0 | 113.7 | I300 G305 | I300-P307 HydrophobicContact CD1-CB 4.43Å; G305-P307 WeakPolarHBondContact O-CD 3.48Å |
| 308 | N | 86.6 | Confident | 89.6 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.1 | 175.6 | -68.6 | -81.2 | 0 | 0 | 0 | 114 | D306 V310 R325 | D306-N308 PolarHBondContact O-N 3.03Å; D306-N308 VanDerWaalsContact O-N 3.13Å; D306-N308 VanDerWaalsContact OD1-CB 3.27Å; D306-N308 WeakPolarHBondContact OD1-CB 3.41Å; D306-N308 PolarHBondContact OD1-N 3.3Å; D306-N308 PolarHBondContact OD1-ND2 3.11Å; D306-N308 WeakPolarHBondContact OD2-CB 3.35Å; N308-V310 VanDerWaalsContact C-N 3.29Å; N308-V310 PolarHBondContact O-N 3.3Å; N308-R325 WeakPolarHBondContact O-CD 3.37Å; N308-R325 PolarHBondContact O-NE 2.68Å; N308-R325 PolarHBondContact OD1-NH1 2.95Å; N308-R325 PolarHBondContact OD1-NH2 2.79Å |
| 309 | S | 88.6 | Confident | 89.6 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -53.8 | -45.5 | -176.1 | -69.6 | 0 | 0 | 0 | 0 | 113 | D306 F324 R325 Q329 | D306-S309 WeakPolarHBondContact O-CB 3.24Å; D306-S309 PolarHBondContact O-N 2.78Å; D306-S309 VanDerWaalsContact O-N 3.13Å; D306-S309 PolarHBondContact O-OG 2.9Å; S309-F324 WeakPolarHBondContact O-CA 3.42Å; S309-R325 PolarHBondContact O-N 3.43Å; S309-Q329 PolarHBondContact OG-OE1 3.47Å |
| 310 | V | 92 | Very high | 89.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 104.3 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | R296 F299 I300 N308 V313 I322 F324 | R296-V310 HydrophobicContact CG-CB 4.34Å; R296-V310 HydrophobicContact CG-CG1 4.08Å; R296-V310 PolarHBondContact NH2-O 2.59Å; F299-V310 HydrophobicContact CB-CG2 4.21Å; I300-V310 HydrophobicContact CG1-CB 4.26Å; I300-V310 HydrophobicContact CG1-CG2 3.97Å; N308-V310 VanDerWaalsContact C-N 3.29Å; N308-V310 PolarHBondContact O-N 3.3Å; V310-V313 HydrophobicContact CG1-CG2 3.85Å; V310-I322 HydrophobicContact CG1-CG2 3.78Å; V310-I322 HydrophobicContact CG2-CG2 4.21Å; V310-F324 HydrophobicContact CG2-CD1 4.37Å; V310-F324 HydrophobicContact CG2-CE1 3.8Å; V310-F324 HydrophobicContact CG2-CZ 4.06Å |
| 311 | E | 92 | Very high | 89.9 | Confident | 129 Ų | 129 | 58.9 Ų | 58.9 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -49.8 | 174.6 | -174.6 | -168.8 | 158.5 | 0 | 0 | 110.7 | H323 R325 | E311-H323 HydrophobicContact CB-CB 4.43Å; E311-H323 PolarHBondContact N-O 3.32Å; E311-R325 HydrophobicContact CB-CG 4.49Å |
| 312 | R | 92.1 | Very high | 90.1 | Very high | 143 Ų | 143 | 50.5 Ų | 50.5 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 129.8 | -174.9 | -178.2 | 173 | -175.3 | 101.6 | 21.5 | 113.5 | H323 | R312-H323 HydrophobicContact CB-CB 4.16Å; R312-H323 PolarHBondContact N-O 3.48Å; R312-H323 PolarHBondContact O-N 3.06Å; R312-H323 PolarHBondContact O-ND1 3.47Å |
| 313 | V | 94.6 | Very high | 90.3 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 148.3 | 160.1 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | E292 L295 R296 V310 F321 I322 | E292-V313 HydrophobicContact CB-CG1 4.09Å; E292-V313 HydrophobicContact CG-CG1 4.3Å; L295-V313 HydrophobicContact CB-CG1 4.29Å; L295-V313 HydrophobicContact CD1-CG1 4.31Å; R296-V313 HydrophobicContact CB-CG2 3.94Å; R296-V313 HydrophobicContact CG-CG2 4.1Å; V310-V313 HydrophobicContact CG1-CG2 3.85Å; V313-F321 CarbonylContact C-O 3.57Å; V313-F321 WeakPolarHBondContact CA-O 3.47Å; V313-I322 HydrophobicContact CG2-CG1 4.45Å; V313-I322 HydrophobicContact CG2-CG2 4.5Å |
| 314 | K | 94 | Very high | 90.6 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 101.7 | 167.1 | -175.4 | -175 | -178.7 | -175.8 | 0 | 109.5 | E292 A320 F321 | E292-K314 WeakPolarHBondContact OE1-CA 3.21Å; K314-A320 CarbonylContact O-C 3.52Å; K314-A320 VanDerWaalsContact O-CA 3.27Å; K314-A320 WeakPolarHBondContact O-CA 3.42Å; K314-F321 PolarHBondContact N-O 3.3Å; K314-F321 PolarHBondContact O-N 2.87Å |
| 315 | K | 93 | Very high | 91 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 17% | 0.17 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 142 | 175.2 | -168.7 | -172.1 | -178.1 | -145.4 | 0 | 110.5 | L286 M287 L288 T290 E292 L295 S317 Y319 A320 | L286-K315 HydrophobicContact CD1-CG 4.26Å; M287-K315 WeakPolarHBondContact O-CE 3.26Å; M287-K315 PolarHBondContact O-NZ 3.09Å; L288-K315 PolarHBondContact O-NZ 2.84Å; T290-K315 VanDerWaalsContact O-CD 3.24Å; T290-K315 WeakPolarHBondContact O-CD 3.44Å; T290-K315 WeakPolarHBondContact O-CE 3.28Å; T290-K315 PolarHBondContact O-NZ 3.44Å; E292-K315 HydrophobicContact CG-CB 3.81Å; E292-K315 PolarHBondContact OE1-N 3.38Å; L295-K315 HydrophobicContact CD1-CB 4.39Å; L295-K315 HydrophobicContact CD1-CD 4.28Å; L295-K315 HydrophobicContact CD1-CG 4.36Å; K315-S317 WeakPolarHBondContact CE-O 3.41Å; K315-S317 PolarHBondContact NZ-O 3.37Å; K315-Y319 WeakPolarHBondContact CG-O 3.36Å; K315-A320 HydrophobicContact CB-CB 4.19Å; K315-A320 HydrophobicContact CG-CB 4.35Å |
| 316 | I | 90.4 | Very high | 91.4 | Very high | 66 Ų | 66 | 57.4 Ų | 57.4 | 34% | 0.338 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 109.6 | 171.3 | -51.4 | 178.7 | 0 | 0 | 0 | 107.1 | D318 Y319 | I316-D318 PolarHBondContact O-N 3.45Å; I316-Y319 CarbonylContact C-O 3.55Å; I316-Y319 HydrophobicContact CB-CD2 4.3Å; I316-Y319 HydrophobicContact CB-CE1 4.39Å; I316-Y319 HydrophobicContact CB-CE2 3.71Å; I316-Y319 HydrophobicContact CD1-CE2 4.08Å; I316-Y319 HydrophobicContact CG1-CE2 4.27Å; I316-Y319 HydrophobicContact CG2-CE1 4.4Å; I316-Y319 HydrophobicContact CG2-CE2 4.31Å; I316-Y319 PolarHBondContact N-O 2.97Å; I316-Y319 VanDerWaalsContact O-CD1 3.29Å; I316-Y319 WeakPolarHBondContact O-CD1 3.43Å; I316-Y319 WeakPolarHBondContact O-CE1 3.28Å; I316-Y319 PolarHBondContact O-N 3.08Å; I316-Y319 VanDerWaalsContact O-N 3.14Å; I316-Y319 VanDerWaalsContact O-O 3.1Å |
| 317 | S | 87.1 | Confident | 91.8 | Very high | 53 Ų | 53 | 57 Ų | 57 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -101.8 | 180 | -179.1 | 0 | 0 | 0 | 0 | 113.4 | V220 K315 | V220-S317 WeakPolarHBondContact CG1-OG 3.34Å; K315-S317 WeakPolarHBondContact CE-O 3.41Å; K315-S317 PolarHBondContact NZ-O 3.37Å |
| 318 | D | 88.7 | Confident | 92.2 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 8 | -171.7 | 47.9 | -54.3 | 0 | 0 | 0 | 113.3 | V220 R227 N285 L286 I316 | V220-D318 HydrophobicContact CG1-CB 4.2Å; V220-D318 HydrophobicContact CG2-CB 4.43Å; R227-D318 IonicContact NH1-OD2 3.02Å; R227-D318 PolarHBondContact NH1-OD2 3.13Å; N285-D318 PolarHBondContact N-O 3.17Å; N285-D318 VanDerWaalsContact N-O 3.12Å; L286-D318 PolarHBondContact N-O 3.17Å; I316-D318 PolarHBondContact O-N 3.45Å |
| 319 | Y | 92.8 | Very high | 92.4 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 165.6 | 176.6 | 61.3 | -89.9 | 0 | 0 | 0 | 112.4 | Y282 V283 K315 I316 F321 | Y282-Y319 HydrophobicContact CD2-CD2 4.46Å; Y282-Y319 AromaticContact CE2-CD2 3.6Å; Y282-Y319 HydrophobicContact CE2-CD2 3.6Å; Y282-Y319 HydrophobicContact CE2-CE2 4.4Å; Y282-Y319 AromaticContact CE2-CG 3.89Å; Y282-Y319 HydrophobicContact CE2-CG 3.89Å; V283-Y319 CarbonylContact O-C 3.58Å; V283-Y319 WeakPolarHBondContact O-CA 3.26Å; V283-Y319 VanDerWaalsContact O-CB 3.26Å; V283-Y319 WeakPolarHBondContact O-CB 3.36Å; K315-Y319 WeakPolarHBondContact CG-O 3.36Å; I316-Y319 CarbonylContact C-O 3.55Å; I316-Y319 HydrophobicContact CB-CD2 4.3Å; I316-Y319 HydrophobicContact CB-CE1 4.39Å; I316-Y319 HydrophobicContact CB-CE2 3.71Å; I316-Y319 HydrophobicContact CD1-CE2 4.08Å; I316-Y319 HydrophobicContact CG1-CE2 4.27Å; I316-Y319 HydrophobicContact CG2-CE1 4.4Å; I316-Y319 HydrophobicContact CG2-CE2 4.31Å; I316-Y319 PolarHBondContact N-O 2.97Å; I316-Y319 VanDerWaalsContact O-CD1 3.29Å; I316-Y319 WeakPolarHBondContact O-CD1 3.43Å; I316-Y319 WeakPolarHBondContact O-CE1 3.28Å; I316-Y319 PolarHBondContact O-N 3.08Å; I316-Y319 VanDerWaalsContact O-N 3.14Å; I316-Y319 VanDerWaalsContact O-O 3.1Å; Y319-F321 HydrophobicContact CD2-CE2 4.12Å; Y319-F321 AromaticContact CE2-CE2 3.91Å; Y319-F321 HydrophobicContact CE2-CE2 3.91Å |
| 320 | A | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 156.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V283 L286 L295 K314 K315 | V283-A320 PolarHBondContact N-O 2.97Å; V283-A320 PolarHBondContact O-N 3.23Å; L286-A320 HydrophobicContact CD1-CB 3.61Å; L295-A320 HydrophobicContact CD1-CB 3.98Å; K314-A320 CarbonylContact O-C 3.52Å; K314-A320 VanDerWaalsContact O-CA 3.27Å; K314-A320 WeakPolarHBondContact O-CA 3.42Å; K315-A320 HydrophobicContact CB-CB 4.19Å; K315-A320 HydrophobicContact CG-CB 4.35Å |
| 321 | F | 95.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 59.9 Ų | 59.9 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.4 | 168.2 | -63.3 | -84.8 | 0 | 0 | 0 | 109.8 | I280 L281 Y282 V313 K314 Y319 A352 | I280-F321 HydrophobicContact CG2-CB 4.26Å; I280-F321 HydrophobicContact CG2-CD1 4.35Å; L281-F321 WeakPolarHBondContact O-CA 3.2Å; Y282-F321 HydrophobicContact CD2-CD1 4.05Å; Y282-F321 AromaticContact CD2-CE1 3.54Å; Y282-F321 HydrophobicContact CD2-CE1 3.54Å; Y282-F321 HydrophobicContact CD2-CE2 4.44Å; Y282-F321 AromaticContact CD2-CZ 3.76Å; Y282-F321 HydrophobicContact CD2-CZ 3.76Å; Y282-F321 HydrophobicContact CE2-CE1 4.31Å; Y282-F321 HydrophobicContact CE2-CZ 4.07Å; Y282-F321 HydrophobicContact CG-CE1 4.34Å; V313-F321 CarbonylContact C-O 3.57Å; V313-F321 WeakPolarHBondContact CA-O 3.47Å; K314-F321 PolarHBondContact N-O 3.3Å; K314-F321 PolarHBondContact O-N 2.87Å; Y319-F321 HydrophobicContact CD2-CE2 4.12Å; Y319-F321 AromaticContact CE2-CE2 3.91Å; Y319-F321 HydrophobicContact CE2-CE2 3.91Å; F321-A352 HydrophobicContact CD1-CB 3.93Å; F321-A352 HydrophobicContact CE1-CB 4.09Å |
| 322 | I | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.5 | -177.8 | -54.7 | -176.1 | 0 | 0 | 0 | 108.4 | I280 L281 V283 F299 V310 V313 F324 | I280-I322 CarbonylContact C-O 3.6Å; I280-I322 WeakPolarHBondContact CA-O 3.14Å; L281-I322 PolarHBondContact N-O 3.12Å; L281-I322 PolarHBondContact O-N 3.02Å; V283-I322 HydrophobicContact CG2-CD1 3.78Å; V283-I322 HydrophobicContact CG2-CG1 4.22Å; F299-I322 HydrophobicContact CB-CD1 4.26Å; F299-I322 HydrophobicContact CB-CG2 4.48Å; F299-I322 HydrophobicContact CD1-CD1 3.72Å; F299-I322 HydrophobicContact CD2-CD1 3.37Å; F299-I322 HydrophobicContact CE1-CD1 3.85Å; F299-I322 HydrophobicContact CE2-CD1 3.5Å; F299-I322 HydrophobicContact CG-CD1 3.49Å; F299-I322 VanDerWaalsContact CG-CD1 3.49Å; F299-I322 HydrophobicContact CZ-CD1 3.75Å; V310-I322 HydrophobicContact CG1-CG2 3.78Å; V310-I322 HydrophobicContact CG2-CG2 4.21Å; V313-I322 HydrophobicContact CG2-CG1 4.45Å; V313-I322 HydrophobicContact CG2-CG2 4.5Å; I322-F324 HydrophobicContact CB-CE2 4.18Å; I322-F324 HydrophobicContact CG2-CD2 4.21Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CZ 3.92Å |
| 323 | H | 94.2 | Very high | 92.8 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 22% | 0.218 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.5 | -173.6 | -52.8 | 64.9 | 0 | 0 | 0 | 108.7 | I280 E311 R312 | I280-H323 HydrophobicContact CG1-CB 4.49Å; E311-H323 HydrophobicContact CB-CB 4.43Å; E311-H323 PolarHBondContact N-O 3.32Å; R312-H323 HydrophobicContact CB-CB 4.16Å; R312-H323 PolarHBondContact N-O 3.48Å; R312-H323 PolarHBondContact O-N 3.06Å; R312-H323 PolarHBondContact O-ND1 3.47Å |
| 324 | F | 94.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 148.8 | 177.4 | -71 | -95.9 | 0 | 0 | 0 | 111.6 | K279 L281 F299 A303 S309 V310 I322 E326 Q329 A330 C333 | K279-F324 WeakPolarHBondContact CB-O 3.38Å; K279-F324 PolarHBondContact O-N 3.33Å; L281-F324 HydrophobicContact CD1-CD2 4.4Å; L281-F324 HydrophobicContact CD1-CE2 3.6Å; L281-F324 HydrophobicContact CD1-CZ 4.23Å; L281-F324 HydrophobicContact CG-CD2 4.29Å; L281-F324 HydrophobicContact CG-CE2 3.89Å; F299-F324 HydrophobicContact CB-CZ 4.28Å; F299-F324 HydrophobicContact CD1-CE2 4.44Å; F299-F324 HydrophobicContact CD1-CZ 4.01Å; A303-F324 HydrophobicContact CB-CE1 4.24Å; S309-F324 WeakPolarHBondContact O-CA 3.42Å; V310-F324 HydrophobicContact CG2-CD1 4.37Å; V310-F324 HydrophobicContact CG2-CE1 3.8Å; V310-F324 HydrophobicContact CG2-CZ 4.06Å; I322-F324 HydrophobicContact CB-CE2 4.18Å; I322-F324 HydrophobicContact CG2-CD2 4.21Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CZ 3.92Å; F324-E326 VanDerWaalsContact C-N 3.28Å; F324-E326 VanDerWaalsContact CB-O 3.3Å; F324-E326 WeakPolarHBondContact CB-O 3.29Å; F324-E326 PolarHBondContact O-N 3.31Å; F324-Q329 HydrophobicContact CD1-CB 3.97Å; F324-A330 HydrophobicContact CB-CB 3.99Å; F324-A330 HydrophobicContact CD2-CB 3.61Å; F324-A330 HydrophobicContact CE2-CB 4.23Å; F324-A330 HydrophobicContact CG-CB 3.78Å; F324-C333 HydrophobicContact CE1-CB 4.43Å; F324-C333 HydrophobicContact CZ-CB 3.88Å; F324-C333 VanDerWaalsContact CZ-SG 3.57Å |
| 325 | R | 92.4 | Very high | 92.7 | Very high | 128 Ų | 128 | 54 Ų | 54 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -67.4 | -30.9 | 172.3 | -62.7 | -168.9 | -172.6 | 174.6 | 11.9 | 112.6 | K279 N308 S309 E311 | K279-R325 WeakPolarHBondContact CD-O 3.43Å; K279-R325 WeakPolarHBondContact CE-O 3.46Å; K279-R325 PolarHBondContact NZ-O 2.96Å; N308-R325 WeakPolarHBondContact O-CD 3.37Å; N308-R325 PolarHBondContact O-NE 2.68Å; N308-R325 PolarHBondContact OD1-NH1 2.95Å; N308-R325 PolarHBondContact OD1-NH2 2.79Å; S309-R325 PolarHBondContact O-N 3.43Å; E311-R325 HydrophobicContact CB-CG 4.49Å |
| 326 | E | 92.4 | Very high | 92.6 | Very high | 96 Ų | 96 | 55.8 Ų | 55.8 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | trans | -127.2 | 151.2 | -175.3 | -71.6 | 178.5 | 177.2 | 0 | 0 | 111 | F324 Q329 | F324-E326 VanDerWaalsContact C-N 3.28Å; F324-E326 VanDerWaalsContact CB-O 3.3Å; F324-E326 WeakPolarHBondContact CB-O 3.29Å; F324-E326 PolarHBondContact O-N 3.31Å; E326-Q329 HydrophobicContact CB-CB 4.45Å; E326-Q329 HydrophobicContact CB-CG 3.93Å; E326-Q329 PolarHBondContact OE2-NE2 2.88Å | ||
| 327 | R | 92.1 | Very high | 92.7 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.8 | -30.2 | -179.2 | 178.5 | 176.4 | 172.9 | 88.8 | -8.1 | 111 | M275 S276 V278 K279 A330 L331 W351 | M275-R327 PolarHBondContact O-NH1 2.93Å; M275-R327 PolarHBondContact O-NH2 2.91Å; S276-R327 WeakPolarHBondContact O-CD 3.38Å; S276-R327 PolarHBondContact O-NE 2.92Å; S276-R327 VanDerWaalsContact O-NE 3.11Å; S276-R327 PolarHBondContact O-NH1 2.98Å; V278-R327 PolarHBondContact O-NH1 3.37Å; K279-R327 HydrophobicContact CG-CB 4.25Å; R327-A330 CarbonylContact O-C 3.6Å; R327-A330 WeakPolarHBondContact O-CB 3.35Å; R327-A330 PolarHBondContact O-N 3.26Å; R327-L331 WeakPolarHBondContact O-CB 3.23Å; R327-L331 PolarHBondContact O-N 3.4Å; R327-W351 HydrophobicContact CG-CH2 3.89Å |
| 328 | E | 92 | Very high | 92.9 | Very high | 120 Ų | 120 | 53.7 Ų | 53.7 | 56% | 0.561 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.5 | -48.2 | -176 | -62.8 | 58.1 | -129.9 | 0 | 0 | 109.2 | A330 L331 Q332 | E328-A330 PolarHBondContact O-N 3.25Å; E328-L331 PolarHBondContact O-N 3.37Å; E328-Q332 WeakPolarHBondContact O-CB 3.36Å; E328-Q332 PolarHBondContact O-N 2.83Å |
| 329 | Q | 92.5 | Very high | 93 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 173.8 | -56.4 | 178.9 | 12.5 | 0 | 0 | 111.9 | S309 F324 E326 C333 | S309-Q329 PolarHBondContact OG-OE1 3.47Å; F324-Q329 HydrophobicContact CD1-CB 3.97Å; E326-Q329 HydrophobicContact CB-CB 4.45Å; E326-Q329 HydrophobicContact CB-CG 3.93Å; E326-Q329 PolarHBondContact OE2-NE2 2.88Å; Q329-C333 WeakPolarHBondContact O-CB 3.48Å; Q329-C333 PolarHBondContact O-N 3.25Å; Q329-C333 PolarHBondContact O-SG 3.34Å |
| 330 | A | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.7 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L281 F324 R327 E328 C333 L334 W351 | L281-A330 WeakPolarHBondContact CD1-O 3.17Å; L281-A330 HydrophobicContact CD2-CB 4.2Å; L281-A330 HydrophobicContact CG-CB 4.22Å; F324-A330 HydrophobicContact CB-CB 3.99Å; F324-A330 HydrophobicContact CD2-CB 3.61Å; F324-A330 HydrophobicContact CE2-CB 4.23Å; F324-A330 HydrophobicContact CG-CB 3.78Å; R327-A330 CarbonylContact O-C 3.6Å; R327-A330 WeakPolarHBondContact O-CB 3.35Å; R327-A330 PolarHBondContact O-N 3.26Å; E328-A330 PolarHBondContact O-N 3.25Å; A330-C333 PolarHBondContact O-N 2.84Å; A330-L334 WeakPolarHBondContact O-CB 3.48Å; A330-L334 PolarHBondContact O-N 2.75Å; A330-W351 HydrophobicContact CB-CH2 3.76Å; A330-W351 HydrophobicContact CB-CZ3 3.7Å |
| 331 | L | 93.3 | Very high | 92.7 | Very high | 69 Ų | 69 | 62.2 Ų | 62.2 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.7 | 179.4 | 65.4 | 0 | 0 | 0 | 111.3 | R327 E328 L334 H335 W351 | R327-L331 WeakPolarHBondContact O-CB 3.23Å; R327-L331 PolarHBondContact O-N 3.4Å; E328-L331 PolarHBondContact O-N 3.37Å; L331-L334 PolarHBondContact O-N 3.45Å; L331-H335 PolarHBondContact O-N 3.17Å; L331-W351 HydrophobicContact CB-CH2 4.29Å; L331-W351 HydrophobicContact CB-CZ2 4.11Å; L331-W351 HydrophobicContact CD1-CZ2 4.04Å |
| 332 | Q | 92.7 | Very high | 92.4 | Very high | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 173.5 | 178.6 | 175.5 | -18.2 | 0 | 0 | 111.4 | A302 E328 H335 T336 | A302-Q332 PolarHBondContact O-NE2 2.92Å; A302-Q332 VanDerWaalsContact O-NE2 3.09Å; E328-Q332 WeakPolarHBondContact O-CB 3.36Å; E328-Q332 PolarHBondContact O-N 2.83Å; Q332-H335 PolarHBondContact O-N 2.79Å; Q332-T336 WeakPolarHBondContact O-CB 3.36Å; Q332-T336 PolarHBondContact O-N 2.9Å; Q332-T336 PolarHBondContact O-OG1 2.93Å |
| 333 | C | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 175 | -70.4 | 0 | 0 | 0 | 0 | 112.6 | L281 F299 F324 Q329 A330 T336 L337 | L281-C333 HydrophobicContact CD1-CB 3.83Å; F299-C333 HydrophobicContact CD1-CB 3.98Å; F299-C333 HydrophobicContact CE1-CB 4.38Å; F299-C333 PolarHBondContact O-SG 2.62Å; F324-C333 HydrophobicContact CE1-CB 4.43Å; F324-C333 HydrophobicContact CZ-CB 3.88Å; F324-C333 VanDerWaalsContact CZ-SG 3.57Å; Q329-C333 WeakPolarHBondContact O-CB 3.48Å; Q329-C333 PolarHBondContact O-N 3.25Å; Q329-C333 PolarHBondContact O-SG 3.34Å; A330-C333 PolarHBondContact O-N 2.84Å; C333-T336 PolarHBondContact O-N 3.32Å; C333-L337 VanDerWaalsContact O-CB 3.31Å; C333-L337 WeakPolarHBondContact O-CB 3.25Å; C333-L337 PolarHBondContact O-N 3.38Å |
| 334 | L | 93.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -50.3 | 176.9 | -168.1 | 161.9 | 0 | 0 | 0 | 110.6 | L281 A330 L331 T336 N338 V349 W351 | L281-L334 HydrophobicContact CD1-CB 4.48Å; L281-L334 HydrophobicContact CD2-CB 4.12Å; L281-L334 HydrophobicContact CD2-CD1 3.97Å; L281-L334 HydrophobicContact CD2-CG 4.43Å; A330-L334 WeakPolarHBondContact O-CB 3.48Å; A330-L334 PolarHBondContact O-N 2.75Å; L331-L334 PolarHBondContact O-N 3.45Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 2.72Å; L334-N338 WeakPolarHBondContact O-CB 3.47Å; L334-N338 PolarHBondContact O-N 2.85Å; L334-N338 VanDerWaalsContact O-N 3.11Å; L334-V349 HydrophobicContact CB-CG1 4.41Å; L334-V349 HydrophobicContact CG-CG1 4.29Å; L334-W351 HydrophobicContact CD1-CD2 3.98Å; L334-W351 HydrophobicContact CD1-CG 4.03Å; L334-W351 HydrophobicContact CD1-CZ2 4.23Å |
| 335 | H | 92.7 | Very high | 91 | Very high | 140 Ų | 140 | 65 Ų | 65 | 65% | 0.648 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.5 | -29.6 | 178.4 | -67.5 | 176.4 | 0 | 0 | 0 | 113.5 | L331 Q332 | L331-H335 PolarHBondContact O-N 3.17Å; Q332-H335 PolarHBondContact O-N 2.79Å |
| 336 | T | 92.2 | Very high | 90.9 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -89.1 | -31.4 | -174.6 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | A302 Q332 C333 L334 T340 | A302-T336 HydrophobicContact CB-CG2 4.06Å; Q332-T336 WeakPolarHBondContact O-CB 3.36Å; Q332-T336 PolarHBondContact O-N 2.9Å; Q332-T336 PolarHBondContact O-OG1 2.93Å; C333-T336 PolarHBondContact O-N 3.32Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 2.72Å; T336-T340 VanDerWaalsContact O-CG2 3.27Å; T336-T340 WeakPolarHBondContact O-CG2 3.42Å |
| 337 | L | 92.1 | Very high | 90.9 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -111.1 | -13.7 | -173.4 | -66 | 175.9 | 0 | 0 | 0 | 114.4 | F299 A302 C333 D339 T340 I347 V349 | F299-L337 HydrophobicContact CB-CD1 4.27Å; F299-L337 HydrophobicContact CD1-CD1 3.45Å; F299-L337 VanDerWaalsContact CD1-CD1 3.45Å; F299-L337 HydrophobicContact CD2-CD1 3.64Å; F299-L337 HydrophobicContact CE1-CB 4.25Å; F299-L337 HydrophobicContact CE1-CD1 3.52Å; F299-L337 HydrophobicContact CE2-CD1 3.71Å; F299-L337 HydrophobicContact CG-CD1 3.52Å; F299-L337 HydrophobicContact CZ-CB 4.15Å; F299-L337 HydrophobicContact CZ-CD1 3.65Å; A302-L337 HydrophobicContact CB-CD1 3.48Å; A302-L337 VanDerWaalsContact CB-CD1 3.48Å; A302-L337 HydrophobicContact CB-CD2 4.12Å; A302-L337 HydrophobicContact CB-CG 3.64Å; C333-L337 VanDerWaalsContact O-CB 3.31Å; C333-L337 WeakPolarHBondContact O-CB 3.25Å; C333-L337 PolarHBondContact O-N 3.38Å; L337-D339 PolarHBondContact O-N 2.84Å; L337-T340 HydrophobicContact CD2-CG2 4.47Å; L337-T340 PolarHBondContact O-N 2.81Å; L337-T340 PolarHBondContact O-OG1 2.88Å; L337-I347 HydrophobicContact CB-CD1 4.39Å; L337-I347 WeakPolarHBondContact O-CD1 3.16Å; L337-I347 WeakPolarHBondContact O-CG1 3.23Å; L337-V349 HydrophobicContact CB-CG2 4.24Å |
| 338 | N | 91.8 | Very high | 90.9 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 140.7 | 168.8 | -176.6 | 57.1 | 0 | 0 | 0 | 110.6 | L334 T340 E348 V349 | L334-N338 WeakPolarHBondContact O-CB 3.47Å; L334-N338 PolarHBondContact O-N 2.85Å; L334-N338 VanDerWaalsContact O-N 3.11Å; N338-T340 PolarHBondContact O-N 2.75Å; N338-T340 VanDerWaalsContact O-N 3.11Å; N338-E348 WeakPolarHBondContact OD1-CA 3.12Å; N338-V349 HydrophobicContact CB-CB 4.07Å; N338-V349 PolarHBondContact OD1-N 3.34Å |
| 339 | D | 89.7 | Confident | 91 | Very high | 73 Ų | 73 | 52.3 Ų | 52.3 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 7.8 | -177.8 | -70.1 | -62.1 | 0 | 0 | 0 | 116.3 | L337 K346 I347 | L337-D339 PolarHBondContact O-N 2.84Å; D339-K346 VanDerWaalsContact O-CE 3.22Å; D339-K346 WeakPolarHBondContact O-CE 3.36Å; D339-K346 WeakPolarHBondContact O-CG 3.46Å; D339-K346 WeakPolarHBondContact OD1-CE 3.48Å; D339-K346 IonicContact OD1-NZ 2.94Å; D339-K346 PolarHBondContact OD1-NZ 3.09Å; D339-I347 VanDerWaalsContact CA-O 3.27Å; D339-I347 WeakPolarHBondContact CA-O 3.45Å; D339-I347 PolarHBondContact N-O 3.45Å |
| 340 | T | 92.2 | Very high | 91.1 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | trans | -80.1 | 170.7 | 174.8 | 66 | 0 | 0 | 0 | 0 | 113.1 | T336 L337 N338 K346 I347 | T336-T340 VanDerWaalsContact O-CG2 3.27Å; T336-T340 WeakPolarHBondContact O-CG2 3.42Å; L337-T340 HydrophobicContact CD2-CG2 4.47Å; L337-T340 PolarHBondContact O-N 2.81Å; L337-T340 PolarHBondContact O-OG1 2.88Å; N338-T340 PolarHBondContact O-N 2.75Å; N338-T340 VanDerWaalsContact O-N 3.11Å; T340-K346 CarbonylContact O-C 3.6Å; T340-K346 VanDerWaalsContact O-CA 3.32Å; T340-K346 WeakPolarHBondContact O-CA 3.44Å; T340-I347 WeakPolarHBondContact O-CG1 3.49Å; T340-I347 PolarHBondContact O-N 3.02Å | ||
| 341 | Y | 90.5 | Very high | 91.1 | Very high | 164 Ų | 164 | 56.1 Ų | 56.1 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.3 | 179.1 | -72.4 | -99.8 | 0 | 0 | 0 | 112 | S345 K346 | Y341-S345 CarbonylContact C-O 3.53Å; Y341-S345 VanDerWaalsContact CA-O 3.32Å; Y341-S345 WeakPolarHBondContact CA-O 3.46Å; Y341-K346 HydrophobicContact CD1-CB 4.13Å; Y341-K346 HydrophobicContact CD2-CG 4.48Å; Y341-K346 HydrophobicContact CE1-CB 3.74Å; Y341-K346 HydrophobicContact CE1-CG 4.33Å; Y341-K346 HydrophobicContact CE2-CB 4.38Å; Y341-K346 HydrophobicContact CE2-CG 4.06Å |
| 342 | I | 88.7 | Confident | 91.1 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.5 | 169.6 | -58 | -172.2 | 0 | 0 | 0 | 108.2 | T290 L295 F299 G344 S345 I347 | T290-I342 HydrophobicContact CG2-CG2 3.95Å; L295-I342 HydrophobicContact CD2-CD1 4.28Å; F299-I342 HydrophobicContact CE2-CD1 4.48Å; I342-G344 PolarHBondContact O-N 2.93Å; I342-S345 PolarHBondContact N-O 3.17Å; I342-S345 PolarHBondContact O-N 3.16Å; I342-I347 HydrophobicContact CB-CG2 3.97Å; I342-I347 HydrophobicContact CD1-CD1 3.65Å; I342-I347 HydrophobicContact CD1-CG1 4.42Å; I342-I347 HydrophobicContact CD1-CG2 4.37Å; I342-I347 HydrophobicContact CG1-CD1 4.06Å; I342-I347 HydrophobicContact CG1-CG1 4.32Å; I342-I347 HydrophobicContact CG1-CG2 4.1Å |
| 343 | D | 84.8 | Confident | 91 | Very high | 79 Ų | 79 | 53 Ų | 53 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 21.3 | -173.1 | -56.7 | -24.6 | 0 | 0 | 0 | 115.2 | M287 T290 | M287-D343 HydrophobicContact CG-CB 4.29Å; M287-D343 HydrophobicContact SD-CB 3.81Å; T290-D343 WeakPolarHBondContact CA-OD2 3.35Å; T290-D343 WeakPolarHBondContact CB-OD2 3.39Å; T290-D343 WeakPolarHBondContact CG2-OD2 3.44Å; T290-D343 PolarHBondContact N-OD2 2.88Å; T290-D343 PolarHBondContact OG1-OD2 2.84Å |
| 344 | G | 83.5 | Confident | 90.6 | Very high | 67 Ų | 67 | 55.9 Ų | 55.9 | 69% | 0.691 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I342 | I342-G344 PolarHBondContact O-N 2.93Š|
| 345 | S | 85.6 | Confident | 89.9 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.6 | 168.9 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | K223 N285 M287 Y341 I342 I347 | K223-S345 WeakPolarHBondContact CD-OG 3.4Å; K223-S345 WeakPolarHBondContact CE-OG 3.48Å; K223-S345 VanDerWaalsContact NZ-CB 3.28Å; K223-S345 PolarHBondContact NZ-OG 2.92Å; N285-S345 WeakPolarHBondContact O-CB 3.43Å; M287-S345 WeakPolarHBondContact CG-OG 3.48Å; M287-S345 PolarHBondContact SD-OG 3.43Å; Y341-S345 CarbonylContact C-O 3.53Å; Y341-S345 VanDerWaalsContact CA-O 3.32Å; Y341-S345 WeakPolarHBondContact CA-O 3.46Å; I342-S345 PolarHBondContact N-O 3.17Å; I342-S345 PolarHBondContact O-N 3.16Å; S345-I347 PolarHBondContact O-N 3.14Å |
| 346 | K | 89.7 | Confident | 88.7 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 110.4 | 171.9 | -159.8 | -164.2 | -167.3 | -154.9 | 0 | 109.9 | N285 D339 T340 Y341 | N285-K346 PolarHBondContact ND2-O 3.27Å; D339-K346 VanDerWaalsContact O-CE 3.22Å; D339-K346 WeakPolarHBondContact O-CE 3.36Å; D339-K346 WeakPolarHBondContact O-CG 3.46Å; D339-K346 WeakPolarHBondContact OD1-CE 3.48Å; D339-K346 IonicContact OD1-NZ 2.94Å; D339-K346 PolarHBondContact OD1-NZ 3.09Å; T340-K346 CarbonylContact O-C 3.6Å; T340-K346 VanDerWaalsContact O-CA 3.32Å; T340-K346 WeakPolarHBondContact O-CA 3.44Å; Y341-K346 HydrophobicContact CD1-CB 4.13Å; Y341-K346 HydrophobicContact CD2-CG 4.48Å; Y341-K346 HydrophobicContact CE1-CB 3.74Å; Y341-K346 HydrophobicContact CE1-CG 4.33Å; Y341-K346 HydrophobicContact CE2-CB 4.38Å; Y341-K346 HydrophobicContact CE2-CG 4.06Å |
| 347 | I | 92.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | trans | -84.9 | 153.7 | 178 | 66.2 | 155 | 0 | 0 | 0 | 110.7 | V283 L286 F299 L337 D339 T340 I342 S345 V349 | V283-I347 HydrophobicContact CG1-CB 4.23Å; V283-I347 HydrophobicContact CG1-CD1 3.99Å; L286-I347 HydrophobicContact CD2-CG2 3.69Å; F299-I347 HydrophobicContact CE2-CD1 4.4Å; F299-I347 HydrophobicContact CZ-CD1 4.29Å; L337-I347 HydrophobicContact CB-CD1 4.39Å; L337-I347 WeakPolarHBondContact O-CD1 3.16Å; L337-I347 WeakPolarHBondContact O-CG1 3.23Å; D339-I347 VanDerWaalsContact CA-O 3.27Å; D339-I347 WeakPolarHBondContact CA-O 3.45Å; D339-I347 PolarHBondContact N-O 3.45Å; T340-I347 WeakPolarHBondContact O-CG1 3.49Å; T340-I347 PolarHBondContact O-N 3.02Å; I342-I347 HydrophobicContact CB-CG2 3.97Å; I342-I347 HydrophobicContact CD1-CD1 3.65Å; I342-I347 HydrophobicContact CD1-CG1 4.42Å; I342-I347 HydrophobicContact CD1-CG2 4.37Å; I342-I347 HydrophobicContact CG1-CD1 4.06Å; I342-I347 HydrophobicContact CG1-CG1 4.32Å; I342-I347 HydrophobicContact CG1-CG2 4.1Å; S345-I347 PolarHBondContact O-N 3.14Å; I347-V349 HydrophobicContact CD1-CG2 3.86Å | ||
| 348 | E | 92.2 | Very high | 85.7 | Confident | 55 Ų | 55 | 66 Ų | 66 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.1 | 173.5 | -65.1 | 169 | -143 | 0 | 0 | 108.5 | V283 R284 N338 | V283-E348 WeakPolarHBondContact CA-O 3.41Å; R284-E348 HydrophobicContact CG-CB 3.81Å; R284-E348 IonicContact CZ-OE2 3.66Å; R284-E348 PolarHBondContact N-O 2.78Å; R284-E348 IonicContact NE-OE2 2.6Å; R284-E348 PolarHBondContact NE-OE2 3.36Å; R284-E348 IonicContact NH2-OE2 2.79Å; R284-E348 PolarHBondContact NH2-OE2 3.18Å; R284-E348 PolarHBondContact O-N 2.73Å; N338-E348 WeakPolarHBondContact OD1-CA 3.12Å |
| 349 | V | 94.8 | Very high | 83.9 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118.9 | -170.4 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | L281 V283 F299 L334 L337 N338 I347 | L281-V349 HydrophobicContact CB-CG1 4.13Å; L281-V349 HydrophobicContact CD1-CG1 3.81Å; L281-V349 HydrophobicContact CD2-CG1 4.46Å; L281-V349 HydrophobicContact CG-CG1 4.36Å; V283-V349 HydrophobicContact CG1-CG2 4.23Å; V283-V349 HydrophobicContact CG2-CG1 4.43Å; V283-V349 HydrophobicContact CG2-CG2 4.34Å; F299-V349 HydrophobicContact CE1-CG1 4.26Å; F299-V349 HydrophobicContact CE1-CG2 4.4Å; F299-V349 HydrophobicContact CZ-CG2 3.98Å; L334-V349 HydrophobicContact CB-CG1 4.41Å; L334-V349 HydrophobicContact CG-CG1 4.29Å; L337-V349 HydrophobicContact CB-CG2 4.24Å; N338-V349 HydrophobicContact CB-CB 4.07Å; N338-V349 PolarHBondContact OD1-N 3.34Å; I347-V349 HydrophobicContact CD1-CG2 3.86Å |
| 350 | T | 93.8 | Very high | 82 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 165.8 | 178 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | L281 Y282 A352 | L281-T350 WeakPolarHBondContact CA-O 3.27Å; Y282-T350 PolarHBondContact N-O 2.94Å; Y282-T350 PolarHBondContact O-N 2.79Å; T350-A352 PolarHBondContact O-N 2.83Å |
| 351 | W | 94.2 | Very high | 79.4 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 137 | 164.4 | -66.6 | 110.6 | 0 | 0 | 0 | 110.2 | M275 V278 L281 R327 A330 L331 L334 | M275-W351 HydrophobicContact CE-CB 3.77Å; V278-W351 HydrophobicContact CB-CE3 4.35Å; V278-W351 HydrophobicContact CG1-CE3 3.89Å; V278-W351 WeakPolarHBondContact O-CZ3 3.4Å; L281-W351 HydrophobicContact CD2-CD2 4.27Å; L281-W351 HydrophobicContact CD2-CE3 3.73Å; L281-W351 HydrophobicContact CD2-CH2 4.37Å; L281-W351 HydrophobicContact CD2-CZ3 3.8Å; R327-W351 HydrophobicContact CG-CH2 3.89Å; A330-W351 HydrophobicContact CB-CH2 3.76Å; A330-W351 HydrophobicContact CB-CZ3 3.7Å; L331-W351 HydrophobicContact CB-CH2 4.29Å; L331-W351 HydrophobicContact CB-CZ2 4.11Å; L331-W351 HydrophobicContact CD1-CZ2 4.04Å; L334-W351 HydrophobicContact CD1-CD2 3.98Å; L334-W351 HydrophobicContact CD1-CG 4.03Å; L334-W351 HydrophobicContact CD1-CZ2 4.23Å |
| 352 | A | 93 | Very high | 77.3 | Confident | 8 Ų | 8 | 69 Ų | 69 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 125.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I280 F321 T350 | I280-A352 HydrophobicContact CB-CB 4Å; I280-A352 HydrophobicContact CG2-CB 3.73Å; I280-A352 WeakPolarHBondContact O-CB 3.29Å; I280-A352 PolarHBondContact O-N 2.81Å; F321-A352 HydrophobicContact CD1-CB 3.93Å; F321-A352 HydrophobicContact CE1-CB 4.09Å; T350-A352 PolarHBondContact O-N 2.83Å |
| 353 | K | 89.6 | Confident | 75 | Confident | 92 Ų | 92 | 76.4 Ų | 76.4 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 128.2 | 172.9 | -67.7 | -170.7 | 171.7 | -177.4 | 0 | 109 | E267 R268 | E267-K353 IonicContact OE1-NZ 3.29Å; E267-K353 PolarHBondContact OE1-NZ 2.86Å; R268-K353 PolarHBondContact O-NZ 2.81Å |
| 354 | P | 85.2 | Confident | 72.7 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 39% | 0.39 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 143.4 | 176.6 | 28 | -34.9 | 0 | 0 | 0 | 110.1 | V270 I274 | V270-P354 HydrophobicContact CG1-CG 3.76Å; I274-P354 HydrophobicContact CG2-CG 3.86Å |
| 355 | V | 79.8 | Confident | 70.1 | Confident | 99 Ų | 99 | 84.1 Ų | 84.1 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -95.2 | 121.2 | 177.3 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | K357 L360 | V355-K357 PolarHBondContact O-N 2.74Å; V355-L360 HydrophobicContact CG1-CD1 3.74Å; V355-L360 HydrophobicContact CG1-CG 4Å |
| 356 | D | 67.5 | Low | 67.3 | Low | 80 Ų | 80 | 89.1 Ų | 89.1 | 43% | 0.428 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 130.4 | 168.7 | -166.1 | -27.6 | 0 | 0 | 0 | 109.2 | N358 E359 | D356-N358 VanDerWaalsContact C-N 3.26Å; D356-N358 PolarHBondContact O-N 3.48Å; D356-N358 WeakPolarHBondContact OD1-CB 3.43Å; D356-N358 PolarHBondContact OD1-N 3.31Å; D356-E359 HydrophobicContact CB-CG 4.49Å |
| 357 | K | 62 | Low | 64.4 | Low | 171 Ų | 171 | 90.3 Ų | 90.3 | 74% | 0.743 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -24.5 | 179.8 | -66.5 | -179.2 | -179.7 | 176.7 | 0 | 112.1 | V355 | V355-K357 PolarHBondContact O-N 2.74Š|
| 358 | N | 58.3 | Low | 61.4 | Low | 126 Ų | 126 | 101.8 Ų | 101.8 | 67% | 0.674 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -37.4 | -176.3 | -64.8 | -22 | 0 | 0 | 0 | 111.9 | D356 | D356-N358 VanDerWaalsContact C-N 3.26Å; D356-N358 PolarHBondContact O-N 3.48Å; D356-N358 WeakPolarHBondContact OD1-CB 3.43Å; D356-N358 PolarHBondContact OD1-N 3.31Å |
| 359 | E | 54.6 | Low | 58.6 | Low | 73 Ų | 73 | 104.2 Ų | 104.2 | 34% | 0.341 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.3 | -177.5 | -58.5 | -179.8 | 87.9 | 0 | 0 | 114.1 | R268 D356 N361 T362 R363 | R268-E359 IonicContact CZ-OE1 2.79Å; R268-E359 IonicContact CZ-OE2 2.97Å; R268-E359 VanDerWaalsContact NH1-CD 3.34Å; R268-E359 IonicContact NH1-OE1 3Å; R268-E359 PolarHBondContact NH1-OE1 2.9Å; R268-E359 IonicContact NH1-OE2 3.72Å; R268-E359 PolarHBondContact NH1-OE2 2.91Å; R268-E359 VanDerWaalsContact NH2-CD 3.32Å; R268-E359 IonicContact NH2-OE1 3.69Å; R268-E359 PolarHBondContact NH2-OE1 3.36Å; R268-E359 IonicContact NH2-OE2 2.83Å; R268-E359 PolarHBondContact NH2-OE2 2.83Å; D356-E359 HydrophobicContact CB-CG 4.49Å; E359-N361 PolarHBondContact O-N 3.12Å; E359-T362 PolarHBondContact O-N 3.23Å; E359-T362 VanDerWaalsContact O-N 3.16Å; E359-R363 PolarHBondContact O-N 3.26Å |
| 360 | L | 49.2 | Very low | 55.4 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 44% | 0.44 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -21.4 | 178.3 | -99.6 | 163 | 0 | 0 | 0 | 113 | V355 Q364 | V355-L360 HydrophobicContact CG1-CD1 3.74Å; V355-L360 HydrophobicContact CG1-CG 4Å; L360-Q364 PolarHBondContact O-NE2 2.99Å |
| 361 | N | 37.5 | Very low | 52.4 | Low | 120 Ų | 120 | 111.7 Ų | 111.7 | 64% | 0.642 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -42.6 | 173.9 | -69.7 | -22.4 | 0 | 0 | 0 | 111.8 | E359 R363 Q364 | E359-N361 PolarHBondContact O-N 3.12Å; N361-R363 PolarHBondContact O-N 3.35Å; N361-Q364 PolarHBondContact O-N 3.39Å |
| 362 | T | 46.5 | Very low | 49.4 | Very low | 117 Ų | 117 | 120 Ų | 120 | 72% | 0.718 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -66 | -37.3 | -176.7 | -37 | 0 | 0 | 0 | 0 | 112.2 | E359 Q364 | E359-T362 PolarHBondContact O-N 3.23Å; E359-T362 VanDerWaalsContact O-N 3.16Å; T362-Q364 VanDerWaalsContact C-N 3.27Å; T362-Q364 PolarHBondContact O-N 3.23Å |
| 363 | R | 39.8 | Very low | 46.4 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 65% | 0.649 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -75 | -4.6 | -179.5 | -104.2 | -174.6 | 175.1 | -155 | -1.8 | 115.5 | E265 E359 N361 | E265-R363 IonicContact OE1-CZ 3.42Å; E265-R363 IonicContact OE1-NH2 2.85Å; E265-R363 PolarHBondContact OE1-NH2 3.47Å; E265-R363 IonicContact OE2-NH2 3.25Å; E265-R363 PolarHBondContact OE2-NH2 3.43Å; E359-R363 PolarHBondContact O-N 3.26Å; N361-R363 PolarHBondContact O-N 3.35Å |
| 364 | Q | 36.4 | Very low | 43.8 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -97.8 | -5 | -177.7 | -76.1 | -178.4 | 89.5 | 0 | 0 | 114.8 | L360 N361 T362 P366 | L360-Q364 PolarHBondContact O-NE2 2.99Å; N361-Q364 PolarHBondContact O-N 3.39Å; T362-Q364 VanDerWaalsContact C-N 3.27Å; T362-Q364 PolarHBondContact O-N 3.23Å; Q364-P366 WeakPolarHBondContact O-CD 3.37Å |
| 365 | Q | 28.9 | Very low | 41.4 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -92 | 118.4 | 167.4 | -67.8 | -154.6 | 34 | 0 | 0 | 111.2 | S367 | Q365-S367 PolarHBondContact O-N 2.87Š|
| 366 | P | 27.7 | Very low | 39.1 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | trans | -78.2 | 87.5 | 174.1 | 31.8 | -33.6 | 0 | 0 | 0 | 110.2 | Q364 R368 | Q364-P366 WeakPolarHBondContact O-CD 3.37Å; P366-R368 PolarHBondContact O-N 3.16Å | ||
| 367 | S | 29.3 | Very low | 37.5 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -66.1 | 85.1 | -179 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | Q365 T369 | Q365-S367 PolarHBondContact O-N 2.87Å; S367-T369 PolarHBondContact O-N 3.21Å | ||
| 368 | R | 30.1 | Very low | 36.2 | Very low | 242 Ų | 242 | 138.2 Ų | 138.2 | 91% | 0.913 | 72% | 0.723 | S | S | * | * | trans | -70.7 | 47.3 | 177.3 | -77.2 | 180 | 156.4 | -175 | -4.6 | 114.2 | P366 | P366-R368 PolarHBondContact O-N 3.16Š| ||
| 369 | T | 31.4 | Very low | 35 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 64% | 0.644 | 72% | 0.72 | S | S | * | * | trans | -150.1 | 106.8 | 173 | 45.8 | 0 | 0 | 0 | 0 | 111.5 | S367 | S367-T369 PolarHBondContact O-N 3.21Š| ||
| 370 | P | 28 | Very low | 34 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 127.3 | 162.9 | 30.7 | -30.8 | 0 | 0 | 0 | 109.2 | ||
| 371 | G | 31.1 | Very low | 33.2 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130 | 7.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 372 | R | 32.3 | Very low | 33.2 | Very low | 224 Ų | 224 | 143.6 Ų | 143.6 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -137.7 | 68.2 | 179.2 | -148.7 | 179.1 | -161.1 | -168.4 | 5.3 | 114.2 | ||||
| 373 | L | 29.3 | Very low | 32.7 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -129.2 | 79.1 | 160.6 | -79.4 | 179.8 | 0 | 0 | 0 | 109.7 | ||||
| 374 | I | 35.3 | Very low | 32.4 | Very low | 139 Ų | 139 | 146 Ų | 146 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -133.7 | 136.6 | 161.7 | -38.4 | 175.2 | 0 | 0 | 0 | 104.4 | ||
| 375 | N | 33.7 | Very low | 32.3 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 71 | 37.2 | 177.9 | -56.5 | -14.2 | 0 | 0 | 0 | 118.7 | ||
| 376 | E | 33.1 | Very low | 32.4 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -127.8 | 70.2 | 154.7 | -80.1 | -158.4 | 134.1 | 0 | 0 | 112.4 | ||||
| 377 | L | 33.3 | Very low | 32.4 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -128.4 | 61.6 | 154.1 | -79.8 | 178.9 | 0 | 0 | 0 | 108.9 | L379 | L377-L379 PolarHBondContact O-N 2.62Š| ||
| 378 | V | 34.2 | Very low | 32.5 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | -84.9 | 92.3 | 168.3 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | S380 | V378-S380 VanDerWaalsContact C-N 3.3Å; V378-S380 PolarHBondContact O-N 3.43Å | ||
| 379 | L | 33.2 | Very low | 32.4 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 60% | 0.602 | 79% | 0.785 | S | S | * | * | trans | -71.2 | 87.9 | 164.3 | -78.1 | 166.9 | 0 | 0 | 0 | 109 | L377 | L377-L379 PolarHBondContact O-N 2.62Š| ||
| 380 | S | 33 | Very low | 32.3 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -113.1 | 75.5 | 169.7 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | V378 D382 | V378-S380 VanDerWaalsContact C-N 3.3Å; V378-S380 PolarHBondContact O-N 3.43Å; S380-D382 PolarHBondContact O-N 2.64Å | ||
| 381 | N | 34.1 | Very low | 32.4 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -69.5 | 104 | 152.4 | -103.9 | 13.1 | 0 | 0 | 0 | 106.8 | ||||
| 382 | D | 36.7 | Very low | 32.4 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -150 | 110.6 | 160.1 | -114.5 | -39.4 | 0 | 0 | 0 | 110.9 | S380 N384 | S380-D382 PolarHBondContact O-N 2.64Å; D382-N384 VanDerWaalsContact C-N 3.32Å; D382-N384 PolarHBondContact O-N 3.42Å | ||
| 383 | Q | 35.3 | Very low | 32.3 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | -90.3 | 67.5 | 175.9 | -72 | 178.7 | -90.2 | 0 | 0 | 110.1 | ||||
| 384 | N | 34.4 | Very low | 32.3 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -155.2 | 114.5 | 165.4 | -96.1 | -43.1 | 0 | 0 | 0 | 111.9 | D382 | D382-N384 VanDerWaalsContact C-N 3.32Å; D382-N384 PolarHBondContact O-N 3.42Å | ||
| 385 | M | 33.3 | Very low | 32.4 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 165 | 78.1 | 137.1 | -89.2 | -57.9 | -74.8 | 0 | 0 | 110.5 | A387 | M385-A387 PolarHBondContact O-N 2.85Š| ||
| 386 | I | 30.7 | Very low | 32.3 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | trans | -87.6 | 74.3 | 172.1 | -52.6 | 170.8 | 0 | 0 | 0 | 109.1 | ||||
| 387 | A | 28.7 | Very low | 32.4 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -176.3 | 98.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M385 | M385-A387 PolarHBondContact O-N 2.85Š| ||
| 388 | A | 31.2 | Very low | 32.5 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -172.2 | 65 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 389 | A | 27.8 | Very low | 32.2 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -105.2 | 142.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 390 | T | 29.3 | Very low | 32.4 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | trans | 70.5 | 112.4 | 156.6 | -45.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 391 | A | 29.6 | Very low | 32.4 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | 160.1 | 165.4 | 112.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 392 | V | 31.4 | Very low | 32.4 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | 72.6 | 76.9 | 157.5 | -154.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 393 | V | 31.4 | Very low | 32 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | 47.9 | 108 | 104.3 | -176.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 394 | A | 28.9 | Very low | 31.7 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | 52.6 | 113.5 | 130.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 395 | A | 36.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | -158.7 | 151.2 | 128.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 396 | G | 32.3 | Very low | 31.3 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | cis | 146.4 | 94.3 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 397 | G | 34.3 | Very low | 31.7 | Very low | 81 Ų | 81 | 123.1 Ų | 123.1 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -174.9 | 141.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 398 | M | 34.8 | Very low | 31.9 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 96% | 0.956 | 81% | 0.813 | S | S | * | * | trans | -66.7 | 155.1 | -165.3 | -114.3 | 84.3 | 83.5 | 0 | 0 | 118.1 | ||||
| 399 | L | 29.4 | Very low | 32 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 73% | 0.728 | 81% | 0.807 | S | S | * | * | trans | -81.4 | 162.6 | 157.1 | -112.1 | 161 | 0 | 0 | 0 | 111.1 | Q401 | L399-Q401 HydrophobicContact CD2-CG 4.48Š| ||
| 400 | P | 36.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | -140.3 | 162.5 | 108.1 | 38.8 | -27.8 | 0 | 0 | 0 | 114.8 | |||||
| 401 | Q | 31.9 | Very low | 32.8 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -94.1 | 160.7 | 168.8 | -70.6 | -163.2 | 57.1 | 0 | 0 | 112.1 | L399 | L399-Q401 HydrophobicContact CD2-CG 4.48Š| ||
| 402 | L | 34.8 | Very low | 33.1 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | -137.6 | 155.7 | 157.4 | -92.8 | 171.6 | 0 | 0 | 0 | 109.6 | ||||
| 403 | E | 28.3 | Very low | 33.3 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -140 | 142.3 | -144.7 | 177 | 175.5 | -158.4 | 0 | 0 | 114.4 | ||||
| 404 | S | 28.4 | Very low | 33.4 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | 63.5 | 150.7 | 167.1 | 76.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 405 | T | 30.8 | Very low | 33.9 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | -162.8 | 162.2 | 61.3 | 42.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 406 | S | 28.7 | Very low | 34.1 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -144.6 | 150.8 | 173.5 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 407 | P | 39.2 | Very low | 34.4 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -130.4 | 169.8 | 165.8 | 40.1 | -28.6 | 0 | 0 | 0 | 114 | ||||
| 408 | F | 33.6 | Very low | 34.5 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -171.4 | 175.8 | -48.5 | -139.5 | -91.7 | 0 | 0 | 0 | 107.1 | L410 | F408-L410 HydrophobicContact CD1-CD1 4.27Å; F408-L410 HydrophobicContact CE1-CD1 4.26Å | ||
| 409 | F | 34.1 | Very low | 34.7 | Very low | 180 Ų | 180 | 133 Ų | 133 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | trans | 76 | 142.4 | 173.8 | -63.2 | -91.1 | 0 | 0 | 0 | 118.1 | ||||
| 410 | L | 33.9 | Very low | 35 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 65% | 0.654 | 77% | 0.766 | S | S | * | * | cis | 166.4 | 179 | -38.5 | -93.7 | 163.5 | 0 | 0 | 0 | 106.8 | F408 | F408-L410 HydrophobicContact CD1-CD1 4.27Å; F408-L410 HydrophobicContact CE1-CD1 4.26Å | ||
| 411 | P | 39.4 | Very low | 35 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -130.4 | 173.9 | -48.5 | 37.7 | -23.7 | 0 | 0 | 0 | 114 | ||||
| 412 | S | 35.1 | Very low | 35 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -152.2 | 144.5 | 134.2 | -163.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 413 | Q | 35.8 | Very low | 35.4 | Very low | 192 Ų | 192 | 130 Ų | 130 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | -71.3 | 163.2 | -167.1 | -50.6 | 170.6 | 12.1 | 0 | 0 | 113.1 | ||||
| 414 | G | 34.6 | Very low | 35.8 | Very low | 57 Ų | 57 | 127.3 Ų | 127.3 | 59% | 0.588 | 75% | 0.75 | S | S | * | * | cis | -178.6 | 145.3 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 415 | T | 38.2 | Very low | 35.9 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | 67.7 | 146 | 84 | 59.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 416 | P | 41.2 | Very low | 36 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | cis | -142.6 | -161.2 | -19.7 | 34.6 | -10.8 | 0 | 0 | 0 | 114.7 | ||||
| 417 | M | 38.4 | Very low | 36.4 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | 79.8 | 134.2 | 166.6 | -43.6 | -55.2 | -79.2 | 0 | 0 | 117.9 | ||||
| 418 | G | 37.8 | Very low | 36.2 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | cis | 179.8 | 142.9 | -9.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 419 | T | 38.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 57 | 109 | 142.7 | 57 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 420 | D | 34.8 | Very low | 36.4 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 93.3 | 116 | 110 | -61.1 | -10 | 0 | 0 | 0 | 124.6 | |||||
| 421 | L | 37 | Very low | 36.5 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | 86.1 | 133.6 | 127.1 | -65.4 | 171.5 | 0 | 0 | 0 | 123.8 | |||||
| 422 | L | 33.2 | Very low | 36.3 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -49.6 | 175.2 | 164.6 | -92.8 | 70.1 | 0 | 0 | 0 | 116.4 | ||||
| 423 | P | 42.7 | Very low | 36.3 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | cis | -143.2 | -174.9 | -16.1 | 32.6 | -10.2 | 0 | 0 | 0 | 116.4 | ||||
| 424 | T | 36.7 | Very low | 36.5 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | 66.4 | 113.9 | 148.8 | 41.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 425 | N | 30.3 | Very low | 36.5 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | 40.8 | 110.6 | 134.7 | -56.2 | -9.9 | 0 | 0 | 0 | 118.2 | ||||
| 426 | S | 34.1 | Very low | 36.5 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | 176.7 | 167.8 | 64.2 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 427 | N | 35.6 | Very low | 36.3 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | 70.4 | 128.8 | 150.3 | -72.8 | -14.4 | 0 | 0 | 0 | 122.5 | ||||
| 428 | I | 36.3 | Very low | 36.2 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 83.1 | 106.1 | 131.7 | -67.5 | 172.1 | 0 | 0 | 0 | 120.1 | ||||
| 429 | L | 35.5 | Very low | 36 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | trans | 55.9 | 116.7 | 136.2 | -87.1 | 84.4 | 0 | 0 | 0 | 123.2 | ||||
| 430 | N | 35.1 | Very low | 35.7 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | 100.1 | 131.2 | 115.4 | -154.4 | 27 | 0 | 0 | 0 | 121 | |||||
| 431 | S | 35.9 | Very low | 36.1 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 45.4 | 116.8 | 150.7 | 62.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 432 | G | 35.8 | Very low | 35.9 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | 138.4 | 117.1 | 95.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 433 | R | 35.9 | Very low | 36 | Very low | 231 Ų | 231 | 124.3 Ų | 124.3 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | 82.6 | 147 | 132.9 | -101.4 | -175.3 | 173.6 | 134.4 | 0.1 | 122.7 | ||||
| 434 | T | 38.8 | Very low | 35.6 | Very low | 110 Ų | 110 | 128 Ų | 128 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | 71 | 139.7 | 146.6 | 52.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 435 | D | 35 | Very low | 35.4 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | cis | -173.4 | 178.3 | -29.6 | -115 | -44.5 | 0 | 0 | 0 | 110 | ||||
| 436 | N | 38.2 | Very low | 35.7 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 89 | 115.3 | 167.1 | -56.6 | -70.2 | 0 | 0 | 0 | 116.4 | ||||
| 437 | N | 37.1 | Very low | 35.6 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | 87.3 | 141.5 | 60.4 | -72.6 | -32.2 | 0 | 0 | 0 | 111.8 | |||||
| 438 | L | 36.2 | Very low | 35.6 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | -163.8 | 164.6 | -3.1 | -120.2 | 164.1 | 0 | 0 | 0 | 109.8 | ||||
| 439 | G | 34.4 | Very low | 35.7 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 108.9 | 99.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 440 | S | 31.2 | Very low | 35.7 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 168.7 | 148.9 | -40.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 441 | P | 43.1 | Very low | 35.8 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -153.8 | -178.2 | 79.1 | 41.1 | -20.9 | 0 | 0 | 0 | 116.7 | |||||
| 442 | S | 33.2 | Very low | 35.8 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 155.6 | 177.9 | -42.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 443 | G | 35 | Very low | 36 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | trans | -161.8 | 147.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 444 | M | 34.3 | Very low | 36 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -119.6 | 160.2 | -176.5 | -73.4 | -171 | 175.7 | 0 | 0 | 113.1 | ||||
| 445 | K | 32.7 | Very low | 36 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | 84.2 | 143.4 | 143.3 | -93.1 | 173.8 | -178.2 | 176.4 | 0 | 121.1 | ||||
| 446 | L | 36.6 | Very low | 36.2 | Very low | 153 Ų | 153 | 137 Ų | 137 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 90.6 | 127.6 | 151.3 | -69.3 | 160.1 | 0 | 0 | 0 | 121.8 | ||||
| 447 | N | 31.2 | Very low | 36.2 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -5.7 | 147 | 150.8 | -60.5 | -10.2 | 0 | 0 | 0 | 117.7 | ||||
| 448 | S | 36.9 | Very low | 36.1 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | -178.6 | 152.7 | 59.5 | -167.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 449 | S | 37.3 | Very low | 36.3 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | 44.1 | 110.6 | 142.6 | 64.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 450 | R | 35.5 | Very low | 36.3 | Very low | 230 Ų | 230 | 138.5 Ų | 138.5 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | 70.5 | 145.3 | 104.3 | -151.7 | -170.1 | -168.3 | -175.8 | 4.7 | 121 | |||||
| 451 | T | 37.6 | Very low | 36.7 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | trans | 105.5 | 142.6 | 153.8 | 74 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 452 | G | 36 | Very low | 36.5 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | 145.9 | 80.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 453 | R | 39.2 | Very low | 36.5 | Very low | 211 Ų | 211 | 135.3 Ų | 135.3 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | 65.3 | 138.5 | 97.9 | -69.5 | -174.5 | -177.7 | -171 | 3.9 | 113.8 | |||||
| 454 | R | 36.9 | Very low | 36.5 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | -176 | 151.1 | -10.1 | -115.8 | 176 | -165 | 168.2 | 0.6 | 108 | ||||
| 455 | N | 37.5 | Very low | 36.6 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 65 | 163.8 | 159 | -48.2 | -5.6 | 0 | 0 | 0 | 115.8 | ||||
| 456 | A | 40.6 | Very low | 36.9 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | cis | -137.7 | 175.1 | -7.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 457 | A | 37.6 | Very low | 36.8 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -106.7 | 152.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 458 | G | 35.8 | Very low | 37.1 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 149.1 | 148.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 459 | S | 39.3 | Very low | 37 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | cis | -166.1 | 130.6 | -19 | -120.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 460 | R | 35.4 | Very low | 37.1 | Very low | 230 Ų | 230 | 149.9 Ų | 149.9 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | 36.8 | 113.4 | 145.7 | -58.8 | 174.1 | 170.1 | -155.6 | -4.7 | 120 | ||||
| 461 | S | 39.7 | Very low | 37.3 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | 165.9 | 121.7 | 113.7 | -70.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 462 | A | 37.7 | Very low | 37.6 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | cis | 91.1 | 112.3 | 41.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 463 | G | 32.9 | Very low | 37.8 | Very low | 84 Ų | 84 | 145.5 Ų | 145.5 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 91.7 | 91.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 464 | A | 35.8 | Very low | 37.8 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -169.6 | 68.1 | 146 | 0 | 0 | 0 | 0 | 0 | 112.2 | K466 | A464-K466 PolarHBondContact O-N 3.19Š| ||
| 465 | Q | 36.8 | Very low | 38.2 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -72.7 | 120.6 | 167.3 | 179.2 | 177.8 | -19.4 | 0 | 0 | 109 | ||||
| 466 | K | 37.9 | Very low | 38.6 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -150.7 | 113.7 | 172.2 | -157.2 | 166.8 | -169.7 | 171.1 | 0 | 111.3 | A464 R468 | A464-K466 PolarHBondContact O-N 3.19Å; K466-R468 PolarHBondContact O-N 2.96Å | ||
| 467 | D | 35.4 | Very low | 38.5 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -62 | 122.8 | -172.3 | -60.8 | -96.3 | 0 | 0 | 0 | 113.3 | ||||
| 468 | R | 36.5 | Very low | 38.7 | Very low | 228 Ų | 228 | 138.8 Ų | 138.8 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -136.1 | 114 | 162.8 | -74.8 | -169.8 | 167.7 | 173.8 | -4.8 | 110 | K466 H470 | K466-R468 PolarHBondContact O-N 2.96Å; R468-H470 PolarHBondContact O-N 3.44Å | ||
| 469 | K | 35.8 | Very low | 39.1 | Very low | 216 Ų | 216 | 143.9 Ų | 143.9 | 94% | 0.939 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 123.6 | 175.8 | -58.4 | 173.1 | -177.8 | 177.3 | 0 | 108.8 | ||
| 470 | H | 38.8 | Very low | 39.5 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 141.6 | 171.2 | -108.9 | -92.6 | 0 | 0 | 0 | 110.7 | R468 | R468-H470 PolarHBondContact O-N 3.44Š|
| 471 | P | 39.5 | Very low | 39.7 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 49% | 0.487 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -81.5 | 137.6 | -163.1 | 30.9 | -35.6 | 0 | 0 | 0 | 113.5 | A474 | P471-A474 HydrophobicContact CG-CB 4.23Š|
| 472 | V | 44.4 | Very low | 40.2 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -72.9 | -33.4 | 172.1 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | A474 K475 | V472-A474 VanDerWaalsContact C-N 3.3Å; V472-A474 PolarHBondContact O-N 3.33Å; V472-K475 PolarHBondContact O-N 3.23Å; V472-K475 VanDerWaalsContact O-N 3.14Å |
| 473 | E | 40.6 | Very low | 40.7 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -60.9 | -34.3 | -175.1 | -70 | 157.1 | 116.5 | 0 | 0 | 113.3 | K475 H476 Q477 | E473-K475 VanDerWaalsContact C-N 3.29Å; E473-K475 PolarHBondContact O-N 3.48Å; E473-H476 CarbonylContact O-C 3.57Å; E473-H476 WeakPolarHBondContact O-CA 3.42Å; E473-H476 WeakPolarHBondContact O-CB 3.17Å; E473-H476 PolarHBondContact O-N 2.94Å; E473-Q477 PolarHBondContact O-N 3.29Å |
| 474 | A | 38.8 | Very low | 41.2 | Very low | 33 Ų | 33 | 135.8 Ų | 135.8 | 27% | 0.273 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -56.9 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P471 V472 H476 Q477 W478 | P471-A474 HydrophobicContact CG-CB 4.23Å; V472-A474 VanDerWaalsContact C-N 3.3Å; V472-A474 PolarHBondContact O-N 3.33Å; A474-H476 PolarHBondContact O-N 3.16Å; A474-Q477 PolarHBondContact O-N 2.98Å; A474-W478 PolarHBondContact O-N 3.48Å |
| 475 | K | 45.3 | Very low | 41.6 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 73% | 0.73 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.7 | -24.5 | 175.9 | -76.6 | -174.4 | 174.2 | 180 | 0 | 113 | V472 E473 R479 | V472-K475 PolarHBondContact O-N 3.23Å; V472-K475 VanDerWaalsContact O-N 3.14Å; E473-K475 VanDerWaalsContact C-N 3.29Å; E473-K475 PolarHBondContact O-N 3.48Å; K475-R479 PolarHBondContact O-N 2.79Å |
| 476 | H | 45.3 | Very low | 42.1 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 52% | 0.523 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.8 | -38.8 | 174.2 | -121.7 | -86.2 | 0 | 0 | 0 | 111.9 | E473 A474 R479 L480 | E473-H476 CarbonylContact O-C 3.57Å; E473-H476 WeakPolarHBondContact O-CA 3.42Å; E473-H476 WeakPolarHBondContact O-CB 3.17Å; E473-H476 PolarHBondContact O-N 2.94Å; A474-H476 PolarHBondContact O-N 3.16Å; H476-R479 PolarHBondContact O-N 3.45Å; H476-L480 PolarHBondContact O-N 3.25Å |
| 477 | Q | 39.4 | Very low | 42.3 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.5 | -44.6 | 173.5 | -73.3 | -178.8 | -44.7 | 0 | 0 | 112.3 | E473 A474 R479 L480 Y481 | E473-Q477 PolarHBondContact O-N 3.29Å; A474-Q477 PolarHBondContact O-N 2.98Å; Q477-R479 PolarHBondContact O-N 3.42Å; Q477-L480 PolarHBondContact O-N 2.97Å; Q477-Y481 WeakPolarHBondContact O-CB 3.12Å; Q477-Y481 PolarHBondContact O-N 2.83Å |
| 478 | W | 40.9 | Very low | 42.8 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 63% | 0.629 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -41.1 | 175.5 | -72.5 | 113.5 | 0 | 0 | 0 | 112.3 | A474 Y481 D482 | A474-W478 PolarHBondContact O-N 3.48Å; W478-Y481 PolarHBondContact O-N 3.13Å; W478-D482 PolarHBondContact O-N 3.48Å |
| 479 | R | 45.6 | Very low | 42.7 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 67% | 0.672 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.1 | -42.7 | 173.5 | -83.6 | -177.3 | 170.6 | 176 | -3.3 | 113.1 | K475 H476 Q477 Y481 D482 Q483 | K475-R479 PolarHBondContact O-N 2.79Å; H476-R479 PolarHBondContact O-N 3.45Å; Q477-R479 PolarHBondContact O-N 3.42Å; R479-Y481 VanDerWaalsContact C-N 3.32Å; R479-D482 PolarHBondContact O-N 2.77Å; R479-Q483 VanDerWaalsContact O-CB 3.24Å; R479-Q483 WeakPolarHBondContact O-CB 3.39Å; R479-Q483 PolarHBondContact O-N 3Å |
| 480 | L | 46.8 | Very low | 43 | Very low | 90 Ų | 90 | 123.6 Ų | 123.6 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.7 | -38.2 | 174.8 | -81.3 | 164.1 | 0 | 0 | 0 | 111.7 | H476 Q477 Q483 L484 | H476-L480 PolarHBondContact O-N 3.25Å; Q477-L480 PolarHBondContact O-N 2.97Å; L480-Q483 PolarHBondContact O-N 2.6Å; L480-L484 WeakPolarHBondContact O-CB 3Å; L480-L484 WeakPolarHBondContact O-CD1 3.47Å; L480-L484 VanDerWaalsContact O-CG 3.27Å; L480-L484 WeakPolarHBondContact O-CG 3.47Å; L480-L484 PolarHBondContact O-N 3.44Å |
| 481 | Y | 40.2 | Very low | 42.9 | Very low | 96 Ų | 96 | 117.7 Ų | 117.7 | 38% | 0.376 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.6 | -44.2 | 176.3 | -171.9 | -94 | 0 | 0 | 0 | 112.2 | Q477 W478 R479 L484 K485 | Q477-Y481 WeakPolarHBondContact O-CB 3.12Å; Q477-Y481 PolarHBondContact O-N 2.83Å; W478-Y481 PolarHBondContact O-N 3.13Å; R479-Y481 VanDerWaalsContact C-N 3.32Å; Y481-L484 PolarHBondContact O-N 3.47Å; Y481-K485 HydrophobicContact CD1-CD 4.45Å; Y481-K485 HydrophobicContact CE1-CD 3.75Å; Y481-K485 HydrophobicContact CE1-CG 4.46Å; Y481-K485 PolarHBondContact O-N 2.75Å; Y481-K485 WeakPolarHBondContact OH-CE 3.26Å; Y481-K485 PolarHBondContact OH-NZ 2.87Å; Y481-K485 VanDerWaalsContact OH-NZ 3.09Å |
| 482 | D | 50.5 | Low | 43.2 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -39.3 | 173.1 | -75.2 | -28.5 | 0 | 0 | 0 | 112.1 | W478 R479 K485 L486 | W478-D482 PolarHBondContact O-N 3.48Å; R479-D482 PolarHBondContact O-N 2.77Å; D482-K485 PolarHBondContact O-N 3.39Å; D482-L486 WeakPolarHBondContact O-CB 3.31Å; D482-L486 WeakPolarHBondContact O-CG 3.46Å; D482-L486 PolarHBondContact O-N 3.16Å |
| 483 | Q | 48.3 | Very low | 43.6 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68 | -36.5 | 178.6 | -163 | 166.7 | 30.9 | 0 | 0 | 111.9 | R479 L480 L486 Q487 | R479-Q483 VanDerWaalsContact O-CB 3.24Å; R479-Q483 WeakPolarHBondContact O-CB 3.39Å; R479-Q483 PolarHBondContact O-N 3Å; L480-Q483 PolarHBondContact O-N 2.6Å; Q483-L486 PolarHBondContact O-N 2.83Å; Q483-Q487 PolarHBondContact O-N 2.81Å |
| 484 | L | 43 | Very low | 44.4 | Very low | 70 Ų | 70 | 115.2 Ų | 115.2 | 37% | 0.366 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 170.2 | -74.5 | 164.5 | 0 | 0 | 0 | 112 | L480 Y481 L486 Q487 Q488 L587 | L480-L484 WeakPolarHBondContact O-CB 3Å; L480-L484 WeakPolarHBondContact O-CD1 3.47Å; L480-L484 VanDerWaalsContact O-CG 3.27Å; L480-L484 WeakPolarHBondContact O-CG 3.47Å; L480-L484 PolarHBondContact O-N 3.44Å; Y481-L484 PolarHBondContact O-N 3.47Å; L484-L486 PolarHBondContact O-N 2.77Å; L484-Q487 PolarHBondContact O-N 3.1Å; L484-Q487 VanDerWaalsContact O-N 3.15Å; L484-Q488 PolarHBondContact O-N 2.93Å; L484-L587 HydrophobicContact CD2-CD2 3.83Å |
| 485 | K | 43.4 | Very low | 45.8 | Very low | 76 Ų | 76 | 114.8 Ų | 114.8 | 33% | 0.33 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.1 | -24.2 | 173.8 | -95 | -173.5 | 168.7 | 171.6 | 0 | 113.4 | Y481 D482 E557 | Y481-K485 HydrophobicContact CD1-CD 4.45Å; Y481-K485 HydrophobicContact CE1-CD 3.75Å; Y481-K485 HydrophobicContact CE1-CG 4.46Å; Y481-K485 PolarHBondContact O-N 2.75Å; Y481-K485 WeakPolarHBondContact OH-CE 3.26Å; Y481-K485 PolarHBondContact OH-NZ 2.87Å; Y481-K485 VanDerWaalsContact OH-NZ 3.09Å; D482-K485 PolarHBondContact O-N 3.39Å; K485-E557 WeakPolarHBondContact CE-OE1 3.33Å; K485-E557 IonicContact NZ-OE1 2.78Å; K485-E557 PolarHBondContact NZ-OE1 3.26Å |
| 486 | L | 47.6 | Very low | 47.2 | Very low | 115 Ų | 115 | 108.5 Ų | 108.5 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.4 | -38 | 169.4 | -83.6 | 160.9 | 0 | 0 | 0 | 112.4 | D482 Q483 L484 R489 | D482-L486 WeakPolarHBondContact O-CB 3.31Å; D482-L486 WeakPolarHBondContact O-CG 3.46Å; D482-L486 PolarHBondContact O-N 3.16Å; Q483-L486 PolarHBondContact O-N 2.83Å; L484-L486 PolarHBondContact O-N 2.77Å; L486-R489 PolarHBondContact O-N 2.66Å |
| 487 | Q | 43.2 | Very low | 48.7 | Very low | 150 Ų | 150 | 105.8 Ų | 105.8 | 70% | 0.701 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.2 | -33.2 | 173.5 | -79.7 | -173.5 | -28.7 | 0 | 0 | 113.3 | Q483 L484 R489 | Q483-Q487 PolarHBondContact O-N 2.81Å; L484-Q487 PolarHBondContact O-N 3.1Å; L484-Q487 VanDerWaalsContact O-N 3.15Å; Q487-R489 PolarHBondContact O-N 3.34Å |
| 488 | Q | 46 | Very low | 50.7 | Low | 102 Ų | 102 | 104.4 Ų | 104.4 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.4 | 178.4 | -72.1 | -176.4 | -31.7 | 0 | 0 | 114.6 | L484 Q490 | L484-Q488 PolarHBondContact O-N 2.93Å; Q488-Q490 VanDerWaalsContact C-N 3.32Å; Q488-Q490 PolarHBondContact O-N 2.74Å |
| 489 | R | 33.9 | Very low | 52.5 | Low | 193 Ų | 193 | 98.2 Ų | 98.2 | 73% | 0.728 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 67.6 | 179.7 | -81.3 | 178.8 | 160.6 | 170 | -4.2 | 113.3 | L486 Q487 | L486-R489 PolarHBondContact O-N 2.66Å; Q487-R489 PolarHBondContact O-N 3.34Å |
| 490 | Q | 41.6 | Very low | 54.3 | Low | 174 Ų | 174 | 89.8 Ų | 89.8 | 81% | 0.813 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | -23 | 163 | -79.1 | -63.6 | -74.1 | 0 | 0 | 114.3 | Q488 | Q488-Q490 VanDerWaalsContact C-N 3.32Å; Q488-Q490 PolarHBondContact O-N 2.74Å |
| 491 | L | 35.8 | Very low | 56.1 | Low | 50 Ų | 50 | 88.1 Ų | 88.1 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -105.3 | 143.6 | 172.6 | -72.2 | 99.8 | 0 | 0 | 0 | 112.1 | P493 A580 F581 Y585 | L491-P493 WeakPolarHBondContact O-CD 3.45Å; L491-A580 HydrophobicContact CD2-CB 4.31Å; L491-F581 HydrophobicContact CD2-CD1 3.98Å; L491-F581 HydrophobicContact CD2-CD2 4.17Å; L491-F581 HydrophobicContact CD2-CE1 3.56Å; L491-F581 HydrophobicContact CD2-CE2 3.76Å; L491-F581 HydrophobicContact CD2-CG 4.27Å; L491-F581 HydrophobicContact CD2-CZ 3.44Å; L491-F581 VanDerWaalsContact CD2-CZ 3.44Å; L491-Y585 HydrophobicContact CD1-CE2 4.15Å |
| 492 | N | 47.5 | Very low | 58.1 | Low | 113 Ų | 113 | 88.2 Ų | 88.2 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | trans | -72.3 | 114.3 | 173.3 | -171.1 | 17.5 | 0 | 0 | 0 | 108.6 | L494 A495 | N492-L494 VanDerWaalsContact C-N 3.25Å; N492-L494 PolarHBondContact O-N 2.87Å; N492-L494 VanDerWaalsContact O-N 3.1Å; N492-A495 VanDerWaalsContact O-CB 3.24Å; N492-A495 WeakPolarHBondContact O-CB 3.48Å; N492-A495 PolarHBondContact O-N 3.46Å | ||
| 493 | P | 51 | Low | 59.5 | Low | 81 Ų | 81 | 84.7 Ų | 84.7 | 53% | 0.526 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.7 | -163.1 | 21.6 | -33.4 | 0 | 0 | 0 | 114.2 | L491 A495 L560 | L491-P493 WeakPolarHBondContact O-CD 3.45Å; P493-A495 PolarHBondContact O-N 3.44Å; P493-L560 HydrophobicContact CB-CD1 3.96Å; P493-L560 WeakPolarHBondContact O-CD2 3.44Å |
| 494 | L | 59.4 | Low | 61.1 | Low | 98 Ų | 98 | 79 Ų | 79 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.6 | 176.1 | -66.8 | 171.5 | 0 | 0 | 0 | 113.1 | N492 L496 L497 E498 | N492-L494 VanDerWaalsContact C-N 3.25Å; N492-L494 PolarHBondContact O-N 2.87Å; N492-L494 VanDerWaalsContact O-N 3.1Å; L494-L496 PolarHBondContact O-N 2.84Å; L494-L496 VanDerWaalsContact O-N 3.11Å; L494-L497 PolarHBondContact O-N 3.03Å; L494-E498 PolarHBondContact O-N 3.14Å |
| 495 | A | 68.3 | Low | 63 | Low | 25 Ų | 25 | 80.3 Ų | 80.3 | 21% | 0.207 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.1 | -23.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N492 P493 N499 | N492-A495 VanDerWaalsContact O-CB 3.24Å; N492-A495 WeakPolarHBondContact O-CB 3.48Å; N492-A495 PolarHBondContact O-N 3.46Å; P493-A495 PolarHBondContact O-N 3.44Å; A495-N499 WeakPolarHBondContact O-CB 3.41Å; A495-N499 PolarHBondContact O-N 2.59Å; A495-N499 PolarHBondContact O-ND2 3.02Å |
| 496 | L | 73.3 | Confident | 64.7 | Low | 35 Ų | 35 | 83.1 Ų | 83.1 | 18% | 0.183 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.7 | -33.4 | 173.9 | -91.5 | 170 | 0 | 0 | 0 | 112.9 | L494 L500 L560 I567 F581 | L494-L496 PolarHBondContact O-N 2.84Å; L494-L496 VanDerWaalsContact O-N 3.11Å; L496-L500 WeakPolarHBondContact O-CB 3.28Å; L496-L500 PolarHBondContact O-N 3.21Å; L496-L560 HydrophobicContact CB-CD2 4.07Å; L496-I567 HydrophobicContact CD2-CD1 3.86Å; L496-F581 HydrophobicContact CD1-CE1 4.46Å; L496-F581 HydrophobicContact CD2-CE1 3.93Å; L496-F581 HydrophobicContact CD2-CZ 3.75Å; L496-F581 HydrophobicContact CG-CE1 4.17Å; L496-F581 HydrophobicContact CG-CZ 3.99Å |
| 497 | L | 77.9 | Confident | 66.1 | Low | 57 Ų | 57 | 80 Ų | 80 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74.5 | -39.6 | 175.6 | -128.1 | 82.5 | 0 | 0 | 0 | 110.8 | L494 N501 K559 L560 S563 | L494-L497 PolarHBondContact O-N 3.03Å; L497-N501 WeakPolarHBondContact O-CB 3.44Å; L497-N501 PolarHBondContact O-N 2.64Å; L497-N501 VanDerWaalsContact O-N 3.13Å; L497-K559 HydrophobicContact CD1-CB 4.17Å; L497-L560 HydrophobicContact CB-CD2 4.41Å; L497-L560 HydrophobicContact CD1-CD2 3.83Å; L497-S563 WeakPolarHBondContact CD1-OG 3.33Å |
| 498 | E | 80.6 | Confident | 67.8 | Low | 109 Ų | 109 | 74.6 Ų | 74.6 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.4 | -50.9 | 176.3 | -66.1 | 167.2 | 157.5 | 0 | 0 | 110.6 | L494 L500 N501 D502 | L494-E498 PolarHBondContact O-N 3.14Å; E498-L500 VanDerWaalsContact C-N 3.33Å; E498-L500 PolarHBondContact O-N 2.75Å; E498-N501 WeakPolarHBondContact O-CB 3.19Å; E498-N501 PolarHBondContact O-N 2.82Å; E498-D502 PolarHBondContact O-N 3.04Å |
| 499 | N | 79 | Confident | 69.2 | Low | 37 Ų | 37 | 70.4 Ų | 70.4 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 176.1 | -73.8 | -16.9 | 0 | 0 | 0 | 112.9 | A495 L503 L577 | A495-N499 WeakPolarHBondContact O-CB 3.41Å; A495-N499 PolarHBondContact O-N 2.59Å; A495-N499 PolarHBondContact O-ND2 3.02Å; N499-L503 VanDerWaalsContact O-CB 3.25Å; N499-L503 WeakPolarHBondContact O-CB 3.35Å; N499-L503 PolarHBondContact O-N 3.35Å; N499-L577 HydrophobicContact CB-CD1 4.39Å |
| 500 | L | 83 | Confident | 71.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.4 | 179.7 | 85.1 | 0 | 0 | 0 | 111 | L496 E498 C504 P512 C514 V537 A566 I567 | L496-L500 WeakPolarHBondContact O-CB 3.28Å; L496-L500 PolarHBondContact O-N 3.21Å; E498-L500 VanDerWaalsContact C-N 3.33Å; E498-L500 PolarHBondContact O-N 2.75Å; L500-C504 WeakPolarHBondContact O-CB 3.27Å; L500-C504 PolarHBondContact O-N 3.25Å; L500-C504 PolarHBondContact O-SG 3.14Å; L500-P512 HydrophobicContact CD2-CB 3.73Å; L500-P512 HydrophobicContact CD2-CG 3.65Å; L500-P512 HydrophobicContact CG-CB 4.26Å; L500-P512 HydrophobicContact CG-CG 3.93Å; L500-C514 VanDerWaalsContact CD2-SG 3.55Å; L500-V537 HydrophobicContact CD2-CG1 4.15Å; L500-V537 HydrophobicContact CD2-CG2 4.44Å; L500-A566 HydrophobicContact CD1-CB 3.68Å; L500-I567 HydrophobicContact CB-CD1 4.26Å; L500-I567 HydrophobicContact CB-CG1 4.34Å; L500-I567 HydrophobicContact CD1-CD1 4.48Å; L500-I567 HydrophobicContact CD1-CG1 3.71Å |
| 501 | N | 84.8 | Confident | 73.2 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 179.7 | -174.4 | 55 | 0 | 0 | 0 | 111.1 | L497 E498 L503 C504 L505 P512 | L497-N501 WeakPolarHBondContact O-CB 3.44Å; L497-N501 PolarHBondContact O-N 2.64Å; L497-N501 VanDerWaalsContact O-N 3.13Å; E498-N501 WeakPolarHBondContact O-CB 3.19Å; E498-N501 PolarHBondContact O-N 2.82Å; N501-L503 PolarHBondContact O-N 2.75Å; N501-C504 PolarHBondContact O-N 3.31Å; N501-L505 WeakPolarHBondContact O-CB 3.27Å; N501-L505 VanDerWaalsContact O-CG 3.24Å; N501-L505 WeakPolarHBondContact O-CG 3.28Å; N501-L505 PolarHBondContact O-N 2.96Å; N501-P512 HydrophobicContact CB-CG 4.42Å; N501-P512 WeakPolarHBondContact OD1-CD 3.35Å |
| 502 | D | 81.4 | Confident | 75.5 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 177.7 | -75.7 | -3.4 | 0 | 0 | 0 | 112.3 | E498 L505 R506 | E498-D502 PolarHBondContact O-N 3.04Å; D502-L505 PolarHBondContact O-N 2.85Å; D502-R506 WeakPolarHBondContact O-CB 3.5Å; D502-R506 PolarHBondContact O-N 3.23Å |
| 503 | L | 81.6 | Confident | 77.4 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 174.2 | -163 | 98.5 | 0 | 0 | 0 | 111 | N499 N501 L505 R506 D507 L570 L577 | N499-L503 VanDerWaalsContact O-CB 3.25Å; N499-L503 WeakPolarHBondContact O-CB 3.35Å; N499-L503 PolarHBondContact O-N 3.35Å; N501-L503 PolarHBondContact O-N 2.75Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 3.44Å; L503-R506 PolarHBondContact O-N 3.13Å; L503-D507 WeakPolarHBondContact O-CB 3.18Å; L503-D507 PolarHBondContact O-N 3.15Å; L503-L570 HydrophobicContact CD2-CD1 3.93Å; L503-L577 HydrophobicContact CD1-CD1 4.31Å |
| 504 | C | 81.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.7 | -27.6 | 178.8 | -65.4 | 0 | 0 | 0 | 0 | 113.5 | L500 N501 G508 L509 G510 P512 | L500-C504 WeakPolarHBondContact O-CB 3.27Å; L500-C504 PolarHBondContact O-N 3.25Å; L500-C504 PolarHBondContact O-SG 3.14Å; N501-C504 PolarHBondContact O-N 3.31Å; C504-G508 CarbonylContact O-C 3.5Å; C504-G508 PolarHBondContact O-N 3.35Å; C504-L509 HydrophobicContact CB-CB 4.21Å; C504-L509 WeakPolarHBondContact O-CA 3.24Å; C504-L509 PolarHBondContact O-N 2.84Å; C504-G510 WeakPolarHBondContact CB-O 3.12Å; C504-G510 PolarHBondContact O-N 2.9Å; C504-P512 HydrophobicContact CB-CG 4.37Å |
| 505 | L | 81.2 | Confident | 80.6 | Confident | 96 Ų | 96 | 49.9 Ų | 49.9 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76.6 | -47.3 | 173.5 | -73.6 | 168.9 | 0 | 0 | 0 | 111.3 | N501 D502 L503 D507 G508 | N501-L505 WeakPolarHBondContact O-CB 3.27Å; N501-L505 VanDerWaalsContact O-CG 3.24Å; N501-L505 WeakPolarHBondContact O-CG 3.28Å; N501-L505 PolarHBondContact O-N 2.96Å; D502-L505 PolarHBondContact O-N 2.85Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 3.44Å; L505-D507 PolarHBondContact O-N 2.91Å; L505-G508 PolarHBondContact O-N 2.8Å; L505-G508 VanDerWaalsContact O-N 3.13Å |
| 506 | R | 79.7 | Confident | 81.6 | Confident | 136 Ų | 136 | 50 Ų | 50 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 177.4 | -173.7 | -163.3 | 71.2 | -169.2 | -3.8 | 111.8 | D502 L503 G508 | D502-R506 WeakPolarHBondContact O-CB 3.5Å; D502-R506 PolarHBondContact O-N 3.23Å; L503-R506 PolarHBondContact O-N 3.13Å; R506-G508 PolarHBondContact O-N 2.84Å |
| 507 | D | 78.1 | Confident | 82.3 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 10 | -178 | -59.1 | -11.7 | 0 | 0 | 0 | 111.9 | L503 L505 L509 | L503-D507 WeakPolarHBondContact O-CB 3.18Å; L503-D507 PolarHBondContact O-N 3.15Å; L505-D507 PolarHBondContact O-N 2.91Å; D507-L509 HydrophobicContact CB-CD1 4.25Å; D507-L509 HydrophobicContact CB-CG 4.07Å; D507-L509 PolarHBondContact O-N 2.74Å |
| 508 | G | 77.1 | Confident | 82.7 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 10.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C504 L505 R506 G510 K541 | C504-G508 CarbonylContact O-C 3.5Å; C504-G508 PolarHBondContact O-N 3.35Å; L505-G508 PolarHBondContact O-N 2.8Å; L505-G508 VanDerWaalsContact O-N 3.13Å; R506-G508 PolarHBondContact O-N 2.84Å; G508-G510 VanDerWaalsContact C-N 3.27Å; G508-G510 PolarHBondContact O-N 3.12Å; G508-K541 VanDerWaalsContact O-CD 3.31Å; G508-K541 WeakPolarHBondContact O-CD 3.3Å; G508-K541 WeakPolarHBondContact O-CE 3.44Å; G508-K541 PolarHBondContact O-NZ 3.49Å |
| 509 | L | 76.2 | Confident | 82.9 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | trans | -71.6 | -16.8 | -173.7 | -51.7 | 178.1 | 0 | 0 | 0 | 113.8 | C504 D507 I539 K541 L542 L570 F572 | C504-L509 HydrophobicContact CB-CB 4.21Å; C504-L509 WeakPolarHBondContact O-CA 3.24Å; C504-L509 PolarHBondContact O-N 2.84Å; D507-L509 HydrophobicContact CB-CD1 4.25Å; D507-L509 HydrophobicContact CB-CG 4.07Å; D507-L509 PolarHBondContact O-N 2.74Å; L509-I539 HydrophobicContact CB-CG2 3.96Å; L509-K541 VanDerWaalsContact O-CB 3.3Å; L509-K541 WeakPolarHBondContact O-CB 3.39Å; L509-K541 VanDerWaalsContact O-CG 3.26Å; L509-K541 WeakPolarHBondContact O-CG 3.37Å; L509-L542 HydrophobicContact CD1-CD1 3.96Å; L509-L542 HydrophobicContact CD2-CD1 4.22Å; L509-L542 HydrophobicContact CD2-CD2 4.06Å; L509-L542 HydrophobicContact CD2-CG 4.07Å; L509-L570 HydrophobicContact CD1-CD2 4.26Å; L509-F572 HydrophobicContact CD1-CD2 4.17Å; L509-F572 HydrophobicContact CD1-CE2 3.91Å; L509-F572 HydrophobicContact CD1-CZ 4.48Å; L509-F572 HydrophobicContact CD2-CE2 4.04Å; L509-F572 HydrophobicContact CD2-CZ 3.86Å | ||
| 510 | G | 76.5 | Confident | 83 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | trans | 87.7 | 164.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C504 G508 | C504-G510 WeakPolarHBondContact CB-O 3.12Å; C504-G510 PolarHBondContact O-N 2.9Å; G508-G510 VanDerWaalsContact C-N 3.27Å; G508-G510 PolarHBondContact O-N 3.12Å | ||
| 511 | S | 82.3 | Confident | 82.7 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 53% | 0.531 | 31% | 0.311 | S | S | . | . | trans | -63.7 | 126.8 | -173.3 | 42.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 512 | P | 84.9 | Confident | 82.3 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -74.7 | 135.6 | 179.7 | 30 | -33.8 | 0 | 0 | 0 | 111 | L500 N501 C504 C514 V537 I539 | L500-P512 HydrophobicContact CD2-CB 3.73Å; L500-P512 HydrophobicContact CD2-CG 3.65Å; L500-P512 HydrophobicContact CG-CB 4.26Å; L500-P512 HydrophobicContact CG-CG 3.93Å; N501-P512 HydrophobicContact CB-CG 4.42Å; N501-P512 WeakPolarHBondContact OD1-CD 3.35Å; C504-P512 HydrophobicContact CB-CG 4.37Å; P512-C514 PolarHBondContact O-N 2.9Å; P512-V537 HydrophobicContact CB-CG1 4.08Å; P512-I539 HydrophobicContact CB-CG1 4.24Å | ||
| 513 | I | 87.9 | Confident | 81.7 | Confident | 98 Ų | 98 | 55.3 Ų | 55.3 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 95.7 | -179.3 | -57.2 | -177.1 | 0 | 0 | 0 | 109 | V537 Y538 P540 | I513-V537 WeakPolarHBondContact O-CA 3.48Å; I513-Y538 HydrophobicContact CD1-CD1 4.34Å; I513-Y538 PolarHBondContact N-O 3.04Å; I513-Y538 PolarHBondContact O-N 3.18Å; I513-Y538 VanDerWaalsContact O-N 3.09Å; I513-P540 HydrophobicContact CD1-CG 4.39Å |
| 514 | C | 87.8 | Confident | 81.1 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 110.9 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | L500 P512 V537 K559 | L500-C514 VanDerWaalsContact CD2-SG 3.55Å; P512-C514 PolarHBondContact O-N 2.9Å; C514-V537 HydrophobicContact CB-CG2 4.43Å; C514-K559 HydrophobicContact CB-CG 4.44Å; C514-K559 WeakPolarHBondContact O-CE 3.39Å; C514-K559 PolarHBondContact O-NZ 2.81Å |
| 515 | S | 89.1 | Confident | 80.3 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 169.7 | -178.8 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | Q536 | S515-Q536 PolarHBondContact N-O 3.46Å; S515-Q536 PolarHBondContact O-N 2.78Å; S515-Q536 PolarHBondContact OG-O 2.75Å |
| 516 | A | 89.3 | Confident | 79.9 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 127.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y533 V534 A558 K559 | A516-Y533 HydrophobicContact CB-CD1 4.22Å; A516-V534 CarbonylContact C-O 3.57Å; A516-V534 WeakPolarHBondContact CA-O 3.38Å; A516-A558 HydrophobicContact CB-CB 4.04Å; A516-K559 HydrophobicContact CB-CG 4.34Å |
| 517 | I | 88.3 | Confident | 79.5 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.8 | -178.2 | -56.7 | 173.5 | 0 | 0 | 0 | 107.7 | Y533 V534 | I517-Y533 WeakPolarHBondContact O-CA 3.44Å; I517-V534 PolarHBondContact N-O 2.6Å; I517-V534 PolarHBondContact O-N 2.72Å |
| 518 | P | 87.1 | Confident | 79.3 | Confident | 70 Ų | 70 | 65 Ų | 65 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.6 | 173.6 | 29.5 | -33.2 | 0 | 0 | 0 | 110.7 | Q531 L532 Y533 | P518-Q531 HydrophobicContact CB-CG 3.99Å; P518-L532 CarbonylContact C-O 3.58Å; P518-L532 WeakPolarHBondContact CA-O 3.47Å; P518-Y533 HydrophobicContact CB-CD1 4.22Å; P518-Y533 HydrophobicContact CB-CE1 3.95Å |
| 519 | V | 83.5 | Confident | 79.3 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 115.9 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | F521 L532 V534 Y551 | V519-F521 HydrophobicContact CB-CE2 3.91Å; V519-F521 HydrophobicContact CG1-CD2 4.21Å; V519-F521 HydrophobicContact CG1-CE2 3.51Å; V519-F521 HydrophobicContact CG1-CZ 3.78Å; V519-F521 WeakPolarHBondContact O-CD2 3.36Å; V519-F521 PolarHBondContact O-N 2.86Å; V519-L532 PolarHBondContact N-O 2.86Å; V519-L532 PolarHBondContact O-N 2.82Å; V519-V534 HydrophobicContact CG2-CG2 3.99Å; V519-Y551 HydrophobicContact CB-CE1 4.32Å; V519-Y551 HydrophobicContact CG1-CE1 4.25Å; V519-Y551 HydrophobicContact CG2-CE1 4.2Å |
| 520 | D | 82.2 | Confident | 79.3 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 113.9 | 177.7 | -82.8 | 12 | 0 | 0 | 0 | 110.5 | K529 Q531 | D520-K529 WeakPolarHBondContact OD2-CE 3.32Å; D520-K529 IonicContact OD2-NZ 2.68Å; D520-K529 PolarHBondContact OD2-NZ 2.98Å; D520-Q531 PolarHBondContact OD1-NE2 3.27Å |
| 521 | F | 75.8 | Confident | 79.6 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 32% | 0.32 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 158.2 | 165.7 | -65.7 | -91.9 | 0 | 0 | 0 | 110.4 | V519 K529 V530 L532 Y551 | V519-F521 HydrophobicContact CB-CE2 3.91Å; V519-F521 HydrophobicContact CG1-CD2 4.21Å; V519-F521 HydrophobicContact CG1-CE2 3.51Å; V519-F521 HydrophobicContact CG1-CZ 3.78Å; V519-F521 WeakPolarHBondContact O-CD2 3.36Å; V519-F521 PolarHBondContact O-N 2.86Å; F521-K529 CarbonylContact O-C 3.55Å; F521-K529 VanDerWaalsContact O-CA 3.29Å; F521-K529 WeakPolarHBondContact O-CA 3.32Å; F521-V530 WeakPolarHBondContact CB-O 3.4Å; F521-V530 PolarHBondContact N-O 3.19Å; F521-V530 PolarHBondContact O-N 2.83Å; F521-L532 HydrophobicContact CD2-CB 4.14Å; F521-L532 HydrophobicContact CD2-CD1 3.8Å; F521-L532 HydrophobicContact CD2-CG 3.94Å; F521-L532 HydrophobicContact CE2-CB 4.03Å; F521-L532 HydrophobicContact CE2-CD1 3.87Å; F521-L532 HydrophobicContact CE2-CG 4.21Å; F521-Y551 AromaticContact CE2-CD1 3.8Å; F521-Y551 HydrophobicContact CE2-CD1 3.8Å; F521-Y551 AromaticContact CE2-CE1 3.96Å; F521-Y551 HydrophobicContact CE2-CE1 3.96Å; F521-Y551 HydrophobicContact CE2-CG 4.18Å; F521-Y551 AromaticContact CZ-CD1 3.83Å; F521-Y551 HydrophobicContact CZ-CD1 3.83Å; F521-Y551 HydrophobicContact CZ-CD2 4.13Å; F521-Y551 AromaticContact CZ-CE1 3.61Å; F521-Y551 HydrophobicContact CZ-CE1 3.61Å; F521-Y551 AromaticContact CZ-CE2 3.93Å; F521-Y551 HydrophobicContact CZ-CE2 3.93Å; F521-Y551 HydrophobicContact CZ-CG 4.1Å; F521-Y551 AromaticContact CZ-CZ 3.68Å |
| 522 | I | 76.5 | Confident | 79.8 | Confident | 123 Ų | 123 | 73.7 Ų | 73.7 | 63% | 0.631 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.5 | 166.8 | -58.5 | 175 | 0 | 0 | 0 | 106.5 | S524 | I522-S524 PolarHBondContact O-N 3.45Å |
| 523 | D | 68.2 | Low | 79.8 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 24% | 0.235 | 42% | 0.424 | C | S | . | . | trans | -67.7 | 119.7 | 173.8 | 166.5 | 32.6 | 0 | 0 | 0 | 109.6 | N525 T526 G527 N528 V530 | D523-N525 PolarHBondContact O-N 3.24Å; D523-N525 VanDerWaalsContact O-N 3.16Å; D523-N525 WeakPolarHBondContact OD1-CB 3.33Å; D523-N525 PolarHBondContact OD1-N 2.92Å; D523-N525 PolarHBondContact OD1-ND2 2.87Å; D523-T526 PolarHBondContact O-N 3.32Å; D523-T526 VanDerWaalsContact OD2-CB 3.25Å; D523-T526 WeakPolarHBondContact OD2-CB 3.46Å; D523-T526 VanDerWaalsContact OD2-CG2 3.27Å; D523-T526 WeakPolarHBondContact OD2-CG2 3.31Å; D523-T526 PolarHBondContact OD2-N 2.69Å; D523-T526 PolarHBondContact OD2-OG1 2.8Å; D523-G527 VanDerWaalsContact O-CA 3.31Å; D523-G527 WeakPolarHBondContact O-CA 3.4Å; D523-G527 PolarHBondContact O-N 2.88Å; D523-N528 PolarHBondContact N-O 3.36Å; D523-V530 HydrophobicContact CB-CG2 4.18Å | ||
| 524 | S | 69.3 | Low | 79.8 | Confident | 116 Ų | 116 | 71.7 Ų | 71.7 | 81% | 0.811 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -17.7 | -179.8 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | I522 | I522-S524 PolarHBondContact O-N 3.45Š|
| 525 | N | 65.5 | Low | 79.9 | Confident | 143 Ų | 143 | 70.6 Ų | 70.6 | 77% | 0.765 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -37.9 | -177.8 | -54.9 | -78.2 | 0 | 0 | 0 | 113 | D523 | D523-N525 PolarHBondContact O-N 3.24Å; D523-N525 VanDerWaalsContact O-N 3.16Å; D523-N525 WeakPolarHBondContact OD1-CB 3.33Å; D523-N525 PolarHBondContact OD1-N 2.92Å; D523-N525 PolarHBondContact OD1-ND2 2.87Å |
| 526 | T | 73 | Confident | 80 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 53% | 0.534 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -13.1 | -177.6 | 65.6 | 0 | 0 | 0 | 0 | 114.7 | D523 N528 | D523-T526 PolarHBondContact O-N 3.32Å; D523-T526 VanDerWaalsContact OD2-CB 3.25Å; D523-T526 WeakPolarHBondContact OD2-CB 3.46Å; D523-T526 VanDerWaalsContact OD2-CG2 3.27Å; D523-T526 WeakPolarHBondContact OD2-CG2 3.31Å; D523-T526 PolarHBondContact OD2-N 2.69Å; D523-T526 PolarHBondContact OD2-OG1 2.8Å; T526-N528 VanDerWaalsContact CB-ND2 3.27Å; T526-N528 WeakPolarHBondContact CB-ND2 3.43Å; T526-N528 PolarHBondContact O-N 2.93Å; T526-N528 WeakPolarHBondContact OG1-CB 3.14Å; T526-N528 PolarHBondContact OG1-N 3.48Å; T526-N528 PolarHBondContact OG1-ND2 3.42Å |
| 527 | G | 71.6 | Confident | 80 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 58% | 0.577 | 38% | 0.38 | S | S | * | . | trans | 71.7 | -0.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D523 | D523-G527 VanDerWaalsContact O-CA 3.31Å; D523-G527 WeakPolarHBondContact O-CA 3.4Å; D523-G527 PolarHBondContact O-N 2.88Å | ||
| 528 | N | 72.7 | Confident | 80.1 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | trans | -72.6 | 145.2 | 179.8 | -69.2 | -53.7 | 0 | 0 | 0 | 111.3 | D523 T526 V530 | D523-N528 PolarHBondContact N-O 3.36Å; T526-N528 VanDerWaalsContact CB-ND2 3.27Å; T526-N528 WeakPolarHBondContact CB-ND2 3.43Å; T526-N528 PolarHBondContact O-N 2.93Å; T526-N528 WeakPolarHBondContact OG1-CB 3.14Å; T526-N528 PolarHBondContact OG1-N 3.48Å; T526-N528 PolarHBondContact OG1-ND2 3.42Å; N528-V530 PolarHBondContact O-N 3.39Å | ||
| 529 | K | 77.1 | Confident | 80 | Confident | 146 Ų | 146 | 65.2 Ų | 65.2 | 64% | 0.635 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 127.4 | 164.7 | -81.9 | -168.5 | 165.4 | -160.5 | 0 | 110.1 | D520 F521 | D520-K529 WeakPolarHBondContact OD2-CE 3.32Å; D520-K529 IonicContact OD2-NZ 2.68Å; D520-K529 PolarHBondContact OD2-NZ 2.98Å; F521-K529 CarbonylContact O-C 3.55Å; F521-K529 VanDerWaalsContact O-CA 3.29Å; F521-K529 WeakPolarHBondContact O-CA 3.32Å |
| 530 | V | 77.3 | Confident | 79.9 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 106.1 | 171.7 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | F521 D523 N528 L532 | F521-V530 WeakPolarHBondContact CB-O 3.4Å; F521-V530 PolarHBondContact N-O 3.19Å; F521-V530 PolarHBondContact O-N 2.83Å; D523-V530 HydrophobicContact CB-CG2 4.18Å; N528-V530 PolarHBondContact O-N 3.39Å; V530-L532 HydrophobicContact CG1-CD2 4.01Å; V530-L532 HydrophobicContact CG1-CG 4.28Å |
| 531 | Q | 82.6 | Confident | 79.7 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125 | 175.6 | -173.3 | 169.2 | 94.2 | 0 | 0 | 109.7 | P518 D520 Y533 | P518-Q531 HydrophobicContact CB-CG 3.99Å; D520-Q531 PolarHBondContact OD1-NE2 3.27Å; Q531-Y533 PolarHBondContact OE1-OH 3.15Å |
| 532 | L | 85.6 | Confident | 79.8 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 171.6 | 172.3 | -56.6 | 178.6 | 0 | 0 | 0 | 109.7 | P518 V519 F521 V530 Y551 Y552 L553 | P518-L532 CarbonylContact C-O 3.58Å; P518-L532 WeakPolarHBondContact CA-O 3.47Å; V519-L532 PolarHBondContact N-O 2.86Å; V519-L532 PolarHBondContact O-N 2.82Å; F521-L532 HydrophobicContact CD2-CB 4.14Å; F521-L532 HydrophobicContact CD2-CD1 3.8Å; F521-L532 HydrophobicContact CD2-CG 3.94Å; F521-L532 HydrophobicContact CE2-CB 4.03Å; F521-L532 HydrophobicContact CE2-CD1 3.87Å; F521-L532 HydrophobicContact CE2-CG 4.21Å; V530-L532 HydrophobicContact CG1-CD2 4.01Å; V530-L532 HydrophobicContact CG1-CG 4.28Å; L532-Y551 HydrophobicContact CD1-CG 4.44Å; L532-Y552 CarbonylContact C-O 3.58Å; L532-Y552 WeakPolarHBondContact CA-O 3.44Å; L532-L553 HydrophobicContact CD2-CD1 3.85Å |
| 533 | Y | 85.8 | Confident | 80 | Confident | 55 Ų | 55 | 71 Ų | 71 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.7 | -176.1 | -63.7 | -90.1 | 0 | 0 | 0 | 112 | A516 I517 P518 Q531 Y551 Y552 | A516-Y533 HydrophobicContact CB-CD1 4.22Å; I517-Y533 WeakPolarHBondContact O-CA 3.44Å; P518-Y533 HydrophobicContact CB-CD1 4.22Å; P518-Y533 HydrophobicContact CB-CE1 3.95Å; Q531-Y533 PolarHBondContact OE1-OH 3.15Å; Y533-Y551 WeakPolarHBondContact O-CA 3.5Å; Y533-Y552 PolarHBondContact N-O 3.23Å; Y533-Y552 PolarHBondContact O-N 2.79Å |
| 534 | V | 88.3 | Confident | 80.8 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 13% | 0.127 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.8 | 165.5 | 177.7 | 0 | 0 | 0 | 0 | 108 | A516 I517 V519 N547 Y551 | A516-V534 CarbonylContact C-O 3.57Å; A516-V534 WeakPolarHBondContact CA-O 3.38Å; I517-V534 PolarHBondContact N-O 2.6Å; I517-V534 PolarHBondContact O-N 2.72Å; V519-V534 HydrophobicContact CG2-CG2 3.99Å; V534-N547 HydrophobicContact CG1-CB 4.37Å; V534-Y551 HydrophobicContact CG2-CD1 3.42Å; V534-Y551 VanDerWaalsContact CG2-CD1 3.42Å; V534-Y551 HydrophobicContact CG2-CE1 3.33Å |
| 535 | G | 88.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 149.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | N547 T548 A558 | G535-N547 CarbonylContact O-C 3.52Å; G535-N547 VanDerWaalsContact O-CA 3.25Å; G535-N547 WeakPolarHBondContact O-CA 3.47Å; G535-T548 PolarHBondContact N-OG1 2.58Å; G535-T548 PolarHBondContact O-N 3.44Å; G535-A558 WeakPolarHBondContact CA-O 3.27Å |
| 536 | Q | 91.2 | Very high | 82.5 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 10% | 0.098 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 136.9 | 174.1 | 169.6 | 171.8 | 106.1 | 0 | 0 | 111 | S515 R545 C546 N547 | S515-Q536 PolarHBondContact N-O 3.46Å; S515-Q536 PolarHBondContact O-N 2.78Å; S515-Q536 PolarHBondContact OG-O 2.75Å; Q536-R545 VanDerWaalsContact CD-NE 3.27Å; Q536-R545 HydrophobicContact CG-CG 4.34Å; Q536-R545 VanDerWaalsContact OE1-NE 3.14Å; Q536-C546 VanDerWaalsContact CA-O 3.29Å; Q536-C546 WeakPolarHBondContact CA-O 3.12Å; Q536-N547 PolarHBondContact NE2-OD1 2.93Å |
| 537 | V | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.8 | 167.2 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | L500 P512 I513 C514 I539 R545 C546 A562 A566 | L500-V537 HydrophobicContact CD2-CG1 4.15Å; L500-V537 HydrophobicContact CD2-CG2 4.44Å; P512-V537 HydrophobicContact CB-CG1 4.08Å; I513-V537 WeakPolarHBondContact O-CA 3.48Å; C514-V537 HydrophobicContact CB-CG2 4.43Å; V537-I539 HydrophobicContact CG1-CG1 4.13Å; V537-R545 VanDerWaalsContact O-CA 3.32Å; V537-R545 WeakPolarHBondContact O-CA 3.34Å; V537-C546 PolarHBondContact N-O 2.84Å; V537-C546 PolarHBondContact O-N 2.61Å; V537-C546 VanDerWaalsContact O-N 3.08Å; V537-A562 HydrophobicContact CG2-CB 3.73Å; V537-A562 WeakPolarHBondContact CG2-O 3.43Å; V537-A566 HydrophobicContact CB-CB 4.15Å; V537-A566 HydrophobicContact CG1-CB 4.13Å; V537-A566 HydrophobicContact CG2-CB 4.2Å |
| 538 | Y | 89.9 | Confident | 84 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 30% | 0.302 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.8 | 167.6 | 175 | -113.6 | 0 | 0 | 0 | 110.4 | I513 P540 F544 R545 | I513-Y538 HydrophobicContact CD1-CD1 4.34Å; I513-Y538 PolarHBondContact N-O 3.04Å; I513-Y538 PolarHBondContact O-N 3.18Å; I513-Y538 VanDerWaalsContact O-N 3.09Å; Y538-P540 HydrophobicContact CD1-CG 4.17Å; Y538-P540 HydrophobicContact CE1-CB 4.08Å; Y538-P540 HydrophobicContact CE1-CG 3.94Å; Y538-F544 WeakPolarHBondContact CA-O 3.22Å; Y538-F544 WeakPolarHBondContact CD2-O 3Å; Y538-R545 HydrophobicContact CD2-CB 4.2Å; Y538-R545 HydrophobicContact CD2-CG 4.32Å |
| 539 | I | 86.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 103.7 | 179.6 | -55.8 | 176.1 | 0 | 0 | 0 | 108.2 | L509 P512 V537 K541 L542 Q543 F544 L570 | L509-I539 HydrophobicContact CB-CG2 3.96Å; P512-I539 HydrophobicContact CB-CG1 4.24Å; V537-I539 HydrophobicContact CG1-CG1 4.13Å; I539-K541 PolarHBondContact O-N 3.03Å; I539-L542 HydrophobicContact CD1-CD1 4.49Å; I539-L542 HydrophobicContact CG2-CB 4.39Å; I539-L542 HydrophobicContact CG2-CD1 4.1Å; I539-L542 HydrophobicContact CG2-CG 4.27Å; I539-L542 PolarHBondContact O-N 2.78Å; I539-Q543 PolarHBondContact O-N 2.93Å; I539-F544 HydrophobicContact CB-CB 4.46Å; I539-F544 HydrophobicContact CD1-CD1 4.03Å; I539-F544 HydrophobicContact CG1-CD1 4.41Å; I539-F544 PolarHBondContact N-O 3.2Å; I539-L570 HydrophobicContact CD1-CD1 3.98Å; I539-L570 HydrophobicContact CD1-CD2 3.89Å; I539-L570 HydrophobicContact CD1-CG 4.25Å |
| 540 | P | 79.7 | Confident | 84.5 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 35% | 0.351 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -57.2 | -42.9 | -163.8 | -29.6 | 35.8 | 0 | 0 | 0 | 116 | I513 Y538 Q543 | I513-P540 HydrophobicContact CD1-CG 4.39Å; Y538-P540 HydrophobicContact CD1-CG 4.17Å; Y538-P540 HydrophobicContact CE1-CB 4.08Å; Y538-P540 HydrophobicContact CE1-CG 3.94Å; P540-Q543 PolarHBondContact O-N 2.93Å |
| 541 | K | 78.8 | Confident | 84.8 | Confident | 155 Ų | 155 | 70.1 Ų | 70.1 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -74.8 | -24.6 | -176.4 | -65.6 | -172.1 | -173.6 | 178.8 | 0 | 114.4 | G508 L509 I539 | G508-K541 VanDerWaalsContact O-CD 3.31Å; G508-K541 WeakPolarHBondContact O-CD 3.3Å; G508-K541 WeakPolarHBondContact O-CE 3.44Å; G508-K541 PolarHBondContact O-NZ 3.49Å; L509-K541 VanDerWaalsContact O-CB 3.3Å; L509-K541 WeakPolarHBondContact O-CB 3.39Å; L509-K541 VanDerWaalsContact O-CG 3.26Å; L509-K541 WeakPolarHBondContact O-CG 3.37Å; I539-K541 PolarHBondContact O-N 3.03Å |
| 542 | L | 78.6 | Confident | 84.9 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 36% | 0.356 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -87.3 | -11.7 | 175.3 | -67.9 | 176.9 | 0 | 0 | 0 | 112.6 | L509 I539 F544 L570 F572 | L509-L542 HydrophobicContact CD1-CD1 3.96Å; L509-L542 HydrophobicContact CD2-CD1 4.22Å; L509-L542 HydrophobicContact CD2-CD2 4.06Å; L509-L542 HydrophobicContact CD2-CG 4.07Å; I539-L542 HydrophobicContact CD1-CD1 4.49Å; I539-L542 HydrophobicContact CG2-CB 4.39Å; I539-L542 HydrophobicContact CG2-CD1 4.1Å; I539-L542 HydrophobicContact CG2-CG 4.27Å; I539-L542 PolarHBondContact O-N 2.78Å; L542-F544 HydrophobicContact CB-CB 3.74Å; L542-F544 HydrophobicContact CD1-CB 4.37Å; L542-F544 PolarHBondContact O-N 3.11Å; L542-L570 HydrophobicContact CD1-CD2 3.35Å; L542-F572 HydrophobicContact CD1-CE2 4.12Å; L542-F572 HydrophobicContact CD2-CE2 4.3Å; L542-F572 HydrophobicContact CD2-CZ 4.42Å |
| 543 | Q | 80.8 | Confident | 84.6 | Confident | 160 Ų | 160 | 72 Ų | 72 | 75% | 0.748 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 13.7 | -160.1 | -58.7 | -172.4 | -12.1 | 0 | 0 | 113.8 | I539 P540 | I539-Q543 PolarHBondContact O-N 2.93Å; P540-Q543 PolarHBondContact O-N 2.93Å |
| 544 | F | 83.2 | Confident | 84.5 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 134.4 | -176.1 | 178 | -95 | 0 | 0 | 0 | 110.5 | Y538 I539 L542 C546 A566 | Y538-F544 WeakPolarHBondContact CA-O 3.22Å; Y538-F544 WeakPolarHBondContact CD2-O 3Å; I539-F544 HydrophobicContact CB-CB 4.46Å; I539-F544 HydrophobicContact CD1-CD1 4.03Å; I539-F544 HydrophobicContact CG1-CD1 4.41Å; I539-F544 PolarHBondContact N-O 3.2Å; L542-F544 HydrophobicContact CB-CB 3.74Å; L542-F544 HydrophobicContact CD1-CB 4.37Å; L542-F544 PolarHBondContact O-N 3.11Å; F544-C546 HydrophobicContact CE1-CB 3.79Å; F544-C546 HydrophobicContact CZ-CB 3.78Å; F544-A566 HydrophobicContact CE1-CB 4.4Å |
| 545 | R | 86.6 | Confident | 84.4 | Confident | 157 Ų | 157 | 73.4 Ų | 73.4 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 125.9 | 179.5 | -160.8 | 178.1 | -161.4 | 165.2 | 4.7 | 110 | Q536 V537 Y538 | Q536-R545 VanDerWaalsContact CD-NE 3.27Å; Q536-R545 HydrophobicContact CG-CG 4.34Å; Q536-R545 VanDerWaalsContact OE1-NE 3.14Å; V537-R545 VanDerWaalsContact O-CA 3.32Å; V537-R545 WeakPolarHBondContact O-CA 3.34Å; Y538-R545 HydrophobicContact CD2-CB 4.2Å; Y538-R545 HydrophobicContact CD2-CG 4.32Å |
| 546 | C | 85.7 | Confident | 84.2 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 9% | 0.088 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.7 | 173 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | Q536 V537 F544 I565 | Q536-C546 VanDerWaalsContact CA-O 3.29Å; Q536-C546 WeakPolarHBondContact CA-O 3.12Å; V537-C546 PolarHBondContact N-O 2.84Å; V537-C546 PolarHBondContact O-N 2.61Å; V537-C546 VanDerWaalsContact O-N 3.08Å; F544-C546 HydrophobicContact CE1-CB 3.79Å; F544-C546 HydrophobicContact CZ-CB 3.78Å; C546-I565 HydrophobicContact CB-CG2 3.96Å |
| 547 | N | 88.1 | Confident | 83.8 | Confident | 87 Ų | 87 | 78.5 Ų | 78.5 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 153.6 | 175.7 | -60.4 | -15.7 | 0 | 0 | 0 | 109 | V534 G535 Q536 | V534-N547 HydrophobicContact CG1-CB 4.37Å; G535-N547 CarbonylContact O-C 3.52Å; G535-N547 VanDerWaalsContact O-CA 3.25Å; G535-N547 WeakPolarHBondContact O-CA 3.47Å; Q536-N547 PolarHBondContact NE2-OD1 2.93Å |
| 548 | T | 86.1 | Confident | 83.6 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | trans | -74.2 | 133.9 | 173.3 | 60.4 | 0 | 0 | 0 | 0 | 112 | G535 R550 Y552 A562 I565 | G535-T548 PolarHBondContact N-OG1 2.58Å; G535-T548 PolarHBondContact O-N 3.44Å; T548-R550 WeakPolarHBondContact CB-O 3.16Å; T548-R550 PolarHBondContact O-N 2.84Å; T548-R550 PolarHBondContact OG1-O 2.89Å; T548-Y552 HydrophobicContact CG2-CE2 3.75Å; T548-A562 HydrophobicContact CG2-CB 3.84Å; T548-A562 VanDerWaalsContact CG2-N 3.32Å; T548-I565 HydrophobicContact CG2-CD1 4.14Å | ||
| 549 | S | 79.9 | Confident | 83.6 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 80% | 0.797 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -75.4 | -7.9 | 172 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 550 | R | 81.8 | Confident | 83.6 | Confident | 172 Ų | 172 | 79.7 Ų | 79.7 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -116.5 | 153.1 | 175.7 | -63.1 | -174.4 | -178.5 | -136.9 | 1.1 | 111 | T548 Y552 | T548-R550 WeakPolarHBondContact CB-O 3.16Å; T548-R550 PolarHBondContact O-N 2.84Å; T548-R550 PolarHBondContact OG1-O 2.89Å; R550-Y552 HydrophobicContact CB-CE2 4.2Å; R550-Y552 WeakPolarHBondContact O-CD2 3.45Å; R550-Y552 WeakPolarHBondContact O-CE2 3.38Å |
| 551 | Y | 83.8 | Confident | 83.7 | Confident | 127 Ų | 127 | 77.4 Ų | 77.4 | 50% | 0.498 | 38% | 0.376 | S | S | . | . | trans | -92.4 | 140.8 | 170.1 | -58.9 | -82.9 | 0 | 0 | 0 | 110.1 | V519 F521 L532 Y533 V534 | V519-Y551 HydrophobicContact CB-CE1 4.32Å; V519-Y551 HydrophobicContact CG1-CE1 4.25Å; V519-Y551 HydrophobicContact CG2-CE1 4.2Å; F521-Y551 AromaticContact CE2-CD1 3.8Å; F521-Y551 HydrophobicContact CE2-CD1 3.8Å; F521-Y551 AromaticContact CE2-CE1 3.96Å; F521-Y551 HydrophobicContact CE2-CE1 3.96Å; F521-Y551 HydrophobicContact CE2-CG 4.18Å; F521-Y551 AromaticContact CZ-CD1 3.83Å; F521-Y551 HydrophobicContact CZ-CD1 3.83Å; F521-Y551 HydrophobicContact CZ-CD2 4.13Å; F521-Y551 AromaticContact CZ-CE1 3.61Å; F521-Y551 HydrophobicContact CZ-CE1 3.61Å; F521-Y551 AromaticContact CZ-CE2 3.93Å; F521-Y551 HydrophobicContact CZ-CE2 3.93Å; F521-Y551 HydrophobicContact CZ-CG 4.1Å; F521-Y551 AromaticContact CZ-CZ 3.68Å; L532-Y551 HydrophobicContact CD1-CG 4.44Å; Y533-Y551 WeakPolarHBondContact O-CA 3.5Å; V534-Y551 HydrophobicContact CG2-CD1 3.42Å; V534-Y551 VanDerWaalsContact CG2-CD1 3.42Å; V534-Y551 HydrophobicContact CG2-CE1 3.33Å | ||
| 552 | Y | 85 | Confident | 84.2 | Confident | 59 Ų | 59 | 70 Ų | 70 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -118.2 | 154.5 | -178.9 | -62.3 | -97.3 | 0 | 0 | 0 | 111.4 | L532 Y533 T548 R550 T554 E557 A558 | L532-Y552 CarbonylContact C-O 3.58Å; L532-Y552 WeakPolarHBondContact CA-O 3.44Å; Y533-Y552 PolarHBondContact N-O 3.23Å; Y533-Y552 PolarHBondContact O-N 2.79Å; T548-Y552 HydrophobicContact CG2-CE2 3.75Å; R550-Y552 HydrophobicContact CB-CE2 4.2Å; R550-Y552 WeakPolarHBondContact O-CD2 3.45Å; R550-Y552 WeakPolarHBondContact O-CE2 3.38Å; Y552-T554 VanDerWaalsContact C-N 3.35Å; Y552-E557 HydrophobicContact CD1-CB 3.7Å; Y552-E557 HydrophobicContact CG-CB 4.18Å; Y552-A558 HydrophobicContact CD2-CB 4.03Å; Y552-A558 HydrophobicContact CG-CB 4.26Å |
| 553 | L | 78.9 | Confident | 84.6 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 56% | 0.56 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -77.8 | -23 | -179.2 | -164 | 66.2 | 0 | 0 | 0 | 112.3 | L532 | L532-L553 HydrophobicContact CD2-CD1 3.85Š|
| 554 | T | 83.6 | Confident | 84.8 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -127.3 | 151.1 | 177.2 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | Y552 T556 E557 A558 | Y552-T554 VanDerWaalsContact C-N 3.35Å; T554-T556 PolarHBondContact O-N 2.96Å; T554-E557 WeakPolarHBondContact CB-OE2 3.39Å; T554-E557 PolarHBondContact N-OE2 2.98Å; T554-E557 PolarHBondContact O-N 3.26Å; T554-E557 WeakPolarHBondContact OG1-CB 3.31Å; T554-E557 WeakPolarHBondContact OG1-CG 3.27Å; T554-E557 PolarHBondContact OG1-N 2.94Å; T554-E557 PolarHBondContact OG1-OE2 2.84Å; T554-A558 PolarHBondContact O-N 3.4Å; T554-A558 VanDerWaalsContact O-N 3.1Å |
| 555 | S | 86.3 | Confident | 84.8 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.4 | -25.8 | 175.3 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | K559 | S555-K559 WeakPolarHBondContact O-CG 3.26Å; S555-K559 PolarHBondContact O-N 3.25Å |
| 556 | T | 84.7 | Confident | 84.7 | Confident | 82 Ų | 82 | 55.1 Ų | 55.1 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.5 | -49.7 | 174.9 | -45.6 | 0 | 0 | 0 | 0 | 111.4 | T554 A558 K559 L560 | T554-T556 PolarHBondContact O-N 2.96Å; T556-A558 VanDerWaalsContact C-N 3.26Å; T556-A558 PolarHBondContact O-N 3.43Å; T556-K559 PolarHBondContact O-N 2.85Å; T556-L560 HydrophobicContact CG2-CD1 4.38Å; T556-L560 WeakPolarHBondContact O-CG 3.37Å; T556-L560 PolarHBondContact O-N 3.32Å |
| 557 | E | 81.9 | Confident | 84.6 | Confident | 46 Ų | 46 | 56.9 Ų | 56.9 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 175.7 | -68.4 | 162.8 | 139.5 | 0 | 0 | 111.3 | K485 Y552 T554 L560 G561 | K485-E557 WeakPolarHBondContact CE-OE1 3.33Å; K485-E557 IonicContact NZ-OE1 2.78Å; K485-E557 PolarHBondContact NZ-OE1 3.26Å; Y552-E557 HydrophobicContact CD1-CB 3.7Å; Y552-E557 HydrophobicContact CG-CB 4.18Å; T554-E557 WeakPolarHBondContact CB-OE2 3.39Å; T554-E557 PolarHBondContact N-OE2 2.98Å; T554-E557 PolarHBondContact O-N 3.26Å; T554-E557 WeakPolarHBondContact OG1-CB 3.31Å; T554-E557 WeakPolarHBondContact OG1-CG 3.27Å; T554-E557 PolarHBondContact OG1-N 2.94Å; T554-E557 PolarHBondContact OG1-OE2 2.84Å; E557-L560 PolarHBondContact O-N 3.37Å; E557-G561 PolarHBondContact O-N 2.99Å |
| 558 | A | 86 | Confident | 84.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A516 G535 Y552 T554 T556 L560 G561 A562 | A516-A558 HydrophobicContact CB-CB 4.04Å; G535-A558 WeakPolarHBondContact CA-O 3.27Å; Y552-A558 HydrophobicContact CD2-CB 4.03Å; Y552-A558 HydrophobicContact CG-CB 4.26Å; T554-A558 PolarHBondContact O-N 3.4Å; T554-A558 VanDerWaalsContact O-N 3.1Å; T556-A558 VanDerWaalsContact C-N 3.26Å; T556-A558 PolarHBondContact O-N 3.43Å; A558-L560 VanDerWaalsContact C-N 3.3Å; A558-L560 PolarHBondContact O-N 2.71Å; A558-G561 PolarHBondContact O-N 3.29Å; A558-A562 WeakPolarHBondContact O-CB 3.36Å; A558-A562 PolarHBondContact O-N 3.11Å |
| 559 | K | 89.1 | Confident | 84 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 176.9 | -76.9 | 176.1 | 177.3 | -164.9 | 0 | 112.6 | L497 C514 A516 S555 T556 A562 S563 | L497-K559 HydrophobicContact CD1-CB 4.17Å; C514-K559 HydrophobicContact CB-CG 4.44Å; C514-K559 WeakPolarHBondContact O-CE 3.39Å; C514-K559 PolarHBondContact O-NZ 2.81Å; A516-K559 HydrophobicContact CB-CG 4.34Å; S555-K559 WeakPolarHBondContact O-CG 3.26Å; S555-K559 PolarHBondContact O-N 3.25Å; T556-K559 PolarHBondContact O-N 2.85Å; K559-A562 PolarHBondContact O-N 3.28Å; K559-S563 WeakPolarHBondContact O-CB 3.47Å; K559-S563 PolarHBondContact O-N 3.42Å; K559-S563 PolarHBondContact O-OG 2.97Å |
| 560 | L | 86.5 | Confident | 83.7 | Confident | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -48.1 | 178.1 | -69.3 | 172.3 | 0 | 0 | 0 | 111.7 | P493 L496 L497 T556 E557 A558 A562 S563 E564 | P493-L560 HydrophobicContact CB-CD1 3.96Å; P493-L560 WeakPolarHBondContact O-CD2 3.44Å; L496-L560 HydrophobicContact CB-CD2 4.07Å; L497-L560 HydrophobicContact CB-CD2 4.41Å; L497-L560 HydrophobicContact CD1-CD2 3.83Å; T556-L560 HydrophobicContact CG2-CD1 4.38Å; T556-L560 WeakPolarHBondContact O-CG 3.37Å; T556-L560 PolarHBondContact O-N 3.32Å; E557-L560 PolarHBondContact O-N 3.37Å; A558-L560 VanDerWaalsContact C-N 3.3Å; A558-L560 PolarHBondContact O-N 2.71Å; L560-A562 VanDerWaalsContact C-N 3.27Å; L560-A562 PolarHBondContact O-N 3.11Å; L560-S563 PolarHBondContact O-N 3.34Å; L560-S563 VanDerWaalsContact O-N 3.1Å; L560-E564 PolarHBondContact O-N 3.31Å |
| 561 | G | 83.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -33.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | E557 A558 I565 | E557-G561 PolarHBondContact O-N 2.99Å; A558-G561 PolarHBondContact O-N 3.29Å; G561-I565 VanDerWaalsContact O-CG1 3.32Å; G561-I565 WeakPolarHBondContact O-CG1 3.3Å; G561-I565 PolarHBondContact O-N 2.84Å; G561-I565 VanDerWaalsContact O-N 3.13Å |
| 562 | A | 87.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V537 T548 A558 K559 L560 I565 A566 | V537-A562 HydrophobicContact CG2-CB 3.73Å; V537-A562 WeakPolarHBondContact CG2-O 3.43Å; T548-A562 HydrophobicContact CG2-CB 3.84Å; T548-A562 VanDerWaalsContact CG2-N 3.32Å; A558-A562 WeakPolarHBondContact O-CB 3.36Å; A558-A562 PolarHBondContact O-N 3.11Å; K559-A562 PolarHBondContact O-N 3.28Å; L560-A562 VanDerWaalsContact C-N 3.27Å; L560-A562 PolarHBondContact O-N 3.11Å; A562-I565 PolarHBondContact O-N 3.31Å; A562-A566 WeakPolarHBondContact O-CB 3.37Å; A562-A566 PolarHBondContact O-N 3.46Å |
| 563 | S | 86.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70 | -38.3 | 176.5 | -56 | 0 | 0 | 0 | 0 | 111.7 | L497 K559 L560 A566 I567 | L497-S563 WeakPolarHBondContact CD1-OG 3.33Å; K559-S563 WeakPolarHBondContact O-CB 3.47Å; K559-S563 PolarHBondContact O-N 3.42Å; K559-S563 PolarHBondContact O-OG 2.97Å; L560-S563 PolarHBondContact O-N 3.34Å; L560-S563 VanDerWaalsContact O-N 3.1Å; S563-A566 PolarHBondContact O-N 2.87Å; S563-I567 WeakPolarHBondContact O-CG1 3.45Å; S563-I567 PolarHBondContact O-N 3.19Å |
| 564 | E | 84.8 | Confident | 76.7 | Confident | 88 Ų | 88 | 53.8 Ų | 53.8 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 171.5 | -173 | -172.9 | 167 | 0 | 0 | 111.3 | L560 A566 I567 Q568 | L560-E564 PolarHBondContact O-N 3.31Å; E564-A566 VanDerWaalsContact C-N 3.31Å; E564-A566 PolarHBondContact O-N 2.9Å; E564-I567 PolarHBondContact O-N 3.49Å; E564-Q568 WeakPolarHBondContact O-CG 3.28Å; E564-Q568 PolarHBondContact O-N 3.01Å; E564-Q568 PolarHBondContact OE1-NE2 2.86Å |
| 565 | I | 83.5 | Confident | 74.3 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 176.3 | -67.8 | 167.2 | 0 | 0 | 0 | 111.3 | C546 T548 G561 A562 Q568 S569 | C546-I565 HydrophobicContact CB-CG2 3.96Å; T548-I565 HydrophobicContact CG2-CD1 4.14Å; G561-I565 VanDerWaalsContact O-CG1 3.32Å; G561-I565 WeakPolarHBondContact O-CG1 3.3Å; G561-I565 PolarHBondContact O-N 2.84Å; G561-I565 VanDerWaalsContact O-N 3.13Å; A562-I565 PolarHBondContact O-N 3.31Å; I565-Q568 PolarHBondContact O-N 3.49Å; I565-S569 VanDerWaalsContact O-CB 3.27Å; I565-S569 WeakPolarHBondContact O-CB 3.49Å; I565-S569 PolarHBondContact O-N 3.49Å; I565-S569 PolarHBondContact O-OG 2.72Å |
| 566 | A | 85.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L500 V537 F544 A562 S563 E564 Q568 S569 L570 | L500-A566 HydrophobicContact CD1-CB 3.68Å; V537-A566 HydrophobicContact CB-CB 4.15Å; V537-A566 HydrophobicContact CG1-CB 4.13Å; V537-A566 HydrophobicContact CG2-CB 4.2Å; F544-A566 HydrophobicContact CE1-CB 4.4Å; A562-A566 WeakPolarHBondContact O-CB 3.37Å; A562-A566 PolarHBondContact O-N 3.46Å; S563-A566 PolarHBondContact O-N 2.87Å; E564-A566 VanDerWaalsContact C-N 3.31Å; E564-A566 PolarHBondContact O-N 2.9Å; A566-Q568 VanDerWaalsContact C-N 3.31Å; A566-Q568 PolarHBondContact O-N 2.73Å; A566-S569 PolarHBondContact O-N 3.34Å; A566-S569 VanDerWaalsContact O-N 3.16Å; A566-L570 VanDerWaalsContact O-CG 3.31Å; A566-L570 WeakPolarHBondContact O-CG 3.16Å; A566-L570 PolarHBondContact O-N 3.29Å; A566-L570 VanDerWaalsContact O-N 3.11Å |
| 567 | I | 83.7 | Confident | 69.5 | Low | 50 Ų | 50 | 59 Ų | 59 | 26% | 0.256 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 174.8 | -66.8 | 166.7 | 0 | 0 | 0 | 110.6 | L496 L500 S563 E564 S569 | L496-I567 HydrophobicContact CD2-CD1 3.86Å; L500-I567 HydrophobicContact CB-CD1 4.26Å; L500-I567 HydrophobicContact CB-CG1 4.34Å; L500-I567 HydrophobicContact CD1-CD1 4.48Å; L500-I567 HydrophobicContact CD1-CG1 3.71Å; S563-I567 WeakPolarHBondContact O-CG1 3.45Å; S563-I567 PolarHBondContact O-N 3.19Å; E564-I567 PolarHBondContact O-N 3.49Å; I567-S569 VanDerWaalsContact C-N 3.29Å; I567-S569 PolarHBondContact O-N 2.83Å |
| 568 | Q | 81.6 | Confident | 67.1 | Low | 138 Ų | 138 | 60.6 Ų | 60.6 | 65% | 0.645 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -70.2 | -20.4 | 178.5 | -70.1 | 171.6 | 8.2 | 0 | 0 | 114.2 | E564 I565 A566 | E564-Q568 WeakPolarHBondContact O-CG 3.28Å; E564-Q568 PolarHBondContact O-N 3.01Å; E564-Q568 PolarHBondContact OE1-NE2 2.86Å; I565-Q568 PolarHBondContact O-N 3.49Å; A566-Q568 VanDerWaalsContact C-N 3.31Å; A566-Q568 PolarHBondContact O-N 2.73Å |
| 569 | S | 79.7 | Confident | 64.5 | Low | 59 Ų | 59 | 69 Ų | 69 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -100.4 | -11.4 | -176.9 | -55.8 | 0 | 0 | 0 | 0 | 114.1 | I565 A566 I567 | I565-S569 VanDerWaalsContact O-CB 3.27Å; I565-S569 WeakPolarHBondContact O-CB 3.49Å; I565-S569 PolarHBondContact O-N 3.49Å; I565-S569 PolarHBondContact O-OG 2.72Å; A566-S569 PolarHBondContact O-N 3.34Å; A566-S569 VanDerWaalsContact O-N 3.16Å; I567-S569 VanDerWaalsContact C-N 3.29Å; I567-S569 PolarHBondContact O-N 2.83Å |
| 570 | L | 74.2 | Confident | 61.7 | Low | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | trans | -77.3 | 125.9 | -179.4 | -83.7 | 168.7 | 0 | 0 | 0 | 110.3 | L503 L509 I539 L542 A566 F572 | L503-L570 HydrophobicContact CD2-CD1 3.93Å; L509-L570 HydrophobicContact CD1-CD2 4.26Å; I539-L570 HydrophobicContact CD1-CD1 3.98Å; I539-L570 HydrophobicContact CD1-CD2 3.89Å; I539-L570 HydrophobicContact CD1-CG 4.25Å; L542-L570 HydrophobicContact CD1-CD2 3.35Å; A566-L570 VanDerWaalsContact O-CG 3.31Å; A566-L570 WeakPolarHBondContact O-CG 3.16Å; A566-L570 PolarHBondContact O-N 3.29Å; A566-L570 VanDerWaalsContact O-N 3.11Å; L570-F572 HydrophobicContact CB-CD2 4.27Å; L570-F572 HydrophobicContact CD2-CD2 4.03Å; L570-F572 HydrophobicContact CD2-CE2 4.19Å; L570-F572 PolarHBondContact O-N 3.13Å | ||
| 571 | P | 58.6 | Low | 59.1 | Low | 121 Ų | 121 | 69.9 Ų | 69.9 | 79% | 0.786 | 38% | 0.379 | S | S | * | . | trans | -76.5 | 19 | -178 | 33.5 | -37.6 | 0 | 0 | 0 | 113.6 | ||||
| 572 | F | 54.1 | Low | 56.5 | Low | 74 Ų | 74 | 72.9 Ų | 72.9 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -93.5 | 125.7 | -179 | -65.5 | -82.1 | 0 | 0 | 0 | 109.7 | L509 L542 L570 P574 | L509-F572 HydrophobicContact CD1-CD2 4.17Å; L509-F572 HydrophobicContact CD1-CE2 3.91Å; L509-F572 HydrophobicContact CD1-CZ 4.48Å; L509-F572 HydrophobicContact CD2-CE2 4.04Å; L509-F572 HydrophobicContact CD2-CZ 3.86Å; L542-F572 HydrophobicContact CD1-CE2 4.12Å; L542-F572 HydrophobicContact CD2-CE2 4.3Å; L542-F572 HydrophobicContact CD2-CZ 4.42Å; L570-F572 HydrophobicContact CB-CD2 4.27Å; L570-F572 HydrophobicContact CD2-CD2 4.03Å; L570-F572 HydrophobicContact CD2-CE2 4.19Å; L570-F572 PolarHBondContact O-N 3.13Å; F572-P574 VanDerWaalsContact O-CD 3.27Å; F572-P574 WeakPolarHBondContact O-CD 3.2Å; F572-P574 VanDerWaalsContact O-N 3.07Å |
| 573 | N | 35.7 | Very low | 53.7 | Low | 122 Ų | 122 | 78 Ų | 78 | 65% | 0.652 | 44% | 0.435 | S | S | * | . | trans | -54.8 | 109.7 | -166 | -156.7 | 16 | 0 | 0 | 0 | 111.8 | F575 | N573-F575 PolarHBondContact O-N 2.96Å; N573-F575 WeakPolarHBondContact OD1-CD2 3.37Å | ||
| 574 | P | 34.2 | Very low | 50.9 | Low | 82 Ų | 82 | 83.6 Ų | 83.6 | 53% | 0.532 | 47% | 0.474 | S | S | . | . | trans | -77.9 | 26.2 | -168.1 | 30.9 | -35.3 | 0 | 0 | 0 | 114.2 | F572 S576 | F572-P574 VanDerWaalsContact O-CD 3.27Å; F572-P574 WeakPolarHBondContact O-CD 3.2Å; F572-P574 VanDerWaalsContact O-N 3.07Å; P574-S576 VanDerWaalsContact C-N 3.3Å; P574-S576 PolarHBondContact O-N 3.49Å | ||
| 575 | F | 32.5 | Very low | 48.2 | Very low | 127 Ų | 127 | 85 Ų | 85 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 63.9 | -178.5 | -77.9 | -103.1 | 0 | 0 | 0 | 111.9 | I142 N573 | I142-F575 HydrophobicContact CD1-CE1 4.38Å; N573-F575 PolarHBondContact O-N 2.96Å; N573-F575 WeakPolarHBondContact OD1-CD2 3.37Å |
| 576 | S | 34.8 | Very low | 45.5 | Very low | 95 Ų | 95 | 89.6 Ų | 89.6 | 66% | 0.664 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.8 | -10.5 | 165 | -75.7 | 0 | 0 | 0 | 0 | 115.7 | P574 | P574-S576 VanDerWaalsContact C-N 3.3Å; P574-S576 PolarHBondContact O-N 3.49Å |
| 577 | L | 34.7 | Very low | 42.8 | Very low | 76 Ų | 76 | 94.9 Ų | 94.9 | 40% | 0.398 | 54% | 0.535 | S | S | . | . | trans | -114.4 | 7.8 | -174.7 | -72.1 | 173.8 | 0 | 0 | 0 | 115 | N499 L503 E579 | N499-L577 HydrophobicContact CB-CD1 4.39Å; L503-L577 HydrophobicContact CD1-CD1 4.31Å; L577-E579 VanDerWaalsContact C-N 3.27Å; L577-E579 PolarHBondContact O-N 3.34Å | ||
| 578 | N | 32.6 | Very low | 40.1 | Very low | 79 Ų | 79 | 98.4 Ų | 98.4 | 42% | 0.422 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -8.9 | -172.2 | -76 | -3.8 | 0 | 0 | 0 | 115.4 | A580 A582 | N578-A580 PolarHBondContact O-N 3.19Å; N578-A582 WeakPolarHBondContact O-CB 3.45Å |
| 579 | E | 30.5 | Very low | 37.5 | Very low | 176 Ų | 176 | 98.8 Ų | 98.8 | 82% | 0.822 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -5.4 | 178.6 | -63.8 | -166.4 | 152.7 | 0 | 0 | 114.4 | L577 | L577-E579 VanDerWaalsContact C-N 3.27Å; L577-E579 PolarHBondContact O-N 3.34Å |
| 580 | A | 30.7 | Very low | 34.9 | Very low | 57 Ų | 57 | 101.3 Ų | 101.3 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.1 | -19.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L491 N578 | L491-A580 HydrophobicContact CD2-CB 4.31Å; N578-A580 PolarHBondContact O-N 3.19Å |
| 581 | F | 31.7 | Very low | 32.7 | Very low | 63 Ų | 63 | 105.3 Ų | 105.3 | 28% | 0.276 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.3 | -14.6 | -168.8 | -73.8 | -91.3 | 0 | 0 | 0 | 115.3 | L491 L496 T583 | L491-F581 HydrophobicContact CD2-CD1 3.98Å; L491-F581 HydrophobicContact CD2-CD2 4.17Å; L491-F581 HydrophobicContact CD2-CE1 3.56Å; L491-F581 HydrophobicContact CD2-CE2 3.76Å; L491-F581 HydrophobicContact CD2-CG 4.27Å; L491-F581 HydrophobicContact CD2-CZ 3.44Å; L491-F581 VanDerWaalsContact CD2-CZ 3.44Å; L496-F581 HydrophobicContact CD1-CE1 4.46Å; L496-F581 HydrophobicContact CD2-CE1 3.93Å; L496-F581 HydrophobicContact CD2-CZ 3.75Å; L496-F581 HydrophobicContact CG-CE1 4.17Å; L496-F581 HydrophobicContact CG-CZ 3.99Å; F581-T583 PolarHBondContact O-N 3.38Å |
| 582 | A | 29.7 | Very low | 31.2 | Very low | 68 Ų | 68 | 106 Ų | 106 | 56% | 0.562 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -75.3 | 7.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N578 | N578-A582 WeakPolarHBondContact O-CB 3.45Š|
| 583 | T | 29.2 | Very low | 29.9 | Very low | 108 Ų | 108 | 109.7 Ų | 109.7 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -127 | 128.3 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | F581 | F581-T583 PolarHBondContact O-N 3.38Š|
| 584 | S | 27 | Very low | 29.3 | Very low | 117 Ų | 117 | 109.4 Ų | 109.4 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 84.3 | 31.8 | 166.6 | -33.1 | 0 | 0 | 0 | 0 | 119.2 | ||
| 585 | Y | 28.6 | Very low | 29 | Very low | 117 Ų | 117 | 114 Ų | 114 | 46% | 0.459 | 64% | 0.637 | S | S | . | * | trans | -125.1 | 78.2 | 172.8 | -69.2 | -74.8 | 0 | 0 | 0 | 114.8 | L491 | L491-Y585 HydrophobicContact CD1-CE2 4.15Š| ||
| 586 | T | 27.2 | Very low | 28.5 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 85% | 0.847 | 64% | 0.64 | S | S | * | * | trans | -134.7 | 90.9 | 162.3 | 40.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 587 | L | 27.3 | Very low | 28.2 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 59% | 0.586 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 127.7 | 172.1 | -71.1 | 174.8 | 0 | 0 | 0 | 110.2 | L484 I589 | L484-L587 HydrophobicContact CD2-CD2 3.83Å; L587-I589 PolarHBondContact O-N 2.98Å |
| 588 | P | 27 | Very low | 27.8 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 81% | 0.805 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 121.8 | 178.5 | 27.6 | -33.4 | 0 | 0 | 0 | 110.8 | N590 | P588-N590 PolarHBondContact O-N 3.46Š|
| 589 | I | 27.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 117 Ų | 117 | 74% | 0.744 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 118.7 | 169.8 | -61.8 | 174.4 | 0 | 0 | 0 | 107.8 | L587 P591 | L587-I589 PolarHBondContact O-N 2.98Å; I589-P591 WeakPolarHBondContact O-CD 3.39Å |
| 590 | N | 25.2 | Very low | 27.3 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 60% | 0.599 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 116.1 | 170.2 | -179.1 | -5.1 | 0 | 0 | 0 | 108.9 | P588 N592 | P588-N590 PolarHBondContact O-N 3.46Å; N590-N592 VanDerWaalsContact C-N 3.27Å; N590-N592 PolarHBondContact O-N 3.18Å; N590-N592 WeakPolarHBondContact OD1-CB 3.27Å; N590-N592 PolarHBondContact OD1-N 2.99Å; N590-N592 VanDerWaalsContact OD1-N 3.14Å |
| 591 | P | 28.5 | Very low | 27 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | trans | -77.7 | -7.9 | -175.2 | 32.2 | -36.2 | 0 | 0 | 0 | 114 | I589 I593 | I589-P591 WeakPolarHBondContact O-CD 3.39Å; P591-I593 VanDerWaalsContact C-N 3.27Å; P591-I593 PolarHBondContact O-N 2.93Å | ||
| 592 | N | 26.2 | Very low | 27 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -86.3 | 37.8 | -167.3 | -65.3 | -34 | 0 | 0 | 0 | 115 | N590 | N590-N592 VanDerWaalsContact C-N 3.27Å; N590-N592 PolarHBondContact O-N 3.18Å; N590-N592 WeakPolarHBondContact OD1-CB 3.27Å; N590-N592 PolarHBondContact OD1-N 2.99Å; N590-N592 VanDerWaalsContact OD1-N 3.14Å | ||
| 593 | I | 27.9 | Very low | 26.8 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -125.1 | 80.3 | 167.5 | -54.3 | -177.1 | 0 | 0 | 0 | 108.9 | P591 | P591-I593 VanDerWaalsContact C-N 3.27Å; P591-I593 PolarHBondContact O-N 2.93Å | ||
| 594 | V | 23.1 | Very low | 27 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | trans | -83.3 | 125.1 | 164.8 | 176.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 595 | H | 26.5 | Very low | 27.1 | Very low | 180 Ų | 180 | 134 Ų | 134 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | trans | -141.7 | 128 | 149.9 | -112.4 | -71.7 | 0 | 0 | 0 | 110.8 | ||||
| 596 | T | 23.4 | Very low | 27.1 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | -75.1 | 136 | 178.8 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 597 | N | 27.2 | Very low | 27.3 | Very low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | -179.9 | 143.6 | 120.4 | -89.1 | -17.8 | 0 | 0 | 0 | 114.3 | |||||
| 598 | A | 26.2 | Very low | 27.4 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 32.7 | 113 | 150 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 599 | A | 26.1 | Very low | 27.7 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | 43.8 | 119.6 | 132.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 600 | F | 27.4 | Very low | 27.8 | Very low | 205 Ų | 205 | 134 Ų | 134 | 90% | 0.899 | 76% | 0.761 | S | S | * | * | -164.1 | 129.1 | 106.3 | -117.9 | -82.4 | 0 | 0 | 0 | 111.4 | |||||
| 601 | M | 24.9 | Very low | 28.1 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | -106 | 136.8 | 163.5 | -88 | -173.6 | 165.9 | 0 | 0 | 109.2 | ||||
| 602 | P | 31.2 | Very low | 28.3 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -93 | 105.9 | 162.6 | 32.7 | -26.6 | 0 | 0 | 0 | 110.4 | ||||
| 603 | L | 25.1 | Very low | 28.6 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 137.1 | 163.8 | -70.1 | 169.1 | 0 | 0 | 0 | 109.6 | L605 | L603-L605 PolarHBondContact O-N 3.49Š|
| 604 | P | 32.6 | Very low | 28.9 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75 | 118.6 | 163.4 | 30 | -30.1 | 0 | 0 | 0 | 109.5 | ||
| 605 | L | 29.9 | Very low | 29.5 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 145.9 | 176.3 | -89.2 | 163.3 | 0 | 0 | 0 | 112 | L603 | L603-L605 PolarHBondContact O-N 3.49Š|
| 606 | S | 27.7 | Very low | 29.7 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 149.1 | 173.9 | 178 | 0 | 0 | 0 | 0 | 112.5 | ||
| 607 | N | 32.1 | Very low | 30.1 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | -171.8 | 127.7 | 119.3 | -94.4 | -22.1 | 0 | 0 | 0 | 115.7 | |||||
| 608 | N | 30.6 | Very low | 30.2 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 31.1 | 114.7 | 142.1 | -66.4 | -24.2 | 0 | 0 | 0 | 121.4 | ||||
| 609 | M | 31.5 | Very low | 30.5 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | 168.7 | 151.7 | 108.3 | -90.5 | 168.7 | 59.5 | 0 | 0 | 110.7 | |||||
| 610 | A | 31.5 | Very low | 30.6 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | cis | -165.9 | 148.8 | -32.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 611 | N | 30.7 | Very low | 30.8 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 53.4 | 104.1 | 154.4 | -56.2 | -11.7 | 0 | 0 | 0 | 121.7 | ||||
| 612 | S | 33.3 | Very low | 31.1 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 166.8 | 98.2 | 117.3 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 613 | S | 32.7 | Very low | 30.9 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 57.8 | 122.9 | 94.3 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 614 | T | 33.5 | Very low | 31.1 | Very low | 136 Ų | 136 | 138 Ų | 138 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | cis | -144.3 | 169.1 | 30.1 | 41.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 615 | P | 34.5 | Very low | 30.9 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -121.1 | -165.7 | -160.3 | 44.8 | -32.7 | 0 | 0 | 0 | 115.7 | ||||
| 616 | L | 31.3 | Very low | 30.9 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | 123.7 | 138.8 | 169.7 | -68.7 | 164.7 | 0 | 0 | 0 | 110.4 | ||||
| 617 | N | 31.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | cis | -148 | 171.8 | 10.6 | -139.1 | -16.1 | 0 | 0 | 0 | 113.5 | ||||
| 618 | L | 30.3 | Very low | 30.6 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -15.9 | 157 | 165.3 | -92 | 50.1 | 0 | 0 | 0 | 119.7 | ||||
| 619 | L | 31.6 | Very low | 30.5 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | cis | -151.4 | 169.1 | 23.7 | -168.9 | 56.8 | 0 | 0 | 0 | 112.9 | ||||
| 620 | Q | 27.6 | Very low | 30.3 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -101.9 | 135 | 176.3 | -60.2 | 160.2 | -55.5 | 0 | 0 | 113.2 | ||||
| 621 | S | 31.5 | Very low | 30.1 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -152 | 111.3 | 150.9 | 50 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 622 | Q | 31.3 | Very low | 30.2 | Very low | 186 Ų | 186 | 134 Ų | 134 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | 67.2 | 121.1 | 96.3 | -70.7 | -170.9 | 3.5 | 0 | 0 | 115.1 | |||||
| 623 | T | 28.3 | Very low | 29.9 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | -35.9 | 136.1 | 170.6 | 47.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 624 | N | 29.8 | Very low | 29.7 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -130.2 | 95.5 | 151.5 | -98.7 | -38.2 | 0 | 0 | 0 | 109.9 | ||||
| 625 | I | 28.1 | Very low | 29.6 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -88.8 | 105.1 | 162.9 | -65.1 | 175 | 0 | 0 | 0 | 106.4 | Q627 | I625-Q627 VanDerWaalsContact C-N 3.34Å; I625-Q627 HydrophobicContact CG2-CB 4.38Å; I625-Q627 HydrophobicContact CG2-CG 4.02Å; I625-Q627 PolarHBondContact O-N 3.25Å | ||
| 626 | L | 28.5 | Very low | 29.2 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -92.7 | 70.8 | 169 | -95.6 | 167.1 | 0 | 0 | 0 | 110.7 | L628 | L626-L628 HydrophobicContact CD2-CD2 4.29Å; L626-L628 HydrophobicContact CD2-CG 4.37Å; L626-L628 PolarHBondContact O-N 3.24Å | ||
| 627 | Q | 28.1 | Very low | 29.2 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | trans | -70.8 | 103.5 | 152.9 | -84.1 | -176.8 | -111.2 | 0 | 0 | 108.3 | I625 S629 | I625-Q627 VanDerWaalsContact C-N 3.34Å; I625-Q627 HydrophobicContact CG2-CB 4.38Å; I625-Q627 HydrophobicContact CG2-CG 4.02Å; I625-Q627 PolarHBondContact O-N 3.25Å; Q627-S629 PolarHBondContact NE2-OG 3.07Å; Q627-S629 PolarHBondContact O-N 2.7Å | ||
| 628 | L | 27 | Very low | 29.1 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -78.9 | 57.8 | 162.7 | -74.9 | 175.5 | 0 | 0 | 0 | 111 | L626 G630 | L626-L628 HydrophobicContact CD2-CD2 4.29Å; L626-L628 HydrophobicContact CD2-CG 4.37Å; L626-L628 PolarHBondContact O-N 3.24Å; L628-G630 PolarHBondContact O-N 3.22Å | ||
| 629 | S | 26.9 | Very low | 29.1 | Very low | 73 Ų | 73 | 139 Ų | 139 | 51% | 0.51 | 77% | 0.77 | S | S | . | * | trans | -94.8 | 73.1 | 163.9 | 53.7 | 0 | 0 | 0 | 0 | 108.9 | Q627 T631 | Q627-S629 PolarHBondContact NE2-OG 3.07Å; Q627-S629 PolarHBondContact O-N 2.7Å; S629-T631 VanDerWaalsContact C-N 3.32Å; S629-T631 PolarHBondContact O-N 2.81Å | ||
| 630 | G | 28.7 | Very low | 29.1 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 69.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L628 | L628-G630 PolarHBondContact O-N 3.22Š| ||
| 631 | T | 27 | Very low | 29.1 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -104.1 | 87.2 | 169.6 | 54 | 0 | 0 | 0 | 0 | 110.7 | S629 | S629-T631 VanDerWaalsContact C-N 3.32Å; S629-T631 PolarHBondContact O-N 2.81Å | ||
| 632 | T | 31.3 | Very low | 29.1 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -103.3 | 105.3 | 176.8 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 633 | N | 27.3 | Very low | 28.8 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -93.4 | 171.5 | 164.6 | -106.2 | -35.5 | 0 | 0 | 0 | 110.5 | ||||
| 634 | F | 28.4 | Very low | 28.9 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 77.4 | 149.2 | 170.3 | -48 | -70.8 | 0 | 0 | 0 | 117.2 | ||||
| 635 | P | 32.4 | Very low | 28.8 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | -136.6 | 148.2 | -33.4 | 34.9 | -18.2 | 0 | 0 | 0 | 115.8 | ||||
| 636 | I | 26.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 11 | 121.6 | 144.2 | -57.2 | 161.8 | 0 | 0 | 0 | 118 | ||||
| 637 | N | 30.4 | Very low | 29 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | -162.7 | 142.2 | 121.6 | -110.4 | -35.7 | 0 | 0 | 0 | 115 | |||||
| 638 | N | 30.5 | Very low | 28.8 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | 21.5 | 107.5 | 161.7 | -63.7 | -3.8 | 0 | 0 | 0 | 119.6 | ||||
| 639 | T | 29.1 | Very low | 29.1 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | 59.6 | 108.1 | 78.8 | 68.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 640 | G | 32 | Very low | 29.1 | Very low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -168.1 | 110.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 641 | L | 27.2 | Very low | 29.3 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -85.8 | 146.1 | -176.9 | -68.6 | 148.5 | 0 | 0 | 0 | 111.6 | ||||
| 642 | T | 31.5 | Very low | 29.6 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | 168.5 | 156.2 | 108.8 | 36 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 643 | N | 25.8 | Very low | 29.6 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -93.7 | 148.2 | 176.5 | -61.2 | -27.5 | 0 | 0 | 0 | 111.4 | ||||
| 644 | V | 31.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -137.8 | 138.4 | 150.8 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 645 | T | 26.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -118.4 | 155.6 | -177.4 | 38.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 646 | G | 30.8 | Very low | 30.2 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 113.7 | 152.8 | 171 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 647 | N | 29.8 | Very low | 30.3 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | cis | -155.5 | 169.9 | -8.8 | -151.3 | -2.7 | 0 | 0 | 0 | 110.8 | ||||
| 648 | L | 25 | Very low | 30.3 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -74.1 | 147.2 | -176.3 | -55.9 | 108.6 | 0 | 0 | 0 | 114.1 | ||||
| 649 | T | 31.5 | Very low | 30.2 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | trans | -146.8 | 147.6 | 136.6 | 37.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 650 | N | 27.3 | Very low | 30.3 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | -104.2 | 151.9 | 174 | 176.3 | 29 | 0 | 0 | 0 | 109.4 | ||||
| 651 | N | 34.2 | Very low | 30.3 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -153 | 140 | 152.6 | -131.1 | -15.3 | 0 | 0 | 0 | 113 | ||||
| 652 | N | 32.7 | Very low | 30.3 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 60% | 0.599 | 80% | 0.797 | S | S | * | * | trans | -85.6 | 159.2 | -176.9 | -58.5 | -35 | 0 | 0 | 0 | 111.9 | ||||
| 653 | N | 32 | Very low | 30.3 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | 154.7 | 118.7 | 119.1 | -77.5 | -25.7 | 0 | 0 | 0 | 112.5 | |||||
| 654 | N | 36.9 | Very low | 30.3 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | 176.7 | 142.7 | 103.8 | -89.6 | -43.7 | 0 | 0 | 0 | 112.3 | |||||
| 655 | N | 28.7 | Very low | 30.2 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -82.6 | 147.8 | 172.6 | -75.8 | -34.9 | 0 | 0 | 0 | 111.5 | ||||
| 656 | V | 34.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -131.1 | 139.1 | 130.3 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 657 | N | 27.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 139 Ų | 139 | 59% | 0.588 | 79% | 0.79 | S | S | * | * | trans | -124.8 | 139.6 | -172.4 | 174.7 | 34.9 | 0 | 0 | 0 | 110.1 | ||||
| 658 | L | 31.9 | Very low | 30.2 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -141.9 | 114.5 | 160.4 | -91.5 | 174.3 | 0 | 0 | 0 | 109.2 | ||||
| 659 | Q | 27.4 | Very low | 30.3 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | -101.5 | 162.8 | 167.6 | -62.2 | 174.7 | -58.5 | 0 | 0 | 108.6 | ||||
| 660 | N | 31.9 | Very low | 30.2 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | -161.8 | 138.6 | 115.8 | -118.1 | 22.6 | 0 | 0 | 0 | 115.3 | |||||
| 661 | E | 31.9 | Very low | 30.2 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 71.3 | 138.7 | 145.1 | -72 | 167.1 | -168.1 | 0 | 0 | 122.6 | ||||
| 662 | C | 26.5 | Very low | 30.1 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -135.1 | 159.3 | -177 | -50.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 663 | T | 31.5 | Very low | 29.9 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 93% | 0.933 | 78% | 0.778 | S | S | * | * | trans | -151 | 159.8 | 149.4 | -25.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 664 | A | 26.4 | Very low | 29.8 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -143.3 | 163.8 | -165 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 665 | G | 29.2 | Very low | 29.4 | Very low | 69 Ų | 69 | 138.5 Ų | 138.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 132.6 | 143.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 666 | T | 31.2 | Very low | 29.6 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | -154.7 | 137.7 | 0.4 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 667 | I | 25.9 | Very low | 29.4 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | -6.8 | 145.1 | 142.2 | -20.1 | -179.8 | 0 | 0 | 0 | 114.3 | ||||
| 668 | I | 29.4 | Very low | 29.5 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | -167.9 | 150.9 | 50.7 | -13.2 | 175.8 | 0 | 0 | 0 | 114.3 | |||||
| 669 | N | 27.3 | Very low | 29.5 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 63 | 151.1 | 152.8 | -69.3 | -7.6 | 0 | 0 | 0 | 119.5 | ||||
| 670 | N | 30.8 | Very low | 29.5 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | cis | -136.3 | 161.2 | 10.5 | -115.1 | -15.4 | 0 | 0 | 0 | 111.9 | ||||
| 671 | A | 26.7 | Very low | 29.2 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | trans | -97.3 | 168 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 672 | F | 31.5 | Very low | 29 | Very low | 211 Ų | 211 | 133.1 Ų | 133.1 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | -157.2 | 132.3 | 126.1 | -108.8 | -69.6 | 0 | 0 | 0 | 111.4 | |||||
| 673 | D | 27.9 | Very low | 29.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | trans | -80.2 | 162.5 | -178.2 | -65.9 | -90.6 | 0 | 0 | 0 | 114 | ||||
| 674 | Y | 31.7 | Very low | 29 | Very low | 237 Ų | 237 | 135.4 Ų | 135.4 | 93% | 0.929 | 78% | 0.777 | S | S | * | * | -151.8 | 136.9 | 107.6 | -112.1 | -74 | 0 | 0 | 0 | 111 | |||||
| 675 | S | 28.1 | Very low | 29.2 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 55% | 0.545 | 77% | 0.77 | S | S | . | * | trans | -126.2 | 160.3 | -173.7 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 676 | T | 33 | Very low | 29.1 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | -147.4 | 130.7 | 147.1 | -7.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 677 | Q | 30 | Very low | 28.9 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | trans | -100.3 | 178.6 | -179.1 | -52.2 | -178.9 | 7.8 | 0 | 0 | 110.9 | ||||
| 678 | L | 29.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 136 Ų | 136 | 67% | 0.665 | 78% | 0.779 | S | S | * | * | 178.1 | 147 | 98.4 | -90.6 | 174.9 | 0 | 0 | 0 | 115.4 | |||||
| 679 | F | 31.1 | Very low | 28.9 | Very low | 170 Ų | 170 | 137 Ų | 137 | 75% | 0.746 | 79% | 0.786 | S | S | * | * | trans | 64.8 | 89.9 | 156.1 | -60.2 | -50.8 | 0 | 0 | 0 | 123 | ||||
| 680 | S | 27.7 | Very low | 28.9 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | 65.5 | 108 | 103.4 | -58.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 681 | T | 25.4 | Very low | 28.5 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | 50 | 116.8 | 126.4 | 62.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 682 | G | 29.1 | Very low | 28.6 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -168.6 | 101 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 683 | T | 27.9 | Very low | 28.3 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -95.2 | 136.6 | 179.3 | 28.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 684 | L | 30.1 | Very low | 28.4 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | 179.3 | 149.4 | 148.6 | -105.7 | 161.2 | 0 | 0 | 0 | 113.6 | ||||
| 685 | G | 29.7 | Very low | 28.3 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 100.8 | 107.3 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 686 | N | 27.5 | Very low | 28.3 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -92.4 | 161.9 | 164.7 | -89.7 | -11.1 | 0 | 0 | 0 | 112.3 | ||||
| 687 | N | 27.3 | Very low | 28 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | 96.1 | 119.7 | 157.5 | -59.5 | -21.6 | 0 | 0 | 0 | 119.8 | ||||
| 688 | G | 26.1 | Very low | 28 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 84.8 | 145.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 689 | L | 27.7 | Very low | 27.8 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | cis | -157.3 | 154.6 | 18.3 | -87.8 | 168.5 | 0 | 0 | 0 | 112.3 | ||||
| 690 | I | 27.6 | Very low | 27.6 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | 65.8 | 122.1 | 146.2 | -64.1 | 161.6 | 0 | 0 | 0 | 119.5 | ||||
| 691 | N | 23.6 | Very low | 27.6 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -54.4 | 132.2 | 162.4 | -110.2 | -21.7 | 0 | 0 | 0 | 113 | ||||
| 692 | A | 28.1 | Very low | 27.7 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -138.3 | 109.2 | 161 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 693 | T | 25.7 | Very low | 27.7 | Very low | 134 Ų | 134 | 146 Ų | 146 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -69.8 | 125.8 | -178.8 | 37.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 694 | F | 29.5 | Very low | 27.8 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -141.3 | 105.1 | 163.5 | -109.6 | -82.6 | 0 | 0 | 0 | 113.5 | ||||
| 695 | N | 30.5 | Very low | 28 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 29 | 111.4 | 151 | -60.6 | -14.2 | 0 | 0 | 0 | 121 | Q697 | N695-Q697 PolarHBondContact O-N 3.34Š| ||
| 696 | N | 26.7 | Very low | 28.1 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -17.4 | 117.2 | 155.8 | -61.1 | -14.3 | 0 | 0 | 0 | 117.2 | ||||
| 697 | Q | 26.7 | Very low | 28.2 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -137.9 | 136.9 | 148.4 | -77 | -61.1 | -64.7 | 0 | 0 | 108.8 | N695 T699 | N695-Q697 PolarHBondContact O-N 3.34Å; Q697-T699 PolarHBondContact O-N 3.13Å | ||
| 698 | P | 29.8 | Very low | 28.3 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | trans | -77.2 | 109.1 | 176.3 | 30.3 | -32.2 | 0 | 0 | 0 | 110.6 | Y700 | P698-Y700 PolarHBondContact O-N 2.94Š| ||
| 699 | T | 26.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 146 Ų | 146 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -70.9 | 111.3 | 175 | 19.7 | 0 | 0 | 0 | 0 | 111.3 | Q697 Y701 | Q697-T699 PolarHBondContact O-N 3.13Å; T699-Y701 PolarHBondContact O-N 2.89Å | ||
| 700 | Y | 27.3 | Very low | 28.3 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 74% | 0.737 | 78% | 0.778 | S | S | * | * | trans | -76.9 | 115.4 | 169 | -77.2 | -94.4 | 0 | 0 | 0 | 110.1 | P698 F702 | P698-Y700 PolarHBondContact O-N 2.94Å; Y700-F702 PolarHBondContact O-N 3.13Å | ||
| 701 | Y | 26.8 | Very low | 28.2 | Very low | 237 Ų | 237 | 141 Ų | 141 | 93% | 0.929 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 119.4 | 163.8 | -118 | -93.4 | 0 | 0 | 0 | 108.9 | T699 | T699-Y701 PolarHBondContact O-N 2.89Š|
| 702 | F | 27.9 | Very low | 28.3 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 133.6 | 171.9 | -81.3 | -92.6 | 0 | 0 | 0 | 110 | Y700 | Y700-F702 PolarHBondContact O-N 3.13Š|
| 703 | D | 28.6 | Very low | 28.3 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 124.3 | 168 | -174.7 | -26.7 | 0 | 0 | 0 | 109.1 | N705 | D703-N705 PolarHBondContact O-N 3.29Å; D703-N705 WeakPolarHBondContact OD1-CB 3.35Å; D703-N705 PolarHBondContact OD1-N 2.8Å |
| 704 | P | 30.9 | Very low | 28.3 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -61.9 | -22.3 | -179.7 | -24.5 | 35.4 | 0 | 0 | 0 | 115 | S706 | P704-S706 VanDerWaalsContact C-N 3.27Å; P704-S706 PolarHBondContact O-N 2.72Å; P704-S706 VanDerWaalsContact O-N 3.08Å |
| 705 | N | 34.2 | Very low | 28.2 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -84.8 | 21.8 | -161.8 | -67 | -31.1 | 0 | 0 | 0 | 115.6 | D703 | D703-N705 PolarHBondContact O-N 3.29Å; D703-N705 WeakPolarHBondContact OD1-CB 3.35Å; D703-N705 PolarHBondContact OD1-N 2.8Å |
| 706 | S | 32 | Very low | 28.3 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -111.9 | 7.2 | -178.5 | -123 | 0 | 0 | 0 | 0 | 115.6 | P704 T708 | P704-S706 VanDerWaalsContact C-N 3.27Å; P704-S706 PolarHBondContact O-N 2.72Å; P704-S706 VanDerWaalsContact O-N 3.08Å; S706-T708 PolarHBondContact O-N 2.9Å |
| 707 | I | 28.2 | Very low | 28.5 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -91.7 | 67 | -176.5 | -47.4 | -176.8 | 0 | 0 | 0 | 111.8 | ||||
| 708 | T | 30 | Very low | 28.7 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -140.2 | 68.2 | 175.4 | -43.8 | 0 | 0 | 0 | 0 | 112.8 | S706 | S706-T708 PolarHBondContact O-N 2.9Š| ||
| 709 | T | 27.5 | Very low | 28.9 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 180 | 77.5 | 147.8 | -70.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 710 | A | 26.5 | Very low | 29.3 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -159.1 | 36 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 711 | A | 25.4 | Very low | 29.9 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -133.4 | 76.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 712 | A | 26.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -153.5 | 41.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 713 | A | 26.8 | Very low | 30.6 | Very low | 103 Ų | 103 | 121 Ų | 121 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -158 | 55.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 714 | A | 26.9 | Very low | 30.7 | Very low | 100 Ų | 100 | 124 Ų | 124 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -155.2 | 85.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 715 | T | 28.1 | Very low | 30.8 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -146.4 | 81.7 | 168.3 | -51 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 716 | A | 30.7 | Very low | 30.7 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | -175 | 155.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 717 | M | 30.7 | Very low | 30.7 | Very low | 184 Ų | 184 | 122.7 Ų | 122.7 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | 75.6 | 108.3 | 157.8 | -46.8 | -143.9 | 172.7 | 0 | 0 | 118.7 | ||||
| 718 | L | 32.1 | Very low | 31 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 165.7 | 175.5 | -77.4 | 81.6 | 0 | 0 | 0 | 113.4 | ||||
| 719 | V | 33.9 | Very low | 30.9 | Very low | 139 Ų | 139 | 123.4 Ų | 123.4 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | 75.7 | 123.9 | 146.8 | 163.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 720 | G | 34.7 | Very low | 31.1 | Very low | 63 Ų | 63 | 124.2 Ų | 124.2 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | -113 | -144.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 721 | P | 40.1 | Very low | 31.4 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | cis | -131.2 | -154.4 | -6.9 | 38.1 | -17.3 | 0 | 0 | 0 | 112 | ||||
| 722 | N | 35.3 | Very low | 31.5 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 111 | 131.4 | 161.2 | -56.9 | -31.5 | 0 | 0 | 0 | 117.3 | ||||
| 723 | G | 33.9 | Very low | 32 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 140.5 | 95.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 724 | L | 30.3 | Very low | 32.3 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -88.2 | 155.4 | 174.3 | -75 | 104.2 | 0 | 0 | 0 | 112.6 | ||||
| 725 | G | 33.9 | Very low | 32.5 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -156.2 | 14.9 | -176 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 726 | T | 31.3 | Very low | 32.5 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | 36.4 | 127.2 | 152.2 | 49.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 727 | I | 32.8 | Very low | 32.3 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | 75.3 | 147.7 | 137.8 | -61.4 | 168.1 | 0 | 0 | 0 | 115.3 | ||||
| 728 | N | 33.3 | Very low | 32.5 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | cis | -142.9 | 171.2 | 6.3 | 27.2 | 30.6 | 0 | 0 | 0 | 113.2 | ||||
| 729 | N | 28.2 | Very low | 32.3 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -85.6 | 153.5 | 171 | -58.3 | -43.3 | 0 | 0 | 0 | 113 | ||||
| 730 | N | 32.4 | Very low | 32.1 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | 175 | 148.4 | 122 | -90.2 | -17.9 | 0 | 0 | 0 | 116.4 | |||||
| 731 | A | 32.1 | Very low | 31.7 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 51.3 | 92 | 145.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 732 | I | 28.9 | Very low | 31.3 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | 4.4 | 142.6 | 108.8 | -46.4 | 173.8 | 0 | 0 | 0 | 116.5 | |||||
| 733 | P | 36.7 | Very low | 31 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -131.6 | -162.5 | -28.8 | 41.3 | -23 | 0 | 0 | 0 | 112.3 | ||||
| 734 | Q | 33 | Very low | 30.7 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | 155.6 | 100.7 | 134.6 | -80.8 | -75.7 | 0.4 | 0 | 0 | 114 | ||||
| 735 | I | 29.5 | Very low | 30.7 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | 41.5 | 120.6 | 121.2 | -65.2 | 178 | 0 | 0 | 0 | 121.2 | |||||
| 736 | I | 28.3 | Very low | 30.5 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | 68.5 | 129.7 | 151 | -65.9 | 167 | 0 | 0 | 0 | 120.5 | ||||
| 737 | G | 27.7 | Very low | 30.7 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | 161.1 | 122.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 738 | I | 33.6 | Very low | 30.6 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | 62.6 | 82.9 | 142.2 | -44.4 | 177.6 | 0 | 0 | 0 | 119.7 | ||||
| 739 | Q | 28.6 | Very low | 30.6 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | 36.2 | 127.4 | 111.3 | -171.4 | 170.2 | -40.6 | 0 | 0 | 122.7 | |||||
| 740 | Q | 28.7 | Very low | 30.8 | Very low | 158 Ų | 158 | 136 Ų | 136 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 87.8 | 121.7 | 146.8 | -87.2 | 166.4 | -17.8 | 0 | 0 | 124 | ||||
| 741 | S | 27.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 61.4 | 124.9 | 139.1 | 64 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 742 | L | 31.1 | Very low | 30.8 | Very low | 171 Ų | 171 | 138 Ų | 138 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | -160.5 | 165.2 | 115.1 | -105.5 | 163.4 | 0 | 0 | 0 | 111 | |||||
| 743 | T | 29.7 | Very low | 30.9 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | -130.8 | 152.9 | -168.8 | 45.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 744 | N | 26.9 | Very low | 30.6 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 69.4 | 119.5 | 158 | -62 | -7.1 | 0 | 0 | 0 | 119.8 | ||||
| 745 | C | 30.6 | Very low | 30.7 | Very low | 135 Ų | 135 | 133 Ų | 133 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | trans | 176 | 144 | 133.1 | -93.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 746 | G | 30.5 | Very low | 30.7 | Very low | 61 Ų | 61 | 132.1 Ų | 132.1 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | 120.1 | 113.2 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 747 | N | 33.9 | Very low | 31 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | 170.3 | 169.1 | 148.3 | -86.3 | -12 | 0 | 0 | 0 | 112.8 | ||||
| 748 | E | 30.6 | Very low | 31.2 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -122.7 | 166.8 | -154 | -52 | 178 | 108.8 | 0 | 0 | 116.8 | ||||
| 749 | L | 33.5 | Very low | 31.1 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 171 | 155.6 | 145.8 | -92.1 | 156.1 | 0 | 0 | 0 | 108.3 | ||||
| 750 | G | 32.5 | Very low | 31.3 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 138.9 | 132.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 751 | Q | 35.1 | Very low | 31.4 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | -158.8 | 160.4 | -3.6 | -46.1 | 176 | 14.8 | 0 | 0 | 110.8 | ||||
| 752 | N | 30.8 | Very low | 31.7 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 64.3 | 152.3 | 150 | -59.5 | -21.6 | 0 | 0 | 0 | 120 | ||||
| 753 | C | 30.9 | Very low | 31.6 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | cis | -161.4 | 155 | -1.5 | -120.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 754 | S | 29.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 33.8 | 150.4 | 139.7 | -57 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 755 | S | 34.3 | Very low | 32 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | cis | 178.9 | 153.6 | -6.2 | 50 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 756 | S | 31.2 | Very low | 32 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 66 | 163.4 | 155.6 | -80.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 757 | S | 34.3 | Very low | 32 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | 175.6 | 164.8 | -18.8 | 63.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 758 | T | 31.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | cis | -172.2 | 163.2 | -5.4 | 10.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 759 | I | 31.4 | Very low | 32.4 | Very low | 172 Ų | 172 | 124 Ų | 124 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | 70.1 | 146.4 | 157.5 | -64.7 | 155.7 | 0 | 0 | 0 | 117.1 | ||||
| 760 | G | 32.3 | Very low | 32.4 | Very low | 62 Ų | 62 | 120.8 Ų | 120.8 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | cis | 177.7 | 158.8 | -11.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 761 | Q | 31.3 | Very low | 32.4 | Very low | 192 Ų | 192 | 121.3 Ų | 121.3 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | 46.6 | 122.5 | 138 | -56 | -174.4 | 6.3 | 0 | 0 | 124 | ||||
| 762 | S | 32.7 | Very low | 32.3 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | -176.1 | 169.7 | 119.9 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 763 | V | 30.1 | Very low | 32.4 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | -149.2 | 168.2 | -127.3 | -77.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 764 | N | 31.8 | Very low | 32.5 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | 75.2 | 149.3 | 162.9 | -54.3 | -35.5 | 0 | 0 | 0 | 117.1 | ||||
| 765 | S | 32.1 | Very low | 32.7 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | cis | -171.8 | 171.4 | -17 | 53.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 766 | L | 30.5 | Very low | 32.6 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | cis | -127.3 | 170 | 9.2 | -71.9 | 88.8 | 0 | 0 | 0 | 109 | ||||
| 767 | S | 31.7 | Very low | 32.7 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | cis | 87.9 | 156.4 | 14.5 | 90.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 768 | P | 40.6 | Very low | 32.6 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | -146.6 | 177.5 | -74.8 | 42 | -24.8 | 0 | 0 | 0 | 117.5 | |||||
| 769 | L | 31.8 | Very low | 32.6 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | -142.9 | 113.4 | 142.3 | -91.1 | 107.6 | 0 | 0 | 0 | 107.4 | ||||
| 770 | A | 34 | Very low | 32.7 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | 72.3 | 122.4 | 68.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 771 | G | 33.1 | Very low | 32.5 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | cis | 169.1 | -178.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 772 | L | 31.2 | Very low | 32.6 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | cis | -171.3 | 173 | -16.2 | -136.3 | 175.4 | 0 | 0 | 0 | 108.5 | ||||
| 773 | Y | 33.1 | Very low | 32.4 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | trans | 77.8 | 142.2 | 169.6 | -52.9 | -68.2 | 0 | 0 | 0 | 118 | ||||
| 774 | N | 33.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | cis | -155.4 | 158.1 | -1 | -130.6 | -6.8 | 0 | 0 | 0 | 115.1 | ||||
| 775 | F | 34.8 | Very low | 32.6 | Very low | 194 Ų | 194 | 131.5 Ų | 131.5 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | 14.3 | 148.1 | 165.5 | -61.1 | -66.2 | 0 | 0 | 0 | 123.3 | ||||
| 776 | G | 30.9 | Very low | 32.6 | Very low | 61 Ų | 61 | 131 Ų | 131 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 164.1 | 179.7 | -1.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 777 | L | 33.5 | Very low | 32.7 | Very low | 165 Ų | 165 | 132 Ų | 132 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 143.9 | 179.5 | -52.3 | 174.8 | 0 | 0 | 0 | 116.4 | ||||
| 778 | Q | 32.1 | Very low | 32.7 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | -160.4 | 150.5 | -26.1 | -168 | 91.6 | -15.4 | 0 | 0 | 107.3 | ||||
| 779 | I | 31.3 | Very low | 32.2 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | trans | -105.4 | 168.4 | -178.7 | -21.1 | 177.6 | 0 | 0 | 0 | 111.2 | ||||
| 780 | P | 33.9 | Very low | 32.2 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | -141.2 | 158.3 | 92.7 | 38.6 | -24.8 | 0 | 0 | 0 | 116.2 | |||||
| 781 | L | 28 | Very low | 31.9 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -115.3 | 154.7 | 166.8 | -90.4 | 166.2 | 0 | 0 | 0 | 109.2 | ||||
| 782 | I | 33.1 | Very low | 32 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -130.2 | 142 | 160.7 | -63.9 | -178.2 | 0 | 0 | 0 | 108.5 | ||||
| 783 | S | 29.8 | Very low | 31.8 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -151.9 | 139.6 | 173.8 | -56.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 784 | T | 33.4 | Very low | 31.8 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -141.8 | 151 | 172.5 | 44.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 785 | S | 32 | Very low | 31.5 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -154.7 | 175 | -170.5 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 786 | A | 31.8 | Very low | 31.4 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | 93.3 | 124.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 787 | L | 32.7 | Very low | 31.4 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | 177.1 | 148.7 | 129.7 | -110.4 | 74.7 | 0 | 0 | 0 | 105.2 | |||||
| 788 | S | 32.1 | Very low | 31.4 | Very low | 80 Ų | 80 | 131 Ų | 131 | 56% | 0.559 | 77% | 0.772 | S | S | * | * | cis | 167.2 | 120.6 | -32.2 | 50.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 789 | Q | 29 | Very low | 31.4 | Very low | 198 Ų | 198 | 131.3 Ų | 131.3 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | 62.2 | 154.2 | 160.7 | -52.7 | 173.7 | 17.4 | 0 | 0 | 115.8 | ||||
| 790 | S | 32.1 | Very low | 31.5 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | cis | -148.9 | 170.4 | -0 | 55 | 0 | 0 | 0 | 0 | 110 | ||||
| 791 | Q | 28.2 | Very low | 31.4 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -72.1 | 164 | 161.4 | -70.2 | -172.2 | -24.9 | 0 | 0 | 111.1 | ||||
| 792 | P | 34.4 | Very low | 31.8 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | -139.6 | -173.5 | 97.3 | 40.3 | -27.9 | 0 | 0 | 0 | 114.5 | |||||
| 793 | T | 27.9 | Very low | 31.8 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | -117.1 | 173.3 | -170.6 | 48 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 794 | T | 32.4 | Very low | 32 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | 96.3 | 121.6 | 156.7 | 70.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 795 | N | 29 | Very low | 31.8 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | 79.2 | 132.1 | 127.7 | -64.6 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 796 | S | 31.3 | Very low | 31.7 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 96.2 | 97.5 | 132.2 | 54.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 797 | T | 30.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | 72 | 104.3 | 113.4 | -46.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 798 | S | 34.6 | Very low | 31.5 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | -166.5 | 100.9 | 127.7 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 799 | Q | 32.2 | Very low | 31.3 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | 53.2 | 104.2 | 85.5 | -72.7 | -160.3 | 7.4 | 0 | 0 | 116.7 | |||||
| 800 | T | 32.9 | Very low | 31.2 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 95% | 0.951 | 76% | 0.762 | S | S | * | * | -156.7 | 149.2 | 129.9 | -2.5 | 0 | 0 | 0 | 0 | 108 | |||||
| 801 | A | 32.8 | Very low | 31.1 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -149.5 | 149.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 802 | T | 36.2 | Very low | 31.2 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -176 | 108.3 | 159.9 | -77.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 803 | V | 32.4 | Very low | 31 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | 64.2 | 118.7 | 73.2 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 804 | M | 33.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | cis | -161 | 166.5 | 34.5 | -164.6 | 48 | 168.9 | 0 | 0 | 113.2 | ||||
| 805 | N | 30.6 | Very low | 31.2 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | 56.4 | 114 | 156.4 | -79.2 | 1.8 | 0 | 0 | 0 | 123.1 | ||||
| 806 | L | 29.4 | Very low | 31.3 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | 37.4 | 109 | 110.4 | -73.6 | 145.6 | 0 | 0 | 0 | 119.1 | |||||
| 807 | L | 31.6 | Very low | 31.3 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | -161.2 | 175.7 | 101.4 | -106.4 | 164.8 | 0 | 0 | 0 | 111.3 | |||||
| 808 | N | 27.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -137.9 | 166.8 | -162.7 | -168.5 | 7.8 | 0 | 0 | 0 | 111.1 | ||||
| 809 | Q | 28.7 | Very low | 31.3 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 65% | 0.654 | 77% | 0.766 | S | S | * | * | trans | 80.4 | 114.3 | 163.5 | -55.7 | -174.1 | 15.4 | 0 | 0 | 120.6 | ||||
| 810 | S | 26.9 | Very low | 31.5 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 75.2 | 176.8 | 122.2 | -56.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 811 | Y | 29.8 | Very low | 31.5 | Very low | 194 Ų | 194 | 131.4 Ų | 131.4 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | 79.6 | 138.7 | 169.3 | -60.7 | -78.4 | 0 | 0 | 0 | 117.6 | ||||
| 812 | T | 31.3 | Very low | 31.5 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | cis | -165.5 | 176.6 | -31.4 | 7.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 813 | N | 29.8 | Very low | 31.3 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -50.2 | 148.7 | 160.1 | -60.1 | -39.9 | 0 | 0 | 0 | 112.7 | V815 | N813-V815 PolarHBondContact O-N 3.15Š| ||
| 814 | P | 34.6 | Very low | 31.1 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -75.9 | 109.9 | 170.6 | 30.9 | -32.8 | 0 | 0 | 0 | 111.2 | ||||
| 815 | V | 29.2 | Very low | 31.1 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -133.2 | 86.1 | 165.8 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | N813 | N813-V815 PolarHBondContact O-N 3.15Š| ||
| 816 | S | 31.6 | Very low | 31 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -168.2 | 152.2 | 173.2 | 64.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 817 | V | 32.2 | Very low | 31.1 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 62% | 0.624 | 78% | 0.781 | S | S | * | * | cis | -135.2 | 135.3 | 4.7 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | N819 | V817-N819 HydrophobicContact CG1-CB 4.18Å; V817-N819 VanDerWaalsContact CG1-CG 3.46Å; V817-N819 WeakPolarHBondContact CG1-OD1 3.38Å | ||
| 818 | L | 33.5 | Very low | 31.1 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -106.8 | 90.2 | 162.6 | -124.4 | 175.2 | 0 | 0 | 0 | 108.5 | G820 | L818-G820 PolarHBondContact O-N 3.27Š| ||
| 819 | N | 32 | Very low | 31.4 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | -79.2 | 102.3 | -178 | -94.6 | -16.1 | 0 | 0 | 0 | 110.3 | V817 T821 | V817-N819 HydrophobicContact CG1-CB 4.18Å; V817-N819 VanDerWaalsContact CG1-CG 3.46Å; V817-N819 WeakPolarHBondContact CG1-OD1 3.38Å; N819-T821 PolarHBondContact O-N 3.33Å | ||
| 820 | G | 35.3 | Very low | 31.6 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -70.8 | 105.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | L818 L822 | L818-G820 PolarHBondContact O-N 3.27Å; G820-L822 PolarHBondContact O-N 3.09Å | ||
| 821 | T | 33.9 | Very low | 32 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -74 | 92.6 | 177.2 | 25.7 | 0 | 0 | 0 | 0 | 111.9 | N819 | N819-T821 PolarHBondContact O-N 3.33Š| ||
| 822 | L | 31.9 | Very low | 32.3 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -105.7 | 90.9 | 162.3 | -88.7 | 166.6 | 0 | 0 | 0 | 109.9 | G820 V824 | G820-L822 PolarHBondContact O-N 3.09Å; L822-V824 PolarHBondContact O-N 3.43Å | ||
| 823 | S | 32.6 | Very low | 32.6 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -73.9 | 110.5 | 174 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | T825 | S823-T825 PolarHBondContact O-N 2.94Š| ||
| 824 | V | 27.5 | Very low | 32.8 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -76.2 | 116.3 | 172.8 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | L822 | L822-V824 PolarHBondContact O-N 3.43Š| ||
| 825 | T | 33.4 | Very low | 32.9 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -106.5 | 128.8 | 162.4 | 33.5 | 0 | 0 | 0 | 0 | 109.9 | S823 | S823-T825 PolarHBondContact O-N 2.94Š| ||
| 826 | Q | 28.6 | Very low | 33.2 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -91.7 | 127.2 | -177.2 | -63.7 | 171.4 | -26.9 | 0 | 0 | 111.6 | ||||
| 827 | S | 32 | Very low | 33.4 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -168.6 | 130.6 | 141.1 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 828 | M | 31.1 | Very low | 33.6 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | 27.5 | 133.9 | 151.4 | -49.7 | 179.5 | -172 | 0 | 0 | 118.9 | ||||
| 829 | N | 33.8 | Very low | 34.3 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -155.6 | -177.3 | 39.1 | -155.5 | 8.5 | 0 | 0 | 0 | 113 | ||||
| 830 | E | 32.8 | Very low | 34.6 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 81% | 0.809 | S | S | * | * | trans | -97.4 | 175.2 | -159.5 | -44.2 | -178 | 131.5 | 0 | 0 | 118.6 | ||||
| 831 | Q | 36.1 | Very low | 35.1 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 76% | 0.757 | 84% | 0.836 | S | S | * | * | trans | 91.2 | 94.9 | 144.4 | -76.7 | 174.4 | 56.1 | 0 | 0 | 122.6 | ||||
| 832 | N | 35.7 | Very low | 35.2 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | 88.1 | 145 | 126.3 | -115.3 | 13.7 | 0 | 0 | 0 | 122.1 | |||||
| 833 | P | 37.6 | Very low | 35.3 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 69% | 0.688 | 83% | 0.833 | S | S | * | * | trans | -121.1 | 174.4 | -169.5 | 44.4 | -34 | 0 | 0 | 0 | 115.8 | ||||
| 834 | Q | 33 | Very low | 35.5 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -176 | 177.7 | 131.9 | -108.4 | -166.2 | 32.1 | 0 | 0 | 114.6 | ||||
| 835 | I | 37.2 | Very low | 36 | Very low | 151 Ų | 151 | 146.6 Ų | 146.6 | 77% | 0.774 | 84% | 0.839 | S | S | * | * | trans | 106.1 | 79.4 | 161.7 | -49.9 | -179.1 | 0 | 0 | 0 | 118.1 | ||||
| 836 | T | 36.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 68% | 0.681 | 84% | 0.84 | S | S | * | * | 59.1 | 109.2 | 113.8 | -48.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 837 | L | 34.1 | Very low | 36.6 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | trans | 36.3 | 134.8 | 132.1 | -53.5 | 172 | 0 | 0 | 0 | 120.4 | ||||
| 838 | S | 38.1 | Very low | 37 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 88% | 0.881 | 84% | 0.843 | S | S | * | * | 171.8 | 169.6 | 73.1 | 47.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 839 | G | 47.5 | Very low | 37.4 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | 124.1 | 100.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 840 | T | 37.7 | Very low | 37.7 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 87% | 0.871 | 84% | 0.839 | S | S | * | * | trans | -122.8 | 140.5 | -175 | 51 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 841 | S | 46.8 | Very low | 38.2 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 100% | 1.364 | 85% | 0.852 | S | S | * | * | trans | -152.9 | 0 | 132.4 | 67.6 | 0 | 0 | 0 | 0 | 110 |
Retrieved 841 of 841 residues in 898.2 ms
(Link to these results)