| 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 | 46.6 | Very low | 53.6 | Low | 249 Ų | 249 | 164.5 Ų | 164.5 | 100% | 1.227 | 87% | 0.87 | S | S | * | * | 0 | 148.4 | 0 | -72 | 170.9 | 171.1 | 0 | 0 | 108.6 | |||||
| 2 | T | 46.2 | Very low | 53.3 | Low | 145 Ų | 145 | 166.3 Ų | 166.3 | 89% | 0.89 | 87% | 0.871 | S | S | * | * | trans | -96.9 | 133.3 | -168.7 | 42.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | G | 50.2 | Low | 53.4 | Low | 78 Ų | 78 | 160.6 Ų | 160.6 | 80% | 0.804 | 86% | 0.862 | S | S | * | * | trans | -137.3 | 124.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | V | 57.3 | Low | 53.6 | Low | 135 Ų | 135 | 158.1 Ų | 158.1 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | -97.8 | 132.1 | -160.5 | 175.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 5 | V | 52.3 | Low | 53 | Low | 131 Ų | 131 | 158.8 Ų | 158.8 | 79% | 0.794 | 86% | 0.862 | S | S | * | * | trans | -68.1 | 129.2 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 6 | K | 61.5 | Low | 52.8 | Low | 192 Ų | 192 | 155 Ų | 155 | 84% | 0.835 | 86% | 0.858 | S | S | * | * | trans | -106.2 | 96.4 | 170.2 | -78.5 | -175.8 | 175.3 | 177.4 | 0 | 111.1 | ||||
| 7 | S | 61.8 | Low | 52.1 | Low | 111 Ų | 111 | 160.4 Ų | 160.4 | 78% | 0.776 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.3 | 169.5 | 55 | 0 | 0 | 0 | 0 | 111.1 | ||
| 8 | F | 54.6 | Low | 52 | Low | 207 Ų | 207 | 156.3 Ų | 156.3 | 91% | 0.908 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -86 | 136.9 | 170.8 | -117.8 | -93.1 | 0 | 0 | 0 | 111.4 | ||
| 9 | K | 57.8 | Low | 51.8 | Low | 192 Ų | 192 | 156.5 Ų | 156.5 | 84% | 0.835 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 121.6 | -167.5 | -168.9 | 166.7 | -176.7 | 170.5 | 0 | 111.3 | R11 | K9-R11 PolarHBondContact O-N 3Š|
| 10 | V | 51.1 | Low | 51.8 | Low | 129 Ų | 129 | 156.8 Ų | 156.8 | 78% | 0.782 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.3 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 11 | R | 50.1 | Low | 51.6 | Low | 240 Ų | 240 | 154.6 Ų | 154.6 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 118.5 | 162.8 | -76.4 | -174.2 | 171.6 | -171.5 | -2.6 | 108.6 | K9 | K9-R11 PolarHBondContact O-N 3Š|
| 12 | Q | 49.8 | Very low | 51.7 | Low | 187 Ų | 187 | 151.1 Ų | 151.1 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 143.4 | 162.7 | -70.8 | 173.6 | -30.2 | 0 | 0 | 109.1 | ||
| 13 | A | 55.6 | Low | 51.6 | Low | 92 Ų | 92 | 153.5 Ų | 153.5 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 146.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 14 | P | 55.5 | Low | 51.4 | Low | 125 Ų | 125 | 161.1 Ų | 161.1 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 154.7 | -174.4 | 31.8 | -35.7 | 0 | 0 | 0 | 113 | A16 | P14-A16 PolarHBondContact O-N 2.94Š|
| 15 | N | 44.2 | Very low | 51 | Low | 169 Ų | 169 | 160.2 Ų | 160.2 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124.9 | 172 | -72.8 | -42.6 | 0 | 0 | 0 | 111.2 | ||
| 16 | A | 49.7 | Very low | 50.4 | Low | 98 Ų | 98 | 163.2 Ų | 163.2 | 81% | 0.81 | 84% | 0.841 | S | S | * | * | trans | -112.2 | 107 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P14 | P14-A16 PolarHBondContact O-N 2.94Š| ||
| 17 | R | 41 | Very low | 49.8 | Very low | 247 Ų | 247 | 162.1 Ų | 162.1 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -78 | 124.3 | 168.5 | -81 | 178.3 | 166.3 | 171.6 | -6 | 108.9 | ||||
| 18 | A | 50 | Low | 49.1 | Very low | 87 Ų | 87 | 166.1 Ų | 166.1 | 72% | 0.719 | 85% | 0.845 | S | S | * | * | trans | -126.1 | 108.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 19 | N | 49.5 | Very low | 48.6 | Very low | 160 Ų | 160 | 162.1 Ų | 162.1 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | -77.2 | 121.5 | 170.7 | -72.3 | -18.3 | 0 | 0 | 0 | 108.4 | ||||
| 20 | L | 51.3 | Low | 47.9 | Very low | 161 Ų | 161 | 160.8 Ų | 160.8 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -110.8 | 116 | 169.9 | -81.2 | 164.5 | 0 | 0 | 0 | 108.7 | ||||
| 21 | P | 48.5 | Very low | 47.6 | Very low | 112 Ų | 112 | 164 Ų | 164 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | -74.2 | 142.5 | 178.3 | 30.4 | -33.7 | 0 | 0 | 0 | 111.1 | Q23 | P21-Q23 PolarHBondContact O-N 2.98Å; P21-Q23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | L | 47.3 | Very low | 47.2 | Very low | 176 Ų | 176 | 160.9 Ų | 160.9 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -70.4 | 100.4 | 174.5 | -79.6 | 159.6 | 0 | 0 | 0 | 110.7 | R24 | L22-R24 PolarHBondContact O-N 3.48Š| ||
| 23 | Q | 45.5 | Very low | 46.8 | Very low | 194 Ų | 194 | 161.4 Ų | 161.4 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | trans | -69.5 | 109.3 | 161.1 | -72.7 | -171.1 | -79.6 | 0 | 0 | 109.1 | P21 | P21-Q23 PolarHBondContact O-N 2.98Å; P21-Q23 VanDerWaalsContact O-N 3.09Å | ||
| 24 | R | 44.2 | Very low | 46.1 | Very low | 238 Ų | 238 | 165.3 Ų | 165.3 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -101 | 109.6 | 168.8 | -165.5 | 178.2 | -171.5 | -170.3 | 1.4 | 108.3 | L22 | L22-R24 PolarHBondContact O-N 3.48Š| ||
| 25 | S | 49.6 | Very low | 45.5 | Very low | 117 Ų | 117 | 165.6 Ų | 165.6 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -66.3 | 134.8 | 179.7 | 39.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 26 | K | 40.2 | Very low | 45.2 | Very low | 193 Ų | 193 | 162.5 Ų | 162.5 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -101 | 129 | 156 | -62 | -177.5 | 177 | -170.7 | 0 | 107.4 | ||||
| 27 | M | 48.8 | Very low | 44.9 | Very low | 169 Ų | 169 | 165.7 Ų | 165.7 | 83% | 0.833 | 82% | 0.823 | S | S | * | * | trans | -175.5 | 103.3 | 154.3 | -82.8 | -152.8 | 175.7 | 0 | 0 | 107.9 | ||||
| 28 | F | 46.8 | Very low | 44.8 | Very low | 195 Ų | 195 | 163.7 Ų | 163.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | 170.3 | 122.5 | 128 | -113.2 | -86.6 | 0 | 0 | 0 | 109.4 | |||||
| 29 | D | 43.7 | Very low | 44.1 | Very low | 124 Ų | 124 | 168 Ų | 168 | 66% | 0.663 | 82% | 0.82 | S | S | * | * | trans | -156.6 | 143 | -156.7 | -45.4 | -110.2 | 0 | 0 | 0 | 105.4 | ||||
| 30 | H | 44.4 | Very low | 43.5 | Very low | 164 Ų | 164 | 168.9 Ų | 168.9 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | cis | -97 | -116.9 | 7 | -66.7 | -135.5 | 0 | 0 | 0 | 111.4 | ||||
| 31 | E | 43.8 | Very low | 42.7 | Very low | 195 Ų | 195 | 166.7 Ų | 166.7 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | cis | -127.4 | 172.1 | 4.8 | -69.8 | 174 | 119.8 | 0 | 0 | 110.6 | ||||
| 32 | E | 42.1 | Very low | 42.2 | Very low | 175 Ų | 175 | 171.2 Ų | 171.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -124 | 152.9 | -163.2 | -58.8 | 173.7 | 144.8 | 0 | 0 | 113.3 | ||||
| 33 | E | 41.5 | Very low | 41.5 | Very low | 198 Ų | 198 | 169 Ų | 169 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -151.5 | 148.1 | 148.4 | -138 | 172.4 | -147.7 | 0 | 0 | 110.9 | ||||
| 34 | E | 39.8 | Very low | 41.1 | Very low | 175 Ų | 175 | 169.5 Ų | 169.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -87.1 | 155.7 | -168.3 | -58.8 | 179.7 | 103.5 | 0 | 0 | 111.8 | ||||
| 35 | T | 44 | Very low | 40.7 | Very low | 130 Ų | 130 | 163.1 Ų | 163.1 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | -170.3 | 137.8 | 68.8 | 27.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 36 | D | 37.3 | Very low | 40.2 | Very low | 105 Ų | 105 | 161.7 Ų | 161.7 | 56% | 0.561 | 78% | 0.784 | S | S | * | * | trans | 42.9 | 124.8 | 130.9 | -150.5 | 5.5 | 0 | 0 | 0 | 121.5 | R38 | D36-R38 WeakPolarHBondContact OD1-CG 3.42Å; D36-R38 IonicContact OD1-NE 2.64Å; D36-R38 IonicContact OD2-CZ 2.96Å; D36-R38 IonicContact OD2-NE 3.31Å; D36-R38 PolarHBondContact OD2-NE 3.1Å; D36-R38 VanDerWaalsContact OD2-NE 3.08Å; D36-R38 IonicContact OD2-NH2 3.66Å | ||
| 37 | N | 42.8 | Very low | 40.2 | Very low | 164 Ų | 164 | 160.5 Ų | 160.5 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -154.8 | 102.2 | 154.1 | -134.4 | -35.2 | 0 | 0 | 0 | 109.2 | ||||
| 38 | R | 40.6 | Very low | 39.8 | Very low | 205 Ų | 205 | 158.9 Ų | 158.9 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | -76.3 | 145.3 | -165.4 | -62.2 | -175.5 | -179.2 | -175.7 | -8.1 | 113.4 | D36 | D36-R38 WeakPolarHBondContact OD1-CG 3.42Å; D36-R38 IonicContact OD1-NE 2.64Å; D36-R38 IonicContact OD2-CZ 2.96Å; D36-R38 IonicContact OD2-NE 3.31Å; D36-R38 PolarHBondContact OD2-NE 3.1Å; D36-R38 VanDerWaalsContact OD2-NE 3.08Å; D36-R38 IonicContact OD2-NH2 3.66Å | ||
| 39 | Q | 34.8 | Very low | 39.4 | Very low | 177 Ų | 177 | 155 Ų | 155 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -64.1 | 142.5 | 167.4 | -62.7 | 171 | -12.3 | 0 | 0 | 110.6 | ||||
| 40 | Y | 36 | Very low | 39.1 | Very low | 180 Ų | 180 | 158.3 Ų | 158.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -122.7 | 108.2 | 157.3 | -160.9 | -91.2 | 0 | 0 | 0 | 109.4 | R42 | Y40-R42 HydrophobicContact CE1-CB 4.34Å; Y40-R42 HydrophobicContact CE1-CG 3.89Å; Y40-R42 PolarHBondContact OH-NE 2.92Å | ||
| 41 | T | 35.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 162.3 Ų | 162.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -108.1 | 132.6 | 172.4 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 42 | R | 36.9 | Very low | 38.5 | Very low | 207 Ų | 207 | 158.2 Ų | 158.2 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -132.1 | 111 | 164.2 | -103 | -171.9 | 174.5 | 168.3 | -0.5 | 109.4 | Y40 | Y40-R42 HydrophobicContact CE1-CB 4.34Å; Y40-R42 HydrophobicContact CE1-CG 3.89Å; Y40-R42 PolarHBondContact OH-NE 2.92Å | ||
| 43 | T | 32.3 | Very low | 38 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -82.8 | 144.1 | 169.2 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 44 | F | 38.3 | Very low | 37.7 | Very low | 205 Ų | 205 | 150.1 Ų | 150.1 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | -140.5 | 140.2 | 152.5 | -111.1 | -82.8 | 0 | 0 | 0 | 111.1 | ||||
| 45 | S | 35.2 | Very low | 37.3 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -88.5 | 168.6 | 169 | -142.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 46 | S | 38.4 | Very low | 36.8 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | cis | -164.5 | 151.4 | 19.1 | -158.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 47 | K | 41.1 | Very low | 36.6 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 74% | 0.735 | 80% | 0.795 | S | S | * | * | trans | 53.8 | 132.7 | 139.6 | -82.3 | -175.7 | 168.6 | -155.4 | 0 | 124.1 | ||||
| 48 | D | 40.1 | Very low | 36.1 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | 68 | 143.8 | 139 | -46.9 | -20.9 | 0 | 0 | 0 | 117.4 | ||||
| 49 | S | 39.1 | Very low | 35.9 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -142.7 | 165.9 | 13.9 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 50 | H | 37.3 | Very low | 36 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -60 | 145 | 175.9 | -47.1 | -95.4 | 0 | 0 | 0 | 115.1 | ||||
| 51 | R | 36 | Very low | 36.4 | Very low | 248 Ų | 248 | 143.4 Ų | 143.4 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -146.6 | 156.4 | 130.2 | -147.9 | 163.5 | -175.5 | 164.1 | 1.2 | 112 | ||||
| 52 | S | 39.3 | Very low | 37 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -88.9 | 158 | -163.8 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 53 | A | 31.5 | Very low | 37.7 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -61.6 | 147.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 54 | A | 34.4 | Very low | 39 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -146.1 | 138.2 | 155 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 55 | A | 32.3 | Very low | 40.2 | Very low | 109 Ų | 109 | 129 Ų | 129 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | trans | -83.8 | 128.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 56 | V | 34 | Very low | 41.7 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -137.8 | 145.4 | 165.2 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 57 | S | 31.6 | Very low | 42.8 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 116.6 | 179.7 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 58 | E | 33.6 | Very low | 43.9 | Very low | 183 Ų | 183 | 121.6 Ų | 121.6 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 127 | 174.9 | -68.7 | -176.3 | 150.2 | 0 | 0 | 111.3 | ||
| 59 | K | 35.2 | Very low | 44.8 | Very low | 181 Ų | 181 | 119.9 Ų | 119.9 | 79% | 0.787 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 130.7 | 162.1 | -61.1 | 171 | -175.4 | 171.8 | 0 | 106.3 | D61 | K59-D61 PolarHBondContact O-N 2.72Š|
| 60 | T | 38.3 | Very low | 45.6 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 77% | 0.767 | 69% | 0.694 | S | S | * | * | trans | -78.8 | 86.2 | 177.4 | 53 | 0 | 0 | 0 | 0 | 109.9 | V62 | T60-V62 PolarHBondContact O-N 3.28Š| ||
| 61 | D | 43.5 | Very low | 46.4 | Very low | 154 Ų | 154 | 113.5 Ų | 113.5 | 82% | 0.824 | 68% | 0.68 | S | S | * | * | trans | -73.8 | 75.9 | 170 | -70.8 | -33.7 | 0 | 0 | 0 | 109.6 | K59 | K59-D61 PolarHBondContact O-N 2.72Š| ||
| 62 | V | 48.8 | Very low | 47.1 | Very low | 76 Ų | 76 | 112.1 Ų | 112.1 | 46% | 0.461 | 68% | 0.676 | S | S | . | * | trans | -79.3 | 131.8 | 175 | -171.4 | 0 | 0 | 0 | 0 | 109 | T60 I64 E104 | T60-V62 PolarHBondContact O-N 3.28Å; V62-I64 PolarHBondContact O-N 3.09Å; V62-I64 VanDerWaalsContact O-N 3.1Å; V62-E104 WeakPolarHBondContact CG1-OE1 3.45Å | ||
| 63 | P | 52.2 | Low | 47.2 | Very low | 86 Ų | 86 | 110.4 Ų | 110.4 | 56% | 0.558 | 66% | 0.664 | S | S | * | * | trans | -66 | 111.4 | -174.7 | 26 | -34.8 | 0 | 0 | 0 | 111.9 | I65 | P63-I65 PolarHBondContact O-N 3.24Š| ||
| 64 | I | 59.1 | Low | 47.6 | Very low | 152 Ų | 152 | 112.9 Ų | 112.9 | 78% | 0.779 | 66% | 0.661 | S | S | * | * | trans | -72.1 | 95.5 | 177.2 | -56.6 | 177.6 | 0 | 0 | 0 | 109.3 | V62 A66 | V62-I64 PolarHBondContact O-N 3.09Å; V62-I64 VanDerWaalsContact O-N 3.1Å; I64-A66 PolarHBondContact O-N 3.48Å | ||
| 65 | I | 63.8 | Low | 47.6 | Very low | 40 Ų | 40 | 113.5 Ų | 113.5 | 21% | 0.205 | 66% | 0.655 | C | S | . | * | P | Polyproline II helix | trans | -57 | 126.2 | 172.9 | -50.3 | 178.6 | 0 | 0 | 0 | 109.2 | P63 I100 E104 A108 | P63-I65 PolarHBondContact O-N 3.24Å; I65-I100 HydrophobicContact CD1-CB 4.37Å; I65-I100 HydrophobicContact CD1-CD1 4.42Å; I65-I100 HydrophobicContact CD1-CG1 4.05Å; I65-I100 HydrophobicContact CD1-CG2 3.62Å; I65-E104 HydrophobicContact CD1-CB 3.72Å; I65-A108 HydrophobicContact CB-CB 3.92Å; I65-A108 HydrophobicContact CG2-CB 3.57Å |
| 66 | A | 65.7 | Low | 47.6 | Very low | 77 Ų | 77 | 119.4 Ų | 119.4 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 157.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I64 I68 | I64-A66 PolarHBondContact O-N 3.48Å; A66-I68 PolarHBondContact O-N 2.74Å |
| 67 | A | 62.1 | Low | 47.6 | Very low | 63 Ų | 63 | 125 Ų | 125 | 52% | 0.521 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 118.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R111 | A67-R111 HydrophobicContact CB-CB 4.39Š|
| 68 | I | 65 | Low | 47.8 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 32% | 0.323 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 122.1 | 179.4 | -55.9 | 175.8 | 0 | 0 | 0 | 108.3 | A66 Y105 A108 L109 G112 | A66-I68 PolarHBondContact O-N 2.74Å; I68-Y105 HydrophobicContact CD1-CD2 4.44Å; I68-Y105 HydrophobicContact CD1-CE2 4.05Å; I68-A108 HydrophobicContact CD1-CB 4.32Å; I68-A108 HydrophobicContact CG1-CB 4.37Å; I68-L109 HydrophobicContact CD1-CB 4.32Å; I68-G112 WeakPolarHBondContact O-CA 3.27Å |
| 69 | P | 59 | Low | 47.7 | Very low | 98 Ų | 98 | 119.5 Ų | 119.5 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 148.3 | -178.7 | 28.3 | -34.7 | 0 | 0 | 0 | 111.8 | S71 | P69-S71 PolarHBondContact O-N 3.03Š|
| 70 | D | 54.7 | Low | 47.8 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 48% | 0.476 | 66% | 0.664 | S | S | . | * | trans | -77 | 52.6 | -178.9 | -169 | 10.7 | 0 | 0 | 0 | 112.7 | Y72 S73 L113 | D70-Y72 PolarHBondContact O-N 3.41Å; D70-S73 WeakPolarHBondContact O-CB 3.24Å; D70-S73 PolarHBondContact O-N 2.99Å; D70-S73 PolarHBondContact O-OG 3.1Å; D70-S73 WeakPolarHBondContact OD2-CB 3.22Å; D70-L113 HydrophobicContact CB-CD2 4.35Å | ||
| 71 | S | 54.3 | Low | 48 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -11.9 | -177.4 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | P69 | P69-S71 PolarHBondContact O-N 3.03Š|
| 72 | Y | 49.8 | Very low | 48.1 | Very low | 219 Ų | 219 | 122.3 Ų | 122.3 | 86% | 0.859 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 0.6 | 176.3 | -120.1 | -92.9 | 0 | 0 | 0 | 114.2 | D70 I74 | D70-Y72 PolarHBondContact O-N 3.41Å; Y72-I74 PolarHBondContact O-N 2.99Å; Y72-I74 VanDerWaalsContact O-N 3.1Å |
| 73 | S | 42.5 | Very low | 47.7 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 51% | 0.51 | 69% | 0.689 | S | S | . | * | trans | -76.3 | 16.8 | 176.7 | 64.5 | 0 | 0 | 0 | 0 | 115 | D70 V75 | D70-S73 WeakPolarHBondContact O-CB 3.24Å; D70-S73 PolarHBondContact O-N 2.99Å; D70-S73 PolarHBondContact O-OG 3.1Å; D70-S73 WeakPolarHBondContact OD2-CB 3.22Å; S73-V75 PolarHBondContact O-N 3.44Å | ||
| 74 | I | 39.3 | Very low | 47.1 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 80% | 0.8 | 69% | 0.692 | S | S | * | * | trans | -75.6 | 65.7 | 177.2 | -49.7 | -177.6 | 0 | 0 | 0 | 110.7 | Y72 | Y72-I74 PolarHBondContact O-N 2.99Å; Y72-I74 VanDerWaalsContact O-N 3.1Å | ||
| 75 | V | 34.7 | Very low | 46.1 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 67% | 0.673 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -130.3 | 95.1 | 171.5 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | S73 | S73-V75 PolarHBondContact O-N 3.44Š|
| 76 | R | 32.8 | Very low | 45.4 | Very low | 234 Ų | 234 | 127.9 Ų | 127.9 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 67.8 | 80.8 | 162.8 | -54.2 | 174.8 | -175.8 | -162.2 | 0.1 | 117 | ||
| 77 | R | 34 | Very low | 44.3 | Very low | 246 Ų | 246 | 132.1 Ų | 132.1 | 93% | 0.928 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -154.3 | 125.6 | 141.7 | -121.2 | -175.3 | -61.5 | 165.5 | 5.5 | 110.8 | ||
| 78 | G | 34.5 | Very low | 43.7 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 76.1 | 121.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 79 | A | 33.2 | Very low | 42.9 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | trans | -109.6 | 80.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 80 | D | 37.1 | Very low | 41.9 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | -169.7 | 155 | 159.8 | -104.3 | -35 | 0 | 0 | 0 | 111.2 | ||||
| 81 | E | 43 | Very low | 41.4 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 61 | 122.8 | 172.8 | -60.5 | -165 | 174.4 | 0 | 0 | 120 | ||
| 82 | K | 44.9 | Very low | 41.3 | Very low | 193 Ų | 193 | 147.7 Ų | 147.7 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | 61.1 | 72 | 159.5 | -61 | 179.6 | -176.5 | 174.5 | 0 | 116.9 | G84 | K82-G84 PolarHBondContact O-N 2.99Å; K82-G84 VanDerWaalsContact O-N 3.1Å | ||
| 83 | L | 39.4 | Very low | 41.4 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 95% | 0.948 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 105 | 145.2 | -167.5 | 77.7 | 0 | 0 | 0 | 108 | ||||
| 84 | G | 39.7 | Very low | 42.1 | Very low | 61 Ų | 61 | 149.7 Ų | 149.7 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 151.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K82 L86 | K82-G84 PolarHBondContact O-N 2.99Å; K82-G84 VanDerWaalsContact O-N 3.1Å; G84-L86 PolarHBondContact O-N 3.38Å | ||
| 85 | S | 39.7 | Very low | 43.3 | Very low | 72 Ų | 72 | 146.8 Ų | 146.8 | 50% | 0.503 | 77% | 0.768 | S | S | . | * | trans | -58 | 127.6 | -179.6 | 34.4 | 0 | 0 | 0 | 0 | 111.5 | E87 | S85-E87 PolarHBondContact O-N 2.7Š| ||
| 86 | L | 47.2 | Very low | 45.1 | Very low | 157 Ų | 157 | 146 Ų | 146 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -0.4 | 176.5 | -160.7 | 68.8 | 0 | 0 | 0 | 113 | G84 | G84-L86 PolarHBondContact O-N 3.38Š|
| 87 | E | 44.6 | Very low | 47.1 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -0.7 | -172.1 | -63.1 | 169.1 | 132.4 | 0 | 0 | 112.8 | S85 L89 | S85-E87 PolarHBondContact O-N 2.7Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.23Å |
| 88 | E | 47.5 | Very low | 49.2 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | -84.7 | 10.3 | 174.8 | -109.1 | 178.2 | 168.5 | 0 | 0 | 113.9 | E90 | E88-E90 PolarHBondContact O-N 3.37Å; E88-E90 VanDerWaalsContact O-N 3.17Å | ||
| 89 | L | 48.5 | Very low | 51.3 | Low | 120 Ų | 120 | 138.4 Ų | 138.4 | 63% | 0.628 | 73% | 0.73 | S | S | * | * | trans | -83.9 | 39.2 | 172.3 | -66.4 | 175.9 | 0 | 0 | 0 | 112.5 | E87 S91 | E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.23Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 3.1Å | ||
| 90 | E | 38.2 | Very low | 53.3 | Low | 178 Ų | 178 | 136.3 Ų | 136.3 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 64.8 | -177.9 | -63.3 | -162.5 | 126.7 | 0 | 0 | 113 | E88 | E88-E90 PolarHBondContact O-N 3.37Å; E88-E90 VanDerWaalsContact O-N 3.17Å |
| 91 | S | 43.9 | Very low | 55.3 | Low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.6 | 48 | 153.7 | 35.4 | 0 | 0 | 0 | 0 | 114.6 | L89 Q93 | L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 3.1Å; S91-Q93 PolarHBondContact O-N 2.8Å |
| 92 | E | 53.6 | Low | 57.1 | Low | 160 Ų | 160 | 130.2 Ų | 130.2 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -72.5 | 26.7 | 168.3 | -62.2 | -164.6 | 153.2 | 0 | 0 | 114 | ||||
| 93 | Q | 52 | Low | 58.7 | Low | 169 Ų | 169 | 128 Ų | 128 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -126.6 | 133.8 | 179.2 | -62.4 | 179.9 | 16.3 | 0 | 0 | 108.3 | S91 | S91-Q93 PolarHBondContact O-N 2.8Š|
| 94 | D | 56.1 | Low | 60.7 | Low | 166 Ų | 166 | 121.2 Ų | 121.2 | 89% | 0.888 | 64% | 0.642 | S | S | * | * | trans | 63.9 | 43.8 | -177.2 | -58.1 | -15.7 | 0 | 0 | 0 | 116.8 | D96 | D94-D96 PolarHBondContact O-N 2.94Š| ||
| 95 | I | 65.7 | Low | 62.7 | Low | 94 Ų | 94 | 124.6 Ų | 124.6 | 48% | 0.482 | 64% | 0.636 | S | S | . | * | trans | -74.7 | 101.4 | 158.1 | -57.5 | 177.1 | 0 | 0 | 0 | 108.7 | Y97 | I95-Y97 HydrophobicContact CB-CD2 4.43Å; I95-Y97 HydrophobicContact CB-CE2 3.91Å; I95-Y97 HydrophobicContact CG2-CD1 4.37Å; I95-Y97 HydrophobicContact CG2-CD2 4.08Å; I95-Y97 HydrophobicContact CG2-CE1 4Å; I95-Y97 HydrophobicContact CG2-CE2 3.69Å; I95-Y97 HydrophobicContact CG2-CG 4.4Å; I95-Y97 WeakPolarHBondContact O-CD2 3.41Å; I95-Y97 PolarHBondContact O-N 2.97Å | ||
| 96 | D | 72 | Confident | 64.7 | Low | 94 Ų | 94 | 122.8 Ų | 122.8 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | trans | -75.5 | 88.7 | 177.1 | -176.1 | -6.5 | 0 | 0 | 0 | 111.7 | D94 D98 S99 | D94-D96 PolarHBondContact O-N 2.94Å; D96-D98 VanDerWaalsContact C-N 3.29Å; D96-D98 PolarHBondContact O-N 3.41Å; D96-D98 PolarHBondContact OD1-N 3.19Å; D96-S99 PolarHBondContact O-N 3.41Å; D96-S99 PolarHBondContact O-OG 3.05Å; D96-S99 PolarHBondContact OD1-N 2.86Å | ||
| 97 | Y | 74.2 | Confident | 66.4 | Low | 171 Ų | 171 | 118.3 Ų | 118.3 | 67% | 0.671 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -67.7 | -23.3 | 174.5 | -67.2 | -81.6 | 0 | 0 | 0 | 114 | I95 S99 I100 | I95-Y97 HydrophobicContact CB-CD2 4.43Å; I95-Y97 HydrophobicContact CB-CE2 3.91Å; I95-Y97 HydrophobicContact CG2-CD1 4.37Å; I95-Y97 HydrophobicContact CG2-CD2 4.08Å; I95-Y97 HydrophobicContact CG2-CE1 4Å; I95-Y97 HydrophobicContact CG2-CE2 3.69Å; I95-Y97 HydrophobicContact CG2-CG 4.4Å; I95-Y97 WeakPolarHBondContact O-CD2 3.41Å; I95-Y97 PolarHBondContact O-N 2.97Å; Y97-S99 VanDerWaalsContact C-N 3.29Å; Y97-I100 PolarHBondContact O-N 2.88Å |
| 98 | D | 78.6 | Confident | 68.1 | Low | 164 Ų | 164 | 110.5 Ų | 110.5 | 88% | 0.877 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -74.7 | -23.5 | 179.4 | -72.7 | -25.8 | 0 | 0 | 0 | 111.3 | D96 I100 | D96-D98 VanDerWaalsContact C-N 3.29Å; D96-D98 PolarHBondContact O-N 3.41Å; D96-D98 PolarHBondContact OD1-N 3.19Å; D98-I100 VanDerWaalsContact C-N 3.32Å; D98-I100 PolarHBondContact O-N 3.26Å |
| 99 | S | 78.2 | Confident | 69.8 | Low | 66 Ų | 66 | 105.7 Ų | 105.7 | 46% | 0.462 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -72.2 | -17.1 | 173 | 76.5 | 0 | 0 | 0 | 0 | 115.1 | D96 Y97 | D96-S99 PolarHBondContact O-N 3.41Å; D96-S99 PolarHBondContact O-OG 3.05Å; D96-S99 PolarHBondContact OD1-N 2.86Å; Y97-S99 VanDerWaalsContact C-N 3.29Å |
| 100 | I | 75.4 | Confident | 71.4 | Confident | 58 Ų | 58 | 103.6 Ų | 103.6 | 30% | 0.297 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -109.5 | 111.2 | -172.8 | -69.8 | 172.2 | 0 | 0 | 0 | 110.6 | I65 Y97 D98 V102 | I65-I100 HydrophobicContact CD1-CB 4.37Å; I65-I100 HydrophobicContact CD1-CD1 4.42Å; I65-I100 HydrophobicContact CD1-CG1 4.05Å; I65-I100 HydrophobicContact CD1-CG2 3.62Å; Y97-I100 PolarHBondContact O-N 2.88Å; D98-I100 VanDerWaalsContact C-N 3.32Å; D98-I100 PolarHBondContact O-N 3.26Å; I100-V102 PolarHBondContact O-N 2.95Å |
| 101 | P | 79.8 | Confident | 73.6 | Confident | 62 Ų | 62 | 98.9 Ų | 98.9 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | trans | -60.7 | 134.7 | 171.6 | -20.8 | 32.2 | 0 | 0 | 0 | 111 | E103 E104 Y105 | P101-E103 PolarHBondContact O-N 3.24Å; P101-E103 VanDerWaalsContact O-N 3.09Å; P101-E104 HydrophobicContact CB-CG 4.14Å; P101-E104 HydrophobicContact CG-CG 4.31Å; P101-E104 PolarHBondContact O-N 3.17Å; P101-Y105 PolarHBondContact O-N 2.87Å | ||
| 102 | V | 79.4 | Confident | 75.4 | Confident | 137 Ų | 137 | 95.4 Ų | 95.4 | 83% | 0.83 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -55.6 | -32.5 | -179.2 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | I100 E104 | I100-V102 PolarHBondContact O-N 2.95Å; V102-E104 VanDerWaalsContact C-N 3.27Å; V102-E104 PolarHBondContact O-N 3.15Å |
| 103 | E | 80 | Confident | 76.6 | Confident | 146 Ų | 146 | 92.8 Ų | 92.8 | 68% | 0.682 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -27.9 | 174.2 | -62.8 | -169.9 | -165 | 0 | 0 | 114.1 | P101 K107 | P101-E103 PolarHBondContact O-N 3.24Å; P101-E103 VanDerWaalsContact O-N 3.09Å; E103-K107 VanDerWaalsContact O-CD 3.24Å; E103-K107 WeakPolarHBondContact O-CD 3.26Å; E103-K107 WeakPolarHBondContact O-CE 3.18Å; E103-K107 VanDerWaalsContact O-CG 3.22Å; E103-K107 WeakPolarHBondContact O-CG 3.41Å; E103-K107 IonicContact OE2-NZ 3.08Å; E103-K107 PolarHBondContact OE2-NZ 3.3Å |
| 104 | E | 80.8 | Confident | 77.9 | Confident | 39 Ų | 39 | 88 Ų | 88 | 18% | 0.182 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -90.4 | -33.9 | -174.7 | -63.2 | -165.3 | 151.9 | 0 | 0 | 112.5 | V62 I65 P101 V102 G106 K107 A108 | V62-E104 WeakPolarHBondContact CG1-OE1 3.45Å; I65-E104 HydrophobicContact CD1-CB 3.72Å; P101-E104 HydrophobicContact CB-CG 4.14Å; P101-E104 HydrophobicContact CG-CG 4.31Å; P101-E104 PolarHBondContact O-N 3.17Å; V102-E104 VanDerWaalsContact C-N 3.27Å; V102-E104 PolarHBondContact O-N 3.15Å; E104-G106 VanDerWaalsContact C-N 3.3Å; E104-G106 PolarHBondContact O-N 3.08Å; E104-K107 CarbonylContact O-C 3.57Å; E104-K107 PolarHBondContact O-N 3.47Å; E104-K107 VanDerWaalsContact O-N 3.1Å; E104-A108 WeakPolarHBondContact O-CB 3.16Å; E104-A108 PolarHBondContact O-N 3.17Å |
| 105 | Y | 81.8 | Confident | 78.9 | Confident | 132 Ų | 132 | 83.6 Ų | 83.6 | 52% | 0.518 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -54.5 | -46.7 | 171.2 | 179.9 | -97.1 | 0 | 0 | 0 | 111.7 | I68 P101 K107 A108 L109 | I68-Y105 HydrophobicContact CD1-CD2 4.44Å; I68-Y105 HydrophobicContact CD1-CE2 4.05Å; P101-Y105 PolarHBondContact O-N 2.87Å; Y105-K107 PolarHBondContact O-N 3.5Å; Y105-A108 PolarHBondContact O-N 3Å; Y105-L109 PolarHBondContact O-N 2.74Å |
| 106 | G | 81.1 | Confident | 79.6 | Confident | 34 Ų | 34 | 82.4 Ų | 82.4 | 35% | 0.351 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E104 L110 | E104-G106 VanDerWaalsContact C-N 3.3Å; E104-G106 PolarHBondContact O-N 3.08Å; G106-L110 WeakPolarHBondContact O-CB 3.33Å; G106-L110 VanDerWaalsContact O-CG 3.28Å; G106-L110 WeakPolarHBondContact O-CG 3.44Å; G106-L110 PolarHBondContact O-N 3.36Å; G106-L110 VanDerWaalsContact O-N 3.09Å |
| 107 | K | 82.2 | Confident | 79.8 | Confident | 63 Ų | 63 | 84 Ų | 84 | 27% | 0.274 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 174.9 | -66.2 | 163 | -160.5 | 160.7 | 0 | 111.2 | E103 E104 Y105 L110 R111 | E103-K107 VanDerWaalsContact O-CD 3.24Å; E103-K107 WeakPolarHBondContact O-CD 3.26Å; E103-K107 WeakPolarHBondContact O-CE 3.18Å; E103-K107 VanDerWaalsContact O-CG 3.22Å; E103-K107 WeakPolarHBondContact O-CG 3.41Å; E103-K107 IonicContact OE2-NZ 3.08Å; E103-K107 PolarHBondContact OE2-NZ 3.3Å; E104-K107 CarbonylContact O-C 3.57Å; E104-K107 PolarHBondContact O-N 3.47Å; E104-K107 VanDerWaalsContact O-N 3.1Å; Y105-K107 PolarHBondContact O-N 3.5Å; K107-L110 PolarHBondContact O-N 2.83Å; K107-R111 WeakPolarHBondContact O-CB 3.17Å; K107-R111 WeakPolarHBondContact O-CD 3.49Å; K107-R111 WeakPolarHBondContact O-CG 3.48Å; K107-R111 PolarHBondContact O-N 3.43Å |
| 108 | A | 82 | Confident | 79.8 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I65 I68 E104 Y105 R111 G112 | I65-A108 HydrophobicContact CB-CB 3.92Å; I65-A108 HydrophobicContact CG2-CB 3.57Å; I68-A108 HydrophobicContact CD1-CB 4.32Å; I68-A108 HydrophobicContact CG1-CB 4.37Å; E104-A108 WeakPolarHBondContact O-CB 3.16Å; E104-A108 PolarHBondContact O-N 3.17Å; Y105-A108 PolarHBondContact O-N 3Å; A108-R111 PolarHBondContact O-N 3.24Å; A108-G112 PolarHBondContact O-N 3.22Å |
| 109 | L | 82.9 | Confident | 79.6 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 37% | 0.366 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 173.8 | -172.3 | 148.1 | 0 | 0 | 0 | 111.5 | I68 Y105 R111 G112 L113 | I68-L109 HydrophobicContact CD1-CB 4.32Å; Y105-L109 PolarHBondContact O-N 2.74Å; L109-R111 PolarHBondContact O-N 3.1Å; L109-G112 WeakPolarHBondContact O-CA 3.39Å; L109-G112 PolarHBondContact O-N 2.92Å; L109-G112 VanDerWaalsContact O-N 3.17Å; L109-L113 HydrophobicContact CD2-CD1 3.85Å; L109-L113 PolarHBondContact O-N 3.01Å; L109-L113 VanDerWaalsContact O-N 3.08Å |
| 110 | L | 82.1 | Confident | 79.2 | Confident | 76 Ų | 76 | 71 Ų | 71 | 40% | 0.398 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 174.2 | -73.8 | 171.7 | 0 | 0 | 0 | 112.5 | G106 K107 G112 L113 G114 W115 | G106-L110 WeakPolarHBondContact O-CB 3.33Å; G106-L110 VanDerWaalsContact O-CG 3.28Å; G106-L110 WeakPolarHBondContact O-CG 3.44Å; G106-L110 PolarHBondContact O-N 3.36Å; G106-L110 VanDerWaalsContact O-N 3.09Å; K107-L110 PolarHBondContact O-N 2.83Å; L110-G112 VanDerWaalsContact C-N 3.3Å; L110-G112 PolarHBondContact O-N 3.15Å; L110-L113 CarbonylContact O-C 3.47Å; L110-L113 PolarHBondContact O-N 3.35Å; L110-L113 VanDerWaalsContact O-N 3.15Å; L110-G114 PolarHBondContact O-N 3.17Å; L110-W115 HydrophobicContact CB-CB 4.13Å; L110-W115 HydrophobicContact CB-CD2 4.21Å; L110-W115 HydrophobicContact CB-CE3 3.74Å; L110-W115 HydrophobicContact CB-CG 4.41Å; L110-W115 HydrophobicContact CD1-CE3 4.29Å; L110-W115 WeakPolarHBondContact O-CB 3.47Å; L110-W115 PolarHBondContact O-N 3.25Å |
| 111 | R | 83.4 | Confident | 78.8 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 171.9 | -71.7 | 163.6 | -172.6 | 170.9 | 1.7 | 111.6 | A67 K107 A108 L109 L113 G114 W115 E117 | A67-R111 HydrophobicContact CB-CB 4.39Å; K107-R111 WeakPolarHBondContact O-CB 3.17Å; K107-R111 WeakPolarHBondContact O-CD 3.49Å; K107-R111 WeakPolarHBondContact O-CG 3.48Å; K107-R111 PolarHBondContact O-N 3.43Å; A108-R111 PolarHBondContact O-N 3.24Å; L109-R111 PolarHBondContact O-N 3.1Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 3.22Å; R111-G114 PolarHBondContact O-N 2.82Å; R111-G114 VanDerWaalsContact O-N 3.09Å; R111-W115 WeakPolarHBondContact CA-O 3.49Å; R111-E117 IonicContact CZ-OE1 3.63Å; R111-E117 IonicContact NE-OE1 3.63Å; R111-E117 IonicContact NH2-OE1 2.72Å; R111-E117 PolarHBondContact NH2-OE1 3.45Å |
| 112 | G | 82.2 | Confident | 78.2 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 26% | 0.258 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -55.6 | -43.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I68 A108 L109 L110 G114 | I68-G112 WeakPolarHBondContact O-CA 3.27Å; A108-G112 PolarHBondContact O-N 3.22Å; L109-G112 WeakPolarHBondContact O-CA 3.39Å; L109-G112 PolarHBondContact O-N 2.92Å; L109-G112 VanDerWaalsContact O-N 3.17Å; L110-G112 VanDerWaalsContact C-N 3.3Å; L110-G112 PolarHBondContact O-N 3.15Å; G112-G114 PolarHBondContact O-N 3.08Å |
| 113 | L | 79.4 | Confident | 77.6 | Confident | 105 Ų | 105 | 78 Ų | 78 | 55% | 0.55 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 12 | 176.2 | -60.6 | 174.5 | 0 | 0 | 0 | 113.9 | D70 L109 L110 R111 | D70-L113 HydrophobicContact CB-CD2 4.35Å; L109-L113 HydrophobicContact CD2-CD1 3.85Å; L109-L113 PolarHBondContact O-N 3.01Å; L109-L113 VanDerWaalsContact O-N 3.08Å; L110-L113 CarbonylContact O-C 3.47Å; L110-L113 PolarHBondContact O-N 3.35Å; L110-L113 VanDerWaalsContact O-N 3.15Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 3.22Å |
| 114 | G | 77.6 | Confident | 77.1 | Confident | 68 Ų | 68 | 78 Ų | 78 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 14.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L110 R111 G112 | L110-G114 PolarHBondContact O-N 3.17Å; R111-G114 PolarHBondContact O-N 2.82Å; R111-G114 VanDerWaalsContact O-N 3.09Å; G112-G114 PolarHBondContact O-N 3.08Å |
| 115 | W | 78.7 | Confident | 76 | Confident | 74 Ų | 74 | 80.8 Ų | 80.8 | 28% | 0.28 | 47% | 0.467 | S | S | . | . | trans | -83.8 | 146.4 | 171.1 | 178.8 | 86 | 0 | 0 | 0 | 111.4 | L110 R111 E117 | L110-W115 HydrophobicContact CB-CB 4.13Å; L110-W115 HydrophobicContact CB-CD2 4.21Å; L110-W115 HydrophobicContact CB-CE3 3.74Å; L110-W115 HydrophobicContact CB-CG 4.41Å; L110-W115 HydrophobicContact CD1-CE3 4.29Å; L110-W115 WeakPolarHBondContact O-CB 3.47Å; L110-W115 PolarHBondContact O-N 3.25Å; R111-W115 WeakPolarHBondContact CA-O 3.49Å; W115-E117 HydrophobicContact CH2-CB 4.42Å; W115-E117 HydrophobicContact CH2-CG 3.62Å; W115-E117 HydrophobicContact CZ3-CG 3.81Å | ||
| 116 | S | 79.7 | Confident | 75.4 | Confident | 69 Ų | 69 | 82.8 Ų | 82.8 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | trans | -136.6 | 157.5 | 173.1 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | G118 A119 | S116-G118 PolarHBondContact O-N 2.96Å; S116-A119 WeakPolarHBondContact O-CB 3.24Å; S116-A119 PolarHBondContact O-N 3.15Å | ||
| 117 | E | 76.4 | Confident | 74.8 | Confident | 126 Ų | 126 | 87.2 Ų | 87.2 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 118.8 | -175.7 | -73.2 | 160.4 | -131.6 | 0 | 0 | 110.6 | R111 W115 | R111-E117 IonicContact CZ-OE1 3.63Å; R111-E117 IonicContact NE-OE1 3.63Å; R111-E117 IonicContact NH2-OE1 2.72Å; R111-E117 PolarHBondContact NH2-OE1 3.45Å; W115-E117 HydrophobicContact CH2-CB 4.42Å; W115-E117 HydrophobicContact CH2-CG 3.62Å; W115-E117 HydrophobicContact CZ3-CG 3.81Å |
| 118 | G | 74.7 | Confident | 74.2 | Confident | 62 Ų | 62 | 88.9 Ų | 88.9 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -3.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S116 V128 | S116-G118 PolarHBondContact O-N 2.96Å; G118-V128 VanDerWaalsContact O-CG2 3.26Å; G118-V128 WeakPolarHBondContact O-CG2 3.46Å |
| 119 | A | 73.6 | Confident | 73.4 | Confident | 36 Ų | 36 | 94.3 Ų | 94.3 | 30% | 0.298 | 54% | 0.538 | S | S | . | . | trans | -71.3 | 131.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S116 | S116-A119 WeakPolarHBondContact O-CB 3.24Å; S116-A119 PolarHBondContact O-N 3.15Å | ||
| 120 | A | 69.9 | Low | 72.9 | Confident | 32 Ų | 32 | 99.8 Ų | 99.8 | 26% | 0.264 | 56% | 0.559 | S | S | . | * | trans | -78.2 | 141.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K126 V128 | A120-K126 VanDerWaalsContact CB-CA 3.5Å; A120-K126 HydrophobicContact CB-CB 3.99Å; A120-V128 HydrophobicContact CB-CG2 4.17Å | ||
| 121 | I | 67.4 | Low | 72.6 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 73% | 0.733 | 58% | 0.577 | S | S | * | * | trans | -92.3 | 109.8 | -175.2 | -59.4 | 173 | 0 | 0 | 0 | 109.9 | ||||
| 122 | G | 67.1 | Low | 72.4 | Confident | 45 Ų | 45 | 105.7 Ų | 105.7 | 46% | 0.464 | 60% | 0.6 | S | S | . | * | trans | 137.3 | 150.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 123 | K | 67.5 | Low | 72.2 | Confident | 214 Ų | 214 | 112.6 Ų | 112.6 | 93% | 0.93 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -72.2 | -33.8 | 179.8 | -66.1 | -178.4 | 179.4 | 178.1 | 0 | 113.1 | ||
| 124 | T | 68.7 | Low | 72.2 | Confident | 146 Ų | 146 | 112.9 Ų | 112.9 | 90% | 0.896 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -104.3 | -29.1 | -166.7 | -40 | 0 | 0 | 0 | 0 | 114.1 | ||
| 125 | N | 58.3 | Low | 72.2 | Confident | 98 Ų | 98 | 118.5 Ų | 118.5 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | trans | -134.1 | 106.2 | -177.7 | -170.2 | 1.4 | 0 | 0 | 0 | 110.4 | Q127 | N125-Q127 VanDerWaalsContact C-N 3.32Å; N125-Q127 PolarHBondContact O-N 2.72Å; N125-Q127 VanDerWaalsContact O-N 3.14Å; N125-Q127 WeakPolarHBondContact OD1-CG 3.41Å | ||
| 126 | K | 68.6 | Low | 72.2 | Confident | 175 Ų | 175 | 120.8 Ų | 120.8 | 76% | 0.761 | 67% | 0.669 | S | S | * | * | trans | -89.3 | 60.1 | -173.6 | -64.1 | -175.5 | 179.9 | -177.4 | 0 | 112 | A120 | A120-K126 VanDerWaalsContact CB-CA 3.5Å; A120-K126 HydrophobicContact CB-CB 3.99Å | ||
| 127 | Q | 68.5 | Low | 72.1 | Confident | 126 Ų | 126 | 123.6 Ų | 123.6 | 59% | 0.589 | 67% | 0.669 | S | S | * | * | trans | -107.9 | 133.8 | 174.8 | -72.3 | -180 | -10.6 | 0 | 0 | 112.1 | N125 V129 | N125-Q127 VanDerWaalsContact C-N 3.32Å; N125-Q127 PolarHBondContact O-N 2.72Å; N125-Q127 VanDerWaalsContact O-N 3.14Å; N125-Q127 WeakPolarHBondContact OD1-CG 3.41Å; Q127-V129 HydrophobicContact CB-CG2 4.49Å; Q127-V129 PolarHBondContact O-N 3.02Å | ||
| 128 | V | 68.5 | Low | 72.2 | Confident | 99 Ų | 99 | 121.1 Ų | 121.1 | 60% | 0.6 | 66% | 0.664 | S | S | * | * | trans | -81.5 | 90.3 | 170.6 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | G118 A120 K130 | G118-V128 VanDerWaalsContact O-CG2 3.26Å; G118-V128 WeakPolarHBondContact O-CG2 3.46Å; A120-V128 HydrophobicContact CB-CG2 4.17Å; V128-K130 PolarHBondContact O-N 3.37Å | ||
| 129 | V | 67.2 | Low | 72.5 | Confident | 114 Ų | 114 | 128.4 Ų | 128.4 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 120.1 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | Q127 | Q127-V129 HydrophobicContact CB-CG2 4.49Å; Q127-V129 PolarHBondContact O-N 3.02Å |
| 130 | K | 72.1 | Confident | 72.8 | Confident | 184 Ų | 184 | 131 Ų | 131 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141 | 170.5 | -66.3 | -173.5 | 176.8 | -172.7 | 0 | 109.5 | V128 I132 | V128-K130 PolarHBondContact O-N 3.37Å; K130-I132 PolarHBondContact O-N 3.4Å |
| 131 | V | 75.1 | Confident | 73.1 | Confident | 129 Ų | 129 | 131.9 Ų | 131.9 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -56 | 130.7 | 174.8 | -180 | 0 | 0 | 0 | 0 | 109.1 | E133 | V131-E133 PolarHBondContact O-N 2.97Å; V131-E133 VanDerWaalsContact O-N 3.09Å |
| 132 | I | 78.5 | Confident | 73.7 | Confident | 150 Ų | 150 | 127.1 Ų | 127.1 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | -82.2 | 88.6 | 177.7 | -55.4 | 177.4 | 0 | 0 | 0 | 107.6 | K130 S134 | K130-I132 PolarHBondContact O-N 3.4Å; I132-S134 PolarHBondContact O-N 3.26Å | ||
| 133 | E | 78.7 | Confident | 74.1 | Confident | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | trans | -63.4 | 114.4 | 171.2 | -70.1 | 176.9 | -167.1 | 0 | 0 | 109.5 | V131 E135 | V131-E133 PolarHBondContact O-N 2.97Å; V131-E133 VanDerWaalsContact O-N 3.09Å; E133-E135 PolarHBondContact O-N 3.29Å; E133-E135 VanDerWaalsContact O-N 3.13Å | ||
| 134 | S | 78.5 | Confident | 74.6 | Confident | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -83.2 | 87.6 | -175.9 | 58 | 0 | 0 | 0 | 0 | 111.1 | I132 P136 | I132-S134 PolarHBondContact O-N 3.26Å; S134-P136 WeakPolarHBondContact O-CD 3.37Å | ||
| 135 | E | 79.4 | Confident | 75 | Confident | 185 Ų | 185 | 122.5 Ų | 122.5 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 119.9 | 172.3 | -72 | -166.8 | 163 | 0 | 0 | 110.6 | E133 R137 | E133-E135 PolarHBondContact O-N 3.29Å; E133-E135 VanDerWaalsContact O-N 3.13Å; E135-R137 PolarHBondContact O-N 3.04Å |
| 136 | P | 76.9 | Confident | 75.5 | Confident | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 124.8 | -177.3 | 26.8 | -33.4 | 0 | 0 | 0 | 110.8 | S134 | S134-P136 WeakPolarHBondContact O-CD 3.37Š|
| 137 | R | 79.4 | Confident | 75.5 | Confident | 128 Ų | 128 | 117.3 Ų | 117.3 | 48% | 0.483 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 130.7 | 178 | -178.4 | -178.7 | -116.7 | -114.7 | -4.3 | 110.2 | E135 K139 L141 G142 A145 | E135-R137 PolarHBondContact O-N 3.04Å; R137-K139 PolarHBondContact O-N 2.98Å; R137-L141 PolarHBondContact NH1-O 3.27Å; R137-G142 PolarHBondContact NH1-O 3.49Å; R137-A145 PolarHBondContact NH1-O 3.39Å; R137-A145 PolarHBondContact NH2-O 3.32Å |
| 138 | P | 77.3 | Confident | 75.3 | Confident | 74 Ų | 74 | 120.7 Ų | 120.7 | 48% | 0.481 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 131.2 | -178.6 | 21.9 | -33.3 | 0 | 0 | 0 | 111.9 | L141 V147 | P138-L141 HydrophobicContact CG-CD2 4.45Å; P138-L141 PolarHBondContact O-N 3.47Å; P138-V147 HydrophobicContact CG-CG2 4.11Å |
| 139 | K | 81.6 | Confident | 74.9 | Confident | 215 Ų | 215 | 119.9 Ų | 119.9 | 94% | 0.935 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 139.4 | 179.8 | -65.6 | -177 | 178.5 | -178.3 | 0 | 110.6 | R137 | R137-K139 PolarHBondContact O-N 2.98Š|
| 140 | G | 80 | Confident | 74.1 | Confident | 89 Ų | 89 | 124.2 Ų | 124.2 | 92% | 0.918 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89 | -6.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G142 | G140-G142 PolarHBondContact O-N 2.86Š|
| 141 | L | 76.5 | Confident | 72.5 | Confident | 52 Ų | 52 | 120.5 Ų | 120.5 | 27% | 0.272 | 70% | 0.698 | S | S | . | * | trans | -85.4 | 105.8 | 174.4 | -170.2 | 71.5 | 0 | 0 | 0 | 111.2 | R137 P138 A145 V147 | R137-L141 PolarHBondContact NH1-O 3.27Å; P138-L141 HydrophobicContact CG-CD2 4.45Å; P138-L141 PolarHBondContact O-N 3.47Å; L141-A145 HydrophobicContact CD1-CB 3.58Å; L141-A145 HydrophobicContact CG-CB 3.99Å; L141-V147 HydrophobicContact CD2-CB 4.33Å; L141-V147 HydrophobicContact CD2-CG2 3.41Å; L141-V147 VanDerWaalsContact CD2-CG2 3.41Å | ||
| 142 | G | 78.9 | Confident | 71 | Confident | 43 Ų | 43 | 123.2 Ų | 123.2 | 44% | 0.443 | 70% | 0.699 | S | S | . | * | trans | -60.7 | 160.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R137 G140 A145 | R137-G142 PolarHBondContact NH1-O 3.49Å; G140-G142 PolarHBondContact O-N 2.86Å; G142-A145 WeakPolarHBondContact O-CB 3.3Å; G142-A145 PolarHBondContact O-N 3.34Å; G142-A145 VanDerWaalsContact O-N 3.11Å | ||
| 143 | L | 76.3 | Confident | 69.2 | Low | 177 Ų | 177 | 122.9 Ų | 122.9 | 93% | 0.927 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 139 | 170.5 | -61.9 | 175.3 | 0 | 0 | 0 | 109.5 | A145 | L143-A145 PolarHBondContact O-N 3.09Š|
| 144 | G | 76.7 | Confident | 67.5 | Low | 89 Ų | 89 | 123 Ų | 123 | 92% | 0.918 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.8 | -21 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 145 | A | 77.2 | Confident | 65.8 | Low | 41 Ų | 41 | 124.6 Ų | 124.6 | 34% | 0.339 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -80.3 | 124.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R137 L141 G142 L143 | R137-A145 PolarHBondContact NH1-O 3.39Å; R137-A145 PolarHBondContact NH2-O 3.32Å; L141-A145 HydrophobicContact CD1-CB 3.58Å; L141-A145 HydrophobicContact CG-CB 3.99Å; G142-A145 WeakPolarHBondContact O-CB 3.3Å; G142-A145 PolarHBondContact O-N 3.34Å; G142-A145 VanDerWaalsContact O-N 3.11Å; L143-A145 PolarHBondContact O-N 3.09Å |
| 146 | A | 70.3 | Confident | 63.6 | Low | 82 Ų | 82 | 124.7 Ų | 124.7 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 142 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K148 | A146-K148 PolarHBondContact O-N 2.81Š|
| 147 | V | 67.6 | Low | 61.8 | Low | 82 Ų | 82 | 124.8 Ų | 124.8 | 50% | 0.497 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 126.1 | 159.6 | 179.4 | 0 | 0 | 0 | 0 | 105.8 | P138 L141 S149 | P138-V147 HydrophobicContact CG-CG2 4.11Å; L141-V147 HydrophobicContact CD2-CB 4.33Å; L141-V147 HydrophobicContact CD2-CG2 3.41Å; L141-V147 VanDerWaalsContact CD2-CG2 3.41Å; V147-S149 VanDerWaalsContact C-N 3.26Å; V147-S149 PolarHBondContact O-N 3.04Å |
| 148 | K | 65.4 | Low | 59.6 | Low | 198 Ų | 198 | 127.1 Ų | 127.1 | 86% | 0.861 | 70% | 0.701 | S | S | * | * | trans | -65.8 | 96.6 | 162.7 | -72.8 | -175.6 | -178.6 | 178.2 | 0 | 106.3 | A146 K150 | A146-K148 PolarHBondContact O-N 2.81Å; K148-K150 PolarHBondContact O-N 3.37Å | ||
| 149 | S | 58.3 | Low | 58 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 57% | 0.573 | 71% | 0.713 | S | S | * | * | trans | -51.4 | 127.5 | 176.1 | 50.8 | 0 | 0 | 0 | 0 | 107.9 | V147 T151 | V147-S149 VanDerWaalsContact C-N 3.26Å; V147-S149 PolarHBondContact O-N 3.04Å; S149-T151 PolarHBondContact O-N 3.09Å; S149-T151 PolarHBondContact OG-OG1 3.47Å | ||
| 150 | K | 51.2 | Low | 56 | Low | 205 Ų | 205 | 123 Ų | 123 | 89% | 0.891 | 70% | 0.695 | S | S | * | * | trans | -70.8 | 72.5 | 157.5 | -75.5 | -175.7 | 178.3 | 178.3 | 0 | 106.2 | K148 K152 | K148-K150 PolarHBondContact O-N 3.37Å; K150-K152 PolarHBondContact O-N 3.17Å | ||
| 151 | T | 39.5 | Very low | 54.2 | Low | 106 Ų | 106 | 127.8 Ų | 127.8 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | trans | -62.5 | 92.8 | 169.8 | -44.6 | 0 | 0 | 0 | 0 | 105.3 | S149 E153 | S149-T151 PolarHBondContact O-N 3.09Å; S149-T151 PolarHBondContact OG-OG1 3.47Å; T151-E153 PolarHBondContact O-N 3.14Å; T151-E153 VanDerWaalsContact O-N 3.11Å | ||
| 152 | K | 43 | Very low | 52.7 | Low | 185 Ų | 185 | 133.5 Ų | 133.5 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -51.4 | 120.2 | 157.5 | -74.7 | -177.1 | 175.5 | -179.2 | 0 | 104.4 | K150 E154 | K150-K152 PolarHBondContact O-N 3.17Å; K152-E154 PolarHBondContact O-N 3.1Å | ||
| 153 | E | 41.4 | Very low | 51.2 | Low | 143 Ų | 143 | 139.1 Ų | 139.1 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | trans | -64.6 | 94.8 | 170.5 | -66.1 | -177.6 | 165.1 | 0 | 0 | 106.1 | T151 K155 | T151-E153 PolarHBondContact O-N 3.14Å; T151-E153 VanDerWaalsContact O-N 3.11Å; E153-K155 HydrophobicContact CB-CG 4.26Å; E153-K155 PolarHBondContact O-N 2.8Å; E153-K155 WeakPolarHBondContact OE2-CE 3.43Å; E153-K155 IonicContact OE2-NZ 3.86Å; E153-K155 PolarHBondContact OE2-NZ 3Å | ||
| 154 | E | 42 | Very low | 49.9 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -67.9 | 75.3 | 168.2 | -73.7 | -163.5 | 173 | 0 | 0 | 108.4 | K152 K156 | K152-E154 PolarHBondContact O-N 3.1Å; E154-K156 PolarHBondContact O-N 2.99Å | ||
| 155 | K | 41.9 | Very low | 48.8 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 63% | 0.63 | 72% | 0.719 | S | S | * | * | trans | -68.8 | 86.4 | 171.6 | -76.1 | -179.9 | -180 | 146.2 | 0 | 109 | E153 D157 | E153-K155 HydrophobicContact CB-CG 4.26Å; E153-K155 PolarHBondContact O-N 2.8Å; E153-K155 WeakPolarHBondContact OE2-CE 3.43Å; E153-K155 IonicContact OE2-NZ 3.86Å; E153-K155 PolarHBondContact OE2-NZ 3Å; K155-D157 PolarHBondContact O-N 3.1Å | ||
| 156 | K | 34.8 | Very low | 48.1 | Very low | 187 Ų | 187 | 148 Ų | 148 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -70.5 | 73.7 | 153.7 | -75.5 | -176.3 | 174.3 | 176 | 0 | 109.4 | E154 | E154-K156 PolarHBondContact O-N 2.99Š| ||
| 157 | D | 37.9 | Very low | 48.5 | Very low | 126 Ų | 126 | 149 Ų | 149 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | trans | -118.3 | 112.7 | 157.3 | -79.1 | -53 | 0 | 0 | 0 | 106.9 | K155 V159 | K155-D157 PolarHBondContact O-N 3.1Å; D157-V159 PolarHBondContact O-N 3.07Å; D157-V159 VanDerWaalsContact O-N 3.1Å | ||
| 158 | N | 33.4 | Very low | 49.3 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 94% | 0.941 | 73% | 0.726 | S | S | * | * | trans | -73 | 101.8 | -179.7 | -81 | -26.6 | 0 | 0 | 0 | 109.9 | ||||
| 159 | V | 43.1 | Very low | 50.5 | Low | 121 Ų | 121 | 141.6 Ų | 141.6 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -129.2 | 126 | 171 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | D157 K161 | D157-V159 PolarHBondContact O-N 3.07Å; D157-V159 VanDerWaalsContact O-N 3.1Å; V159-K161 PolarHBondContact O-N 2.87Å | ||
| 160 | S | 41 | Very low | 51.9 | Low | 81 Ų | 81 | 143.2 Ų | 143.2 | 57% | 0.566 | 69% | 0.691 | S | S | * | * | trans | -2.5 | 107.9 | 174 | 49.3 | 0 | 0 | 0 | 0 | 117.5 | E162 | S160-E162 PolarHBondContact O-N 2.92Š| ||
| 161 | K | 41.5 | Very low | 53.9 | Low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 42.6 | -179.4 | -158.8 | -173.6 | 178.4 | -174.9 | 0 | 113 | V159 | V159-K161 PolarHBondContact O-N 2.87Š|
| 162 | E | 45.3 | Very low | 56.4 | Low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | -7.4 | -165.6 | -64.7 | -179.5 | 158.8 | 0 | 0 | 114.1 | S160 | S160-E162 PolarHBondContact O-N 2.92Š|
| 163 | E | 46.7 | Very low | 58.8 | Low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | trans | -108.7 | 12.1 | 179.3 | -65 | -167.9 | 162.2 | 0 | 0 | 114.3 | E165 | E163-E165 PolarHBondContact O-N 2.89Š| ||
| 164 | E | 49.5 | Very low | 61.2 | Low | 177 Ų | 177 | 121.5 Ų | 121.5 | 83% | 0.827 | 61% | 0.611 | S | S | * | * | trans | -78.1 | 48.6 | 165.5 | -70.2 | -169.4 | 129.3 | 0 | 0 | 111.2 | E166 | E164-E166 PolarHBondContact O-N 2.94Š| ||
| 165 | E | 52.6 | Low | 63.6 | Low | 164 Ų | 164 | 113.3 Ų | 113.3 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | trans | -59.5 | 131.4 | 163.3 | -72.9 | -164.2 | 141 | 0 | 0 | 108.6 | E163 L167 | E163-E165 PolarHBondContact O-N 2.89Å; E165-L167 PolarHBondContact O-N 2.84Å | ||
| 166 | E | 62.7 | Low | 66 | Low | 153 Ų | 153 | 107.6 Ų | 107.6 | 72% | 0.715 | 55% | 0.548 | S | S | * | . | trans | -53.1 | 116.6 | -178.5 | -64.4 | -176.3 | 171.3 | 0 | 0 | 110.6 | E164 Q168 | E164-E166 PolarHBondContact O-N 2.94Å; E166-Q168 HydrophobicContact CB-CG 4.04Å; E166-Q168 PolarHBondContact O-N 3.18Å; E166-Q168 PolarHBondContact OE2-NE2 2.83Å | ||
| 167 | L | 79.9 | Confident | 68.7 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | trans | -73.9 | 63.8 | -176 | -68.8 | 177.4 | 0 | 0 | 0 | 111.8 | E165 V219 | E165-L167 PolarHBondContact O-N 2.84Å; L167-V219 HydrophobicContact CB-CB 4.11Å; L167-V219 HydrophobicContact CB-CG1 3.87Å; L167-V219 HydrophobicContact CD2-CG1 4.47Å; L167-V219 WeakPolarHBondContact O-CB 3.36Å; L167-V219 WeakPolarHBondContact O-CG1 3.5Å | ||
| 168 | Q | 84.8 | Confident | 71.1 | Confident | 89 Ų | 89 | 96.9 Ų | 96.9 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | trans | -72.1 | 133.1 | -179.8 | -63.5 | 176.5 | 4.8 | 0 | 0 | 110.4 | E166 K170 S173 | E166-Q168 HydrophobicContact CB-CG 4.04Å; E166-Q168 PolarHBondContact O-N 3.18Å; E166-Q168 PolarHBondContact OE2-NE2 2.83Å; Q168-K170 PolarHBondContact O-N 2.94Å; Q168-S173 PolarHBondContact O-OG 2.92Å | ||
| 169 | L | 89.4 | Confident | 73.4 | Confident | 36 Ų | 36 | 92.1 Ų | 92.1 | 19% | 0.188 | 48% | 0.475 | C | S | . | . | trans | -74.2 | 111.6 | 176.8 | -175.8 | 70.8 | 0 | 0 | 0 | 109.5 | I175 V189 M192 V199 Q214 V219 | L169-I175 HydrophobicContact CD1-CG2 3.95Å; L169-V189 HydrophobicContact CD1-CG2 3.89Å; L169-M192 HydrophobicContact CB-CE 4.43Å; L169-M192 HydrophobicContact CD2-CE 3.74Å; L169-M192 HydrophobicContact CG-CE 3.74Å; L169-M192 HydrophobicContact CG-SD 4.1Å; L169-V199 HydrophobicContact CD2-CG2 3.96Å; L169-Q214 HydrophobicContact CD2-CG 3.73Å; L169-V219 HydrophobicContact CB-CG2 3.75Å; L169-V219 HydrophobicContact CD1-CG2 3.74Å; L169-V219 HydrophobicContact CG-CG2 4.34Å | ||
| 170 | K | 89.2 | Confident | 74.8 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | trans | -134.9 | 164 | 179.2 | -67.2 | 171.7 | -176.8 | 163 | 0 | 109.4 | Q168 G172 S173 | Q168-K170 PolarHBondContact O-N 2.94Å; K170-G172 PolarHBondContact O-N 2.84Å; K170-S173 PolarHBondContact N-OG 2.9Å; K170-S173 VanDerWaalsContact N-OG 3.08Å; K170-S173 VanDerWaalsContact O-CB 3.24Å; K170-S173 WeakPolarHBondContact O-CB 3.37Å; K170-S173 PolarHBondContact O-N 3.09Å; K170-S173 PolarHBondContact O-OG 2.93Å | ||
| 171 | V | 92.9 | Very high | 76 | Confident | 97 Ų | 97 | 90 Ų | 90 | 59% | 0.588 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 130.8 | 169.7 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | V189 I190 M192 | V171-V189 HydrophobicContact CG2-CG1 4.5Å; V171-I190 VanDerWaalsContact CG1-O 3.27Å; V171-I190 WeakPolarHBondContact CG1-O 3.24Å; V171-M192 HydrophobicContact CG2-CG 4.38Å; V171-M192 HydrophobicContact CG2-SD 4.41Å |
| 172 | G | 91.3 | Very high | 77 | Confident | 43 Ų | 43 | 89 Ų | 89 | 44% | 0.443 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -13.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K170 V189 | K170-G172 PolarHBondContact O-N 2.84Å; G172-V189 WeakPolarHBondContact CA-O 3.48Å; G172-V189 PolarHBondContact N-O 2.92Å |
| 173 | S | 92.4 | Very high | 78.1 | Confident | 25 Ų | 25 | 82.7 Ų | 82.7 | 18% | 0.175 | 44% | 0.436 | C | S | . | . | trans | -58.5 | 142.3 | 177.1 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | Q168 K170 K188 V189 | Q168-S173 PolarHBondContact O-OG 2.92Å; K170-S173 PolarHBondContact N-OG 2.9Å; K170-S173 VanDerWaalsContact N-OG 3.08Å; K170-S173 VanDerWaalsContact O-CB 3.24Å; K170-S173 WeakPolarHBondContact O-CB 3.37Å; K170-S173 PolarHBondContact O-N 3.09Å; K170-S173 PolarHBondContact O-OG 2.93Å; S173-K188 WeakPolarHBondContact O-CA 3.18Å; S173-V189 PolarHBondContact O-N 2.92Å; S173-V189 VanDerWaalsContact O-N 3.15Å | ||
| 174 | C | 93 | Very high | 79.6 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 12% | 0.122 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 137.3 | 171.9 | -66.6 | 0 | 0 | 0 | 0 | 109.7 | V220 Y225 | C174-V220 WeakPolarHBondContact CB-O 3.15Å; C174-V220 PolarHBondContact O-N 2.83Å; C174-Y225 HydrophobicContact CB-CD1 4.49Å; C174-Y225 HydrophobicContact CB-CD2 3.77Å; C174-Y225 HydrophobicContact CB-CE2 4.49Å; C174-Y225 HydrophobicContact CB-CG 3.76Å |
| 175 | I | 92.9 | Very high | 81.4 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 160.6 | -173 | 59.9 | 158 | 0 | 0 | 0 | 112.8 | L169 Y186 G187 V189 C201 V217 E218 | L169-I175 HydrophobicContact CD1-CG2 3.95Å; I175-Y186 CarbonylContact O-C 3.55Å; I175-Y186 VanDerWaalsContact O-CA 3.23Å; I175-Y186 WeakPolarHBondContact O-CA 3.46Å; I175-Y186 WeakPolarHBondContact O-CB 3.04Å; I175-G187 VanDerWaalsContact CG1-O 3.27Å; I175-G187 WeakPolarHBondContact CG1-O 3.23Å; I175-G187 PolarHBondContact N-O 3.29Å; I175-G187 PolarHBondContact O-N 3.25Å; I175-V189 HydrophobicContact CD1-CG2 4.44Å; I175-V189 HydrophobicContact CG2-CG2 3.86Å; I175-C201 HydrophobicContact CD1-CB 3.53Å; I175-V217 HydrophobicContact CB-CG1 3.57Å; I175-V217 HydrophobicContact CD1-CG1 3.58Å; I175-V217 HydrophobicContact CD1-CG2 4.45Å; I175-V217 HydrophobicContact CG1-CG1 4.17Å; I175-V217 HydrophobicContact CG2-CG1 3.62Å; I175-E218 CarbonylContact C-O 3.53Å; I175-E218 VanDerWaalsContact CA-O 3.24Å; I175-E218 WeakPolarHBondContact CA-O 3.28Å; I175-E218 WeakPolarHBondContact CB-O 3.44Å |
| 176 | K | 91.7 | Very high | 83.3 | Confident | 24 Ų | 24 | 65 Ų | 65 | 10% | 0.104 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.5 | 170 | 165.2 | -179.9 | 158.9 | -70.5 | 0 | 109.5 | T178 N184 Y186 V217 E218 V220 | K176-T178 PolarHBondContact NZ-OG1 3.31Å; K176-N184 VanDerWaalsContact CE-OD1 3.28Å; K176-N184 WeakPolarHBondContact CE-OD1 3.47Å; K176-Y186 HydrophobicContact CB-CD1 3.88Å; K176-Y186 HydrophobicContact CB-CE1 3.81Å; K176-Y186 HydrophobicContact CD-CE1 4.16Å; K176-Y186 HydrophobicContact CG-CE1 4.23Å; K176-V217 WeakPolarHBondContact O-CA 3.18Å; K176-E218 HydrophobicContact CB-CB 4.46Å; K176-E218 PolarHBondContact N-O 3.22Å; K176-E218 IonicContact NZ-OE1 3.29Å; K176-E218 PolarHBondContact NZ-OE1 3.11Å; K176-E218 IonicContact NZ-OE2 3.47Å; K176-E218 PolarHBondContact NZ-OE2 2.79Å; K176-E218 PolarHBondContact O-N 3.4Å; K176-V220 HydrophobicContact CB-CG2 3.59Å |
| 177 | R | 90.7 | Very high | 84.8 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 141.4 | 176.1 | -155.7 | 171.3 | 81.6 | -134.8 | -3.9 | 111.6 | D179 T183 E185 M203 L212 | R177-D179 WeakPolarHBondContact CD-OD1 3.43Å; R177-D179 WeakPolarHBondContact CD-OD2 3.38Å; R177-D179 HydrophobicContact CG-CB 4.34Å; R177-D179 WeakPolarHBondContact CG-OD1 3.19Å; R177-D179 IonicContact CZ-OD1 2.66Å; R177-D179 IonicContact CZ-OD2 3.64Å; R177-D179 IonicContact NE-OD1 2.93Å; R177-D179 PolarHBondContact NE-OD1 2.66Å; R177-D179 IonicContact NE-OD2 2.68Å; R177-D179 PolarHBondContact NE-OD2 3.43Å; R177-D179 IonicContact NH2-OD1 3.26Å; R177-T183 VanDerWaalsContact NH2-CB 3.26Å; R177-T183 PolarHBondContact NH2-OG1 3.22Å; R177-T183 VanDerWaalsContact NH2-OG1 3.1Å; R177-E185 IonicContact CZ-OE2 2.66Å; R177-E185 VanDerWaalsContact CZ-OE2 3.31Å; R177-E185 PolarHBondContact N-O 2.88Å; R177-E185 IonicContact NH1-OE2 2.7Å; R177-E185 PolarHBondContact NH1-OE2 2.66Å; R177-E185 IonicContact NH2-OE2 3.44Å; R177-E185 PolarHBondContact NH2-OE2 2.87Å; R177-M203 HydrophobicContact CB-CE 4.2Å; R177-L212 VanDerWaalsContact CD-CD1 3.42Å; R177-L212 HydrophobicContact CG-CD1 3.72Å |
| 178 | T | 88.8 | Confident | 85.5 | Confident | 67 Ų | 67 | 57.5 Ų | 57.5 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | trans | -135.7 | 17.1 | -178.6 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | K176 S216 E218 | K176-T178 PolarHBondContact NZ-OG1 3.31Å; T178-S216 PolarHBondContact N-O 3Å; T178-E218 WeakPolarHBondContact CB-OE1 3.31Å; T178-E218 WeakPolarHBondContact CG2-OE1 3.48Å; T178-E218 VanDerWaalsContact OG1-CD 3.3Å; T178-E218 PolarHBondContact OG1-OE1 3.11Å | ||
| 179 | D | 82.5 | Confident | 85.9 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -67.5 | -39.7 | -179.1 | 61.6 | -14.7 | 0 | 0 | 0 | 114.6 | R177 T183 | R177-D179 WeakPolarHBondContact CD-OD1 3.43Å; R177-D179 WeakPolarHBondContact CD-OD2 3.38Å; R177-D179 HydrophobicContact CG-CB 4.34Å; R177-D179 WeakPolarHBondContact CG-OD1 3.19Å; R177-D179 IonicContact CZ-OD1 2.66Å; R177-D179 IonicContact CZ-OD2 3.64Å; R177-D179 IonicContact NE-OD1 2.93Å; R177-D179 PolarHBondContact NE-OD1 2.66Å; R177-D179 IonicContact NE-OD2 2.68Å; R177-D179 PolarHBondContact NE-OD2 3.43Å; R177-D179 IonicContact NH2-OD1 3.26Å; D179-T183 PolarHBondContact OD1-OG1 2.76Å |
| 180 | A | 70.9 | Confident | 86.2 | Confident | 43 Ų | 43 | 56 Ų | 56 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -129.4 | 146.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H182 T183 | A180-H182 PolarHBondContact O-N 3.25Å; A180-T183 HydrophobicContact CB-CG2 4.4Å; A180-T183 PolarHBondContact O-N 3.45Å; A180-T183 PolarHBondContact O-OG1 2.83Å |
| 181 | P | 67.2 | Low | 86.4 | Confident | 113 Ų | 113 | 53 Ų | 53 | 73% | 0.734 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 130.4 | 174.2 | -26.9 | 35.3 | 0 | 0 | 0 | 112.2 | T183 | P181-T183 VanDerWaalsContact C-N 3.31Å; P181-T183 PolarHBondContact O-N 3.08Å |
| 182 | H | 61.8 | Low | 86.3 | Confident | 171 Ų | 171 | 51.1 Ų | 51.1 | 79% | 0.792 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 0.5 | 178.5 | -44.9 | -79.2 | 0 | 0 | 0 | 117.3 | A180 N184 | A180-H182 PolarHBondContact O-N 3.25Å; H182-N184 PolarHBondContact O-N 3.33Å |
| 183 | T | 70 | Confident | 86.3 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | trans | -96.6 | 65.4 | 177.1 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | R177 D179 A180 P181 E185 | R177-T183 VanDerWaalsContact NH2-CB 3.26Å; R177-T183 PolarHBondContact NH2-OG1 3.22Å; R177-T183 VanDerWaalsContact NH2-OG1 3.1Å; D179-T183 PolarHBondContact OD1-OG1 2.76Å; A180-T183 HydrophobicContact CB-CG2 4.4Å; A180-T183 PolarHBondContact O-N 3.45Å; A180-T183 PolarHBondContact O-OG1 2.83Å; P181-T183 VanDerWaalsContact C-N 3.31Å; P181-T183 PolarHBondContact O-N 3.08Å; T183-E185 PolarHBondContact O-N 3.47Å | ||
| 184 | N | 77.9 | Confident | 86.1 | Confident | 79 Ų | 79 | 58.4 Ų | 58.4 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | trans | -73.6 | 55.9 | 171.1 | -69 | -43.4 | 0 | 0 | 0 | 111.6 | K176 H182 Y186 | K176-N184 VanDerWaalsContact CE-OD1 3.28Å; K176-N184 WeakPolarHBondContact CE-OD1 3.47Å; H182-N184 PolarHBondContact O-N 3.33Å; N184-Y186 WeakPolarHBondContact O-CD2 3.38Å; N184-Y186 WeakPolarHBondContact O-CE2 3.2Å | ||
| 185 | E | 87.7 | Confident | 85.9 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | trans | -84.7 | 141.3 | 178.1 | -63.9 | -168.6 | 117.7 | 0 | 0 | 110.8 | R177 T183 M203 L205 | R177-E185 IonicContact CZ-OE2 2.66Å; R177-E185 VanDerWaalsContact CZ-OE2 3.31Å; R177-E185 PolarHBondContact N-O 2.88Å; R177-E185 IonicContact NH1-OE2 2.7Å; R177-E185 PolarHBondContact NH1-OE2 2.66Å; R177-E185 IonicContact NH2-OE2 3.44Å; R177-E185 PolarHBondContact NH2-OE2 2.87Å; T183-E185 PolarHBondContact O-N 3.47Å; E185-M203 HydrophobicContact CB-CE 3.44Å; E185-M203 VanDerWaalsContact CB-CE 3.44Å; E185-L205 HydrophobicContact CG-CD1 4.33Å | ||
| 186 | Y | 92.5 | Very high | 85.7 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 3% | 0.027 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 149.6 | 179.6 | -61.7 | -101 | 0 | 0 | 0 | 111 | I175 K176 N184 L204 V220 E224 Y225 K228 | I175-Y186 CarbonylContact O-C 3.55Å; I175-Y186 VanDerWaalsContact O-CA 3.23Å; I175-Y186 WeakPolarHBondContact O-CA 3.46Å; I175-Y186 WeakPolarHBondContact O-CB 3.04Å; K176-Y186 HydrophobicContact CB-CD1 3.88Å; K176-Y186 HydrophobicContact CB-CE1 3.81Å; K176-Y186 HydrophobicContact CD-CE1 4.16Å; K176-Y186 HydrophobicContact CG-CE1 4.23Å; N184-Y186 WeakPolarHBondContact O-CD2 3.38Å; N184-Y186 WeakPolarHBondContact O-CE2 3.2Å; Y186-L204 PolarHBondContact O-N 2.87Å; Y186-V220 HydrophobicContact CD1-CG1 4.44Å; Y186-V220 HydrophobicContact CE1-CG1 4.16Å; Y186-V220 HydrophobicContact CE1-CG2 4.41Å; Y186-E224 HydrophobicContact CE1-CG 4.38Å; Y186-Y225 HydrophobicContact CD1-CD2 4.46Å; Y186-K228 HydrophobicContact CE1-CB 4.29Å; Y186-K228 HydrophobicContact CE2-CB 3.74Å; Y186-K228 WeakPolarHBondContact OH-CB 3.5Å; Y186-K228 VanDerWaalsContact OH-CD 3.31Å; Y186-K228 WeakPolarHBondContact OH-CD 3.27Å |
| 187 | G | 92.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | -179 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I175 H202 Y225 | I175-G187 VanDerWaalsContact CG1-O 3.27Å; I175-G187 WeakPolarHBondContact CG1-O 3.23Å; I175-G187 PolarHBondContact N-O 3.29Å; I175-G187 PolarHBondContact O-N 3.25Å; G187-H202 CarbonylContact C-O 3.5Å; G187-H202 WeakPolarHBondContact CA-O 3.45Å; G187-Y225 WeakPolarHBondContact O-CE2 3.49Å |
| 188 | K | 94.4 | Very high | 85.7 | Confident | 97 Ų | 97 | 75.2 Ų | 75.2 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.5 | 168.4 | -73.5 | -170.3 | 175.7 | -161.5 | 0 | 110.5 | S173 I190 C201 H202 Y225 | S173-K188 WeakPolarHBondContact O-CA 3.18Å; K188-I190 PolarHBondContact O-N 2.84Å; K188-C201 CarbonylContact O-C 3.58Å; K188-C201 WeakPolarHBondContact O-CA 3.05Å; K188-C201 WeakPolarHBondContact O-CB 3.36Å; K188-H202 PolarHBondContact N-O 2.9Å; K188-H202 PolarHBondContact O-N 2.88Å; K188-Y225 HydrophobicContact CG-CE2 4.29Å |
| 189 | V | 94.8 | Very high | 85.9 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 110 | L169 V171 G172 S173 I175 M192 V199 | L169-V189 HydrophobicContact CD1-CG2 3.89Å; V171-V189 HydrophobicContact CG2-CG1 4.5Å; G172-V189 WeakPolarHBondContact CA-O 3.48Å; G172-V189 PolarHBondContact N-O 2.92Å; S173-V189 PolarHBondContact O-N 2.92Å; S173-V189 VanDerWaalsContact O-N 3.15Å; I175-V189 HydrophobicContact CD1-CG2 4.44Å; I175-V189 HydrophobicContact CG2-CG2 3.86Å; V189-M192 HydrophobicContact CG1-CG 3.59Å; V189-M192 HydrophobicContact CG1-SD 4.07Å; V189-V199 HydrophobicContact CB-CG1 4.33Å; V189-V199 HydrophobicContact CG1-CG1 3.84Å; V189-V199 HydrophobicContact CG2-CG1 3.74Å |
| 190 | I | 94.4 | Very high | 86.5 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 45% | 0.451 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -45.8 | 171.2 | -63 | 162.2 | 0 | 0 | 0 | 110.1 | V171 K188 V200 H202 T209 | V171-I190 VanDerWaalsContact CG1-O 3.27Å; V171-I190 WeakPolarHBondContact CG1-O 3.24Å; K188-I190 PolarHBondContact O-N 2.84Å; I190-V200 PolarHBondContact N-O 2.89Å; I190-H202 HydrophobicContact CD1-CB 3.75Å; I190-H202 HydrophobicContact CG1-CB 4.18Å; I190-T209 HydrophobicContact CD1-CG2 3.67Å |
| 191 | S | 93.2 | Very high | 87.5 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 163 | 176.7 | 62 | 0 | 0 | 0 | 0 | 111 | V200 | S191-V200 PolarHBondContact N-O 3.26Å; S191-V200 PolarHBondContact O-N 2.85Å; S191-V200 WeakPolarHBondContact OG-CB 3.19Å |
| 192 | M | 92.3 | Very high | 88.8 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.5 | 179.2 | -66.4 | 171 | 58.8 | 0 | 0 | 108.6 | L169 V171 V189 V199 | L169-M192 HydrophobicContact CB-CE 4.43Å; L169-M192 HydrophobicContact CD2-CE 3.74Å; L169-M192 HydrophobicContact CG-CE 3.74Å; L169-M192 HydrophobicContact CG-SD 4.1Å; V171-M192 HydrophobicContact CG2-CG 4.38Å; V171-M192 HydrophobicContact CG2-SD 4.41Å; V189-M192 HydrophobicContact CG1-CG 3.59Å; V189-M192 HydrophobicContact CG1-SD 4.07Å; M192-V199 HydrophobicContact CG-CG1 4.5Å |
| 193 | D | 91.2 | Very high | 90.2 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 96.1 | -179.6 | 172.7 | -11.2 | 0 | 0 | 0 | 105.8 | N196 C197 R198 | D193-N196 VanDerWaalsContact CG-ND2 3.32Å; D193-N196 WeakPolarHBondContact OD1-CB 3.49Å; D193-N196 PolarHBondContact OD1-N 3.41Å; D193-N196 PolarHBondContact OD1-ND2 2.93Å; D193-N196 PolarHBondContact OD2-ND2 3.23Å; D193-C197 PolarHBondContact O-N 2.89Å; D193-R198 HydrophobicContact CB-CB 3.98Å; D193-R198 PolarHBondContact N-O 3.39Å; D193-R198 PolarHBondContact O-N 2.99Å |
| 194 | E | 87.1 | Confident | 91.2 | Very high | 166 Ų | 166 | 59.6 Ų | 59.6 | 78% | 0.776 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -33 | -172.2 | -62.3 | -177.2 | 175.3 | 0 | 0 | 111.4 | ||
| 195 | D | 89.1 | Confident | 91.6 | Very high | 159 Ų | 159 | 58.1 Ų | 58.1 | 85% | 0.85 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -39.7 | 178.4 | -66.3 | -46.8 | 0 | 0 | 0 | 112.4 | ||
| 196 | N | 89.2 | Confident | 91.6 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 5.9 | -178.7 | -61.6 | -70.8 | 0 | 0 | 0 | 114.2 | D193 R198 | D193-N196 VanDerWaalsContact CG-ND2 3.32Å; D193-N196 WeakPolarHBondContact OD1-CB 3.49Å; D193-N196 PolarHBondContact OD1-N 3.41Å; D193-N196 PolarHBondContact OD1-ND2 2.93Å; D193-N196 PolarHBondContact OD2-ND2 3.23Å; N196-R198 HydrophobicContact CB-CB 4.31Å; N196-R198 HydrophobicContact CB-CG 4.24Å; N196-R198 PolarHBondContact O-N 3.28Å |
| 197 | C | 90.3 | Very high | 91.4 | Very high | 43 Ų | 43 | 66 Ų | 66 | 29% | 0.291 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 45 | -170.4 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | D193 Q214 Y215 | D193-C197 PolarHBondContact O-N 2.89Å; C197-Q214 WeakPolarHBondContact O-CB 3.36Å; C197-Q214 PolarHBondContact O-N 3.5Å; C197-Y215 HydrophobicContact CB-CE2 4.41Å |
| 198 | R | 92.4 | Very high | 91.4 | Very high | 110 Ų | 110 | 71.4 Ų | 71.4 | 42% | 0.415 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 147.5 | -174.8 | -88 | 179.7 | 170.2 | -92.1 | -4.8 | 112.2 | D193 N196 S211 L212 | D193-R198 HydrophobicContact CB-CB 3.98Å; D193-R198 PolarHBondContact N-O 3.39Å; D193-R198 PolarHBondContact O-N 2.99Å; N196-R198 HydrophobicContact CB-CB 4.31Å; N196-R198 HydrophobicContact CB-CG 4.24Å; N196-R198 PolarHBondContact O-N 3.28Å; R198-S211 PolarHBondContact NH1-O 3.36Å; R198-S211 PolarHBondContact NH1-OG 3.09Å; R198-L212 CarbonylContact C-O 3.47Å; R198-L212 WeakPolarHBondContact CA-O 3.5Å |
| 199 | V | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.8 | -178.2 | -173.9 | 0 | 0 | 0 | 0 | 108 | L169 V189 M192 L212 Q214 | L169-V199 HydrophobicContact CD2-CG2 3.96Å; V189-V199 HydrophobicContact CB-CG1 4.33Å; V189-V199 HydrophobicContact CG1-CG1 3.84Å; V189-V199 HydrophobicContact CG2-CG1 3.74Å; M192-V199 HydrophobicContact CG-CG1 4.5Å; V199-L212 PolarHBondContact N-O 2.84Å; V199-L212 PolarHBondContact O-N 3.38Å; V199-Q214 HydrophobicContact CG2-CB 4.13Å |
| 200 | V | 94.4 | Very high | 91.1 | Very high | 37 Ų | 37 | 71.9 Ų | 71.9 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 115.2 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 108 | I190 S191 T209 L210 | I190-V200 PolarHBondContact N-O 2.89Å; S191-V200 PolarHBondContact N-O 3.26Å; S191-V200 PolarHBondContact O-N 2.85Å; S191-V200 WeakPolarHBondContact OG-CB 3.19Å; V200-T209 HydrophobicContact CG1-CG2 3.52Å; V200-L210 WeakPolarHBondContact CA-O 3.34Å |
| 201 | C | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.7 | -172.2 | 59.7 | 0 | 0 | 0 | 0 | 113 | I175 K188 T209 L210 L212 | I175-C201 HydrophobicContact CD1-CB 3.53Å; K188-C201 CarbonylContact O-C 3.58Å; K188-C201 WeakPolarHBondContact O-CA 3.05Å; K188-C201 WeakPolarHBondContact O-CB 3.36Å; C201-T209 CarbonylContact O-C 3.59Å; C201-T209 WeakPolarHBondContact O-CA 3.33Å; C201-L210 PolarHBondContact N-O 2.84Å; C201-L210 PolarHBondContact O-N 2.78Å; C201-L212 WeakPolarHBondContact SG-CD1 3.36Å |
| 202 | H | 94.1 | Very high | 90.9 | Very high | 79 Ų | 79 | 68.8 Ų | 68.8 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118.9 | 171.9 | -161.8 | 65.2 | 0 | 0 | 0 | 110 | G187 K188 I190 K207 T209 | G187-H202 CarbonylContact C-O 3.5Å; G187-H202 WeakPolarHBondContact CA-O 3.45Å; K188-H202 PolarHBondContact N-O 2.9Å; K188-H202 PolarHBondContact O-N 2.88Å; I190-H202 HydrophobicContact CD1-CB 3.75Å; I190-H202 HydrophobicContact CG1-CB 4.18Å; H202-K207 PolarHBondContact CE1-O 3.44Å; H202-T209 PolarHBondContact ND1-OG1 3.5Å; H202-T209 VanDerWaalsContact ND1-OG1 3.07Å |
| 203 | M | 91.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.1 | -178.7 | -57.7 | -52.8 | -63 | 0 | 0 | 110.6 | R177 E185 L205 S206 K207 E208 L210 | R177-M203 HydrophobicContact CB-CE 4.2Å; E185-M203 HydrophobicContact CB-CE 3.44Å; E185-M203 VanDerWaalsContact CB-CE 3.44Å; M203-L205 VanDerWaalsContact C-N 3.34Å; M203-L205 PolarHBondContact O-N 3.16Å; M203-S206 WeakPolarHBondContact CB-OG 3.32Å; M203-K207 WeakPolarHBondContact O-CA 3.43Å; M203-K207 PolarHBondContact O-N 2.7Å; M203-E208 PolarHBondContact N-O 3.02Å; M203-L210 HydrophobicContact CG-CD1 3.71Å; M203-L210 HydrophobicContact CG-CG 4.06Å; M203-L210 HydrophobicContact SD-CD1 4.37Å |
| 204 | L | 90.1 | Very high | 90.9 | Very high | 64 Ų | 64 | 69.2 Ų | 69.2 | 34% | 0.335 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -28.8 | -173.7 | -170.9 | 63.3 | 0 | 0 | 0 | 113.2 | Y186 Y225 R230 | Y186-L204 PolarHBondContact O-N 2.87Å; L204-Y225 HydrophobicContact CD2-CE1 4.1Å; L204-Y225 HydrophobicContact CD2-CE2 4.43Å; L204-R230 HydrophobicContact CD2-CG 4.23Å |
| 205 | L | 87.3 | Confident | 91.1 | Very high | 49 Ų | 49 | 70.6 Ų | 70.6 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -56.7 | -177.7 | -81.5 | 157.6 | 0 | 0 | 0 | 112.5 | E185 M203 K207 I232 | E185-L205 HydrophobicContact CG-CD1 4.33Å; M203-L205 VanDerWaalsContact C-N 3.34Å; M203-L205 PolarHBondContact O-N 3.16Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-I232 HydrophobicContact CD2-CB 4.49Å; L205-I232 HydrophobicContact CD2-CG1 3.69Å |
| 206 | S | 86.4 | Confident | 91.1 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.7 | 178.7 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | M203 E208 | M203-S206 WeakPolarHBondContact CB-OG 3.32Å; S206-E208 PolarHBondContact O-N 2.6Å; S206-E208 WeakPolarHBondContact OG-CB 3.19Å; S206-E208 PolarHBondContact OG-N 2.93Å |
| 207 | K | 89.4 | Confident | 91.2 | Very high | 161 Ų | 161 | 60.5 Ų | 60.5 | 70% | 0.7 | 31% | 0.307 | S | S | * | . | trans | 59.9 | 17.5 | -170.2 | -51.3 | 179.4 | -176.4 | 177.6 | 0 | 113.8 | H202 M203 L205 | H202-K207 PolarHBondContact CE1-O 3.44Å; M203-K207 WeakPolarHBondContact O-CA 3.43Å; M203-K207 PolarHBondContact O-N 2.7Å; L205-K207 VanDerWaalsContact C-N 3.33Å | ||
| 208 | E | 91.4 | Very high | 91.3 | Very high | 115 Ų | 115 | 62.5 Ų | 62.5 | 54% | 0.537 | 31% | 0.312 | S | S | . | . | trans | -91.3 | 148.9 | 176.4 | -166.3 | 171 | -167.8 | 0 | 0 | 110.4 | M203 S206 L210 | M203-E208 PolarHBondContact N-O 3.02Å; S206-E208 PolarHBondContact O-N 2.6Å; S206-E208 WeakPolarHBondContact OG-CB 3.19Å; S206-E208 PolarHBondContact OG-N 2.93Å; E208-L210 HydrophobicContact CB-CD2 4.44Å; E208-L210 HydrophobicContact CG-CD2 3.84Å; E208-L210 HydrophobicContact CG-CG 4.43Å | ||
| 209 | T | 93.1 | Very high | 91.3 | Very high | 73 Ų | 73 | 59 Ų | 59 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 110.3 | 172.2 | -64.4 | 0 | 0 | 0 | 0 | 108.7 | I190 V200 C201 H202 | I190-T209 HydrophobicContact CD1-CG2 3.67Å; V200-T209 HydrophobicContact CG1-CG2 3.52Å; C201-T209 CarbonylContact O-C 3.59Å; C201-T209 WeakPolarHBondContact O-CA 3.33Å; H202-T209 PolarHBondContact ND1-OG1 3.5Å; H202-T209 VanDerWaalsContact ND1-OG1 3.07Å |
| 210 | L | 90.5 | Very high | 91.2 | Very high | 38 Ų | 38 | 59.5 Ų | 59.5 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 144.9 | -175.6 | -61.2 | 178.5 | 0 | 0 | 0 | 111.1 | V200 C201 M203 E208 L212 | V200-L210 WeakPolarHBondContact CA-O 3.34Å; C201-L210 PolarHBondContact N-O 2.84Å; C201-L210 PolarHBondContact O-N 2.78Å; M203-L210 HydrophobicContact CG-CD1 3.71Å; M203-L210 HydrophobicContact CG-CG 4.06Å; M203-L210 HydrophobicContact SD-CD1 4.37Å; E208-L210 HydrophobicContact CB-CD2 4.44Å; E208-L210 HydrophobicContact CG-CD2 3.84Å; E208-L210 HydrophobicContact CG-CG 4.43Å; L210-L212 HydrophobicContact CB-CD2 3.98Å; L210-L212 HydrophobicContact CB-CG 4.12Å; L210-L212 HydrophobicContact CD1-CD2 4.34Å |
| 211 | S | 92.8 | Very high | 91.1 | Very high | 59 Ų | 59 | 60 Ų | 60 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 103.9 | 167.6 | -179 | 0 | 0 | 0 | 0 | 109.2 | R198 | R198-S211 PolarHBondContact NH1-O 3.36Å; R198-S211 PolarHBondContact NH1-OG 3.09Å |
| 212 | L | 91.4 | Very high | 91 | Very high | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 160.9 | -176.3 | -55.8 | 179 | 0 | 0 | 0 | 110.6 | R177 R198 V199 C201 L210 V217 | R177-L212 VanDerWaalsContact CD-CD1 3.42Å; R177-L212 HydrophobicContact CG-CD1 3.72Å; R198-L212 CarbonylContact C-O 3.47Å; R198-L212 WeakPolarHBondContact CA-O 3.5Å; V199-L212 PolarHBondContact N-O 2.84Å; V199-L212 PolarHBondContact O-N 3.38Å; C201-L212 WeakPolarHBondContact SG-CD1 3.36Å; L210-L212 HydrophobicContact CB-CD2 3.98Å; L210-L212 HydrophobicContact CB-CG 4.12Å; L210-L212 HydrophobicContact CD1-CD2 4.34Å; L212-V217 HydrophobicContact CB-CG2 3.99Å; L212-V217 HydrophobicContact CD1-CG2 3.84Å |
| 213 | S | 91.7 | Very high | 90.9 | Very high | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 144.8 | 165.6 | -177.9 | 0 | 0 | 0 | 0 | 110 | Y215 S216 | S213-Y215 PolarHBondContact O-N 3.09Å; S213-Y215 WeakPolarHBondContact OG-CD2 3.48Å; S213-Y215 PolarHBondContact OG-N 3.39Å; S213-S216 WeakPolarHBondContact O-CB 3.49Å; S213-S216 PolarHBondContact O-N 3.41Å |
| 214 | Q | 91.1 | Very high | 90.8 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -54.5 | -34.8 | 173.4 | -175.7 | 171.8 | 3.5 | 0 | 0 | 112.5 | L169 C197 V199 S216 V217 | L169-Q214 HydrophobicContact CD2-CG 3.73Å; C197-Q214 WeakPolarHBondContact O-CB 3.36Å; C197-Q214 PolarHBondContact O-N 3.5Å; V199-Q214 HydrophobicContact CG2-CB 4.13Å; Q214-S216 PolarHBondContact O-N 2.88Å; Q214-V217 PolarHBondContact O-N 3.25Å |
| 215 | Y | 90.3 | Very high | 90.8 | Very high | 195 Ų | 195 | 63 Ų | 63 | 77% | 0.765 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -72.2 | -10.1 | 176.7 | -53.8 | -69.6 | 0 | 0 | 0 | 114.2 | C197 S213 | C197-Y215 HydrophobicContact CB-CE2 4.41Å; S213-Y215 PolarHBondContact O-N 3.09Å; S213-Y215 WeakPolarHBondContact OG-CD2 3.48Å; S213-Y215 PolarHBondContact OG-N 3.39Å |
| 216 | S | 90.5 | Very high | 91 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -97.5 | 9.2 | 178.7 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | T178 S213 Q214 | T178-S216 PolarHBondContact N-O 3Å; S213-S216 WeakPolarHBondContact O-CB 3.49Å; S213-S216 PolarHBondContact O-N 3.41Å; Q214-S216 PolarHBondContact O-N 2.88Å |
| 217 | V | 91 | Very high | 91 | Very high | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.6 | -167.2 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | I175 K176 L212 Q214 | I175-V217 HydrophobicContact CB-CG1 3.57Å; I175-V217 HydrophobicContact CD1-CG1 3.58Å; I175-V217 HydrophobicContact CD1-CG2 4.45Å; I175-V217 HydrophobicContact CG1-CG1 4.17Å; I175-V217 HydrophobicContact CG2-CG1 3.62Å; K176-V217 WeakPolarHBondContact O-CA 3.18Å; L212-V217 HydrophobicContact CB-CG2 3.99Å; L212-V217 HydrophobicContact CD1-CG2 3.84Å; Q214-V217 PolarHBondContact O-N 3.25Å |
| 218 | E | 91.9 | Very high | 90.9 | Very high | 86 Ų | 86 | 65.4 Ų | 65.4 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136 | 169.9 | -73.5 | 160.4 | -138 | 0 | 0 | 109.5 | I175 K176 T178 | I175-E218 CarbonylContact C-O 3.53Å; I175-E218 VanDerWaalsContact CA-O 3.24Å; I175-E218 WeakPolarHBondContact CA-O 3.28Å; I175-E218 WeakPolarHBondContact CB-O 3.44Å; K176-E218 HydrophobicContact CB-CB 4.46Å; K176-E218 PolarHBondContact N-O 3.22Å; K176-E218 IonicContact NZ-OE1 3.29Å; K176-E218 PolarHBondContact NZ-OE1 3.11Å; K176-E218 IonicContact NZ-OE2 3.47Å; K176-E218 PolarHBondContact NZ-OE2 2.79Å; K176-E218 PolarHBondContact O-N 3.4Å; T178-E218 WeakPolarHBondContact CB-OE1 3.31Å; T178-E218 WeakPolarHBondContact CG2-OE1 3.48Å; T178-E218 VanDerWaalsContact OG1-CD 3.3Å; T178-E218 PolarHBondContact OG1-OE1 3.11Å |
| 219 | V | 93.3 | Very high | 90.5 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 138.5 | 169.7 | -172.2 | 0 | 0 | 0 | 0 | 109 | L167 L169 | L167-V219 HydrophobicContact CB-CB 4.11Å; L167-V219 HydrophobicContact CB-CG1 3.87Å; L167-V219 HydrophobicContact CD2-CG1 4.47Å; L167-V219 WeakPolarHBondContact O-CB 3.36Å; L167-V219 WeakPolarHBondContact O-CG1 3.5Å; L169-V219 HydrophobicContact CB-CG2 3.75Å; L169-V219 HydrophobicContact CD1-CG2 3.74Å; L169-V219 HydrophobicContact CG-CG2 4.34Å |
| 220 | V | 90.7 | Very high | 90.1 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | trans | -134.3 | 142.3 | -170.3 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | C174 K176 Y186 E224 | C174-V220 WeakPolarHBondContact CB-O 3.15Å; C174-V220 PolarHBondContact O-N 2.83Å; K176-V220 HydrophobicContact CB-CG2 3.59Å; Y186-V220 HydrophobicContact CD1-CG1 4.44Å; Y186-V220 HydrophobicContact CE1-CG1 4.16Å; Y186-V220 HydrophobicContact CE1-CG2 4.41Å; V220-E224 HydrophobicContact CG1-CB 3.55Å; V220-E224 HydrophobicContact CG1-CG 3.51Å | ||
| 221 | S | 92 | Very high | 89.7 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | trans | -61.5 | 153.6 | 178.5 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | A223 E224 Y225 | S221-A223 PolarHBondContact O-N 3.09Å; S221-E224 PolarHBondContact O-N 3.13Å; S221-E224 PolarHBondContact OG-N 3Å; S221-Y225 WeakPolarHBondContact O-CB 3.37Å; S221-Y225 PolarHBondContact O-N 2.73Å | ||
| 222 | S | 91.2 | Very high | 89.1 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 59% | 0.587 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.8 | -38.6 | 176.8 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | L226 | S222-L226 VanDerWaalsContact O-CG 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.38Å; S222-L226 PolarHBondContact O-N 3.23Å |
| 223 | A | 90.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 72.9 Ų | 72.9 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S221 L226 Q227 | S221-A223 PolarHBondContact O-N 3.09Å; A223-L226 PolarHBondContact O-N 3.25Å; A223-Q227 WeakPolarHBondContact O-CG 3.44Å; A223-Q227 PolarHBondContact O-N 3.25Å |
| 224 | E | 90.2 | Very high | 88 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 29% | 0.285 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 177 | 175.3 | 168.2 | -175.9 | 0 | 0 | 111.6 | Y186 V220 S221 L226 Q227 K228 | Y186-E224 HydrophobicContact CE1-CG 4.38Å; V220-E224 HydrophobicContact CG1-CB 3.55Å; V220-E224 HydrophobicContact CG1-CG 3.51Å; S221-E224 PolarHBondContact O-N 3.13Å; S221-E224 PolarHBondContact OG-N 3Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 3.1Å; E224-Q227 PolarHBondContact O-N 2.96Å; E224-K228 VanDerWaalsContact CD-NZ 3.3Å; E224-K228 HydrophobicContact CG-CD 3.75Å; E224-K228 HydrophobicContact CG-CG 4.17Å; E224-K228 WeakPolarHBondContact O-CB 3.28Å; E224-K228 PolarHBondContact O-N 2.67Å; E224-K228 WeakPolarHBondContact OE1-CD 3.45Å; E224-K228 WeakPolarHBondContact OE1-CE 3.47Å; E224-K228 IonicContact OE1-NZ 3.34Å; E224-K228 PolarHBondContact OE1-NZ 3.33Å; E224-K228 IonicContact OE2-NZ 3.73Å |
| 225 | Y | 91.1 | Very high | 87.5 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 9% | 0.09 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.7 | -41.1 | 174.7 | 179.8 | -93.5 | 0 | 0 | 0 | 112.2 | C174 Y186 G187 K188 L204 S221 G229 | C174-Y225 HydrophobicContact CB-CD1 4.49Å; C174-Y225 HydrophobicContact CB-CD2 3.77Å; C174-Y225 HydrophobicContact CB-CE2 4.49Å; C174-Y225 HydrophobicContact CB-CG 3.76Å; Y186-Y225 HydrophobicContact CD1-CD2 4.46Å; G187-Y225 WeakPolarHBondContact O-CE2 3.49Å; K188-Y225 HydrophobicContact CG-CE2 4.29Å; L204-Y225 HydrophobicContact CD2-CE1 4.1Å; L204-Y225 HydrophobicContact CD2-CE2 4.43Å; S221-Y225 WeakPolarHBondContact O-CB 3.37Å; S221-Y225 PolarHBondContact O-N 2.73Å; Y225-G229 WeakPolarHBondContact O-CA 3.45Å; Y225-G229 PolarHBondContact O-N 3.19Å |
| 226 | L | 90.7 | Very high | 87.1 | Confident | 130 Ų | 130 | 71.5 Ų | 71.5 | 68% | 0.681 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.3 | -39.6 | 176.3 | -72.6 | 170.6 | 0 | 0 | 0 | 112.9 | S222 A223 E224 | S222-L226 VanDerWaalsContact O-CG 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.38Å; S222-L226 PolarHBondContact O-N 3.23Å; A223-L226 PolarHBondContact O-N 3.25Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 3.1Å |
| 227 | Q | 86.7 | Confident | 86.8 | Confident | 123 Ų | 123 | 74.4 Ų | 74.4 | 58% | 0.575 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73.8 | -44.4 | -179.4 | -72.1 | -176.5 | 48.2 | 0 | 0 | 113.3 | A223 E224 | A223-Q227 WeakPolarHBondContact O-CG 3.44Å; A223-Q227 PolarHBondContact O-N 3.25Å; E224-Q227 PolarHBondContact O-N 2.96Å |
| 228 | K | 86.6 | Confident | 86.4 | Confident | 63 Ų | 63 | 76.7 Ų | 76.7 | 27% | 0.274 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -103.2 | -24 | -171.6 | -58.6 | -174.2 | -165.4 | 167.1 | 0 | 113.6 | Y186 E224 R230 C231 | Y186-K228 HydrophobicContact CE1-CB 4.29Å; Y186-K228 HydrophobicContact CE2-CB 3.74Å; Y186-K228 WeakPolarHBondContact OH-CB 3.5Å; Y186-K228 VanDerWaalsContact OH-CD 3.31Å; Y186-K228 WeakPolarHBondContact OH-CD 3.27Å; E224-K228 VanDerWaalsContact CD-NZ 3.3Å; E224-K228 HydrophobicContact CG-CD 3.75Å; E224-K228 HydrophobicContact CG-CG 4.17Å; E224-K228 WeakPolarHBondContact O-CB 3.28Å; E224-K228 PolarHBondContact O-N 2.67Å; E224-K228 WeakPolarHBondContact OE1-CD 3.45Å; E224-K228 WeakPolarHBondContact OE1-CE 3.47Å; E224-K228 IonicContact OE1-NZ 3.34Å; E224-K228 PolarHBondContact OE1-NZ 3.33Å; E224-K228 IonicContact OE2-NZ 3.73Å; K228-R230 PolarHBondContact O-N 3.32Å; K228-R230 VanDerWaalsContact O-N 3.09Å; K228-C231 WeakPolarHBondContact O-CB 3.41Å; K228-C231 PolarHBondContact O-N 2.84Å |
| 229 | G | 84.4 | Confident | 86 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y225 | Y225-G229 WeakPolarHBondContact O-CA 3.45Å; Y225-G229 PolarHBondContact O-N 3.19Å |
| 230 | R | 83.9 | Confident | 85.4 | Confident | 211 Ų | 211 | 80.6 Ų | 80.6 | 80% | 0.796 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 0.3 | 174.5 | -64.4 | -176.6 | 177.7 | -178.3 | 0.5 | 113.6 | L204 K228 I232 | L204-R230 HydrophobicContact CD2-CG 4.23Å; K228-R230 PolarHBondContact O-N 3.32Å; K228-R230 VanDerWaalsContact O-N 3.09Å; R230-I232 PolarHBondContact O-N 3.12Å |
| 231 | C | 81.3 | Confident | 85.1 | Confident | 24 Ų | 24 | 84.5 Ų | 84.5 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | trans | -89.8 | 104.2 | -172.9 | -165.1 | 0 | 0 | 0 | 0 | 112.2 | K228 N233 Y237 | K228-C231 WeakPolarHBondContact O-CB 3.41Å; K228-C231 PolarHBondContact O-N 2.84Å; C231-N233 PolarHBondContact O-N 2.98Å; C231-N233 VanDerWaalsContact O-N 3.16Å; C231-N233 VanDerWaalsContact SG-C 3.52Å; C231-N233 PolarHBondContact SG-O 3.15Å; C231-Y237 WeakPolarHBondContact SG-CB 3.49Å | ||
| 232 | I | 81.6 | Confident | 84.5 | Confident | 156 Ų | 156 | 90 Ų | 90 | 80% | 0.8 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -58.7 | -27.3 | 176.2 | -60.3 | 166.2 | 0 | 0 | 0 | 112.1 | L205 R230 | L205-I232 HydrophobicContact CD2-CB 4.49Å; L205-I232 HydrophobicContact CD2-CG1 3.69Å; R230-I232 PolarHBondContact O-N 3.12Å |
| 233 | N | 80.2 | Confident | 83.9 | Confident | 69 Ų | 69 | 92.8 Ų | 92.8 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | trans | -150.1 | 91.3 | -178.3 | -167.9 | -70.9 | 0 | 0 | 0 | 111.3 | C231 E235 K236 Y237 | C231-N233 PolarHBondContact O-N 2.98Å; C231-N233 VanDerWaalsContact O-N 3.16Å; C231-N233 VanDerWaalsContact SG-C 3.52Å; C231-N233 PolarHBondContact SG-O 3.15Å; N233-E235 VanDerWaalsContact C-N 3.31Å; N233-E235 PolarHBondContact O-N 3.3Å; N233-K236 HydrophobicContact CB-CB 4.26Å; N233-K236 HydrophobicContact CB-CD 4.21Å; N233-K236 HydrophobicContact CB-CG 4.43Å; N233-K236 PolarHBondContact O-N 3.32Å; N233-K236 VanDerWaalsContact O-N 3.12Å; N233-K236 WeakPolarHBondContact OD1-CB 3.27Å; N233-K236 VanDerWaalsContact OD1-CG 3.28Å; N233-K236 WeakPolarHBondContact OD1-CG 3.48Å; N233-K236 PolarHBondContact OD1-N 2.64Å; N233-Y237 PolarHBondContact O-N 2.93Å; N233-Y237 VanDerWaalsContact O-N 3.15Å | ||
| 234 | Q | 79.6 | Confident | 83 | Confident | 30 Ų | 30 | 95.7 Ų | 95.7 | 14% | 0.14 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -53.8 | -43.8 | -177.8 | -168.4 | 65.4 | 41.2 | 0 | 0 | 112.6 | K236 Y237 D238 | Q234-K236 VanDerWaalsContact C-N 3.33Å; Q234-K236 PolarHBondContact O-N 3.41Å; Q234-Y237 PolarHBondContact O-N 2.95Å; Q234-D238 PolarHBondContact NE2-OD1 2.8Å; Q234-D238 WeakPolarHBondContact O-CB 3.26Å; Q234-D238 VanDerWaalsContact O-CG 3.28Å; Q234-D238 PolarHBondContact O-N 2.8Å |
| 235 | E | 80.7 | Confident | 81.8 | Confident | 104 Ų | 104 | 98 Ų | 98 | 49% | 0.486 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -54.9 | -45.8 | 177.3 | -80 | -169.5 | -130.4 | 0 | 0 | 112.9 | N233 T239 K267 | N233-E235 VanDerWaalsContact C-N 3.31Å; N233-E235 PolarHBondContact O-N 3.3Å; E235-T239 VanDerWaalsContact O-CB 3.27Å; E235-T239 WeakPolarHBondContact O-CB 3.49Å; E235-T239 PolarHBondContact O-N 3.3Å; E235-T239 PolarHBondContact O-OG1 2.73Å; E235-K267 IonicContact OE2-NZ 3.79Å; E235-K267 PolarHBondContact OE2-NZ 3.11Å |
| 236 | K | 81.5 | Confident | 80.3 | Confident | 153 Ų | 153 | 102 Ų | 102 | 67% | 0.665 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.1 | -40.5 | -179.9 | -76.5 | 178.2 | -176.2 | -178.1 | 0 | 111.4 | N233 Q234 T239 Y240 | N233-K236 HydrophobicContact CB-CB 4.26Å; N233-K236 HydrophobicContact CB-CD 4.21Å; N233-K236 HydrophobicContact CB-CG 4.43Å; N233-K236 PolarHBondContact O-N 3.32Å; N233-K236 VanDerWaalsContact O-N 3.12Å; N233-K236 WeakPolarHBondContact OD1-CB 3.27Å; N233-K236 VanDerWaalsContact OD1-CG 3.28Å; N233-K236 WeakPolarHBondContact OD1-CG 3.48Å; N233-K236 PolarHBondContact OD1-N 2.64Å; Q234-K236 VanDerWaalsContact C-N 3.33Å; Q234-K236 PolarHBondContact O-N 3.41Å; K236-T239 PolarHBondContact O-N 3.35Å; K236-Y240 WeakPolarHBondContact O-CB 3.45Å; K236-Y240 PolarHBondContact O-N 3.42Å |
| 237 | Y | 84 | Confident | 78.6 | Confident | 93 Ų | 93 | 103.8 Ų | 103.8 | 37% | 0.365 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 176.6 | 176.8 | -97.4 | 0 | 0 | 0 | 111.8 | C231 N233 Q234 T239 Y240 K241 | C231-Y237 WeakPolarHBondContact SG-CB 3.49Å; N233-Y237 PolarHBondContact O-N 2.93Å; N233-Y237 VanDerWaalsContact O-N 3.15Å; Q234-Y237 PolarHBondContact O-N 2.95Å; Y237-T239 VanDerWaalsContact C-N 3.29Å; Y237-T239 PolarHBondContact O-N 3.19Å; Y237-Y240 WeakPolarHBondContact O-CB 3.39Å; Y237-Y240 PolarHBondContact O-N 3.19Å; Y237-Y240 VanDerWaalsContact O-N 3.09Å; Y237-K241 HydrophobicContact CE1-CD 4.01Å; Y237-K241 WeakPolarHBondContact O-CB 3.47Å; Y237-K241 PolarHBondContact O-N 3.26Å |
| 238 | D | 83.3 | Confident | 76.9 | Confident | 67 Ų | 67 | 102.9 Ų | 102.9 | 36% | 0.358 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 176.3 | -65.7 | -16.4 | 0 | 0 | 0 | 111.5 | Q234 Y240 K242 | Q234-D238 PolarHBondContact NE2-OD1 2.8Å; Q234-D238 WeakPolarHBondContact O-CB 3.26Å; Q234-D238 VanDerWaalsContact O-CG 3.28Å; Q234-D238 PolarHBondContact O-N 2.8Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-K242 VanDerWaalsContact O-CB 3.27Å; D238-K242 WeakPolarHBondContact O-CB 3.27Å; D238-K242 VanDerWaalsContact O-CG 3.26Å; D238-K242 WeakPolarHBondContact O-CG 3.42Å; D238-K242 PolarHBondContact O-N 3.48Å |
| 239 | T | 83.4 | Confident | 75 | Confident | 62 Ų | 62 | 106.1 Ų | 106.1 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.9 | -31.1 | 174.9 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | E235 K236 Y237 K243 | E235-T239 VanDerWaalsContact O-CB 3.27Å; E235-T239 WeakPolarHBondContact O-CB 3.49Å; E235-T239 PolarHBondContact O-N 3.3Å; E235-T239 PolarHBondContact O-OG1 2.73Å; K236-T239 PolarHBondContact O-N 3.35Å; Y237-T239 VanDerWaalsContact C-N 3.29Å; Y237-T239 PolarHBondContact O-N 3.19Å; T239-K243 WeakPolarHBondContact O-CG 3.4Å |
| 240 | Y | 80.8 | Confident | 73.1 | Confident | 144 Ų | 144 | 111.7 Ų | 111.7 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.1 | -53.9 | 174.6 | -179.9 | -90.8 | 0 | 0 | 0 | 110.9 | K236 Y237 D238 K242 K243 E244 | K236-Y240 WeakPolarHBondContact O-CB 3.45Å; K236-Y240 PolarHBondContact O-N 3.42Å; Y237-Y240 WeakPolarHBondContact O-CB 3.39Å; Y237-Y240 PolarHBondContact O-N 3.19Å; Y237-Y240 VanDerWaalsContact O-N 3.09Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; Y240-K242 VanDerWaalsContact C-N 3.27Å; Y240-K242 PolarHBondContact O-N 2.88Å; Y240-K243 WeakPolarHBondContact O-CA 3.42Å; Y240-K243 WeakPolarHBondContact O-CB 3.36Å; Y240-K243 PolarHBondContact O-N 3.3Å; Y240-E244 WeakPolarHBondContact CE1-OE2 3.43Å; Y240-E244 PolarHBondContact O-N 3.36Å; Y240-E244 VanDerWaalsContact O-N 3.09Å; Y240-E244 PolarHBondContact OH-OE1 3.32Å |
| 241 | K | 83.1 | Confident | 71.2 | Confident | 92 Ų | 92 | 108.8 Ų | 108.8 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.1 | -37.7 | -179.5 | -167.3 | 172.7 | -175.5 | 175 | 0 | 112.2 | Y237 K243 E244 V245 | Y237-K241 HydrophobicContact CE1-CD 4.01Å; Y237-K241 WeakPolarHBondContact O-CB 3.47Å; Y237-K241 PolarHBondContact O-N 3.26Å; K241-K243 VanDerWaalsContact C-N 3.3Å; K241-K243 PolarHBondContact O-N 3.33Å; K241-E244 PolarHBondContact O-N 2.82Å; K241-V245 WeakPolarHBondContact O-CG2 3.28Å; K241-V245 PolarHBondContact O-N 3.33Å |
| 242 | K | 80.4 | Confident | 69.7 | Low | 161 Ų | 161 | 113.6 Ų | 113.6 | 70% | 0.7 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.1 | -21.8 | 173.4 | -76.6 | -178.4 | 176.7 | -172.7 | 0 | 114.6 | D238 Y240 V246 | D238-K242 VanDerWaalsContact O-CB 3.27Å; D238-K242 WeakPolarHBondContact O-CB 3.27Å; D238-K242 VanDerWaalsContact O-CG 3.26Å; D238-K242 WeakPolarHBondContact O-CG 3.42Å; D238-K242 PolarHBondContact O-N 3.48Å; Y240-K242 VanDerWaalsContact C-N 3.27Å; Y240-K242 PolarHBondContact O-N 2.88Å; K242-V246 WeakPolarHBondContact O-CG2 3.38Å |
| 243 | K | 77.8 | Confident | 67.7 | Low | 144 Ų | 144 | 111.5 Ų | 111.5 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -84.6 | -38 | 173.4 | -72.8 | 178.3 | 176.4 | -168.8 | 0 | 112.1 | T239 Y240 K241 V245 V246 | T239-K243 WeakPolarHBondContact O-CG 3.4Å; Y240-K243 WeakPolarHBondContact O-CA 3.42Å; Y240-K243 WeakPolarHBondContact O-CB 3.36Å; Y240-K243 PolarHBondContact O-N 3.3Å; K241-K243 VanDerWaalsContact C-N 3.3Å; K241-K243 PolarHBondContact O-N 3.33Å; K243-V245 PolarHBondContact O-N 2.82Å; K243-V246 WeakPolarHBondContact O-CB 3.12Å; K243-V246 PolarHBondContact O-N 3.08Å; K243-V246 VanDerWaalsContact O-N 3.11Å |
| 244 | E | 71.9 | Confident | 65.9 | Low | 100 Ų | 100 | 115.7 Ų | 115.7 | 47% | 0.467 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.8 | -43.3 | -177.4 | -157.5 | 164.5 | -141.5 | 0 | 0 | 111.8 | Y240 K241 V246 H247 T248 | Y240-E244 WeakPolarHBondContact CE1-OE2 3.43Å; Y240-E244 PolarHBondContact O-N 3.36Å; Y240-E244 VanDerWaalsContact O-N 3.09Å; Y240-E244 PolarHBondContact OH-OE1 3.32Å; K241-E244 PolarHBondContact O-N 2.82Å; E244-V246 PolarHBondContact O-N 3.4Å; E244-H247 PolarHBondContact O-N 2.84Å; E244-H247 VanDerWaalsContact O-N 3.08Å; E244-T248 PolarHBondContact O-OG1 3.4Å |
| 245 | V | 65.8 | Low | 64.3 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 66% | 0.655 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -59.3 | -30.3 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 113 | K241 K243 H247 T248 | K241-V245 WeakPolarHBondContact O-CG2 3.28Å; K241-V245 PolarHBondContact O-N 3.33Å; K243-V245 PolarHBondContact O-N 2.82Å; V245-H247 PolarHBondContact O-N 3.25Å; V245-T248 PolarHBondContact O-N 3.01Å |
| 246 | V | 59.7 | Low | 62.5 | Low | 107 Ų | 107 | 125.1 Ų | 125.1 | 65% | 0.648 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -75.8 | -4.3 | -179.6 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | K242 K243 E244 | K242-V246 WeakPolarHBondContact O-CG2 3.38Å; K243-V246 WeakPolarHBondContact O-CB 3.12Å; K243-V246 PolarHBondContact O-N 3.08Å; K243-V246 VanDerWaalsContact O-N 3.11Å; E244-V246 PolarHBondContact O-N 3.4Å |
| 247 | H | 55 | Low | 60.7 | Low | 168 Ų | 168 | 125.4 Ų | 125.4 | 78% | 0.778 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -117.8 | 12.2 | 176.8 | -70.3 | -10.3 | 0 | 0 | 0 | 113.7 | E244 V245 | E244-H247 PolarHBondContact O-N 2.84Å; E244-H247 VanDerWaalsContact O-N 3.08Å; V245-H247 PolarHBondContact O-N 3.25Å |
| 248 | T | 50.4 | Low | 58.4 | Low | 105 Ų | 105 | 126.1 Ų | 126.1 | 64% | 0.644 | 67% | 0.671 | S | S | * | * | trans | -114.4 | 61.3 | -179.3 | -45.6 | 0 | 0 | 0 | 0 | 112.8 | E244 V245 | E244-T248 PolarHBondContact O-OG1 3.4Å; V245-T248 PolarHBondContact O-N 3.01Å | ||
| 249 | T | 46.2 | Very low | 56.9 | Low | 131 Ų | 131 | 130.9 Ų | 130.9 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -118.8 | 112 | 155.3 | 50.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 250 | P | 44.7 | Very low | 55 | Low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -87.4 | 128.1 | -163.5 | 31.9 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 251 | D | 44.8 | Very low | 53 | Low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | -162.9 | 123.7 | 143.2 | -101.8 | -32.8 | 0 | 0 | 0 | 112.4 | ||||
| 252 | V | 49.2 | Very low | 51.1 | Low | 126 Ų | 126 | 146 Ų | 146 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | trans | 38.4 | 129.3 | 140 | -170.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 253 | P | 40.3 | Very low | 49.2 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -137.6 | -163.5 | -28.1 | 40.2 | -19.9 | 0 | 0 | 0 | 112.9 | ||||
| 254 | L | 41.3 | Very low | 47.4 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -64.8 | 135.5 | -176.8 | -67 | 70.8 | 0 | 0 | 0 | 114.3 | ||||
| 255 | S | 46.1 | Very low | 46 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -129.5 | 144.8 | 144.7 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 256 | R | 43.7 | Very low | 44.9 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -101.4 | 126.1 | -171.2 | -65.3 | 173.5 | 177.1 | 156.9 | -2.3 | 110.7 | ||||
| 257 | N | 42.5 | Very low | 43.9 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -167.1 | 111.5 | 139.7 | -94.4 | -23.5 | 0 | 0 | 0 | 109.8 | ||||
| 258 | P | 36.5 | Very low | 43.5 | Very low | 107 Ų | 107 | 151.8 Ų | 151.8 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -82.7 | 174.8 | 168 | 36.1 | -34 | 0 | 0 | 0 | 111 | ||||
| 259 | L | 51 | Low | 43.1 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 74.4 | 133.1 | -175 | -43.6 | 172.9 | 0 | 0 | 0 | 111.9 | ||||
| 260 | E | 43.9 | Very low | 43.2 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -132.1 | 136.3 | 7.5 | -70.3 | -170.5 | 101 | 0 | 0 | 114.4 | K262 | E260-K262 PolarHBondContact O-N 3.05Š| ||
| 261 | R | 39.2 | Very low | 42.7 | Very low | 235 Ų | 235 | 154.7 Ų | 154.7 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 20 | 96 | 130.8 | -164.7 | -174.8 | -142.7 | 144.6 | 3.2 | 117.2 | ||||
| 262 | K | 43.5 | Very low | 42.5 | Very low | 208 Ų | 208 | 153.4 Ų | 153.4 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -113 | 138.6 | 164.2 | -142.5 | 166.6 | -167 | 168.8 | 0 | 111.5 | E260 | E260-K262 PolarHBondContact O-N 3.05Š| ||
| 263 | E | 40.7 | Very low | 42 | Very low | 179 Ų | 179 | 154.1 Ų | 154.1 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -85.8 | 164.4 | -159.8 | -59.5 | -169.1 | 121.8 | 0 | 0 | 115.4 | A265 | E263-A265 PolarHBondContact O-N 3.4Š| ||
| 264 | V | 38.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 159.5 Ų | 159.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -84.1 | 103.2 | -170 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 265 | A | 42.2 | Very low | 41.8 | Very low | 100 Ų | 100 | 158.6 Ų | 158.6 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 121.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E263 | E263-A265 PolarHBondContact O-N 3.4Š|
| 266 | T | 44.4 | Very low | 41.2 | Very low | 124 Ų | 124 | 159.7 Ų | 159.7 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 144.5 | -179.3 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | R268 | T266-R268 PolarHBondContact O-N 3.31Š|
| 267 | K | 38.7 | Very low | 40.8 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 133.9 | 170.1 | -58.3 | 177.4 | -177.3 | 179.7 | 0 | 111.3 | E235 | E235-K267 IonicContact OE2-NZ 3.79Å; E235-K267 PolarHBondContact OE2-NZ 3.11Å |
| 268 | R | 44.8 | Very low | 40.7 | Very low | 220 Ų | 220 | 153.5 Ų | 153.5 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -164.2 | 140.5 | 149 | -112.2 | 173.5 | -166.8 | 133.9 | 4.7 | 112.9 | T266 | T266-R268 PolarHBondContact O-N 3.31Š| ||
| 269 | D | 42.5 | Very low | 41.3 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | trans | 63.8 | 103.3 | 150.1 | -50 | -36.4 | 0 | 0 | 0 | 121.5 | ||||
| 270 | Q | 48.4 | Very low | 41.6 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | 71.4 | 141.9 | 142.2 | -55.9 | -176.3 | 37.7 | 0 | 0 | 120 | V272 | Q270-V272 VanDerWaalsContact C-N 3.3Å; Q270-V272 PolarHBondContact O-N 3.05Å | ||
| 271 | P | 35 | Very low | 43.1 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -76.9 | 83.7 | 166.6 | 33.9 | -32.4 | 0 | 0 | 0 | 109.1 | N273 | P271-N273 PolarHBondContact O-N 3.28Š| ||
| 272 | V | 39.9 | Very low | 45.5 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 75% | 0.745 | 69% | 0.688 | S | S | * | * | trans | -57.8 | 131.8 | 159 | -179.5 | 0 | 0 | 0 | 0 | 107 | Q270 R274 | Q270-V272 VanDerWaalsContact C-N 3.3Å; Q270-V272 PolarHBondContact O-N 3.05Å; V272-R274 PolarHBondContact O-N 2.86Å | ||
| 273 | N | 38 | Very low | 47.8 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | trans | -51.8 | 118.1 | 177.7 | -73.8 | -24.5 | 0 | 0 | 0 | 109.3 | P271 I275 | P271-N273 PolarHBondContact O-N 3.28Å; N273-I275 PolarHBondContact O-N 3.25Å | ||
| 274 | R | 35.4 | Very low | 50.3 | Low | 223 Ų | 223 | 115.8 Ų | 115.8 | 84% | 0.842 | 62% | 0.616 | S | S | * | * | trans | -72.6 | 81.3 | 166.3 | -73.6 | -175.5 | 176.3 | 179.7 | -2.3 | 107.8 | V272 D276 | V272-R274 PolarHBondContact O-N 2.86Å; R274-D276 PolarHBondContact O-N 2.83Å | ||
| 275 | I | 43.2 | Very low | 52.8 | Low | 139 Ų | 139 | 111.5 Ų | 111.5 | 71% | 0.713 | 59% | 0.591 | S | S | * | * | trans | -62 | 112.6 | 152.7 | -58.5 | 173.6 | 0 | 0 | 0 | 104.3 | N273 H277 | N273-I275 PolarHBondContact O-N 3.25Å; I275-H277 PolarHBondContact O-N 3.47Å; I275-H277 PolarHBondContact O-ND1 3.45Å | ||
| 276 | D | 33.7 | Very low | 55.3 | Low | 145 Ų | 145 | 109.4 Ų | 109.4 | 78% | 0.775 | 57% | 0.565 | S | S | * | * | trans | -54.7 | 127.6 | -172.2 | -67.2 | -66 | 0 | 0 | 0 | 110.5 | R274 A278 | R274-D276 PolarHBondContact O-N 2.83Å; D276-A278 VanDerWaalsContact C-N 3.35Å; D276-A278 PolarHBondContact O-N 3.19Å | ||
| 277 | H | 34 | Very low | 57.7 | Low | 167 Ų | 167 | 103.5 Ų | 103.5 | 77% | 0.773 | 53% | 0.528 | S | S | * | . | trans | -73.2 | 89.7 | -170.6 | -64.9 | -15.3 | 0 | 0 | 0 | 110.9 | I275 | I275-H277 PolarHBondContact O-N 3.47Å; I275-H277 PolarHBondContact O-ND1 3.45Å | ||
| 278 | A | 40.5 | Very low | 60.4 | Low | 72 Ų | 72 | 99.2 Ų | 99.2 | 60% | 0.595 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -46.8 | 149.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D276 T280 | D276-A278 VanDerWaalsContact C-N 3.35Å; D276-A278 PolarHBondContact O-N 3.19Å; A278-T280 PolarHBondContact O-N 2.98Å |
| 279 | P | 49 | Very low | 62.8 | Low | 107 Ų | 107 | 88.8 Ų | 88.8 | 70% | 0.695 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -55.2 | 123.7 | -151 | 17.3 | -32 | 0 | 0 | 0 | 114.9 | ||
| 280 | T | 58.2 | Low | 65.4 | Low | 76 Ų | 76 | 86.7 Ų | 86.7 | 47% | 0.466 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -55.8 | 145.9 | -176.4 | -19 | 0 | 0 | 0 | 0 | 113.4 | A278 | A278-T280 PolarHBondContact O-N 2.98Š|
| 281 | G | 76.2 | Confident | 67.6 | Low | 9 Ų | 9 | 78.7 Ų | 78.7 | 9% | 0.093 | 42% | 0.415 | C | S | . | . | trans | 99.9 | 60.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M283 K314 E332 R355 | G281-M283 PolarHBondContact O-N 3.02Å; G281-K314 VanDerWaalsContact CA-O 3.22Å; G281-K314 WeakPolarHBondContact CA-O 3.31Å; G281-E332 WeakPolarHBondContact CA-OE2 3.37Å; G281-E332 PolarHBondContact N-OE2 3.07Å; G281-R355 PolarHBondContact O-NH2 3.05Å | ||
| 282 | W | 89.8 | Confident | 70.5 | Confident | 29 Ų | 29 | 75.6 Ų | 75.6 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | trans | -68.2 | -15 | 174.1 | 65 | -108.3 | 0 | 0 | 0 | 114 | Y284 V289 E332 L335 T337 L350 F351 | W282-Y284 VanDerWaalsContact O-CD2 3.28Å; W282-Y284 WeakPolarHBondContact O-CD2 3.45Å; W282-V289 HydrophobicContact CH2-CG1 3.93Å; W282-V289 HydrophobicContact CZ3-CG1 4.08Å; W282-E332 HydrophobicContact CD2-CG 4.31Å; W282-E332 HydrophobicContact CG-CG 4.22Å; W282-E332 HydrophobicContact CZ2-CG 4.16Å; W282-E332 PolarHBondContact N-OE2 2.99Å; W282-L335 HydrophobicContact CH2-CB 3.95Å; W282-L335 HydrophobicContact CZ2-CB 4.04Å; W282-T337 HydrophobicContact CZ3-CG2 4.39Å; W282-L350 HydrophobicContact CB-CB 4.46Å; W282-L350 HydrophobicContact CE3-CD1 3.9Å; W282-L350 HydrophobicContact CZ3-CD1 4.37Å; W282-F351 HydrophobicContact CB-CE1 3.95Å; W282-F351 HydrophobicContact CB-CE2 3.68Å; W282-F351 HydrophobicContact CB-CZ 3.36Å; W282-F351 AromaticContact CD1-CZ 3.87Å; W282-F351 HydrophobicContact CG-CE2 4.1Å; W282-F351 AromaticContact CG-CZ 3.85Å; W282-F351 HydrophobicContact CG-CZ 3.85Å | ||
| 283 | M | 91 | Very high | 73.1 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | trans | -58.5 | 144.5 | 178.6 | -60.8 | -176.2 | -64.8 | 0 | 0 | 112 | G281 I308 M311 K314 C317 E332 L335 | G281-M283 PolarHBondContact O-N 3.02Å; M283-I308 HydrophobicContact CB-CD1 3.81Å; M283-I308 HydrophobicContact CG-CD1 3.98Å; M283-I308 HydrophobicContact SD-CD1 4.45Å; M283-M311 VanDerWaalsContact C-SD 3.5Å; M283-M311 HydrophobicContact CB-SD 3.82Å; M283-K314 WeakPolarHBondContact CE-O 3.26Å; M283-C317 HydrophobicContact CE-CB 4.35Å; M283-C317 HydrophobicContact SD-CB 3.87Å; M283-C317 PolarHBondContact SD-SG 2.84Å; M283-E332 HydrophobicContact CE-CB 4.1Å; M283-E332 HydrophobicContact CG-CG 4.19Å; M283-E332 HydrophobicContact SD-CB 4.11Å; M283-E332 HydrophobicContact SD-CG 4.43Å; M283-L335 HydrophobicContact SD-CD1 4.31Å | ||
| 284 | Y | 92.1 | Very high | 75.7 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | trans | -142.2 | 152.7 | 170.5 | -79.4 | -88.2 | 0 | 0 | 0 | 109.5 | W282 V287 I308 M348 L350 R355 | W282-Y284 VanDerWaalsContact O-CD2 3.28Å; W282-Y284 WeakPolarHBondContact O-CD2 3.45Å; Y284-V287 WeakPolarHBondContact O-CB 3.2Å; Y284-I308 WeakPolarHBondContact O-CB 3.24Å; Y284-M348 WeakPolarHBondContact CB-SD 3.36Å; Y284-M348 HydrophobicContact CD1-SD 3.94Å; Y284-M348 HydrophobicContact CD2-SD 4.15Å; Y284-M348 HydrophobicContact CG-SD 3.55Å; Y284-M348 VanDerWaalsContact CG-SD 3.55Å; Y284-L350 HydrophobicContact CD2-CD2 4.02Å; Y284-R355 HydrophobicContact CE2-CG 3.96Å; Y284-R355 VanDerWaalsContact OH-CG 3.28Å; Y284-R355 WeakPolarHBondContact OH-CG 3.31Å; Y284-R355 PolarHBondContact OH-NE 2.93Å | ||
| 285 | P | 92.5 | Very high | 78.3 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 150.9 | 174.9 | -21.6 | 34.6 | 0 | 0 | 0 | 112.4 | V287 M311 | P285-V287 PolarHBondContact O-N 3.1Å; P285-M311 HydrophobicContact CG-CE 4.32Å |
| 286 | M | 93.4 | Very high | 80.5 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 6.5 | -179.1 | -49.1 | -54.4 | 161.6 | 0 | 0 | 116.3 | I308 Y390 V391 | M286-I308 WeakPolarHBondContact CA-O 3.48Å; M286-I308 PolarHBondContact N-O 3.07Å; M286-Y390 HydrophobicContact CB-CD2 4.36Å; M286-Y390 HydrophobicContact CB-CE2 3.83Å; M286-V391 PolarHBondContact O-N 2.83Å |
| 287 | V | 94.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -72 | 134.2 | 168.7 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | Y284 P285 V289 R307 I308 M348 L350 A388 | Y284-V287 WeakPolarHBondContact O-CB 3.2Å; P285-V287 PolarHBondContact O-N 3.1Å; V287-V289 HydrophobicContact CG1-CG1 4.26Å; V287-R307 WeakPolarHBondContact O-CA 3.43Å; V287-I308 PolarHBondContact O-N 3.44Å; V287-M348 HydrophobicContact CG2-CB 3.98Å; V287-M348 HydrophobicContact CG2-CG 4.37Å; V287-M348 HydrophobicContact CG2-SD 3.91Å; V287-L350 HydrophobicContact CG1-CD2 4.41Å; V287-L350 HydrophobicContact CG2-CD2 4.14Å; V287-A388 HydrophobicContact CG1-CB 3.49Å; V287-A388 VanDerWaalsContact CG1-CB 3.49Å |
| 288 | R | 95.6 | Very high | 85.7 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 21% | 0.211 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.5 | 175.4 | -150.5 | 174.1 | -166.8 | 152.2 | 11.1 | 111.5 | G306 D322 V338 E389 V391 | R288-G306 CarbonylContact C-O 3.52Å; R288-G306 WeakPolarHBondContact CA-O 3.28Å; R288-G306 WeakPolarHBondContact CG-O 3.32Å; R288-D322 IonicContact CZ-OD1 3.6Å; R288-D322 IonicContact CZ-OD2 3.7Å; R288-D322 IonicContact NE-OD1 3.75Å; R288-D322 IonicContact NE-OD2 3.74Å; R288-D322 IonicContact NH2-OD1 2.69Å; R288-D322 PolarHBondContact NH2-OD1 2.88Å; R288-D322 IonicContact NH2-OD2 2.84Å; R288-D322 PolarHBondContact NH2-OD2 2.88Å; R288-V338 HydrophobicContact CB-CB 4.14Å; R288-V338 HydrophobicContact CB-CG1 4.45Å; R288-V338 HydrophobicContact CG-CB 4.34Å; R288-V338 HydrophobicContact CG-CG1 4.36Å; R288-V338 WeakPolarHBondContact O-CB 3.22Å; R288-V338 PolarHBondContact O-N 2.88Å; R288-E389 HydrophobicContact CB-CB 3.95Å; R288-E389 HydrophobicContact CB-CG 4.2Å; R288-E389 WeakPolarHBondContact CB-O 3.42Å; R288-E389 WeakPolarHBondContact CD-OE1 3Å; R288-E389 IonicContact CZ-OE1 2.73Å; R288-E389 PolarHBondContact N-O 2.92Å; R288-E389 IonicContact NE-OE1 3.72Å; R288-E389 IonicContact NH1-OE1 3.7Å; R288-E389 PolarHBondContact NH1-OE1 3.32Å; R288-V391 HydrophobicContact CB-CG2 4.04Å; R288-V391 HydrophobicContact CG-CG2 4.38Å |
| 289 | V | 96.1 | Very high | 88 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 157.6 | -173.9 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | W282 V287 K305 G306 I308 V319 L335 E336 V338 | W282-V289 HydrophobicContact CH2-CG1 3.93Å; W282-V289 HydrophobicContact CZ3-CG1 4.08Å; V287-V289 HydrophobicContact CG1-CG1 4.26Å; V289-K305 WeakPolarHBondContact O-CA 3.46Å; V289-G306 PolarHBondContact N-O 2.86Å; V289-G306 PolarHBondContact O-N 2.59Å; V289-I308 HydrophobicContact CG1-CD1 3.91Å; V289-I308 HydrophobicContact CG1-CG1 4.02Å; V289-I308 HydrophobicContact CG2-CG1 4.05Å; V289-V319 HydrophobicContact CG2-CG1 4.02Å; V289-V319 HydrophobicContact CG2-CG2 4.4Å; V289-L335 HydrophobicContact CB-CB 4.37Å; V289-L335 HydrophobicContact CB-CD1 4.34Å; V289-L335 HydrophobicContact CB-CD2 4.15Å; V289-L335 HydrophobicContact CG1-CD1 4.32Å; V289-L335 HydrophobicContact CG2-CD1 4.15Å; V289-L335 HydrophobicContact CG2-CD2 3.9Å; V289-E336 CarbonylContact C-O 3.57Å; V289-E336 WeakPolarHBondContact CA-O 3.41Å; V289-V338 VanDerWaalsContact C-CG2 3.44Å |
| 290 | R | 96 | Very high | 90 | Very high | 74 Ų | 74 | 66 Ų | 66 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.1 | 171.1 | -169 | -165.4 | -50.9 | 146.3 | 11.1 | 109.6 | K304 L335 E336 V338 | R290-K304 WeakPolarHBondContact CA-O 3.49Å; R290-L335 CarbonylContact O-C 3.58Å; R290-L335 WeakPolarHBondContact O-CA 3.21Å; R290-E336 HydrophobicContact CB-CB 4.33Å; R290-E336 WeakPolarHBondContact CD-OE2 3.23Å; R290-E336 IonicContact CZ-OE1 2.73Å; R290-E336 VanDerWaalsContact CZ-OE1 3.26Å; R290-E336 IonicContact CZ-OE2 2.6Å; R290-E336 VanDerWaalsContact CZ-OE2 3.29Å; R290-E336 PolarHBondContact N-O 3.13Å; R290-E336 IonicContact NE-OE2 2.61Å; R290-E336 IonicContact NH1-OE1 3.23Å; R290-E336 PolarHBondContact NH1-OE1 2.98Å; R290-E336 IonicContact NH1-OE2 3.82Å; R290-E336 PolarHBondContact NH1-OE2 3.04Å; R290-E336 IonicContact NH2-OE1 2.95Å; R290-E336 PolarHBondContact NH2-OE1 2.83Å; R290-E336 PolarHBondContact O-N 2.68Å; R290-V338 HydrophobicContact CB-CG2 4.01Å |
| 291 | F | 96.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.3 | 179.2 | -170.7 | -83.8 | 0 | 0 | 0 | 111.4 | D293 Y296 F301 K303 K304 F321 L327 V330 Q334 L335 | F291-D293 HydrophobicContact CE1-CB 3.86Å; F291-D293 WeakPolarHBondContact CE1-O 3.17Å; F291-D293 HydrophobicContact CZ-CB 4.08Å; F291-Y296 HydrophobicContact CE1-CD1 4.25Å; F291-Y296 HydrophobicContact CE1-CG 4.37Å; F291-Y296 AromaticContact CZ-CD1 3.76Å; F291-Y296 HydrophobicContact CZ-CD1 3.76Å; F291-Y296 AromaticContact CZ-CG 3.79Å; F291-Y296 HydrophobicContact CZ-CG 3.79Å; F291-F301 HydrophobicContact CB-CB 4.49Å; F291-F301 HydrophobicContact CD1-CB 3.66Å; F291-F301 HydrophobicContact CE1-CB 4Å; F291-F301 HydrophobicContact CG-CB 4.06Å; F291-K303 PolarHBondContact O-N 2.92Å; F291-K304 PolarHBondContact N-O 2.98Å; F291-F321 HydrophobicContact CB-CE1 3.7Å; F291-F321 HydrophobicContact CB-CZ 3.76Å; F291-F321 HydrophobicContact CD2-CZ 4.08Å; F291-F321 HydrophobicContact CG-CE1 4.46Å; F291-F321 HydrophobicContact CG-CZ 4.05Å; F291-L327 HydrophobicContact CD2-CD2 4.35Å; F291-L327 HydrophobicContact CE2-CD2 3.92Å; F291-L327 HydrophobicContact CZ-CD2 4.42Å; F291-V330 HydrophobicContact CD2-CG1 4.04Å; F291-V330 HydrophobicContact CE2-CG1 3.85Å; F291-V330 HydrophobicContact CE2-CG2 4.27Å; F291-Q334 CarbonylContact C-O 3.59Å; F291-Q334 WeakPolarHBondContact CA-O 3.48Å; F291-Q334 HydrophobicContact CD2-CB 4.45Å; F291-Q334 HydrophobicContact CE2-CB 3.93Å; F291-Q334 HydrophobicContact CZ-CB 4.2Å; F291-L335 HydrophobicContact CB-CD2 4.33Å; F291-L335 HydrophobicContact CD2-CD2 4.01Å |
| 292 | I | 95.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | trans | -111.5 | -9.7 | -169.2 | 55.1 | 165 | 0 | 0 | 0 | 115.5 | R294 Y302 Q334 E336 | I292-R294 PolarHBondContact O-N 3.39Å; I292-R294 VanDerWaalsContact O-N 3.16Å; I292-Y302 VanDerWaalsContact O-CD2 3.26Å; I292-Y302 WeakPolarHBondContact O-CD2 3.32Å; I292-Y302 WeakPolarHBondContact O-CE2 3.32Å; I292-Q334 WeakPolarHBondContact CG1-O 3.06Å; I292-Q334 PolarHBondContact N-O 3.05Å; I292-E336 HydrophobicContact CD1-CB 4.39Å; I292-E336 HydrophobicContact CG2-CB 3.59Å; I292-E336 HydrophobicContact CG2-CG 4.39Å; I292-E336 WeakPolarHBondContact CG2-OE2 3.37Å | ||
| 293 | D | 93.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 71.5 Ų | 71.5 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | trans | -75.4 | 108.2 | 179.1 | -172 | 4.6 | 0 | 0 | 0 | 112.3 | F291 R295 Q334 | F291-D293 HydrophobicContact CE1-CB 3.86Å; F291-D293 WeakPolarHBondContact CE1-O 3.17Å; F291-D293 HydrophobicContact CZ-CB 4.08Å; D293-R295 VanDerWaalsContact C-N 3.26Å; D293-R295 PolarHBondContact O-N 3.48Å; D293-R295 WeakPolarHBondContact OD1-CB 3.28Å; D293-R295 PolarHBondContact OD1-N 2.87Å; D293-R295 IonicContact OD1-NE 2.67Å; D293-R295 PolarHBondContact OD1-NE 3.15Å; D293-Q334 HydrophobicContact CB-CB 4.09Å; D293-Q334 HydrophobicContact CB-CG 4.02Å; D293-Q334 PolarHBondContact OD2-NE2 2.97Å | ||
| 294 | R | 93.4 | Very high | 93 | Very high | 167 Ų | 167 | 75 Ų | 75 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -68.2 | -21.4 | 175.1 | -66.5 | -175.4 | -178.4 | -174.1 | 1.8 | 113.8 | I292 G299 Y302 | I292-R294 PolarHBondContact O-N 3.39Å; I292-R294 VanDerWaalsContact O-N 3.16Å; R294-G299 WeakPolarHBondContact O-CA 3.27Å; R294-G299 PolarHBondContact O-N 2.88Å; R294-Y302 HydrophobicContact CG-CD1 3.91Å; R294-Y302 HydrophobicContact CG-CD2 3.61Å; R294-Y302 HydrophobicContact CG-CE1 3.88Å; R294-Y302 HydrophobicContact CG-CE2 3.61Å; R294-Y302 HydrophobicContact CG-CG 3.78Å; R294-Y302 PolarHBondContact NE-OH 3.29Å; R294-Y302 VanDerWaalsContact NE-OH 3.15Å; R294-Y302 PolarHBondContact NH2-OH 3.13Å |
| 295 | R | 90.1 | Very high | 93.2 | Very high | 203 Ų | 203 | 75.6 Ų | 75.6 | 77% | 0.766 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -85.1 | -35.8 | -173.3 | -60.7 | 172.9 | -68 | -160.4 | 2 | 111.3 | D293 A297 | D293-R295 VanDerWaalsContact C-N 3.26Å; D293-R295 PolarHBondContact O-N 3.48Å; D293-R295 WeakPolarHBondContact OD1-CB 3.28Å; D293-R295 PolarHBondContact OD1-N 2.87Å; D293-R295 IonicContact OD1-NE 2.67Å; D293-R295 PolarHBondContact OD1-NE 3.15Å; R295-A297 PolarHBondContact O-N 3.39Å |
| 296 | Y | 89.8 | Confident | 93.3 | Very high | 92 Ų | 92 | 73.2 Ų | 73.2 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -60.4 | 133.5 | 178.6 | -168.5 | -89.3 | 0 | 0 | 0 | 111.8 | F291 K298 G299 F301 L327 | F291-Y296 HydrophobicContact CE1-CD1 4.25Å; F291-Y296 HydrophobicContact CE1-CG 4.37Å; F291-Y296 AromaticContact CZ-CD1 3.76Å; F291-Y296 HydrophobicContact CZ-CD1 3.76Å; F291-Y296 AromaticContact CZ-CG 3.79Å; F291-Y296 HydrophobicContact CZ-CG 3.79Å; Y296-K298 PolarHBondContact O-N 3.2Å; Y296-G299 PolarHBondContact O-N 2.98Å; Y296-F301 HydrophobicContact CD1-CD2 4.06Å; Y296-F301 HydrophobicContact CD1-CE2 4.48Å; Y296-F301 HydrophobicContact CE1-CD2 4.12Å; Y296-F301 HydrophobicContact CE1-CE2 4.12Å; Y296-L327 HydrophobicContact CD1-CD2 4.45Å; Y296-L327 HydrophobicContact CE1-CD1 3.89Å; Y296-L327 HydrophobicContact CE1-CD2 3.92Å; Y296-L327 HydrophobicContact CE1-CG 4.48Å |
| 297 | A | 88.4 | Confident | 93.4 | Very high | 50 Ų | 50 | 74.8 Ų | 74.8 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | 45.3 | 38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R295 G299 K300 F301 | R295-A297 PolarHBondContact O-N 3.39Å; A297-G299 PolarHBondContact O-N 2.95Å; A297-K300 HydrophobicContact CB-CB 4.2Å; A297-K300 WeakPolarHBondContact O-CB 3.34Å; A297-K300 PolarHBondContact O-N 2.9Å; A297-K300 VanDerWaalsContact O-N 3.13Å; A297-F301 HydrophobicContact CB-CD2 3.95Å; A297-F301 HydrophobicContact CB-CE2 3.89Å |
| 298 | K | 88.2 | Confident | 93.5 | Very high | 211 Ų | 211 | 74.8 Ų | 74.8 | 92% | 0.917 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | 55.9 | 27.6 | -175.1 | -54.4 | 179.9 | -179 | 177.5 | 0 | 113.9 | Y296 | Y296-K298 PolarHBondContact O-N 3.2Š|
| 299 | G | 89 | Confident | 93.3 | Very high | 23 Ų | 23 | 75.8 Ų | 75.8 | 24% | 0.237 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | 82 | 8.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R294 Y296 A297 F301 Y302 | R294-G299 WeakPolarHBondContact O-CA 3.27Å; R294-G299 PolarHBondContact O-N 2.88Å; Y296-G299 PolarHBondContact O-N 2.98Å; A297-G299 PolarHBondContact O-N 2.95Å; G299-F301 PolarHBondContact O-N 3.06Å; G299-Y302 WeakPolarHBondContact O-CB 3.33Å; G299-Y302 PolarHBondContact O-N 2.86Å |
| 300 | K | 91.6 | Very high | 93.1 | Very high | 145 Ų | 145 | 80.2 Ų | 80.2 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -33 | -178.8 | -179 | -177.3 | 175 | -170.3 | 0 | 114 | A297 K304 | A297-K300 HydrophobicContact CB-CB 4.2Å; A297-K300 WeakPolarHBondContact O-CB 3.34Å; A297-K300 PolarHBondContact O-N 2.9Å; A297-K300 VanDerWaalsContact O-N 3.13Å; K300-K304 VanDerWaalsContact O-CE 3.32Å; K300-K304 WeakPolarHBondContact O-CE 3.5Å |
| 301 | F | 93 | Very high | 92.7 | Very high | 27 Ų | 27 | 80 Ų | 80 | 12% | 0.118 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -1.4 | -178.4 | -57.9 | -81.1 | 0 | 0 | 0 | 113.5 | F291 Y296 A297 G299 K303 K304 F321 L327 | F291-F301 HydrophobicContact CB-CB 4.49Å; F291-F301 HydrophobicContact CD1-CB 3.66Å; F291-F301 HydrophobicContact CE1-CB 4Å; F291-F301 HydrophobicContact CG-CB 4.06Å; Y296-F301 HydrophobicContact CD1-CD2 4.06Å; Y296-F301 HydrophobicContact CD1-CE2 4.48Å; Y296-F301 HydrophobicContact CE1-CD2 4.12Å; Y296-F301 HydrophobicContact CE1-CE2 4.12Å; A297-F301 HydrophobicContact CB-CD2 3.95Å; A297-F301 HydrophobicContact CB-CE2 3.89Å; G299-F301 PolarHBondContact O-N 3.06Å; F301-K303 PolarHBondContact O-N 3.18Å; F301-K304 WeakPolarHBondContact O-CB 3.28Å; F301-K304 PolarHBondContact O-N 3.48Å; F301-F321 HydrophobicContact CB-CE1 4.4Å; F301-F321 HydrophobicContact CB-CE2 4.36Å; F301-F321 HydrophobicContact CB-CZ 3.88Å; F301-F321 AromaticContact CD1-CD2 3.77Å; F301-F321 HydrophobicContact CD1-CD2 3.77Å; F301-F321 HydrophobicContact CD1-CE1 4.42Å; F301-F321 AromaticContact CD1-CE2 3.36Å; F301-F321 HydrophobicContact CD1-CE2 3.36Å; F301-F321 HydrophobicContact CD1-CG 4.45Å; F301-F321 AromaticContact CD1-CZ 3.74Å; F301-F321 HydrophobicContact CD1-CZ 3.74Å; F301-F321 HydrophobicContact CE1-CD2 4.02Å; F301-F321 AromaticContact CE1-CE2 3.84Å; F301-F321 HydrophobicContact CE1-CE2 3.84Å; F301-F321 HydrophobicContact CG-CE2 4.07Å; F301-F321 HydrophobicContact CG-CZ 4.1Å; F301-L327 HydrophobicContact CD1-CD2 4.42Å; F301-L327 HydrophobicContact CD2-CD2 4.07Å; F301-L327 HydrophobicContact CE2-CD1 4.14Å; F301-L327 HydrophobicContact CE2-CD2 4.19Å; F301-L327 HydrophobicContact CG-CD2 4.19Å; F301-L327 HydrophobicContact CZ-CD1 4.14Å; F301-L327 HydrophobicContact CZ-CD2 4.41Å |
| 302 | Y | 94.1 | Very high | 92.3 | Very high | 72 Ų | 72 | 83.6 Ų | 83.6 | 28% | 0.282 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 130.6 | -174.6 | -179.7 | -120.6 | 0 | 0 | 0 | 112 | I292 R294 G299 K304 | I292-Y302 VanDerWaalsContact O-CD2 3.26Å; I292-Y302 WeakPolarHBondContact O-CD2 3.32Å; I292-Y302 WeakPolarHBondContact O-CE2 3.32Å; R294-Y302 HydrophobicContact CG-CD1 3.91Å; R294-Y302 HydrophobicContact CG-CD2 3.61Å; R294-Y302 HydrophobicContact CG-CE1 3.88Å; R294-Y302 HydrophobicContact CG-CE2 3.61Å; R294-Y302 HydrophobicContact CG-CG 3.78Å; R294-Y302 PolarHBondContact NE-OH 3.29Å; R294-Y302 VanDerWaalsContact NE-OH 3.15Å; R294-Y302 PolarHBondContact NH2-OH 3.13Å; G299-Y302 WeakPolarHBondContact O-CB 3.33Å; G299-Y302 PolarHBondContact O-N 2.86Å; Y302-K304 PolarHBondContact O-N 2.79Å |
| 303 | K | 93.9 | Very high | 91.8 | Very high | 132 Ų | 132 | 84.1 Ų | 84.1 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 5.3 | -172.6 | -65 | -176.4 | 171 | -169.6 | 0 | 116 | F291 F301 | F291-K303 PolarHBondContact O-N 2.92Å; F301-K303 PolarHBondContact O-N 3.18Å |
| 304 | K | 95.7 | Very high | 91.3 | Very high | 75 Ų | 75 | 90.8 Ų | 90.8 | 33% | 0.326 | 42% | 0.418 | S | S | . | . | trans | -70.2 | 142.6 | 172.4 | -63 | -161 | 171.8 | -155.7 | 0 | 110.6 | R290 F291 K300 F301 Y302 F321 D323 | R290-K304 WeakPolarHBondContact CA-O 3.49Å; F291-K304 PolarHBondContact N-O 2.98Å; K300-K304 VanDerWaalsContact O-CE 3.32Å; K300-K304 WeakPolarHBondContact O-CE 3.5Å; F301-K304 WeakPolarHBondContact O-CB 3.28Å; F301-K304 PolarHBondContact O-N 3.48Å; Y302-K304 PolarHBondContact O-N 2.79Å; K304-F321 HydrophobicContact CB-CD1 3.5Å; K304-F321 VanDerWaalsContact CB-CD1 3.5Å; K304-F321 HydrophobicContact CB-CE1 3.67Å; K304-F321 HydrophobicContact CB-CG 4.48Å; K304-D323 WeakPolarHBondContact CD-OD2 3.33Å; K304-D323 WeakPolarHBondContact CE-OD2 3.16Å; K304-D323 IonicContact NZ-OD2 3.9Å; K304-D323 PolarHBondContact NZ-OD2 2.87Å | ||
| 305 | K | 96.1 | Very high | 90.9 | Very high | 66 Ų | 66 | 87 Ų | 87 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 149.9 | 173.4 | -81.1 | -168 | 172.9 | -161.2 | 0 | 110.6 | V289 F321 D322 V338 | V289-K305 WeakPolarHBondContact O-CA 3.46Å; K305-F321 WeakPolarHBondContact O-CA 3.43Å; K305-F321 WeakPolarHBondContact O-CD1 3.36Å; K305-D322 WeakPolarHBondContact CB-OD2 3.45Å; K305-D322 PolarHBondContact O-N 2.98Å; K305-V338 HydrophobicContact CD-CG1 4.24Å; K305-V338 HydrophobicContact CD-CG2 4.48Å; K305-V338 VanDerWaalsContact CE-CG1 3.46Å; K305-V338 HydrophobicContact CG-CG2 4.29Å |
| 306 | G | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | -176 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R288 V289 V320 | R288-G306 CarbonylContact C-O 3.52Å; R288-G306 WeakPolarHBondContact CA-O 3.28Å; R288-G306 WeakPolarHBondContact CG-O 3.32Å; V289-G306 PolarHBondContact N-O 2.86Å; V289-G306 PolarHBondContact O-N 2.59Å; G306-V320 CarbonylContact C-O 3.55Å; G306-V320 WeakPolarHBondContact CA-O 3.44Å |
| 307 | R | 95.7 | Very high | 91.2 | Very high | 90 Ų | 90 | 74 Ų | 74 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149.8 | 168.8 | 66.9 | -178.3 | -175.3 | -82 | -6 | 110.7 | V287 V319 V320 | V287-R307 WeakPolarHBondContact O-CA 3.43Å; R307-V319 WeakPolarHBondContact O-CA 3.26Å; R307-V320 HydrophobicContact CG-CB 4.46Å; R307-V320 PolarHBondContact N-O 2.8Å; R307-V320 PolarHBondContact O-N 3.15Å |
| 308 | I | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130.6 | 165.5 | -62.5 | 177.7 | 0 | 0 | 0 | 107.8 | M283 Y284 M286 V287 V289 M311 C317 V319 L335 | M283-I308 HydrophobicContact CB-CD1 3.81Å; M283-I308 HydrophobicContact CG-CD1 3.98Å; M283-I308 HydrophobicContact SD-CD1 4.45Å; Y284-I308 WeakPolarHBondContact O-CB 3.24Å; M286-I308 WeakPolarHBondContact CA-O 3.48Å; M286-I308 PolarHBondContact N-O 3.07Å; V287-I308 PolarHBondContact O-N 3.44Å; V289-I308 HydrophobicContact CG1-CD1 3.91Å; V289-I308 HydrophobicContact CG1-CG1 4.02Å; V289-I308 HydrophobicContact CG2-CG1 4.05Å; I308-M311 HydrophobicContact CG2-CG 4.26Å; I308-C317 HydrophobicContact CG2-CB 3.9Å; I308-V319 HydrophobicContact CG1-CG2 4.45Å; I308-L335 HydrophobicContact CD1-CD1 4.37Å |
| 309 | E | 93.2 | Very high | 91.9 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -50.9 | 178.2 | -175.3 | 164.9 | -121.2 | 0 | 0 | 111.1 | T318 V320 L326 | E309-T318 PolarHBondContact N-O 3.16Å; E309-V320 HydrophobicContact CB-CG2 4.08Å; E309-V320 HydrophobicContact CG-CG2 4.45Å; E309-V320 VanDerWaalsContact OE2-CG2 3.29Å; E309-V320 WeakPolarHBondContact OE2-CG2 3.49Å; E309-L326 WeakPolarHBondContact OE2-CD1 3.37Å |
| 310 | D | 90.6 | Very high | 92.2 | Very high | 94 Ų | 94 | 62.1 Ų | 62.1 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 161.4 | 179.2 | -175.9 | 33.2 | 0 | 0 | 0 | 111.9 | C317 T318 | D310-C317 CarbonylContact O-C 3.42Å; D310-C317 VanDerWaalsContact O-CA 3.32Å; D310-C317 WeakPolarHBondContact O-CA 3.39Å; D310-C317 WeakPolarHBondContact O-CB 3.18Å; D310-T318 PolarHBondContact O-N 3.3Å |
| 311 | M | 88.8 | Confident | 92.4 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 86.6 | -176.2 | -60.7 | -168.8 | -57.1 | 0 | 0 | 111.9 | M283 P285 I308 S313 C317 | M283-M311 VanDerWaalsContact C-SD 3.5Å; M283-M311 HydrophobicContact CB-SD 3.82Å; P285-M311 HydrophobicContact CG-CE 4.32Å; I308-M311 HydrophobicContact CG2-CG 4.26Å; M311-S313 PolarHBondContact O-N 3.44Å; M311-S313 VanDerWaalsContact O-N 3.1Å; M311-C317 HydrophobicContact CG-CB 4.35Å |
| 312 | V | 87.6 | Confident | 92.4 | Very high | 78 Ų | 78 | 58.4 Ų | 58.4 | 47% | 0.473 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | -30.3 | 178.2 | -173.9 | 0 | 0 | 0 | 0 | 113.1 | T316 | V312-T316 PolarHBondContact N-O 3.13Å; V312-T316 VanDerWaalsContact N-O 3.13Å |
| 313 | S | 83.9 | Confident | 92.3 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 168.9 | 169.4 | -75 | 0 | 0 | 0 | 0 | 110.4 | M311 D315 T316 | M311-S313 PolarHBondContact O-N 3.44Å; M311-S313 VanDerWaalsContact O-N 3.1Å; S313-D315 PolarHBondContact O-N 3.21Å; S313-T316 WeakPolarHBondContact CB-OG1 3.45Å; S313-T316 PolarHBondContact N-O 3.43Å; S313-T316 PolarHBondContact N-OG1 3.2Å; S313-T316 CarbonylContact O-C 3.54Å; S313-T316 PolarHBondContact O-N 3.09Å |
| 314 | K | 82.7 | Confident | 92.2 | Very high | 165 Ų | 165 | 57.3 Ų | 57.3 | 72% | 0.717 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -36.6 | -179.7 | -60.1 | -172.9 | -179.9 | -173.7 | 0 | 114.2 | G281 M283 | G281-K314 VanDerWaalsContact CA-O 3.22Å; G281-K314 WeakPolarHBondContact CA-O 3.31Å; M283-K314 WeakPolarHBondContact CE-O 3.26Å |
| 315 | D | 86.3 | Confident | 92 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -3.8 | -176.3 | -60.5 | 6.9 | 0 | 0 | 0 | 113.3 | S313 K331 E332 | S313-D315 PolarHBondContact O-N 3.21Å; D315-K331 VanDerWaalsContact O-CA 3.31Å; D315-K331 WeakPolarHBondContact O-CA 3.09Å; D315-E332 PolarHBondContact O-N 3.05Å |
| 316 | T | 91.8 | Very high | 91.9 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 128.3 | -173.8 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | V312 S313 V330 K331 | V312-T316 PolarHBondContact N-O 3.13Å; V312-T316 VanDerWaalsContact N-O 3.13Å; S313-T316 WeakPolarHBondContact CB-OG1 3.45Å; S313-T316 PolarHBondContact N-O 3.43Å; S313-T316 PolarHBondContact N-OG1 3.2Å; S313-T316 CarbonylContact O-C 3.54Å; S313-T316 PolarHBondContact O-N 3.09Å; T316-V330 CarbonylContact C-O 3.52Å; T316-V330 VanDerWaalsContact CA-O 3.27Å; T316-V330 WeakPolarHBondContact CA-O 3.35Å; T316-K331 HydrophobicContact CG2-CG 3.87Å |
| 317 | C | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 171.7 | 178.7 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | M283 I308 D310 M311 N329 V330 | M283-C317 HydrophobicContact CE-CB 4.35Å; M283-C317 HydrophobicContact SD-CB 3.87Å; M283-C317 PolarHBondContact SD-SG 2.84Å; I308-C317 HydrophobicContact CG2-CB 3.9Å; D310-C317 CarbonylContact O-C 3.42Å; D310-C317 VanDerWaalsContact O-CA 3.32Å; D310-C317 WeakPolarHBondContact O-CA 3.39Å; D310-C317 WeakPolarHBondContact O-CB 3.18Å; M311-C317 HydrophobicContact CG-CB 4.35Å; C317-N329 PolarHBondContact O-N 3.49Å; C317-V330 PolarHBondContact N-O 2.97Å; C317-V330 PolarHBondContact O-N 2.8Å |
| 318 | T | 95.4 | Very high | 91.7 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132 | 167.4 | -63.6 | 0 | 0 | 0 | 0 | 109.1 | E309 D310 L326 L327 E328 | E309-T318 PolarHBondContact N-O 3.16Å; D310-T318 PolarHBondContact O-N 3.3Å; T318-L326 HydrophobicContact CG2-CD1 3.97Å; T318-L326 HydrophobicContact CG2-CD2 3.85Å; T318-L326 HydrophobicContact CG2-CG 3.79Å; T318-L327 WeakPolarHBondContact CA-O 3.46Å; T318-E328 HydrophobicContact CG2-CG 4.35Å |
| 319 | V | 95.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.6 | -174.7 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | V289 R307 I308 F321 L326 L327 V330 L335 | V289-V319 HydrophobicContact CG2-CG1 4.02Å; V289-V319 HydrophobicContact CG2-CG2 4.4Å; R307-V319 WeakPolarHBondContact O-CA 3.26Å; I308-V319 HydrophobicContact CG1-CG2 4.45Å; V319-F321 HydrophobicContact CG1-CE1 4.46Å; V319-F321 HydrophobicContact CG1-CE2 4.37Å; V319-F321 HydrophobicContact CG1-CZ 4.3Å; V319-L326 CarbonylContact O-C 3.45Å; V319-L327 PolarHBondContact N-O 3.02Å; V319-L327 PolarHBondContact O-N 3.01Å; V319-V330 HydrophobicContact CB-CG2 4.43Å; V319-V330 HydrophobicContact CG2-CB 4.11Å; V319-V330 HydrophobicContact CG2-CG1 4.22Å; V319-V330 HydrophobicContact CG2-CG2 4.12Å; V319-L335 HydrophobicContact CG2-CD1 4.1Å; V319-L335 HydrophobicContact CG2-CD2 4.32Å |
| 320 | V | 96.1 | Very high | 91.5 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 111 | 171.7 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | G306 R307 E309 L326 | G306-V320 CarbonylContact C-O 3.55Å; G306-V320 WeakPolarHBondContact CA-O 3.44Å; R307-V320 HydrophobicContact CG-CB 4.46Å; R307-V320 PolarHBondContact N-O 2.8Å; R307-V320 PolarHBondContact O-N 3.15Å; E309-V320 HydrophobicContact CB-CG2 4.08Å; E309-V320 HydrophobicContact CG-CG2 4.45Å; E309-V320 VanDerWaalsContact OE2-CG2 3.29Å; E309-V320 WeakPolarHBondContact OE2-CG2 3.49Å; V320-L326 HydrophobicContact CG2-CD1 4.17Å; V320-L326 HydrophobicContact CG2-CG 4.41Å |
| 321 | F | 96 | Very high | 91.6 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.022 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 153.3 | 177.1 | -70.2 | -80.5 | 0 | 0 | 0 | 112 | F291 F301 K304 K305 V319 D323 G324 G325 L327 | F291-F321 HydrophobicContact CB-CE1 3.7Å; F291-F321 HydrophobicContact CB-CZ 3.76Å; F291-F321 HydrophobicContact CD2-CZ 4.08Å; F291-F321 HydrophobicContact CG-CE1 4.46Å; F291-F321 HydrophobicContact CG-CZ 4.05Å; F301-F321 HydrophobicContact CB-CE1 4.4Å; F301-F321 HydrophobicContact CB-CE2 4.36Å; F301-F321 HydrophobicContact CB-CZ 3.88Å; F301-F321 AromaticContact CD1-CD2 3.77Å; F301-F321 HydrophobicContact CD1-CD2 3.77Å; F301-F321 HydrophobicContact CD1-CE1 4.42Å; F301-F321 AromaticContact CD1-CE2 3.36Å; F301-F321 HydrophobicContact CD1-CE2 3.36Å; F301-F321 HydrophobicContact CD1-CG 4.45Å; F301-F321 AromaticContact CD1-CZ 3.74Å; F301-F321 HydrophobicContact CD1-CZ 3.74Å; F301-F321 HydrophobicContact CE1-CD2 4.02Å; F301-F321 AromaticContact CE1-CE2 3.84Å; F301-F321 HydrophobicContact CE1-CE2 3.84Å; F301-F321 HydrophobicContact CG-CE2 4.07Å; F301-F321 HydrophobicContact CG-CZ 4.1Å; K304-F321 HydrophobicContact CB-CD1 3.5Å; K304-F321 VanDerWaalsContact CB-CD1 3.5Å; K304-F321 HydrophobicContact CB-CE1 3.67Å; K304-F321 HydrophobicContact CB-CG 4.48Å; K305-F321 WeakPolarHBondContact O-CA 3.43Å; K305-F321 WeakPolarHBondContact O-CD1 3.36Å; V319-F321 HydrophobicContact CG1-CE1 4.46Å; V319-F321 HydrophobicContact CG1-CE2 4.37Å; V319-F321 HydrophobicContact CG1-CZ 4.3Å; F321-D323 PolarHBondContact O-N 2.82Å; F321-G324 PolarHBondContact O-N 2.68Å; F321-G325 WeakPolarHBondContact CB-O 3.42Å; F321-G325 WeakPolarHBondContact CD2-O 3.46Å; F321-G325 PolarHBondContact N-O 3.44Å; F321-L327 HydrophobicContact CD2-CB 4.4Å; F321-L327 HydrophobicContact CE2-CB 3.74Å; F321-L327 HydrophobicContact CE2-CD2 3.84Å; F321-L327 HydrophobicContact CE2-CG 4.45Å; F321-L327 HydrophobicContact CZ-CD2 4.22Å |
| 322 | D | 93.9 | Very high | 91.8 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.1 | 177.7 | -66 | -19.7 | 0 | 0 | 0 | 112.7 | R288 K305 G324 | R288-D322 IonicContact CZ-OD1 3.6Å; R288-D322 IonicContact CZ-OD2 3.7Å; R288-D322 IonicContact NE-OD1 3.75Å; R288-D322 IonicContact NE-OD2 3.74Å; R288-D322 IonicContact NH2-OD1 2.69Å; R288-D322 PolarHBondContact NH2-OD1 2.88Å; R288-D322 IonicContact NH2-OD2 2.84Å; R288-D322 PolarHBondContact NH2-OD2 2.88Å; K305-D322 WeakPolarHBondContact CB-OD2 3.45Å; K305-D322 PolarHBondContact O-N 2.98Å; D322-G324 PolarHBondContact O-N 2.9Å |
| 323 | D | 92.1 | Very high | 92 | Very high | 116 Ų | 116 | 60.7 Ų | 60.7 | 62% | 0.62 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 3.9 | 173.9 | -54.9 | -41.7 | 0 | 0 | 0 | 114.3 | K304 F321 G325 | K304-D323 WeakPolarHBondContact CD-OD2 3.33Å; K304-D323 WeakPolarHBondContact CE-OD2 3.16Å; K304-D323 IonicContact NZ-OD2 3.9Å; K304-D323 PolarHBondContact NZ-OD2 2.87Å; F321-D323 PolarHBondContact O-N 2.82Å; D323-G325 VanDerWaalsContact C-N 3.26Å; D323-G325 PolarHBondContact O-N 2.85Å |
| 324 | G | 90.3 | Very high | 92.4 | Very high | 65 Ų | 65 | 58 Ų | 58 | 67% | 0.67 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 75.3 | 7.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F321 D322 | F321-G324 PolarHBondContact O-N 2.68Å; D322-G324 PolarHBondContact O-N 2.9Å |
| 325 | G | 91.8 | Very high | 93 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | trans | -83.8 | 126 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F321 D323 | F321-G325 WeakPolarHBondContact CB-O 3.42Å; F321-G325 WeakPolarHBondContact CD2-O 3.46Å; F321-G325 PolarHBondContact N-O 3.44Å; D323-G325 VanDerWaalsContact C-N 3.26Å; D323-G325 PolarHBondContact O-N 2.85Å | ||
| 326 | L | 93.2 | Very high | 93.3 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 45% | 0.45 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 145 | 172.8 | -177.2 | 148.9 | 0 | 0 | 0 | 111 | E309 T318 V319 V320 E328 | E309-L326 WeakPolarHBondContact OE2-CD1 3.37Å; T318-L326 HydrophobicContact CG2-CD1 3.97Å; T318-L326 HydrophobicContact CG2-CD2 3.85Å; T318-L326 HydrophobicContact CG2-CG 3.79Å; V319-L326 CarbonylContact O-C 3.45Å; V320-L326 HydrophobicContact CG2-CD1 4.17Å; V320-L326 HydrophobicContact CG2-CG 4.41Å; L326-E328 HydrophobicContact CD2-CG 3.65Å |
| 327 | L | 93.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 113.9 | 175.8 | -172 | 64.7 | 0 | 0 | 0 | 111.2 | F291 Y296 F301 T318 V319 F321 V330 | F291-L327 HydrophobicContact CD2-CD2 4.35Å; F291-L327 HydrophobicContact CE2-CD2 3.92Å; F291-L327 HydrophobicContact CZ-CD2 4.42Å; Y296-L327 HydrophobicContact CD1-CD2 4.45Å; Y296-L327 HydrophobicContact CE1-CD1 3.89Å; Y296-L327 HydrophobicContact CE1-CD2 3.92Å; Y296-L327 HydrophobicContact CE1-CG 4.48Å; F301-L327 HydrophobicContact CD1-CD2 4.42Å; F301-L327 HydrophobicContact CD2-CD2 4.07Å; F301-L327 HydrophobicContact CE2-CD1 4.14Å; F301-L327 HydrophobicContact CE2-CD2 4.19Å; F301-L327 HydrophobicContact CG-CD2 4.19Å; F301-L327 HydrophobicContact CZ-CD1 4.14Å; F301-L327 HydrophobicContact CZ-CD2 4.41Å; T318-L327 WeakPolarHBondContact CA-O 3.46Å; V319-L327 PolarHBondContact N-O 3.02Å; V319-L327 PolarHBondContact O-N 3.01Å; F321-L327 HydrophobicContact CD2-CB 4.4Å; F321-L327 HydrophobicContact CE2-CB 3.74Å; F321-L327 HydrophobicContact CE2-CD2 3.84Å; F321-L327 HydrophobicContact CE2-CG 4.45Å; F321-L327 HydrophobicContact CZ-CD2 4.22Å; L327-V330 HydrophobicContact CB-CG2 4.11Å; L327-V330 HydrophobicContact CD2-CG2 3.64Å; L327-V330 HydrophobicContact CG-CG2 3.61Å; L327-V330 WeakPolarHBondContact O-CG2 3.33Å |
| 328 | E | 93.8 | Very high | 93.6 | Very high | 120 Ų | 120 | 49.8 Ų | 49.8 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 162.8 | 179.6 | -55.9 | 173.8 | -177.3 | 0 | 0 | 112.6 | T318 L326 V330 | T318-E328 HydrophobicContact CG2-CG 4.35Å; L326-E328 HydrophobicContact CD2-CG 3.65Å; E328-V330 PolarHBondContact O-N 3.12Å; E328-V330 VanDerWaalsContact O-N 3.15Å |
| 329 | N | 92.4 | Very high | 93.5 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.7 | 27.4 | 170.9 | -62.6 | -83.3 | 0 | 0 | 0 | 114.2 | C317 | C317-N329 PolarHBondContact O-N 3.49Å |
| 330 | V | 93.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.1 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | F291 T316 C317 V319 L327 E328 Q334 L335 | F291-V330 HydrophobicContact CD2-CG1 4.04Å; F291-V330 HydrophobicContact CE2-CG1 3.85Å; F291-V330 HydrophobicContact CE2-CG2 4.27Å; T316-V330 CarbonylContact C-O 3.52Å; T316-V330 VanDerWaalsContact CA-O 3.27Å; T316-V330 WeakPolarHBondContact CA-O 3.35Å; C317-V330 PolarHBondContact N-O 2.97Å; C317-V330 PolarHBondContact O-N 2.8Å; V319-V330 HydrophobicContact CB-CG2 4.43Å; V319-V330 HydrophobicContact CG2-CB 4.11Å; V319-V330 HydrophobicContact CG2-CG1 4.22Å; V319-V330 HydrophobicContact CG2-CG2 4.12Å; L327-V330 HydrophobicContact CB-CG2 4.11Å; L327-V330 HydrophobicContact CD2-CG2 3.64Å; L327-V330 HydrophobicContact CG-CG2 3.61Å; L327-V330 WeakPolarHBondContact O-CG2 3.33Å; E328-V330 PolarHBondContact O-N 3.12Å; E328-V330 VanDerWaalsContact O-N 3.15Å; V330-Q334 HydrophobicContact CG1-CB 4.28Å; V330-L335 HydrophobicContact CG1-CD1 3.96Å; V330-L335 HydrophobicContact CG1-CD2 3.83Å; V330-L335 HydrophobicContact CG1-CG 3.77Å |
| 331 | K | 92.6 | Very high | 93.1 | Very high | 104 Ų | 104 | 60.7 Ų | 60.7 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 148.4 | 179.9 | -69 | 179.3 | 179.3 | -174.3 | 0 | 112 | D315 T316 H333 Q334 | D315-K331 VanDerWaalsContact O-CA 3.31Å; D315-K331 WeakPolarHBondContact O-CA 3.09Å; T316-K331 HydrophobicContact CG2-CG 3.87Å; K331-H333 VanDerWaalsContact C-N 3.3Å; K331-H333 PolarHBondContact O-N 2.88Å; K331-Q334 HydrophobicContact CB-CG 4.24Å; K331-Q334 WeakPolarHBondContact O-CA 3.43Å; K331-Q334 WeakPolarHBondContact O-CB 3.26Å; K331-Q334 PolarHBondContact O-N 3.39Å |
| 332 | E | 91.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 63.8 Ų | 63.8 | 19% | 0.192 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -44.4 | -51.4 | 178.7 | -170.8 | -171.8 | 87.4 | 0 | 0 | 112.9 | G281 W282 M283 D315 Q334 L335 | G281-E332 WeakPolarHBondContact CA-OE2 3.37Å; G281-E332 PolarHBondContact N-OE2 3.07Å; W282-E332 HydrophobicContact CD2-CG 4.31Å; W282-E332 HydrophobicContact CG-CG 4.22Å; W282-E332 HydrophobicContact CZ2-CG 4.16Å; W282-E332 PolarHBondContact N-OE2 2.99Å; M283-E332 HydrophobicContact CE-CB 4.1Å; M283-E332 HydrophobicContact CG-CG 4.19Å; M283-E332 HydrophobicContact SD-CB 4.11Å; M283-E332 HydrophobicContact SD-CG 4.43Å; D315-E332 PolarHBondContact O-N 3.05Å; E332-Q334 PolarHBondContact O-N 3.19Å; E332-L335 PolarHBondContact O-N 3.35Å |
| 333 | H | 91.9 | Very high | 92.2 | Very high | 126 Ų | 126 | 63.5 Ų | 63.5 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -68 | -4.4 | -179.4 | 72.1 | -97.1 | 0 | 0 | 0 | 115.6 | K331 | K331-H333 VanDerWaalsContact C-N 3.3Å; K331-H333 PolarHBondContact O-N 2.88Å |
| 334 | Q | 92.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -93.5 | -1.2 | 172.8 | -55.8 | -178.1 | -72.8 | 0 | 0 | 111.7 | F291 I292 D293 V330 K331 E332 | F291-Q334 CarbonylContact C-O 3.59Å; F291-Q334 WeakPolarHBondContact CA-O 3.48Å; F291-Q334 HydrophobicContact CD2-CB 4.45Å; F291-Q334 HydrophobicContact CE2-CB 3.93Å; F291-Q334 HydrophobicContact CZ-CB 4.2Å; I292-Q334 WeakPolarHBondContact CG1-O 3.06Å; I292-Q334 PolarHBondContact N-O 3.05Å; D293-Q334 HydrophobicContact CB-CB 4.09Å; D293-Q334 HydrophobicContact CB-CG 4.02Å; D293-Q334 PolarHBondContact OD2-NE2 2.97Å; V330-Q334 HydrophobicContact CG1-CB 4.28Å; K331-Q334 HydrophobicContact CB-CG 4.24Å; K331-Q334 WeakPolarHBondContact O-CA 3.43Å; K331-Q334 WeakPolarHBondContact O-CB 3.26Å; K331-Q334 PolarHBondContact O-N 3.39Å; E332-Q334 PolarHBondContact O-N 3.19Å |
| 335 | L | 94.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 156.5 | -179.1 | -61.1 | 177.2 | 0 | 0 | 0 | 112 | W282 M283 V289 R290 F291 I308 V319 V330 E332 | W282-L335 HydrophobicContact CH2-CB 3.95Å; W282-L335 HydrophobicContact CZ2-CB 4.04Å; M283-L335 HydrophobicContact SD-CD1 4.31Å; V289-L335 HydrophobicContact CB-CB 4.37Å; V289-L335 HydrophobicContact CB-CD1 4.34Å; V289-L335 HydrophobicContact CB-CD2 4.15Å; V289-L335 HydrophobicContact CG1-CD1 4.32Å; V289-L335 HydrophobicContact CG2-CD1 4.15Å; V289-L335 HydrophobicContact CG2-CD2 3.9Å; R290-L335 CarbonylContact O-C 3.58Å; R290-L335 WeakPolarHBondContact O-CA 3.21Å; F291-L335 HydrophobicContact CB-CD2 4.33Å; F291-L335 HydrophobicContact CD2-CD2 4.01Å; I308-L335 HydrophobicContact CD1-CD1 4.37Å; V319-L335 HydrophobicContact CG2-CD1 4.1Å; V319-L335 HydrophobicContact CG2-CD2 4.32Å; V330-L335 HydrophobicContact CG1-CD1 3.96Å; V330-L335 HydrophobicContact CG1-CD2 3.83Å; V330-L335 HydrophobicContact CG1-CG 3.77Å; E332-L335 PolarHBondContact O-N 3.35Å |
| 336 | E | 93.9 | Very high | 92.3 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.8 | 175.1 | 179.4 | -166.3 | 168.4 | 0 | 0 | 107.2 | V289 R290 I292 | V289-E336 CarbonylContact C-O 3.57Å; V289-E336 WeakPolarHBondContact CA-O 3.41Å; R290-E336 HydrophobicContact CB-CB 4.33Å; R290-E336 WeakPolarHBondContact CD-OE2 3.23Å; R290-E336 IonicContact CZ-OE1 2.73Å; R290-E336 VanDerWaalsContact CZ-OE1 3.26Å; R290-E336 IonicContact CZ-OE2 2.6Å; R290-E336 VanDerWaalsContact CZ-OE2 3.29Å; R290-E336 PolarHBondContact N-O 3.13Å; R290-E336 IonicContact NE-OE2 2.61Å; R290-E336 IonicContact NH1-OE1 3.23Å; R290-E336 PolarHBondContact NH1-OE1 2.98Å; R290-E336 IonicContact NH1-OE2 3.82Å; R290-E336 PolarHBondContact NH1-OE2 3.04Å; R290-E336 IonicContact NH2-OE1 2.95Å; R290-E336 PolarHBondContact NH2-OE1 2.83Å; R290-E336 PolarHBondContact O-N 2.68Å; I292-E336 HydrophobicContact CD1-CB 4.39Å; I292-E336 HydrophobicContact CG2-CB 3.59Å; I292-E336 HydrophobicContact CG2-CG 4.39Å; I292-E336 WeakPolarHBondContact CG2-OE2 3.37Å |
| 337 | T | 94.9 | Very high | 92.4 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 153.4 | 175.6 | 54.2 | 0 | 0 | 0 | 0 | 111 | W282 L350 Y384 A388 | W282-T337 HydrophobicContact CZ3-CG2 4.39Å; T337-L350 HydrophobicContact CG2-CD1 3.49Å; T337-L350 VanDerWaalsContact CG2-CD1 3.49Å; T337-Y384 PolarHBondContact OG1-O 2.69Å; T337-A388 HydrophobicContact CG2-CB 4.24Å |
| 338 | V | 95.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | trans | -118 | 107.3 | 171.6 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | R288 V289 R290 K305 E389 | R288-V338 HydrophobicContact CB-CB 4.14Å; R288-V338 HydrophobicContact CB-CG1 4.45Å; R288-V338 HydrophobicContact CG-CB 4.34Å; R288-V338 HydrophobicContact CG-CG1 4.36Å; R288-V338 WeakPolarHBondContact O-CB 3.22Å; R288-V338 PolarHBondContact O-N 2.88Å; V289-V338 VanDerWaalsContact C-CG2 3.44Å; R290-V338 HydrophobicContact CB-CG2 4.01Å; K305-V338 HydrophobicContact CD-CG1 4.24Å; K305-V338 HydrophobicContact CD-CG2 4.48Å; K305-V338 VanDerWaalsContact CE-CG1 3.46Å; K305-V338 HydrophobicContact CG-CG2 4.29Å; V338-E389 WeakPolarHBondContact CG1-OE2 3.24Å; V338-E389 WeakPolarHBondContact O-CB 3.24Å; V338-E389 PolarHBondContact O-N 2.78Å | ||
| 339 | V | 93.9 | Very high | 92.5 | Very high | 29 Ų | 29 | 53 Ų | 53 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -75 | 132.8 | 169.1 | 178.1 | 0 | 0 | 0 | 0 | 109 | M361 Q364 Y384 F387 | V339-M361 HydrophobicContact CG1-SD 4.39Å; V339-Q364 VanDerWaalsContact CG1-NE2 3.26Å; V339-Y384 HydrophobicContact CG1-CD1 4.28Å; V339-Y384 HydrophobicContact CG1-CE1 4.25Å; V339-Y384 HydrophobicContact CG2-CD1 3.97Å; V339-Y384 HydrophobicContact CG2-CD2 4.33Å; V339-Y384 HydrophobicContact CG2-CG 3.77Å; V339-F387 HydrophobicContact CB-CE2 4.44Å; V339-F387 HydrophobicContact CG1-CE2 3.89Å; V339-F387 HydrophobicContact CG1-CZ 3.94Å; V339-F387 HydrophobicContact CG2-CE2 4.08Å; V339-F387 HydrophobicContact CG2-CZ 4.07Å | ||
| 340 | P | 93.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | trans | -68.1 | 156.4 | 178.1 | 26.2 | -30.2 | 0 | 0 | 0 | 111.4 | A345 V347 M361 E389 | P340-A345 HydrophobicContact CB-CB 3.53Å; P340-A345 HydrophobicContact CG-CB 3.64Å; P340-V347 HydrophobicContact CG-CG1 3.65Å; P340-M361 HydrophobicContact CG-CE 3.92Å; P340-M361 HydrophobicContact CG-SD 4.17Å; P340-E389 HydrophobicContact CB-CB 4.13Å; P340-E389 HydrophobicContact CB-CG 4.01Å; P340-E389 HydrophobicContact CG-CB 4.26Å | ||
| 341 | R | 90 | Very high | 92.4 | Very high | 232 Ų | 232 | 51.7 Ų | 51.7 | 88% | 0.875 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -91 | -25.9 | 179.2 | -76.4 | -175.5 | 170.2 | -174.1 | -4.1 | 114.2 | ||
| 342 | S | 87.9 | Confident | 92.2 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 49% | 0.49 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -87.2 | 126.4 | 174.6 | 44.9 | 0 | 0 | 0 | 0 | 108.9 | A345 M361 | S342-A345 WeakPolarHBondContact O-CB 3.45Å; S342-A345 PolarHBondContact O-N 3.25Å; S342-M361 VanDerWaalsContact O-CE 3.31Å; S342-M361 WeakPolarHBondContact O-CE 3.4Å |
| 343 | C | 82.9 | Confident | 92.1 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 156 | 150.2 | 54.1 | 0 | 0 | 0 | 0 | 109 | A345 | C343-A345 VanDerWaalsContact C-N 3.26Å; C343-A345 PolarHBondContact O-N 3.35Å |
| 344 | N | 90.5 | Very high | 92 | Very high | 96 Ų | 96 | 53.3 Ų | 53.3 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 13.5 | -171.9 | -148.6 | 93.4 | 0 | 0 | 0 | 115.5 | R360 M361 | N344-R360 PolarHBondContact ND2-NE 2.95Å; N344-R360 PolarHBondContact ND2-NH2 2.86Å; N344-R360 VanDerWaalsContact OD1-CZ 3.24Å; N344-R360 PolarHBondContact OD1-NE 2.85Å; N344-R360 PolarHBondContact OD1-NH2 3.04Å; N344-M361 WeakPolarHBondContact CA-O 3.44Å; N344-M361 PolarHBondContact N-O 2.86Å |
| 345 | A | 92.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | trans | -80.3 | 153.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | P340 S342 C343 M361 | P340-A345 HydrophobicContact CB-CB 3.53Å; P340-A345 HydrophobicContact CG-CB 3.64Å; S342-A345 WeakPolarHBondContact O-CB 3.45Å; S342-A345 PolarHBondContact O-N 3.25Å; C343-A345 VanDerWaalsContact C-N 3.26Å; C343-A345 PolarHBondContact O-N 3.35Å; A345-M361 PolarHBondContact O-N 2.91Å | ||
| 346 | E | 93.4 | Very high | 91.7 | Very high | 83 Ų | 83 | 57 Ų | 57 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 141.6 | 169.7 | -68.1 | -179 | -164.9 | 0 | 0 | 111.4 | V358 G359 Y390 | E346-V358 HydrophobicContact CB-CG1 4.3Å; E346-G359 WeakPolarHBondContact CA-O 3.48Å; E346-Y390 PolarHBondContact O-N 3.15Å |
| 347 | V | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.4 | -177.5 | -69.8 | 0 | 0 | 0 | 0 | 110.3 | P340 V358 G359 M361 V373 F387 A388 | P340-V347 HydrophobicContact CG-CG1 3.65Å; V347-V358 CarbonylContact O-C 3.52Å; V347-V358 WeakPolarHBondContact O-CA 3.37Å; V347-G359 WeakPolarHBondContact CG2-O 3.36Å; V347-G359 PolarHBondContact N-O 2.87Å; V347-G359 PolarHBondContact O-N 3.36Å; V347-M361 HydrophobicContact CG1-CB 4.25Å; V347-M361 HydrophobicContact CG2-CB 4.34Å; V347-V373 HydrophobicContact CG2-CB 4.41Å; V347-V373 HydrophobicContact CG2-CG1 3.46Å; V347-V373 VanDerWaalsContact CG2-CG1 3.46Å; V347-V373 HydrophobicContact CG2-CG2 4.01Å; V347-F387 HydrophobicContact CB-CD2 3.86Å; V347-F387 HydrophobicContact CG1-CD2 3.72Å; V347-F387 HydrophobicContact CG1-CE2 3.99Å; V347-F387 HydrophobicContact CG2-CD2 4.31Å; V347-A388 CarbonylContact C-O 3.58Å; V347-A388 WeakPolarHBondContact CA-O 3.34Å; V347-A388 WeakPolarHBondContact CB-O 3.31Å |
| 348 | M | 94.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.9 | 171.2 | -175.3 | 168.7 | -77.7 | 0 | 0 | 110.3 | Y284 V287 R357 V358 F387 A388 Y390 | Y284-M348 WeakPolarHBondContact CB-SD 3.36Å; Y284-M348 HydrophobicContact CD1-SD 3.94Å; Y284-M348 HydrophobicContact CD2-SD 4.15Å; Y284-M348 HydrophobicContact CG-SD 3.55Å; Y284-M348 VanDerWaalsContact CG-SD 3.55Å; V287-M348 HydrophobicContact CG2-CB 3.98Å; V287-M348 HydrophobicContact CG2-CG 4.37Å; V287-M348 HydrophobicContact CG2-SD 3.91Å; M348-R357 WeakPolarHBondContact CA-O 3.32Å; M348-V358 HydrophobicContact CE-CG2 3.61Å; M348-F387 VanDerWaalsContact O-CA 3.26Å; M348-F387 WeakPolarHBondContact O-CA 3.34Å; M348-F387 WeakPolarHBondContact O-CB 3.44Å; M348-A388 PolarHBondContact N-O 3.35Å; M348-A388 PolarHBondContact O-N 2.97Å; M348-A388 VanDerWaalsContact O-N 3.07Å; M348-Y390 HydrophobicContact CB-CD2 4.21Å; M348-Y390 HydrophobicContact CE-CD2 3.81Å; M348-Y390 HydrophobicContact CE-CE2 3.53Å |
| 349 | V | 94.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.5 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | F351 W354 R355 G356 R357 V375 L382 | V349-F351 VanDerWaalsContact CG1-O 3.26Å; V349-F351 WeakPolarHBondContact CG1-O 3.42Å; V349-W354 HydrophobicContact CG1-CB 4.23Å; V349-R355 CarbonylContact O-C 3.55Å; V349-R355 WeakPolarHBondContact O-CA 3.35Å; V349-G356 PolarHBondContact O-N 2.64Å; V349-R357 PolarHBondContact N-O 2.95Å; V349-V375 HydrophobicContact CG2-CG2 3.98Å; V349-L382 HydrophobicContact CG1-CD1 4.17Å; V349-L382 HydrophobicContact CG2-CD1 3.77Å |
| 350 | L | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -104.4 | -20.5 | -170.8 | -52 | 173.2 | 0 | 0 | 0 | 112.9 | W282 Y284 V287 T337 R355 D386 A388 | W282-L350 HydrophobicContact CB-CB 4.46Å; W282-L350 HydrophobicContact CE3-CD1 3.9Å; W282-L350 HydrophobicContact CZ3-CD1 4.37Å; Y284-L350 HydrophobicContact CD2-CD2 4.02Å; V287-L350 HydrophobicContact CG1-CD2 4.41Å; V287-L350 HydrophobicContact CG2-CD2 4.14Å; T337-L350 HydrophobicContact CG2-CD1 3.49Å; T337-L350 VanDerWaalsContact CG2-CD1 3.49Å; L350-R355 WeakPolarHBondContact O-CD 3.37Å; L350-R355 VanDerWaalsContact O-CG 3.32Å; L350-R355 WeakPolarHBondContact O-CG 3.38Å; L350-R355 PolarHBondContact O-NH1 2.85Å; L350-D386 PolarHBondContact N-O 2.79Å; L350-A388 HydrophobicContact CD1-CB 3.99Å | ||
| 351 | F | 90.3 | Very high | 91.5 | Very high | 69 Ų | 69 | 67.7 Ų | 67.7 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -137.2 | 167.2 | -175.8 | -67 | -80.4 | 0 | 0 | 0 | 112.7 | W282 V349 D385 | W282-F351 HydrophobicContact CB-CE1 3.95Å; W282-F351 HydrophobicContact CB-CE2 3.68Å; W282-F351 HydrophobicContact CB-CZ 3.36Å; W282-F351 AromaticContact CD1-CZ 3.87Å; W282-F351 HydrophobicContact CG-CE2 4.1Å; W282-F351 AromaticContact CG-CZ 3.85Å; W282-F351 HydrophobicContact CG-CZ 3.85Å; V349-F351 VanDerWaalsContact CG1-O 3.26Å; V349-F351 WeakPolarHBondContact CG1-O 3.42Å; F351-D385 WeakPolarHBondContact CD2-O 3.33Å; F351-D385 WeakPolarHBondContact CE2-O 3.41Å |
| 352 | G | 88.3 | Confident | 91.6 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 72 | -163.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | W354 R355 | G352-W354 VanDerWaalsContact C-N 3.29Å; G352-W354 PolarHBondContact O-N 2.97Å; G352-R355 VanDerWaalsContact O-CB 3.28Å; G352-R355 WeakPolarHBondContact O-CB 3.29Å; G352-R355 PolarHBondContact O-N 2.83Å |
| 353 | K | 89.1 | Confident | 91.9 | Very high | 176 Ų | 176 | 63 Ų | 63 | 77% | 0.765 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.1 | -173.2 | -177.7 | -169.9 | 170.4 | -157.7 | 0 | 113.8 | ||
| 354 | W | 90.7 | Very high | 92.3 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 24% | 0.242 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 7.8 | -171.2 | -62.7 | 102 | 0 | 0 | 0 | 113.8 | V349 G352 G356 R357 V375 D378 L380 | V349-W354 HydrophobicContact CG1-CB 4.23Å; G352-W354 VanDerWaalsContact C-N 3.29Å; G352-W354 PolarHBondContact O-N 2.97Å; W354-G356 PolarHBondContact O-N 2.79Å; W354-R357 VanDerWaalsContact O-CB 3.31Å; W354-R357 WeakPolarHBondContact O-CB 3.37Å; W354-R357 PolarHBondContact O-N 3.28Å; W354-R357 VanDerWaalsContact O-N 3.07Å; W354-V375 HydrophobicContact CD2-CG1 4.38Å; W354-V375 HydrophobicContact CE3-CG1 3.85Å; W354-V375 HydrophobicContact CZ3-CG1 4.43Å; W354-D378 HydrophobicContact CH2-CB 4.41Å; W354-D378 HydrophobicContact CZ2-CB 4.07Å; W354-D378 WeakPolarHBondContact CZ2-OD2 3.04Å; W354-L380 HydrophobicContact CB-CD1 3.96Å; W354-L380 HydrophobicContact CD2-CD1 4.31Å; W354-L380 HydrophobicContact CG-CD1 3.59Å |
| 355 | R | 90.4 | Very high | 92.4 | Very high | 76 Ų | 76 | 59.6 Ų | 59.6 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 132.4 | 179.2 | 170.1 | 175.2 | 168.7 | 126.7 | -7.1 | 112.7 | G281 Y284 V349 L350 G352 R357 | G281-R355 PolarHBondContact O-NH2 3.05Å; Y284-R355 HydrophobicContact CE2-CG 3.96Å; Y284-R355 VanDerWaalsContact OH-CG 3.28Å; Y284-R355 WeakPolarHBondContact OH-CG 3.31Å; Y284-R355 PolarHBondContact OH-NE 2.93Å; V349-R355 CarbonylContact O-C 3.55Å; V349-R355 WeakPolarHBondContact O-CA 3.35Å; L350-R355 WeakPolarHBondContact O-CD 3.37Å; L350-R355 VanDerWaalsContact O-CG 3.32Å; L350-R355 WeakPolarHBondContact O-CG 3.38Å; L350-R355 PolarHBondContact O-NH1 2.85Å; G352-R355 VanDerWaalsContact O-CB 3.28Å; G352-R355 WeakPolarHBondContact O-CB 3.29Å; G352-R355 PolarHBondContact O-N 2.83Å; R355-R357 VanDerWaalsContact C-N 3.33Å |
| 356 | G | 89.4 | Confident | 92.2 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 0 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V349 W354 | V349-G356 PolarHBondContact O-N 2.64Å; W354-G356 PolarHBondContact O-N 2.79Å |
| 357 | R | 92.6 | Very high | 92.1 | Very high | 154 Ų | 154 | 64.8 Ų | 64.8 | 58% | 0.581 | 34% | 0.339 | S | S | * | . | trans | -92.1 | 143.7 | 170.9 | -63.6 | -59.7 | -165.4 | 162 | 4 | 111.5 | M348 V349 W354 R355 V375 | M348-R357 WeakPolarHBondContact CA-O 3.32Å; V349-R357 PolarHBondContact N-O 2.95Å; W354-R357 VanDerWaalsContact O-CB 3.31Å; W354-R357 WeakPolarHBondContact O-CB 3.37Å; W354-R357 PolarHBondContact O-N 3.28Å; W354-R357 VanDerWaalsContact O-N 3.07Å; R355-R357 VanDerWaalsContact C-N 3.33Å; R357-V375 HydrophobicContact CB-CG1 3.74Å; R357-V375 HydrophobicContact CG-CG1 4.37Å | ||
| 358 | V | 93.1 | Very high | 91.9 | Very high | 55 Ų | 55 | 71 Ų | 71 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 149.2 | 166.6 | -176.7 | 0 | 0 | 0 | 0 | 109 | E346 V347 M348 Y390 | E346-V358 HydrophobicContact CB-CG1 4.3Å; V347-V358 CarbonylContact O-C 3.52Å; V347-V358 WeakPolarHBondContact O-CA 3.37Å; M348-V358 HydrophobicContact CE-CG2 3.61Å; V358-Y390 HydrophobicContact CG1-CD1 4.01Å; V358-Y390 HydrophobicContact CG1-CG 4.37Å; V358-Y390 HydrophobicContact CG2-CD1 3.94Å; V358-Y390 HydrophobicContact CG2-CD2 4.21Å; V358-Y390 HydrophobicContact CG2-CE1 3.92Å; V358-Y390 HydrophobicContact CG2-CE2 4.19Å; V358-Y390 HydrophobicContact CG2-CG 4.08Å |
| 359 | G | 93.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 73.5 Ų | 73.5 | 10% | 0.103 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | -179.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E346 V347 Q374 | E346-G359 WeakPolarHBondContact CA-O 3.48Å; V347-G359 WeakPolarHBondContact CG2-O 3.36Å; V347-G359 PolarHBondContact N-O 2.87Å; V347-G359 PolarHBondContact O-N 3.36Å; G359-Q374 CarbonylContact C-O 3.41Å; G359-Q374 WeakPolarHBondContact CA-O 3.19Å |
| 360 | R | 94 | Very high | 91.7 | Very high | 128 Ų | 128 | 76.3 Ų | 76.3 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.4 | -174.3 | -175.6 | 169.3 | 170.8 | 173.7 | -6.3 | 110.1 | N344 L362 V373 Q374 | N344-R360 PolarHBondContact ND2-NE 2.95Å; N344-R360 PolarHBondContact ND2-NH2 2.86Å; N344-R360 VanDerWaalsContact OD1-CZ 3.24Å; N344-R360 PolarHBondContact OD1-NE 2.85Å; N344-R360 PolarHBondContact OD1-NH2 3.04Å; R360-L362 PolarHBondContact O-N 3.48Å; R360-V373 WeakPolarHBondContact O-CA 3.48Å; R360-Q374 PolarHBondContact N-O 3Å; R360-Q374 PolarHBondContact O-N 2.84Å |
| 361 | M | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 115.5 | 179 | -170.8 | 177.9 | 75 | 0 | 0 | 110.1 | V339 P340 S342 N344 A345 V347 Q364 A371 F387 | V339-M361 HydrophobicContact CG1-SD 4.39Å; P340-M361 HydrophobicContact CG-CE 3.92Å; P340-M361 HydrophobicContact CG-SD 4.17Å; S342-M361 VanDerWaalsContact O-CE 3.31Å; S342-M361 WeakPolarHBondContact O-CE 3.4Å; N344-M361 WeakPolarHBondContact CA-O 3.44Å; N344-M361 PolarHBondContact N-O 2.86Å; A345-M361 PolarHBondContact O-N 2.91Å; V347-M361 HydrophobicContact CG1-CB 4.25Å; V347-M361 HydrophobicContact CG2-CB 4.34Å; M361-Q364 HydrophobicContact CE-CB 4.39Å; M361-Q364 HydrophobicContact SD-CB 4.5Å; M361-A371 HydrophobicContact CG-CB 4.05Å; M361-A371 HydrophobicContact SD-CB 3.95Å; M361-F387 HydrophobicContact SD-CE2 4.09Å; M361-F387 HydrophobicContact SD-CZ 4.27Å |
| 362 | L | 93.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 74.7 Ų | 74.7 | 39% | 0.387 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -53.1 | -178.6 | -59.1 | -177.3 | 0 | 0 | 0 | 111.8 | R360 V372 Q374 | R360-L362 PolarHBondContact O-N 3.48Å; L362-V372 HydrophobicContact CB-CG1 4.45Å; L362-V372 HydrophobicContact CD1-CG1 4.42Å; L362-V372 PolarHBondContact N-O 2.6Å; L362-Q374 HydrophobicContact CD1-CB 4.12Å; L362-Q374 HydrophobicContact CG-CB 4.27Å |
| 363 | E | 92.9 | Very high | 92.3 | Very high | 129 Ų | 129 | 71.6 Ų | 71.6 | 60% | 0.603 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 150.7 | -174.2 | -167 | -174.5 | 173.1 | 0 | 0 | 110.8 | A371 V372 | E363-A371 CarbonylContact O-C 3.57Å; E363-A371 VanDerWaalsContact O-CA 3.28Å; E363-A371 WeakPolarHBondContact O-CA 3.47Å; E363-A371 WeakPolarHBondContact O-CB 3.31Å; E363-V372 HydrophobicContact CB-CB 4.12Å; E363-V372 HydrophobicContact CB-CG2 4.17Å; E363-V372 PolarHBondContact N-O 2.87Å; E363-V372 PolarHBondContact O-N 2.87Å |
| 364 | Q | 92.7 | Very high | 92.5 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 115.3 | -177.9 | -176.6 | 177.3 | 38 | 0 | 0 | 111.7 | V339 M361 Y384 | V339-Q364 VanDerWaalsContact CG1-NE2 3.26Å; M361-Q364 HydrophobicContact CE-CB 4.39Å; M361-Q364 HydrophobicContact SD-CB 4.5Å; Q364-Y384 HydrophobicContact CG-CE1 4.12Å; Q364-Y384 WeakPolarHBondContact CG-OH 3.42Å; Q364-Y384 PolarHBondContact NE2-OH 2.8Å |
| 365 | D | 92.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 90.7 | 172.6 | -175.5 | -15.9 | 0 | 0 | 0 | 110.2 | S367 K368 C369 Q370 | D365-S367 PolarHBondContact O-N 3.27Å; D365-S367 WeakPolarHBondContact OD1-CA 3.18Å; D365-S367 VanDerWaalsContact OD1-CB 3.31Å; D365-S367 WeakPolarHBondContact OD1-CB 3.32Å; D365-S367 PolarHBondContact OD1-N 3.01Å; D365-K368 PolarHBondContact O-N 3.22Å; D365-K368 PolarHBondContact OD1-N 2.93Å; D365-K368 VanDerWaalsContact OD2-CD 3.24Å; D365-K368 WeakPolarHBondContact OD2-CD 3.43Å; D365-K368 WeakPolarHBondContact OD2-CE 3.15Å; D365-K368 VanDerWaalsContact OD2-CG 3.24Å; D365-K368 WeakPolarHBondContact OD2-CG 3.42Å; D365-K368 IonicContact OD2-NZ 3.73Å; D365-K368 PolarHBondContact OD2-NZ 2.85Å; D365-C369 PolarHBondContact O-N 2.79Å; D365-Q370 WeakPolarHBondContact CA-O 3.03Å; D365-Q370 PolarHBondContact N-O 2.81Å; D365-Q370 PolarHBondContact O-N 2.85Å |
| 366 | S | 88.5 | Confident | 92.5 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -8 | 177.1 | -167.1 | 0 | 0 | 0 | 0 | 114.7 | Y384 | S366-Y384 WeakPolarHBondContact CA-OH 3.47Å; S366-Y384 PolarHBondContact N-OH 3.21Å |
| 367 | S | 90.9 | Very high | 92.5 | Very high | 116 Ų | 116 | 70.1 Ų | 70.1 | 81% | 0.811 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -30.1 | 174.4 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | D365 | D365-S367 PolarHBondContact O-N 3.27Å; D365-S367 WeakPolarHBondContact OD1-CA 3.18Å; D365-S367 VanDerWaalsContact OD1-CB 3.31Å; D365-S367 WeakPolarHBondContact OD1-CB 3.32Å; D365-S367 PolarHBondContact OD1-N 3.01Å |
| 368 | K | 91.1 | Very high | 92.5 | Very high | 130 Ų | 130 | 66.5 Ų | 66.5 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 0.3 | 179.5 | -58.6 | -173.1 | -164.3 | 79.2 | 0 | 114 | D365 Q370 | D365-K368 PolarHBondContact O-N 3.22Å; D365-K368 PolarHBondContact OD1-N 2.93Å; D365-K368 VanDerWaalsContact OD2-CD 3.24Å; D365-K368 WeakPolarHBondContact OD2-CD 3.43Å; D365-K368 WeakPolarHBondContact OD2-CE 3.15Å; D365-K368 VanDerWaalsContact OD2-CG 3.24Å; D365-K368 WeakPolarHBondContact OD2-CG 3.42Å; D365-K368 IonicContact OD2-NZ 3.73Å; D365-K368 PolarHBondContact OD2-NZ 2.85Å; K368-Q370 VanDerWaalsContact C-N 3.27Å; K368-Q370 HydrophobicContact CB-CB 4.44Å; K368-Q370 HydrophobicContact CB-CG 4.47Å; K368-Q370 PolarHBondContact O-N 3.47Å |
| 369 | C | 91 | Very high | 92.6 | Very high | 68 Ų | 68 | 68.1 Ų | 68.1 | 46% | 0.459 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 43.4 | -172.6 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | D365 S383 Y384 | D365-C369 PolarHBondContact O-N 2.79Å; C369-S383 WeakPolarHBondContact O-CA 3.48Å; C369-Y384 VanDerWaalsContact C-CD1 3.47Å; C369-Y384 HydrophobicContact CB-CD2 3.75Å; C369-Y384 HydrophobicContact CB-CE2 4.07Å; C369-Y384 HydrophobicContact CB-CG 4.11Å; C369-Y384 WeakPolarHBondContact O-CD1 3.39Å; C369-Y384 PolarHBondContact O-N 2.84Å |
| 370 | Q | 93.7 | Very high | 92.6 | Very high | 60 Ų | 60 | 69 Ų | 69 | 28% | 0.28 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.3 | -176.4 | -75.9 | 175.6 | -6.7 | 0 | 0 | 111.2 | D365 K368 L382 | D365-Q370 WeakPolarHBondContact CA-O 3.03Å; D365-Q370 PolarHBondContact N-O 2.81Å; D365-Q370 PolarHBondContact O-N 2.85Å; K368-Q370 VanDerWaalsContact C-N 3.27Å; K368-Q370 HydrophobicContact CB-CB 4.44Å; K368-Q370 HydrophobicContact CB-CG 4.47Å; K368-Q370 PolarHBondContact O-N 3.47Å; Q370-L382 CarbonylContact C-O 3.58Å; Q370-L382 VanDerWaalsContact CA-O 3.23Å; Q370-L382 WeakPolarHBondContact CA-O 3.28Å |
| 371 | A | 94.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.017 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 158.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M361 E363 V373 K381 L382 Y384 F387 | M361-A371 HydrophobicContact CG-CB 4.05Å; M361-A371 HydrophobicContact SD-CB 3.95Å; E363-A371 CarbonylContact O-C 3.57Å; E363-A371 VanDerWaalsContact O-CA 3.28Å; E363-A371 WeakPolarHBondContact O-CA 3.47Å; E363-A371 WeakPolarHBondContact O-CB 3.31Å; A371-V373 HydrophobicContact CB-CG2 4.36Å; A371-K381 WeakPolarHBondContact O-CA 3.38Å; A371-L382 PolarHBondContact N-O 2.95Å; A371-L382 PolarHBondContact O-N 2.92Å; A371-Y384 HydrophobicContact CB-CE1 4.46Å; A371-F387 HydrophobicContact CB-CE1 3.71Å; A371-F387 HydrophobicContact CB-CE2 4.41Å; A371-F387 HydrophobicContact CB-CZ 3.43Å; A371-F387 VanDerWaalsContact CB-CZ 3.43Å |
| 372 | V | 95 | Very high | 92.6 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 20% | 0.2 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.3 | 168.8 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | L362 E363 T379 L380 | L362-V372 HydrophobicContact CB-CG1 4.45Å; L362-V372 HydrophobicContact CD1-CG1 4.42Å; L362-V372 PolarHBondContact N-O 2.6Å; E363-V372 HydrophobicContact CB-CB 4.12Å; E363-V372 HydrophobicContact CB-CG2 4.17Å; E363-V372 PolarHBondContact N-O 2.87Å; E363-V372 PolarHBondContact O-N 2.87Å; V372-T379 HydrophobicContact CG1-CG2 3.42Å; V372-T379 VanDerWaalsContact CG1-CG2 3.42Å; V372-L380 CarbonylContact C-O 3.59Å; V372-L380 WeakPolarHBondContact CA-O 3.39Å |
| 373 | V | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.7 | -175.6 | -179.4 | 0 | 0 | 0 | 0 | 109 | V347 R360 A371 V375 L380 L382 | V347-V373 HydrophobicContact CG2-CB 4.41Å; V347-V373 HydrophobicContact CG2-CG1 3.46Å; V347-V373 VanDerWaalsContact CG2-CG1 3.46Å; V347-V373 HydrophobicContact CG2-CG2 4.01Å; R360-V373 WeakPolarHBondContact O-CA 3.48Å; A371-V373 HydrophobicContact CB-CG2 4.36Å; V373-V375 HydrophobicContact CG1-CG2 4.05Å; V373-L380 PolarHBondContact N-O 3.1Å; V373-L380 PolarHBondContact O-N 3.04Å; V373-L382 HydrophobicContact CB-CD1 4.18Å; V373-L382 HydrophobicContact CG2-CD1 4.2Å |
| 374 | Q | 94.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 63.8 Ų | 63.8 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.9 | 172 | -177.4 | 176.6 | 2.7 | 0 | 0 | 109.7 | G359 R360 L362 A376 D378 | G359-Q374 CarbonylContact C-O 3.41Å; G359-Q374 WeakPolarHBondContact CA-O 3.19Å; R360-Q374 PolarHBondContact N-O 3Å; R360-Q374 PolarHBondContact O-N 2.84Å; L362-Q374 HydrophobicContact CD1-CB 4.12Å; L362-Q374 HydrophobicContact CG-CB 4.27Å; Q374-A376 VanDerWaalsContact CG-O 3.25Å; Q374-A376 WeakPolarHBondContact CG-O 3.04Å; Q374-A376 PolarHBondContact NE2-O 2.89Å; Q374-A376 VanDerWaalsContact NE2-O 3.1Å; Q374-D378 WeakPolarHBondContact CA-O 3.5Å |
| 375 | V | 92.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 107.4 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | V349 W354 R357 V373 D377 D378 L380 | V349-V375 HydrophobicContact CG2-CG2 3.98Å; W354-V375 HydrophobicContact CD2-CG1 4.38Å; W354-V375 HydrophobicContact CE3-CG1 3.85Å; W354-V375 HydrophobicContact CZ3-CG1 4.43Å; R357-V375 HydrophobicContact CB-CG1 3.74Å; R357-V375 HydrophobicContact CG-CG1 4.37Å; V373-V375 HydrophobicContact CG1-CG2 4.05Å; V375-D377 PolarHBondContact O-N 2.61Å; V375-D378 PolarHBondContact N-O 3.38Å; V375-D378 PolarHBondContact O-N 3.32Å; V375-D378 VanDerWaalsContact O-N 3.13Å; V375-L380 HydrophobicContact CB-CD1 4.08Å; V375-L380 HydrophobicContact CG2-CD1 3.72Å |
| 376 | A | 88 | Confident | 92.5 | Very high | 76 Ų | 76 | 66.3 Ų | 66.3 | 63% | 0.628 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | -125.4 | -163 | 0 | 0 | 0 | 0 | 0 | 111 | Q374 | Q374-A376 VanDerWaalsContact CG-O 3.25Å; Q374-A376 WeakPolarHBondContact CG-O 3.04Å; Q374-A376 PolarHBondContact NE2-O 2.89Å; Q374-A376 VanDerWaalsContact NE2-O 3.1Å |
| 377 | D | 89.3 | Confident | 92.8 | Very high | 158 Ų | 158 | 62 Ų | 62 | 85% | 0.845 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -17.9 | 179.5 | -56.3 | -53.3 | 0 | 0 | 0 | 113.6 | V375 | V375-D377 PolarHBondContact O-N 2.61Š|
| 378 | D | 92.9 | Very high | 93 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.9 | -174.2 | -95.5 | -39.4 | 0 | 0 | 0 | 112.1 | W354 Q374 V375 L380 | W354-D378 HydrophobicContact CH2-CB 4.41Å; W354-D378 HydrophobicContact CZ2-CB 4.07Å; W354-D378 WeakPolarHBondContact CZ2-OD2 3.04Å; Q374-D378 WeakPolarHBondContact CA-O 3.5Å; V375-D378 PolarHBondContact N-O 3.38Å; V375-D378 PolarHBondContact O-N 3.32Å; V375-D378 VanDerWaalsContact O-N 3.13Å; D378-L380 HydrophobicContact CB-CD2 4.41Å |
| 379 | T | 93.9 | Very high | 93.2 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 54% | 0.54 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.9 | 175.4 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | V372 | V372-T379 HydrophobicContact CG1-CG2 3.42Å; V372-T379 VanDerWaalsContact CG1-CG2 3.42Å |
| 380 | L | 93.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145.1 | -171.5 | -52.5 | 175.9 | 0 | 0 | 0 | 111.1 | W354 V372 V373 V375 D378 L382 | W354-L380 HydrophobicContact CB-CD1 3.96Å; W354-L380 HydrophobicContact CD2-CD1 4.31Å; W354-L380 HydrophobicContact CG-CD1 3.59Å; V372-L380 CarbonylContact C-O 3.59Å; V372-L380 WeakPolarHBondContact CA-O 3.39Å; V373-L380 PolarHBondContact N-O 3.1Å; V373-L380 PolarHBondContact O-N 3.04Å; V375-L380 HydrophobicContact CB-CD1 4.08Å; V375-L380 HydrophobicContact CG2-CD1 3.72Å; D378-L380 HydrophobicContact CB-CD2 4.41Å; L380-L382 HydrophobicContact CB-CD2 4.33Å; L380-L382 HydrophobicContact CB-CG 4.17Å |
| 381 | K | 94.4 | Very high | 93.3 | Very high | 127 Ų | 127 | 50.4 Ų | 50.4 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.8 | 168.1 | -157.3 | -171.3 | -165.1 | -157.8 | 0 | 109.5 | A371 | A371-K381 WeakPolarHBondContact O-CA 3.38Å |
| 382 | L | 93.9 | Very high | 93 | Very high | 25 Ų | 25 | 51.1 Ų | 51.1 | 13% | 0.131 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.9 | -171.9 | -61.3 | 179.9 | 0 | 0 | 0 | 110.7 | V349 Q370 A371 V373 L380 D386 F387 | V349-L382 HydrophobicContact CG1-CD1 4.17Å; V349-L382 HydrophobicContact CG2-CD1 3.77Å; Q370-L382 CarbonylContact C-O 3.58Å; Q370-L382 VanDerWaalsContact CA-O 3.23Å; Q370-L382 WeakPolarHBondContact CA-O 3.28Å; A371-L382 PolarHBondContact N-O 2.95Å; A371-L382 PolarHBondContact O-N 2.92Å; V373-L382 HydrophobicContact CB-CD1 4.18Å; V373-L382 HydrophobicContact CG2-CD1 4.2Å; L380-L382 HydrophobicContact CB-CD2 4.33Å; L380-L382 HydrophobicContact CB-CG 4.17Å; L382-D386 HydrophobicContact CB-CB 4.07Å; L382-D386 HydrophobicContact CD2-CB 4.36Å; L382-F387 HydrophobicContact CB-CD1 3.76Å; L382-F387 HydrophobicContact CB-CE1 4.24Å; L382-F387 HydrophobicContact CD1-CB 4.32Å; L382-F387 HydrophobicContact CD1-CD1 4.37Å |
| 383 | S | 93.5 | Very high | 92.2 | Very high | 34 Ų | 34 | 56.5 Ų | 56.5 | 24% | 0.238 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 162.3 | 169.3 | 77.4 | 0 | 0 | 0 | 0 | 111.4 | C369 D385 D386 F387 | C369-S383 WeakPolarHBondContact O-CA 3.48Å; S383-D385 PolarHBondContact O-N 3.29Å; S383-D385 VanDerWaalsContact O-N 3.12Å; S383-D385 PolarHBondContact OG-N 3.42Å; S383-D386 WeakPolarHBondContact CA-OD2 3.38Å; S383-D386 VanDerWaalsContact CB-OD2 3.24Å; S383-D386 WeakPolarHBondContact CB-OD2 3.08Å; S383-D386 PolarHBondContact N-OD2 3.3Å; S383-D386 WeakPolarHBondContact O-CB 3.16Å; S383-D386 PolarHBondContact O-N 3.44Å; S383-D386 VanDerWaalsContact OG-CG 3.28Å; S383-D386 PolarHBondContact OG-OD2 2.94Å; S383-F387 WeakPolarHBondContact O-CD1 3.4Å; S383-F387 WeakPolarHBondContact O-CE1 3.25Å |
| 384 | Y | 92.3 | Very high | 90.9 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 14% | 0.137 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.1 | 178 | -68.5 | -4.8 | 0 | 0 | 0 | 115 | T337 V339 Q364 S366 C369 A371 F387 | T337-Y384 PolarHBondContact OG1-O 2.69Å; V339-Y384 HydrophobicContact CG1-CD1 4.28Å; V339-Y384 HydrophobicContact CG1-CE1 4.25Å; V339-Y384 HydrophobicContact CG2-CD1 3.97Å; V339-Y384 HydrophobicContact CG2-CD2 4.33Å; V339-Y384 HydrophobicContact CG2-CG 3.77Å; Q364-Y384 HydrophobicContact CG-CE1 4.12Å; Q364-Y384 WeakPolarHBondContact CG-OH 3.42Å; Q364-Y384 PolarHBondContact NE2-OH 2.8Å; S366-Y384 WeakPolarHBondContact CA-OH 3.47Å; S366-Y384 PolarHBondContact N-OH 3.21Å; C369-Y384 VanDerWaalsContact C-CD1 3.47Å; C369-Y384 HydrophobicContact CB-CD2 3.75Å; C369-Y384 HydrophobicContact CB-CE2 4.07Å; C369-Y384 HydrophobicContact CB-CG 4.11Å; C369-Y384 WeakPolarHBondContact O-CD1 3.39Å; C369-Y384 PolarHBondContact O-N 2.84Å; A371-Y384 HydrophobicContact CB-CE1 4.46Å; Y384-F387 HydrophobicContact CD1-CE1 4.04Å; Y384-F387 AromaticContact CD1-CZ 3.93Å; Y384-F387 HydrophobicContact CD1-CZ 3.93Å; Y384-F387 HydrophobicContact CE1-CZ 4.41Å |
| 385 | D | 91.2 | Very high | 89.3 | Confident | 116 Ų | 116 | 62.3 Ų | 62.3 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -18.9 | 174.2 | -58.1 | -32.1 | 0 | 0 | 0 | 111.6 | F351 S383 | F351-D385 WeakPolarHBondContact CD2-O 3.33Å; F351-D385 WeakPolarHBondContact CE2-O 3.41Å; S383-D385 PolarHBondContact O-N 3.29Å; S383-D385 VanDerWaalsContact O-N 3.12Å; S383-D385 PolarHBondContact OG-N 3.42Å |
| 386 | D | 92.9 | Very high | 87.3 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -15.6 | -178.1 | -66.2 | -58.5 | 0 | 0 | 0 | 114.1 | L350 L382 S383 | L350-D386 PolarHBondContact N-O 2.79Å; L382-D386 HydrophobicContact CB-CB 4.07Å; L382-D386 HydrophobicContact CD2-CB 4.36Å; S383-D386 WeakPolarHBondContact CA-OD2 3.38Å; S383-D386 VanDerWaalsContact CB-OD2 3.24Å; S383-D386 WeakPolarHBondContact CB-OD2 3.08Å; S383-D386 PolarHBondContact N-OD2 3.3Å; S383-D386 WeakPolarHBondContact O-CB 3.16Å; S383-D386 PolarHBondContact O-N 3.44Å; S383-D386 VanDerWaalsContact OG-CG 3.28Å; S383-D386 PolarHBondContact OG-OD2 2.94Å |
| 387 | F | 94.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 164.7 | -175.7 | 73.7 | -87.5 | 0 | 0 | 0 | 112.9 | V339 V347 M348 M361 A371 L382 S383 Y384 | V339-F387 HydrophobicContact CB-CE2 4.44Å; V339-F387 HydrophobicContact CG1-CE2 3.89Å; V339-F387 HydrophobicContact CG1-CZ 3.94Å; V339-F387 HydrophobicContact CG2-CE2 4.08Å; V339-F387 HydrophobicContact CG2-CZ 4.07Å; V347-F387 HydrophobicContact CB-CD2 3.86Å; V347-F387 HydrophobicContact CG1-CD2 3.72Å; V347-F387 HydrophobicContact CG1-CE2 3.99Å; V347-F387 HydrophobicContact CG2-CD2 4.31Å; M348-F387 VanDerWaalsContact O-CA 3.26Å; M348-F387 WeakPolarHBondContact O-CA 3.34Å; M348-F387 WeakPolarHBondContact O-CB 3.44Å; M361-F387 HydrophobicContact SD-CE2 4.09Å; M361-F387 HydrophobicContact SD-CZ 4.27Å; A371-F387 HydrophobicContact CB-CE1 3.71Å; A371-F387 HydrophobicContact CB-CE2 4.41Å; A371-F387 HydrophobicContact CB-CZ 3.43Å; A371-F387 VanDerWaalsContact CB-CZ 3.43Å; L382-F387 HydrophobicContact CB-CD1 3.76Å; L382-F387 HydrophobicContact CB-CE1 4.24Å; L382-F387 HydrophobicContact CD1-CB 4.32Å; L382-F387 HydrophobicContact CD1-CD1 4.37Å; S383-F387 WeakPolarHBondContact O-CD1 3.4Å; S383-F387 WeakPolarHBondContact O-CE1 3.25Å; Y384-F387 HydrophobicContact CD1-CE1 4.04Å; Y384-F387 AromaticContact CD1-CZ 3.93Å; Y384-F387 HydrophobicContact CD1-CZ 3.93Å; Y384-F387 HydrophobicContact CE1-CZ 4.41Å |
| 388 | A | 95.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 158.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V287 T337 V347 M348 L350 Y390 | V287-A388 HydrophobicContact CG1-CB 3.49Å; V287-A388 VanDerWaalsContact CG1-CB 3.49Å; T337-A388 HydrophobicContact CG2-CB 4.24Å; V347-A388 CarbonylContact C-O 3.58Å; V347-A388 WeakPolarHBondContact CA-O 3.34Å; V347-A388 WeakPolarHBondContact CB-O 3.31Å; M348-A388 PolarHBondContact N-O 3.35Å; M348-A388 PolarHBondContact O-N 2.97Å; M348-A388 VanDerWaalsContact O-N 3.07Å; L350-A388 HydrophobicContact CD1-CB 3.99Å; A388-Y390 PolarHBondContact O-N 3.4Å |
| 389 | E | 95.4 | Very high | 84.4 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 123.2 | 173.3 | -178.8 | -178.5 | 153.2 | 0 | 0 | 110.6 | R288 V338 P340 V391 | R288-E389 HydrophobicContact CB-CB 3.95Å; R288-E389 HydrophobicContact CB-CG 4.2Å; R288-E389 WeakPolarHBondContact CB-O 3.42Å; R288-E389 WeakPolarHBondContact CD-OE1 3Å; R288-E389 IonicContact CZ-OE1 2.73Å; R288-E389 PolarHBondContact N-O 2.92Å; R288-E389 IonicContact NE-OE1 3.72Å; R288-E389 IonicContact NH1-OE1 3.7Å; R288-E389 PolarHBondContact NH1-OE1 3.32Å; V338-E389 WeakPolarHBondContact CG1-OE2 3.24Å; V338-E389 WeakPolarHBondContact O-CB 3.24Å; V338-E389 PolarHBondContact O-N 2.78Å; P340-E389 HydrophobicContact CB-CB 4.13Å; P340-E389 HydrophobicContact CB-CG 4.01Å; P340-E389 HydrophobicContact CG-CB 4.26Å; E389-V391 HydrophobicContact CG-CG2 4.13Å |
| 390 | Y | 95.2 | Very high | 83.9 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 16% | 0.157 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -94.4 | 135.4 | 175.4 | -173.5 | -110.4 | 0 | 0 | 0 | 109.5 | M286 E346 M348 V358 A388 | M286-Y390 HydrophobicContact CB-CD2 4.36Å; M286-Y390 HydrophobicContact CB-CE2 3.83Å; E346-Y390 PolarHBondContact O-N 3.15Å; M348-Y390 HydrophobicContact CB-CD2 4.21Å; M348-Y390 HydrophobicContact CE-CD2 3.81Å; M348-Y390 HydrophobicContact CE-CE2 3.53Å; V358-Y390 HydrophobicContact CG1-CD1 4.01Å; V358-Y390 HydrophobicContact CG1-CG 4.37Å; V358-Y390 HydrophobicContact CG2-CD1 3.94Å; V358-Y390 HydrophobicContact CG2-CD2 4.21Å; V358-Y390 HydrophobicContact CG2-CE1 3.92Å; V358-Y390 HydrophobicContact CG2-CE2 4.19Å; V358-Y390 HydrophobicContact CG2-CG 4.08Å; A388-Y390 PolarHBondContact O-N 3.4Å |
| 391 | V | 92.3 | Very high | 83.4 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | trans | -136 | 37.2 | -178 | -157.1 | 0 | 0 | 0 | 0 | 110.1 | M286 R288 E389 | M286-V391 PolarHBondContact O-N 2.83Å; R288-V391 HydrophobicContact CB-CG2 4.04Å; R288-V391 HydrophobicContact CG-CG2 4.38Å; E389-V391 HydrophobicContact CG-CG2 4.13Å | ||
| 392 | G | 86.9 | Confident | 82.7 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 19% | 0.186 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -86.4 | 169.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 393 | D | 79.3 | Confident | 81.9 | Confident | 145 Ų | 145 | 73.3 Ų | 73.3 | 78% | 0.775 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 144.2 | 163.5 | -58.4 | -66.5 | 0 | 0 | 0 | 109.1 | V395 | D393-V395 PolarHBondContact O-N 3.44Š|
| 394 | P | 67.7 | Low | 81.1 | Confident | 86 Ų | 86 | 76.1 Ų | 76.1 | 56% | 0.558 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 128.1 | 174.8 | 26.9 | -33.8 | 0 | 0 | 0 | 109.2 | D396 | P394-D396 PolarHBondContact O-N 2.71Š|
| 395 | V | 61.3 | Low | 80.2 | Confident | 111 Ų | 111 | 79.3 Ų | 79.3 | 67% | 0.673 | 44% | 0.442 | S | S | * | . | trans | -79.6 | 107.3 | 171.1 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | D393 D397 | D393-V395 PolarHBondContact O-N 3.44Å; V395-D397 PolarHBondContact O-N 2.96Å; V395-D397 VanDerWaalsContact O-N 3.15Å | ||
| 396 | D | 49 | Very low | 79.3 | Confident | 160 Ų | 160 | 76.3 Ų | 76.3 | 86% | 0.856 | 43% | 0.428 | S | S | * | . | trans | -65.9 | 104.1 | 165 | -68.1 | -50.5 | 0 | 0 | 0 | 108.6 | P394 | P394-D396 PolarHBondContact O-N 2.71Š| ||
| 397 | D | 42.3 | Very low | 78.1 | Confident | 217 Ų | 217 | 78.9 Ų | 78.9 | 100% | 1.16 | 44% | 0.444 | S | S | * | . | trans | -80.1 | 0 | 168.9 | -91.5 | -37.7 | 0 | 0 | 0 | 111.4 | V395 | V395-D397 PolarHBondContact O-N 2.96Å; V395-D397 VanDerWaalsContact O-N 3.15Å |
Retrieved 397 of 397 residues in 433.2 ms
(Link to these results)