| 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 | G | 34.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 100% | 1.237 | 86% | 0.855 | S | S | * | * | 0 | 61.5 | 0 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 2 | E | 33.6 | Very low | 35.3 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -84.6 | 170.7 | -176.8 | -63.7 | 103 | 127.4 | 0 | 0 | 111.4 | ||||
| 3 | G | 36 | Very low | 35 | Very low | 65 Ų | 65 | 147.2 Ų | 147.2 | 67% | 0.67 | 84% | 0.835 | S | S | * | * | trans | -141.4 | 157.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 4 | I | 40 | Very low | 34.7 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -170 | 147.9 | 162.1 | -98.3 | 148.2 | 0 | 0 | 0 | 105.3 | ||||
| 5 | E | 37.9 | Very low | 34.4 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -102.6 | 166.3 | -177.7 | -65 | 176.9 | 121.1 | 0 | 0 | 112 | ||||
| 6 | D | 38.5 | Very low | 34.1 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -83.3 | 177.3 | -154.4 | -80.2 | -55.2 | 0 | 0 | 0 | 118.8 | ||||
| 7 | E | 36.9 | Very low | 33.9 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -79.7 | 134.8 | -169 | -68.8 | -163.8 | 95.8 | 0 | 0 | 117.9 | ||||
| 8 | Q | 35.8 | Very low | 33.7 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | 29.2 | 125.8 | 116.5 | -161.4 | -173.4 | 136 | 0 | 0 | 121.5 | |||||
| 9 | G | 29.6 | Very low | 33.8 | Very low | 61 Ų | 61 | 145.8 Ų | 145.8 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | 131.2 | 164.6 | 121.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 10 | V | 34.8 | Very low | 33.7 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 73.9 | 115.5 | 164.2 | -170 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 11 | K | 35.8 | Very low | 33.6 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | 77.1 | 147.2 | 52.9 | -65.9 | 179.3 | 179.1 | 179.8 | 0 | 113.1 | |||||
| 12 | S | 30.4 | Very low | 34 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | cis | -156.7 | -158.3 | -1.2 | -156.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 13 | E | 31.2 | Very low | 34.1 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 96.3 | 120.4 | 159 | -65.6 | 148.6 | -132.4 | 0 | 0 | 116.3 | ||||
| 14 | D | 31.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | 88.2 | 136.1 | 46.7 | -74.8 | -54 | 0 | 0 | 0 | 113 | ||||
| 15 | Y | 30 | Very low | 34.2 | Very low | 207 Ų | 207 | 148.3 Ų | 148.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | cis | -157.2 | -172.8 | -10.2 | -161 | -110.4 | 0 | 0 | 0 | 110.6 | ||||
| 16 | E | 30.4 | Very low | 34.7 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -46.7 | 155.2 | -179.4 | -85.3 | -82.7 | -167.4 | 0 | 0 | 119.2 | ||||
| 17 | D | 30.7 | Very low | 35.2 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | -174.6 | 137.6 | 108.1 | -168.5 | 31 | 0 | 0 | 0 | 116.1 | |||||
| 18 | S | 30.3 | Very low | 35.7 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 54% | 0.538 | 75% | 0.753 | S | S | . | * | trans | 87.1 | 122.2 | 140.7 | -92.8 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 19 | L | 34.8 | Very low | 35.9 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | 90.3 | 145.8 | 144 | -63.9 | 172.8 | 0 | 0 | 0 | 121.2 | ||||
| 20 | Q | 31.5 | Very low | 37 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -130.1 | 132.7 | -146.1 | -60.3 | 156.5 | -46.6 | 0 | 0 | 114.8 | ||||
| 21 | K | 31.2 | Very low | 37.9 | Very low | 201 Ų | 201 | 152.1 Ų | 152.1 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | 64.3 | 171.6 | 142.6 | -83.2 | 179.8 | 177.2 | 174.7 | 0 | 118.8 | ||||
| 22 | P | 44.1 | Very low | 39.1 | Very low | 101 Ų | 101 | 149 Ų | 149 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | cis | -127 | 179.6 | -3 | 33.8 | -14.6 | 0 | 0 | 0 | 116.1 | ||||
| 23 | L | 34.8 | Very low | 40.9 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 88% | 0.88 | 74% | 0.74 | S | S | * | * | trans | 74.5 | 136.7 | 167.9 | -43.2 | -179.2 | 0 | 0 | 0 | 115.6 | ||||
| 24 | D | 32.1 | Very low | 41.9 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | cis | -136.2 | 132.4 | 4.4 | 176.6 | -27 | 0 | 0 | 0 | 109.1 | T26 | D24-T26 VanDerWaalsContact C-N 3.31Å; D24-T26 PolarHBondContact O-N 3.09Å; D24-T26 WeakPolarHBondContact OD1-CB 3.26Å; D24-T26 PolarHBondContact OD1-N 2.86Å; D24-T26 PolarHBondContact OD1-OG1 3.01Å | ||
| 25 | P | 45.9 | Very low | 43.4 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -78.7 | 4.7 | -173.4 | 33.7 | -38.1 | 0 | 0 | 0 | 116.3 | I27 | P25-I27 PolarHBondContact O-N 2.69Š| ||
| 26 | T | 47.8 | Very low | 45.1 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | -85.4 | -1.5 | -160.2 | -50.8 | 0 | 0 | 0 | 0 | 116.3 | D24 | D24-T26 VanDerWaalsContact C-N 3.31Å; D24-T26 PolarHBondContact O-N 3.09Å; D24-T26 WeakPolarHBondContact OD1-CB 3.26Å; D24-T26 PolarHBondContact OD1-N 2.86Å; D24-T26 PolarHBondContact OD1-OG1 3.01Å | ||
| 27 | I | 50 | Low | 46.4 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 84% | 0.841 | 71% | 0.708 | S | S | * | * | trans | -129.3 | 80 | -171.3 | -43.1 | 179.8 | 0 | 0 | 0 | 113.7 | P25 | P25-I27 PolarHBondContact O-N 2.69Š| ||
| 28 | K | 47.5 | Very low | 47.5 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 71% | 0.709 | 71% | 0.706 | S | S | * | * | trans | -150.6 | 141.2 | 159.2 | -146.4 | 177.6 | 179 | -161 | 0 | 111.6 | ||||
| 29 | Y | 40.3 | Very low | 48.4 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | trans | 68.1 | 91.1 | 179.2 | -50.3 | -72.8 | 0 | 0 | 0 | 116.1 | Y31 | Y29-Y31 VanDerWaalsContact C-N 3.27Š| ||
| 30 | Q | 52 | Low | 49.1 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -89.4 | 12.9 | 167.3 | -178.6 | 50.9 | 96.3 | 0 | 0 | 112.3 | ||||
| 31 | Y | 53.1 | Low | 50.1 | Low | 203 Ų | 203 | 139.4 Ų | 139.4 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -113.6 | 117.9 | 177.8 | -64.7 | -74.9 | 0 | 0 | 0 | 108.7 | Y29 R33 | Y29-Y31 VanDerWaalsContact C-N 3.27Å; Y31-R33 PolarHBondContact O-N 3.17Å |
| 32 | L | 61.5 | Low | 51.1 | Low | 129 Ų | 129 | 139.7 Ų | 139.7 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | trans | -53.7 | 126.8 | 173 | -161.9 | 76.9 | 0 | 0 | 0 | 108.7 | D36 L37 | L32-D36 HydrophobicContact CD1-CB 3.49Å; L32-D36 VanDerWaalsContact CD1-CB 3.49Å; L32-D36 WeakPolarHBondContact CD1-OD2 3.19Å; L32-D36 HydrophobicContact CD2-CB 4.48Å; L32-D36 HydrophobicContact CG-CB 3.69Å; L32-L37 HydrophobicContact CD2-CG 4.5Å | ||
| 33 | R | 68.1 | Low | 51.5 | Low | 152 Ų | 152 | 137.9 Ų | 137.9 | 57% | 0.574 | 71% | 0.711 | S | S | * | * | trans | -101 | 168.3 | -178.2 | -160.6 | 167.1 | 57 | -172.3 | -8.9 | 110 | Y31 E35 D36 | Y31-R33 PolarHBondContact O-N 3.17Å; R33-E35 VanDerWaalsContact C-N 3.25Å; R33-E35 VanDerWaalsContact CB-OE2 3.25Å; R33-E35 WeakPolarHBondContact CB-OE2 3.36Å; R33-E35 WeakPolarHBondContact CG-OE2 3.47Å; R33-E35 IonicContact CZ-OE1 3.79Å; R33-E35 IonicContact CZ-OE2 3.57Å; R33-E35 VanDerWaalsContact NE-CD 3.31Å; R33-E35 IonicContact NE-OE1 2.72Å; R33-E35 PolarHBondContact NE-OE1 2.9Å; R33-E35 IonicContact NE-OE2 2.63Å; R33-E35 PolarHBondContact NE-OE2 2.83Å; R33-E35 IonicContact NH2-OE1 3.94Å; R33-E35 PolarHBondContact NH2-OE1 2.9Å; R33-E35 PolarHBondContact O-N 3.44Å; R33-D36 PolarHBondContact N-OD2 3.47Å; R33-D36 WeakPolarHBondContact O-CB 3.36Å; R33-D36 PolarHBondContact O-N 3.05Å | ||
| 34 | E | 52.8 | Low | 52.4 | Low | 164 Ų | 164 | 134.4 Ų | 134.4 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -64.9 | -27.8 | -167.7 | -69.1 | 166.6 | -144.6 | 0 | 0 | 112.6 | D36 L37 | E34-D36 VanDerWaalsContact C-N 3.34Å; E34-D36 PolarHBondContact O-N 3.36Å; E34-L37 PolarHBondContact O-N 2.85Å |
| 35 | E | 62.3 | Low | 53.7 | Low | 88 Ų | 88 | 131.4 Ų | 131.4 | 41% | 0.411 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -68.4 | -28 | 173 | 70.3 | -92.1 | -141.7 | 0 | 0 | 114 | R33 L37 E38 | R33-E35 VanDerWaalsContact C-N 3.25Å; R33-E35 VanDerWaalsContact CB-OE2 3.25Å; R33-E35 WeakPolarHBondContact CB-OE2 3.36Å; R33-E35 WeakPolarHBondContact CG-OE2 3.47Å; R33-E35 IonicContact CZ-OE1 3.79Å; R33-E35 IonicContact CZ-OE2 3.57Å; R33-E35 VanDerWaalsContact NE-CD 3.31Å; R33-E35 IonicContact NE-OE1 2.72Å; R33-E35 PolarHBondContact NE-OE1 2.9Å; R33-E35 IonicContact NE-OE2 2.63Å; R33-E35 PolarHBondContact NE-OE2 2.83Å; R33-E35 IonicContact NH2-OE1 3.94Å; R33-E35 PolarHBondContact NH2-OE1 2.9Å; R33-E35 PolarHBondContact O-N 3.44Å; E35-L37 PolarHBondContact O-N 3.4Å; E35-E38 PolarHBondContact O-N 3.44Å |
| 36 | D | 64.9 | Low | 54.7 | Low | 89 Ų | 89 | 129 Ų | 129 | 48% | 0.476 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -68.8 | -18.6 | 177.4 | -59.4 | -52.7 | 0 | 0 | 0 | 111.8 | L32 R33 E34 | L32-D36 HydrophobicContact CD1-CB 3.49Å; L32-D36 VanDerWaalsContact CD1-CB 3.49Å; L32-D36 WeakPolarHBondContact CD1-OD2 3.19Å; L32-D36 HydrophobicContact CD2-CB 4.48Å; L32-D36 HydrophobicContact CG-CB 3.69Å; R33-D36 PolarHBondContact N-OD2 3.47Å; R33-D36 WeakPolarHBondContact O-CB 3.36Å; R33-D36 PolarHBondContact O-N 3.05Å; E34-D36 VanDerWaalsContact C-N 3.34Å; E34-D36 PolarHBondContact O-N 3.36Å |
| 37 | L | 58.2 | Low | 55.9 | Low | 126 Ų | 126 | 130.4 Ų | 130.4 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -85.8 | -25 | 175.4 | -80.7 | 157.9 | 0 | 0 | 0 | 112.4 | L32 E34 E35 | L32-L37 HydrophobicContact CD2-CG 4.5Å; E34-L37 PolarHBondContact O-N 2.85Å; E35-L37 PolarHBondContact O-N 3.4Å |
| 38 | E | 53.9 | Low | 56.8 | Low | 149 Ų | 149 | 128.2 Ų | 128.2 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -76.1 | -30.5 | -179.8 | -63.3 | -158.3 | 109.1 | 0 | 0 | 112.7 | E35 G40 S41 | E35-E38 PolarHBondContact O-N 3.44Å; E38-G40 PolarHBondContact O-N 2.95Å; E38-G40 VanDerWaalsContact O-N 3.15Å; E38-S41 WeakPolarHBondContact O-CB 3.4Å; E38-S41 PolarHBondContact O-N 3.45Å |
| 39 | D | 49.3 | Very low | 58.3 | Low | 154 Ų | 154 | 126.9 Ų | 126.9 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -12.3 | 177.9 | -153 | 38.1 | 0 | 0 | 0 | 113 | S41 | D39-S41 PolarHBondContact O-N 3.17Š|
| 40 | G | 48.8 | Very low | 60.3 | Low | 67 Ų | 67 | 122 Ų | 122 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -12.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E38 K42 | E38-G40 PolarHBondContact O-N 2.95Å; E38-G40 VanDerWaalsContact O-N 3.15Å; G40-K42 PolarHBondContact O-N 3.06Å |
| 41 | S | 52.7 | Low | 61.7 | Low | 106 Ų | 106 | 118.8 Ų | 118.8 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 35 | -165.9 | -154.8 | 0 | 0 | 0 | 0 | 114.8 | E38 D39 | E38-S41 WeakPolarHBondContact O-CB 3.4Å; E38-S41 PolarHBondContact O-N 3.45Å; D39-S41 PolarHBondContact O-N 3.17Å |
| 42 | K | 52.9 | Low | 63.2 | Low | 206 Ų | 206 | 114.7 Ų | 114.7 | 90% | 0.896 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | 33.7 | 173.2 | -142.6 | 166.3 | -171.3 | 169.8 | 0 | 116.5 | G40 | G40-K42 PolarHBondContact O-N 3.06Š|
| 43 | G | 51.9 | Low | 64.2 | Low | 64 Ų | 64 | 113.6 Ų | 113.6 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | trans | -148 | 88.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G45 | G43-G45 PolarHBondContact O-N 3.35Š| ||
| 44 | G | 53.9 | Low | 65.3 | Low | 95 Ų | 95 | 110.6 Ų | 110.6 | 98% | 0.979 | 64% | 0.638 | S | S | * | * | trans | -69.9 | 37.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113 | D46 | G44-D46 PolarHBondContact O-N 2.63Š| ||
| 45 | G | 60 | Low | 67 | Low | 54 Ų | 54 | 106.3 Ų | 106.3 | 56% | 0.557 | 62% | 0.623 | S | S | * | * | trans | -78.3 | 100.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G43 I47 | G43-G45 PolarHBondContact O-N 3.35Å; G45-I47 PolarHBondContact O-N 3.05Å | ||
| 46 | D | 67.8 | Low | 68 | Low | 77 Ų | 77 | 105.6 Ų | 105.6 | 41% | 0.412 | 63% | 0.625 | S | S | . | * | trans | 13 | 101.7 | 161.7 | -179.1 | 5.5 | 0 | 0 | 0 | 114.3 | G44 L48 K49 S50 | G44-D46 PolarHBondContact O-N 2.63Å; D46-L48 PolarHBondContact O-N 2.98Å; D46-L48 WeakPolarHBondContact OD1-CB 3.34Å; D46-L48 PolarHBondContact OD1-N 2.87Å; D46-K49 HydrophobicContact CB-CB 4.25Å; D46-K49 WeakPolarHBondContact O-CA 3.47Å; D46-K49 WeakPolarHBondContact O-CB 3.41Å; D46-K49 PolarHBondContact O-N 3.11Å; D46-K49 IonicContact OD2-NZ 2.63Å; D46-S50 PolarHBondContact O-N 3.43Å | ||
| 47 | I | 71.1 | Confident | 68.7 | Low | 141 Ų | 141 | 104.5 Ų | 104.5 | 72% | 0.723 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -53.6 | -31.9 | -174.2 | -60.2 | 173.8 | 0 | 0 | 0 | 111.2 | G45 S50 L51 | G45-I47 PolarHBondContact O-N 3.05Å; I47-S50 PolarHBondContact O-N 3.42Å; I47-L51 WeakPolarHBondContact O-CB 3.15Å; I47-L51 PolarHBondContact O-N 3.46Å |
| 48 | L | 70.7 | Confident | 70 | Confident | 117 Ų | 117 | 101.2 Ų | 101.2 | 61% | 0.613 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.7 | -46.6 | 176.2 | -61.6 | 174 | 0 | 0 | 0 | 111.4 | D46 S50 L51 E52 | D46-L48 PolarHBondContact O-N 2.98Å; D46-L48 WeakPolarHBondContact OD1-CB 3.34Å; D46-L48 PolarHBondContact OD1-N 2.87Å; L48-S50 PolarHBondContact O-N 3.37Å; L48-L51 CarbonylContact O-C 3.59Å; L48-L51 WeakPolarHBondContact O-CB 3.34Å; L48-L51 PolarHBondContact O-N 3.39Å; L48-E52 WeakPolarHBondContact O-CB 3.44Å; L48-E52 VanDerWaalsContact O-CG 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.44Å; L48-E52 PolarHBondContact O-N 3.34Å |
| 49 | K | 79 | Confident | 71.2 | Confident | 135 Ų | 135 | 97.8 Ų | 97.8 | 59% | 0.587 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.5 | -35.8 | 174.6 | -95 | 170.1 | -176.7 | 127 | 0 | 113.5 | D46 L51 E52 N53 | D46-K49 HydrophobicContact CB-CB 4.25Å; D46-K49 WeakPolarHBondContact O-CA 3.47Å; D46-K49 WeakPolarHBondContact O-CB 3.41Å; D46-K49 PolarHBondContact O-N 3.11Å; D46-K49 IonicContact OD2-NZ 2.63Å; K49-L51 VanDerWaalsContact C-N 3.34Å; K49-E52 PolarHBondContact O-N 2.84Å; K49-N53 VanDerWaalsContact O-CB 3.29Å; K49-N53 WeakPolarHBondContact O-CB 3.3Å; K49-N53 PolarHBondContact O-N 3.48Å |
| 50 | S | 80.9 | Confident | 72.5 | Confident | 68 Ų | 68 | 94.1 Ų | 94.1 | 48% | 0.476 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.8 | -41.5 | 172.3 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | D46 I47 L48 T54 | D46-S50 PolarHBondContact O-N 3.43Å; I47-S50 PolarHBondContact O-N 3.42Å; L48-S50 PolarHBondContact O-N 3.37Å; S50-T54 WeakPolarHBondContact O-CB 3.42Å; S50-T54 PolarHBondContact O-N 2.87Å; S50-T54 PolarHBondContact O-OG1 3.19Å |
| 51 | L | 82.6 | Confident | 74.1 | Confident | 111 Ų | 111 | 98.5 Ų | 98.5 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66 | -45.7 | 174.2 | -146.9 | 84 | 0 | 0 | 0 | 112 | I47 L48 K49 N53 T54 V55 | I47-L51 WeakPolarHBondContact O-CB 3.15Å; I47-L51 PolarHBondContact O-N 3.46Å; L48-L51 CarbonylContact O-C 3.59Å; L48-L51 WeakPolarHBondContact O-CB 3.34Å; L48-L51 PolarHBondContact O-N 3.39Å; K49-L51 VanDerWaalsContact C-N 3.34Å; L51-N53 VanDerWaalsContact C-N 3.35Å; L51-N53 PolarHBondContact O-N 3.41Å; L51-T54 WeakPolarHBondContact O-CB 3.45Å; L51-T54 PolarHBondContact O-N 2.78Å; L51-V55 WeakPolarHBondContact O-CB 3.48Å; L51-V55 VanDerWaalsContact O-CG2 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.45Å; L51-V55 PolarHBondContact O-N 3.2Å |
| 52 | E | 84.2 | Confident | 74.9 | Confident | 116 Ų | 116 | 97.5 Ų | 97.5 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.9 | -43.9 | 176.3 | -76.1 | 170.3 | 178.4 | 0 | 0 | 111.5 | L48 K49 V55 T56 | L48-E52 WeakPolarHBondContact O-CB 3.44Å; L48-E52 VanDerWaalsContact O-CG 3.3Å; L48-E52 WeakPolarHBondContact O-CG 3.44Å; L48-E52 PolarHBondContact O-N 3.34Å; K49-E52 PolarHBondContact O-N 2.84Å; E52-V55 PolarHBondContact O-N 3.36Å; E52-T56 WeakPolarHBondContact O-CB 3.27Å; E52-T56 PolarHBondContact O-N 3.2Å; E52-T56 PolarHBondContact O-OG1 2.89Å |
| 53 | N | 82.9 | Confident | 75.9 | Confident | 107 Ų | 107 | 94.4 Ų | 94.4 | 57% | 0.572 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.2 | -38.6 | 177.6 | -166.1 | 9.7 | 0 | 0 | 0 | 111.4 | K49 L51 T56 T57 | K49-N53 VanDerWaalsContact O-CB 3.29Å; K49-N53 WeakPolarHBondContact O-CB 3.3Å; K49-N53 PolarHBondContact O-N 3.48Å; L51-N53 VanDerWaalsContact C-N 3.35Å; L51-N53 PolarHBondContact O-N 3.41Å; N53-T56 PolarHBondContact O-N 2.9Å; N53-T57 WeakPolarHBondContact O-CB 3.48Å; N53-T57 PolarHBondContact O-N 3.39Å; N53-T57 PolarHBondContact O-OG1 3.42Å |
| 54 | T | 90.4 | Very high | 76.6 | Confident | 88 Ų | 88 | 97.4 Ų | 97.4 | 54% | 0.54 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -46.5 | 173.7 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | S50 L51 T57 A58 | S50-T54 WeakPolarHBondContact O-CB 3.42Å; S50-T54 PolarHBondContact O-N 2.87Å; S50-T54 PolarHBondContact O-OG1 3.19Å; L51-T54 WeakPolarHBondContact O-CB 3.45Å; L51-T54 PolarHBondContact O-N 2.78Å; T54-T57 PolarHBondContact O-N 2.89Å; T54-A58 VanDerWaalsContact O-CB 3.31Å; T54-A58 WeakPolarHBondContact O-CB 3.26Å; T54-A58 PolarHBondContact O-N 3.21Å |
| 55 | V | 88.8 | Confident | 76.9 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 177.4 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | L51 E52 T57 A58 I59 | L51-V55 WeakPolarHBondContact O-CB 3.48Å; L51-V55 VanDerWaalsContact O-CG2 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.45Å; L51-V55 PolarHBondContact O-N 3.2Å; E52-V55 PolarHBondContact O-N 3.36Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.37Å; V55-A58 PolarHBondContact O-N 3.5Å; V55-I59 HydrophobicContact CG1-CD1 3.66Å; V55-I59 HydrophobicContact CG1-CG1 4.39Å; V55-I59 WeakPolarHBondContact O-CB 3.33Å; V55-I59 VanDerWaalsContact O-CG1 3.25Å; V55-I59 WeakPolarHBondContact O-CG1 3.46Å; V55-I59 PolarHBondContact O-N 3.01Å |
| 56 | T | 83.8 | Confident | 76.7 | Confident | 73 Ų | 73 | 96.5 Ų | 96.5 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | E52 N53 N60 | E52-T56 WeakPolarHBondContact O-CB 3.27Å; E52-T56 PolarHBondContact O-N 3.2Å; E52-T56 PolarHBondContact O-OG1 2.89Å; N53-T56 PolarHBondContact O-N 2.9Å; T56-N60 WeakPolarHBondContact O-CB 3.39Å; T56-N60 PolarHBondContact O-N 3.42Å; T56-N60 PolarHBondContact O-ND2 3.02Å |
| 57 | T | 79.8 | Confident | 75.8 | Confident | 65 Ų | 65 | 98 Ų | 98 | 40% | 0.399 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.7 | -40.5 | 174.5 | -62 | 0 | 0 | 0 | 0 | 111.5 | N53 T54 V55 N60 K61 | N53-T57 WeakPolarHBondContact O-CB 3.48Å; N53-T57 PolarHBondContact O-N 3.39Å; N53-T57 PolarHBondContact O-OG1 3.42Å; T54-T57 PolarHBondContact O-N 2.89Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.37Å; T57-N60 PolarHBondContact O-N 2.8Å; T57-K61 WeakPolarHBondContact O-CB 3.39Å; T57-K61 WeakPolarHBondContact O-CG 3.3Å; T57-K61 PolarHBondContact O-N 3.25Å |
| 58 | A | 83.9 | Confident | 74.8 | Confident | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T54 V55 K61 A62 | T54-A58 VanDerWaalsContact O-CB 3.31Å; T54-A58 WeakPolarHBondContact O-CB 3.26Å; T54-A58 PolarHBondContact O-N 3.21Å; V55-A58 PolarHBondContact O-N 3.5Å; A58-K61 PolarHBondContact O-N 2.94Å; A58-A62 WeakPolarHBondContact O-CB 3.47Å; A58-A62 PolarHBondContact O-N 3.33Å |
| 59 | I | 80.1 | Confident | 74 | Confident | 77 Ų | 77 | 100.7 Ų | 100.7 | 40% | 0.395 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64 | -47.6 | 174.9 | -71.1 | 168.1 | 0 | 0 | 0 | 110.4 | V55 K61 A62 Q63 | V55-I59 HydrophobicContact CG1-CD1 3.66Å; V55-I59 HydrophobicContact CG1-CG1 4.39Å; V55-I59 WeakPolarHBondContact O-CB 3.33Å; V55-I59 VanDerWaalsContact O-CG1 3.25Å; V55-I59 WeakPolarHBondContact O-CG1 3.46Å; V55-I59 PolarHBondContact O-N 3.01Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.48Å; I59-A62 CarbonylContact O-C 3.47Å; I59-A62 PolarHBondContact O-N 2.94Å; I59-Q63 HydrophobicContact CG2-CG 4.27Å; I59-Q63 WeakPolarHBondContact O-CB 3.43Å; I59-Q63 WeakPolarHBondContact O-CG 3.47Å; I59-Q63 PolarHBondContact O-N 2.7Å |
| 60 | N | 77 | Confident | 72.5 | Confident | 77 Ų | 77 | 99.4 Ų | 99.4 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62 | -38.7 | 176 | -86.2 | -82.4 | 0 | 0 | 0 | 112.4 | T56 T57 A62 Q63 N64 | T56-N60 WeakPolarHBondContact O-CB 3.39Å; T56-N60 PolarHBondContact O-N 3.42Å; T56-N60 PolarHBondContact O-ND2 3.02Å; T57-N60 PolarHBondContact O-N 2.8Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 2.81Å; N60-Q63 PolarHBondContact O-N 3.46Å; N60-N64 WeakPolarHBondContact O-CB 3.38Å; N60-N64 PolarHBondContact O-N 2.74Å; N60-N64 PolarHBondContact OD1-ND2 3.47Å |
| 61 | K | 81 | Confident | 70.8 | Confident | 158 Ų | 158 | 100.3 Ų | 100.3 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.2 | -31.2 | 172.3 | -78.5 | -175.7 | 175.3 | -178.4 | 0 | 113 | T57 A58 I59 G65 | T57-K61 WeakPolarHBondContact O-CB 3.39Å; T57-K61 WeakPolarHBondContact O-CG 3.3Å; T57-K61 PolarHBondContact O-N 3.25Å; A58-K61 PolarHBondContact O-N 2.94Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.48Å; K61-G65 VanDerWaalsContact O-CA 3.23Å; K61-G65 WeakPolarHBondContact O-CA 3.15Å; K61-G65 PolarHBondContact O-N 2.9Å |
| 62 | A | 70.6 | Confident | 68.8 | Low | 86 Ų | 86 | 103.4 Ų | 103.4 | 71% | 0.711 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80.7 | -25.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A58 I59 N60 | A58-A62 WeakPolarHBondContact O-CB 3.47Å; A58-A62 PolarHBondContact O-N 3.33Å; I59-A62 CarbonylContact O-C 3.47Å; I59-A62 PolarHBondContact O-N 2.94Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 2.81Å |
| 63 | Q | 72.8 | Confident | 67.3 | Low | 141 Ų | 141 | 103.1 Ų | 103.1 | 66% | 0.659 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -95.4 | -42 | -178.4 | -71 | 176.4 | -22.2 | 0 | 0 | 113.1 | I59 N60 | I59-Q63 HydrophobicContact CG2-CG 4.27Å; I59-Q63 WeakPolarHBondContact O-CB 3.43Å; I59-Q63 WeakPolarHBondContact O-CG 3.47Å; I59-Q63 PolarHBondContact O-N 2.7Å; N60-Q63 PolarHBondContact O-N 3.46Å |
| 64 | N | 67.6 | Low | 66 | Low | 126 Ų | 126 | 103 Ų | 103 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -11.7 | -174.1 | -59.4 | -40.1 | 0 | 0 | 0 | 113.1 | N60 A66 | N60-N64 WeakPolarHBondContact O-CB 3.38Å; N60-N64 PolarHBondContact O-N 2.74Å; N60-N64 PolarHBondContact OD1-ND2 3.47Å; N64-A66 PolarHBondContact O-N 3.15Å |
| 65 | G | 60.7 | Low | 64.2 | Low | 42 Ų | 42 | 104.3 Ų | 104.3 | 43% | 0.433 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -77.8 | 104.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K61 | K61-G65 VanDerWaalsContact O-CA 3.23Å; K61-G65 WeakPolarHBondContact O-CA 3.15Å; K61-G65 PolarHBondContact O-N 2.9Å |
| 66 | A | 54.4 | Low | 62.4 | Low | 89 Ų | 89 | 109.4 Ų | 109.4 | 74% | 0.736 | 63% | 0.633 | S | S | * | * | trans | -56.6 | 132.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N64 S68 | N64-A66 PolarHBondContact O-N 3.15Å; A66-S68 PolarHBondContact O-N 3.18Å | ||
| 67 | P | 50.5 | Low | 60.9 | Low | 108 Ų | 108 | 110.6 Ų | 110.6 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | trans | -73.5 | 91.9 | -176 | 29.7 | -35 | 0 | 0 | 0 | 110.4 | W69 | P67-W69 PolarHBondContact O-N 3.28Š| ||
| 68 | S | 50.1 | Low | 59.4 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | trans | -71.7 | 87 | -179.8 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | A66 S70 | A66-S68 PolarHBondContact O-N 3.18Å; S68-S70 VanDerWaalsContact C-N 3.27Å; S68-S70 PolarHBondContact OG-OG 3.26Å | ||
| 69 | W | 53.1 | Low | 57.8 | Low | 214 Ų | 214 | 117 Ų | 117 | 81% | 0.811 | 67% | 0.67 | S | S | * | * | trans | -88.1 | 8.2 | 166.6 | -70.4 | 84.8 | 0 | 0 | 0 | 112.3 | P67 A71 | P67-W69 PolarHBondContact O-N 3.28Å; W69-A71 PolarHBondContact O-N 3.46Å | ||
| 70 | S | 47 | Very low | 56.5 | Low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 36.7 | -174.1 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | S68 | S68-S70 VanDerWaalsContact C-N 3.27Å; S68-S70 PolarHBondContact OG-OG 3.26Å |
| 71 | A | 45 | Very low | 54.9 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -0.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W69 | W69-A71 PolarHBondContact O-N 3.46Š|
| 72 | Y | 41.3 | Very low | 53 | Low | 176 Ų | 176 | 123.5 Ų | 123.5 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | trans | -115.2 | 101.8 | 176.1 | -90.3 | -83.4 | 0 | 0 | 0 | 111.8 | I75 | Y72-I75 HydrophobicContact CG-CD1 4.31Š| ||
| 73 | P | 51.8 | Low | 51.5 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 148.8 | 158.5 | 28.8 | -32.6 | 0 | 0 | 0 | 110.2 | ||
| 74 | S | 56.5 | Low | 49.8 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90 | -0.6 | 168.9 | 79.7 | 0 | 0 | 0 | 0 | 121.9 | H76 | S74-H76 PolarHBondContact O-N 3.42Š|
| 75 | I | 51.6 | Low | 48.3 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 59% | 0.59 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 30.3 | 172.8 | -32.2 | -176.6 | 0 | 0 | 0 | 113.5 | Y72 | Y72-I75 HydrophobicContact CG-CD1 4.31Š|
| 76 | H | 51 | Low | 47.2 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -8.5 | 171.1 | -78.3 | -71.5 | 0 | 0 | 0 | 113.5 | S74 A78 | S74-H76 PolarHBondContact O-N 3.42Å; H76-A78 VanDerWaalsContact C-N 3.33Å; H76-A78 PolarHBondContact O-N 3.01Å |
| 77 | A | 53.7 | Low | 46.9 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -8.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 78 | A | 47.6 | Very low | 46.2 | Very low | 67 Ų | 67 | 135 Ų | 135 | 55% | 0.554 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -4.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | H76 | H76-A78 VanDerWaalsContact C-N 3.33Å; H76-A78 PolarHBondContact O-N 3.01Å |
| 79 | Y | 50.9 | Low | 45.4 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -122.7 | 42.5 | -174.7 | -75.1 | -72.3 | 0 | 0 | 0 | 113.7 | L81 | Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 HydrophobicContact CD1-CD1 4.13Å; Y79-L81 HydrophobicContact CD1-CG 4.48Å; Y79-L81 PolarHBondContact O-N 3.46Å | ||
| 80 | Q | 53.2 | Low | 44.7 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -94.5 | 71.3 | 153.9 | -75.5 | -177 | -11 | 0 | 0 | 108.8 | ||||
| 81 | L | 42.1 | Very low | 44.2 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 67% | 0.665 | 79% | 0.785 | S | S | * | * | trans | -76.4 | 124 | 169.2 | -66.9 | 174.1 | 0 | 0 | 0 | 108.7 | Y79 E83 | Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 HydrophobicContact CD1-CD1 4.13Å; Y79-L81 HydrophobicContact CD1-CG 4.48Å; Y79-L81 PolarHBondContact O-N 3.46Å; L81-E83 PolarHBondContact O-N 3.44Å | ||
| 82 | S | 41.9 | Very low | 43.5 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -80.7 | 96 | 177.9 | -63 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 83 | E | 38.1 | Very low | 43.1 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -120.5 | 141.3 | 166.7 | -63.1 | -172.8 | 176.5 | 0 | 0 | 109.7 | L81 | L81-E83 PolarHBondContact O-N 3.44Š| ||
| 84 | G | 37.3 | Very low | 42.3 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 131.7 | 81.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 85 | T | 36.6 | Very low | 41.3 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -66.1 | 133.3 | 178.6 | -39.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 86 | K | 38.6 | Very low | 40.6 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | 145.7 | 155.8 | 141.2 | -80.7 | 169.4 | -176.1 | 179.4 | 0 | 113.1 | ||||
| 87 | P | 46.6 | Very low | 39.9 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 150.2 | -164.7 | 37.2 | -34.8 | 0 | 0 | 0 | 115 | ||
| 88 | P | 36 | Very low | 39.1 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 149.1 | 161.4 | 35.2 | -31.1 | 0 | 0 | 0 | 112 | ||
| 89 | M | 33 | Very low | 38.6 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 93% | 0.931 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 162.8 | 173.7 | -65.4 | 170.7 | 67.4 | 0 | 0 | 111.6 | ||
| 90 | A | 39.8 | Very low | 37.9 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71 | 142.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 91 | M | 35 | Very low | 37.3 | Very low | 188 Ų | 188 | 145 Ų | 145 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -162.4 | 147.4 | 164 | -116.2 | -59 | -148.4 | 0 | 0 | 112.2 | ||||
| 92 | G | 30.3 | Very low | 37.1 | Very low | 69 Ų | 69 | 147.3 Ų | 147.3 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | 69.6 | 96.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 93 | S | 34.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -56.3 | 151.5 | 157.4 | -43.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 94 | Q | 35 | Very low | 36.6 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | -174.1 | 163 | 119.6 | -97.3 | -59.7 | 2.7 | 0 | 0 | 111.7 | |||||
| 95 | I | 34.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 72% | 0.718 | 82% | 0.818 | S | S | * | * | trans | -106.3 | 140.6 | -174.8 | -64.7 | 162.3 | 0 | 0 | 0 | 111 | ||||
| 96 | L | 37.2 | Very low | 36.9 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -157 | 143.8 | 144.7 | -110.5 | 165.6 | 0 | 0 | 0 | 110.5 | ||||
| 97 | Q | 36.9 | Very low | 37.2 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | trans | -112.3 | 142.1 | -174.5 | -65.5 | -170.7 | 0.8 | 0 | 0 | 112.3 | ||||
| 98 | I | 37.2 | Very low | 37 | Very low | 176 Ų | 176 | 152.9 Ų | 152.9 | 90% | 0.903 | 82% | 0.824 | S | S | * | * | trans | -128.7 | 140.2 | 159 | -59 | -178.6 | 0 | 0 | 0 | 108.1 | ||||
| 99 | R | 36.4 | Very low | 37.1 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -123.8 | 122.5 | -159.7 | 176.5 | -164.8 | -160.8 | 161.8 | 6.1 | 112 | ||||
| 100 | P | 37.2 | Very low | 37.4 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -86.1 | 133.7 | 151.9 | -8.5 | 27.3 | 0 | 0 | 0 | 109.6 | ||||
| 101 | N | 39.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 66% | 0.663 | 82% | 0.815 | S | S | * | * | trans | -118.8 | 116.7 | 172.9 | 179.4 | 11.6 | 0 | 0 | 0 | 109.1 | ||||
| 102 | L | 38.6 | Very low | 37.4 | Very low | 175 Ų | 175 | 152 Ų | 152 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -149.8 | 137 | 161.7 | -108.1 | 165.6 | 0 | 0 | 0 | 108.3 | ||||
| 103 | A | 38.7 | Very low | 37.4 | Very low | 87 Ų | 87 | 159 Ų | 159 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | trans | -105.1 | 131.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 104 | N | 30.7 | Very low | 37.4 | Very low | 150 Ų | 150 | 162.1 Ų | 162.1 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -145.3 | 139 | 147.2 | -154.5 | -23.9 | 0 | 0 | 0 | 109.4 | ||||
| 105 | K | 37.7 | Very low | 37.2 | Very low | 197 Ų | 197 | 157.3 Ų | 157.3 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -123 | 77.7 | -166.7 | -83.3 | -84.1 | -170.4 | 168.6 | 0 | 110.9 | ||||
| 106 | L | 42.3 | Very low | 37.2 | Very low | 166 Ų | 166 | 159 Ų | 159 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -127.6 | 126.7 | 162.5 | -67.5 | 175.4 | 0 | 0 | 0 | 109.3 | ||||
| 107 | R | 45.4 | Very low | 37.4 | Very low | 229 Ų | 229 | 156.2 Ų | 156.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -137.4 | 134.6 | 168.4 | -174.3 | -169.7 | -73.5 | -176.2 | -3.3 | 107.9 | ||||
| 108 | P | 42.7 | Very low | 37.3 | Very low | 124 Ų | 124 | 155.9 Ų | 155.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -62.6 | 153 | 176.8 | -22.5 | 33.8 | 0 | 0 | 0 | 113.2 | ||||
| 109 | I | 37.7 | Very low | 36.9 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -121.3 | 131.3 | 167.8 | -61.6 | 177.7 | 0 | 0 | 0 | 107.4 | ||||
| 110 | A | 39.4 | Very low | 37.2 | Very low | 85 Ų | 85 | 147.8 Ų | 147.8 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | trans | -103 | 143.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 111 | P | 42.2 | Very low | 37.3 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -71 | 142.8 | 171.1 | -14.2 | 29.6 | 0 | 0 | 0 | 111.7 | ||||
| 112 | K | 33 | Very low | 37 | Very low | 203 Ų | 203 | 147.7 Ų | 147.7 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -116.6 | 151.8 | 166.2 | -79.5 | -173 | 176.8 | -179.8 | 0 | 110.3 | ||||
| 113 | W | 29 | Very low | 36.6 | Very low | 215 Ų | 215 | 145.7 Ų | 145.7 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -90.6 | 155.5 | 179.2 | 64.9 | -84.4 | 0 | 0 | 0 | 112.5 | ||||
| 114 | K | 35.1 | Very low | 36.2 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 148.9 | 139.1 | 164.9 | -86.2 | 158.4 | -174.7 | -166.3 | 0 | 107.7 | ||||
| 115 | G | 31.1 | Very low | 36.2 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | cis | -161.8 | -178.9 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 116 | M | 33 | Very low | 35.8 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -85.7 | 170 | -172.4 | -146 | 97.1 | 77.1 | 0 | 0 | 113.5 | ||||
| 117 | P | 42.2 | Very low | 35.2 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | -149.2 | 140.7 | 80.5 | 36 | -15.6 | 0 | 0 | 0 | 119.2 | |||||
| 118 | L | 35.1 | Very low | 34.3 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 58 | 91.6 | 135.8 | -56.3 | 176.8 | 0 | 0 | 0 | 124.2 | ||||
| 119 | G | 28.6 | Very low | 33.7 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | 61.4 | -179.8 | 130.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 120 | P | 41.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -115.7 | -176.7 | -12.8 | 41.7 | -29.5 | 0 | 0 | 0 | 113.6 | ||||
| 121 | V | 39.2 | Very low | 33.2 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -93.7 | 144.9 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 122 | P | 34.8 | Very low | 32.7 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -119.5 | 146.2 | 147.9 | 36.3 | -27.8 | 0 | 0 | 0 | 113.3 | ||||
| 123 | T | 30.1 | Very low | 32.6 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -96.7 | 135.7 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 124 | S | 30 | Very low | 32.5 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -180 | 168.4 | 144.5 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 125 | L | 30.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | -1.9 | 138.3 | 171.8 | -74.9 | 72.1 | 0 | 0 | 0 | 119.5 | ||||
| 126 | A | 28.3 | Very low | 32 | Very low | 84 Ų | 84 | 139.8 Ų | 139.8 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | cis | 79.2 | 145.4 | 43.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 127 | L | 29.8 | Very low | 31.8 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | 70.1 | 162.6 | 176.2 | -59.1 | 164.8 | 0 | 0 | 0 | 116.7 | ||||
| 128 | Y | 26.3 | Very low | 31.5 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | cis | -169.7 | 114.2 | -39.2 | -169.8 | -112 | 0 | 0 | 0 | 111.4 | ||||
| 129 | T | 31.1 | Very low | 31.3 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | trans | 59.8 | -174.4 | 161.5 | 65 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 130 | Q | 30.2 | Very low | 31.4 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 72.5 | 103.5 | 169.7 | -45.4 | -167.9 | 85 | 0 | 0 | 115.2 | ||||
| 131 | V | 35.2 | Very low | 31 | Very low | 144 Ų | 144 | 143 Ų | 143 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | 65.6 | 103.5 | 61.4 | -174.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 132 | K | 32 | Very low | 30.7 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -139.5 | 156.9 | 143.3 | -164.2 | 163.1 | -168.7 | -90.6 | 0 | 109.6 | E134 | K132-E134 IonicContact NZ-OE1 3.89Å; K132-E134 PolarHBondContact NZ-OE1 2.92Å; K132-E134 IonicContact NZ-OE2 2.73Å; K132-E134 PolarHBondContact NZ-OE2 3.07Å | ||
| 133 | K | 31 | Very low | 30.5 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -141.9 | 125.1 | -166.7 | 170.7 | -162.9 | 175.3 | -169.5 | 0 | 109.1 | ||||
| 134 | E | 27.5 | Very low | 30.4 | Very low | 143 Ų | 143 | 150 Ų | 150 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | -173.8 | 146.9 | 168.3 | -88.2 | 126.5 | -167.8 | 0 | 0 | 104.8 | K132 | K132-E134 IonicContact NZ-OE1 3.89Å; K132-E134 PolarHBondContact NZ-OE1 2.92Å; K132-E134 IonicContact NZ-OE2 2.73Å; K132-E134 PolarHBondContact NZ-OE2 3.07Å | ||
| 135 | T | 28.3 | Very low | 30.4 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | cis | -146.7 | 134 | -5 | 10.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 136 | E | 26.8 | Very low | 30.1 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | 63.8 | 100.3 | 95.3 | -166.8 | 176.7 | 170.8 | 0 | 0 | 115 | |||||
| 137 | D | 29.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | -151.6 | -178.7 | 129.1 | -157.3 | -0.1 | 0 | 0 | 0 | 109 | |||||
| 138 | K | 35 | Very low | 30.3 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | -135.8 | 146.5 | -136.7 | -179.8 | 177.2 | 176.9 | -65.6 | 0 | 115.5 | ||||
| 139 | D | 30.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | 61.6 | 161.5 | 164.8 | -77.8 | -39.7 | 0 | 0 | 0 | 118.3 | ||||
| 140 | E | 31.7 | Very low | 31 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | cis | -142.9 | 155.5 | 7.3 | -143.1 | -165.2 | 133.3 | 0 | 0 | 113.2 | ||||
| 141 | V | 32.1 | Very low | 30.9 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | trans | 35.6 | 112.1 | 147.1 | 164.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 142 | V | 32.8 | Very low | 30.6 | Very low | 142 Ų | 142 | 151.1 Ų | 151.1 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | -165.7 | 139 | 101.4 | 153.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 143 | K | 30.5 | Very low | 30.4 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -153.5 | 118.7 | -173.8 | -169.4 | -175.1 | -172.7 | -175.2 | 0 | 112.5 | ||||
| 144 | Q | 29.5 | Very low | 30.3 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -168.1 | 154.2 | 154.8 | -110 | -168.5 | 14.8 | 0 | 0 | 110.1 | ||||
| 145 | C | 28.6 | Very low | 30.2 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | cis | -144.7 | 153.7 | -5.3 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 146 | G | 25.4 | Very low | 30.1 | Very low | 67 Ų | 67 | 145.9 Ų | 145.9 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -160.5 | 91 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 147 | K | 35.9 | Very low | 30.1 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | 58.3 | 132.5 | 162.3 | -61.4 | -173.4 | 174.1 | -173.9 | 0 | 120.5 | ||||
| 148 | E | 25.8 | Very low | 30 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | 120 | 109.2 | 126.8 | -156.8 | 158.4 | 145.8 | 0 | 0 | 119.8 | |||||
| 149 | S | 30.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 73.6 | 172.9 | 148.4 | 79.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 150 | P | 42.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -137.7 | 172.8 | -78.2 | 41 | -24.2 | 0 | 0 | 0 | 115 | |||||
| 151 | H | 27.7 | Very low | 30.6 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -155.6 | 159.8 | 152.4 | -149.9 | -87.6 | 0 | 0 | 0 | 112.5 | ||||
| 152 | E | 29.1 | Very low | 30.4 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -92.1 | 152.7 | 177.9 | -51.4 | -175.3 | 145.1 | 0 | 0 | 112.6 | ||||
| 153 | E | 28 | Very low | 30.4 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | -165.7 | 139.1 | 110.7 | -106.7 | -169.1 | 129.3 | 0 | 0 | 114.4 | |||||
| 154 | A | 28.6 | Very low | 30.5 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | 21.1 | 119.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 155 | T | 26.6 | Very low | 30.6 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 160.4 | 136.2 | 93.1 | -56.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 156 | S | 26.1 | Very low | 30.6 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 116 | 115.3 | 144.4 | -146.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 157 | F | 26.4 | Very low | 30.9 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | 72 | 121 | 145.1 | -97.9 | -112.3 | 0 | 0 | 0 | 124.1 | ||||
| 158 | S | 27.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 88.7 | 111.6 | 143.9 | -62.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 159 | Q | 31.5 | Very low | 31 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -72.7 | -178.4 | 153.2 | -108.9 | -176.3 | -51.9 | 0 | 0 | 112.5 | ||||
| 160 | P | 44.8 | Very low | 32.1 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -135.1 | -172.7 | -9.8 | 29.9 | -6.3 | 0 | 0 | 0 | 116.1 | ||||
| 161 | E | 32.7 | Very low | 32.1 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -52.2 | 173.5 | 179.4 | -50.5 | 174 | 113.3 | 0 | 0 | 120.1 | ||||
| 162 | G | 29.3 | Very low | 32.3 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | 178.7 | 101.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 163 | E | 31.5 | Very low | 32.2 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | 50.6 | 153.7 | 137.7 | -65.7 | -171.5 | 148.6 | 0 | 0 | 122.9 | ||||
| 164 | S | 32.8 | Very low | 32.5 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 54% | 0.538 | 74% | 0.741 | S | S | . | * | cis | -174.1 | 164.6 | -17.2 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 165 | F | 31.4 | Very low | 32.7 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | 61 | 162.1 | 157.6 | -62 | -51.4 | 0 | 0 | 0 | 119.3 | ||||
| 166 | S | 28.8 | Very low | 32.8 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | cis | -172.1 | 170.4 | -12 | -101.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 167 | K | 32.4 | Very low | 33.2 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | cis | -177.2 | 164.6 | -22.9 | -171.2 | -160 | 172 | -167.6 | 0 | 107.4 | ||||
| 168 | I | 31.4 | Very low | 33.3 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | 80.9 | 125 | 168.6 | -46 | 179.4 | 0 | 0 | 0 | 113.1 | ||||
| 169 | E | 32.8 | Very low | 33.8 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | cis | 100.1 | 161.6 | 28.4 | -140.6 | -154.4 | 126.6 | 0 | 0 | 113.2 | ||||
| 170 | P | 51.4 | Low | 33.6 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | -114.5 | -152.7 | -88.9 | 44.3 | -31 | 0 | 0 | 0 | 112.1 | |||||
| 171 | P | 43.4 | Very low | 33.3 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | cis | -125 | -151.4 | -9.6 | 36.7 | -12.7 | 0 | 0 | 0 | 111.7 | ||||
| 172 | S | 31.5 | Very low | 33.1 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | cis | -159.8 | -175.9 | 6.1 | -149.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 173 | E | 28.5 | Very low | 33.1 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | -6.9 | 151.8 | 153.2 | -75.3 | -178.2 | 126.7 | 0 | 0 | 121.9 | ||||
| 174 | S | 33.3 | Very low | 32.9 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | cis | -159.7 | 147.7 | 9.9 | 38.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 175 | R | 31.7 | Very low | 32.6 | Very low | 215 Ų | 215 | 143.8 Ų | 143.8 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | 55.8 | 118 | 142.6 | -61 | 171.2 | -161.7 | -156.4 | 6.2 | 121.9 | ||||
| 176 | K | 30 | Very low | 32.3 | Very low | 210 Ų | 210 | 141.2 Ų | 141.2 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | trans | 22.8 | 152.4 | 134.1 | -65.6 | -173 | 175.9 | -170.8 | 0 | 120.5 | ||||
| 177 | A | 33.5 | Very low | 32.3 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | 162.3 | 169.2 | -13.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 178 | E | 29.1 | Very low | 32.3 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | -46.3 | 165.2 | 175.8 | -89 | -170.4 | 100.8 | 0 | 0 | 117.6 | ||||
| 179 | P | 38 | Very low | 32.1 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | cis | -149.9 | -170.4 | 36.9 | 42.4 | -20.1 | 0 | 0 | 0 | 119.1 | ||||
| 180 | C | 27.5 | Very low | 31.8 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | trans | -74.9 | -179.4 | 160 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 181 | P | 38.5 | Very low | 30.6 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -148.8 | 174 | 14 | 45.3 | -25.2 | 0 | 0 | 0 | 120.6 | ||||
| 182 | L | 29 | Very low | 30 | Very low | 165 Ų | 165 | 152 Ų | 152 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | 66.5 | 156.6 | 142 | -80.2 | 166.8 | 0 | 0 | 0 | 125.3 | ||||
| 183 | K | 27.6 | Very low | 30.4 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | trans | 77.8 | 148.3 | 174.1 | -81.9 | 167.7 | 155.2 | -94.3 | 0 | 116.7 | ||||
| 184 | E | 27.3 | Very low | 30.4 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | cis | -156.9 | -178.9 | 1 | -142.8 | 147.3 | 171 | 0 | 0 | 113.5 | ||||
| 185 | E | 26.8 | Very low | 30.4 | Very low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 61.1 | -174.5 | 160.6 | -68.8 | -171.6 | 116.4 | 0 | 0 | 120.5 | ||||
| 186 | E | 26.7 | Very low | 30.2 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | -148.1 | 157.3 | -84.8 | -147 | -147.9 | 100.7 | 0 | 0 | 111.4 | |||||
| 187 | K | 28 | Very low | 30.5 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | 26.5 | 132.9 | 170.4 | -78.9 | -176.1 | -167 | 90.2 | 0 | 122.1 | ||||
| 188 | P | 32.1 | Very low | 30.5 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -84.3 | 148 | 170.2 | 35.2 | -34.8 | 0 | 0 | 0 | 114.8 | ||||
| 189 | Q | 27.4 | Very low | 30.4 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -146 | 156.3 | 163.6 | -77.2 | -163.6 | 22.7 | 0 | 0 | 108.9 | ||||
| 190 | K | 27.4 | Very low | 29.8 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | cis | -174.5 | 102.7 | -20.8 | 170.7 | -160.7 | 172.4 | -171.7 | 0 | 107.8 | ||||
| 191 | E | 26.1 | Very low | 29.8 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 94% | 0.944 | 76% | 0.757 | S | S | * | * | trans | -135.3 | 131.9 | 164.2 | -73.2 | -160.4 | 135.9 | 0 | 0 | 113.1 | ||||
| 192 | K | 29.7 | Very low | 29.4 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | -172.8 | 151.4 | -179.7 | -130.3 | -153.4 | 176.7 | -169 | 0 | 103.1 | E194 | K192-E194 HydrophobicContact CD-CG 4.27Å; K192-E194 WeakPolarHBondContact CE-OE1 3.31Å; K192-E194 WeakPolarHBondContact CE-OE2 3.42Å; K192-E194 IonicContact NZ-OE1 2.64Å; K192-E194 PolarHBondContact NZ-OE1 3.29Å; K192-E194 IonicContact NZ-OE2 2.6Å; K192-E194 PolarHBondContact NZ-OE2 3.09Å | ||
| 193 | P | 40 | Very low | 29.2 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | cis | -129.1 | -177.1 | 32.4 | 26.6 | -3.1 | 0 | 0 | 0 | 113.8 | ||||
| 194 | E | 28.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 144 Ų | 144 | 50% | 0.5 | 76% | 0.759 | S | S | . | * | cis | -163.1 | 133.3 | -30.2 | -88 | -95.9 | 56.1 | 0 | 0 | 105.8 | K192 | K192-E194 HydrophobicContact CD-CG 4.27Å; K192-E194 WeakPolarHBondContact CE-OE1 3.31Å; K192-E194 WeakPolarHBondContact CE-OE2 3.42Å; K192-E194 IonicContact NZ-OE1 2.64Å; K192-E194 PolarHBondContact NZ-OE1 3.29Å; K192-E194 IonicContact NZ-OE2 2.6Å; K192-E194 PolarHBondContact NZ-OE2 3.09Å | ||
| 195 | P | 32.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -75.6 | 138.9 | 157.2 | 32.6 | -30.6 | 0 | 0 | 0 | 109.1 | ||||
| 196 | L | 28.8 | Very low | 29.6 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -118.1 | 118.6 | 177.2 | -72.9 | 177.1 | 0 | 0 | 0 | 111.9 | ||||
| 197 | E | 36.1 | Very low | 30 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -60.6 | 171.4 | 154.3 | -65.7 | -79.1 | 114.2 | 0 | 0 | 110.3 | ||||
| 198 | P | 33.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -135 | 137.4 | 112.8 | 36.2 | -27.8 | 0 | 0 | 0 | 115.1 | |||||
| 199 | V | 26.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -67.6 | 148.9 | 168.3 | -144 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 200 | S | 26.2 | Very low | 30.7 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 161.3 | 139.4 | 110.6 | 57.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 201 | S | 26.5 | Very low | 31 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 75.8 | 126.5 | 134.8 | -69.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 202 | L | 29.4 | Very low | 31.2 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 97.3 | 126.7 | 139.2 | -69.6 | 159.5 | 0 | 0 | 0 | 122.7 | ||||
| 203 | T | 24.5 | Very low | 31.7 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | trans | 70.5 | 118.1 | 145.3 | 43.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 204 | N | 31.1 | Very low | 31.4 | Very low | 163 Ų | 163 | 124.8 Ų | 124.8 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | 43.9 | 120.4 | 132.8 | -57.2 | -2.1 | 0 | 0 | 0 | 121.4 | ||||
| 205 | G | 29.1 | Very low | 32.3 | Very low | 82 Ų | 82 | 127.2 Ų | 127.2 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -177.6 | 140.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 206 | C | 31 | Very low | 33 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | trans | -88.9 | 162.4 | -172.3 | -87.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 207 | A | 34.3 | Very low | 33.9 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | 85 | 138.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 208 | P | 40 | Very low | 35.1 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -98.4 | 150.5 | -179.9 | 37.9 | -34.2 | 0 | 0 | 0 | 114 | ||||
| 209 | A | 30.8 | Very low | 37.1 | Very low | 83 Ų | 83 | 121.5 Ų | 121.5 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | -113.6 | 112.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H211 | A209-H211 PolarHBondContact O-CE1 2.86Å; A209-H211 PolarHBondContact O-ND1 3.14Å | ||
| 210 | N | 31.5 | Very low | 39.3 | Very low | 156 Ų | 156 | 120 Ų | 120 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -63.4 | 137.2 | -179.9 | -59.8 | -76.8 | 0 | 0 | 0 | 111.9 | ||||
| 211 | H | 34.1 | Very low | 41.7 | Very low | 182 Ų | 182 | 120.7 Ų | 120.7 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | trans | -122.6 | 95.2 | 170.6 | 23 | -77.2 | 0 | 0 | 0 | 110.3 | A209 | A209-H211 PolarHBondContact O-CE1 2.86Å; A209-H211 PolarHBondContact O-ND1 3.14Å | ||
| 212 | T | 29.7 | Very low | 44.1 | Very low | 119 Ų | 119 | 119 Ų | 119 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | trans | -86.2 | 133.6 | 169.7 | -50.3 | 0 | 0 | 0 | 0 | 108.9 | A214 | T212-A214 PolarHBondContact O-N 2.88Š| ||
| 213 | P | 40.2 | Very low | 46.4 | Very low | 121 Ų | 121 | 113.7 Ų | 113.7 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | -68.6 | 105 | 174 | 27.9 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 214 | A | 34.2 | Very low | 48.8 | Very low | 95 Ų | 95 | 113.4 Ų | 113.4 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | -72.9 | 130.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T212 | T212-A214 PolarHBondContact O-N 2.88Š| ||
| 215 | L | 47.8 | Very low | 50.9 | Low | 158 Ų | 158 | 111.9 Ų | 111.9 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | trans | -61.3 | 145.2 | 165.9 | -69.7 | 167 | 0 | 0 | 0 | 109.7 | S217 | L215-S217 PolarHBondContact O-N 3.16Š| ||
| 216 | P | 48 | Very low | 53.2 | Low | 111 Ų | 111 | 111.2 Ų | 111.2 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | trans | -64 | 110.7 | 177.1 | 26.2 | -33.5 | 0 | 0 | 0 | 110.3 | I218 | P216-I218 VanDerWaalsContact C-N 3.32Å; P216-I218 PolarHBondContact O-N 3.44Å | ||
| 217 | S | 47.8 | Very low | 55.4 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 84% | 0.839 | 66% | 0.66 | S | S | * | * | trans | -75.3 | 79.5 | -179.8 | 43.9 | 0 | 0 | 0 | 0 | 111.4 | L215 N219 | L215-S217 PolarHBondContact O-N 3.16Å; S217-N219 PolarHBondContact O-N 2.84Å; S217-N219 VanDerWaalsContact O-N 3.14Å | ||
| 218 | I | 61.3 | Low | 57.5 | Low | 129 Ų | 129 | 108.4 Ų | 108.4 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | trans | -61.2 | 116.8 | 175.6 | -59.7 | 170.5 | 0 | 0 | 0 | 109 | P216 A223 | P216-I218 VanDerWaalsContact C-N 3.32Å; P216-I218 PolarHBondContact O-N 3.44Å; I218-A223 HydrophobicContact CG2-CB 4.31Å | ||
| 219 | N | 74.4 | Confident | 58.8 | Low | 81 Ų | 81 | 108.7 Ų | 108.7 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | trans | -59.9 | 124.3 | 176.8 | 178 | -11.4 | 0 | 0 | 0 | 109.8 | S217 L221 S222 A223 | S217-N219 PolarHBondContact O-N 2.84Å; S217-N219 VanDerWaalsContact O-N 3.14Å; N219-L221 PolarHBondContact O-N 3.47Å; N219-L221 VanDerWaalsContact O-N 3.17Å; N219-L221 WeakPolarHBondContact OD1-CB 3.39Å; N219-L221 PolarHBondContact OD1-N 2.93Å; N219-S222 WeakPolarHBondContact O-CB 3.49Å; N219-S222 PolarHBondContact O-N 2.89Å; N219-A223 PolarHBondContact O-N 3.48Å; N219-A223 VanDerWaalsContact O-N 3.07Å | ||
| 220 | P | 74.1 | Confident | 60.9 | Low | 92 Ų | 92 | 110.5 Ų | 110.5 | 60% | 0.597 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.9 | -27.4 | -177.3 | 23.8 | -34.4 | 0 | 0 | 0 | 113.1 | A223 L224 | P220-A223 PolarHBondContact O-N 2.83Å; P220-L224 WeakPolarHBondContact O-CB 3.29Å; P220-L224 WeakPolarHBondContact O-CG 3.2Å; P220-L224 PolarHBondContact O-N 3.24Å |
| 221 | L | 76.6 | Confident | 62.3 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.5 | -39.9 | 173.7 | -62.2 | 174.6 | 0 | 0 | 0 | 111.6 | N219 L224 Q225 | N219-L221 PolarHBondContact O-N 3.47Å; N219-L221 VanDerWaalsContact O-N 3.17Å; N219-L221 WeakPolarHBondContact OD1-CB 3.39Å; N219-L221 PolarHBondContact OD1-N 2.93Å; L221-L224 PolarHBondContact O-N 2.88Å; L221-Q225 WeakPolarHBondContact O-CB 3.34Å; L221-Q225 PolarHBondContact O-N 3.05Å |
| 222 | S | 75.8 | Confident | 63.7 | Low | 68 Ų | 68 | 108.5 Ų | 108.5 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.4 | -35.7 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 112 | N219 Q225 S226 | N219-S222 WeakPolarHBondContact O-CB 3.49Å; N219-S222 PolarHBondContact O-N 2.89Å; S222-Q225 PolarHBondContact O-N 3.26Å; S222-S226 WeakPolarHBondContact O-CB 3.29Å; S222-S226 PolarHBondContact O-N 2.84Å |
| 223 | A | 77.6 | Confident | 64.9 | Low | 44 Ų | 44 | 105.7 Ų | 105.7 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.7 | -48.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I218 N219 P220 Q225 S226 V227 | I218-A223 HydrophobicContact CG2-CB 4.31Å; N219-A223 PolarHBondContact O-N 3.48Å; N219-A223 VanDerWaalsContact O-N 3.07Å; P220-A223 PolarHBondContact O-N 2.83Å; A223-Q225 VanDerWaalsContact C-N 3.32Å; A223-Q225 PolarHBondContact O-N 2.63Å; A223-S226 WeakPolarHBondContact O-CB 3.25Å; A223-S226 PolarHBondContact O-N 2.98Å; A223-V227 WeakPolarHBondContact O-CG2 3.33Å; A223-V227 PolarHBondContact O-N 3.47Å |
| 224 | L | 75.5 | Confident | 65.1 | Low | 105 Ų | 105 | 109.5 Ų | 109.5 | 55% | 0.55 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.1 | -39.7 | 175.5 | -75.2 | 167 | 0 | 0 | 0 | 112.4 | P220 L221 V227 L228 | P220-L224 WeakPolarHBondContact O-CB 3.29Å; P220-L224 WeakPolarHBondContact O-CG 3.2Å; P220-L224 PolarHBondContact O-N 3.24Å; L221-L224 PolarHBondContact O-N 2.88Å; L224-V227 PolarHBondContact O-N 2.8Å; L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 3.41Å |
| 225 | Q | 74.8 | Confident | 65.1 | Low | 131 Ų | 131 | 109.7 Ų | 109.7 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.8 | -32.5 | 179.4 | -163.5 | 154.2 | 19.7 | 0 | 0 | 112.8 | L221 S222 A223 N229 | L221-Q225 WeakPolarHBondContact O-CB 3.34Å; L221-Q225 PolarHBondContact O-N 3.05Å; S222-Q225 PolarHBondContact O-N 3.26Å; A223-Q225 VanDerWaalsContact C-N 3.32Å; A223-Q225 PolarHBondContact O-N 2.63Å; Q225-N229 PolarHBondContact O-N 2.98Å |
| 226 | S | 76.9 | Confident | 64.5 | Low | 67 Ų | 67 | 108.7 Ų | 108.7 | 47% | 0.469 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.3 | -43.2 | 169.5 | -175.1 | 0 | 0 | 0 | 0 | 112 | S222 A223 N229 N230 | S222-S226 WeakPolarHBondContact O-CB 3.29Å; S222-S226 PolarHBondContact O-N 2.84Å; A223-S226 WeakPolarHBondContact O-CB 3.25Å; A223-S226 PolarHBondContact O-N 2.98Å; S226-N229 PolarHBondContact O-N 3.02Å; S226-N230 PolarHBondContact O-N 3.29Å; S226-N230 VanDerWaalsContact O-N 3.09Å; S226-N230 PolarHBondContact O-ND2 2.78Å |
| 227 | V | 78.1 | Confident | 63.9 | Low | 73 Ų | 73 | 112 Ų | 112 | 44% | 0.442 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.8 | -45.3 | 175.3 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | A223 L224 N230 H231 | A223-V227 WeakPolarHBondContact O-CG2 3.33Å; A223-V227 PolarHBondContact O-N 3.47Å; L224-V227 PolarHBondContact O-N 2.8Å; V227-N230 PolarHBondContact O-N 2.99Å; V227-H231 PolarHBondContact O-CD2 2.89Å; V227-H231 PolarHBondContact O-N 2.82Å; V227-H231 VanDerWaalsContact O-N 3.07Å |
| 228 | L | 77.3 | Confident | 63.5 | Low | 102 Ų | 102 | 111.1 Ų | 111.1 | 53% | 0.534 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 177 | -73.2 | 167.5 | 0 | 0 | 0 | 112.7 | L224 N230 H231 L232 | L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 3.41Å; L228-N230 VanDerWaalsContact C-N 3.32Å; L228-N230 PolarHBondContact O-N 3.34Å; L228-H231 PolarHBondContact O-N 3.4Å; L228-L232 WeakPolarHBondContact O-CG 3.41Å; L228-L232 PolarHBondContact O-N 3.16Å |
| 229 | N | 68.9 | Low | 62 | Low | 126 Ų | 126 | 111.9 Ų | 111.9 | 67% | 0.674 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.9 | -36.7 | 175.2 | -90.6 | 7.2 | 0 | 0 | 0 | 112.7 | Q225 S226 | Q225-N229 PolarHBondContact O-N 2.98Å; S226-N229 PolarHBondContact O-N 3.02Å |
| 230 | N | 73.6 | Confident | 60 | Low | 122 Ų | 122 | 118.3 Ų | 118.3 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.9 | -42.1 | 178.3 | -84.7 | -92.1 | 0 | 0 | 0 | 112.4 | S226 V227 L228 L232 | S226-N230 PolarHBondContact O-N 3.29Å; S226-N230 VanDerWaalsContact O-N 3.09Å; S226-N230 PolarHBondContact O-ND2 2.78Å; V227-N230 PolarHBondContact O-N 2.99Å; L228-N230 VanDerWaalsContact C-N 3.32Å; L228-N230 PolarHBondContact O-N 3.34Å; N230-L232 VanDerWaalsContact C-N 3.33Å; N230-L232 PolarHBondContact O-N 2.93Å |
| 231 | H | 62.4 | Low | 57.9 | Low | 153 Ų | 153 | 118.7 Ų | 118.7 | 71% | 0.708 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -80.8 | -6.7 | -174.9 | -65.9 | -50.9 | 0 | 0 | 0 | 115.2 | V227 L228 | V227-H231 PolarHBondContact O-CD2 2.89Å; V227-H231 PolarHBondContact O-N 2.82Å; V227-H231 VanDerWaalsContact O-N 3.07Å; L228-H231 PolarHBondContact O-N 3.4Å |
| 232 | L | 62.5 | Low | 55.9 | Low | 143 Ų | 143 | 119.3 Ų | 119.3 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 2.7 | 179 | -64 | 175.9 | 0 | 0 | 0 | 114.1 | L228 N230 K234 | L228-L232 WeakPolarHBondContact O-CG 3.41Å; L228-L232 PolarHBondContact O-N 3.16Å; N230-L232 VanDerWaalsContact C-N 3.33Å; N230-L232 PolarHBondContact O-N 2.93Å; L232-K234 PolarHBondContact O-N 2.87Å |
| 233 | G | 54.5 | Low | 53.8 | Low | 59 Ų | 59 | 121.5 Ų | 121.5 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | trans | -73.3 | 115.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 234 | K | 44.8 | Very low | 51.6 | Low | 201 Ų | 201 | 125.3 Ų | 125.3 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -143.4 | 122.9 | 157.3 | -77.4 | -161.4 | 174.5 | -174.3 | 0 | 111.9 | L232 | L232-K234 PolarHBondContact O-N 2.87Š| ||
| 235 | A | 34.9 | Very low | 49.4 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 64.5 | 134.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 236 | T | 34 | Very low | 47.5 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | cis | -139 | 152 | 8.4 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 237 | E | 35.7 | Very low | 46.2 | Very low | 180 Ų | 180 | 126.8 Ų | 126.8 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | trans | -86.8 | 174.9 | 166.2 | -104 | -153.1 | 145.5 | 0 | 0 | 112.2 | ||||
| 238 | P | 40.5 | Very low | 43.9 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -134.4 | 178.7 | -2.8 | 36.1 | -17.1 | 0 | 0 | 0 | 116.5 | ||||
| 239 | L | 30 | Very low | 41.6 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 93.9 | 128.1 | 139.5 | -147.9 | 75 | 0 | 0 | 0 | 122.3 | ||||
| 240 | R | 31.5 | Very low | 39.8 | Very low | 216 Ų | 216 | 131 Ų | 131 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | 98.7 | 155.3 | 147.2 | -128.8 | 173.6 | -168.3 | 81.6 | 2.7 | 120 | ||||
| 241 | S | 30.4 | Very low | 37.9 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -80 | 155.9 | -160.4 | -29.3 | 0 | 0 | 0 | 0 | 115.1 | S243 | S241-S243 PolarHBondContact O-N 2.95Š| ||
| 242 | P | 33.6 | Very low | 36.8 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -79.9 | 104 | 172.6 | 32.4 | -33.2 | 0 | 0 | 0 | 112 | ||||
| 243 | S | 33 | Very low | 36.9 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -141 | 101.2 | 157.7 | -80.2 | 0 | 0 | 0 | 0 | 108.7 | S241 | S241-S243 PolarHBondContact O-N 2.95Š| ||
| 244 | C | 30.1 | Very low | 35.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -147.2 | 111.7 | 177.4 | -87.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 245 | S | 29.5 | Very low | 35.6 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -123 | 142.5 | 133.8 | 51.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 246 | S | 35.2 | Very low | 35.5 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -131.6 | -163.6 | -171.8 | -45.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 247 | P | 49.5 | Very low | 35.5 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -139.1 | 164.8 | -9.1 | 39.9 | -23 | 0 | 0 | 0 | 115.9 | ||||
| 248 | N | 29.2 | Very low | 35.4 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -159 | 177.1 | 143.2 | 23.2 | 50.7 | 0 | 0 | 0 | 111.1 | ||||
| 249 | S | 29.3 | Very low | 35 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -135.7 | 165.4 | -146.7 | -171 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 250 | S | 30.7 | Very low | 35.3 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 67.9 | 149.4 | 174.3 | 74.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 251 | T | 34.3 | Very low | 35.4 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | cis | -139.1 | -166.4 | 36 | 46.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 252 | S | 39.4 | Very low | 35.5 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -122.4 | 177.3 | -160.7 | 74 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 253 | P | 64 | Low | 35.7 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -106.8 | 175.1 | -147.7 | 42 | -40.2 | 0 | 0 | 0 | 117.4 | ||||
| 254 | V | 34.2 | Very low | 35.5 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | -141 | 150.5 | 169.9 | 147.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 255 | F | 38.6 | Very low | 35.9 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | -43.3 | 169.2 | -178.9 | -44.2 | -70.7 | 0 | 0 | 0 | 118.2 | ||||
| 256 | H | 33.5 | Very low | 36.6 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -146.7 | 151.9 | 35.3 | -78 | -97 | 0 | 0 | 0 | 112.8 | ||||
| 257 | K | 33.2 | Very low | 36.3 | Very low | 199 Ų | 199 | 137.9 Ų | 137.9 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | 37.6 | 140.8 | 96.7 | -66.5 | -178.3 | 177.9 | 177.9 | 0 | 115.5 | |||||
| 258 | S | 33.7 | Very low | 35.5 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | cis | -146.5 | -173.7 | 28.3 | 52.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 259 | S | 32.6 | Very low | 35.5 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -128.2 | -174 | -173.9 | -175 | 0 | 0 | 0 | 0 | 112 | ||||
| 260 | L | 35.7 | Very low | 36.2 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 93.7 | 154.2 | 171.8 | -57.1 | 160.9 | 0 | 0 | 0 | 117.2 | ||||
| 261 | H | 34.3 | Very low | 36.1 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | cis | -174.7 | 177.6 | -39.1 | -140 | -105.1 | 0 | 0 | 0 | 109.7 | ||||
| 262 | V | 32 | Very low | 35.8 | Very low | 114 Ų | 114 | 137 Ų | 137 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 75.4 | 118.6 | 164.1 | -173.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 263 | V | 37.6 | Very low | 35.4 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | 69.5 | 122.8 | 71.6 | 153.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 264 | D | 29.6 | Very low | 33.9 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | -168.1 | -165.9 | 70.2 | -160.1 | -163.4 | 0 | 0 | 0 | 114.4 | |||||
| 265 | K | 38.8 | Very low | 34.2 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -125.8 | 155.4 | 173.5 | -89.2 | 177.2 | 177.1 | 175.5 | 0 | 109.2 | ||||
| 266 | P | 43.5 | Very low | 33.8 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -166 | 169.5 | 64.7 | 46.2 | -24.1 | 0 | 0 | 0 | 121 | |||||
| 267 | V | 29.4 | Very low | 33.7 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 149.5 | 133.4 | 158.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 268 | I | 32.3 | Very low | 33.7 | Very low | 162 Ų | 162 | 131 Ų | 131 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | 63.3 | 139.9 | 178.7 | 2.8 | 171.5 | 0 | 0 | 0 | 121.8 | ||||
| 269 | S | 29.7 | Very low | 33.7 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -116.7 | 158.4 | 161.7 | -40.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 270 | P | 42.8 | Very low | 34.1 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | -156.4 | 144.3 | 104.7 | 36.2 | -16.6 | 0 | 0 | 0 | 118.6 | |||||
| 271 | T | 28.2 | Very low | 34.1 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 65.5 | 146.9 | 131.6 | -50.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 272 | S | 28.1 | Very low | 34.1 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 83.4 | 142.9 | 166 | -136.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 273 | T | 30.9 | Very low | 34.1 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | cis | -144.9 | 162.4 | 6.7 | -41.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 274 | R | 32.5 | Very low | 34.2 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -129.6 | 129.4 | 171.9 | 173.9 | 170.6 | -172.8 | -142.7 | -0.5 | 110.5 | ||||
| 275 | P | 40.5 | Very low | 34.4 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | -135.7 | -166.7 | 101.7 | 42.6 | -29.7 | 0 | 0 | 0 | 110.9 | |||||
| 276 | A | 30.8 | Very low | 34.4 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | cis | -141.8 | -90 | 3.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 277 | A | 30.8 | Very low | 34 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -154.2 | 171.3 | -162 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 278 | S | 33.3 | Very low | 34.8 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | -113.6 | 144.5 | 7.2 | 44.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 279 | V | 34.5 | Very low | 35.8 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | 63.3 | 80.6 | 68.4 | -170.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 280 | A | 39.9 | Very low | 37.3 | Very low | 103 Ų | 103 | 146 Ų | 146 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -143.5 | 117.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 281 | R | 36 | Very low | 37.7 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -105.6 | 140 | 170.9 | -61.3 | -177.6 | -173.9 | 120.6 | -4.7 | 107.9 | ||||
| 282 | H | 34.6 | Very low | 39.5 | Very low | 193 Ų | 193 | 147 Ų | 147 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | -158.9 | 147 | 118.8 | -112 | -81.9 | 0 | 0 | 0 | 109.4 | |||||
| 283 | Y | 32.1 | Very low | 40.9 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -85.5 | 144.7 | -170.9 | -68.3 | -98.8 | 0 | 0 | 0 | 111.6 | ||||
| 284 | L | 39.9 | Very low | 41.9 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | trans | -121.1 | 153.2 | 156.1 | -97.9 | 170.6 | 0 | 0 | 0 | 110.2 | ||||
| 285 | F | 34.1 | Very low | 42.6 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -80.6 | 162.1 | -152.3 | 178.1 | -100.6 | 0 | 0 | 0 | 114.9 | ||||
| 286 | E | 39.3 | Very low | 42.6 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | trans | -49.2 | 151.4 | 177.6 | -142.3 | 88.9 | 177.2 | 0 | 0 | 114.2 | T288 | E286-T288 HydrophobicContact CG-CG2 3.84Š| ||
| 287 | N | 34.6 | Very low | 43.6 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -146.6 | 82.1 | 162.2 | -150 | -42.5 | 0 | 0 | 0 | 111 | D289 | N287-D289 PolarHBondContact O-N 3.49Š| ||
| 288 | T | 46.5 | Very low | 44 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -92 | 87.7 | -179.1 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | E286 | E286-T288 HydrophobicContact CG-CG2 3.84Š| ||
| 289 | D | 53 | Low | 44.3 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -146.1 | 92 | 155.3 | -163.5 | 13.8 | 0 | 0 | 0 | 111 | N287 | N287-D289 PolarHBondContact O-N 3.49Š| ||
| 290 | Q | 60.6 | Low | 44.3 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -132.1 | 133.6 | 162.3 | -73 | -165.5 | -0.8 | 0 | 0 | 108.7 | ||||
| 291 | P | 51.2 | Low | 44.3 | Very low | 126 Ų | 126 | 162.1 Ų | 162.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70 | 141.1 | -176 | 28.2 | -34.8 | 0 | 0 | 0 | 111.9 | D293 | P291-D293 PolarHBondContact O-N 2.93Š|
| 292 | I | 65.7 | Low | 44.3 | Very low | 146 Ų | 146 | 156 Ų | 156 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 121.9 | -179 | -72 | 174.6 | 0 | 0 | 0 | 111.2 | L294 | I292-L294 HydrophobicContact CG2-CD2 3.63Å; I292-L294 HydrophobicContact CG2-CG 4.1Å |
| 293 | D | 57.6 | Low | 44.3 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79 | 118.8 | 167.3 | 178.4 | 1.2 | 0 | 0 | 0 | 110.4 | P291 T295 | P291-D293 PolarHBondContact O-N 2.93Å; D293-T295 VanDerWaalsContact CG-OG1 3.29Å; D293-T295 VanDerWaalsContact OD1-CB 3.26Å; D293-T295 WeakPolarHBondContact OD1-CB 3.31Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.19Å; D293-T295 PolarHBondContact OD1-N 2.84Å; D293-T295 PolarHBondContact OD1-OG1 2.85Å; D293-T295 PolarHBondContact OD2-OG1 2.87Å |
| 294 | L | 51.8 | Low | 44.4 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | -96.9 | 9.4 | -178.6 | -65.6 | 176.6 | 0 | 0 | 0 | 114.1 | I292 K296 | I292-L294 HydrophobicContact CG2-CD2 3.63Å; I292-L294 HydrophobicContact CG2-CG 4.1Å; L294-K296 PolarHBondContact O-N 3.46Å; L294-K296 VanDerWaalsContact O-N 3.09Å | ||
| 295 | T | 47.3 | Very low | 44.1 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | trans | -72.3 | 1.5 | -172.8 | 58.6 | 0 | 0 | 0 | 0 | 115.8 | D293 | D293-T295 VanDerWaalsContact CG-OG1 3.29Å; D293-T295 VanDerWaalsContact OD1-CB 3.26Å; D293-T295 WeakPolarHBondContact OD1-CB 3.31Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.19Å; D293-T295 PolarHBondContact OD1-N 2.84Å; D293-T295 PolarHBondContact OD1-OG1 2.85Å; D293-T295 PolarHBondContact OD2-OG1 2.87Å | ||
| 296 | K | 41.4 | Very low | 44.2 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -128.6 | 89.1 | -178.7 | -69.7 | -178 | -177.4 | 168.4 | 0 | 113.8 | L294 | L294-K296 PolarHBondContact O-N 3.46Å; L294-K296 VanDerWaalsContact O-N 3.09Å | ||
| 297 | S | 51.5 | Low | 44 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -115.6 | 123.7 | 166.4 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 298 | K | 40.1 | Very low | 44 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -156.3 | 88.8 | 164 | -159.6 | 146.1 | -171.7 | 169.2 | 0 | 115 | ||||
| 299 | S | 38.7 | Very low | 43.5 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 35.9 | 128.2 | 141.9 | 66.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 300 | K | 35.2 | Very low | 42.4 | Very low | 208 Ų | 208 | 144 Ų | 144 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | -153.9 | 165.1 | 94.6 | -131.1 | 178 | 179.2 | -177.2 | 0 | 112.2 | |||||
| 301 | R | 39.3 | Very low | 41.4 | Very low | 220 Ų | 220 | 142.4 Ų | 142.4 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -78.2 | 176.9 | 177.4 | -52.3 | -170.3 | -172.5 | -177.2 | 3 | 110.9 | E303 | R301-E303 IonicContact NH1-OE1 3.97Š| ||
| 302 | A | 35.9 | Very low | 40.7 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 63% | 0.628 | 79% | 0.785 | S | S | * | * | cis | -159.3 | -177.5 | 19.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 303 | E | 34.5 | Very low | 40 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | cis | -153.7 | 163.7 | 4 | -155.2 | 92.6 | -113.1 | 0 | 0 | 110 | R301 | R301-E303 IonicContact NH1-OE1 3.97Š| ||
| 304 | S | 33.7 | Very low | 39.7 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 22.1 | 141 | 150.6 | -71.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 305 | S | 33.7 | Very low | 40 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | cis | -161.4 | 142.8 | 1.6 | -91.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 306 | Q | 37.3 | Very low | 40.6 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -149.5 | 160.6 | 161.5 | -165.5 | 176 | 10.4 | 0 | 0 | 110.5 | ||||
| 307 | A | 33.6 | Very low | 41.4 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | 77.5 | 102.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 308 | Q | 36.4 | Very low | 42 | Very low | 194 Ų | 194 | 136 Ų | 136 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | trans | -85.3 | 166.9 | 136 | -73.1 | -173.6 | -57 | 0 | 0 | 109.6 | ||||
| 309 | S | 34.4 | Very low | 43.3 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -48.4 | 160.3 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 310 | C | 30.3 | Very low | 44.9 | Very low | 125 Ų | 125 | 131 Ų | 131 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | cis | -143 | 143 | 29.3 | -53.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 311 | T | 40.1 | Very low | 46.6 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 90% | 0.896 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 137.3 | 165.5 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 312 | S | 37 | Very low | 48.1 | Very low | 109 Ų | 109 | 119 Ų | 119 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 152.8 | 172.8 | 45 | 0 | 0 | 0 | 0 | 111.7 | ||
| 313 | P | 50 | Low | 50 | Low | 111 Ų | 111 | 117.4 Ų | 117.4 | 72% | 0.721 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 152.8 | 178.3 | 29.7 | -35.3 | 0 | 0 | 0 | 112 | Q315 | P313-Q315 PolarHBondContact O-N 2.92Š|
| 314 | P | 51.2 | Low | 52 | Low | 101 Ų | 101 | 114.6 Ų | 114.6 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | trans | -72.1 | 100.3 | -175.1 | 28.9 | -35.1 | 0 | 0 | 0 | 112.4 | K316 H317 | P314-K316 PolarHBondContact O-N 3.24Å; P314-H317 PolarHBondContact O-N 2.84Å | ||
| 315 | Q | 58.3 | Low | 54 | Low | 160 Ų | 160 | 115.7 Ų | 115.7 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -52.8 | -12.9 | 179.3 | -167.2 | 177.2 | 6.3 | 0 | 0 | 115.5 | P313 H317 | P313-Q315 PolarHBondContact O-N 2.92Å; Q315-H317 PolarHBondContact O-N 3.12Å |
| 316 | K | 60.6 | Low | 55.7 | Low | 181 Ų | 181 | 114.8 Ų | 114.8 | 79% | 0.787 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.3 | -25.4 | -176 | -61.7 | -171.9 | 179.5 | -175.9 | 0 | 114.4 | P314 | P314-K316 PolarHBondContact O-N 3.24Å |
| 317 | H | 58.3 | Low | 57.3 | Low | 126 Ų | 126 | 112.6 Ų | 112.6 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -85.9 | -36.2 | 175.2 | -76.8 | -82.6 | 0 | 0 | 0 | 112.8 | P314 Q315 L319 C320 D321 | P314-H317 PolarHBondContact O-N 2.84Å; Q315-H317 PolarHBondContact O-N 3.12Å; H317-L319 PolarHBondContact O-N 3.35Å; H317-C320 WeakPolarHBondContact O-CA 3.38Å; H317-C320 WeakPolarHBondContact O-CB 3.13Å; H317-C320 PolarHBondContact O-N 2.76Å; H317-D321 VanDerWaalsContact C-OD2 3.3Å; H317-D321 VanDerWaalsContact O-CG 3.25Å; H317-D321 PolarHBondContact O-N 3.23Å |
| 318 | A | 64.1 | Low | 58.4 | Low | 44 Ų | 44 | 114 Ų | 114 | 36% | 0.364 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -53.8 | -35.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I322 | A318-I322 WeakPolarHBondContact O-CB 3.45Å; A318-I322 WeakPolarHBondContact O-CD1 3.23Å; A318-I322 WeakPolarHBondContact O-CG1 3.37Å; A318-I322 PolarHBondContact O-N 3.31Å |
| 319 | L | 67.3 | Low | 59.4 | Low | 124 Ų | 124 | 110.4 Ų | 110.4 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.7 | -30.6 | 176.4 | -64.5 | 178.3 | 0 | 0 | 0 | 113.2 | H317 A323 | H317-L319 PolarHBondContact O-N 3.35Å; L319-A323 WeakPolarHBondContact O-CB 3.32Å; L319-A323 PolarHBondContact O-N 2.72Å; L319-A323 VanDerWaalsContact O-N 3.11Å |
| 320 | C | 72.5 | Confident | 60.4 | Low | 69 Ų | 69 | 110.5 Ų | 110.5 | 47% | 0.466 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.1 | -44.7 | 171.6 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | H317 I322 A323 D324 | H317-C320 WeakPolarHBondContact O-CA 3.38Å; H317-C320 WeakPolarHBondContact O-CB 3.13Å; H317-C320 PolarHBondContact O-N 2.76Å; C320-I322 VanDerWaalsContact C-N 3.33Å; C320-I322 PolarHBondContact O-N 3.32Å; C320-A323 CarbonylContact O-C 3.57Å; C320-A323 WeakPolarHBondContact O-CA 3.36Å; C320-A323 WeakPolarHBondContact O-CB 3.48Å; C320-A323 PolarHBondContact O-N 3.12Å; C320-D324 PolarHBondContact O-N 3.11Å |
| 321 | D | 71.1 | Confident | 61.8 | Low | 86 Ų | 86 | 115 Ų | 115 | 46% | 0.46 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.3 | -42 | 178.6 | -54.3 | -33.2 | 0 | 0 | 0 | 111.1 | H317 D324 M325 | H317-D321 VanDerWaalsContact C-OD2 3.3Å; H317-D321 VanDerWaalsContact O-CG 3.25Å; H317-D321 PolarHBondContact O-N 3.23Å; D321-D324 PolarHBondContact O-N 2.69Å; D321-M325 WeakPolarHBondContact O-CB 3.5Å; D321-M325 WeakPolarHBondContact O-CG 3.3Å; D321-M325 PolarHBondContact O-N 2.64Å |
| 322 | I | 70.1 | Confident | 62.2 | Low | 90 Ų | 90 | 112 Ų | 112 | 46% | 0.462 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.1 | -44.8 | 171.3 | -71.6 | 164.5 | 0 | 0 | 0 | 110.9 | A318 C320 D324 M325 V326 | A318-I322 WeakPolarHBondContact O-CB 3.45Å; A318-I322 WeakPolarHBondContact O-CD1 3.23Å; A318-I322 WeakPolarHBondContact O-CG1 3.37Å; A318-I322 PolarHBondContact O-N 3.31Å; C320-I322 VanDerWaalsContact C-N 3.33Å; C320-I322 PolarHBondContact O-N 3.32Å; I322-D324 VanDerWaalsContact C-N 3.29Å; I322-D324 PolarHBondContact O-N 3.14Å; I322-M325 HydrophobicContact CG1-CE 4.27Å; I322-M325 PolarHBondContact O-N 2.9Å; I322-V326 HydrophobicContact CG2-CG2 4.47Å; I322-V326 WeakPolarHBondContact O-CB 3.19Å; I322-V326 VanDerWaalsContact O-CG2 3.27Å; I322-V326 WeakPolarHBondContact O-CG2 3.17Å; I322-V326 PolarHBondContact O-N 2.86Å |
| 323 | A | 76.2 | Confident | 62.4 | Low | 42 Ų | 42 | 113 Ų | 113 | 35% | 0.347 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.8 | -33.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L319 C320 K327 | L319-A323 WeakPolarHBondContact O-CB 3.32Å; L319-A323 PolarHBondContact O-N 2.72Å; L319-A323 VanDerWaalsContact O-N 3.11Å; C320-A323 CarbonylContact O-C 3.57Å; C320-A323 WeakPolarHBondContact O-CA 3.36Å; C320-A323 WeakPolarHBondContact O-CB 3.48Å; C320-A323 PolarHBondContact O-N 3.12Å; A323-K327 WeakPolarHBondContact O-CD 3.22Å; A323-K327 VanDerWaalsContact O-CE 3.3Å; A323-K327 WeakPolarHBondContact O-CE 3.37Å; A323-K327 VanDerWaalsContact O-CG 3.26Å; A323-K327 WeakPolarHBondContact O-CG 3.41Å; A323-K327 PolarHBondContact O-N 3.48Å |
| 324 | D | 75.6 | Confident | 61.9 | Low | 84 Ų | 84 | 114.4 Ų | 114.4 | 45% | 0.449 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -80.8 | -38.6 | 176.8 | -74 | -22.3 | 0 | 0 | 0 | 112.5 | C320 D321 I322 V326 K327 V328 | C320-D324 PolarHBondContact O-N 3.11Å; D321-D324 PolarHBondContact O-N 2.69Å; I322-D324 VanDerWaalsContact C-N 3.29Å; I322-D324 PolarHBondContact O-N 3.14Å; D324-V326 VanDerWaalsContact C-N 3.28Å; D324-V326 PolarHBondContact O-N 3.1Å; D324-K327 WeakPolarHBondContact O-CB 3.43Å; D324-K327 PolarHBondContact O-N 2.87Å; D324-K327 WeakPolarHBondContact OD1-CD 3.46Å; D324-K327 WeakPolarHBondContact OD1-CE 3.37Å; D324-K327 IonicContact OD1-NZ 3.7Å; D324-K327 PolarHBondContact OD1-NZ 3.39Å; D324-V328 WeakPolarHBondContact O-CG2 3.18Å; D324-V328 PolarHBondContact O-N 3.4Å; D324-V328 VanDerWaalsContact O-N 3.17Å |
| 325 | M | 76.9 | Confident | 61.3 | Low | 124 Ų | 124 | 115.2 Ų | 115.2 | 61% | 0.611 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -57.3 | -41.7 | 169.5 | -75 | -166.8 | -63.3 | 0 | 0 | 111.9 | D321 I322 K327 V328 L329 | D321-M325 WeakPolarHBondContact O-CB 3.5Å; D321-M325 WeakPolarHBondContact O-CG 3.3Å; D321-M325 PolarHBondContact O-N 2.64Å; I322-M325 HydrophobicContact CG1-CE 4.27Å; I322-M325 PolarHBondContact O-N 2.9Å; M325-K327 VanDerWaalsContact C-N 3.28Å; M325-K327 PolarHBondContact O-N 3.48Å; M325-V328 PolarHBondContact O-N 3.06Å; M325-L329 PolarHBondContact O-N 2.91Å |
| 326 | V | 67.9 | Low | 60.5 | Low | 95 Ų | 95 | 117.2 Ų | 117.2 | 58% | 0.576 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.6 | -24.8 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 112.7 | I322 D324 | I322-V326 HydrophobicContact CG2-CG2 4.47Å; I322-V326 WeakPolarHBondContact O-CB 3.19Å; I322-V326 VanDerWaalsContact O-CG2 3.27Å; I322-V326 WeakPolarHBondContact O-CG2 3.17Å; I322-V326 PolarHBondContact O-N 2.86Å; D324-V326 VanDerWaalsContact C-N 3.28Å; D324-V326 PolarHBondContact O-N 3.1Å |
| 327 | K | 70.8 | Confident | 59.3 | Low | 148 Ų | 148 | 114.3 Ų | 114.3 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.8 | -27.2 | 172.7 | -69.8 | 164 | -155.8 | 164.4 | 0 | 113.3 | A323 D324 M325 | A323-K327 WeakPolarHBondContact O-CD 3.22Å; A323-K327 VanDerWaalsContact O-CE 3.3Å; A323-K327 WeakPolarHBondContact O-CE 3.37Å; A323-K327 VanDerWaalsContact O-CG 3.26Å; A323-K327 WeakPolarHBondContact O-CG 3.41Å; A323-K327 PolarHBondContact O-N 3.48Å; D324-K327 WeakPolarHBondContact O-CB 3.43Å; D324-K327 PolarHBondContact O-N 2.87Å; D324-K327 WeakPolarHBondContact OD1-CD 3.46Å; D324-K327 WeakPolarHBondContact OD1-CE 3.37Å; D324-K327 IonicContact OD1-NZ 3.7Å; D324-K327 PolarHBondContact OD1-NZ 3.39Å; M325-K327 VanDerWaalsContact C-N 3.28Å; M325-K327 PolarHBondContact O-N 3.48Å |
| 328 | V | 58.2 | Low | 58.1 | Low | 121 Ų | 121 | 112.7 Ų | 112.7 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81.4 | -16.8 | -178.1 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | D324 M325 P330 | D324-V328 WeakPolarHBondContact O-CG2 3.18Å; D324-V328 PolarHBondContact O-N 3.4Å; D324-V328 VanDerWaalsContact O-N 3.17Å; M325-V328 PolarHBondContact O-N 3.06Å; V328-P330 WeakPolarHBondContact O-CD 3.28Å |
| 329 | L | 57.6 | Low | 56.7 | Low | 120 Ų | 120 | 115.2 Ų | 115.2 | 63% | 0.628 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -65.2 | 123.7 | 174.3 | -67.2 | 176.2 | 0 | 0 | 0 | 112.1 | M325 K331 | M325-L329 PolarHBondContact O-N 2.91Å; L329-K331 PolarHBondContact O-N 3.34Å |
| 330 | P | 53.9 | Low | 54.9 | Low | 114 Ų | 114 | 114.8 Ų | 114.8 | 74% | 0.74 | 68% | 0.677 | S | S | * | * | trans | -63.1 | 133.6 | 177.2 | -24.2 | 35.1 | 0 | 0 | 0 | 113.2 | V328 A332 | V328-P330 WeakPolarHBondContact O-CD 3.28Å; P330-A332 VanDerWaalsContact C-N 3.26Å; P330-A332 PolarHBondContact O-N 2.81Å | ||
| 331 | K | 59.9 | Low | 52.9 | Low | 220 Ų | 220 | 116.5 Ų | 116.5 | 96% | 0.957 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -76.8 | 65.1 | -180 | -69.1 | 170.9 | 177.8 | 166.7 | 0 | 112.3 | L329 | L329-K331 PolarHBondContact O-N 3.34Š|
| 332 | A | 49.7 | Very low | 51.1 | Low | 82 Ų | 82 | 123.5 Ų | 123.5 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | -151.1 | 42.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | P330 | P330-A332 VanDerWaalsContact C-N 3.26Å; P330-A332 PolarHBondContact O-N 2.81Å | ||
| 333 | T | 41.3 | Very low | 49.5 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -143 | 93.3 | 161.9 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 334 | T | 39 | Very low | 48.5 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | trans | -116.2 | 95.3 | 167.8 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 335 | P | 38.3 | Very low | 46.9 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 133.7 | 161.6 | 30.3 | -30.1 | 0 | 0 | 0 | 109.3 | P337 | P335-P337 WeakPolarHBondContact O-CD 3.35Š|
| 336 | K | 40.6 | Very low | 45 | Very low | 202 Ų | 202 | 133.3 Ų | 133.3 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -88 | 120.9 | -173.2 | 177.3 | -175.6 | -177.2 | 179.4 | 0 | 111.4 | ||
| 337 | P | 36.5 | Very low | 43.6 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 148.3 | 163.3 | 35 | -30.3 | 0 | 0 | 0 | 111.3 | P335 | P335-P337 WeakPolarHBondContact O-CD 3.35Š|
| 338 | A | 32.5 | Very low | 42.3 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -108.5 | 151.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 339 | A | 35.3 | Very low | 41.2 | Very low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 22.1 | 131.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 340 | S | 29.9 | Very low | 40.4 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 97.7 | 111 | 133.5 | -148 | 0 | 0 | 0 | 0 | 121 | ||||
| 341 | S | 29.2 | Very low | 39.6 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 87.5 | 152.9 | 131 | -154.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 342 | R | 33.1 | Very low | 38.3 | Very low | 234 Ų | 234 | 138 Ų | 138 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 80.5 | 163.5 | 170.5 | -56.1 | -167.8 | 178.4 | 172.1 | 1.2 | 118 | ||||
| 343 | V | 37.9 | Very low | 37.8 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -129.4 | -164.1 | -148.2 | -150.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 344 | P | 55.3 | Low | 37.4 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | -87.6 | -170.4 | -122.6 | 43.2 | -30.4 | 0 | 0 | 0 | 114.8 | |||||
| 345 | P | 41.1 | Very low | 37.1 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -138 | 174.4 | 108.1 | 38.9 | -28.4 | 0 | 0 | 0 | 115.6 | |||||
| 346 | M | 37.1 | Very low | 37.4 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -83.7 | 162.2 | -174.4 | -60.3 | 164.6 | 157.3 | 0 | 0 | 114.6 | ||||
| 347 | K | 38.2 | Very low | 37.2 | Very low | 214 Ų | 214 | 150.7 Ų | 150.7 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -153.9 | 171 | 131.6 | -114.7 | 172.3 | -176.6 | -177 | 0 | 111.8 | ||||
| 348 | L | 43.7 | Very low | 37.1 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -138.3 | 173.8 | -153.2 | -146.9 | 147.6 | 0 | 0 | 0 | 110.6 | ||||
| 349 | E | 34.4 | Very low | 37.5 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 80 | 149.5 | 168.5 | -53.6 | -178.7 | 164.4 | 0 | 0 | 115.7 | ||||
| 350 | I | 42.8 | Very low | 37.5 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | cis | -143.5 | 171.9 | 10.3 | -142.6 | 155.1 | 0 | 0 | 0 | 113 | ||||
| 351 | D | 35.7 | Very low | 37.9 | Very low | 130 Ų | 130 | 155 Ų | 155 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -95.4 | 179.6 | -172.5 | -179.8 | 35.4 | 0 | 0 | 0 | 114.4 | ||||
| 352 | V | 33.3 | Very low | 38.2 | Very low | 101 Ų | 101 | 156.6 Ų | 156.6 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | trans | 103.2 | 87.2 | 154.5 | -165.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 353 | R | 38.7 | Very low | 38.3 | Very low | 210 Ų | 210 | 151.1 Ų | 151.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | 43.3 | 124.3 | 131.2 | -49.4 | 178.8 | -156.6 | 178.6 | 6 | 120.6 | ||||
| 354 | R | 33.7 | Very low | 38.4 | Very low | 241 Ų | 241 | 151.3 Ų | 151.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | -149.9 | 172.3 | 113.7 | -111.3 | 173.6 | -145 | 77.6 | -10.6 | 110.6 | |||||
| 355 | F | 32.4 | Very low | 37.6 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | -114.1 | 178.8 | -162.8 | -129.3 | -114.3 | 0 | 0 | 0 | 111.7 | ||||
| 356 | E | 43.5 | Very low | 37.9 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 71.6 | 135.5 | 177.6 | -91.5 | 59.4 | -112.2 | 0 | 0 | 119.8 | ||||
| 357 | D | 36.9 | Very low | 38.3 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | 57.9 | 83.6 | 156.2 | -155.8 | 24.3 | 0 | 0 | 0 | 122.3 | ||||
| 358 | V | 34.4 | Very low | 38.5 | Very low | 122 Ų | 122 | 157.6 Ų | 157.6 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | -146.3 | 98.6 | 112.7 | 177 | 0 | 0 | 0 | 0 | 108.6 | S360 | V358-S360 PolarHBondContact O-N 3.41Š| |||
| 359 | S | 40.1 | Very low | 38.7 | Very low | 121 Ų | 121 | 159.4 Ų | 159.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -98.5 | 72.4 | 179.9 | -164.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 360 | S | 35.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 154.1 Ų | 154.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -157.9 | -34.8 | 176.2 | -149 | 0 | 0 | 0 | 0 | 117.3 | V358 | V358-S360 PolarHBondContact O-N 3.41Š|
| 361 | E | 38.5 | Very low | 38.7 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -107.8 | 17.2 | -153.5 | -56.5 | -153.1 | 144.7 | 0 | 0 | 118.4 | ||
| 362 | V | 35.1 | Very low | 39.4 | Very low | 136 Ų | 136 | 158.8 Ų | 158.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -127.1 | 73.7 | 173.6 | -166.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 363 | S | 35.4 | Very low | 40.7 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -141.7 | 32.2 | 165.4 | -141.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 364 | T | 41.7 | Very low | 42.1 | Very low | 138 Ų | 138 | 156 Ų | 156 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -100.7 | 19.8 | 166.7 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | H366 | T364-H366 PolarHBondContact O-N 3.28Š| ||
| 365 | L | 36.7 | Very low | 44.6 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -64.9 | 99.1 | -178.6 | -177.1 | 64.1 | 0 | 0 | 0 | 112.1 | K367 | L365-K367 VanDerWaalsContact C-N 3.31Å; L365-K367 PolarHBondContact O-N 3.07Å | ||
| 366 | H | 47.9 | Very low | 47.4 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | trans | 43 | 40.4 | 146.4 | -78.4 | 93.3 | 0 | 0 | 0 | 118.4 | T364 R368 | T364-H366 PolarHBondContact O-N 3.28Å; H366-R368 PolarHBondContact O-N 3.45Å; H366-R368 VanDerWaalsContact O-N 3.16Å | ||
| 367 | K | 45.2 | Very low | 49.7 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | trans | -62.6 | 119.7 | 156.1 | -69 | -166 | 178.2 | -176.4 | 0 | 107.8 | L365 K369 | L365-K367 VanDerWaalsContact C-N 3.31Å; L365-K367 PolarHBondContact O-N 3.07Å; K367-K369 PolarHBondContact O-N 3.17Å | ||
| 368 | R | 42.8 | Very low | 52.4 | Low | 244 Ų | 244 | 136.6 Ų | 136.6 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | trans | -42.5 | 131.8 | 176.2 | -69 | 177.6 | 178.9 | 153.1 | -0.1 | 109 | H366 G370 | H366-R368 PolarHBondContact O-N 3.45Å; H366-R368 VanDerWaalsContact O-N 3.16Å; R368-G370 PolarHBondContact O-N 2.97Å | ||
| 369 | K | 47.2 | Very low | 55.2 | Low | 185 Ų | 185 | 132.6 Ų | 132.6 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -73.9 | 65.7 | -177.7 | -168.5 | 142.3 | 174.4 | 176.1 | 0 | 111.1 | K367 | K367-K369 PolarHBondContact O-N 3.17Š| ||
| 370 | G | 39 | Very low | 57.8 | Low | 54 Ų | 54 | 129.1 Ų | 129.1 | 56% | 0.557 | 66% | 0.66 | S | S | * | * | trans | -49.8 | 140.4 | 163 | 0 | 0 | 0 | 0 | 0 | 108.5 | R368 Q372 | R368-G370 PolarHBondContact O-N 2.97Å; G370-Q372 PolarHBondContact O-N 3Å | ||
| 371 | R | 39.6 | Very low | 60.6 | Low | 247 Ų | 247 | 124.5 Ų | 124.5 | 93% | 0.932 | 63% | 0.627 | S | S | * | * | trans | -46.5 | 107.7 | -169.8 | -67 | 177.1 | 179.3 | -94.9 | 2.2 | 109.5 | S373 | R371-S373 PolarHBondContact O-N 2.51Å; R371-S373 VanDerWaalsContact O-N 3.11Å | ||
| 372 | Q | 49.9 | Very low | 63.3 | Low | 141 Ų | 141 | 116.8 Ų | 116.8 | 66% | 0.659 | 59% | 0.591 | S | S | * | * | trans | -54.8 | 122.3 | 173.9 | -73.4 | -71.9 | -14.6 | 0 | 0 | 106.2 | G370 N374 | G370-Q372 PolarHBondContact O-N 3Å; Q372-N374 PolarHBondContact O-N 2.52Å | ||
| 373 | S | 60.7 | Low | 66.2 | Low | 87 Ų | 87 | 110.4 Ų | 110.4 | 61% | 0.608 | 55% | 0.552 | S | S | * | * | trans | -64.7 | 107.6 | -173.5 | 40.9 | 0 | 0 | 0 | 0 | 108.1 | R371 W375 | R371-S373 PolarHBondContact O-N 2.51Å; R371-S373 VanDerWaalsContact O-N 3.11Å; S373-W375 PolarHBondContact O-N 3.08Å | ||
| 374 | N | 68.6 | Low | 69.1 | Low | 164 Ų | 164 | 105.4 Ų | 105.4 | 88% | 0.877 | 52% | 0.515 | S | S | * | . | trans | -78.6 | 71.1 | -171.6 | -165.6 | -12.8 | 0 | 0 | 0 | 109.9 | Q372 | Q372-N374 PolarHBondContact O-N 2.52Š| ||
| 375 | W | 86.4 | Confident | 71.6 | Confident | 69 Ų | 69 | 98.9 Ų | 98.9 | 26% | 0.261 | 48% | 0.476 | S | S | . | . | trans | -79 | 132 | 167.6 | -71.4 | 90.2 | 0 | 0 | 0 | 108.7 | S373 L380 L383 L418 T422 W426 | S373-W375 PolarHBondContact O-N 3.08Å; W375-L380 HydrophobicContact CB-CD1 3.79Å; W375-L380 HydrophobicContact CB-CD2 3.91Å; W375-L380 HydrophobicContact CB-CG 3.76Å; W375-L380 HydrophobicContact CD2-CD2 4.08Å; W375-L380 HydrophobicContact CE3-CD2 4.17Å; W375-L380 HydrophobicContact CG-CD2 3.99Å; W375-L380 HydrophobicContact CG-CG 4.39Å; W375-L383 HydrophobicContact CE3-CD1 4.32Å; W375-L383 HydrophobicContact CZ3-CD1 3.88Å; W375-L418 HydrophobicContact CE3-CD1 4.5Å; W375-L418 HydrophobicContact CZ3-CD1 3.92Å; W375-L418 HydrophobicContact CZ3-CD2 4.3Å; W375-T422 HydrophobicContact CH2-CG2 3.45Å; W375-T422 VanDerWaalsContact CH2-CG2 3.45Å; W375-T422 HydrophobicContact CZ2-CG2 4.3Å; W375-T422 HydrophobicContact CZ3-CG2 3.9Å; W375-W426 HydrophobicContact CH2-CB 3.8Å; W375-W426 AromaticContact CH2-CD1 3.84Å; W375-W426 HydrophobicContact CH2-CG 4.14Å; W375-W426 HydrophobicContact CZ2-CB 4.23Å; W375-W426 AromaticContact CZ2-CD1 3.85Å; W375-W426 HydrophobicContact CZ2-CG 4.44Å | ||
| 376 | N | 91.1 | Very high | 74.4 | Confident | 56 Ų | 56 | 93.2 Ų | 93.2 | 30% | 0.299 | 45% | 0.445 | S | S | . | . | trans | -56.7 | 123.9 | 167.7 | 177.1 | -4 | 0 | 0 | 0 | 108.7 | Q378 H379 L380 | N376-Q378 VanDerWaalsContact C-N 3.25Å; N376-Q378 PolarHBondContact O-N 3.27Å; N376-Q378 PolarHBondContact OD1-N 3.06Å; N376-H379 HydrophobicContact CB-CB 4.16Å; N376-H379 PolarHBondContact ND2-CD2 3.26Å; N376-H379 PolarHBondContact ND2-NE2 3.37Å; N376-H379 WeakPolarHBondContact O-CB 3.47Å; N376-H379 PolarHBondContact O-N 3.35Å; N376-L380 PolarHBondContact O-N 3.38Å; N376-L380 VanDerWaalsContact O-N 3.11Å | ||
| 377 | P | 91.1 | Very high | 76.6 | Confident | 80 Ų | 80 | 85 Ų | 85 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.7 | -39.2 | 179.1 | 21.5 | -33.4 | 0 | 0 | 0 | 112.4 | H379 L380 L381 | P377-H379 VanDerWaalsContact C-N 3.3Å; P377-H379 PolarHBondContact O-N 3.33Å; P377-L380 CarbonylContact O-C 3.6Å; P377-L380 WeakPolarHBondContact O-CA 3.38Å; P377-L380 WeakPolarHBondContact O-CB 3.41Å; P377-L380 PolarHBondContact O-N 3.29Å; P377-L381 WeakPolarHBondContact O-CG 3.25Å; P377-L381 PolarHBondContact O-N 3.4Å |
| 378 | Q | 92.8 | Very high | 79 | Confident | 118 Ų | 118 | 75.4 Ų | 75.4 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.2 | -40.5 | 176.9 | -65.1 | 174.8 | -31.5 | 0 | 0 | 111.9 | N376 L380 L381 I382 L476 | N376-Q378 VanDerWaalsContact C-N 3.25Å; N376-Q378 PolarHBondContact O-N 3.27Å; N376-Q378 PolarHBondContact OD1-N 3.06Å; Q378-L380 VanDerWaalsContact C-N 3.3Å; Q378-L380 PolarHBondContact O-N 2.79Å; Q378-L381 PolarHBondContact O-N 3.26Å; Q378-I382 WeakPolarHBondContact O-CD1 3.32Å; Q378-I382 VanDerWaalsContact O-CG1 3.32Å; Q378-I382 WeakPolarHBondContact O-CG1 3.35Å; Q378-I382 PolarHBondContact O-N 3.11Å; Q378-L476 HydrophobicContact CB-CD2 4.34Å |
| 379 | H | 94.4 | Very high | 81.4 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 18% | 0.181 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 176.8 | -61.5 | -174.2 | 0 | 0 | 0 | 111.2 | N376 P377 L383 T416 L418 | N376-H379 HydrophobicContact CB-CB 4.16Å; N376-H379 PolarHBondContact ND2-CD2 3.26Å; N376-H379 PolarHBondContact ND2-NE2 3.37Å; N376-H379 WeakPolarHBondContact O-CB 3.47Å; N376-H379 PolarHBondContact O-N 3.35Å; P377-H379 VanDerWaalsContact C-N 3.3Å; P377-H379 PolarHBondContact O-N 3.33Å; H379-L383 VanDerWaalsContact O-CB 3.3Å; H379-L383 WeakPolarHBondContact O-CB 3.41Å; H379-L383 WeakPolarHBondContact O-CD1 3.27Å; H379-L383 WeakPolarHBondContact O-CG 3.43Å; H379-L383 PolarHBondContact O-N 3.05Å; H379-T416 HydrophobicContact CB-CG2 4.38Å; H379-T416 PolarHBondContact CE1-O 2.87Å; H379-L418 HydrophobicContact CB-CD1 4.07Å |
| 380 | L | 94.5 | Very high | 83.5 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 172.1 | -68.6 | 176.5 | 0 | 0 | 0 | 112.1 | W375 N376 P377 Q378 L383 Q384 | W375-L380 HydrophobicContact CB-CD1 3.79Å; W375-L380 HydrophobicContact CB-CD2 3.91Å; W375-L380 HydrophobicContact CB-CG 3.76Å; W375-L380 HydrophobicContact CD2-CD2 4.08Å; W375-L380 HydrophobicContact CE3-CD2 4.17Å; W375-L380 HydrophobicContact CG-CD2 3.99Å; W375-L380 HydrophobicContact CG-CG 4.39Å; N376-L380 PolarHBondContact O-N 3.38Å; N376-L380 VanDerWaalsContact O-N 3.11Å; P377-L380 CarbonylContact O-C 3.6Å; P377-L380 WeakPolarHBondContact O-CA 3.38Å; P377-L380 WeakPolarHBondContact O-CB 3.41Å; P377-L380 PolarHBondContact O-N 3.29Å; Q378-L380 VanDerWaalsContact C-N 3.3Å; Q378-L380 PolarHBondContact O-N 2.79Å; L380-L383 PolarHBondContact O-N 3.18Å; L380-Q384 VanDerWaalsContact C-NE2 3.33Å; L380-Q384 VanDerWaalsContact O-CB 3.32Å; L380-Q384 WeakPolarHBondContact O-CB 3.26Å; L380-Q384 WeakPolarHBondContact O-CG 3.31Å; L380-Q384 PolarHBondContact O-N 2.93Å; L380-Q384 PolarHBondContact O-NE2 3.15Å |
| 381 | L | 94.9 | Very high | 86 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 175.8 | -57.1 | -167.6 | 0 | 0 | 0 | 110.8 | P377 Q378 L383 Q384 A385 L472 H475 L476 | P377-L381 WeakPolarHBondContact O-CG 3.25Å; P377-L381 PolarHBondContact O-N 3.4Å; Q378-L381 PolarHBondContact O-N 3.26Å; L381-L383 PolarHBondContact O-N 2.86Å; L381-Q384 PolarHBondContact O-N 3.32Å; L381-A385 WeakPolarHBondContact O-CB 3.45Å; L381-A385 PolarHBondContact O-N 2.88Å; L381-L472 HydrophobicContact CD2-CD2 4.03Å; L381-H475 HydrophobicContact CD1-CB 3.63Å; L381-L476 HydrophobicContact CB-CD1 4.31Å; L381-L476 HydrophobicContact CB-CD2 4.15Å; L381-L476 HydrophobicContact CB-CG 4.24Å |
| 382 | I | 95.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 175 | -68.8 | 160.3 | 0 | 0 | 0 | 111.1 | Q378 Q384 A385 Q386 F415 T416 L476 F478 M480 M483 | Q378-I382 WeakPolarHBondContact O-CD1 3.32Å; Q378-I382 VanDerWaalsContact O-CG1 3.32Å; Q378-I382 WeakPolarHBondContact O-CG1 3.35Å; Q378-I382 PolarHBondContact O-N 3.11Å; I382-Q384 PolarHBondContact O-N 2.81Å; I382-A385 PolarHBondContact O-N 2.95Å; I382-Q386 WeakPolarHBondContact O-CB 3.43Å; I382-Q386 VanDerWaalsContact O-CG 3.31Å; I382-Q386 WeakPolarHBondContact O-CG 3.43Å; I382-Q386 PolarHBondContact O-N 3.2Å; I382-F415 HydrophobicContact CD1-CD1 3.85Å; I382-F415 HydrophobicContact CD1-CE1 3.62Å; I382-T416 HydrophobicContact CB-CG2 4.46Å; I382-T416 HydrophobicContact CD1-CG2 3.98Å; I382-T416 HydrophobicContact CG2-CG2 3.97Å; I382-L476 HydrophobicContact CD1-CD2 4.27Å; I382-L476 HydrophobicContact CG1-CD1 3.81Å; I382-L476 HydrophobicContact CG1-CD2 3.93Å; I382-F478 HydrophobicContact CD1-CZ 4.28Å; I382-F478 HydrophobicContact CG1-CZ 4.32Å; I382-M480 HydrophobicContact CG2-CE 4.18Å; I382-M483 HydrophobicContact CG2-SD 3.93Å |
| 383 | L | 95.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.3 | -77 | 166.6 | 0 | 0 | 0 | 112.5 | W375 H379 L380 L381 F387 I412 L418 I423 W426 | W375-L383 HydrophobicContact CE3-CD1 4.32Å; W375-L383 HydrophobicContact CZ3-CD1 3.88Å; H379-L383 VanDerWaalsContact O-CB 3.3Å; H379-L383 WeakPolarHBondContact O-CB 3.41Å; H379-L383 WeakPolarHBondContact O-CD1 3.27Å; H379-L383 WeakPolarHBondContact O-CG 3.43Å; H379-L383 PolarHBondContact O-N 3.05Å; L380-L383 PolarHBondContact O-N 3.18Å; L381-L383 PolarHBondContact O-N 2.86Å; L383-F387 VanDerWaalsContact O-CB 3.23Å; L383-F387 WeakPolarHBondContact O-CB 3.47Å; L383-F387 PolarHBondContact O-N 3.5Å; L383-I412 HydrophobicContact CD2-CG2 3.93Å; L383-L418 HydrophobicContact CD1-CD1 4.03Å; L383-I423 HydrophobicContact CD2-CG1 4.45Å; L383-I423 HydrophobicContact CD2-CG2 4.03Å; L383-W426 HydrophobicContact CB-CD2 4.22Å; L383-W426 HydrophobicContact CB-CE3 4.05Å; L383-W426 HydrophobicContact CB-CH2 3.68Å; L383-W426 HydrophobicContact CB-CZ2 3.84Å; L383-W426 HydrophobicContact CB-CZ3 3.78Å; L383-W426 HydrophobicContact CD1-CD2 4Å; L383-W426 HydrophobicContact CD1-CE3 4.4Å; L383-W426 HydrophobicContact CD1-CG 4.12Å; L383-W426 HydrophobicContact CD2-CD2 4.44Å; L383-W426 HydrophobicContact CD2-CE3 4.04Å; L383-W426 HydrophobicContact CD2-CZ3 4.37Å; L383-W426 HydrophobicContact CG-CD2 4.47Å; L383-W426 HydrophobicContact CG-CE3 4.41Å |
| 384 | Q | 95.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 46.2 Ų | 46.2 | 7% | 0.065 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -42.2 | 176.4 | -76.3 | 168.4 | 84.5 | 0 | 0 | 112.5 | L380 L381 I382 F387 A388 W426 F442 Y468 L472 | L380-Q384 VanDerWaalsContact C-NE2 3.33Å; L380-Q384 VanDerWaalsContact O-CB 3.32Å; L380-Q384 WeakPolarHBondContact O-CB 3.26Å; L380-Q384 WeakPolarHBondContact O-CG 3.31Å; L380-Q384 PolarHBondContact O-N 2.93Å; L380-Q384 PolarHBondContact O-NE2 3.15Å; L381-Q384 PolarHBondContact O-N 3.32Å; I382-Q384 PolarHBondContact O-N 2.81Å; Q384-F387 PolarHBondContact O-N 3.31Å; Q384-A388 WeakPolarHBondContact O-CB 3.35Å; Q384-A388 PolarHBondContact O-N 3.47Å; Q384-W426 HydrophobicContact CG-CH2 4.28Å; Q384-W426 HydrophobicContact CG-CZ2 4.19Å; Q384-F442 HydrophobicContact CB-CD2 4.33Å; Q384-F442 HydrophobicContact CB-CE2 4.35Å; Q384-F442 HydrophobicContact CG-CB 4.46Å; Q384-F442 HydrophobicContact CG-CD1 3.77Å; Q384-F442 HydrophobicContact CG-CD2 3.87Å; Q384-F442 HydrophobicContact CG-CE1 3.88Å; Q384-F442 HydrophobicContact CG-CE2 3.98Å; Q384-F442 HydrophobicContact CG-CG 3.78Å; Q384-F442 HydrophobicContact CG-CZ 3.99Å; Q384-Y468 HydrophobicContact CB-CE1 4.5Å; Q384-Y468 PolarHBondContact OE1-OH 3Å; Q384-Y468 VanDerWaalsContact OE1-OH 3.05Å; Q384-L472 HydrophobicContact CB-CD1 3.96Å |
| 385 | A | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L381 I382 A388 S389 L472 M480 | L381-A385 WeakPolarHBondContact O-CB 3.45Å; L381-A385 PolarHBondContact O-N 2.88Å; I382-A385 PolarHBondContact O-N 2.95Å; A385-A388 PolarHBondContact O-N 3.33Å; A385-S389 WeakPolarHBondContact O-CB 3.46Å; A385-S389 PolarHBondContact O-N 3.07Å; A385-L472 HydrophobicContact CB-CB 4.29Å; A385-L472 HydrophobicContact CB-CD1 3.8Å; A385-M480 HydrophobicContact CB-CE 3.83Å; A385-M480 HydrophobicContact CB-CG 3.87Å; A385-M480 HydrophobicContact CB-SD 3.73Å |
| 386 | Q | 94.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 174.5 | -68.4 | -67.9 | -7.7 | 0 | 0 | 112 | I382 S389 S390 L404 I412 M480 M483 | I382-Q386 WeakPolarHBondContact O-CB 3.43Å; I382-Q386 VanDerWaalsContact O-CG 3.31Å; I382-Q386 WeakPolarHBondContact O-CG 3.43Å; I382-Q386 PolarHBondContact O-N 3.2Å; Q386-S389 PolarHBondContact O-N 2.91Å; Q386-S390 PolarHBondContact O-N 3.35Å; Q386-S390 VanDerWaalsContact O-N 3.09Å; Q386-L404 HydrophobicContact CB-CD2 4.19Å; Q386-I412 HydrophobicContact CB-CD1 3.78Å; Q386-I412 HydrophobicContact CB-CG1 4.45Å; Q386-I412 HydrophobicContact CG-CD1 3.81Å; Q386-I412 HydrophobicContact CG-CG1 3.92Å; Q386-M480 HydrophobicContact CG-CE 3.69Å; Q386-M483 VanDerWaalsContact NE2-CE 3.28Å |
| 387 | F | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 172.7 | -176.1 | -89.1 | 0 | 0 | 0 | 111.8 | L383 Q384 S389 S390 L391 L401 W426 L427 V430 K431 L434 F442 L443 | L383-F387 VanDerWaalsContact O-CB 3.23Å; L383-F387 WeakPolarHBondContact O-CB 3.47Å; L383-F387 PolarHBondContact O-N 3.5Å; Q384-F387 PolarHBondContact O-N 3.31Å; F387-S389 VanDerWaalsContact C-N 3.32Å; F387-S389 PolarHBondContact O-N 3.03Å; F387-S390 PolarHBondContact O-N 3.19Å; F387-S390 PolarHBondContact O-OG 3.44Å; F387-L391 HydrophobicContact CE1-CD1 4.43Å; F387-L391 HydrophobicContact CE1-CD2 4.12Å; F387-L391 HydrophobicContact CE1-CG 4.48Å; F387-L391 HydrophobicContact CZ-CD2 4.38Å; F387-L401 HydrophobicContact CZ-CD2 4.41Å; F387-L401 HydrophobicContact CZ-CG 4.18Å; F387-W426 HydrophobicContact CB-CH2 4.32Å; F387-W426 HydrophobicContact CB-CZ3 4.22Å; F387-L427 HydrophobicContact CD2-CD2 3.9Å; F387-V430 HydrophobicContact CD1-CG1 4.43Å; F387-V430 HydrophobicContact CD2-CG1 3.99Å; F387-V430 HydrophobicContact CE1-CG1 4.14Å; F387-V430 HydrophobicContact CE2-CG1 3.65Å; F387-V430 HydrophobicContact CG-CG1 4.37Å; F387-V430 HydrophobicContact CZ-CG1 3.73Å; F387-K431 HydrophobicContact CE2-CG 4.38Å; F387-L434 HydrophobicContact CE1-CD1 3.97Å; F387-L434 HydrophobicContact CZ-CD1 3.54Å; F387-F442 AromaticContact CD1-CE2 3.96Å; F387-F442 HydrophobicContact CD1-CE2 3.96Å; F387-F442 AromaticContact CD1-CZ 3.98Å; F387-F442 HydrophobicContact CD1-CZ 3.98Å; F387-F442 HydrophobicContact CG-CZ 4.39Å; F387-L443 HydrophobicContact CD1-CD2 4.45Å; F387-L443 HydrophobicContact CE1-CD2 3.7Å |
| 388 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q384 A385 S390 L391 F453 P465 Y468 I469 | Q384-A388 WeakPolarHBondContact O-CB 3.35Å; Q384-A388 PolarHBondContact O-N 3.47Å; A385-A388 PolarHBondContact O-N 3.33Å; A388-S390 PolarHBondContact O-N 2.99Å; A388-L391 WeakPolarHBondContact O-CB 3.29Å; A388-L391 PolarHBondContact O-N 3.44Å; A388-L391 VanDerWaalsContact O-N 3.16Å; A388-F453 HydrophobicContact CB-CD1 4.43Å; A388-F453 HydrophobicContact CB-CE1 3.84Å; A388-F453 HydrophobicContact CB-CZ 4.45Å; A388-P465 HydrophobicContact CB-CB 4.43Å; A388-Y468 HydrophobicContact CB-CD1 4Å; A388-Y468 HydrophobicContact CB-CE1 4.49Å; A388-I469 HydrophobicContact CB-CD1 4.2Å; A388-I469 HydrophobicContact CB-CG1 4.01Å |
| 389 | S | 93.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.2 | -23.2 | 177.5 | -164.6 | 0 | 0 | 0 | 0 | 113.3 | A385 Q386 F387 L391 | A385-S389 WeakPolarHBondContact O-CB 3.46Å; A385-S389 PolarHBondContact O-N 3.07Å; Q386-S389 PolarHBondContact O-N 2.91Å; F387-S389 VanDerWaalsContact C-N 3.32Å; F387-S389 PolarHBondContact O-N 3.03Å; S389-L391 VanDerWaalsContact C-N 3.34Å |
| 390 | S | 92.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.1 | 174.9 | 77.5 | 0 | 0 | 0 | 0 | 113.9 | Q386 F387 A388 F392 S402 L404 | Q386-S390 PolarHBondContact O-N 3.35Å; Q386-S390 VanDerWaalsContact O-N 3.09Å; F387-S390 PolarHBondContact O-N 3.19Å; F387-S390 PolarHBondContact O-OG 3.44Å; A388-S390 PolarHBondContact O-N 2.99Å; S390-F392 PolarHBondContact O-N 3.49Å; S390-S402 WeakPolarHBondContact O-CB 3.21Å; S390-S402 PolarHBondContact O-OG 2.85Å; S390-L404 VanDerWaalsContact CB-CD1 3.46Å; S390-L404 VanDerWaalsContact OG-CD1 3.25Å; S390-L404 WeakPolarHBondContact OG-CD1 3.49Å |
| 391 | L | 91.8 | Very high | 92.1 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 108.9 | -179.7 | -62.5 | 174.3 | 0 | 0 | 0 | 110 | F387 A388 S389 Y399 L400 L401 L443 M446 F453 | F387-L391 HydrophobicContact CE1-CD1 4.43Å; F387-L391 HydrophobicContact CE1-CD2 4.12Å; F387-L391 HydrophobicContact CE1-CG 4.48Å; F387-L391 HydrophobicContact CZ-CD2 4.38Å; A388-L391 WeakPolarHBondContact O-CB 3.29Å; A388-L391 PolarHBondContact O-N 3.44Å; A388-L391 VanDerWaalsContact O-N 3.16Å; S389-L391 VanDerWaalsContact C-N 3.34Å; L391-Y399 HydrophobicContact CB-CD1 4.27Å; L391-L400 WeakPolarHBondContact CA-O 3.18Å; L391-L401 HydrophobicContact CD2-CD1 3.92Å; L391-L401 HydrophobicContact CD2-CG 4.17Å; L391-L443 HydrophobicContact CD1-CD2 4.25Å; L391-M446 HydrophobicContact CD1-CE 4.26Å; L391-M446 HydrophobicContact CD2-CE 4.3Å; L391-F453 HydrophobicContact CD1-CE1 3.79Å; L391-F453 HydrophobicContact CD1-CZ 3.63Å |
| 392 | F | 88.8 | Confident | 91.7 | Very high | 101 Ų | 101 | 45.9 Ų | 45.9 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 147.3 | 177.4 | 80.7 | -82.8 | 0 | 0 | 0 | 111.1 | S390 T394 Y399 L400 S402 | S390-F392 PolarHBondContact O-N 3.49Å; F392-T394 HydrophobicContact CE2-CG2 4.15Å; F392-Y399 WeakPolarHBondContact O-CA 3.47Å; F392-L400 HydrophobicContact CD1-CB 4Å; F392-L400 HydrophobicContact CE1-CB 3.48Å; F392-L400 VanDerWaalsContact CE1-CB 3.48Å; F392-L400 HydrophobicContact CE1-CD1 4.26Å; F392-L400 HydrophobicContact CE1-CG 4.5Å; F392-L400 HydrophobicContact CE2-CB 4.45Å; F392-L400 HydrophobicContact CE2-CD1 4.21Å; F392-L400 HydrophobicContact CZ-CB 3.75Å; F392-L400 HydrophobicContact CZ-CD1 3.66Å; F392-L400 HydrophobicContact CZ-CG 4.3Å; F392-L400 PolarHBondContact N-O 3.14Å; F392-L400 PolarHBondContact O-N 2.92Å; F392-S402 WeakPolarHBondContact CD1-OG 3.25Å |
| 393 | Q | 92.2 | Very high | 91.2 | Very high | 106 Ų | 106 | 50.7 Ų | 50.7 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134.7 | 174.9 | -158.9 | 171.1 | 13.9 | 0 | 0 | 109.5 | G397 K398 Y399 | Q393-G397 WeakPolarHBondContact CG-O 3.4Å; Q393-G397 PolarHBondContact NE2-O 3.49Å; Q393-K398 CarbonylContact C-O 3.57Å; Q393-K398 WeakPolarHBondContact CA-O 3.33Å; Q393-Y399 HydrophobicContact CB-CD1 4Å; Q393-Y399 HydrophobicContact CB-CE1 3.67Å; Q393-Y399 HydrophobicContact CG-CD1 4.3Å; Q393-Y399 HydrophobicContact CG-CD2 4.47Å; Q393-Y399 HydrophobicContact CG-CE1 3.95Å; Q393-Y399 HydrophobicContact CG-CE2 4.18Å; Q393-Y399 PolarHBondContact OE1-OH 3Å |
| 394 | T | 90.4 | Very high | 90.9 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 23% | 0.233 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 167.2 | 172.3 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | F392 E396 G397 K398 L400 | F392-T394 HydrophobicContact CE2-CG2 4.15Å; T394-E396 PolarHBondContact O-N 3.19Å; T394-E396 VanDerWaalsContact O-N 3.15Å; T394-E396 PolarHBondContact OG1-N 3.26Å; T394-G397 PolarHBondContact O-N 2.65Å; T394-K398 PolarHBondContact N-O 3.14Å; T394-K398 PolarHBondContact OG1-O 3.45Å; T394-L400 HydrophobicContact CG2-CD1 3.55Å; T394-L400 HydrophobicContact CG2-CG 3.99Å |
| 395 | S | 89.3 | Confident | 90.6 | Very high | 141 Ų | 141 | 51 Ų | 51 | 99% | 0.986 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.3 | 170.5 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | G397 | S395-G397 VanDerWaalsContact C-N 3.26Å; S395-G397 PolarHBondContact O-N 3.43Å |
| 396 | E | 86.9 | Confident | 90.4 | Very high | 131 Ų | 131 | 55.8 Ų | 55.8 | 61% | 0.612 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3.4 | 173.7 | -149 | -164.5 | 161.3 | 0 | 0 | 112.8 | T394 K398 | T394-E396 PolarHBondContact O-N 3.19Å; T394-E396 VanDerWaalsContact O-N 3.15Å; T394-E396 PolarHBondContact OG1-N 3.26Å; E396-K398 PolarHBondContact O-N 3.19Å; E396-K398 WeakPolarHBondContact OE1-CE 3.39Å; E396-K398 IonicContact OE1-NZ 3.11Å; E396-K398 PolarHBondContact OE1-NZ 2.96Å; E396-K398 WeakPolarHBondContact OE2-CD 3.42Å; E396-K398 VanDerWaalsContact OE2-CE 3.22Å; E396-K398 WeakPolarHBondContact OE2-CE 3.32Å; E396-K398 IonicContact OE2-NZ 3.94Å; E396-K398 PolarHBondContact OE2-NZ 2.82Å |
| 397 | G | 86.1 | Confident | 90.3 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 77.5 | -8.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q393 T394 S395 | Q393-G397 WeakPolarHBondContact CG-O 3.4Å; Q393-G397 PolarHBondContact NE2-O 3.49Å; T394-G397 PolarHBondContact O-N 2.65Å; S395-G397 VanDerWaalsContact C-N 3.26Å; S395-G397 PolarHBondContact O-N 3.43Å |
| 398 | K | 89.9 | Confident | 90.1 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | trans | -72.2 | 146.2 | 176.1 | -65.2 | 176.3 | -172.8 | 155.3 | 0 | 111.2 | Q393 T394 E396 G449 | Q393-K398 CarbonylContact C-O 3.57Å; Q393-K398 WeakPolarHBondContact CA-O 3.33Å; T394-K398 PolarHBondContact N-O 3.14Å; T394-K398 PolarHBondContact OG1-O 3.45Å; E396-K398 PolarHBondContact O-N 3.19Å; E396-K398 WeakPolarHBondContact OE1-CE 3.39Å; E396-K398 IonicContact OE1-NZ 3.11Å; E396-K398 PolarHBondContact OE1-NZ 2.96Å; E396-K398 WeakPolarHBondContact OE2-CD 3.42Å; E396-K398 VanDerWaalsContact OE2-CE 3.22Å; E396-K398 WeakPolarHBondContact OE2-CE 3.32Å; E396-K398 IonicContact OE2-NZ 3.94Å; E396-K398 PolarHBondContact OE2-NZ 2.82Å; K398-G449 CarbonylContact C-O 3.58Å; K398-G449 WeakPolarHBondContact CA-O 3.02Å | ||
| 399 | Y | 91.5 | Very high | 90.1 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 144.2 | 171.9 | -69.7 | -88.7 | 0 | 0 | 0 | 112.1 | L391 F392 Q393 G449 P451 P465 | L391-Y399 HydrophobicContact CB-CD1 4.27Å; F392-Y399 WeakPolarHBondContact O-CA 3.47Å; Q393-Y399 HydrophobicContact CB-CD1 4Å; Q393-Y399 HydrophobicContact CB-CE1 3.67Å; Q393-Y399 HydrophobicContact CG-CD1 4.3Å; Q393-Y399 HydrophobicContact CG-CD2 4.47Å; Q393-Y399 HydrophobicContact CG-CE1 3.95Å; Q393-Y399 HydrophobicContact CG-CE2 4.18Å; Q393-Y399 PolarHBondContact OE1-OH 3Å; Y399-G449 PolarHBondContact N-O 3.36Å; Y399-P451 HydrophobicContact CD2-CG 3.55Å; Y399-P451 HydrophobicContact CE2-CG 4.28Å; Y399-P451 HydrophobicContact CG-CG 3.85Å; Y399-P465 HydrophobicContact CD1-CG 3.94Å; Y399-P465 HydrophobicContact CE1-CG 3.54Å; Y399-P465 VanDerWaalsContact CZ-CD 3.47Å; Y399-P465 WeakPolarHBondContact OH-CD 3.37Å |
| 400 | L | 90.4 | Very high | 90.1 | Very high | 83 Ų | 83 | 67.7 Ų | 67.7 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 157.5 | 176.1 | -68.2 | 177.6 | 0 | 0 | 0 | 111.1 | L391 F392 T394 S402 | L391-L400 WeakPolarHBondContact CA-O 3.18Å; F392-L400 HydrophobicContact CD1-CB 4Å; F392-L400 HydrophobicContact CE1-CB 3.48Å; F392-L400 VanDerWaalsContact CE1-CB 3.48Å; F392-L400 HydrophobicContact CE1-CD1 4.26Å; F392-L400 HydrophobicContact CE1-CG 4.5Å; F392-L400 HydrophobicContact CE2-CB 4.45Å; F392-L400 HydrophobicContact CE2-CD1 4.21Å; F392-L400 HydrophobicContact CZ-CB 3.75Å; F392-L400 HydrophobicContact CZ-CD1 3.66Å; F392-L400 HydrophobicContact CZ-CG 4.3Å; F392-L400 PolarHBondContact N-O 3.14Å; F392-L400 PolarHBondContact O-N 2.92Å; T394-L400 HydrophobicContact CG2-CD1 3.55Å; T394-L400 HydrophobicContact CG2-CG 3.99Å; L400-S402 PolarHBondContact O-N 2.95Å |
| 401 | L | 90 | Very high | 90.1 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 118.7 | 174.9 | -90.2 | 64.1 | 0 | 0 | 0 | 110.7 | F387 L391 K431 L434 M446 | F387-L401 HydrophobicContact CZ-CD2 4.41Å; F387-L401 HydrophobicContact CZ-CG 4.18Å; L391-L401 HydrophobicContact CD2-CD1 3.92Å; L391-L401 HydrophobicContact CD2-CG 4.17Å; L401-K431 HydrophobicContact CD2-CG 3.96Å; L401-L434 HydrophobicContact CD1-CD1 4.36Å; L401-L434 HydrophobicContact CD2-CD1 4.15Å; L401-M446 HydrophobicContact CD1-CE 4.42Å; L401-M446 HydrophobicContact CD1-CG 3.47Å; L401-M446 VanDerWaalsContact CD1-CG 3.47Å; L401-M446 HydrophobicContact CD1-SD 3.47Å; L401-M446 WeakPolarHBondContact CD1-SD 3.3Å |
| 402 | S | 87.9 | Confident | 90.2 | Very high | 40 Ų | 40 | 69 Ų | 69 | 28% | 0.28 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 164.5 | 155 | -48.1 | 0 | 0 | 0 | 0 | 111 | S390 F392 L400 | S390-S402 WeakPolarHBondContact O-CB 3.21Å; S390-S402 PolarHBondContact O-OG 2.85Å; F392-S402 WeakPolarHBondContact CD1-OG 3.25Å; L400-S402 PolarHBondContact O-N 2.95Å |
| 403 | D | 85.1 | Confident | 90.5 | Very high | 105 Ų | 105 | 65.5 Ų | 65.5 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 116.5 | 165.7 | -105.7 | 63.2 | 0 | 0 | 0 | 110.2 | G405 R409 K431 | D403-G405 PolarHBondContact O-N 3.27Å; D403-R409 IonicContact OD2-NH2 3.95Å; D403-K431 IonicContact OD1-NZ 2.84Å; D403-K431 PolarHBondContact OD1-NZ 3.34Å; D403-K431 IonicContact OD2-NZ 2.63Å; D403-K431 PolarHBondContact OD2-NZ 2.85Å |
| 404 | L | 88.9 | Confident | 90.5 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 126.5 | 172.6 | -92.3 | 81.1 | 0 | 0 | 0 | 109.8 | Q386 S390 E408 R409 I412 L427 | Q386-L404 HydrophobicContact CB-CD2 4.19Å; S390-L404 VanDerWaalsContact CB-CD1 3.46Å; S390-L404 VanDerWaalsContact OG-CD1 3.25Å; S390-L404 WeakPolarHBondContact OG-CD1 3.49Å; L404-E408 WeakPolarHBondContact CA-OE2 3.27Å; L404-E408 HydrophobicContact CD2-CB 4.42Å; L404-R409 HydrophobicContact CB-CG 4.25Å; L404-R409 PolarHBondContact O-NE 3.32Å; L404-R409 PolarHBondContact O-NH2 3.3Å; L404-I412 HydrophobicContact CD2-CD1 3.75Å; L404-L427 HydrophobicContact CB-CD1 4.08Å; L404-L427 HydrophobicContact CD1-CD2 3.99Å; L404-L427 HydrophobicContact CD2-CD1 4.29Å; L404-L427 HydrophobicContact CD2-CD2 4.37Å |
| 405 | G | 89 | Confident | 90.6 | Very high | 22 Ų | 22 | 65.9 Ų | 65.9 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 159.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D403 Q407 E408 R409 | D403-G405 PolarHBondContact O-N 3.27Å; G405-Q407 PolarHBondContact O-N 3.02Å; G405-E408 PolarHBondContact N-OE2 3.5Å; G405-E408 PolarHBondContact O-N 2.83Å; G405-R409 WeakPolarHBondContact O-CG 3.23Å; G405-R409 PolarHBondContact O-N 3.43Å; G405-R409 VanDerWaalsContact O-N 3.09Å |
| 406 | P | 91.8 | Very high | 90.8 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 66% | 0.656 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -55.3 | -33.9 | 173.4 | -25.7 | 35.2 | 0 | 0 | 0 | 113 | M410 M420 | P406-M410 WeakPolarHBondContact O-CB 3.42Å; P406-M410 PolarHBondContact O-N 2.93Å; P406-M420 WeakPolarHBondContact O-CE 3.38Å |
| 407 | Q | 91.5 | Very high | 91 | Very high | 132 Ų | 132 | 56.8 Ų | 56.8 | 62% | 0.617 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67 | -44.5 | 178.1 | -176 | 174.2 | -3.2 | 0 | 0 | 112.8 | G405 M410 Q411 | G405-Q407 PolarHBondContact O-N 3.02Å; Q407-M410 WeakPolarHBondContact O-CB 3.37Å; Q407-M410 PolarHBondContact O-N 3.22Å; Q407-Q411 WeakPolarHBondContact O-CG 3.43Å; Q407-Q411 PolarHBondContact O-N 2.84Å |
| 408 | E | 91.2 | Very high | 91.4 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 33% | 0.327 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.8 | -60.5 | 171 | 139.3 | 0 | 0 | 110.6 | L404 G405 M410 Q411 I412 | L404-E408 WeakPolarHBondContact CA-OE2 3.27Å; L404-E408 HydrophobicContact CD2-CB 4.42Å; G405-E408 PolarHBondContact N-OE2 3.5Å; G405-E408 PolarHBondContact O-N 2.83Å; E408-M410 PolarHBondContact O-N 3.34Å; E408-Q411 PolarHBondContact O-N 3.43Å; E408-Q411 VanDerWaalsContact O-N 3.15Å; E408-I412 VanDerWaalsContact O-CG1 3.32Å; E408-I412 WeakPolarHBondContact O-CG1 3.34Å; E408-I412 PolarHBondContact O-N 2.8Å |
| 409 | R | 94.3 | Very high | 91.6 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 172.7 | -62.9 | 180 | -146.9 | -173.7 | 7 | 111.3 | D403 L404 G405 I412 S413 M420 I423 S424 L427 | D403-R409 IonicContact OD2-NH2 3.95Å; L404-R409 HydrophobicContact CB-CG 4.25Å; L404-R409 PolarHBondContact O-NE 3.32Å; L404-R409 PolarHBondContact O-NH2 3.3Å; G405-R409 WeakPolarHBondContact O-CG 3.23Å; G405-R409 PolarHBondContact O-N 3.43Å; G405-R409 VanDerWaalsContact O-N 3.09Å; R409-I412 PolarHBondContact O-N 2.88Å; R409-S413 VanDerWaalsContact O-CB 3.28Å; R409-S413 WeakPolarHBondContact O-CB 3.46Å; R409-S413 PolarHBondContact O-N 2.92Å; R409-M420 HydrophobicContact CB-CE 3.74Å; R409-M420 HydrophobicContact CB-SD 3.73Å; R409-I423 HydrophobicContact CB-CG2 4.28Å; R409-I423 HydrophobicContact CG-CG2 4.13Å; R409-I423 WeakPolarHBondContact O-CD1 3.37Å; R409-S424 PolarHBondContact NH1-OG 3.02Å; R409-S424 VanDerWaalsContact NH1-OG 3.1Å; R409-L427 HydrophobicContact CG-CD1 4.06Å |
| 410 | M | 93.6 | Very high | 91.8 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 175.6 | 178.4 | 175.7 | 59.6 | 0 | 0 | 112.5 | P406 Q407 E408 S413 K414 M420 | P406-M410 WeakPolarHBondContact O-CB 3.42Å; P406-M410 PolarHBondContact O-N 2.93Å; Q407-M410 WeakPolarHBondContact O-CB 3.37Å; Q407-M410 PolarHBondContact O-N 3.22Å; E408-M410 PolarHBondContact O-N 3.34Å; M410-S413 WeakPolarHBondContact O-CB 3.36Å; M410-S413 PolarHBondContact O-N 3.5Å; M410-K414 WeakPolarHBondContact O-CG 3.45Å; M410-K414 PolarHBondContact O-N 3.39Å; M410-M420 VanDerWaalsContact CA-SD 3.6Å; M410-M420 HydrophobicContact CB-CE 4.42Å; M410-M420 HydrophobicContact CB-SD 4.16Å; M410-M420 PolarHBondContact N-SD 3.03Å; M410-M420 VanDerWaalsContact N-SD 3.41Å |
| 411 | Q | 92.4 | Very high | 92 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 23% | 0.229 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 173.6 | -72.8 | 167.9 | -24.6 | 0 | 0 | 111.1 | Q407 E408 S413 K414 F415 M483 T484 | Q407-Q411 WeakPolarHBondContact O-CG 3.43Å; Q407-Q411 PolarHBondContact O-N 2.84Å; E408-Q411 PolarHBondContact O-N 3.43Å; E408-Q411 VanDerWaalsContact O-N 3.15Å; Q411-S413 VanDerWaalsContact C-N 3.31Å; Q411-S413 PolarHBondContact O-N 3.47Å; Q411-K414 PolarHBondContact O-N 3.24Å; Q411-F415 WeakPolarHBondContact O-CB 3.46Å; Q411-F415 PolarHBondContact O-N 3.16Å; Q411-M483 HydrophobicContact CB-CE 3.81Å; Q411-T484 PolarHBondContact NE2-OG1 3.04Å |
| 412 | I | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 173.7 | -62.7 | 163.7 | 0 | 0 | 0 | 110.4 | L383 Q386 L404 E408 R409 F415 T416 I423 M483 | L383-I412 HydrophobicContact CD2-CG2 3.93Å; Q386-I412 HydrophobicContact CB-CD1 3.78Å; Q386-I412 HydrophobicContact CB-CG1 4.45Å; Q386-I412 HydrophobicContact CG-CD1 3.81Å; Q386-I412 HydrophobicContact CG-CG1 3.92Å; L404-I412 HydrophobicContact CD2-CD1 3.75Å; E408-I412 VanDerWaalsContact O-CG1 3.32Å; E408-I412 WeakPolarHBondContact O-CG1 3.34Å; E408-I412 PolarHBondContact O-N 2.8Å; R409-I412 PolarHBondContact O-N 2.88Å; I412-F415 PolarHBondContact O-N 3.34Å; I412-T416 HydrophobicContact CG2-CG2 4.19Å; I412-T416 WeakPolarHBondContact O-CB 3.46Å; I412-T416 PolarHBondContact O-N 3.28Å; I412-T416 PolarHBondContact O-OG1 2.93Å; I412-I423 HydrophobicContact CB-CD1 4.06Å; I412-I423 HydrophobicContact CG2-CD1 3.73Å; I412-I423 HydrophobicContact CG2-CG1 4.15Å; I412-M483 HydrophobicContact CG1-CE 4.12Å |
| 413 | S | 94.5 | Very high | 92.6 | Very high | 27 Ų | 27 | 56 Ų | 56 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 178.4 | -172 | 0 | 0 | 0 | 0 | 112.1 | R409 M410 Q411 F415 G417 L418 | R409-S413 VanDerWaalsContact O-CB 3.28Å; R409-S413 WeakPolarHBondContact O-CB 3.46Å; R409-S413 PolarHBondContact O-N 2.92Å; M410-S413 WeakPolarHBondContact O-CB 3.36Å; M410-S413 PolarHBondContact O-N 3.5Å; Q411-S413 VanDerWaalsContact C-N 3.31Å; Q411-S413 PolarHBondContact O-N 3.47Å; S413-F415 PolarHBondContact O-N 2.93Å; S413-G417 WeakPolarHBondContact O-CA 3.38Å; S413-G417 PolarHBondContact O-N 3.11Å; S413-L418 VanDerWaalsContact CA-O 3.31Å; S413-L418 WeakPolarHBondContact CA-O 3.44Å; S413-L418 VanDerWaalsContact CB-O 3.29Å; S413-L418 WeakPolarHBondContact CB-O 3.44Å; S413-L418 PolarHBondContact OG-O 2.84Å |
| 414 | K | 92.9 | Very high | 93 | Very high | 108 Ų | 108 | 52.5 Ų | 52.5 | 47% | 0.47 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 175.2 | -75.7 | -172.7 | 170.7 | -149 | 0 | 113 | M410 Q411 A487 | M410-K414 WeakPolarHBondContact O-CG 3.45Å; M410-K414 PolarHBondContact O-N 3.39Å; Q411-K414 PolarHBondContact O-N 3.24Å; K414-A487 HydrophobicContact CB-CB 4.43Å |
| 415 | F | 91.9 | Very high | 93.3 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 19% | 0.193 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79.7 | -38.7 | -176.1 | -170.7 | -85.9 | 0 | 0 | 0 | 113.3 | I382 Q411 I412 S413 F478 M483 M486 A487 | I382-F415 HydrophobicContact CD1-CD1 3.85Å; I382-F415 HydrophobicContact CD1-CE1 3.62Å; Q411-F415 WeakPolarHBondContact O-CB 3.46Å; Q411-F415 PolarHBondContact O-N 3.16Å; I412-F415 PolarHBondContact O-N 3.34Å; S413-F415 PolarHBondContact O-N 2.93Å; F415-F478 HydrophobicContact CE1-CE1 4.21Å; F415-F478 HydrophobicContact CE1-CE2 4.28Å; F415-F478 AromaticContact CE1-CZ 3.59Å; F415-F478 HydrophobicContact CE1-CZ 3.59Å; F415-F478 HydrophobicContact CE2-CE2 4.4Å; F415-F478 HydrophobicContact CE2-CZ 4.37Å; F415-F478 AromaticContact CZ-CE1 3.85Å; F415-F478 HydrophobicContact CZ-CE1 3.85Å; F415-F478 AromaticContact CZ-CE2 3.8Å; F415-F478 HydrophobicContact CZ-CE2 3.8Å; F415-F478 AromaticContact CZ-CZ 3.37Å; F415-F478 HydrophobicContact CZ-CZ 3.37Å; F415-M483 HydrophobicContact CB-CG 3.89Å; F415-M483 HydrophobicContact CB-SD 4.37Å; F415-M483 HydrophobicContact CD1-CG 4.05Å; F415-M483 HydrophobicContact CD2-CB 4.43Å; F415-M483 HydrophobicContact CD2-CG 3.51Å; F415-M483 WeakPolarHBondContact CD2-O 3.37Å; F415-M483 HydrophobicContact CE2-CG 4.02Å; F415-M483 HydrophobicContact CG-CG 3.53Å; F415-M483 HydrophobicContact CG-SD 4.36Å; F415-M483 HydrophobicContact CZ-CG 4.48Å; F415-M486 HydrophobicContact CE2-CB 3.88Å; F415-A487 HydrophobicContact CB-CB 4.42Å; F415-A487 HydrophobicContact CD2-CB 4.25Å |
| 416 | T | 92.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 59.2 Ų | 59.2 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -99.2 | -8.3 | -174.6 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | H379 I382 I412 L418 | H379-T416 HydrophobicContact CB-CG2 4.38Å; H379-T416 PolarHBondContact CE1-O 2.87Å; I382-T416 HydrophobicContact CB-CG2 4.46Å; I382-T416 HydrophobicContact CD1-CG2 3.98Å; I382-T416 HydrophobicContact CG2-CG2 3.97Å; I412-T416 HydrophobicContact CG2-CG2 4.19Å; I412-T416 WeakPolarHBondContact O-CB 3.46Å; I412-T416 PolarHBondContact O-N 3.28Å; I412-T416 PolarHBondContact O-OG1 2.93Å; T416-L418 PolarHBondContact O-N 3.2Å; T416-L418 VanDerWaalsContact O-N 3.08Å; T416-L418 WeakPolarHBondContact OG1-CB 3.17Å; T416-L418 WeakPolarHBondContact OG1-CG 3.35Å; T416-L418 PolarHBondContact OG1-N 3.44Å |
| 417 | G | 92.8 | Very high | 93.7 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 71% | 0.711 | 29% | 0.293 | S | S | * | . | trans | 66.6 | 1.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S413 | S413-G417 WeakPolarHBondContact O-CA 3.38Å; S413-G417 PolarHBondContact O-N 3.11Å | ||
| 418 | L | 93.9 | Very high | 93.8 | Very high | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | trans | -71.1 | 140.3 | 177 | -64 | 173.7 | 0 | 0 | 0 | 110.6 | W375 H379 L383 S413 T416 T422 I423 | W375-L418 HydrophobicContact CE3-CD1 4.5Å; W375-L418 HydrophobicContact CZ3-CD1 3.92Å; W375-L418 HydrophobicContact CZ3-CD2 4.3Å; H379-L418 HydrophobicContact CB-CD1 4.07Å; L383-L418 HydrophobicContact CD1-CD1 4.03Å; S413-L418 VanDerWaalsContact CA-O 3.31Å; S413-L418 WeakPolarHBondContact CA-O 3.44Å; S413-L418 VanDerWaalsContact CB-O 3.29Å; S413-L418 WeakPolarHBondContact CB-O 3.44Å; S413-L418 PolarHBondContact OG-O 2.84Å; T416-L418 PolarHBondContact O-N 3.2Å; T416-L418 VanDerWaalsContact O-N 3.08Å; T416-L418 WeakPolarHBondContact OG1-CB 3.17Å; T416-L418 WeakPolarHBondContact OG1-CG 3.35Å; T416-L418 PolarHBondContact OG1-N 3.44Å; L418-T422 HydrophobicContact CD2-CG2 4.15Å; L418-I423 HydrophobicContact CB-CD1 4.07Å; L418-I423 HydrophobicContact CB-CG1 3.87Å; L418-I423 HydrophobicContact CD1-CG1 4.4Å | ||
| 419 | S | 94.1 | Very high | 93.9 | Very high | 50 Ų | 50 | 52.4 Ų | 52.4 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | trans | -67.8 | 150 | 175.8 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | T421 T422 I423 | S419-T421 PolarHBondContact O-N 2.94Å; S419-T421 VanDerWaalsContact O-N 3.15Å; S419-T421 PolarHBondContact OG-OG1 3.46Å; S419-T422 WeakPolarHBondContact O-CA 3.33Å; S419-T422 WeakPolarHBondContact O-CB 3.18Å; S419-T422 PolarHBondContact O-N 3.19Å; S419-T422 WeakPolarHBondContact OG-CB 3.32Å; S419-T422 PolarHBondContact OG-N 3.38Å; S419-T422 PolarHBondContact OG-OG1 3.47Å; S419-I423 WeakPolarHBondContact O-CG1 3.23Å; S419-I423 PolarHBondContact O-N 2.9Å | ||
| 420 | M | 94.6 | Very high | 93.9 | Very high | 70 Ų | 70 | 50.3 Ų | 50.3 | 35% | 0.345 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -52.5 | -34.8 | 173.6 | -72.3 | -69.8 | -76.9 | 0 | 0 | 113.4 | P406 R409 M410 S424 | P406-M420 WeakPolarHBondContact O-CE 3.38Å; R409-M420 HydrophobicContact CB-CE 3.74Å; R409-M420 HydrophobicContact CB-SD 3.73Å; M410-M420 VanDerWaalsContact CA-SD 3.6Å; M410-M420 HydrophobicContact CB-CE 4.42Å; M410-M420 HydrophobicContact CB-SD 4.16Å; M410-M420 PolarHBondContact N-SD 3.03Å; M410-M420 VanDerWaalsContact N-SD 3.41Å; M420-S424 VanDerWaalsContact O-CB 3.26Å; M420-S424 WeakPolarHBondContact O-CB 3.44Å; M420-S424 PolarHBondContact O-N 2.88Å; M420-S424 PolarHBondContact O-OG 3.3Å |
| 421 | T | 94.8 | Very high | 93.8 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 53% | 0.534 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.9 | -43.3 | 174.8 | 48.8 | 0 | 0 | 0 | 0 | 112 | S419 I423 S424 H425 | S419-T421 PolarHBondContact O-N 2.94Å; S419-T421 VanDerWaalsContact O-N 3.15Å; S419-T421 PolarHBondContact OG-OG1 3.46Å; T421-I423 PolarHBondContact O-N 3.49Å; T421-S424 PolarHBondContact O-N 2.61Å; T421-H425 WeakPolarHBondContact O-CB 3.44Å; T421-H425 PolarHBondContact O-N 3.29Å |
| 422 | T | 95 | Very high | 93.9 | Very high | 51 Ų | 51 | 50 Ų | 50 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | W375 L418 S419 H425 W426 | W375-T422 HydrophobicContact CH2-CG2 3.45Å; W375-T422 VanDerWaalsContact CH2-CG2 3.45Å; W375-T422 HydrophobicContact CZ2-CG2 4.3Å; W375-T422 HydrophobicContact CZ3-CG2 3.9Å; L418-T422 HydrophobicContact CD2-CG2 4.15Å; S419-T422 WeakPolarHBondContact O-CA 3.33Å; S419-T422 WeakPolarHBondContact O-CB 3.18Å; S419-T422 PolarHBondContact O-N 3.19Å; S419-T422 WeakPolarHBondContact OG-CB 3.32Å; S419-T422 PolarHBondContact OG-N 3.38Å; S419-T422 PolarHBondContact OG-OG1 3.47Å; T422-H425 PolarHBondContact O-N 3.45Å; T422-W426 PolarHBondContact O-N 2.96Å |
| 423 | I | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.7 | -63.9 | 162.3 | 0 | 0 | 0 | 110.5 | L383 R409 I412 L418 S419 T421 H425 W426 L427 | L383-I423 HydrophobicContact CD2-CG1 4.45Å; L383-I423 HydrophobicContact CD2-CG2 4.03Å; R409-I423 HydrophobicContact CB-CG2 4.28Å; R409-I423 HydrophobicContact CG-CG2 4.13Å; R409-I423 WeakPolarHBondContact O-CD1 3.37Å; I412-I423 HydrophobicContact CB-CD1 4.06Å; I412-I423 HydrophobicContact CG2-CD1 3.73Å; I412-I423 HydrophobicContact CG2-CG1 4.15Å; L418-I423 HydrophobicContact CB-CD1 4.07Å; L418-I423 HydrophobicContact CB-CG1 3.87Å; L418-I423 HydrophobicContact CD1-CG1 4.4Å; S419-I423 WeakPolarHBondContact O-CG1 3.23Å; S419-I423 PolarHBondContact O-N 2.9Å; T421-I423 PolarHBondContact O-N 3.49Å; I423-H425 PolarHBondContact O-N 2.95Å; I423-W426 PolarHBondContact O-N 3.28Å; I423-L427 HydrophobicContact CG2-CD1 4.02Å; I423-L427 WeakPolarHBondContact O-CG 3.46Å; I423-L427 PolarHBondContact O-N 3.5Å |
| 424 | S | 94.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | -179.7 | -61 | 0 | 0 | 0 | 0 | 112.8 | R409 M420 T421 L427 A428 | R409-S424 PolarHBondContact NH1-OG 3.02Å; R409-S424 VanDerWaalsContact NH1-OG 3.1Å; M420-S424 VanDerWaalsContact O-CB 3.26Å; M420-S424 WeakPolarHBondContact O-CB 3.44Å; M420-S424 PolarHBondContact O-N 2.88Å; M420-S424 PolarHBondContact O-OG 3.3Å; T421-S424 PolarHBondContact O-N 2.61Å; S424-L427 PolarHBondContact O-N 3.26Å; S424-A428 VanDerWaalsContact O-CB 3.3Å; S424-A428 WeakPolarHBondContact O-CB 3.45Å; S424-A428 PolarHBondContact O-N 2.76Å |
| 425 | H | 94.6 | Very high | 93.5 | Very high | 137 Ų | 137 | 57 Ų | 57 | 63% | 0.634 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.5 | -39.4 | 173.5 | -69.1 | 173.3 | 0 | 0 | 0 | 112.2 | T421 T422 I423 A428 N429 | T421-H425 WeakPolarHBondContact O-CB 3.44Å; T421-H425 PolarHBondContact O-N 3.29Å; T422-H425 PolarHBondContact O-N 3.45Å; I423-H425 PolarHBondContact O-N 2.95Å; H425-A428 PolarHBondContact O-N 3.17Å; H425-N429 WeakPolarHBondContact O-CB 3.25Å; H425-N429 PolarHBondContact O-N 3.07Å |
| 426 | W | 95 | Very high | 93.4 | Very high | 28 Ų | 28 | 61.8 Ų | 61.8 | 11% | 0.106 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 173.3 | -176.7 | 95.3 | 0 | 0 | 0 | 111.4 | W375 L383 Q384 F387 T422 I423 A428 N429 V430 F442 | W375-W426 HydrophobicContact CH2-CB 3.8Å; W375-W426 AromaticContact CH2-CD1 3.84Å; W375-W426 HydrophobicContact CH2-CG 4.14Å; W375-W426 HydrophobicContact CZ2-CB 4.23Å; W375-W426 AromaticContact CZ2-CD1 3.85Å; W375-W426 HydrophobicContact CZ2-CG 4.44Å; L383-W426 HydrophobicContact CB-CD2 4.22Å; L383-W426 HydrophobicContact CB-CE3 4.05Å; L383-W426 HydrophobicContact CB-CH2 3.68Å; L383-W426 HydrophobicContact CB-CZ2 3.84Å; L383-W426 HydrophobicContact CB-CZ3 3.78Å; L383-W426 HydrophobicContact CD1-CD2 4Å; L383-W426 HydrophobicContact CD1-CE3 4.4Å; L383-W426 HydrophobicContact CD1-CG 4.12Å; L383-W426 HydrophobicContact CD2-CD2 4.44Å; L383-W426 HydrophobicContact CD2-CE3 4.04Å; L383-W426 HydrophobicContact CD2-CZ3 4.37Å; L383-W426 HydrophobicContact CG-CD2 4.47Å; L383-W426 HydrophobicContact CG-CE3 4.41Å; Q384-W426 HydrophobicContact CG-CH2 4.28Å; Q384-W426 HydrophobicContact CG-CZ2 4.19Å; F387-W426 HydrophobicContact CB-CH2 4.32Å; F387-W426 HydrophobicContact CB-CZ3 4.22Å; T422-W426 PolarHBondContact O-N 2.96Å; I423-W426 PolarHBondContact O-N 3.28Å; W426-A428 PolarHBondContact O-N 3.4Å; W426-N429 PolarHBondContact O-N 3.04Å; W426-V430 HydrophobicContact CD2-CG2 4.01Å; W426-V430 HydrophobicContact CE3-CG2 4.04Å; W426-V430 HydrophobicContact CH2-CG2 3.84Å; W426-V430 HydrophobicContact CZ2-CG2 3.81Å; W426-V430 HydrophobicContact CZ3-CG2 3.96Å; W426-V430 WeakPolarHBondContact O-CG2 3.37Å; W426-V430 PolarHBondContact O-N 2.84Å; W426-F442 HydrophobicContact CH2-CE1 4.2Å; W426-F442 HydrophobicContact CH2-CZ 4.12Å; W426-F442 HydrophobicContact CZ2-CE1 4.15Å |
| 427 | L | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.7 | -72.3 | 169.9 | 0 | 0 | 0 | 112 | F387 L404 R409 I423 S424 N429 V430 K431 | F387-L427 HydrophobicContact CD2-CD2 3.9Å; L404-L427 HydrophobicContact CB-CD1 4.08Å; L404-L427 HydrophobicContact CD1-CD2 3.99Å; L404-L427 HydrophobicContact CD2-CD1 4.29Å; L404-L427 HydrophobicContact CD2-CD2 4.37Å; R409-L427 HydrophobicContact CG-CD1 4.06Å; I423-L427 HydrophobicContact CG2-CD1 4.02Å; I423-L427 WeakPolarHBondContact O-CG 3.46Å; I423-L427 PolarHBondContact O-N 3.5Å; S424-L427 PolarHBondContact O-N 3.26Å; L427-N429 VanDerWaalsContact C-N 3.34Å; L427-N429 PolarHBondContact O-N 3.04Å; L427-V430 PolarHBondContact O-N 3.48Å; L427-K431 WeakPolarHBondContact O-CB 3.46Å; L427-K431 VanDerWaalsContact O-CG 3.25Å; L427-K431 WeakPolarHBondContact O-CG 3.31Å; L427-K431 PolarHBondContact O-N 2.98Å |
| 428 | A | 93.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 63.5 Ų | 63.5 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S424 H425 W426 K431 Y432 | S424-A428 VanDerWaalsContact O-CB 3.3Å; S424-A428 WeakPolarHBondContact O-CB 3.45Å; S424-A428 PolarHBondContact O-N 2.76Å; H425-A428 PolarHBondContact O-N 3.17Å; W426-A428 PolarHBondContact O-N 3.4Å; A428-K431 PolarHBondContact O-N 3.01Å; A428-Y432 VanDerWaalsContact O-CB 3.31Å; A428-Y432 WeakPolarHBondContact O-CB 3.31Å; A428-Y432 PolarHBondContact O-N 3.27Å |
| 429 | N | 93.4 | Very high | 92.7 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 53% | 0.529 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 175.9 | -169.1 | -93.1 | 0 | 0 | 0 | 111.9 | H425 W426 L427 K431 Y432 Q433 | H425-N429 WeakPolarHBondContact O-CB 3.25Å; H425-N429 PolarHBondContact O-N 3.07Å; W426-N429 PolarHBondContact O-N 3.04Å; L427-N429 VanDerWaalsContact C-N 3.34Å; L427-N429 PolarHBondContact O-N 3.04Å; N429-K431 PolarHBondContact O-N 3.46Å; N429-Y432 PolarHBondContact O-N 3Å; N429-Q433 VanDerWaalsContact O-CG 3.25Å; N429-Q433 WeakPolarHBondContact O-CG 3.44Å; N429-Q433 PolarHBondContact O-N 3.45Å |
| 430 | V | 93.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 175.6 | 166 | 0 | 0 | 0 | 0 | 111 | F387 W426 L427 Q433 L434 T440 F442 | F387-V430 HydrophobicContact CD1-CG1 4.43Å; F387-V430 HydrophobicContact CD2-CG1 3.99Å; F387-V430 HydrophobicContact CE1-CG1 4.14Å; F387-V430 HydrophobicContact CE2-CG1 3.65Å; F387-V430 HydrophobicContact CG-CG1 4.37Å; F387-V430 HydrophobicContact CZ-CG1 3.73Å; W426-V430 HydrophobicContact CD2-CG2 4.01Å; W426-V430 HydrophobicContact CE3-CG2 4.04Å; W426-V430 HydrophobicContact CH2-CG2 3.84Å; W426-V430 HydrophobicContact CZ2-CG2 3.81Å; W426-V430 HydrophobicContact CZ3-CG2 3.96Å; W426-V430 WeakPolarHBondContact O-CG2 3.37Å; W426-V430 PolarHBondContact O-N 2.84Å; L427-V430 PolarHBondContact O-N 3.48Å; V430-Q433 PolarHBondContact O-N 3.31Å; V430-L434 HydrophobicContact CG1-CD1 3.92Å; V430-L434 WeakPolarHBondContact O-CG 3.38Å; V430-L434 PolarHBondContact O-N 2.92Å; V430-T440 HydrophobicContact CG1-CG2 4.14Å; V430-F442 HydrophobicContact CG1-CE1 4.36Å; V430-F442 HydrophobicContact CG1-CZ 4.04Å; V430-F442 HydrophobicContact CG2-CE1 4.1Å; V430-F442 HydrophobicContact CG2-CZ 4.44Å |
| 431 | K | 92.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 67.6 Ų | 67.6 | 6% | 0.057 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 178.4 | -68.3 | 178.5 | -175 | -171.6 | 0 | 112.9 | F387 L401 D403 L427 A428 N429 L434 R435 | F387-K431 HydrophobicContact CE2-CG 4.38Å; L401-K431 HydrophobicContact CD2-CG 3.96Å; D403-K431 IonicContact OD1-NZ 2.84Å; D403-K431 PolarHBondContact OD1-NZ 3.34Å; D403-K431 IonicContact OD2-NZ 2.63Å; D403-K431 PolarHBondContact OD2-NZ 2.85Å; L427-K431 WeakPolarHBondContact O-CB 3.46Å; L427-K431 VanDerWaalsContact O-CG 3.25Å; L427-K431 WeakPolarHBondContact O-CG 3.31Å; L427-K431 PolarHBondContact O-N 2.98Å; A428-K431 PolarHBondContact O-N 3.01Å; N429-K431 PolarHBondContact O-N 3.46Å; K431-L434 PolarHBondContact O-N 2.94Å; K431-R435 WeakPolarHBondContact O-CG 3.22Å; K431-R435 PolarHBondContact O-N 3.09Å |
| 432 | Y | 93.2 | Very high | 92.5 | Very high | 125 Ų | 125 | 64 Ų | 64 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 175 | 179.2 | -94 | 0 | 0 | 0 | 111.5 | A428 N429 R435 K436 | A428-Y432 VanDerWaalsContact O-CB 3.31Å; A428-Y432 WeakPolarHBondContact O-CB 3.31Å; A428-Y432 PolarHBondContact O-N 3.27Å; N429-Y432 PolarHBondContact O-N 3Å; Y432-R435 PolarHBondContact O-N 2.69Å; Y432-K436 HydrophobicContact CE1-CB 4.46Å; Y432-K436 HydrophobicContact CE1-CD 3.57Å; Y432-K436 VanDerWaalsContact O-CB 3.27Å; Y432-K436 WeakPolarHBondContact O-CB 3.43Å; Y432-K436 PolarHBondContact O-N 2.65Å; Y432-K436 WeakPolarHBondContact OH-CD 3.32Å; Y432-K436 PolarHBondContact OH-NZ 3.21Å |
| 433 | Q | 92.1 | Very high | 92.5 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 179.5 | -66 | -73.7 | 45.6 | 0 | 0 | 112.4 | N429 V430 K436 T437 G439 T440 | N429-Q433 VanDerWaalsContact O-CG 3.25Å; N429-Q433 WeakPolarHBondContact O-CG 3.44Å; N429-Q433 PolarHBondContact O-N 3.45Å; V430-Q433 PolarHBondContact O-N 3.31Å; Q433-K436 PolarHBondContact O-N 3.11Å; Q433-T437 WeakPolarHBondContact O-CA 3.31Å; Q433-T437 WeakPolarHBondContact O-CB 3.44Å; Q433-T437 PolarHBondContact O-N 3.05Å; Q433-T437 PolarHBondContact O-OG1 3.48Å; Q433-G439 CarbonylContact C-O 3.52Å; Q433-T440 HydrophobicContact CB-CG2 4.11Å |
| 434 | L | 91.8 | Very high | 92.4 | Very high | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 174 | -70.8 | 165.7 | 0 | 0 | 0 | 111.9 | F387 L401 V430 K431 G438 T440 L443 M446 | F387-L434 HydrophobicContact CE1-CD1 3.97Å; F387-L434 HydrophobicContact CZ-CD1 3.54Å; L401-L434 HydrophobicContact CD1-CD1 4.36Å; L401-L434 HydrophobicContact CD2-CD1 4.15Å; V430-L434 HydrophobicContact CG1-CD1 3.92Å; V430-L434 WeakPolarHBondContact O-CG 3.38Å; V430-L434 PolarHBondContact O-N 2.92Å; K431-L434 PolarHBondContact O-N 2.94Å; L434-G438 VanDerWaalsContact O-CA 3.28Å; L434-G438 WeakPolarHBondContact O-CA 3.39Å; L434-G438 PolarHBondContact O-N 2.95Å; L434-G438 VanDerWaalsContact O-N 3.1Å; L434-T440 HydrophobicContact CD1-CG2 4.46Å; L434-T440 HydrophobicContact CD2-CG2 3.95Å; L434-T440 HydrophobicContact CG-CG2 3.79Å; L434-L443 HydrophobicContact CD1-CD2 4.13Å; L434-L443 HydrophobicContact CD2-CB 4.49Å; L434-L443 HydrophobicContact CD2-CD2 3.88Å; L434-L443 HydrophobicContact CD2-CG 3.94Å; L434-M446 HydrophobicContact CD2-CB 4.07Å; L434-M446 HydrophobicContact CD2-CG 4.41Å |
| 435 | R | 89.9 | Confident | 92.2 | Very high | 198 Ų | 198 | 67 Ų | 67 | 75% | 0.747 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -69.1 | -36.8 | 177.8 | -67.8 | 177.4 | -165.3 | 158.8 | 2.1 | 113.5 | K431 Y432 | K431-R435 WeakPolarHBondContact O-CG 3.22Å; K431-R435 PolarHBondContact O-N 3.09Å; Y432-R435 PolarHBondContact O-N 2.69Å |
| 436 | K | 90.3 | Very high | 91.9 | Very high | 144 Ų | 144 | 61.4 Ų | 61.4 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -87.8 | -31.3 | -173.5 | -173.7 | 172 | -174.9 | 179 | 0 | 114.1 | Y432 Q433 | Y432-K436 HydrophobicContact CE1-CB 4.46Å; Y432-K436 HydrophobicContact CE1-CD 3.57Å; Y432-K436 VanDerWaalsContact O-CB 3.27Å; Y432-K436 WeakPolarHBondContact O-CB 3.43Å; Y432-K436 PolarHBondContact O-N 2.65Å; Y432-K436 WeakPolarHBondContact OH-CD 3.32Å; Y432-K436 PolarHBondContact OH-NZ 3.21Å; Q433-K436 PolarHBondContact O-N 3.11Å |
| 437 | T | 89.8 | Confident | 91.5 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 60% | 0.595 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -125.5 | -0.1 | -168.2 | -39.2 | 0 | 0 | 0 | 0 | 112.3 | Q433 G439 | Q433-T437 WeakPolarHBondContact O-CA 3.31Å; Q433-T437 WeakPolarHBondContact O-CB 3.44Å; Q433-T437 PolarHBondContact O-N 3.05Å; Q433-T437 PolarHBondContact O-OG1 3.48Å; T437-G439 PolarHBondContact O-N 3.47Å; T437-G439 VanDerWaalsContact O-N 3.14Å |
| 438 | G | 84.2 | Confident | 91.2 | Very high | 20 Ų | 20 | 71 Ų | 71 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 68.3 | 3.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L434 N445 | L434-G438 VanDerWaalsContact O-CA 3.28Å; L434-G438 WeakPolarHBondContact O-CA 3.39Å; L434-G438 PolarHBondContact O-N 2.95Å; L434-G438 VanDerWaalsContact O-N 3.1Å; G438-N445 PolarHBondContact O-N 3.5Å |
| 439 | G | 90.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 68.6 Ų | 68.6 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -172.9 | 163.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q433 T437 L443 | Q433-G439 CarbonylContact C-O 3.52Å; T437-G439 PolarHBondContact O-N 3.47Å; T437-G439 VanDerWaalsContact O-N 3.14Å; G439-L443 CarbonylContact C-O 3.56Å; G439-L443 WeakPolarHBondContact CA-O 3.21Å |
| 440 | T | 93.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 69.5 Ų | 69.5 | 16% | 0.16 | 33% | 0.328 | C | S | . | . | trans | -119 | -171.6 | 167 | 76.4 | 0 | 0 | 0 | 0 | 109.6 | V430 Q433 L434 F442 L443 | V430-T440 HydrophobicContact CG1-CG2 4.14Å; Q433-T440 HydrophobicContact CB-CG2 4.11Å; L434-T440 HydrophobicContact CD1-CG2 4.46Å; L434-T440 HydrophobicContact CD2-CG2 3.95Å; L434-T440 HydrophobicContact CG-CG2 3.79Å; T440-F442 VanDerWaalsContact C-N 3.25Å; T440-F442 HydrophobicContact CG2-CE1 4.47Å; T440-F442 PolarHBondContact O-N 3.29Å; T440-F442 WeakPolarHBondContact OG1-CD1 3.49Å; T440-F442 WeakPolarHBondContact OG1-CE1 3.44Å; T440-F442 PolarHBondContact OG1-N 3.44Å; T440-L443 PolarHBondContact N-O 2.78Å; T440-L443 PolarHBondContact OG1-N 2.88Å | ||
| 441 | K | 90.8 | Very high | 90.7 | Very high | 197 Ų | 197 | 69.2 Ų | 69.2 | 86% | 0.857 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -61.9 | -31.3 | 172.3 | -65.9 | -172.9 | 177.1 | -174.9 | 0 | 113.6 | ||
| 442 | F | 94.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 69.9 Ų | 69.9 | 6% | 0.057 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -113.6 | -7.2 | -169.4 | 72.4 | -93.8 | 0 | 0 | 0 | 114.3 | Q384 F387 W426 V430 T440 F453 Y454 Y468 | Q384-F442 HydrophobicContact CB-CD2 4.33Å; Q384-F442 HydrophobicContact CB-CE2 4.35Å; Q384-F442 HydrophobicContact CG-CB 4.46Å; Q384-F442 HydrophobicContact CG-CD1 3.77Å; Q384-F442 HydrophobicContact CG-CD2 3.87Å; Q384-F442 HydrophobicContact CG-CE1 3.88Å; Q384-F442 HydrophobicContact CG-CE2 3.98Å; Q384-F442 HydrophobicContact CG-CG 3.78Å; Q384-F442 HydrophobicContact CG-CZ 3.99Å; F387-F442 AromaticContact CD1-CE2 3.96Å; F387-F442 HydrophobicContact CD1-CE2 3.96Å; F387-F442 AromaticContact CD1-CZ 3.98Å; F387-F442 HydrophobicContact CD1-CZ 3.98Å; F387-F442 HydrophobicContact CG-CZ 4.39Å; W426-F442 HydrophobicContact CH2-CE1 4.2Å; W426-F442 HydrophobicContact CH2-CZ 4.12Å; W426-F442 HydrophobicContact CZ2-CE1 4.15Å; V430-F442 HydrophobicContact CG1-CE1 4.36Å; V430-F442 HydrophobicContact CG1-CZ 4.04Å; V430-F442 HydrophobicContact CG2-CE1 4.1Å; V430-F442 HydrophobicContact CG2-CZ 4.44Å; T440-F442 VanDerWaalsContact C-N 3.25Å; T440-F442 HydrophobicContact CG2-CE1 4.47Å; T440-F442 PolarHBondContact O-N 3.29Å; T440-F442 WeakPolarHBondContact OG1-CD1 3.49Å; T440-F442 WeakPolarHBondContact OG1-CE1 3.44Å; T440-F442 PolarHBondContact OG1-N 3.44Å; F442-F453 CarbonylContact O-C 3.59Å; F442-F453 WeakPolarHBondContact O-CA 3.16Å; F442-Y454 PolarHBondContact O-N 2.73Å; F442-Y468 HydrophobicContact CD2-CE1 4.41Å |
| 443 | L | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 128.5 | -177.4 | 170.4 | 59.1 | 0 | 0 | 0 | 110.3 | F387 L391 L434 G439 T440 P451 I452 F453 | F387-L443 HydrophobicContact CD1-CD2 4.45Å; F387-L443 HydrophobicContact CE1-CD2 3.7Å; L391-L443 HydrophobicContact CD1-CD2 4.25Å; L434-L443 HydrophobicContact CD1-CD2 4.13Å; L434-L443 HydrophobicContact CD2-CB 4.49Å; L434-L443 HydrophobicContact CD2-CD2 3.88Å; L434-L443 HydrophobicContact CD2-CG 3.94Å; G439-L443 CarbonylContact C-O 3.56Å; G439-L443 WeakPolarHBondContact CA-O 3.21Å; T440-L443 PolarHBondContact N-O 2.78Å; T440-L443 PolarHBondContact OG1-N 2.88Å; L443-P451 HydrophobicContact CD1-CB 3.46Å; L443-P451 VanDerWaalsContact CD1-CB 3.46Å; L443-I452 CarbonylContact C-O 3.49Å; L443-I452 WeakPolarHBondContact CA-O 3.41Å; L443-F453 HydrophobicContact CB-CD1 4.49Å; L443-F453 HydrophobicContact CD1-CD1 4Å; L443-F453 HydrophobicContact CD1-CE1 3.88Å; L443-F453 HydrophobicContact CD1-CG 4.46Å; L443-F453 HydrophobicContact CD1-CZ 4.23Å; L443-F453 HydrophobicContact CD2-CE1 4.42Å |
| 444 | K | 93.4 | Very high | 91.1 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 40% | 0.4 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 171.8 | 175.9 | -54.1 | -178.9 | -167.8 | 171.7 | 0 | 111 | M446 I452 Y454 | K444-M446 PolarHBondContact O-N 2.66Å; K444-I452 PolarHBondContact N-O 3.36Å; K444-I452 PolarHBondContact O-N 2.95Å; K444-Y454 HydrophobicContact CB-CE2 4.09Å; K444-Y454 HydrophobicContact CD-CD2 4.33Å; K444-Y454 HydrophobicContact CD-CE2 3.56Å; K444-Y454 HydrophobicContact CG-CD2 4.25Å; K444-Y454 HydrophobicContact CG-CE2 3.71Å |
| 445 | N | 90.5 | Very high | 91.3 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | trans | 61.9 | 21.7 | 175.3 | -61.4 | -16.6 | 0 | 0 | 0 | 114.9 | G438 D447 K448 H450 I452 | G438-N445 PolarHBondContact O-N 3.5Å; N445-D447 VanDerWaalsContact C-N 3.32Å; N445-D447 WeakPolarHBondContact CA-OD1 3.25Å; N445-K448 PolarHBondContact O-N 2.89Å; N445-K448 VanDerWaalsContact O-N 3.12Å; N445-H450 VanDerWaalsContact CB-O 3.3Å; N445-H450 WeakPolarHBondContact CB-O 3.36Å; N445-H450 CarbonylContact O-C 3.57Å; N445-H450 PolarHBondContact O-N 3.38Å; N445-I452 HydrophobicContact CB-CG1 4.46Å; N445-I452 VanDerWaalsContact ND2-CD1 3.29Å; N445-I452 WeakPolarHBondContact ND2-CD1 3.3Å | ||
| 446 | M | 88.7 | Confident | 91.3 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -72.2 | -28.1 | 177.7 | 174.8 | 47.7 | 51.5 | 0 | 0 | 112 | L391 L401 L434 K444 K448 G449 P451 | L391-M446 HydrophobicContact CD1-CE 4.26Å; L391-M446 HydrophobicContact CD2-CE 4.3Å; L401-M446 HydrophobicContact CD1-CE 4.42Å; L401-M446 HydrophobicContact CD1-CG 3.47Å; L401-M446 VanDerWaalsContact CD1-CG 3.47Å; L401-M446 HydrophobicContact CD1-SD 3.47Å; L401-M446 WeakPolarHBondContact CD1-SD 3.3Å; L434-M446 HydrophobicContact CD2-CB 4.07Å; L434-M446 HydrophobicContact CD2-CG 4.41Å; K444-M446 PolarHBondContact O-N 2.66Å; M446-K448 PolarHBondContact O-N 3.22Å; M446-G449 PolarHBondContact O-N 3.03Å; M446-G449 VanDerWaalsContact O-N 3.11Å; M446-P451 HydrophobicContact CE-CB 3.75Å; M446-P451 HydrophobicContact CE-CG 4.09Å |
| 447 | D | 87.4 | Confident | 91.4 | Very high | 107 Ų | 107 | 54.9 Ų | 54.9 | 57% | 0.572 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -53.3 | -31.1 | 164.8 | 58.9 | -54 | 0 | 0 | 0 | 113.1 | N445 | N445-D447 VanDerWaalsContact C-N 3.32Å; N445-D447 WeakPolarHBondContact CA-OD1 3.25Å |
| 448 | K | 87.3 | Confident | 91.6 | Very high | 128 Ų | 128 | 53.2 Ų | 53.2 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -93.4 | 3.4 | -178.1 | -49.8 | -175.3 | -178.1 | 171.9 | 0 | 113 | N445 M446 H450 | N445-K448 PolarHBondContact O-N 2.89Å; N445-K448 VanDerWaalsContact O-N 3.12Å; M446-K448 PolarHBondContact O-N 3.22Å; K448-H450 PolarHBondContact O-N 2.95Å; K448-H450 VanDerWaalsContact O-N 3.12Å; K448-H450 PolarHBondContact O-ND1 3.1Å |
| 449 | G | 86 | Confident | 92.1 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 3.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.9 | K398 Y399 M446 P451 | K398-G449 CarbonylContact C-O 3.58Å; K398-G449 WeakPolarHBondContact CA-O 3.02Å; Y399-G449 PolarHBondContact N-O 3.36Å; M446-G449 PolarHBondContact O-N 3.03Å; M446-G449 VanDerWaalsContact O-N 3.11Å; G449-P451 VanDerWaalsContact O-CD 3.29Å; G449-P451 WeakPolarHBondContact O-CD 3.37Å |
| 450 | H | 89.8 | Confident | 92.3 | Very high | 117 Ų | 117 | 58.2 Ų | 58.2 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | trans | -119.9 | 78 | -173.4 | -71.9 | 85 | 0 | 0 | 0 | 109.6 | N445 K448 I452 | N445-H450 VanDerWaalsContact CB-O 3.3Å; N445-H450 WeakPolarHBondContact CB-O 3.36Å; N445-H450 CarbonylContact O-C 3.57Å; N445-H450 PolarHBondContact O-N 3.38Å; K448-H450 PolarHBondContact O-N 2.95Å; K448-H450 VanDerWaalsContact O-N 3.12Å; K448-H450 PolarHBondContact O-ND1 3.1Å; H450-I452 PolarHBondContact O-N 3.08Å | ||
| 451 | P | 93.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.019 | 33% | 0.326 | C | S | . | . | trans | -60.7 | 134.3 | -174.2 | 24.5 | -34.2 | 0 | 0 | 0 | 112 | Y399 L443 M446 G449 F453 | Y399-P451 HydrophobicContact CD2-CG 3.55Å; Y399-P451 HydrophobicContact CE2-CG 4.28Å; Y399-P451 HydrophobicContact CG-CG 3.85Å; L443-P451 HydrophobicContact CD1-CB 3.46Å; L443-P451 VanDerWaalsContact CD1-CB 3.46Å; M446-P451 HydrophobicContact CE-CB 3.75Å; M446-P451 HydrophobicContact CE-CG 4.09Å; G449-P451 VanDerWaalsContact O-CD 3.29Å; G449-P451 WeakPolarHBondContact O-CD 3.37Å; P451-F453 HydrophobicContact CB-CD2 4.41Å; P451-F453 HydrophobicContact CB-CE2 3.68Å; P451-F453 HydrophobicContact CB-CZ 3.79Å; P451-F453 HydrophobicContact CG-CE2 3.9Å; P451-F453 HydrophobicContact CG-CZ 4.13Å | ||
| 452 | I | 94.5 | Very high | 92.7 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 115 | 165.5 | -55.6 | -170 | 0 | 0 | 0 | 108.2 | L443 K444 N445 H450 Y454 Q461 | L443-I452 CarbonylContact C-O 3.49Å; L443-I452 WeakPolarHBondContact CA-O 3.41Å; K444-I452 PolarHBondContact N-O 3.36Å; K444-I452 PolarHBondContact O-N 2.95Å; N445-I452 HydrophobicContact CB-CG1 4.46Å; N445-I452 VanDerWaalsContact ND2-CD1 3.29Å; N445-I452 WeakPolarHBondContact ND2-CD1 3.3Å; H450-I452 PolarHBondContact O-N 3.08Å; I452-Y454 HydrophobicContact CB-CE2 4.06Å; I452-Y454 HydrophobicContact CG2-CD2 4.32Å; I452-Y454 HydrophobicContact CG2-CE1 4.42Å; I452-Y454 HydrophobicContact CG2-CE2 3.56Å; I452-Y454 WeakPolarHBondContact O-CD2 3.36Å; I452-Y454 WeakPolarHBondContact O-CE2 3.41Å; I452-Q461 VanDerWaalsContact CG2-CD 3.44Å; I452-Q461 HydrophobicContact CG2-CG 3.29Å |
| 453 | F | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 149.4 | 177.5 | -53 | -93.6 | 0 | 0 | 0 | 110.9 | A388 L391 F442 L443 P451 Q461 F462 P465 Y468 | A388-F453 HydrophobicContact CB-CD1 4.43Å; A388-F453 HydrophobicContact CB-CE1 3.84Å; A388-F453 HydrophobicContact CB-CZ 4.45Å; L391-F453 HydrophobicContact CD1-CE1 3.79Å; L391-F453 HydrophobicContact CD1-CZ 3.63Å; F442-F453 CarbonylContact O-C 3.59Å; F442-F453 WeakPolarHBondContact O-CA 3.16Å; L443-F453 HydrophobicContact CB-CD1 4.49Å; L443-F453 HydrophobicContact CD1-CD1 4Å; L443-F453 HydrophobicContact CD1-CE1 3.88Å; L443-F453 HydrophobicContact CD1-CG 4.46Å; L443-F453 HydrophobicContact CD1-CZ 4.23Å; L443-F453 HydrophobicContact CD2-CE1 4.42Å; P451-F453 HydrophobicContact CB-CD2 4.41Å; P451-F453 HydrophobicContact CB-CE2 3.68Å; P451-F453 HydrophobicContact CB-CZ 3.79Å; P451-F453 HydrophobicContact CG-CE2 3.9Å; P451-F453 HydrophobicContact CG-CZ 4.13Å; F453-Q461 WeakPolarHBondContact O-CA 3.46Å; F453-F462 HydrophobicContact CB-CB 4.29Å; F453-F462 PolarHBondContact N-O 2.66Å; F453-F462 PolarHBondContact O-N 2.76Å; F453-P465 HydrophobicContact CE2-CB 4.38Å; F453-P465 HydrophobicContact CE2-CG 4.07Å; F453-P465 HydrophobicContact CZ-CB 4.1Å; F453-P465 HydrophobicContact CZ-CG 3.88Å; F453-Y468 HydrophobicContact CB-CD1 3.78Å; F453-Y468 HydrophobicContact CB-CD2 3.58Å; F453-Y468 HydrophobicContact CB-CE1 4.12Å; F453-Y468 HydrophobicContact CB-CE2 3.93Å; F453-Y468 HydrophobicContact CB-CG 3.49Å; F453-Y468 VanDerWaalsContact CB-CG 3.49Å; F453-Y468 AromaticContact CD1-CD1 3.47Å; F453-Y468 HydrophobicContact CD1-CD1 3.47Å; F453-Y468 VanDerWaalsContact CD1-CD1 3.47Å; F453-Y468 AromaticContact CD1-CE1 3.82Å; F453-Y468 HydrophobicContact CD1-CE1 3.82Å; F453-Y468 HydrophobicContact CD1-CG 4.02Å; F453-Y468 HydrophobicContact CD2-CG 4.47Å; F453-Y468 HydrophobicContact CE1-CD1 4.23Å; F453-Y468 AromaticContact CG-CD1 3.73Å; F453-Y468 HydrophobicContact CG-CD1 3.73Å; F453-Y468 HydrophobicContact CG-CD2 4.36Å; F453-Y468 HydrophobicContact CG-CE1 4.29Å; F453-Y468 AromaticContact CG-CG 3.76Å; F453-Y468 HydrophobicContact CG-CG 3.76Å |
| 454 | Y | 96.4 | Very high | 92.6 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.3 | -179.8 | -63.1 | -95.9 | 0 | 0 | 0 | 109.7 | F442 K444 I452 S460 Q461 Y468 | F442-Y454 PolarHBondContact O-N 2.73Å; K444-Y454 HydrophobicContact CB-CE2 4.09Å; K444-Y454 HydrophobicContact CD-CD2 4.33Å; K444-Y454 HydrophobicContact CD-CE2 3.56Å; K444-Y454 HydrophobicContact CG-CD2 4.25Å; K444-Y454 HydrophobicContact CG-CE2 3.71Å; I452-Y454 HydrophobicContact CB-CE2 4.06Å; I452-Y454 HydrophobicContact CG2-CD2 4.32Å; I452-Y454 HydrophobicContact CG2-CE1 4.42Å; I452-Y454 HydrophobicContact CG2-CE2 3.56Å; I452-Y454 WeakPolarHBondContact O-CD2 3.36Å; I452-Y454 WeakPolarHBondContact O-CE2 3.41Å; Y454-S460 WeakPolarHBondContact CA-O 3.13Å; Y454-Q461 HydrophobicContact CD1-CB 4.48Å; Y454-Q461 HydrophobicContact CD1-CG 4.4Å; Y454-Q461 HydrophobicContact CE1-CB 4.42Å; Y454-Q461 HydrophobicContact CE1-CG 4.04Å; Y454-Y468 PolarHBondContact O-OH 3.31Å |
| 455 | C | 95.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | trans | -83.7 | 128.8 | 166.9 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | D457 A459 S460 F462 Y468 H471 H475 | C455-D457 VanDerWaalsContact C-N 3.27Å; C455-D457 PolarHBondContact O-N 2.76Å; C455-D457 PolarHBondContact SG-N 2.96Å; C455-A459 VanDerWaalsContact O-CA 3.23Å; C455-A459 WeakPolarHBondContact O-CA 3.32Å; C455-A459 PolarHBondContact O-N 2.99Å; C455-A459 VanDerWaalsContact O-N 3.16Å; C455-S460 PolarHBondContact N-O 3.26Å; C455-F462 HydrophobicContact CB-CE2 4.41Å; C455-Y468 HydrophobicContact CB-CE2 4.37Å; C455-H471 VanDerWaalsContact CB-NE2 3.27Å; C455-H471 WeakPolarHBondContact CB-NE2 3.49Å; C455-H471 PolarHBondContact SG-NE2 3.33Å; C455-H471 VanDerWaalsContact SG-NE2 3.37Å; C455-H475 PolarHBondContact SG-NE2 3.41Å | ||
| 456 | S | 90.8 | Very high | 92.8 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -66.4 | -30.7 | 173.6 | 40.2 | 0 | 0 | 0 | 0 | 113 | ||
| 457 | D | 92.4 | Very high | 93.2 | Very high | 86 Ų | 86 | 63.7 Ų | 63.7 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -92.7 | -29 | -161.1 | -55.6 | 6.4 | 0 | 0 | 0 | 111.1 | C455 H475 | C455-D457 VanDerWaalsContact C-N 3.27Å; C455-D457 PolarHBondContact O-N 2.76Å; C455-D457 PolarHBondContact SG-N 2.96Å; D457-H475 WeakPolarHBondContact CB-CE1 3.48Å |
| 458 | C | 94.1 | Very high | 93.6 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -111 | 6.3 | 171.5 | -71.6 | 0 | 0 | 0 | 0 | 114.1 | S460 H475 | C458-S460 PolarHBondContact O-N 2.99Å; C458-S460 PolarHBondContact O-OG 2.83Å; C458-H475 VanDerWaalsContact CB-NE2 3.32Å; C458-H475 WeakPolarHBondContact CB-NE2 3.4Å; C458-H475 PolarHBondContact SG-CE1 3.47Å; C458-H475 PolarHBondContact SG-NE2 3.15Å |
| 459 | A | 94.1 | Very high | 94 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 75% | 0.752 | 30% | 0.301 | S | S | * | . | trans | 50.3 | 16.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | C455 | C455-A459 VanDerWaalsContact O-CA 3.23Å; C455-A459 WeakPolarHBondContact O-CA 3.32Å; C455-A459 PolarHBondContact O-N 2.99Å; C455-A459 VanDerWaalsContact O-N 3.16Å | ||
| 460 | S | 95.3 | Very high | 94.5 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | trans | -87.1 | 144.9 | -166.4 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | Y454 C455 C458 | Y454-S460 WeakPolarHBondContact CA-O 3.13Å; C455-S460 PolarHBondContact N-O 3.26Å; C458-S460 PolarHBondContact O-N 2.99Å; C458-S460 PolarHBondContact O-OG 2.83Å | ||
| 461 | Q | 96.3 | Very high | 94.9 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.5 | -176.7 | -172.4 | -174.4 | 114.9 | 0 | 0 | 111.7 | I452 F453 Y454 | I452-Q461 VanDerWaalsContact CG2-CD 3.44Å; I452-Q461 HydrophobicContact CG2-CG 3.29Å; F453-Q461 WeakPolarHBondContact O-CA 3.46Å; Y454-Q461 HydrophobicContact CD1-CB 4.48Å; Y454-Q461 HydrophobicContact CD1-CG 4.4Å; Y454-Q461 HydrophobicContact CE1-CB 4.42Å; Y454-Q461 HydrophobicContact CE1-CG 4.04Å |
| 462 | F | 96 | Very high | 95 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.7 | -179.6 | -53.9 | -96.1 | 0 | 0 | 0 | 110.9 | F453 C455 Y468 H471 | F453-F462 HydrophobicContact CB-CB 4.29Å; F453-F462 PolarHBondContact N-O 2.66Å; F453-F462 PolarHBondContact O-N 2.76Å; C455-F462 HydrophobicContact CB-CE2 4.41Å; F462-Y468 HydrophobicContact CB-CD2 4.4Å; F462-Y468 AromaticContact CD2-CD2 3.61Å; F462-Y468 HydrophobicContact CD2-CD2 3.61Å; F462-Y468 HydrophobicContact CD2-CE2 4.36Å; F462-Y468 HydrophobicContact CE2-CD2 4.17Å; F462-Y468 HydrophobicContact CG-CD2 4.14Å; F462-H471 HydrophobicContact CE1-CB 3.81Å; F462-H471 HydrophobicContact CE2-CB 4.26Å; F462-H471 AromaticContact CE2-CD2 3.31Å; F462-H471 WeakPolarHBondContact CE2-CD2 3.39Å; F462-H471 AromaticContact CE2-CG 3.86Å; F462-H471 AromaticContact CE2-NE2 3.85Å; F462-H471 HydrophobicContact CZ-CB 3.6Å; F462-H471 AromaticContact CZ-CD2 3.26Å; F462-H471 WeakPolarHBondContact CZ-CD2 3.24Å; F462-H471 AromaticContact CZ-CG 3.31Å; F462-H471 AromaticContact CZ-ND1 3.89Å; F462-H471 AromaticContact CZ-NE2 3.8Å |
| 463 | R | 93.8 | Very high | 95 | Very high | 180 Ų | 180 | 52.5 Ų | 52.5 | 68% | 0.679 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -115.4 | -5.7 | -177.5 | -64.1 | -175.6 | -173.7 | 137.1 | 7.1 | 114.7 | ||
| 464 | T | 93 | Very high | 95 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -126.1 | 142.3 | 175 | 58.1 | 0 | 0 | 0 | 0 | 109.7 | S466 T467 Y468 | T464-S466 VanDerWaalsContact C-N 3.26Å; T464-S466 PolarHBondContact O-N 3.19Å; T464-T467 PolarHBondContact O-N 2.83Å; T464-T467 PolarHBondContact O-OG1 2.9Å; T464-T467 VanDerWaalsContact O-OG1 3.11Å; T464-T467 WeakPolarHBondContact OG1-CG2 3.39Å; T464-T467 PolarHBondContact OG1-OG1 2.72Å; T464-Y468 PolarHBondContact O-N 2.89Å |
| 465 | P | 94.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 7% | 0.065 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.6 | -38.1 | 178.9 | -21.3 | 30.5 | 0 | 0 | 0 | 112.3 | A388 Y399 F453 T467 Y468 I469 | A388-P465 HydrophobicContact CB-CB 4.43Å; Y399-P465 HydrophobicContact CD1-CG 3.94Å; Y399-P465 HydrophobicContact CE1-CG 3.54Å; Y399-P465 VanDerWaalsContact CZ-CD 3.47Å; Y399-P465 WeakPolarHBondContact OH-CD 3.37Å; F453-P465 HydrophobicContact CE2-CB 4.38Å; F453-P465 HydrophobicContact CE2-CG 4.07Å; F453-P465 HydrophobicContact CZ-CB 4.1Å; F453-P465 HydrophobicContact CZ-CG 3.88Å; P465-T467 PolarHBondContact O-N 2.76Å; P465-Y468 PolarHBondContact O-N 3.47Å; P465-I469 HydrophobicContact CB-CD1 4.37Å; P465-I469 WeakPolarHBondContact O-CB 3.34Å; P465-I469 WeakPolarHBondContact O-CD1 3.26Å; P465-I469 WeakPolarHBondContact O-CG1 3.41Å; P465-I469 PolarHBondContact O-N 2.86Å |
| 466 | S | 94.3 | Very high | 94.9 | Very high | 80 Ų | 80 | 58.5 Ų | 58.5 | 56% | 0.559 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | -178.6 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | T464 S470 | T464-S466 VanDerWaalsContact C-N 3.26Å; T464-S466 PolarHBondContact O-N 3.19Å; S466-S470 WeakPolarHBondContact O-CB 3.44Å; S466-S470 PolarHBondContact O-N 2.93Å |
| 467 | T | 96.1 | Very high | 95 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.8 | -36.6 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | T464 P465 H471 | T464-T467 PolarHBondContact O-N 2.83Å; T464-T467 PolarHBondContact O-OG1 2.9Å; T464-T467 VanDerWaalsContact O-OG1 3.11Å; T464-T467 WeakPolarHBondContact OG1-CG2 3.39Å; T464-T467 PolarHBondContact OG1-OG1 2.72Å; P465-T467 PolarHBondContact O-N 2.76Å; T467-H471 WeakPolarHBondContact O-CB 3.06Å; T467-H471 PolarHBondContact O-N 3.1Å |
| 468 | Y | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 174.2 | -176 | -121.5 | 0 | 0 | 0 | 112.3 | Q384 A388 F442 F453 Y454 C455 F462 T464 P465 H471 L472 | Q384-Y468 HydrophobicContact CB-CE1 4.5Å; Q384-Y468 PolarHBondContact OE1-OH 3Å; Q384-Y468 VanDerWaalsContact OE1-OH 3.05Å; A388-Y468 HydrophobicContact CB-CD1 4Å; A388-Y468 HydrophobicContact CB-CE1 4.49Å; F442-Y468 HydrophobicContact CD2-CE1 4.41Å; F453-Y468 HydrophobicContact CB-CD1 3.78Å; F453-Y468 HydrophobicContact CB-CD2 3.58Å; F453-Y468 HydrophobicContact CB-CE1 4.12Å; F453-Y468 HydrophobicContact CB-CE2 3.93Å; F453-Y468 HydrophobicContact CB-CG 3.49Å; F453-Y468 VanDerWaalsContact CB-CG 3.49Å; F453-Y468 AromaticContact CD1-CD1 3.47Å; F453-Y468 HydrophobicContact CD1-CD1 3.47Å; F453-Y468 VanDerWaalsContact CD1-CD1 3.47Å; F453-Y468 AromaticContact CD1-CE1 3.82Å; F453-Y468 HydrophobicContact CD1-CE1 3.82Å; F453-Y468 HydrophobicContact CD1-CG 4.02Å; F453-Y468 HydrophobicContact CD2-CG 4.47Å; F453-Y468 HydrophobicContact CE1-CD1 4.23Å; F453-Y468 AromaticContact CG-CD1 3.73Å; F453-Y468 HydrophobicContact CG-CD1 3.73Å; F453-Y468 HydrophobicContact CG-CD2 4.36Å; F453-Y468 HydrophobicContact CG-CE1 4.29Å; F453-Y468 AromaticContact CG-CG 3.76Å; F453-Y468 HydrophobicContact CG-CG 3.76Å; Y454-Y468 PolarHBondContact O-OH 3.31Å; C455-Y468 HydrophobicContact CB-CE2 4.37Å; F462-Y468 HydrophobicContact CB-CD2 4.4Å; F462-Y468 AromaticContact CD2-CD2 3.61Å; F462-Y468 HydrophobicContact CD2-CD2 3.61Å; F462-Y468 HydrophobicContact CD2-CE2 4.36Å; F462-Y468 HydrophobicContact CE2-CD2 4.17Å; F462-Y468 HydrophobicContact CG-CD2 4.14Å; T464-Y468 PolarHBondContact O-N 2.89Å; P465-Y468 PolarHBondContact O-N 3.47Å; Y468-H471 WeakPolarHBondContact O-CB 3.33Å; Y468-H471 PolarHBondContact O-N 2.87Å; Y468-L472 HydrophobicContact CD1-CD1 4.14Å; Y468-L472 HydrophobicContact CE1-CD1 3.6Å; Y468-L472 HydrophobicContact CE1-CG 4.3Å; Y468-L472 HydrophobicContact CE2-CD1 4.37Å; Y468-L472 HydrophobicContact CE2-CD2 4.24Å; Y468-L472 HydrophobicContact CE2-CG 4.25Å; Y468-L472 WeakPolarHBondContact O-CG 3.29Å; Y468-L472 PolarHBondContact O-N 3Å |
| 469 | I | 96 | Very high | 95.1 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | 177.3 | -68 | 157.9 | 0 | 0 | 0 | 110.3 | A388 P465 H471 L472 E473 M480 | A388-I469 HydrophobicContact CB-CD1 4.2Å; A388-I469 HydrophobicContact CB-CG1 4.01Å; P465-I469 HydrophobicContact CB-CD1 4.37Å; P465-I469 WeakPolarHBondContact O-CB 3.34Å; P465-I469 WeakPolarHBondContact O-CD1 3.26Å; P465-I469 WeakPolarHBondContact O-CG1 3.41Å; P465-I469 PolarHBondContact O-N 2.86Å; I469-H471 VanDerWaalsContact C-N 3.26Å; I469-H471 PolarHBondContact O-N 3.48Å; I469-L472 CarbonylContact O-C 3.54Å; I469-L472 WeakPolarHBondContact O-CA 3.46Å; I469-L472 PolarHBondContact O-N 3.44Å; I469-E473 HydrophobicContact CG2-CG 4.31Å; I469-E473 WeakPolarHBondContact O-CG 3.5Å; I469-E473 PolarHBondContact O-N 3.36Å; I469-M480 HydrophobicContact CG2-CG 3.96Å |
| 470 | S | 96.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 49% | 0.49 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -34.2 | 178.1 | -173.7 | 0 | 0 | 0 | 0 | 112.8 | S466 E473 S474 | S466-S470 WeakPolarHBondContact O-CB 3.44Å; S466-S470 PolarHBondContact O-N 2.93Å; S470-E473 PolarHBondContact O-N 3.1Å; S470-S474 PolarHBondContact O-N 2.88Å; S470-S474 VanDerWaalsContact O-N 3.14Å |
| 471 | H | 96.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 170.2 | 175.6 | 60.1 | 0 | 0 | 0 | 112.6 | C455 F462 T467 Y468 I469 E473 S474 H475 | C455-H471 VanDerWaalsContact CB-NE2 3.27Å; C455-H471 WeakPolarHBondContact CB-NE2 3.49Å; C455-H471 PolarHBondContact SG-NE2 3.33Å; C455-H471 VanDerWaalsContact SG-NE2 3.37Å; F462-H471 HydrophobicContact CE1-CB 3.81Å; F462-H471 HydrophobicContact CE2-CB 4.26Å; F462-H471 AromaticContact CE2-CD2 3.31Å; F462-H471 WeakPolarHBondContact CE2-CD2 3.39Å; F462-H471 AromaticContact CE2-CG 3.86Å; F462-H471 AromaticContact CE2-NE2 3.85Å; F462-H471 HydrophobicContact CZ-CB 3.6Å; F462-H471 AromaticContact CZ-CD2 3.26Å; F462-H471 WeakPolarHBondContact CZ-CD2 3.24Å; F462-H471 AromaticContact CZ-CG 3.31Å; F462-H471 AromaticContact CZ-ND1 3.89Å; F462-H471 AromaticContact CZ-NE2 3.8Å; T467-H471 WeakPolarHBondContact O-CB 3.06Å; T467-H471 PolarHBondContact O-N 3.1Å; Y468-H471 WeakPolarHBondContact O-CB 3.33Å; Y468-H471 PolarHBondContact O-N 2.87Å; I469-H471 VanDerWaalsContact C-N 3.26Å; I469-H471 PolarHBondContact O-N 3.48Å; H471-E473 VanDerWaalsContact C-N 3.34Å; H471-S474 PolarHBondContact O-N 2.64Å; H471-S474 PolarHBondContact O-OG 2.86Å; H471-H475 AromaticContact CD2-NE2 3.6Å; H471-H475 AromaticContact CE1-CD2 3.65Å; H471-H475 AromaticContact CE1-NE2 2.52Å; H471-H475 PolarHBondContact CE1-NE2 2.94Å; H471-H475 AromaticContact ND1-NE2 3.56Å; H471-H475 AromaticContact NE2-CD2 3.71Å; H471-H475 AromaticContact NE2-NE2 2.51Å; H471-H475 PolarHBondContact NE2-NE2 3.33Å; H471-H475 PolarHBondContact O-CD2 2.9Å; H471-H475 PolarHBondContact O-N 3.5Å |
| 472 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -34.4 | 174.4 | -65.9 | -173.8 | 0 | 0 | 0 | 112.6 | L381 Q384 A385 Y468 I469 S474 H475 L476 | L381-L472 HydrophobicContact CD2-CD2 4.03Å; Q384-L472 HydrophobicContact CB-CD1 3.96Å; A385-L472 HydrophobicContact CB-CB 4.29Å; A385-L472 HydrophobicContact CB-CD1 3.8Å; Y468-L472 HydrophobicContact CD1-CD1 4.14Å; Y468-L472 HydrophobicContact CE1-CD1 3.6Å; Y468-L472 HydrophobicContact CE1-CG 4.3Å; Y468-L472 HydrophobicContact CE2-CD1 4.37Å; Y468-L472 HydrophobicContact CE2-CD2 4.24Å; Y468-L472 HydrophobicContact CE2-CG 4.25Å; Y468-L472 WeakPolarHBondContact O-CG 3.29Å; Y468-L472 PolarHBondContact O-N 3Å; I469-L472 CarbonylContact O-C 3.54Å; I469-L472 WeakPolarHBondContact O-CA 3.46Å; I469-L472 PolarHBondContact O-N 3.44Å; L472-S474 VanDerWaalsContact C-N 3.28Å; L472-S474 PolarHBondContact O-N 3.29Å; L472-H475 PolarHBondContact O-N 2.94Å; L472-L476 WeakPolarHBondContact O-CB 3.46Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.2Å |
| 473 | E | 95.2 | Very high | 93.8 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 171.6 | -69.5 | 174.6 | 152.3 | 0 | 0 | 111.4 | I469 S470 H471 H475 L476 G477 F478 Q479 M480 | I469-E473 HydrophobicContact CG2-CG 4.31Å; I469-E473 WeakPolarHBondContact O-CG 3.5Å; I469-E473 PolarHBondContact O-N 3.36Å; S470-E473 PolarHBondContact O-N 3.1Å; H471-E473 VanDerWaalsContact C-N 3.34Å; E473-H475 PolarHBondContact O-N 3.15Å; E473-L476 PolarHBondContact O-N 3.19Å; E473-G477 PolarHBondContact O-N 3.09Å; E473-F478 WeakPolarHBondContact CB-O 3.31Å; E473-F478 PolarHBondContact O-N 3.23Å; E473-Q479 WeakPolarHBondContact OE1-CA 3.43Å; E473-M480 HydrophobicContact CG-CG 3.78Å; E473-M480 PolarHBondContact OE1-N 2.97Å |
| 474 | S | 95.9 | Very high | 93.2 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.1 | -30.6 | 174.7 | 77.4 | 0 | 0 | 0 | 0 | 113.8 | S470 H471 L472 | S470-S474 PolarHBondContact O-N 2.88Å; S470-S474 VanDerWaalsContact O-N 3.14Å; H471-S474 PolarHBondContact O-N 2.64Å; H471-S474 PolarHBondContact O-OG 2.86Å; L472-S474 VanDerWaalsContact C-N 3.28Å; L472-S474 PolarHBondContact O-N 3.29Å |
| 475 | H | 94.4 | Very high | 92.7 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -75.9 | -29.9 | 171.4 | -80.1 | -77.9 | 0 | 0 | 0 | 113.1 | L381 C455 D457 C458 H471 L472 E473 | L381-H475 HydrophobicContact CD1-CB 3.63Å; C455-H475 PolarHBondContact SG-NE2 3.41Å; D457-H475 WeakPolarHBondContact CB-CE1 3.48Å; C458-H475 VanDerWaalsContact CB-NE2 3.32Å; C458-H475 WeakPolarHBondContact CB-NE2 3.4Å; C458-H475 PolarHBondContact SG-CE1 3.47Å; C458-H475 PolarHBondContact SG-NE2 3.15Å; H471-H475 AromaticContact CD2-NE2 3.6Å; H471-H475 AromaticContact CE1-CD2 3.65Å; H471-H475 AromaticContact CE1-NE2 2.52Å; H471-H475 PolarHBondContact CE1-NE2 2.94Å; H471-H475 AromaticContact ND1-NE2 3.56Å; H471-H475 AromaticContact NE2-CD2 3.71Å; H471-H475 AromaticContact NE2-NE2 2.51Å; H471-H475 PolarHBondContact NE2-NE2 3.33Å; H471-H475 PolarHBondContact O-CD2 2.9Å; H471-H475 PolarHBondContact O-N 3.5Å; L472-H475 PolarHBondContact O-N 2.94Å; E473-H475 PolarHBondContact O-N 3.15Å |
| 476 | L | 94.1 | Very high | 92 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -86.6 | -23.8 | -179.2 | -74 | 170.2 | 0 | 0 | 0 | 113.3 | Q378 L381 I382 L472 E473 F478 M480 | Q378-L476 HydrophobicContact CB-CD2 4.34Å; L381-L476 HydrophobicContact CB-CD1 4.31Å; L381-L476 HydrophobicContact CB-CD2 4.15Å; L381-L476 HydrophobicContact CB-CG 4.24Å; I382-L476 HydrophobicContact CD1-CD2 4.27Å; I382-L476 HydrophobicContact CG1-CD1 3.81Å; I382-L476 HydrophobicContact CG1-CD2 3.93Å; L472-L476 WeakPolarHBondContact O-CB 3.46Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.2Å; E473-L476 PolarHBondContact O-N 3.19Å; L476-F478 VanDerWaalsContact C-N 3.31Å; L476-F478 HydrophobicContact CB-CD1 3.95Å; L476-F478 HydrophobicContact CB-CE1 3.72Å; L476-F478 HydrophobicContact CB-CZ 4.22Å; L476-F478 HydrophobicContact CD1-CZ 4.21Å; L476-F478 HydrophobicContact CD2-CE1 4.19Å; L476-F478 HydrophobicContact CD2-CZ 4.44Å; L476-F478 HydrophobicContact CG-CE1 4.36Å; L476-F478 VanDerWaalsContact O-CD1 3.31Å; L476-F478 WeakPolarHBondContact O-CD1 3.28Å; L476-M480 HydrophobicContact CD1-SD 3.71Å |
| 477 | G | 93.9 | Very high | 91.2 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 76% | 0.763 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 8.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E473 | E473-G477 PolarHBondContact O-N 3.09Š|
| 478 | F | 93.9 | Very high | 90.1 | Very high | 54 Ų | 54 | 54 Ų | 54 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -149.2 | 156.8 | 178.1 | 67.7 | -90.9 | 0 | 0 | 0 | 111.5 | I382 F415 E473 L476 M483 | I382-F478 HydrophobicContact CD1-CZ 4.28Å; I382-F478 HydrophobicContact CG1-CZ 4.32Å; F415-F478 HydrophobicContact CE1-CE1 4.21Å; F415-F478 HydrophobicContact CE1-CE2 4.28Å; F415-F478 AromaticContact CE1-CZ 3.59Å; F415-F478 HydrophobicContact CE1-CZ 3.59Å; F415-F478 HydrophobicContact CE2-CE2 4.4Å; F415-F478 HydrophobicContact CE2-CZ 4.37Å; F415-F478 AromaticContact CZ-CE1 3.85Å; F415-F478 HydrophobicContact CZ-CE1 3.85Å; F415-F478 AromaticContact CZ-CE2 3.8Å; F415-F478 HydrophobicContact CZ-CE2 3.8Å; F415-F478 AromaticContact CZ-CZ 3.37Å; F415-F478 HydrophobicContact CZ-CZ 3.37Å; E473-F478 WeakPolarHBondContact CB-O 3.31Å; E473-F478 PolarHBondContact O-N 3.23Å; L476-F478 VanDerWaalsContact C-N 3.31Å; L476-F478 HydrophobicContact CB-CD1 3.95Å; L476-F478 HydrophobicContact CB-CE1 3.72Å; L476-F478 HydrophobicContact CB-CZ 4.22Å; L476-F478 HydrophobicContact CD1-CZ 4.21Å; L476-F478 HydrophobicContact CD2-CE1 4.19Å; L476-F478 HydrophobicContact CD2-CZ 4.44Å; L476-F478 HydrophobicContact CG-CE1 4.36Å; L476-F478 VanDerWaalsContact O-CD1 3.31Å; L476-F478 WeakPolarHBondContact O-CD1 3.28Å; F478-M483 HydrophobicContact CE2-CB 4.4Å |
| 479 | Q | 93.4 | Very high | 88.8 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | trans | -78.5 | 139 | 175.7 | -70.4 | -176.3 | 47 | 0 | 0 | 111.7 | E473 K481 D482 | E473-Q479 WeakPolarHBondContact OE1-CA 3.43Å; Q479-K481 PolarHBondContact O-N 2.88Å; Q479-K481 VanDerWaalsContact O-N 3.1Å; Q479-D482 PolarHBondContact O-N 3.07Å | ||
| 480 | M | 90.4 | Very high | 87.4 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.2 | 178.4 | -64.5 | -56.6 | -56.6 | 0 | 0 | 112.8 | I382 A385 Q386 I469 E473 L476 M483 | I382-M480 HydrophobicContact CG2-CE 4.18Å; A385-M480 HydrophobicContact CB-CE 3.83Å; A385-M480 HydrophobicContact CB-CG 3.87Å; A385-M480 HydrophobicContact CB-SD 3.73Å; Q386-M480 HydrophobicContact CG-CE 3.69Å; I469-M480 HydrophobicContact CG2-CG 3.96Å; E473-M480 HydrophobicContact CG-CG 3.78Å; E473-M480 PolarHBondContact OE1-N 2.97Å; L476-M480 HydrophobicContact CD1-SD 3.71Å; M480-M483 HydrophobicContact CE-SD 4.04Å; M480-M483 WeakPolarHBondContact O-CB 3.44Å; M480-M483 PolarHBondContact O-N 3.21Å |
| 481 | K | 89.5 | Confident | 85.8 | Confident | 173 Ų | 173 | 62.3 Ų | 62.3 | 75% | 0.752 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -39.9 | 173.3 | -63.6 | 170.9 | -175.5 | 168 | 0 | 112.2 | Q479 M483 | Q479-K481 PolarHBondContact O-N 2.88Å; Q479-K481 VanDerWaalsContact O-N 3.1Å; K481-M483 PolarHBondContact O-N 2.94Å |
| 482 | D | 89.1 | Confident | 84.1 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.4 | 178.8 | -79.6 | -54.7 | 0 | 0 | 0 | 113.4 | Q479 T484 R485 M486 | Q479-D482 PolarHBondContact O-N 3.07Å; D482-T484 PolarHBondContact O-N 2.63Å; D482-T484 VanDerWaalsContact O-N 3.1Å; D482-R485 VanDerWaalsContact CG-NH1 3.32Å; D482-R485 WeakPolarHBondContact O-CA 3.48Å; D482-R485 WeakPolarHBondContact O-CB 3.45Å; D482-R485 PolarHBondContact O-N 2.95Å; D482-R485 IonicContact OD1-CZ 2.98Å; D482-R485 IonicContact OD1-NH1 2.64Å; D482-R485 PolarHBondContact OD1-NH1 3.02Å; D482-R485 IonicContact OD2-NH1 3.8Å; D482-M486 HydrophobicContact CB-CG 4.48Å; D482-M486 PolarHBondContact O-N 3.41Å |
| 483 | M | 85.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -51.3 | -37.1 | 178.9 | -168.8 | -172.6 | 77 | 0 | 0 | 112.5 | I382 Q386 Q411 I412 F415 F478 M480 K481 A487 | I382-M483 HydrophobicContact CG2-SD 3.93Å; Q386-M483 VanDerWaalsContact NE2-CE 3.28Å; Q411-M483 HydrophobicContact CB-CE 3.81Å; I412-M483 HydrophobicContact CG1-CE 4.12Å; F415-M483 HydrophobicContact CB-CG 3.89Å; F415-M483 HydrophobicContact CB-SD 4.37Å; F415-M483 HydrophobicContact CD1-CG 4.05Å; F415-M483 HydrophobicContact CD2-CB 4.43Å; F415-M483 HydrophobicContact CD2-CG 3.51Å; F415-M483 WeakPolarHBondContact CD2-O 3.37Å; F415-M483 HydrophobicContact CE2-CG 4.02Å; F415-M483 HydrophobicContact CG-CG 3.53Å; F415-M483 HydrophobicContact CG-SD 4.36Å; F415-M483 HydrophobicContact CZ-CG 4.48Å; F478-M483 HydrophobicContact CE2-CB 4.4Å; M480-M483 HydrophobicContact CE-SD 4.04Å; M480-M483 WeakPolarHBondContact O-CB 3.44Å; M480-M483 PolarHBondContact O-N 3.21Å; K481-M483 PolarHBondContact O-N 2.94Å; M483-A487 VanDerWaalsContact O-CB 3.24Å; M483-A487 WeakPolarHBondContact O-CB 3.49Å; M483-A487 PolarHBondContact O-N 3.48Å |
| 484 | T | 81.6 | Confident | 80.6 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.8 | -38.5 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | Q411 D482 A488 | Q411-T484 PolarHBondContact NE2-OG1 3.04Å; D482-T484 PolarHBondContact O-N 2.63Å; D482-T484 VanDerWaalsContact O-N 3.1Å; T484-A488 PolarHBondContact O-N 2.88Å |
| 485 | R | 82.8 | Confident | 78.9 | Confident | 135 Ų | 135 | 73.3 Ų | 73.3 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.7 | -50.7 | 177.9 | -157.6 | -162 | 84 | -136.1 | 8.1 | 110.3 | D482 A487 A488 D489 | D482-R485 VanDerWaalsContact CG-NH1 3.32Å; D482-R485 WeakPolarHBondContact O-CA 3.48Å; D482-R485 WeakPolarHBondContact O-CB 3.45Å; D482-R485 PolarHBondContact O-N 2.95Å; D482-R485 IonicContact OD1-CZ 2.98Å; D482-R485 IonicContact OD1-NH1 2.64Å; D482-R485 PolarHBondContact OD1-NH1 3.02Å; D482-R485 IonicContact OD2-NH1 3.8Å; R485-A487 VanDerWaalsContact C-N 3.28Å; R485-A487 PolarHBondContact O-N 2.97Å; R485-A488 WeakPolarHBondContact O-CB 3.48Å; R485-A488 PolarHBondContact O-N 3.02Å; R485-D489 IonicContact NE-OD2 2.78Å; R485-D489 IonicContact NH2-OD2 2.69Å; R485-D489 PolarHBondContact O-N 3.5Å |
| 486 | M | 77.9 | Confident | 77.2 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -31.3 | 177.5 | -65.9 | -51.4 | -49.2 | 0 | 0 | 112.8 | F415 D482 D489 Q490 | F415-M486 HydrophobicContact CE2-CB 3.88Å; D482-M486 HydrophobicContact CB-CG 4.48Å; D482-M486 PolarHBondContact O-N 3.41Å; M486-D489 HydrophobicContact CE-CB 4.46Å; M486-D489 PolarHBondContact O-N 3.24Å; M486-Q490 WeakPolarHBondContact O-CB 3.4Å; M486-Q490 WeakPolarHBondContact O-CG 3.43Å; M486-Q490 PolarHBondContact O-N 3.06Å |
| 487 | A | 77.9 | Confident | 75.4 | Confident | 7 Ų | 7 | 77.3 Ų | 77.3 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | K414 F415 M483 R485 Q491 | K414-A487 HydrophobicContact CB-CB 4.43Å; F415-A487 HydrophobicContact CB-CB 4.42Å; F415-A487 HydrophobicContact CD2-CB 4.25Å; M483-A487 VanDerWaalsContact O-CB 3.24Å; M483-A487 WeakPolarHBondContact O-CB 3.49Å; M483-A487 PolarHBondContact O-N 3.48Å; R485-A487 VanDerWaalsContact C-N 3.28Å; R485-A487 PolarHBondContact O-N 2.97Å; A487-Q491 WeakPolarHBondContact O-CB 3.37Å; A487-Q491 VanDerWaalsContact O-CG 3.3Å; A487-Q491 WeakPolarHBondContact O-CG 3.3Å; A487-Q491 PolarHBondContact O-N 3.44Å |
| 488 | A | 73.1 | Confident | 73.8 | Confident | 53 Ų | 53 | 79.1 Ų | 79.1 | 44% | 0.438 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.9 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T484 R485 Q490 Q491 S492 | T484-A488 PolarHBondContact O-N 2.88Å; R485-A488 WeakPolarHBondContact O-CB 3.48Å; R485-A488 PolarHBondContact O-N 3.02Å; A488-Q490 PolarHBondContact O-N 2.98Å; A488-Q491 PolarHBondContact O-N 2.95Å; A488-S492 PolarHBondContact O-N 3.3Å; A488-S492 PolarHBondContact O-OG 3.25Å |
| 489 | D | 70.8 | Confident | 72.3 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 175.6 | -64.9 | -25.9 | 0 | 0 | 0 | 111.3 | R485 M486 S492 K493 | R485-D489 IonicContact NE-OD2 2.78Å; R485-D489 IonicContact NH2-OD2 2.69Å; R485-D489 PolarHBondContact O-N 3.5Å; M486-D489 HydrophobicContact CE-CB 4.46Å; M486-D489 PolarHBondContact O-N 3.24Å; D489-S492 PolarHBondContact O-OG 3.43Å; D489-K493 WeakPolarHBondContact O-CB 3.32Å; D489-K493 PolarHBondContact O-N 3.49Å |
| 490 | Q | 66.3 | Low | 70.6 | Confident | 107 Ų | 107 | 83 Ų | 83 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 173 | -70.7 | -98.8 | 55.3 | 0 | 0 | 112.1 | M486 A488 K493 V494 | M486-Q490 WeakPolarHBondContact O-CB 3.4Å; M486-Q490 WeakPolarHBondContact O-CG 3.43Å; M486-Q490 PolarHBondContact O-N 3.06Å; A488-Q490 PolarHBondContact O-N 2.98Å; Q490-K493 PolarHBondContact O-N 3.31Å; Q490-V494 WeakPolarHBondContact O-CG2 3.39Å; Q490-V494 PolarHBondContact O-N 2.9Å |
| 491 | Q | 62 | Low | 68.9 | Low | 90 Ų | 90 | 87 Ų | 87 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 178.8 | -74.8 | -170.9 | -35.9 | 0 | 0 | 111.5 | A487 A488 K493 V494 E495 | A487-Q491 WeakPolarHBondContact O-CB 3.37Å; A487-Q491 VanDerWaalsContact O-CG 3.3Å; A487-Q491 WeakPolarHBondContact O-CG 3.3Å; A487-Q491 PolarHBondContact O-N 3.44Å; A488-Q491 PolarHBondContact O-N 2.95Å; Q491-K493 PolarHBondContact O-N 2.9Å; Q491-V494 PolarHBondContact O-N 3.32Å; Q491-E495 WeakPolarHBondContact O-CB 3.4Å; Q491-E495 PolarHBondContact O-N 2.9Å |
| 492 | S | 60.8 | Low | 67.3 | Low | 53 Ų | 53 | 82.7 Ų | 82.7 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67 | -34.5 | 177.4 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | A488 D489 E495 Q496 | A488-S492 PolarHBondContact O-N 3.3Å; A488-S492 PolarHBondContact O-OG 3.25Å; D489-S492 PolarHBondContact O-OG 3.43Å; S492-E495 PolarHBondContact O-N 3.49Å; S492-Q496 WeakPolarHBondContact O-CB 3.26Å; S492-Q496 WeakPolarHBondContact O-CG 3.49Å; S492-Q496 PolarHBondContact O-N 2.91Å |
| 493 | K | 59.7 | Low | 65.6 | Low | 108 Ų | 108 | 84.3 Ų | 84.3 | 47% | 0.47 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 173.4 | -174.3 | 177.9 | -177.5 | -81.3 | 0 | 111.8 | D489 Q490 Q491 Q496 E497 | D489-K493 WeakPolarHBondContact O-CB 3.32Å; D489-K493 PolarHBondContact O-N 3.49Å; Q490-K493 PolarHBondContact O-N 3.31Å; Q491-K493 PolarHBondContact O-N 2.9Å; K493-Q496 PolarHBondContact O-N 3.36Å; K493-E497 WeakPolarHBondContact CE-OE1 3.23Å; K493-E497 IonicContact NZ-OE1 2.78Å; K493-E497 PolarHBondContact NZ-OE1 3.3Å; K493-E497 IonicContact NZ-OE2 2.66Å; K493-E497 PolarHBondContact O-N 3.21Å |
| 494 | V | 59.8 | Low | 64 | Low | 73 Ų | 73 | 88.4 Ų | 88.4 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.5 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | Q490 Q491 E497 I498 | Q490-V494 WeakPolarHBondContact O-CG2 3.39Å; Q490-V494 PolarHBondContact O-N 2.9Å; Q491-V494 PolarHBondContact O-N 3.32Å; V494-E497 PolarHBondContact O-N 2.99Å; V494-I498 HydrophobicContact CG1-CD1 3.72Å; V494-I498 HydrophobicContact CG1-CG1 4.42Å; V494-I498 VanDerWaalsContact O-CG1 3.26Å; V494-I498 WeakPolarHBondContact O-CG1 3.43Å; V494-I498 PolarHBondContact O-N 3.49Å |
| 495 | E | 59.1 | Low | 62.5 | Low | 143 Ų | 143 | 93.4 Ų | 93.4 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 174.9 | -169.1 | 173.5 | 167.3 | 0 | 0 | 112.1 | Q491 S492 S499 | Q491-E495 WeakPolarHBondContact O-CB 3.4Å; Q491-E495 PolarHBondContact O-N 2.9Å; S492-E495 PolarHBondContact O-N 3.49Å; E495-S499 WeakPolarHBondContact O-CB 3.33Å; E495-S499 PolarHBondContact O-N 3.43Å |
| 496 | Q | 59.3 | Low | 60.8 | Low | 97 Ų | 97 | 97.5 Ų | 97.5 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 172.3 | -76.6 | -177 | 30.6 | 0 | 0 | 113.1 | S492 K493 S499 R500 | S492-Q496 WeakPolarHBondContact O-CB 3.26Å; S492-Q496 WeakPolarHBondContact O-CG 3.49Å; S492-Q496 PolarHBondContact O-N 2.91Å; K493-Q496 PolarHBondContact O-N 3.36Å; Q496-S499 PolarHBondContact O-N 3.49Å; Q496-R500 WeakPolarHBondContact O-CB 3.18Å; Q496-R500 VanDerWaalsContact O-CG 3.23Å; Q496-R500 WeakPolarHBondContact O-CG 3.29Å; Q496-R500 PolarHBondContact O-N 3.4Å |
| 497 | E | 56.1 | Low | 58.8 | Low | 87 Ų | 87 | 99.2 Ų | 99.2 | 41% | 0.407 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69 | -43.9 | 176.4 | -78 | 174.2 | -177.9 | 0 | 0 | 111.5 | K493 V494 S499 R500 V501 | K493-E497 WeakPolarHBondContact CE-OE1 3.23Å; K493-E497 IonicContact NZ-OE1 2.78Å; K493-E497 PolarHBondContact NZ-OE1 3.3Å; K493-E497 IonicContact NZ-OE2 2.66Å; K493-E497 PolarHBondContact O-N 3.21Å; V494-E497 PolarHBondContact O-N 2.99Å; E497-S499 VanDerWaalsContact C-N 3.33Å; E497-S499 PolarHBondContact O-N 3.35Å; E497-R500 PolarHBondContact O-N 2.85Å; E497-V501 WeakPolarHBondContact O-CG2 3.34Å; E497-V501 PolarHBondContact O-N 2.89Å |
| 498 | I | 60.2 | Low | 57.1 | Low | 112 Ų | 112 | 104.8 Ų | 104.8 | 57% | 0.574 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.5 | -43.2 | 172.8 | -65.6 | 163.6 | 0 | 0 | 0 | 110.6 | V494 V501 S502 | V494-I498 HydrophobicContact CG1-CD1 3.72Å; V494-I498 HydrophobicContact CG1-CG1 4.42Å; V494-I498 VanDerWaalsContact O-CG1 3.26Å; V494-I498 WeakPolarHBondContact O-CG1 3.43Å; V494-I498 PolarHBondContact O-N 3.49Å; I498-V501 PolarHBondContact O-N 3.29Å; I498-S502 VanDerWaalsContact O-CB 3.29Å; I498-S502 WeakPolarHBondContact O-CB 3.38Å; I498-S502 PolarHBondContact O-N 3.43Å |
| 499 | S | 62.4 | Low | 55.3 | Low | 76 Ų | 76 | 110.9 Ų | 110.9 | 53% | 0.531 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -40.1 | 177.7 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | E495 Q496 E497 S502 S503 | E495-S499 WeakPolarHBondContact O-CB 3.33Å; E495-S499 PolarHBondContact O-N 3.43Å; Q496-S499 PolarHBondContact O-N 3.49Å; E497-S499 VanDerWaalsContact C-N 3.33Å; E497-S499 PolarHBondContact O-N 3.35Å; S499-S502 PolarHBondContact O-N 3.36Å; S499-S503 WeakPolarHBondContact O-CB 2.96Å; S499-S503 PolarHBondContact O-N 2.89Å |
| 500 | R | 57.8 | Low | 53.6 | Low | 155 Ų | 155 | 113.8 Ų | 113.8 | 59% | 0.585 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.2 | -42.8 | 174 | -75.6 | 171.2 | -173.4 | 135.9 | 12.5 | 112.5 | Q496 E497 S503 A504 | Q496-R500 WeakPolarHBondContact O-CB 3.18Å; Q496-R500 VanDerWaalsContact O-CG 3.23Å; Q496-R500 WeakPolarHBondContact O-CG 3.29Å; Q496-R500 PolarHBondContact O-N 3.4Å; E497-R500 PolarHBondContact O-N 2.85Å; R500-S503 PolarHBondContact O-N 2.86Å; R500-A504 WeakPolarHBondContact O-CB 3.5Å; R500-A504 PolarHBondContact O-N 3.41Å |
| 501 | V | 54.5 | Low | 52.2 | Low | 102 Ų | 102 | 116.9 Ų | 116.9 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.9 | -40.3 | 175.9 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | E497 I498 A504 | E497-V501 WeakPolarHBondContact O-CG2 3.34Å; E497-V501 PolarHBondContact O-N 2.89Å; I498-V501 PolarHBondContact O-N 3.29Å; V501-A504 PolarHBondContact O-N 3.23Å |
| 502 | S | 55.5 | Low | 51 | Low | 83 Ų | 83 | 116.9 Ų | 116.9 | 58% | 0.58 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.8 | -43.7 | 173.3 | -175.1 | 0 | 0 | 0 | 0 | 112 | I498 S499 A504 Q505 | I498-S502 VanDerWaalsContact O-CB 3.29Å; I498-S502 WeakPolarHBondContact O-CB 3.38Å; I498-S502 PolarHBondContact O-N 3.43Å; S499-S502 PolarHBondContact O-N 3.36Å; S502-A504 VanDerWaalsContact C-N 3.3Å; S502-A504 PolarHBondContact O-N 2.64Å; S502-Q505 PolarHBondContact O-N 3.23Å |
| 503 | S | 55.1 | Low | 50 | Low | 87 Ų | 87 | 118.2 Ų | 118.2 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.3 | -30.1 | 176.9 | -169.7 | 0 | 0 | 0 | 0 | 113.1 | S499 R500 Q505 R506 | S499-S503 WeakPolarHBondContact O-CB 2.96Å; S499-S503 PolarHBondContact O-N 2.89Å; R500-S503 PolarHBondContact O-N 2.86Å; S503-Q505 PolarHBondContact O-N 3.29Å; S503-R506 PolarHBondContact O-N 2.78Å |
| 504 | A | 50.3 | Low | 48.9 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.8 | -14.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R500 V501 S502 | R500-A504 WeakPolarHBondContact O-CB 3.5Å; R500-A504 PolarHBondContact O-N 3.41Å; V501-A504 PolarHBondContact O-N 3.23Å; S502-A504 VanDerWaalsContact C-N 3.3Å; S502-A504 PolarHBondContact O-N 2.64Å |
| 505 | Q | 50.8 | Low | 48 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 81% | 0.808 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 5.9 | 175.7 | -83.4 | -158.5 | -86.8 | 0 | 0 | 114.9 | S502 S503 | S502-Q505 PolarHBondContact O-N 3.23Å; S503-Q505 PolarHBondContact O-N 3.29Å |
| 506 | R | 47.3 | Very low | 47.2 | Very low | 222 Ų | 222 | 128.5 Ų | 128.5 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -109.4 | 100.7 | 168.2 | -74 | -172.8 | 179.8 | 161 | 2.6 | 110.8 | S503 | S503-R506 PolarHBondContact O-N 2.78Š| ||
| 507 | S | 36 | Very low | 46.3 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | -58.3 | 135.8 | 163.9 | 44.8 | 0 | 0 | 0 | 0 | 110.6 | E509 | S507-E509 PolarHBondContact O-N 3.34Š| ||
| 508 | P | 42 | Very low | 45.4 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | trans | -76.1 | 105.6 | 171.2 | 30.6 | -31.6 | 0 | 0 | 0 | 109.3 | ||||
| 509 | E | 34.9 | Very low | 44.6 | Very low | 182 Ų | 182 | 131.2 Ų | 131.2 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | -75.2 | 135.9 | 170.7 | -154.3 | 163.2 | 129.4 | 0 | 0 | 109.6 | S507 I511 | S507-E509 PolarHBondContact O-N 3.34Å; E509-I511 PolarHBondContact O-N 2.6Å | ||
| 510 | T | 35.2 | Very low | 43.9 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | -79.2 | 113.4 | -164.1 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | A512 | T510-A512 PolarHBondContact O-N 2.73Š| ||
| 511 | I | 38.3 | Very low | 43.2 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 90 | 163.1 | -54.8 | 177.4 | 0 | 0 | 0 | 108 | E509 | E509-I511 PolarHBondContact O-N 2.6Š| ||
| 512 | A | 36.5 | Very low | 42.6 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -90.5 | 138.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | T510 | T510-A512 PolarHBondContact O-N 2.73Š| ||
| 513 | G | 38.9 | Very low | 41.9 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -100.2 | 142.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 514 | E | 36.3 | Very low | 41.2 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -134.8 | 115.2 | 160.4 | 57.7 | -162.6 | 147.3 | 0 | 0 | 108.8 | ||||
| 515 | E | 42.3 | Very low | 40.7 | Very low | 200 Ų | 200 | 156.9 Ų | 156.9 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | trans | -84 | 135.6 | 156.5 | -75.7 | 179.7 | 76.2 | 0 | 0 | 107.4 | ||||
| 516 | D | 41.1 | Very low | 40.1 | Very low | 144 Ų | 144 | 156 Ų | 156 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | 160.3 | 167.2 | 115.1 | -164.7 | 17.3 | 0 | 0 | 0 | 111.4 | |||||
| 517 | T | 40.6 | Very low | 39.7 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 68% | 0.675 | 83% | 0.827 | S | S | * | * | trans | 76.5 | 88.1 | 162.8 | 64.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 518 | D | 37.3 | Very low | 39.9 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 77% | 0.77 | 84% | 0.836 | S | S | * | * | 72.7 | 151.1 | 112.7 | -135.2 | -42.3 | 0 | 0 | 0 | 122.2 | |||||
| 519 | S | 43.7 | Very low | 39.8 | Very low | 98 Ų | 98 | 157.6 Ų | 157.6 | 69% | 0.685 | 84% | 0.839 | S | S | * | * | trans | 46.3 | 120.9 | 150 | -78.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 520 | K | 48 | Very low | 40.2 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 83% | 0.83 | 84% | 0.838 | S | S | * | * | 177.8 | 156.4 | 52.3 | -162.8 | 162 | -178.6 | 167.2 | 0 | 112.2 | |||||
| 521 | F | 42.9 | Very low | 40.6 | Very low | 196 Ų | 196 | 157.9 Ų | 157.9 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -36.4 | 136.8 | 161.1 | -80.4 | -105.1 | 0 | 0 | 0 | 114.6 | ||||
| 522 | K | 40.9 | Very low | 40.8 | Very low | 272 Ų | 272 | 156.6 Ų | 156.6 | 100% | 1.183 | 84% | 0.837 | S | S | * | * | -158.6 | 0 | 80.3 | -141.2 | -177 | -179 | -174.8 | 0 | 113.8 |
Retrieved 522 of 522 residues in 133.8 ms
(Link to these results)