| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55 | Low | 58.9 | Low | 247 Ų | 247 | 136.7 Ų | 136.7 | 100% | 1.217 | 80% | 0.8 | S | S | * | * | 0 | 124.7 | 0 | -65.4 | 167.5 | 177.4 | 0 | 0 | 107.1 | |||||
| 2 | V | 53.9 | Low | 58.2 | Low | 139 Ų | 139 | 138.4 Ų | 138.4 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -108.3 | 109.7 | 179.7 | -178 | 0 | 0 | 0 | 0 | 108.1 | T4 | V2-T4 PolarHBondContact O-N 3.33Š| ||
| 3 | A | 57 | Low | 57.9 | Low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -90 | 89.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V5 | A3-V5 PolarHBondContact O-N 2.68Š| ||
| 4 | T | 66.7 | Low | 57.8 | Low | 127 Ų | 127 | 134.7 Ų | 134.7 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 91.1 | 170.7 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | V2 A6 | V2-T4 PolarHBondContact O-N 3.33Å; T4-A6 PolarHBondContact O-N 2.73Å; T4-A6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | V | 64.7 | Low | 57.6 | Low | 123 Ų | 123 | 139.5 Ų | 139.5 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -74.2 | 99.2 | 174.6 | -176 | 0 | 0 | 0 | 0 | 109.4 | A3 V7 | A3-V5 PolarHBondContact O-N 2.68Å; V5-V7 PolarHBondContact O-N 3.46Å | ||
| 6 | A | 67.4 | Low | 57.6 | Low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -73.6 | 116 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T4 | T4-A6 PolarHBondContact O-N 2.73Å; T4-A6 VanDerWaalsContact O-N 3.1Å | ||
| 7 | V | 65.6 | Low | 57.8 | Low | 127 Ų | 127 | 148.6 Ų | 148.6 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -82.7 | 123.5 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | V5 F9 | V5-V7 PolarHBondContact O-N 3.46Å; V7-F9 PolarHBondContact O-N 2.77Å | ||
| 8 | P | 64.5 | Low | 58.1 | Low | 105 Ų | 105 | 150.3 Ų | 150.3 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -70.5 | 130.7 | 178.9 | 28 | -33.6 | 0 | 0 | 0 | 111.5 | E10 | P8-E10 PolarHBondContact O-N 3.22Š| ||
| 9 | F | 45.6 | Very low | 58.4 | Low | 200 Ų | 200 | 148.4 Ų | 148.4 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -82.9 | 87.9 | 176.8 | -179.4 | -98.3 | 0 | 0 | 0 | 110.4 | V7 | V7-F9 PolarHBondContact O-N 2.77Š| ||
| 10 | E | 56.7 | Low | 58.8 | Low | 166 Ų | 166 | 147.6 Ų | 147.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -103.6 | 132.3 | -174.8 | -163.9 | 172.1 | -159.5 | 0 | 0 | 114.1 | P8 | P8-E10 PolarHBondContact O-N 3.22Š| ||
| 11 | S | 51 | Low | 59.1 | Low | 91 Ų | 91 | 144 Ų | 144 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 64.1 | 83.7 | 158.3 | 71.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 12 | L | 50.9 | Low | 60 | Low | 157 Ų | 157 | 136.7 Ų | 136.7 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -138.3 | 72.9 | 155.1 | -78.7 | -177.3 | 0 | 0 | 0 | 115.9 | ||||
| 13 | P | 54 | Low | 61 | Low | 108 Ų | 108 | 135.4 Ų | 135.4 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -106.3 | 22 | 176 | 39.1 | -32.7 | 0 | 0 | 0 | 115.5 | ||||
| 14 | V | 56.4 | Low | 61.8 | Low | 117 Ų | 117 | 138.1 Ų | 138.1 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -78.7 | -26.6 | -168.7 | -173.5 | 0 | 0 | 0 | 0 | 114.6 | R16 | V14-R16 PolarHBondContact O-N 3.47Š|
| 15 | K | 55.1 | Low | 62.2 | Low | 206 Ų | 206 | 138.5 Ų | 138.5 | 90% | 0.896 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -74.8 | -14.9 | -170.8 | -72.3 | 180 | 179.6 | 172.5 | 0 | 115.5 | ||
| 16 | R | 58 | Low | 62.4 | Low | 218 Ų | 218 | 140.2 Ų | 140.2 | 82% | 0.823 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -76.3 | -27.6 | -173.3 | -133.7 | 172.9 | -173.2 | 169 | 1.1 | 114.2 | V14 K18 L19 | V14-R16 PolarHBondContact O-N 3.47Å; R16-K18 PolarHBondContact O-N 3.1Å; R16-L19 PolarHBondContact O-N 3.46Å |
| 17 | R | 60.1 | Low | 62.6 | Low | 217 Ų | 217 | 145.1 Ų | 145.1 | 82% | 0.819 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.7 | -23.1 | -173.8 | -73.2 | -175.6 | 175.7 | 174.5 | -0.7 | 115.3 | ||
| 18 | K | 62.4 | Low | 62.6 | Low | 178 Ų | 178 | 142.4 Ų | 142.4 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -80.5 | -18.2 | 178.2 | -76.4 | -169.1 | 176 | -176.6 | 0 | 114.4 | R16 S21 E22 | R16-K18 PolarHBondContact O-N 3.1Å; K18-S21 PolarHBondContact O-OG 3Å; K18-E22 PolarHBondContact O-N 3.1Å |
| 19 | L | 64.3 | Low | 62.6 | Low | 114 Ų | 114 | 146.4 Ų | 146.4 | 60% | 0.597 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -77.9 | -40.7 | -179.9 | -162.7 | 74.4 | 0 | 0 | 0 | 111.8 | R16 E22 Q23 | R16-L19 PolarHBondContact O-N 3.46Å; L19-E22 WeakPolarHBondContact O-CB 3.43Å; L19-E22 PolarHBondContact O-N 2.83Å; L19-Q23 PolarHBondContact O-N 2.91Å |
| 20 | Q | 65.8 | Low | 63.3 | Low | 133 Ų | 133 | 144.5 Ų | 144.5 | 62% | 0.621 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.5 | -36.4 | 179 | -74.3 | -178.6 | -45.2 | 0 | 0 | 112.6 | Q23 Q24 | Q20-Q23 PolarHBondContact O-N 3.23Å; Q20-Q24 WeakPolarHBondContact O-CB 3.48Å; Q20-Q24 PolarHBondContact O-N 2.92Å |
| 21 | S | 66.3 | Low | 63.4 | Low | 73 Ų | 73 | 142.4 Ų | 142.4 | 51% | 0.51 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -70.9 | -31.9 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | K18 K25 | K18-S21 PolarHBondContact O-OG 3Å; S21-K25 WeakPolarHBondContact O-CB 3.47Å; S21-K25 PolarHBondContact O-N 3.16Å; S21-K25 VanDerWaalsContact O-N 3.11Å |
| 22 | E | 73.2 | Confident | 63.8 | Low | 93 Ų | 93 | 142 Ų | 142 | 44% | 0.435 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -61.9 | -52.1 | 166.2 | -108.3 | -77.2 | 118.3 | 0 | 0 | 111 | K18 L19 Q24 K25 R26 | K18-E22 PolarHBondContact O-N 3.1Å; L19-E22 WeakPolarHBondContact O-CB 3.43Å; L19-E22 PolarHBondContact O-N 2.83Å; E22-Q24 PolarHBondContact O-N 3.42Å; E22-K25 PolarHBondContact O-N 3.19Å; E22-R26 WeakPolarHBondContact O-CG 3.45Å; E22-R26 PolarHBondContact O-N 3.19Å; E22-R26 IonicContact OE2-CZ 3.3Å; E22-R26 VanDerWaalsContact OE2-CZ 3.3Å; E22-R26 IonicContact OE2-NE 2.91Å; E22-R26 PolarHBondContact OE2-NE 3.34Å; E22-R26 IonicContact OE2-NH2 2.79Å; E22-R26 PolarHBondContact OE2-NH2 2.82Å |
| 23 | Q | 74.8 | Confident | 63.7 | Low | 112 Ų | 112 | 138.5 Ų | 138.5 | 52% | 0.523 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.3 | -43.8 | -179.1 | -76.3 | -177.5 | -28.8 | 0 | 0 | 112.5 | L19 Q20 K25 R26 R27 | L19-Q23 PolarHBondContact O-N 2.91Å; Q20-Q23 PolarHBondContact O-N 3.23Å; Q23-K25 PolarHBondContact O-N 3.12Å; Q23-R26 PolarHBondContact O-N 2.68Å; Q23-R27 WeakPolarHBondContact O-CG 3.41Å; Q23-R27 PolarHBondContact O-N 2.76Å |
| 24 | Q | 74.7 | Confident | 63.7 | Low | 146 Ų | 146 | 140.2 Ų | 140.2 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.6 | -33.8 | -179.7 | -164.5 | 156.3 | -15.2 | 0 | 0 | 112 | Q20 E22 R26 R27 S28 | Q20-Q24 WeakPolarHBondContact O-CB 3.48Å; Q20-Q24 PolarHBondContact O-N 2.92Å; E22-Q24 PolarHBondContact O-N 3.42Å; Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R27 PolarHBondContact O-N 2.97Å; Q24-S28 PolarHBondContact O-N 2.94Å; Q24-S28 PolarHBondContact O-OG 3.11Å |
| 25 | K | 75 | Confident | 63.6 | Low | 135 Ų | 135 | 139.9 Ų | 139.9 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.2 | -24 | 172.1 | -172.8 | 172.6 | -177.4 | 176.3 | 0 | 113.7 | S21 E22 Q23 | S21-K25 WeakPolarHBondContact O-CB 3.47Å; S21-K25 PolarHBondContact O-N 3.16Å; S21-K25 VanDerWaalsContact O-N 3.11Å; E22-K25 PolarHBondContact O-N 3.19Å; Q23-K25 PolarHBondContact O-N 3.12Å |
| 26 | R | 69.4 | Low | 63.4 | Low | 159 Ų | 159 | 135.5 Ų | 135.5 | 60% | 0.6 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.4 | -48 | 168.5 | -71 | 175.7 | -173.6 | -128.6 | 2.2 | 111.1 | E22 Q23 Q24 S28 R29 Q30 | E22-R26 WeakPolarHBondContact O-CG 3.45Å; E22-R26 PolarHBondContact O-N 3.19Å; E22-R26 IonicContact OE2-CZ 3.3Å; E22-R26 VanDerWaalsContact OE2-CZ 3.3Å; E22-R26 IonicContact OE2-NE 2.91Å; E22-R26 PolarHBondContact OE2-NE 3.34Å; E22-R26 IonicContact OE2-NH2 2.79Å; E22-R26 PolarHBondContact OE2-NH2 2.82Å; Q23-R26 PolarHBondContact O-N 2.68Å; Q24-R26 VanDerWaalsContact C-N 3.34Å; R26-S28 PolarHBondContact O-N 3.39Å; R26-R29 PolarHBondContact O-N 2.89Å; R26-R29 VanDerWaalsContact O-N 3.1Å; R26-Q30 PolarHBondContact O-N 2.8Å |
| 27 | R | 71.5 | Confident | 63.1 | Low | 192 Ų | 192 | 129.3 Ų | 129.3 | 73% | 0.725 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -59.5 | -45.4 | 179.3 | -67.3 | -177.9 | 92.4 | 178.9 | 6.5 | 112.2 | Q23 Q24 R29 Q30 T31 | Q23-R27 WeakPolarHBondContact O-CG 3.41Å; Q23-R27 PolarHBondContact O-N 2.76Å; Q24-R27 PolarHBondContact O-N 2.97Å; R27-R29 PolarHBondContact O-N 2.91Å; R27-Q30 PolarHBondContact O-N 3.25Å; R27-Q30 VanDerWaalsContact O-N 3.14Å; R27-T31 PolarHBondContact O-N 3.25Å |
| 28 | S | 65.8 | Low | 62.8 | Low | 71 Ų | 71 | 125.4 Ų | 125.4 | 50% | 0.497 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.1 | -12.2 | 178.2 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | Q24 R26 | Q24-S28 PolarHBondContact O-N 2.94Å; Q24-S28 PolarHBondContact O-OG 3.11Å; R26-S28 PolarHBondContact O-N 3.39Å |
| 29 | R | 62.9 | Low | 62.5 | Low | 189 Ų | 189 | 124.5 Ų | 124.5 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88.3 | -27 | 170.9 | -81.6 | -176.9 | 157 | -157.3 | -9.9 | 113.3 | R26 R27 T31 | R26-R29 PolarHBondContact O-N 2.89Å; R26-R29 VanDerWaalsContact O-N 3.1Å; R27-R29 PolarHBondContact O-N 2.91Å; R29-T31 VanDerWaalsContact C-N 3.34Å |
| 30 | Q | 60.3 | Low | 62.1 | Low | 160 Ų | 160 | 128 Ų | 128 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.9 | -18.6 | 176.3 | -73.4 | 178.9 | -68.1 | 0 | 0 | 113.3 | R26 R27 | R26-Q30 PolarHBondContact O-N 2.8Å; R27-Q30 PolarHBondContact O-N 3.25Å; R27-Q30 VanDerWaalsContact O-N 3.14Å |
| 31 | T | 60.5 | Low | 61.3 | Low | 121 Ų | 121 | 129.6 Ų | 129.6 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 11.6 | 179.3 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | R27 R29 | R27-T31 PolarHBondContact O-N 3.25Å; R29-T31 VanDerWaalsContact C-N 3.34Å |
| 32 | A | 58.8 | Low | 60.6 | Low | 82 Ų | 82 | 133.5 Ų | 133.5 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -121.7 | 6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 33 | S | 49.4 | Very low | 59.4 | Low | 85 Ų | 85 | 134.2 Ų | 134.2 | 59% | 0.594 | 70% | 0.703 | S | S | * | * | trans | -144.8 | 96.7 | 176.5 | 57.3 | 0 | 0 | 0 | 0 | 110.1 | P35 | S33-P35 VanDerWaalsContact O-CD 3.25Å; S33-P35 WeakPolarHBondContact O-CD 3.41Å | ||
| 34 | V | 52.6 | Low | 58.1 | Low | 144 Ų | 144 | 134.7 Ų | 134.7 | 87% | 0.873 | 71% | 0.713 | S | S | * | * | trans | -100.3 | 95.4 | 164.5 | 177.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 35 | P | 54.8 | Low | 56.7 | Low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | trans | -69.5 | 145.1 | 162.6 | 31.2 | -32.4 | 0 | 0 | 0 | 109.1 | S33 | S33-P35 VanDerWaalsContact O-CD 3.25Å; S33-P35 WeakPolarHBondContact O-CD 3.41Å | ||
| 36 | S | 51.4 | Low | 55.9 | Low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | -68.3 | 150.6 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 37 | S | 51.8 | Low | 55.3 | Low | 87 Ų | 87 | 133.1 Ų | 133.1 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | 4.8 | 145 | 160.3 | -127.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 38 | D | 53.7 | Low | 54.3 | Low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | 91.7 | 144.8 | 149.8 | -45.8 | -29.7 | 0 | 0 | 0 | 119.1 | ||||
| 39 | D | 54.7 | Low | 53.7 | Low | 158 Ų | 158 | 136.9 Ų | 136.9 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | 75.2 | 117.1 | 166 | -55.3 | -26.4 | 0 | 0 | 0 | 123.2 | ||||
| 40 | E | 56.2 | Low | 53 | Low | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | 62.4 | 93.8 | 150.7 | -55.4 | -152.6 | 126.6 | 0 | 0 | 122.7 | ||||
| 41 | E | 50 | Low | 52.3 | Low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -11 | 120.6 | 133.9 | -175.6 | -179.9 | 172.4 | 0 | 0 | 118.2 | V43 | E41-V43 HydrophobicContact CG-CG2 4.24Š| ||
| 42 | I | 51 | Low | 51.4 | Low | 155 Ų | 155 | 143.7 Ų | 143.7 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | trans | -131.4 | 110.6 | 138.9 | -68.6 | -173.9 | 0 | 0 | 0 | 108.6 | V44 | I42-V44 HydrophobicContact CG2-CG2 4Š| ||
| 43 | V | 49.3 | Very low | 50.9 | Low | 108 Ų | 108 | 147.8 Ų | 147.8 | 66% | 0.655 | 78% | 0.779 | S | S | * | * | trans | -88.5 | 123.4 | 168 | 176.1 | 0 | 0 | 0 | 0 | 109.2 | E41 T45 | E41-V43 HydrophobicContact CG-CG2 4.24Å; V43-T45 HydrophobicContact CG1-CG2 4.27Å | ||
| 44 | V | 46.9 | Very low | 50.7 | Low | 122 Ų | 122 | 152.2 Ų | 152.2 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -122.4 | 106.6 | 162.2 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | I42 | I42-V44 HydrophobicContact CG2-CG2 4Š| ||
| 45 | T | 45.6 | Very low | 50.4 | Low | 109 Ų | 109 | 153.4 Ų | 153.4 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 136.3 | 173.5 | 41.1 | 0 | 0 | 0 | 0 | 110.6 | V43 | V43-T45 HydrophobicContact CG1-CG2 4.27Š| ||
| 46 | V | 58.6 | Low | 49.7 | Very low | 123 Ų | 123 | 153 Ų | 153 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | -97.2 | 118.9 | 160.1 | 177 | 0 | 0 | 0 | 0 | 106.1 | D48 | V46-D48 PolarHBondContact O-N 3.49Š| ||
| 47 | E | 56.7 | Low | 49.5 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -83 | 106.7 | 175.7 | -65.3 | 174.9 | 138.2 | 0 | 0 | 108.7 | E49 | E47-E49 PolarHBondContact O-N 3.43Š| ||
| 48 | D | 49.3 | Very low | 49 | Very low | 151 Ų | 151 | 163.1 Ų | 163.1 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -81.8 | 98.6 | 168.1 | -76.2 | -50.4 | 0 | 0 | 0 | 108.9 | V46 E50 | V46-D48 PolarHBondContact O-N 3.49Å; D48-E50 PolarHBondContact O-N 2.85Å; D48-E50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | E | 52.6 | Low | 48.7 | Very low | 192 Ų | 192 | 168.2 Ų | 168.2 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 101.7 | 170.7 | -87.9 | -85 | 108.4 | 0 | 0 | 110.1 | E47 | E47-E49 PolarHBondContact O-N 3.43Š| ||
| 50 | E | 48.6 | Very low | 48.3 | Very low | 180 Ų | 180 | 170.4 Ų | 170.4 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -77 | 136.9 | -175.3 | -169.7 | 173.8 | -150 | 0 | 0 | 112.8 | D48 R52 | D48-E50 PolarHBondContact O-N 2.85Å; D48-E50 VanDerWaalsContact O-N 3.12Å; E50-R52 PolarHBondContact O-N 3.19Å | ||
| 51 | E | 46.7 | Very low | 47.9 | Very low | 188 Ų | 188 | 169.8 Ų | 169.8 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -66.6 | 115.1 | -178 | -65.8 | -173.5 | 120.5 | 0 | 0 | 111.9 | E53 | E51-E53 VanDerWaalsContact C-N 3.3Å; E51-E53 PolarHBondContact O-N 3.03Å | ||
| 52 | R | 41.5 | Very low | 47.7 | Very low | 244 Ų | 244 | 165.1 Ų | 165.1 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -70.8 | 79.8 | 172.5 | -80.5 | -171.5 | 173.3 | -113.1 | 1.7 | 112.4 | E50 Q54 | E50-R52 PolarHBondContact O-N 3.19Å; R52-Q54 PolarHBondContact O-N 3.25Å | ||
| 53 | E | 48.1 | Very low | 47.4 | Very low | 168 Ų | 168 | 170.1 Ų | 170.1 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -63.2 | 129.7 | 169.2 | -170.2 | 176.3 | -158.7 | 0 | 0 | 111.2 | E51 | E51-E53 VanDerWaalsContact C-N 3.3Å; E51-E53 PolarHBondContact O-N 3.03Å | ||
| 54 | Q | 45.1 | Very low | 47.2 | Very low | 179 Ų | 179 | 170.2 Ų | 170.2 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -92.8 | 104.8 | 177.9 | -64.7 | -175.1 | 17.3 | 0 | 0 | 110.8 | R52 | R52-Q54 PolarHBondContact O-N 3.25Š| ||
| 55 | H | 46.1 | Very low | 47.6 | Very low | 168 Ų | 168 | 171.5 Ų | 171.5 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | trans | -135.9 | 100.8 | 175.1 | -124.9 | 72.5 | 0 | 0 | 0 | 114.2 | ||||
| 56 | P | 40.1 | Very low | 48.2 | Very low | 102 Ų | 102 | 172 Ų | 172 | 66% | 0.662 | 82% | 0.817 | S | S | * | * | trans | -104.8 | 119.8 | 176.7 | 34.3 | -26.9 | 0 | 0 | 0 | 112.8 | ||||
| 57 | K | 47 | Very low | 48 | Very low | 187 Ų | 187 | 172 Ų | 172 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | 170.1 | 131.9 | 129.9 | -91.4 | 148.5 | -163 | 166.3 | 0 | 115.9 | |||||
| 58 | R | 42.2 | Very low | 47.5 | Very low | 226 Ų | 226 | 166.8 Ų | 166.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | 68.4 | 101.6 | 137.1 | -68.1 | 173.5 | 157.3 | -160.4 | -5.2 | 120.9 | ||||
| 59 | R | 45.7 | Very low | 47.5 | Very low | 243 Ų | 243 | 166.6 Ų | 166.6 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | 150.9 | 157.4 | 116.5 | -85.8 | 170.6 | 167.2 | -177.1 | -5 | 110 | |||||
| 60 | R | 47.9 | Very low | 47.2 | Very low | 204 Ų | 204 | 164.3 Ų | 164.3 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | cis | -173.8 | 155.4 | -37.3 | -150.7 | -175.8 | -169.8 | -162.8 | 2.5 | 105 | ||||
| 61 | H | 47.5 | Very low | 47 | Very low | 176 Ų | 176 | 165.2 Ų | 165.2 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | trans | 73.6 | 139.1 | -179.6 | -38.9 | -71.9 | 0 | 0 | 0 | 114.7 | ||||
| 62 | G | 45.4 | Very low | 47.3 | Very low | 69 Ų | 69 | 164.3 Ų | 164.3 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | 168.6 | 157.3 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 63 | R | 45.6 | Very low | 47.6 | Very low | 259 Ų | 259 | 158 Ų | 158 | 98% | 0.977 | 80% | 0.801 | S | S | * | * | trans | 66 | 147.5 | -173 | -79.8 | 177.3 | 165.9 | -174.1 | -5.9 | 114.7 | ||||
| 64 | S | 44.8 | Very low | 47.4 | Very low | 110 Ų | 110 | 158 Ų | 158 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | cis | -146.2 | 154.6 | -8.6 | -165.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 65 | L | 54.2 | Low | 47.1 | Very low | 149 Ų | 149 | 155.6 Ų | 155.6 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 167.9 | 162.7 | -87.9 | 164.4 | 0 | 0 | 0 | 109.8 | ||||
| 66 | P | 58.9 | Low | 47 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | cis | -137 | 179 | 41.8 | 36.4 | -14.2 | 0 | 0 | 0 | 117.7 | ||||
| 67 | P | 53.3 | Low | 47 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -109.5 | 175.4 | -171.5 | 41.9 | -34.1 | 0 | 0 | 0 | 115.1 | ||||
| 68 | G | 47.2 | Very low | 47.3 | Very low | 65 Ų | 65 | 149.6 Ų | 149.6 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | 179.6 | 105.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 69 | N | 49.8 | Very low | 47.6 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 42.3 | 126.3 | 145.6 | -50.9 | 8.5 | 0 | 0 | 0 | 122.3 | ||||
| 70 | D | 45.4 | Very low | 47.6 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | 34.2 | 118.2 | 124.2 | -40.1 | -50.8 | 0 | 0 | 0 | 120.8 | |||||
| 71 | E | 44.6 | Very low | 47.8 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | -165.4 | 171.4 | 111.1 | -105.1 | -169.4 | 122.6 | 0 | 0 | 111.9 | |||||
| 72 | L | 52.8 | Low | 47.7 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -110.7 | 162.7 | -163.5 | -77.6 | -175.5 | 0 | 0 | 0 | 115.4 | ||||
| 73 | P | 47.5 | Very low | 47.7 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -97.4 | 157.1 | -166.8 | 38.1 | -36.4 | 0 | 0 | 0 | 115.5 | ||||
| 74 | L | 43.9 | Very low | 47.7 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -151.3 | 153.1 | 170.3 | -71.8 | 178.7 | 0 | 0 | 0 | 108.5 | ||||
| 75 | D | 38.7 | Very low | 48 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | cis | -170.4 | 179.9 | -18.8 | -171 | 3.9 | 0 | 0 | 0 | 106.9 | ||||
| 76 | L | 44.6 | Very low | 47.7 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 72.8 | 146 | 165 | -51.3 | 156.9 | 0 | 0 | 0 | 115.4 | ||||
| 77 | S | 39.8 | Very low | 46.6 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | cis | -168.4 | 166.2 | -13.1 | -119.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 78 | S | 53.1 | Low | 46.1 | Very low | 83 Ų | 83 | 141.7 Ų | 141.7 | 58% | 0.58 | 79% | 0.788 | S | S | * | * | cis | -161.7 | 155.9 | -5.4 | -125.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 79 | K | 50 | Low | 45.9 | Very low | 192 Ų | 192 | 146 Ų | 146 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 23.9 | 125.6 | 146.3 | -58.2 | 165.1 | -176.2 | 168.2 | 0 | 120.5 | ||||
| 80 | K | 45 | Very low | 46.3 | Very low | 207 Ų | 207 | 145 Ų | 145 | 90% | 0.9 | 79% | 0.792 | S | S | * | * | -163.3 | 138.2 | 104.5 | -162.2 | 84.1 | -179.1 | -162.6 | 0 | 113 | |||||
| 81 | A | 51.6 | Low | 46.6 | Very low | 86 Ų | 86 | 144 Ų | 144 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -47.9 | 157.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 82 | P | 45.6 | Very low | 46.7 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -94.2 | 170.1 | 169.7 | 39.4 | -35.6 | 0 | 0 | 0 | 113.7 | ||||
| 83 | S | 45.9 | Very low | 47 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -134.5 | 133.4 | 166.8 | 59.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 84 | S | 45.4 | Very low | 46.9 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -77.5 | 147.6 | -177.1 | 173.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 85 | V | 50.5 | Low | 47.5 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | -159.6 | 126.8 | 129.8 | -99 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 86 | K | 48.9 | Very low | 47.8 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 66.7 | 84.3 | 137.2 | -64.2 | 172.8 | -178.7 | 176.9 | 0 | 120.5 | ||||
| 87 | L | 35.7 | Very low | 48.3 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -24.4 | 137.9 | 133.9 | 178.2 | 72.7 | 0 | 0 | 0 | 115.4 | ||||
| 88 | F | 41.8 | Very low | 48.7 | Very low | 199 Ų | 199 | 138.4 Ų | 138.4 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | trans | -150.6 | 134 | 154.9 | -140.2 | -94.4 | 0 | 0 | 0 | 111.1 | ||||
| 89 | Q | 43 | Very low | 48 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -128.8 | 141.8 | 170.6 | -85.9 | -166 | -22.6 | 0 | 0 | 109.8 | ||||
| 90 | P | 58 | Low | 48.2 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 116.9 | 163.5 | 33.2 | -26.2 | 0 | 0 | 0 | 111 | ||
| 91 | T | 51.7 | Low | 48.2 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 141.6 | 175.4 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | P93 | T91-P93 WeakPolarHBondContact O-CD 3.33Š|
| 92 | L | 46.8 | Very low | 48.2 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 121.6 | 168.1 | -80.1 | 159.2 | 0 | 0 | 0 | 111 | ||
| 93 | P | 59.6 | Low | 48.4 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 118.7 | 167.1 | 32.4 | -29.4 | 0 | 0 | 0 | 110.7 | T91 | T91-P93 WeakPolarHBondContact O-CD 3.33Š|
| 94 | T | 45.4 | Very low | 48.5 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78 | 133.4 | 167.3 | -61.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 95 | S | 57.1 | Low | 49 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -146.8 | 132.2 | 158.5 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 96 | A | 44.5 | Very low | 48.8 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -108.2 | 143.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 97 | S | 54 | Low | 49.4 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -152.3 | 141.1 | 157.2 | -159.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 98 | L | 49.7 | Very low | 49.8 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | -0.1 | 128.4 | 164.9 | -80.1 | 49 | 0 | 0 | 0 | 119.5 | ||||
| 99 | W | 37.7 | Very low | 50.7 | Low | 216 Ų | 216 | 135 Ų | 135 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -70.1 | 152 | 152.5 | -73.5 | 52.9 | 0 | 0 | 0 | 111.1 | H101 | W99-H101 AromaticContact CE3-CD2 3.98Å; W99-H101 AromaticContact CE3-NE2 3.93Å; W99-H101 AromaticContact CZ3-NE2 3.62Å | ||
| 100 | P | 53.9 | Low | 51.5 | Low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -129.2 | 119.7 | 139.4 | 25.5 | -8.5 | 0 | 0 | 0 | 112.4 | ||||
| 101 | H | 45.6 | Very low | 51.7 | Low | 155 Ų | 155 | 132.3 Ų | 132.3 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -66.8 | 150 | 152.2 | -88.4 | -70.8 | 0 | 0 | 0 | 108.8 | W99 | W99-H101 AromaticContact CE3-CD2 3.98Å; W99-H101 AromaticContact CE3-NE2 3.93Å; W99-H101 AromaticContact CZ3-NE2 3.62Å | ||
| 102 | P | 52.2 | Low | 51.9 | Low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | -151.8 | 164.3 | 88.8 | 39.8 | -21.5 | 0 | 0 | 0 | 117.7 | |||||
| 103 | S | 49.5 | Very low | 52.1 | Low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 53.4 | 108.7 | 142.7 | -60.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 104 | A | 46.6 | Very low | 51.4 | Low | 97 Ų | 97 | 139.3 Ų | 139.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | 49.4 | 120.2 | 118.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 105 | L | 56.3 | Low | 51.7 | Low | 175 Ų | 175 | 138.6 Ų | 138.6 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | -143.2 | 145.9 | 129.1 | -108.5 | 173.9 | 0 | 0 | 0 | 109.6 | |||||
| 106 | M | 47.4 | Very low | 51.6 | Low | 180 Ų | 180 | 142 Ų | 142 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -98.6 | 124 | -176.9 | -62.3 | 173.1 | 68.5 | 0 | 0 | 111.1 | ||||
| 107 | T | 61.6 | Low | 52.2 | Low | 147 Ų | 147 | 147.6 Ų | 147.6 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -142.5 | 140.1 | 158.7 | 42.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 108 | S | 43.5 | Very low | 52.6 | Low | 120 Ų | 120 | 146.3 Ų | 146.3 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -99.3 | 117.6 | -177.2 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 109 | A | 60.4 | Low | 52.9 | Low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -146 | 119.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P111 | A109-P111 WeakPolarHBondContact O-CD 3.37Š| ||
| 110 | V | 59.1 | Low | 53.7 | Low | 125 Ų | 125 | 143.1 Ų | 143.1 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | -88.1 | 117.7 | -176.9 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | L112 | V110-L112 PolarHBondContact O-N 3.47Š| ||
| 111 | P | 63.4 | Low | 53.8 | Low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | trans | -73.2 | 126.8 | 174.9 | 29.4 | -32.8 | 0 | 0 | 0 | 110.4 | A109 F113 | A109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-F113 VanDerWaalsContact C-N 3.27Å; P111-F113 PolarHBondContact O-N 2.62Å | ||
| 112 | L | 55 | Low | 54.5 | Low | 173 Ų | 173 | 141.3 Ų | 141.3 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 76.1 | 178.8 | -68.4 | 173.8 | 0 | 0 | 0 | 111.6 | V110 F114 | V110-L112 PolarHBondContact O-N 3.47Å; L112-F114 PolarHBondContact O-N 3.2Å | ||
| 113 | F | 50.8 | Low | 54.9 | Low | 197 Ų | 197 | 143.8 Ų | 143.8 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -80.5 | 52.9 | -175.1 | -147 | -89.9 | 0 | 0 | 0 | 112.9 | P111 | P111-F113 VanDerWaalsContact C-N 3.27Å; P111-F113 PolarHBondContact O-N 2.62Å | ||
| 114 | F | 45.9 | Very low | 55.6 | Low | 191 Ų | 191 | 143.7 Ų | 143.7 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -144.9 | 62.7 | -168.6 | -122.7 | -83.5 | 0 | 0 | 0 | 113.9 | L112 | L112-F114 PolarHBondContact O-N 3.2Š| ||
| 115 | S | 52.5 | Low | 55.9 | Low | 126 Ų | 126 | 149.8 Ų | 149.8 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -163.5 | 53.1 | 166.7 | -84.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 116 | F | 55.1 | Low | 56 | Low | 191 Ų | 191 | 148.3 Ų | 148.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -148.5 | 54.8 | 164.7 | -153.3 | -102.9 | 0 | 0 | 0 | 114.7 | ||||
| 117 | Y | 57 | Low | 56.2 | Low | 209 Ų | 209 | 150.2 Ų | 150.2 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -88.7 | 117.6 | 157.9 | -97.2 | -91.9 | 0 | 0 | 0 | 109 | ||||
| 118 | P | 60.8 | Low | 55.9 | Low | 80 Ų | 80 | 147.2 Ų | 147.2 | 52% | 0.519 | 79% | 0.788 | S | S | . | * | trans | -68.1 | 142.5 | 171.2 | 29 | -33.4 | 0 | 0 | 0 | 109.5 | W120 | P118-W120 PolarHBondContact O-N 3.47Å; P118-W120 PolarHBondContact O-NE1 2.84Å | ||
| 119 | A | 57.2 | Low | 56.1 | Low | 91 Ų | 91 | 146.3 Ų | 146.3 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -77.6 | 109.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 120 | W | 54.5 | Low | 55.9 | Low | 212 Ų | 212 | 146.2 Ų | 146.2 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | trans | -103.3 | 3.9 | 163.3 | 22 | -60.3 | 0 | 0 | 0 | 111.9 | P118 T122 | P118-W120 PolarHBondContact O-N 3.47Å; P118-W120 PolarHBondContact O-NE1 2.84Å; W120-T122 PolarHBondContact O-N 2.96Å | ||
| 121 | S | 55.2 | Low | 55.6 | Low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -90.4 | 41 | -168.1 | -44.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 122 | T | 60 | Low | 54.5 | Low | 128 Ų | 128 | 151.5 Ų | 151.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -151.3 | 71.8 | 176 | 9.9 | 0 | 0 | 0 | 0 | 112.7 | W120 | W120-T122 PolarHBondContact O-N 2.96Š| ||
| 123 | L | 61 | Low | 54.6 | Low | 165 Ų | 165 | 147.9 Ų | 147.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -131.2 | 124.5 | 161.2 | -76.1 | 175.7 | 0 | 0 | 0 | 109.5 | ||||
| 124 | P | 63.8 | Low | 54.2 | Low | 106 Ų | 106 | 141.5 Ų | 141.5 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -80.8 | 136.9 | -173.1 | 33.6 | -36.1 | 0 | 0 | 0 | 111.7 | L126 | P124-L126 VanDerWaalsContact C-N 3.26Å; P124-L126 HydrophobicContact CB-CD2 4.09Å; P124-L126 PolarHBondContact O-N 3.13Å | ||
| 125 | Y | 53.1 | Low | 54.4 | Low | 225 Ų | 225 | 138.4 Ų | 138.4 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -82.2 | 57.9 | -170.1 | -153 | -88.7 | 0 | 0 | 0 | 112.9 | Y127 | Y125-Y127 PolarHBondContact O-N 3.29Š| ||
| 126 | L | 58.3 | Low | 54.2 | Low | 144 Ų | 144 | 139.5 Ų | 139.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -97.5 | 72.6 | -172.9 | -87.6 | -73 | 0 | 0 | 0 | 112 | P124 | P124-L126 VanDerWaalsContact C-N 3.26Å; P124-L126 HydrophobicContact CB-CD2 4.09Å; P124-L126 PolarHBondContact O-N 3.13Å | ||
| 127 | Y | 51.1 | Low | 54.4 | Low | 220 Ų | 220 | 138.5 Ų | 138.5 | 86% | 0.863 | 79% | 0.793 | S | S | * | * | trans | -92 | 88.2 | 162.6 | -174.9 | -96.1 | 0 | 0 | 0 | 109.4 | Y125 | Y125-Y127 PolarHBondContact O-N 3.29Š| ||
| 128 | A | 56.5 | Low | 53.6 | Low | 83 Ų | 83 | 133.3 Ų | 133.3 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -123.9 | 123.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 129 | A | 46.4 | Very low | 53.6 | Low | 101 Ų | 101 | 135.2 Ų | 135.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -83.6 | 128.4 | -175 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 130 | A | 56.8 | Low | 53.1 | Low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -139.6 | 140.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 131 | P | 53.4 | Low | 52.4 | Low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -77.6 | 161.2 | -173.8 | 31.2 | -35.5 | 0 | 0 | 0 | 113.6 | A133 | P131-A133 PolarHBondContact O-N 3.11Š| ||
| 132 | F | 41.1 | Very low | 52 | Low | 207 Ų | 207 | 133.8 Ų | 133.8 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | trans | -69.5 | 115.8 | -177.5 | 174.5 | -93.2 | 0 | 0 | 0 | 112.7 | ||||
| 133 | A | 55.3 | Low | 51.5 | Low | 98 Ų | 98 | 135.1 Ų | 135.1 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -132.9 | 122.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | P131 | P131-A133 PolarHBondContact O-N 3.11Š| ||
| 134 | G | 43.2 | Very low | 50.5 | Low | 62 Ų | 62 | 134.4 Ų | 134.4 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | -91.1 | 136.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 135 | S | 51.1 | Low | 50 | Low | 127 Ų | 127 | 135 Ų | 135 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -144.1 | 138.9 | 162.2 | -84.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 136 | V | 47.3 | Very low | 49.3 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | -108.9 | 111.2 | -172.3 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 137 | L | 58.5 | Low | 48.9 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -152 | 130.5 | 165 | -157.2 | 66 | 0 | 0 | 0 | 111.4 | ||||
| 138 | S | 41.6 | Very low | 48.5 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -107.5 | 127.8 | 172 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 139 | P | 59.4 | Low | 47.8 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -73.5 | 158.9 | 164.8 | -14.5 | 30.7 | 0 | 0 | 0 | 111.5 | ||||
| 140 | V | 47.3 | Very low | 47.8 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -112.7 | 157.4 | 179.7 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 141 | N | 40.8 | Very low | 47.3 | Very low | 163 Ų | 163 | 138 Ų | 138 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -48 | 137.9 | 172.4 | -70 | -12.3 | 0 | 0 | 0 | 112.9 | ||||
| 142 | A | 45.3 | Very low | 46.8 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | trans | -153.2 | 156.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 143 | L | 50.6 | Low | 47.1 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | 68.1 | 77.2 | 156.1 | -65.4 | 151.7 | 0 | 0 | 0 | 118.1 | ||||
| 144 | N | 38.7 | Very low | 46.3 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -62.4 | 130.9 | 142.6 | 154.1 | 93.4 | 0 | 0 | 0 | 110.2 | ||||
| 145 | T | 53.5 | Low | 46.6 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -128.4 | 135.3 | 172.6 | -50.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 146 | R | 38.6 | Very low | 46.3 | Very low | 215 Ų | 215 | 136.2 Ų | 136.2 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -98.3 | -170.1 | -173.7 | -164.9 | 172 | 177.4 | 175.8 | -1.4 | 110.4 | ||||
| 147 | H | 50.7 | Low | 46.8 | Very low | 151 Ų | 151 | 135 Ų | 135 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 85.4 | 140.7 | 176.2 | -53.5 | -87.9 | 0 | 0 | 0 | 115.5 | ||||
| 148 | Q | 43 | Very low | 45.7 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | cis | -159 | 177.4 | -27.2 | -128.4 | 159.7 | -9.2 | 0 | 0 | 110.6 | ||||
| 149 | L | 40.9 | Very low | 46.3 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -92.8 | -172.7 | -177.2 | -127.4 | 67.8 | 0 | 0 | 0 | 110.9 | ||||
| 150 | P | 47.5 | Very low | 45.6 | Very low | 94 Ų | 94 | 137 Ų | 137 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | cis | -143.8 | -168.9 | -8.6 | 40.6 | -18.9 | 0 | 0 | 0 | 117.4 | ||||
| 151 | T | 44.6 | Very low | 45.6 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 65.4 | 162 | 156 | 66.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 152 | T | 44.9 | Very low | 45.8 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | cis | -139.6 | 166.4 | 12.7 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 153 | V | 47.2 | Very low | 45.6 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | 14.2 | 155.8 | 145.8 | -51 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 154 | S | 38.5 | Very low | 45.4 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -170.3 | 175.3 | -5.1 | 159.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 155 | S | 48.9 | Very low | 45.7 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 99.7 | 120 | 156.4 | 74.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 156 | S | 44 | Very low | 45.5 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -106.9 | 175.8 | 162.1 | -51 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 157 | P | 57.9 | Low | 45.7 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | -143.1 | 163.7 | 113.6 | 38.2 | -26.1 | 0 | 0 | 0 | 115.6 | |||||
| 158 | D | 35.9 | Very low | 45.4 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -73.2 | 161.5 | 173.9 | -62.5 | -83.5 | 0 | 0 | 0 | 114.6 | ||||
| 159 | I | 54.2 | Low | 45.6 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -147.1 | 138 | 148.3 | -93.1 | 130 | 0 | 0 | 0 | 109.2 | ||||
| 160 | S | 44.4 | Very low | 45.7 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -95.9 | 161.2 | -165.1 | -71.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 161 | P | 46.7 | Very low | 45.9 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -95 | 161.6 | -170.8 | 37.6 | -37.7 | 0 | 0 | 0 | 115.9 | ||||
| 162 | K | 46 | Very low | 46.2 | Very low | 200 Ų | 200 | 125.5 Ų | 125.5 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -157.1 | 158.6 | 169.9 | -84.5 | 175.4 | -177.4 | 168.5 | 0 | 110 | ||||
| 163 | S | 40.6 | Very low | 46.2 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | cis | 174.9 | 103.6 | -39.2 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 164 | S | 46.7 | Very low | 46.4 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -159.3 | 121.7 | 163 | -11.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 165 | L | 44.6 | Very low | 46.6 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | 62.6 | 120.6 | 83 | -64.7 | 178.9 | 0 | 0 | 0 | 112.5 | |||||
| 166 | L | 48.8 | Very low | 46.6 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | cis | -159.2 | 172.7 | 10.7 | -82.6 | 144.1 | 0 | 0 | 0 | 107.6 | ||||
| 167 | S | 44.7 | Very low | 47 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | -168.1 | 161.4 | -8.1 | -120.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 168 | S | 44.6 | Very low | 46.7 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 62.4 | 137 | 154 | -134.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 169 | A | 46 | Very low | 47.2 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | cis | -147.4 | 163.1 | 6.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 170 | S | 42.9 | Very low | 47.2 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -109.1 | -167.4 | 176 | -41.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 171 | P | 52 | Low | 47.7 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | cis | -122.9 | -164.7 | -7.6 | 39.4 | -18.6 | 0 | 0 | 0 | 111.7 | ||||
| 172 | S | 51.9 | Low | 48.1 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | cis | -156.7 | 167.7 | 22.9 | 54.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 173 | S | 44.5 | Very low | 47.8 | Very low | 114 Ų | 114 | 117 Ų | 117 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -101.2 | -165.8 | -177.4 | -26.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 174 | P | 50.1 | Low | 48.2 | Very low | 119 Ų | 119 | 119 Ų | 119 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -146.5 | 167 | 24.9 | 44.3 | -23.5 | 0 | 0 | 0 | 120.6 | ||||
| 175 | S | 43.1 | Very low | 48.3 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 53.8 | 119.9 | 140.7 | -161.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 176 | S | 48.9 | Very low | 48.1 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | -174 | 140.2 | 101.1 | 36.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 177 | S | 52.3 | Low | 47.6 | Very low | 116 Ų | 116 | 119 Ų | 119 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 2 | 143.5 | 163.6 | -49.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 178 | P | 51.5 | Low | 47.4 | Very low | 128 Ų | 128 | 119 Ų | 119 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -99.9 | 154 | 173.7 | 38.7 | -33.8 | 0 | 0 | 0 | 115 | ||||
| 179 | S | 47.2 | Very low | 47.6 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -159.6 | 140.3 | 165.6 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 180 | S | 54.8 | Low | 47.7 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 51.1 | 121.3 | 151.3 | -55.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 181 | P | 53.6 | Low | 47.8 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -91.1 | 135.7 | 169.3 | 35 | -31.4 | 0 | 0 | 0 | 113.4 | ||||
| 182 | P | 55.4 | Low | 47.5 | Very low | 113 Ų | 113 | 117 Ų | 117 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -93.3 | 110.2 | 170.3 | 33 | -29.4 | 0 | 0 | 0 | 111.9 | L184 | P182-L184 PolarHBondContact O-N 2.94Š| ||
| 183 | S | 40.8 | Very low | 47.4 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -79.7 | 97 | 169.9 | 56 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 184 | L | 48.3 | Very low | 47.8 | Very low | 141 Ų | 141 | 119.5 Ų | 119.5 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -136 | 129.3 | 177.9 | -71.7 | 176.2 | 0 | 0 | 0 | 112.1 | P182 | P182-L184 PolarHBondContact O-N 2.94Š| ||
| 185 | L | 49 | Very low | 47.7 | Very low | 157 Ų | 157 | 122.1 Ų | 122.1 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 46.8 | 93 | 150.5 | -46.3 | 177.6 | 0 | 0 | 0 | 116 | ||||
| 186 | A | 40 | Very low | 48.3 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | 53.3 | 85.5 | 73.7 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 187 | D | 37.8 | Very low | 48.6 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | -159.9 | 176 | 123.6 | -144.4 | -25.7 | 0 | 0 | 0 | 112.3 | |||||
| 188 | S | 41.9 | Very low | 48.8 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -84 | 117 | -160.8 | 48.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 189 | T | 48.7 | Very low | 49.5 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -142.3 | -30.1 | 171.2 | 50.7 | 0 | 0 | 0 | 0 | 116.3 | A191 A192 | T189-A191 VanDerWaalsContact C-N 3.25Å; T189-A191 PolarHBondContact O-N 2.73Å; T189-A191 VanDerWaalsContact O-N 3.07Å; T189-A192 PolarHBondContact O-N 3.36Å | ||
| 190 | T | 46.9 | Very low | 51.3 | Low | 133 Ų | 133 | 128.3 Ų | 128.3 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -12.5 | -165.9 | 53.1 | 0 | 0 | 0 | 0 | 115.9 | ||
| 191 | A | 45.9 | Very low | 53.1 | Low | 83 Ų | 83 | 128 Ų | 128 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -23.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | T189 T193 K194 | T189-A191 VanDerWaalsContact C-N 3.25Å; T189-A191 PolarHBondContact O-N 2.73Å; T189-A191 VanDerWaalsContact O-N 3.07Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 2.97Å; A191-K194 PolarHBondContact O-N 3.18Å |
| 192 | A | 44.3 | Very low | 55 | Low | 79 Ų | 79 | 126.1 Ų | 126.1 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -67.3 | -25.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T189 K194 H195 | T189-A192 PolarHBondContact O-N 3.36Å; A192-K194 PolarHBondContact O-N 2.93Å; A192-K194 VanDerWaalsContact O-N 3.15Å; A192-H195 PolarHBondContact O-N 2.96Å |
| 193 | T | 50.5 | Low | 56.8 | Low | 123 Ų | 123 | 123.8 Ų | 123.8 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -65.1 | -19.3 | -177.8 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | A191 H195 | A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 2.97Å; T193-H195 VanDerWaalsContact C-N 3.29Å; T193-H195 PolarHBondContact O-N 3.41Å |
| 194 | K | 53.5 | Low | 59.2 | Low | 154 Ų | 154 | 125.1 Ų | 125.1 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -68.8 | -22.8 | -175.4 | -139.1 | 169.4 | -172.7 | 174.9 | 0 | 113.5 | A191 A192 K197 | A191-K194 PolarHBondContact O-N 3.18Å; A192-K194 PolarHBondContact O-N 2.93Å; A192-K194 VanDerWaalsContact O-N 3.15Å; K194-K197 WeakPolarHBondContact O-CD 3.32Å; K194-K197 WeakPolarHBondContact O-CG 3.13Å |
| 195 | H | 48.1 | Very low | 61.5 | Low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -94.3 | -13.7 | -172.8 | -97.4 | -93.7 | 0 | 0 | 0 | 116.6 | A192 T193 K197 | A192-H195 PolarHBondContact O-N 2.96Å; T193-H195 VanDerWaalsContact C-N 3.29Å; T193-H195 PolarHBondContact O-N 3.41Å; H195-K197 PolarHBondContact O-N 3.35Å |
| 196 | R | 54 | Low | 63.7 | Low | 218 Ų | 218 | 125.4 Ų | 125.4 | 82% | 0.823 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 28.4 | 171.1 | -76.5 | -171.4 | 168.3 | -165.1 | -3.3 | 113.6 | A198 R199 | R196-A198 VanDerWaalsContact C-N 3.34Å; R196-R199 VanDerWaalsContact O-CG 3.31Å; R196-R199 WeakPolarHBondContact O-CG 3.33Å |
| 197 | K | 55.8 | Low | 66.4 | Low | 141 Ų | 141 | 124 Ų | 124 | 61% | 0.613 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -1.4 | 176.5 | -69.5 | -178 | -178 | -177.9 | 0 | 113.5 | K194 H195 R199 R204 | K194-K197 WeakPolarHBondContact O-CD 3.32Å; K194-K197 WeakPolarHBondContact O-CG 3.13Å; H195-K197 PolarHBondContact O-N 3.35Å; K197-R199 PolarHBondContact O-N 3.41Å; K197-R204 PolarHBondContact O-NH2 3.31Å |
| 198 | A | 56.1 | Low | 69.2 | Low | 87 Ų | 87 | 119.4 Ų | 119.4 | 72% | 0.719 | 64% | 0.638 | S | S | * | * | trans | -68.9 | 35 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113 | R196 N200 | R196-A198 VanDerWaalsContact C-N 3.34Å; A198-N200 PolarHBondContact O-N 3.26Å | ||
| 199 | R | 67.7 | Low | 71.9 | Confident | 177 Ų | 177 | 118.5 Ų | 118.5 | 67% | 0.668 | 63% | 0.626 | S | S | * | * | trans | -59.9 | 137.2 | 178 | -62.4 | -173.1 | 177.7 | -177.4 | -4 | 109.6 | R196 K197 R204 | R196-R199 VanDerWaalsContact O-CG 3.31Å; R196-R199 WeakPolarHBondContact O-CG 3.33Å; K197-R199 PolarHBondContact O-N 3.41Å; R199-R204 WeakPolarHBondContact O-CD 3.41Å; R199-R204 WeakPolarHBondContact O-CG 3.17Å; R199-R204 PolarHBondContact O-NE 3.14Å | ||
| 200 | N | 85 | Confident | 74.3 | Confident | 88 Ų | 88 | 115.6 Ų | 115.6 | 47% | 0.471 | 61% | 0.614 | S | S | . | * | trans | -35 | 134.8 | -173.2 | 176.8 | -30.1 | 0 | 0 | 0 | 113.5 | A198 V202 V203 R204 | A198-N200 PolarHBondContact O-N 3.26Å; N200-V202 PolarHBondContact O-N 3.36Å; N200-V202 VanDerWaalsContact OD1-CB 3.31Å; N200-V202 WeakPolarHBondContact OD1-CB 3.4Å; N200-V202 WeakPolarHBondContact OD1-CG2 3.5Å; N200-V202 PolarHBondContact OD1-N 2.97Å; N200-V203 HydrophobicContact CB-CB 4.32Å; N200-V203 HydrophobicContact CB-CG2 4Å; N200-V203 WeakPolarHBondContact O-CA 3.4Å; N200-V203 WeakPolarHBondContact O-CB 3.27Å; N200-V203 PolarHBondContact O-N 3.07Å; N200-R204 PolarHBondContact O-N 3.47Å | ||
| 201 | P | 90.8 | Very high | 76.7 | Confident | 103 Ų | 103 | 118.1 Ų | 118.1 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -55.9 | -32.8 | -179.8 | 23.5 | -34.8 | 0 | 0 | 0 | 114 | R204 R205 | P201-R204 WeakPolarHBondContact O-CB 3.25Å; P201-R204 PolarHBondContact O-N 2.87Å; P201-R205 PolarHBondContact O-N 3.5Å |
| 202 | V | 93.5 | Very high | 79.2 | Confident | 89 Ų | 89 | 118.2 Ų | 118.2 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.8 | -48.1 | 172.8 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | N200 R204 R205 M206 | N200-V202 PolarHBondContact O-N 3.36Å; N200-V202 VanDerWaalsContact OD1-CB 3.31Å; N200-V202 WeakPolarHBondContact OD1-CB 3.4Å; N200-V202 WeakPolarHBondContact OD1-CG2 3.5Å; N200-V202 PolarHBondContact OD1-N 2.97Å; V202-R204 VanDerWaalsContact C-N 3.29Å; V202-R204 PolarHBondContact O-N 3.4Å; V202-R205 CarbonylContact O-C 3.6Å; V202-R205 PolarHBondContact O-N 3.18Å; V202-R205 VanDerWaalsContact O-N 3.1Å; V202-M206 HydrophobicContact CG1-CG 4.4Å; V202-M206 HydrophobicContact CG1-SD 4.08Å; V202-M206 WeakPolarHBondContact O-CG 3.37Å; V202-M206 PolarHBondContact O-N 3.36Å |
| 203 | V | 93.3 | Very high | 81.8 | Confident | 64 Ų | 64 | 122.6 Ų | 122.6 | 39% | 0.388 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.2 | -37.1 | 176.7 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | N200 M206 V207 | N200-V203 HydrophobicContact CB-CB 4.32Å; N200-V203 HydrophobicContact CB-CG2 4Å; N200-V203 WeakPolarHBondContact O-CA 3.4Å; N200-V203 WeakPolarHBondContact O-CB 3.27Å; N200-V203 PolarHBondContact O-N 3.07Å; V203-M206 PolarHBondContact O-N 3.3Å; V203-V207 HydrophobicContact CG1-CG2 4.45Å; V203-V207 WeakPolarHBondContact O-CB 3.28Å; V203-V207 WeakPolarHBondContact O-CG2 3.31Å; V203-V207 PolarHBondContact O-N 2.98Å |
| 204 | R | 93 | Very high | 84.1 | Confident | 149 Ų | 149 | 120.4 Ų | 120.4 | 56% | 0.562 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.3 | -45.5 | 173.4 | -66.4 | 176.7 | 176.4 | -156.7 | -10 | 111.7 | K197 R199 N200 P201 V202 V207 A208 | K197-R204 PolarHBondContact O-NH2 3.31Å; R199-R204 WeakPolarHBondContact O-CD 3.41Å; R199-R204 WeakPolarHBondContact O-CG 3.17Å; R199-R204 PolarHBondContact O-NE 3.14Å; N200-R204 PolarHBondContact O-N 3.47Å; P201-R204 WeakPolarHBondContact O-CB 3.25Å; P201-R204 PolarHBondContact O-N 2.87Å; V202-R204 VanDerWaalsContact C-N 3.29Å; V202-R204 PolarHBondContact O-N 3.4Å; R204-V207 PolarHBondContact O-N 3.32Å; R204-A208 WeakPolarHBondContact O-CB 3.46Å; R204-A208 PolarHBondContact O-N 2.65Å |
| 205 | R | 96.2 | Very high | 86.3 | Confident | 182 Ų | 182 | 119 Ų | 119 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -43.1 | 175 | 176.9 | 176.5 | -94.9 | 158.5 | -9.7 | 111.7 | P201 V202 V207 A208 N209 | P201-R205 PolarHBondContact O-N 3.5Å; V202-R205 CarbonylContact O-C 3.6Å; V202-R205 PolarHBondContact O-N 3.18Å; V202-R205 VanDerWaalsContact O-N 3.1Å; R205-V207 PolarHBondContact O-N 3.44Å; R205-A208 PolarHBondContact O-N 3.34Å; R205-N209 WeakPolarHBondContact O-CB 3.21Å; R205-N209 PolarHBondContact O-N 2.72Å; R205-N209 PolarHBondContact O-OD1 2.72Å |
| 206 | M | 95.8 | Very high | 88.7 | Confident | 122 Ų | 122 | 113.7 Ų | 113.7 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.3 | -46.1 | 176.2 | -68.7 | 171.8 | 77.7 | 0 | 0 | 112.1 | V202 V203 N209 A210 | V202-M206 HydrophobicContact CG1-CG 4.4Å; V202-M206 HydrophobicContact CG1-SD 4.08Å; V202-M206 WeakPolarHBondContact O-CG 3.37Å; V202-M206 PolarHBondContact O-N 3.36Å; V203-M206 PolarHBondContact O-N 3.3Å; M206-N209 PolarHBondContact O-N 3.03Å; M206-A210 WeakPolarHBondContact O-CB 3.3Å; M206-A210 PolarHBondContact O-N 3.34Å |
| 207 | V | 95.8 | Very high | 90.8 | Very high | 73 Ų | 73 | 108.8 Ų | 108.8 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | V203 R204 R205 R211 | V203-V207 HydrophobicContact CG1-CG2 4.45Å; V203-V207 WeakPolarHBondContact O-CB 3.28Å; V203-V207 WeakPolarHBondContact O-CG2 3.31Å; V203-V207 PolarHBondContact O-N 2.98Å; R204-V207 PolarHBondContact O-N 3.32Å; R205-V207 PolarHBondContact O-N 3.44Å; V207-R211 VanDerWaalsContact O-CG 3.28Å; V207-R211 WeakPolarHBondContact O-CG 3Å; V207-R211 PolarHBondContact O-N 3.06Å |
| 208 | A | 96.7 | Very high | 92.8 | Very high | 52 Ų | 52 | 107.9 Ų | 107.9 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R204 R205 A210 R211 E212 | R204-A208 WeakPolarHBondContact O-CB 3.46Å; R204-A208 PolarHBondContact O-N 2.65Å; R205-A208 PolarHBondContact O-N 3.34Å; A208-A210 VanDerWaalsContact C-N 3.32Å; A208-A210 PolarHBondContact O-N 3.43Å; A208-R211 WeakPolarHBondContact O-CB 3.48Å; A208-R211 PolarHBondContact O-N 3.31Å; A208-E212 WeakPolarHBondContact O-CB 3.12Å; A208-E212 PolarHBondContact O-N 3.18Å |
| 209 | N | 98.4 | Very high | 94.8 | Very high | 83 Ų | 83 | 106.8 Ų | 106.8 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 177.6 | -67.5 | 5.5 | 0 | 0 | 0 | 112.3 | R205 M206 E212 R213 | R205-N209 WeakPolarHBondContact O-CB 3.21Å; R205-N209 PolarHBondContact O-N 2.72Å; R205-N209 PolarHBondContact O-OD1 2.72Å; M206-N209 PolarHBondContact O-N 3.03Å; N209-E212 PolarHBondContact O-N 2.56Å; N209-R213 WeakPolarHBondContact O-CG 3.49Å; N209-R213 PolarHBondContact O-N 2.67Å |
| 210 | A | 98.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M206 A208 C214 | M206-A210 WeakPolarHBondContact O-CB 3.3Å; M206-A210 PolarHBondContact O-N 3.34Å; A208-A210 VanDerWaalsContact C-N 3.32Å; A208-A210 PolarHBondContact O-N 3.43Å; A210-C214 PolarHBondContact O-N 2.99Å; A210-C214 VanDerWaalsContact O-N 3.13Å |
| 211 | R | 98.4 | Very high | 96.9 | Very high | 185 Ų | 185 | 102.5 Ų | 102.5 | 70% | 0.698 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -41.7 | 173 | -73.1 | 168 | 174.6 | -127.3 | -6.4 | 111.9 | V207 A208 C214 R215 | V207-R211 VanDerWaalsContact O-CG 3.28Å; V207-R211 WeakPolarHBondContact O-CG 3Å; V207-R211 PolarHBondContact O-N 3.06Å; A208-R211 WeakPolarHBondContact O-CB 3.48Å; A208-R211 PolarHBondContact O-N 3.31Å; R211-C214 WeakPolarHBondContact O-CB 3.47Å; R211-C214 PolarHBondContact O-N 3.2Å; R211-R215 PolarHBondContact O-N 3.39Å |
| 212 | E | 98.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 100.4 Ų | 100.4 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 179.3 | 179.2 | 54.9 | -161 | 0 | 0 | 112.1 | A208 N209 C214 R215 V216 | A208-E212 WeakPolarHBondContact O-CB 3.12Å; A208-E212 PolarHBondContact O-N 3.18Å; N209-E212 PolarHBondContact O-N 2.56Å; E212-C214 PolarHBondContact O-N 3.45Å; E212-R215 WeakPolarHBondContact O-CB 3.26Å; E212-R215 PolarHBondContact O-N 2.99Å; E212-R215 IonicContact OE1-CZ 2.79Å; E212-R215 IonicContact OE1-NE 3.39Å; E212-R215 PolarHBondContact OE1-NE 3.02Å; E212-R215 IonicContact OE1-NH2 3.55Å; E212-R215 PolarHBondContact OE1-NH2 3.42Å; E212-R215 IonicContact OE2-CZ 3.51Å; E212-R215 IonicContact OE2-NE 2.68Å; E212-R215 PolarHBondContact OE2-NE 2.94Å; E212-R215 IonicContact OE2-NH2 2.67Å; E212-V216 WeakPolarHBondContact O-CG2 3.1Å; E212-V216 PolarHBondContact O-N 3.36Å |
| 213 | R | 98.7 | Very high | 97.5 | Very high | 170 Ų | 170 | 98.3 Ų | 98.3 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.6 | -48.6 | 170.5 | -73.3 | 169.8 | -179.7 | 159.6 | -2.2 | 111.5 | N209 R215 V216 H217 | N209-R213 WeakPolarHBondContact O-CG 3.49Å; N209-R213 PolarHBondContact O-N 2.67Å; R213-R215 VanDerWaalsContact C-N 3.34Å; R213-R215 PolarHBondContact O-N 3.38Å; R213-V216 PolarHBondContact O-N 3.19Å; R213-V216 VanDerWaalsContact O-N 3.13Å; R213-H217 PolarHBondContact O-CD2 3Å; R213-H217 PolarHBondContact O-N 3.35Å |
| 214 | C | 98.6 | Very high | 97.6 | Very high | 77 Ų | 77 | 100 Ų | 100 | 52% | 0.52 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.4 | -43.7 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | A210 R211 E212 V216 H217 M218 | A210-C214 PolarHBondContact O-N 2.99Å; A210-C214 VanDerWaalsContact O-N 3.13Å; R211-C214 WeakPolarHBondContact O-CB 3.47Å; R211-C214 PolarHBondContact O-N 3.2Å; E212-C214 PolarHBondContact O-N 3.45Å; C214-V216 PolarHBondContact O-N 3.47Å; C214-H217 PolarHBondContact O-N 3.04Å; C214-M218 PolarHBondContact O-N 2.96Å |
| 215 | R | 98.8 | Very high | 97.8 | Very high | 126 Ų | 126 | 96.1 Ų | 96.1 | 48% | 0.475 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.2 | -169.1 | -168.1 | 72.2 | 83.7 | 3.3 | 112.1 | R211 E212 R213 I219 | R211-R215 PolarHBondContact O-N 3.39Å; E212-R215 WeakPolarHBondContact O-CB 3.26Å; E212-R215 PolarHBondContact O-N 2.99Å; E212-R215 IonicContact OE1-CZ 2.79Å; E212-R215 IonicContact OE1-NE 3.39Å; E212-R215 PolarHBondContact OE1-NE 3.02Å; E212-R215 IonicContact OE1-NH2 3.55Å; E212-R215 PolarHBondContact OE1-NH2 3.42Å; E212-R215 IonicContact OE2-CZ 3.51Å; E212-R215 IonicContact OE2-NE 2.68Å; E212-R215 PolarHBondContact OE2-NE 2.94Å; E212-R215 IonicContact OE2-NH2 2.67Å; R213-R215 VanDerWaalsContact C-N 3.34Å; R213-R215 PolarHBondContact O-N 3.38Å; R215-I219 HydrophobicContact CG-CD1 4.14Å; R215-I219 WeakPolarHBondContact O-CD1 3.48Å; R215-I219 VanDerWaalsContact O-CG1 3.28Å; R215-I219 WeakPolarHBondContact O-CG1 3.03Å; R215-I219 PolarHBondContact O-N 2.88Å; R215-I219 VanDerWaalsContact O-N 3.11Å |
| 216 | V | 98.7 | Very high | 97.8 | Very high | 61 Ų | 61 | 90.4 Ų | 90.4 | 37% | 0.37 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.9 | -32.8 | 179.5 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | E212 R213 C214 S220 | E212-V216 WeakPolarHBondContact O-CG2 3.1Å; E212-V216 PolarHBondContact O-N 3.36Å; R213-V216 PolarHBondContact O-N 3.19Å; R213-V216 VanDerWaalsContact O-N 3.13Å; C214-V216 PolarHBondContact O-N 3.47Å; V216-S220 WeakPolarHBondContact O-CB 3.34Å; V216-S220 PolarHBondContact O-N 3.29Å; V216-S220 VanDerWaalsContact O-N 3.07Å; V216-S220 PolarHBondContact O-OG 2.03Å |
| 217 | H | 98.5 | Very high | 97.8 | Very high | 115 Ų | 115 | 85.3 Ų | 85.3 | 53% | 0.532 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65 | -54.9 | 173.7 | -70.2 | -157.8 | 0 | 0 | 0 | 110.3 | R213 C214 I219 S220 E221 | R213-H217 PolarHBondContact O-CD2 3Å; R213-H217 PolarHBondContact O-N 3.35Å; C214-H217 PolarHBondContact O-N 3.04Å; H217-I219 VanDerWaalsContact C-N 3.28Å; H217-I219 PolarHBondContact O-N 3.32Å; H217-S220 CarbonylContact O-C 3.55Å; H217-S220 WeakPolarHBondContact O-CA 3.41Å; H217-S220 WeakPolarHBondContact O-CB 3.48Å; H217-S220 PolarHBondContact O-N 3.34Å; H217-E221 WeakPolarHBondContact O-CG 3.23Å; H217-E221 PolarHBondContact O-N 3.11Å |
| 218 | M | 98.4 | Very high | 97.8 | Very high | 122 Ų | 122 | 87.5 Ų | 87.5 | 60% | 0.601 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -54.5 | -41.2 | 177.3 | -179.4 | -173.7 | -70.3 | 0 | 0 | 112.9 | C214 S220 A222 | C214-M218 PolarHBondContact O-N 2.96Å; M218-S220 VanDerWaalsContact C-N 3.32Å; M218-S220 PolarHBondContact O-N 3.44Å; M218-A222 WeakPolarHBondContact O-CB 3.45Å; M218-A222 PolarHBondContact O-N 3.44Å |
| 219 | I | 98.6 | Very high | 97.7 | Very high | 65 Ų | 65 | 88 Ų | 88 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 174.8 | -72.5 | 167.6 | 0 | 0 | 0 | 111.4 | R215 H217 A222 F223 | R215-I219 HydrophobicContact CG-CD1 4.14Å; R215-I219 WeakPolarHBondContact O-CD1 3.48Å; R215-I219 VanDerWaalsContact O-CG1 3.28Å; R215-I219 WeakPolarHBondContact O-CG1 3.03Å; R215-I219 PolarHBondContact O-N 2.88Å; R215-I219 VanDerWaalsContact O-N 3.11Å; H217-I219 VanDerWaalsContact C-N 3.28Å; H217-I219 PolarHBondContact O-N 3.32Å; I219-A222 PolarHBondContact O-N 3.31Å; I219-F223 HydrophobicContact CG2-CD2 4.01Å; I219-F223 HydrophobicContact CG2-CE2 4.16Å; I219-F223 WeakPolarHBondContact O-CD2 3.35Å; I219-F223 PolarHBondContact O-N 3.03Å |
| 220 | S | 98 | Very high | 97.6 | Very high | 45 Ų | 45 | 84.8 Ų | 84.8 | 32% | 0.315 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -76.3 | -34.4 | -179.6 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | V216 H217 M218 F223 E224 K241 | V216-S220 WeakPolarHBondContact O-CB 3.34Å; V216-S220 PolarHBondContact O-N 3.29Å; V216-S220 VanDerWaalsContact O-N 3.07Å; V216-S220 PolarHBondContact O-OG 2.03Å; H217-S220 CarbonylContact O-C 3.55Å; H217-S220 WeakPolarHBondContact O-CA 3.41Å; H217-S220 WeakPolarHBondContact O-CB 3.48Å; H217-S220 PolarHBondContact O-N 3.34Å; M218-S220 VanDerWaalsContact C-N 3.32Å; M218-S220 PolarHBondContact O-N 3.44Å; S220-F223 PolarHBondContact O-N 3.12Å; S220-E224 PolarHBondContact O-N 2.97Å; S220-K241 PolarHBondContact OG-NZ 3.07Å; S220-K241 VanDerWaalsContact OG-NZ 3.1Å |
| 221 | E | 98.2 | Very high | 97.4 | Very high | 129 Ų | 129 | 84.3 Ų | 84.3 | 60% | 0.603 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 167.9 | -69.6 | 160.9 | -173.2 | 0 | 0 | 111.2 | H217 F223 E224 A225 | H217-E221 WeakPolarHBondContact O-CG 3.23Å; H217-E221 PolarHBondContact O-N 3.11Å; E221-F223 VanDerWaalsContact C-N 3.35Å; E221-F223 PolarHBondContact O-N 3.25Å; E221-E224 PolarHBondContact O-N 3.26Å; E221-A225 WeakPolarHBondContact O-CB 3.26Å; E221-A225 PolarHBondContact O-N 3.26Å |
| 222 | A | 98.3 | Very high | 96.8 | Very high | 60 Ų | 60 | 77.5 Ų | 77.5 | 50% | 0.496 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M218 I219 L226 | M218-A222 WeakPolarHBondContact O-CB 3.45Å; M218-A222 PolarHBondContact O-N 3.44Å; I219-A222 PolarHBondContact O-N 3.31Å; A222-L226 WeakPolarHBondContact O-CB 3.43Å; A222-L226 PolarHBondContact O-N 3.47Å |
| 223 | F | 98.1 | Very high | 96 | Very high | 44 Ų | 44 | 76.9 Ų | 76.9 | 19% | 0.193 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 172.4 | -98.1 | -77.8 | 0 | 0 | 0 | 112.5 | I219 S220 E221 R227 K241 I244 L245 | I219-F223 HydrophobicContact CG2-CD2 4.01Å; I219-F223 HydrophobicContact CG2-CE2 4.16Å; I219-F223 WeakPolarHBondContact O-CD2 3.35Å; I219-F223 PolarHBondContact O-N 3.03Å; S220-F223 PolarHBondContact O-N 3.12Å; E221-F223 VanDerWaalsContact C-N 3.35Å; E221-F223 PolarHBondContact O-N 3.25Å; F223-R227 WeakPolarHBondContact O-CB 3.21Å; F223-R227 PolarHBondContact O-N 3.23Å; F223-K241 HydrophobicContact CD1-CB 4.2Å; F223-K241 HydrophobicContact CD1-CD 4.45Å; F223-K241 HydrophobicContact CD1-CG 3.98Å; F223-K241 HydrophobicContact CD2-CD 3.98Å; F223-K241 HydrophobicContact CD2-CG 4.4Å; F223-K241 HydrophobicContact CE1-CB 3.74Å; F223-K241 HydrophobicContact CE1-CD 4.43Å; F223-K241 HydrophobicContact CE1-CG 4Å; F223-K241 WeakPolarHBondContact CE1-O 3.35Å; F223-K241 HydrophobicContact CE2-CD 3.97Å; F223-K241 HydrophobicContact CE2-CG 4.42Å; F223-K241 HydrophobicContact CG-CD 4.24Å; F223-K241 HydrophobicContact CG-CG 4.19Å; F223-K241 HydrophobicContact CZ-CB 3.96Å; F223-K241 HydrophobicContact CZ-CD 4.2Å; F223-K241 HydrophobicContact CZ-CG 4.22Å; F223-I244 HydrophobicContact CD1-CB 4.34Å; F223-I244 HydrophobicContact CD1-CD1 4.11Å; F223-I244 HydrophobicContact CD1-CG2 4.08Å; F223-I244 HydrophobicContact CE1-CG2 4.44Å; F223-L245 HydrophobicContact CE1-CD1 4.48Å; F223-L245 HydrophobicContact CE1-CD2 4.36Å; F223-L245 HydrophobicContact CE1-CG 4.13Å; F223-L245 HydrophobicContact CZ-CD1 4.35Å; F223-L245 HydrophobicContact CZ-CG 4.42Å |
| 224 | E | 96 | Very high | 95.3 | Very high | 101 Ų | 101 | 70.5 Ų | 70.5 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.6 | -40.2 | 176.9 | -164.5 | 60.9 | -149.6 | 0 | 0 | 111.7 | S220 E221 L226 R227 V228 | S220-E224 PolarHBondContact O-N 2.97Å; E221-E224 PolarHBondContact O-N 3.26Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.41Å; E224-R227 WeakPolarHBondContact O-CB 3.43Å; E224-R227 PolarHBondContact O-N 3.49Å; E224-R227 VanDerWaalsContact O-N 3.15Å; E224-R227 WeakPolarHBondContact OE1-CD 3.39Å; E224-R227 IonicContact OE1-NE 3.68Å; E224-V228 WeakPolarHBondContact O-CG2 3.38Å; E224-V228 PolarHBondContact O-N 3.4Å |
| 225 | A | 96.3 | Very high | 94.4 | Very high | 66 Ų | 66 | 72.3 Ų | 72.3 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | E221 A229 | E221-A225 WeakPolarHBondContact O-CB 3.26Å; E221-A225 PolarHBondContact O-N 3.26Å; A225-A229 PolarHBondContact O-N 2.74Å |
| 226 | L | 97.6 | Very high | 93.7 | Very high | 63 Ų | 63 | 71.1 Ų | 71.1 | 33% | 0.33 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 171 | 176.8 | 58 | 0 | 0 | 0 | 111 | A222 E224 V228 A229 L230 I244 A248 | A222-L226 WeakPolarHBondContact O-CB 3.43Å; A222-L226 PolarHBondContact O-N 3.47Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.41Å; L226-V228 VanDerWaalsContact C-N 3.31Å; L226-V228 PolarHBondContact O-N 2.94Å; L226-A229 PolarHBondContact O-N 2.94Å; L226-L230 HydrophobicContact CD1-CD2 4.32Å; L226-L230 HydrophobicContact CD1-CG 4.47Å; L226-L230 WeakPolarHBondContact O-CG 3.42Å; L226-L230 PolarHBondContact O-N 3.3Å; L226-I244 HydrophobicContact CB-CG2 4.4Å; L226-I244 HydrophobicContact CD2-CG2 3.65Å; L226-I244 HydrophobicContact CG-CG2 3.77Å; L226-A248 HydrophobicContact CD1-CB 4.27Å; L226-A248 HydrophobicContact CD2-CB 4.39Å |
| 227 | R | 95.4 | Very high | 93 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 6% | 0.057 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -53.3 | -45.1 | 179.1 | 179.2 | -170.8 | 148.9 | 54.6 | 26.3 | 112.4 | F223 E224 A229 L230 P235 Q237 I244 | F223-R227 WeakPolarHBondContact O-CB 3.21Å; F223-R227 PolarHBondContact O-N 3.23Å; E224-R227 WeakPolarHBondContact O-CB 3.43Å; E224-R227 PolarHBondContact O-N 3.49Å; E224-R227 VanDerWaalsContact O-N 3.15Å; E224-R227 WeakPolarHBondContact OE1-CD 3.39Å; E224-R227 IonicContact OE1-NE 3.68Å; R227-A229 PolarHBondContact O-N 3.35Å; R227-L230 PolarHBondContact O-N 3.38Å; R227-P235 PolarHBondContact NH2-O 3.34Å; R227-Q237 PolarHBondContact NE-O 3.38Å; R227-Q237 PolarHBondContact NH1-O 3.47Å; R227-Q237 PolarHBondContact NH2-O 3.15Å; R227-I244 HydrophobicContact CB-CD1 4.06Å; R227-I244 HydrophobicContact CB-CG1 4.36Å; R227-I244 HydrophobicContact CG-CD1 4.38Å |
| 228 | V | 94.4 | Very high | 92.6 | Very high | 118 Ų | 118 | 73.2 Ų | 73.2 | 72% | 0.715 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66 | -26.8 | 179.7 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | E224 L226 | E224-V228 WeakPolarHBondContact O-CG2 3.38Å; E224-V228 PolarHBondContact O-N 3.4Å; L226-V228 VanDerWaalsContact C-N 3.31Å; L226-V228 PolarHBondContact O-N 2.94Å |
| 229 | A | 95.7 | Very high | 92.3 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 53% | 0.529 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A225 L226 R227 | A225-A229 PolarHBondContact O-N 2.74Å; L226-A229 PolarHBondContact O-N 2.94Å; R227-A229 PolarHBondContact O-N 3.35Å |
| 230 | L | 95.4 | Very high | 92.1 | Very high | 15 Ų | 15 | 69.5 Ų | 69.5 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -93.8 | 143.2 | -178.7 | -65.1 | 178.8 | 0 | 0 | 0 | 112.7 | L226 R227 S232 I244 I247 A248 Y251 | L226-L230 HydrophobicContact CD1-CD2 4.32Å; L226-L230 HydrophobicContact CD1-CG 4.47Å; L226-L230 WeakPolarHBondContact O-CG 3.42Å; L226-L230 PolarHBondContact O-N 3.3Å; R227-L230 PolarHBondContact O-N 3.38Å; L230-S232 PolarHBondContact O-N 3.02Å; L230-I244 HydrophobicContact CD1-CG2 3.94Å; L230-I244 WeakPolarHBondContact CD1-O 3.45Å; L230-I247 HydrophobicContact CB-CG2 4.16Å; L230-I247 HydrophobicContact CD1-CB 4.12Å; L230-I247 HydrophobicContact CD1-CG2 4.01Å; L230-I247 HydrophobicContact CD2-CG2 4.42Å; L230-I247 HydrophobicContact CG-CG2 4.41Å; L230-A248 HydrophobicContact CD1-CB 4.29Å; L230-A248 HydrophobicContact CD2-CB 3.89Å; L230-Y251 HydrophobicContact CD2-CD1 3.96Å |
| 231 | P | 93.8 | Very high | 92 | Very high | 44 Ų | 44 | 72 Ų | 72 | 29% | 0.286 | 43% | 0.431 | S | S | . | . | trans | -61 | 128.1 | 168.5 | 25.4 | -31.7 | 0 | 0 | 0 | 109.8 | Y251 L279 I283 | P231-Y251 HydrophobicContact CG-CD1 4.35Å; P231-Y251 HydrophobicContact CG-CD2 3.87Å; P231-Y251 HydrophobicContact CG-CE2 4.08Å; P231-Y251 HydrophobicContact CG-CG 4.02Å; P231-L279 HydrophobicContact CG-CD1 4.41Å; P231-L279 HydrophobicContact CG-CD2 4.04Å; P231-I283 HydrophobicContact CB-CD1 4.23Å; P231-I283 HydrophobicContact CG-CD1 4.16Å; P231-I283 WeakPolarHBondContact O-CD1 3.5Å | ||
| 232 | S | 87.4 | Confident | 91.9 | Very high | 42 Ų | 42 | 69.9 Ų | 69.9 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | trans | -148.7 | 150.3 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | L230 C234 | L230-S232 PolarHBondContact O-N 3.02Å; S232-C234 VanDerWaalsContact C-N 3.29Å; S232-C234 PolarHBondContact O-N 3.43Å | ||
| 233 | A | 81.5 | Confident | 91.7 | Very high | 72 Ų | 72 | 67.1 Ų | 67.1 | 60% | 0.595 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -67 | -31.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 234 | C | 83.4 | Confident | 91.6 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | trans | -140.1 | 115.2 | -174.4 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | S232 A236 Q237 C291 | S232-C234 VanDerWaalsContact C-N 3.29Å; S232-C234 PolarHBondContact O-N 3.43Å; C234-A236 VanDerWaalsContact C-N 3.29Å; C234-A236 PolarHBondContact O-N 2.91Å; C234-Q237 HydrophobicContact CB-CB 4.29Å; C234-Q237 WeakPolarHBondContact O-CB 3.14Å; C234-Q237 PolarHBondContact O-N 3Å; C234-Q237 VanDerWaalsContact O-N 3.11Å; C234-C291 HydrophobicContact CB-CB 4.45Å; C234-C291 WeakPolarHBondContact CB-SG 3.47Å; C234-C291 WeakPolarHBondContact SG-CB 3.25Å; C234-C291 CovalentContact SG-SG 2.03Å; C234-C291 PolarHBondContact SG-SG 3.26Å | ||
| 235 | P | 80.6 | Confident | 91.7 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 75% | 0.753 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -27.3 | -172 | 25.7 | -34.6 | 0 | 0 | 0 | 113.5 | R227 Q237 | R227-P235 PolarHBondContact NH2-O 3.34Å; P235-Q237 VanDerWaalsContact C-N 3.3Å; P235-Q237 PolarHBondContact O-N 2.92Å |
| 236 | A | 82.7 | Confident | 91.7 | Very high | 100 Ų | 100 | 68.3 Ų | 68.3 | 83% | 0.826 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 4.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | C234 | C234-A236 VanDerWaalsContact C-N 3.29Å; C234-A236 PolarHBondContact O-N 2.91Å |
| 237 | Q | 85.7 | Confident | 91.6 | Very high | 29 Ų | 29 | 65.4 Ų | 65.4 | 14% | 0.136 | 38% | 0.38 | C | S | . | . | trans | -65 | 167.4 | 178.8 | -167.9 | 153.5 | 29.8 | 0 | 0 | 112.3 | R227 C234 P235 T287 F289 | R227-Q237 PolarHBondContact NE-O 3.38Å; R227-Q237 PolarHBondContact NH1-O 3.47Å; R227-Q237 PolarHBondContact NH2-O 3.15Å; C234-Q237 HydrophobicContact CB-CB 4.29Å; C234-Q237 WeakPolarHBondContact O-CB 3.14Å; C234-Q237 PolarHBondContact O-N 3Å; C234-Q237 VanDerWaalsContact O-N 3.11Å; P235-Q237 VanDerWaalsContact C-N 3.3Å; P235-Q237 PolarHBondContact O-N 2.92Å; Q237-T287 VanDerWaalsContact NE2-CB 3.33Å; Q237-T287 PolarHBondContact NE2-O 3.32Å; Q237-T287 VanDerWaalsContact OE1-CG2 3.25Å; Q237-F289 PolarHBondContact NE2-O 3.24Å | ||
| 238 | K | 88.8 | Confident | 91.7 | Very high | 192 Ų | 192 | 65.1 Ų | 65.1 | 84% | 0.835 | 38% | 0.381 | S | S | * | . | trans | -115.2 | 127.9 | 170.1 | -66.4 | 178.4 | -178.2 | 174.8 | 0 | 108.8 | ||||
| 239 | L | 92.1 | Very high | 91.8 | Very high | 27 Ų | 27 | 63.1 Ų | 63.1 | 14% | 0.141 | 37% | 0.371 | C | S | . | . | trans | -116.2 | 148.6 | 175.5 | -73.2 | 172.2 | 0 | 0 | 0 | 108.8 | I244 I247 E286 T287 | L239-I244 HydrophobicContact CB-CD1 4.35Å; L239-I244 HydrophobicContact CB-CG1 3.8Å; L239-I244 HydrophobicContact CD1-CG1 4.38Å; L239-I247 HydrophobicContact CD1-CD1 3.86Å; L239-I247 HydrophobicContact CD2-CD1 4.18Å; L239-E286 HydrophobicContact CD2-CB 4.5Å; L239-T287 HydrophobicContact CD2-CG2 3.97Å | ||
| 240 | T | 94.4 | Very high | 91.9 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | trans | -74.6 | 162.2 | 174.4 | 83.9 | 0 | 0 | 0 | 0 | 110.7 | V242 S243 I244 | T240-V242 PolarHBondContact O-N 3.43Å; T240-V242 PolarHBondContact OG1-N 2.77Å; T240-S243 WeakPolarHBondContact CB-OG 3.4Å; T240-S243 PolarHBondContact N-OG 2.88Å; T240-S243 WeakPolarHBondContact O-CB 3.07Å; T240-S243 PolarHBondContact O-N 3.47Å; T240-S243 VanDerWaalsContact O-N 3.12Å; T240-S243 PolarHBondContact OG1-N 3.27Å; T240-S243 PolarHBondContact OG1-OG 2.85Å; T240-I244 WeakPolarHBondContact O-CG1 3.37Å; T240-I244 PolarHBondContact O-N 3.1Å | ||
| 241 | K | 96 | Very high | 92 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.6 | -28 | 174.2 | -67.8 | -170.2 | 175.3 | -172.6 | 0 | 112.7 | S220 F223 L245 | S220-K241 PolarHBondContact OG-NZ 3.07Å; S220-K241 VanDerWaalsContact OG-NZ 3.1Å; F223-K241 HydrophobicContact CD1-CB 4.2Å; F223-K241 HydrophobicContact CD1-CD 4.45Å; F223-K241 HydrophobicContact CD1-CG 3.98Å; F223-K241 HydrophobicContact CD2-CD 3.98Å; F223-K241 HydrophobicContact CD2-CG 4.4Å; F223-K241 HydrophobicContact CE1-CB 3.74Å; F223-K241 HydrophobicContact CE1-CD 4.43Å; F223-K241 HydrophobicContact CE1-CG 4Å; F223-K241 WeakPolarHBondContact CE1-O 3.35Å; F223-K241 HydrophobicContact CE2-CD 3.97Å; F223-K241 HydrophobicContact CE2-CG 4.42Å; F223-K241 HydrophobicContact CG-CD 4.24Å; F223-K241 HydrophobicContact CG-CG 4.19Å; F223-K241 HydrophobicContact CZ-CB 3.96Å; F223-K241 HydrophobicContact CZ-CD 4.2Å; F223-K241 HydrophobicContact CZ-CG 4.22Å; K241-L245 WeakPolarHBondContact O-CG 3.45Å; K241-L245 PolarHBondContact O-N 2.85Å |
| 242 | V | 96.1 | Very high | 92.1 | Very high | 85 Ų | 85 | 66.1 Ų | 66.1 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -75.2 | -42.8 | 173.9 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | T240 I244 L245 R246 | T240-V242 PolarHBondContact O-N 3.43Å; T240-V242 PolarHBondContact OG1-N 2.77Å; V242-I244 PolarHBondContact O-N 3.49Å; V242-L245 PolarHBondContact O-N 3.22Å; V242-R246 WeakPolarHBondContact O-CG 3.32Å; V242-R246 PolarHBondContact O-N 3Å |
| 243 | S | 95 | Very high | 92.5 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 177 | -50.2 | 0 | 0 | 0 | 0 | 112.5 | T240 L245 R246 I247 E286 | T240-S243 WeakPolarHBondContact CB-OG 3.4Å; T240-S243 PolarHBondContact N-OG 2.88Å; T240-S243 WeakPolarHBondContact O-CB 3.07Å; T240-S243 PolarHBondContact O-N 3.47Å; T240-S243 VanDerWaalsContact O-N 3.12Å; T240-S243 PolarHBondContact OG1-N 3.27Å; T240-S243 PolarHBondContact OG1-OG 2.85Å; S243-L245 VanDerWaalsContact C-N 3.32Å; S243-L245 PolarHBondContact O-N 3.03Å; S243-R246 PolarHBondContact O-N 3.48Å; S243-I247 WeakPolarHBondContact O-CG1 3.21Å; S243-I247 PolarHBondContact O-N 3.02Å; S243-E286 VanDerWaalsContact CA-OE2 3.23Å; S243-E286 WeakPolarHBondContact CA-OE2 3.47Å; S243-E286 WeakPolarHBondContact CB-OE2 3.38Å; S243-E286 PolarHBondContact OG-OE2 2.87Å |
| 244 | I | 95.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -43 | 177 | -67.5 | 163.8 | 0 | 0 | 0 | 110.5 | F223 L226 R227 L230 L239 T240 V242 A248 | F223-I244 HydrophobicContact CD1-CB 4.34Å; F223-I244 HydrophobicContact CD1-CD1 4.11Å; F223-I244 HydrophobicContact CD1-CG2 4.08Å; F223-I244 HydrophobicContact CE1-CG2 4.44Å; L226-I244 HydrophobicContact CB-CG2 4.4Å; L226-I244 HydrophobicContact CD2-CG2 3.65Å; L226-I244 HydrophobicContact CG-CG2 3.77Å; R227-I244 HydrophobicContact CB-CD1 4.06Å; R227-I244 HydrophobicContact CB-CG1 4.36Å; R227-I244 HydrophobicContact CG-CD1 4.38Å; L230-I244 HydrophobicContact CD1-CG2 3.94Å; L230-I244 WeakPolarHBondContact CD1-O 3.45Å; L239-I244 HydrophobicContact CB-CD1 4.35Å; L239-I244 HydrophobicContact CB-CG1 3.8Å; L239-I244 HydrophobicContact CD1-CG1 4.38Å; T240-I244 WeakPolarHBondContact O-CG1 3.37Å; T240-I244 PolarHBondContact O-N 3.1Å; V242-I244 PolarHBondContact O-N 3.49Å; I244-A248 WeakPolarHBondContact O-CB 3.37Å; I244-A248 PolarHBondContact O-N 3.2Å |
| 245 | L | 97.5 | Very high | 93.9 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 178.4 | -67.6 | 170.4 | 0 | 0 | 0 | 112.4 | F223 K241 V242 S243 A248 C249 | F223-L245 HydrophobicContact CE1-CD1 4.48Å; F223-L245 HydrophobicContact CE1-CD2 4.36Å; F223-L245 HydrophobicContact CE1-CG 4.13Å; F223-L245 HydrophobicContact CZ-CD1 4.35Å; F223-L245 HydrophobicContact CZ-CG 4.42Å; K241-L245 WeakPolarHBondContact O-CG 3.45Å; K241-L245 PolarHBondContact O-N 2.85Å; V242-L245 PolarHBondContact O-N 3.22Å; S243-L245 VanDerWaalsContact C-N 3.32Å; S243-L245 PolarHBondContact O-N 3.03Å; L245-A248 PolarHBondContact O-N 2.68Å; L245-C249 PolarHBondContact O-N 3.41Å; L245-C249 PolarHBondContact O-SG 3.37Å; L245-C249 VanDerWaalsContact O-SG 3.36Å |
| 246 | R | 96.1 | Very high | 94.7 | Very high | 140 Ų | 140 | 59.8 Ų | 59.8 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -54 | 177.2 | -73.3 | 173.8 | 172.1 | -169.3 | -5.7 | 111.7 | V242 S243 A248 C249 D250 T282 E286 | V242-R246 WeakPolarHBondContact O-CG 3.32Å; V242-R246 PolarHBondContact O-N 3Å; S243-R246 PolarHBondContact O-N 3.48Å; R246-A248 VanDerWaalsContact C-N 3.28Å; R246-A248 PolarHBondContact O-N 3.13Å; R246-C249 PolarHBondContact O-N 3.34Å; R246-D250 PolarHBondContact O-N 3.24Å; R246-T282 HydrophobicContact CB-CG2 3.98Å; R246-E286 WeakPolarHBondContact CD-OE1 3.42Å; R246-E286 IonicContact CZ-OE1 3.66Å; R246-E286 IonicContact NE-OE1 3.69Å; R246-E286 IonicContact NH1-OE1 3.28Å; R246-E286 PolarHBondContact NH1-OE1 2.89Å |
| 247 | I | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 179.1 | -62.9 | 165.1 | 0 | 0 | 0 | 110.9 | L230 L239 S243 Y251 L279 T282 I283 E286 | L230-I247 HydrophobicContact CB-CG2 4.16Å; L230-I247 HydrophobicContact CD1-CB 4.12Å; L230-I247 HydrophobicContact CD1-CG2 4.01Å; L230-I247 HydrophobicContact CD2-CG2 4.42Å; L230-I247 HydrophobicContact CG-CG2 4.41Å; L239-I247 HydrophobicContact CD1-CD1 3.86Å; L239-I247 HydrophobicContact CD2-CD1 4.18Å; S243-I247 WeakPolarHBondContact O-CG1 3.21Å; S243-I247 PolarHBondContact O-N 3.02Å; I247-Y251 VanDerWaalsContact O-CB 3.26Å; I247-Y251 WeakPolarHBondContact O-CB 3.39Å; I247-Y251 PolarHBondContact O-N 2.84Å; I247-L279 HydrophobicContact CG2-CD1 3.98Å; I247-T282 HydrophobicContact CG1-CG2 3.87Å; I247-I283 HydrophobicContact CD1-CG1 4.12Å; I247-I283 HydrophobicContact CG1-CG1 4.07Å; I247-I283 HydrophobicContact CG2-CD1 4.41Å; I247-I283 HydrophobicContact CG2-CG1 3.92Å; I247-E286 HydrophobicContact CD1-CB 4.23Å |
| 248 | A | 97.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L226 L230 I244 L245 R246 Y251 I252 | L226-A248 HydrophobicContact CD1-CB 4.27Å; L226-A248 HydrophobicContact CD2-CB 4.39Å; L230-A248 HydrophobicContact CD1-CB 4.29Å; L230-A248 HydrophobicContact CD2-CB 3.89Å; I244-A248 WeakPolarHBondContact O-CB 3.37Å; I244-A248 PolarHBondContact O-N 3.2Å; L245-A248 PolarHBondContact O-N 2.68Å; R246-A248 VanDerWaalsContact C-N 3.28Å; R246-A248 PolarHBondContact O-N 3.13Å; A248-Y251 PolarHBondContact O-N 3.49Å; A248-I252 WeakPolarHBondContact O-CB 3.32Å; A248-I252 WeakPolarHBondContact O-CD1 3.4Å; A248-I252 WeakPolarHBondContact O-CG1 3.34Å; A248-I252 PolarHBondContact O-N 3.39Å |
| 249 | C | 96.7 | Very high | 96 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 51% | 0.514 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 176.4 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | L245 R246 Y251 I252 M253 | L245-C249 PolarHBondContact O-N 3.41Å; L245-C249 PolarHBondContact O-SG 3.37Å; L245-C249 VanDerWaalsContact O-SG 3.36Å; R246-C249 PolarHBondContact O-N 3.34Å; C249-Y251 VanDerWaalsContact C-N 3.33Å; C249-Y251 PolarHBondContact O-N 2.97Å; C249-I252 PolarHBondContact O-N 2.97Å; C249-M253 WeakPolarHBondContact O-CG 3.46Å; C249-M253 PolarHBondContact O-N 2.88Å |
| 250 | D | 96.1 | Very high | 96 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 9% | 0.086 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 179 | -70.7 | -22.6 | 0 | 0 | 0 | 112.1 | R246 M253 L254 Q278 L279 T282 | R246-D250 PolarHBondContact O-N 3.24Å; D250-M253 PolarHBondContact O-N 3.29Å; D250-M253 VanDerWaalsContact OD1-CE 3.28Å; D250-M253 WeakPolarHBondContact OD1-CE 3.41Å; D250-L254 PolarHBondContact O-N 3.28Å; D250-Q278 PolarHBondContact OD1-NE2 2.82Å; D250-L279 HydrophobicContact CB-CB 4.1Å; D250-L279 HydrophobicContact CB-CD1 3.69Å; D250-L279 HydrophobicContact CB-CG 4.48Å; D250-T282 WeakPolarHBondContact OD2-CB 3.34Å; D250-T282 WeakPolarHBondContact OD2-CG2 3.34Å; D250-T282 PolarHBondContact OD2-OG1 3.34Å |
| 251 | Y | 97.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 61 Ų | 61 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.3 | -37.5 | 178.7 | -173 | -138.1 | 0 | 0 | 0 | 112.6 | L230 P231 I247 A248 C249 L254 L255 L279 | L230-Y251 HydrophobicContact CD2-CD1 3.96Å; P231-Y251 HydrophobicContact CG-CD1 4.35Å; P231-Y251 HydrophobicContact CG-CD2 3.87Å; P231-Y251 HydrophobicContact CG-CE2 4.08Å; P231-Y251 HydrophobicContact CG-CG 4.02Å; I247-Y251 VanDerWaalsContact O-CB 3.26Å; I247-Y251 WeakPolarHBondContact O-CB 3.39Å; I247-Y251 PolarHBondContact O-N 2.84Å; A248-Y251 PolarHBondContact O-N 3.49Å; C249-Y251 VanDerWaalsContact C-N 3.33Å; C249-Y251 PolarHBondContact O-N 2.97Å; Y251-L254 PolarHBondContact O-N 3.26Å; Y251-L255 HydrophobicContact CD1-CD1 4.2Å; Y251-L255 HydrophobicContact CD2-CD1 4.19Å; Y251-L255 HydrophobicContact CD2-CG 4.04Å; Y251-L255 HydrophobicContact CE1-CD1 3.85Å; Y251-L255 HydrophobicContact CE2-CD1 3.83Å; Y251-L255 HydrophobicContact CE2-CD2 3.97Å; Y251-L255 HydrophobicContact CE2-CG 3.78Å; Y251-L255 HydrophobicContact CG-CD1 4.37Å; Y251-L255 WeakPolarHBondContact O-CB 3.5Å; Y251-L255 WeakPolarHBondContact O-CG 3.4Å; Y251-L255 PolarHBondContact O-N 3.11Å; Y251-L279 HydrophobicContact CD2-CD2 3.87Å; Y251-L279 HydrophobicContact CG-CD2 4.45Å |
| 252 | I | 97.2 | Very high | 95.5 | Very high | 98 Ų | 98 | 60 Ų | 60 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 173.3 | -71.3 | 165 | 0 | 0 | 0 | 111.1 | A248 C249 G256 Y263 | A248-I252 WeakPolarHBondContact O-CB 3.32Å; A248-I252 WeakPolarHBondContact O-CD1 3.4Å; A248-I252 WeakPolarHBondContact O-CG1 3.34Å; A248-I252 PolarHBondContact O-N 3.39Å; C249-I252 PolarHBondContact O-N 2.97Å; I252-G256 PolarHBondContact O-N 3.01Å; I252-Y263 HydrophobicContact CG2-CD2 4.13Å; I252-Y263 HydrophobicContact CG2-CE2 4.19Å |
| 253 | M | 95.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 174.5 | -69.2 | -172.5 | -65.6 | 0 | 0 | 111.5 | C249 D250 G256 A257 L275 | C249-M253 WeakPolarHBondContact O-CG 3.46Å; C249-M253 PolarHBondContact O-N 2.88Å; D250-M253 PolarHBondContact O-N 3.29Å; D250-M253 VanDerWaalsContact OD1-CE 3.28Å; D250-M253 WeakPolarHBondContact OD1-CE 3.41Å; M253-G256 WeakPolarHBondContact O-CA 3.4Å; M253-G256 PolarHBondContact O-N 3.43Å; M253-A257 PolarHBondContact O-N 2.93Å; M253-L275 HydrophobicContact CB-CD1 4.44Å; M253-L275 HydrophobicContact CB-CD2 3.82Å; M253-L275 HydrophobicContact CE-CD2 4.46Å |
| 254 | L | 96.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 177.8 | 179.5 | 61.1 | 0 | 0 | 0 | 112.3 | D250 Y251 G256 A257 M258 V272 L275 R276 L279 | D250-L254 PolarHBondContact O-N 3.28Å; Y251-L254 PolarHBondContact O-N 3.26Å; L254-G256 VanDerWaalsContact C-N 3.26Å; L254-G256 PolarHBondContact O-N 2.79Å; L254-A257 PolarHBondContact O-N 3.28Å; L254-M258 HydrophobicContact CD1-CG 4.36Å; L254-M258 HydrophobicContact CD1-SD 4.18Å; L254-M258 HydrophobicContact CG-SD 4.09Å; L254-M258 WeakPolarHBondContact O-CB 3.46Å; L254-M258 VanDerWaalsContact O-CG 3.31Å; L254-M258 WeakPolarHBondContact O-CG 3.47Å; L254-M258 PolarHBondContact O-N 3.35Å; L254-V272 HydrophobicContact CD1-CG1 3.81Å; L254-V272 WeakPolarHBondContact CD1-O 3.34Å; L254-L275 HydrophobicContact CB-CB 4.27Å; L254-L275 HydrophobicContact CD1-CB 3.88Å; L254-R276 HydrophobicContact CD1-CB 4.15Å; L254-R276 HydrophobicContact CD2-CB 4.36Å; L254-R276 HydrophobicContact CD2-CG 4.31Å; L254-L279 HydrophobicContact CD2-CD2 3.55Å |
| 255 | L | 97.4 | Very high | 94.3 | Very high | 66 Ų | 66 | 67.2 Ų | 67.2 | 35% | 0.346 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.9 | -27 | 176.1 | -67.9 | 179.4 | 0 | 0 | 0 | 112.8 | Y251 N259 | Y251-L255 HydrophobicContact CD1-CD1 4.2Å; Y251-L255 HydrophobicContact CD2-CD1 4.19Å; Y251-L255 HydrophobicContact CD2-CG 4.04Å; Y251-L255 HydrophobicContact CE1-CD1 3.85Å; Y251-L255 HydrophobicContact CE2-CD1 3.83Å; Y251-L255 HydrophobicContact CE2-CD2 3.97Å; Y251-L255 HydrophobicContact CE2-CG 3.78Å; Y251-L255 HydrophobicContact CG-CD1 4.37Å; Y251-L255 WeakPolarHBondContact O-CB 3.5Å; Y251-L255 WeakPolarHBondContact O-CG 3.4Å; Y251-L255 PolarHBondContact O-N 3.11Å; L255-N259 WeakPolarHBondContact O-CB 3.28Å; L255-N259 VanDerWaalsContact O-CG 3.31Å; L255-N259 PolarHBondContact O-N 3.39Å |
| 256 | G | 95.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.7 | -59.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I252 M253 L254 M258 N259 G260 R261 | I252-G256 PolarHBondContact O-N 3.01Å; M253-G256 WeakPolarHBondContact O-CA 3.4Å; M253-G256 PolarHBondContact O-N 3.43Å; L254-G256 VanDerWaalsContact C-N 3.26Å; L254-G256 PolarHBondContact O-N 2.79Å; G256-M258 PolarHBondContact O-N 3Å; G256-N259 CarbonylContact O-C 2.95Å; G256-N259 VanDerWaalsContact O-C 3.3Å; G256-N259 WeakPolarHBondContact O-CA 3.48Å; G256-N259 PolarHBondContact O-N 3.47Å; G256-G260 PolarHBondContact O-N 3.28Å; G256-G260 VanDerWaalsContact O-N 3.14Å; G256-R261 CarbonylContact C-O 3.3Å; G256-R261 WeakPolarHBondContact CA-O 3.48Å; G256-R261 PolarHBondContact O-N 3.12Å |
| 257 | A | 94.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 70.6 Ų | 70.6 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | M253 L254 N259 G260 R261 V272 L275 | M253-A257 PolarHBondContact O-N 2.93Å; L254-A257 PolarHBondContact O-N 3.28Å; A257-N259 PolarHBondContact O-N 3.34Å; A257-G260 PolarHBondContact O-N 2.85Å; A257-G260 VanDerWaalsContact O-N 3.07Å; A257-R261 PolarHBondContact N-O 3.21Å; A257-V272 HydrophobicContact CB-CG2 3.9Å; A257-L275 HydrophobicContact CB-CD1 3.5Å |
| 258 | M | 95.5 | Very high | 92.2 | Very high | 110 Ų | 110 | 80.2 Ų | 80.2 | 54% | 0.542 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.8 | -29.3 | 173.1 | -73.2 | 177.9 | 62 | 0 | 0 | 113.1 | L254 G256 V272 | L254-M258 HydrophobicContact CD1-CG 4.36Å; L254-M258 HydrophobicContact CD1-SD 4.18Å; L254-M258 HydrophobicContact CG-SD 4.09Å; L254-M258 WeakPolarHBondContact O-CB 3.46Å; L254-M258 VanDerWaalsContact O-CG 3.31Å; L254-M258 WeakPolarHBondContact O-CG 3.47Å; L254-M258 PolarHBondContact O-N 3.35Å; G256-M258 PolarHBondContact O-N 3Å; M258-V272 HydrophobicContact CG-CG1 3.56Å; M258-V272 HydrophobicContact CG-CG2 4.41Å; M258-V272 HydrophobicContact SD-CG1 4.39Å |
| 259 | N | 95.9 | Very high | 91.3 | Very high | 113 Ų | 113 | 84 Ų | 84 | 60% | 0.604 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 17.3 | 177.8 | -65.6 | -2.4 | 0 | 0 | 0 | 112.7 | L255 G256 A257 R261 | L255-N259 WeakPolarHBondContact O-CB 3.28Å; L255-N259 VanDerWaalsContact O-CG 3.31Å; L255-N259 PolarHBondContact O-N 3.39Å; G256-N259 CarbonylContact O-C 2.95Å; G256-N259 VanDerWaalsContact O-C 3.3Å; G256-N259 WeakPolarHBondContact O-CA 3.48Å; G256-N259 PolarHBondContact O-N 3.47Å; A257-N259 PolarHBondContact O-N 3.34Å; N259-R261 VanDerWaalsContact C-N 3.35Å; N259-R261 PolarHBondContact O-N 2.84Å |
| 260 | G | 91.5 | Very high | 90.8 | Very high | 72 Ų | 72 | 82.4 Ų | 82.4 | 74% | 0.742 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 22.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G256 A257 | G256-G260 PolarHBondContact O-N 3.28Å; G256-G260 VanDerWaalsContact O-N 3.14Å; A257-G260 PolarHBondContact O-N 2.85Å; A257-G260 VanDerWaalsContact O-N 3.07Å |
| 261 | R | 92 | Very high | 90.7 | Very high | 131 Ų | 131 | 84.9 Ų | 84.9 | 49% | 0.494 | 46% | 0.459 | S | S | . | . | trans | -115.6 | 119.6 | 178.6 | -60.5 | -175.3 | -62.5 | -179.3 | 3.9 | 110.7 | G256 A257 N259 Y263 | G256-R261 CarbonylContact C-O 3.3Å; G256-R261 WeakPolarHBondContact CA-O 3.48Å; G256-R261 PolarHBondContact O-N 3.12Å; A257-R261 PolarHBondContact N-O 3.21Å; N259-R261 VanDerWaalsContact C-N 3.35Å; N259-R261 PolarHBondContact O-N 2.84Å; R261-Y263 HydrophobicContact CB-CE2 4.48Å; R261-Y263 PolarHBondContact NE-OH 3.49Å; R261-Y263 PolarHBondContact NH1-OH 3.3Å; R261-Y263 PolarHBondContact NH2-OH 2.88Å | ||
| 262 | D | 88.8 | Confident | 90.6 | Very high | 75 Ų | 75 | 83.4 Ų | 83.4 | 40% | 0.401 | 46% | 0.457 | S | S | . | . | trans | -79.5 | 137.7 | 169 | -161.7 | -0.4 | 0 | 0 | 0 | 110.4 | S264 S269 | D262-S264 WeakPolarHBondContact OD1-CB 3.39Å; D262-S264 PolarHBondContact OD1-N 3.47Å; D262-S269 WeakPolarHBondContact OD2-CA 3.44Å; D262-S269 PolarHBondContact OD2-N 3.35Å | ||
| 263 | Y | 89.3 | Confident | 90.6 | Very high | 112 Ų | 112 | 83.4 Ų | 83.4 | 44% | 0.439 | 46% | 0.458 | S | S | . | . | trans | -120.5 | 4.6 | 172.8 | -70.7 | -57.3 | 0 | 0 | 0 | 112 | I252 R261 A265 | I252-Y263 HydrophobicContact CG2-CD2 4.13Å; I252-Y263 HydrophobicContact CG2-CE2 4.19Å; R261-Y263 HydrophobicContact CB-CE2 4.48Å; R261-Y263 PolarHBondContact NE-OH 3.49Å; R261-Y263 PolarHBondContact NH1-OH 3.3Å; R261-Y263 PolarHBondContact NH2-OH 2.88Å; Y263-A265 PolarHBondContact O-N 3.17Å | ||
| 264 | S | 87 | Confident | 90.6 | Very high | 31 Ų | 31 | 84.5 Ų | 84.5 | 22% | 0.217 | 46% | 0.463 | C | S | . | . | trans | -66.4 | 125.6 | 173.8 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | D262 D266 Q267 R268 | D262-S264 WeakPolarHBondContact OD1-CB 3.39Å; D262-S264 PolarHBondContact OD1-N 3.47Å; S264-D266 PolarHBondContact O-N 2.91Å; S264-Q267 PolarHBondContact O-N 3.39Å; S264-R268 PolarHBondContact OG-N 3.01Å | ||
| 265 | A | 85.8 | Confident | 90.6 | Very high | 101 Ų | 101 | 84.2 Ų | 84.2 | 84% | 0.835 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y263 | Y263-A265 PolarHBondContact O-N 3.17Š|
| 266 | D | 86.5 | Confident | 90.6 | Very high | 138 Ų | 138 | 86.4 Ų | 86.4 | 74% | 0.738 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 5 | -175.9 | -56.6 | -30 | 0 | 0 | 0 | 113 | S264 R268 | S264-D266 PolarHBondContact O-N 2.91Å; D266-R268 HydrophobicContact CB-CB 4.43Å; D266-R268 PolarHBondContact O-N 3.45Å; D266-R268 VanDerWaalsContact O-N 3.1Å |
| 267 | Q | 77.3 | Confident | 90.6 | Very high | 164 Ų | 164 | 92 Ų | 92 | 77% | 0.766 | 49% | 0.486 | S | S | * | . | trans | 53.3 | 25.6 | -172.1 | -64.8 | 173.9 | 72.8 | 0 | 0 | 113.9 | S264 S269 | S264-Q267 PolarHBondContact O-N 3.39Å; Q267-S269 PolarHBondContact O-N 3.29Å; Q267-S269 VanDerWaalsContact O-N 3.12Å; Q267-S269 PolarHBondContact O-OG 3.13Å | ||
| 268 | R | 80.2 | Confident | 90.7 | Very high | 204 Ų | 204 | 93.8 Ų | 93.8 | 77% | 0.77 | 49% | 0.489 | S | S | * | . | trans | -70.9 | -7.1 | -175.2 | -168.7 | 167.7 | 176.9 | 171.8 | -1.4 | 113.3 | S264 D266 | S264-R268 PolarHBondContact OG-N 3.01Å; D266-R268 HydrophobicContact CB-CB 4.43Å; D266-R268 PolarHBondContact O-N 3.45Å; D266-R268 VanDerWaalsContact O-N 3.1Å | ||
| 269 | S | 80.1 | Confident | 90.8 | Very high | 87 Ų | 87 | 88.9 Ų | 88.9 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | trans | 39.3 | 55.8 | 174.2 | 44.7 | 0 | 0 | 0 | 0 | 114.4 | D262 Q267 | D262-S269 WeakPolarHBondContact OD2-CA 3.44Å; D262-S269 PolarHBondContact OD2-N 3.35Å; Q267-S269 PolarHBondContact O-N 3.29Å; Q267-S269 VanDerWaalsContact O-N 3.12Å; Q267-S269 PolarHBondContact O-OG 3.13Å | ||
| 270 | P | 86.5 | Confident | 90.8 | Very high | 44 Ų | 44 | 86.3 Ų | 86.3 | 29% | 0.286 | 46% | 0.455 | S | S | . | . | trans | -59 | 142.9 | -179.3 | 26.5 | -34.8 | 0 | 0 | 0 | 111 | L275 | P270-L275 HydrophobicContact CB-CD2 4.33Å; P270-L275 HydrophobicContact CB-CG 4.17Å; P270-L275 HydrophobicContact CG-CD1 4.1Å; P270-L275 HydrophobicContact CG-CD2 3.83Å; P270-L275 HydrophobicContact CG-CG 3.95Å | ||
| 271 | S | 93 | Very high | 90.9 | Very high | 68 Ų | 68 | 88.1 Ų | 88.1 | 48% | 0.476 | 45% | 0.445 | S | S | . | . | trans | -63.8 | 151.4 | -177.6 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | D273 E274 L275 | S271-D273 PolarHBondContact O-N 3.05Å; S271-D273 VanDerWaalsContact O-N 3.16Å; S271-E274 PolarHBondContact O-N 2.9Å; S271-E274 VanDerWaalsContact O-N 3.11Å; S271-E274 WeakPolarHBondContact OG-CB 3.49Å; S271-E274 PolarHBondContact OG-N 2.91Å; S271-L275 PolarHBondContact O-N 2.79Å | ||
| 272 | V | 96 | Very high | 91.1 | Very high | 42 Ų | 42 | 83.2 Ų | 83.2 | 26% | 0.255 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -55.2 | -34.6 | 176.7 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | L254 A257 M258 R276 | L254-V272 HydrophobicContact CD1-CG1 3.81Å; L254-V272 WeakPolarHBondContact CD1-O 3.34Å; A257-V272 HydrophobicContact CB-CG2 3.9Å; M258-V272 HydrophobicContact CG-CG1 3.56Å; M258-V272 HydrophobicContact CG-CG2 4.41Å; M258-V272 HydrophobicContact SD-CG1 4.39Å; V272-R276 WeakPolarHBondContact O-CB 3.43Å; V272-R276 PolarHBondContact O-N 2.91Å |
| 273 | D | 96.7 | Very high | 91.3 | Very high | 98 Ų | 98 | 80.6 Ų | 80.6 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.8 | -38 | 179.5 | -55.2 | -55.5 | 0 | 0 | 0 | 112.8 | S271 R276 R277 | S271-D273 PolarHBondContact O-N 3.05Å; S271-D273 VanDerWaalsContact O-N 3.16Å; D273-R276 PolarHBondContact O-N 3.22Å; D273-R276 IonicContact OD1-CZ 3.21Å; D273-R276 IonicContact OD1-NH1 2.68Å; D273-R276 PolarHBondContact OD1-NH1 3.41Å; D273-R276 IonicContact OD1-NH2 2.82Å; D273-R276 PolarHBondContact OD1-NH2 3.28Å; D273-R277 WeakPolarHBondContact O-CB 3.36Å; D273-R277 PolarHBondContact O-N 3.5Å |
| 274 | E | 95.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 81.4 Ų | 81.4 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 173.6 | 179 | 60.1 | -173.2 | 0 | 0 | 111.3 | S271 R276 R277 Q278 | S271-E274 PolarHBondContact O-N 2.9Å; S271-E274 VanDerWaalsContact O-N 3.11Å; S271-E274 WeakPolarHBondContact OG-CB 3.49Å; S271-E274 PolarHBondContact OG-N 2.91Å; E274-R276 VanDerWaalsContact C-N 3.31Å; E274-R276 PolarHBondContact O-N 3.03Å; E274-R277 WeakPolarHBondContact O-CB 3.44Å; E274-R277 PolarHBondContact O-N 3.31Å; E274-R277 IonicContact OE1-CZ 3.5Å; E274-R277 IonicContact OE1-NE 3.46Å; E274-R277 PolarHBondContact OE1-NE 3.22Å; E274-R277 IonicContact OE1-NH2 2.73Å; E274-R277 PolarHBondContact OE1-NH2 3.38Å; E274-R277 IonicContact OE2-CZ 3.61Å; E274-R277 IonicContact OE2-NE 2.77Å; E274-R277 PolarHBondContact OE2-NE 2.97Å; E274-R277 IonicContact OE2-NH2 3.61Å; E274-Q278 WeakPolarHBondContact O-CB 3.45Å; E274-Q278 PolarHBondContact O-N 3.42Å |
| 275 | L | 96.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 83 Ų | 83 | 4% | 0.037 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62 | -37.4 | 172.5 | -73 | 171.3 | 0 | 0 | 0 | 112.2 | M253 L254 A257 P270 S271 L279 | M253-L275 HydrophobicContact CB-CD1 4.44Å; M253-L275 HydrophobicContact CB-CD2 3.82Å; M253-L275 HydrophobicContact CE-CD2 4.46Å; L254-L275 HydrophobicContact CB-CB 4.27Å; L254-L275 HydrophobicContact CD1-CB 3.88Å; A257-L275 HydrophobicContact CB-CD1 3.5Å; P270-L275 HydrophobicContact CB-CD2 4.33Å; P270-L275 HydrophobicContact CB-CG 4.17Å; P270-L275 HydrophobicContact CG-CD1 4.1Å; P270-L275 HydrophobicContact CG-CD2 3.83Å; P270-L275 HydrophobicContact CG-CG 3.95Å; S271-L275 PolarHBondContact O-N 2.79Å; L275-L279 VanDerWaalsContact O-CB 3.3Å; L275-L279 WeakPolarHBondContact O-CB 3.49Å; L275-L279 PolarHBondContact O-N 3.41Å |
| 276 | R | 97.3 | Very high | 91.9 | Very high | 112 Ų | 112 | 79.5 Ų | 79.5 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 174.8 | -160.6 | -172.3 | -48.9 | 104.9 | 3.6 | 111.6 | L254 V272 D273 E274 S280 | L254-R276 HydrophobicContact CD1-CB 4.15Å; L254-R276 HydrophobicContact CD2-CB 4.36Å; L254-R276 HydrophobicContact CD2-CG 4.31Å; V272-R276 WeakPolarHBondContact O-CB 3.43Å; V272-R276 PolarHBondContact O-N 2.91Å; D273-R276 PolarHBondContact O-N 3.22Å; D273-R276 IonicContact OD1-CZ 3.21Å; D273-R276 IonicContact OD1-NH1 2.68Å; D273-R276 PolarHBondContact OD1-NH1 3.41Å; D273-R276 IonicContact OD1-NH2 2.82Å; D273-R276 PolarHBondContact OD1-NH2 3.28Å; E274-R276 VanDerWaalsContact C-N 3.31Å; E274-R276 PolarHBondContact O-N 3.03Å; R276-S280 WeakPolarHBondContact O-CB 3.45Å; R276-S280 PolarHBondContact O-N 3.47Å; R276-S280 VanDerWaalsContact O-N 3.11Å; R276-S280 PolarHBondContact O-OG 3.19Å |
| 277 | R | 97.2 | Very high | 91.8 | Very high | 119 Ų | 119 | 73.6 Ų | 73.6 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 174.8 | -165.9 | -164.3 | 67 | 65.5 | 7.3 | 110.8 | D273 E274 S280 E281 | D273-R277 WeakPolarHBondContact O-CB 3.36Å; D273-R277 PolarHBondContact O-N 3.5Å; E274-R277 WeakPolarHBondContact O-CB 3.44Å; E274-R277 PolarHBondContact O-N 3.31Å; E274-R277 IonicContact OE1-CZ 3.5Å; E274-R277 IonicContact OE1-NE 3.46Å; E274-R277 PolarHBondContact OE1-NE 3.22Å; E274-R277 IonicContact OE1-NH2 2.73Å; E274-R277 PolarHBondContact OE1-NH2 3.38Å; E274-R277 IonicContact OE2-CZ 3.61Å; E274-R277 IonicContact OE2-NE 2.77Å; E274-R277 PolarHBondContact OE2-NE 2.97Å; E274-R277 IonicContact OE2-NH2 3.61Å; R277-S280 WeakPolarHBondContact O-CB 3.17Å; R277-S280 PolarHBondContact O-N 3.11Å; R277-E281 IonicContact CZ-OE2 3.62Å; R277-E281 IonicContact NH1-OE2 2.68Å; R277-E281 PolarHBondContact NH1-OE2 2.97Å; R277-E281 IonicContact NH2-OE2 3.73Å; R277-E281 WeakPolarHBondContact O-CB 3.44Å; R277-E281 PolarHBondContact O-N 3.44Å |
| 278 | Q | 96.2 | Very high | 91.2 | Very high | 66 Ų | 66 | 71.4 Ų | 71.4 | 31% | 0.308 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58 | -50.7 | 176.5 | 178.4 | 174.8 | -42.7 | 0 | 0 | 111.8 | D250 E274 S280 E281 T282 | D250-Q278 PolarHBondContact OD1-NE2 2.82Å; E274-Q278 WeakPolarHBondContact O-CB 3.45Å; E274-Q278 PolarHBondContact O-N 3.42Å; Q278-S280 VanDerWaalsContact C-N 3.27Å; Q278-S280 PolarHBondContact O-N 2.96Å; Q278-E281 WeakPolarHBondContact O-CB 3.31Å; Q278-E281 PolarHBondContact O-N 3.1Å; Q278-E281 VanDerWaalsContact O-N 3.13Å; Q278-T282 PolarHBondContact O-N 3.34Å; Q278-T282 PolarHBondContact O-OG1 2.99Å |
| 279 | L | 96.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.1 | -40.9 | 177 | 176.6 | 60.7 | 0 | 0 | 0 | 112.1 | P231 I247 D250 Y251 L254 L275 I283 | P231-L279 HydrophobicContact CG-CD1 4.41Å; P231-L279 HydrophobicContact CG-CD2 4.04Å; I247-L279 HydrophobicContact CG2-CD1 3.98Å; D250-L279 HydrophobicContact CB-CB 4.1Å; D250-L279 HydrophobicContact CB-CD1 3.69Å; D250-L279 HydrophobicContact CB-CG 4.48Å; Y251-L279 HydrophobicContact CD2-CD2 3.87Å; Y251-L279 HydrophobicContact CG-CD2 4.45Å; L254-L279 HydrophobicContact CD2-CD2 3.55Å; L275-L279 VanDerWaalsContact O-CB 3.3Å; L275-L279 WeakPolarHBondContact O-CB 3.49Å; L275-L279 PolarHBondContact O-N 3.41Å; L279-I283 HydrophobicContact CD1-CD1 3.97Å; L279-I283 HydrophobicContact CD1-CG1 4.31Å; L279-I283 HydrophobicContact CG-CD1 3.96Å; L279-I283 WeakPolarHBondContact O-CB 3.49Å; L279-I283 WeakPolarHBondContact O-CD1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 2.97Å |
| 280 | S | 95.5 | Very high | 88.8 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 177.6 | -56.4 | 0 | 0 | 0 | 0 | 112 | R276 R277 Q278 I283 L284 | R276-S280 WeakPolarHBondContact O-CB 3.45Å; R276-S280 PolarHBondContact O-N 3.47Å; R276-S280 VanDerWaalsContact O-N 3.11Å; R276-S280 PolarHBondContact O-OG 3.19Å; R277-S280 WeakPolarHBondContact O-CB 3.17Å; R277-S280 PolarHBondContact O-N 3.11Å; Q278-S280 VanDerWaalsContact C-N 3.27Å; Q278-S280 PolarHBondContact O-N 2.96Å; S280-I283 PolarHBondContact O-N 2.82Å; S280-L284 WeakPolarHBondContact O-CG 3.46Å; S280-L284 PolarHBondContact O-N 3.2Å |
| 281 | E | 95.3 | Very high | 86.9 | Confident | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 174.8 | -172.4 | 176.5 | 171.3 | 0 | 0 | 111.3 | R277 Q278 I283 L284 A285 | R277-E281 IonicContact CZ-OE2 3.62Å; R277-E281 IonicContact NH1-OE2 2.68Å; R277-E281 PolarHBondContact NH1-OE2 2.97Å; R277-E281 IonicContact NH2-OE2 3.73Å; R277-E281 WeakPolarHBondContact O-CB 3.44Å; R277-E281 PolarHBondContact O-N 3.44Å; Q278-E281 WeakPolarHBondContact O-CB 3.31Å; Q278-E281 PolarHBondContact O-N 3.1Å; Q278-E281 VanDerWaalsContact O-N 3.13Å; E281-I283 PolarHBondContact O-N 3.01Å; E281-L284 PolarHBondContact O-N 3.1Å; E281-A285 VanDerWaalsContact O-CB 3.32Å; E281-A285 WeakPolarHBondContact O-CB 3.41Å; E281-A285 PolarHBondContact O-N 3.43Å |
| 282 | T | 94.8 | Very high | 84.2 | Confident | 29 Ų | 29 | 82 Ų | 82 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 175.4 | -61.9 | 0 | 0 | 0 | 0 | 112 | R246 I247 D250 Q278 A285 E286 | R246-T282 HydrophobicContact CB-CG2 3.98Å; I247-T282 HydrophobicContact CG1-CG2 3.87Å; D250-T282 WeakPolarHBondContact OD2-CB 3.34Å; D250-T282 WeakPolarHBondContact OD2-CG2 3.34Å; D250-T282 PolarHBondContact OD2-OG1 3.34Å; Q278-T282 PolarHBondContact O-N 3.34Å; Q278-T282 PolarHBondContact O-OG1 2.99Å; T282-A285 PolarHBondContact O-N 3.14Å; T282-E286 HydrophobicContact CG2-CG 4.07Å; T282-E286 VanDerWaalsContact O-CB 3.25Å; T282-E286 WeakPolarHBondContact O-CB 3.43Å; T282-E286 VanDerWaalsContact O-CG 3.27Å; T282-E286 WeakPolarHBondContact O-CG 3.49Å; T282-E286 PolarHBondContact O-N 2.98Å |
| 283 | I | 94.1 | Very high | 83.7 | Confident | 20 Ų | 20 | 84 Ų | 84 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 175.7 | -70.4 | 162.3 | 0 | 0 | 0 | 110.3 | P231 I247 L279 S280 E281 A285 T287 | P231-I283 HydrophobicContact CB-CD1 4.23Å; P231-I283 HydrophobicContact CG-CD1 4.16Å; P231-I283 WeakPolarHBondContact O-CD1 3.5Å; I247-I283 HydrophobicContact CD1-CG1 4.12Å; I247-I283 HydrophobicContact CG1-CG1 4.07Å; I247-I283 HydrophobicContact CG2-CD1 4.41Å; I247-I283 HydrophobicContact CG2-CG1 3.92Å; L279-I283 HydrophobicContact CD1-CD1 3.97Å; L279-I283 HydrophobicContact CD1-CG1 4.31Å; L279-I283 HydrophobicContact CG-CD1 3.96Å; L279-I283 WeakPolarHBondContact O-CB 3.49Å; L279-I283 WeakPolarHBondContact O-CD1 3.28Å; L279-I283 WeakPolarHBondContact O-CG1 3.42Å; L279-I283 PolarHBondContact O-N 2.97Å; S280-I283 PolarHBondContact O-N 2.82Å; E281-I283 PolarHBondContact O-N 3.01Å; I283-A285 PolarHBondContact O-N 3.25Å; I283-T287 HydrophobicContact CG2-CG2 4.15Å; I283-T287 VanDerWaalsContact O-CB 3.26Å; I283-T287 WeakPolarHBondContact O-CB 3.31Å; I283-T287 WeakPolarHBondContact O-CG2 3.42Å; I283-T287 PolarHBondContact O-N 2.8Å; I283-T287 PolarHBondContact O-OG1 3.49Å |
| 284 | L | 92.2 | Very high | 83 | Confident | 129 Ų | 129 | 83.3 Ų | 83.3 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.4 | -38.5 | -179.6 | -69.8 | 171.2 | 0 | 0 | 0 | 112.9 | S280 E281 T287 | S280-L284 WeakPolarHBondContact O-CG 3.46Å; S280-L284 PolarHBondContact O-N 3.2Å; E281-L284 PolarHBondContact O-N 3.1Å; L284-T287 PolarHBondContact O-OG1 3.44Å |
| 285 | A | 91.3 | Very high | 82.3 | Confident | 64 Ų | 64 | 83.7 Ų | 83.7 | 53% | 0.529 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.5 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | E281 T282 I283 N288 | E281-A285 VanDerWaalsContact O-CB 3.32Å; E281-A285 WeakPolarHBondContact O-CB 3.41Å; E281-A285 PolarHBondContact O-N 3.43Å; T282-A285 PolarHBondContact O-N 3.14Å; I283-A285 PolarHBondContact O-N 3.25Å; A285-N288 PolarHBondContact O-ND2 2.97Å |
| 286 | E | 90.2 | Very high | 81.4 | Confident | 27 Ų | 27 | 88.2 Ų | 88.2 | 13% | 0.126 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -78.8 | -30.3 | -179 | -71.6 | -62.6 | 146.4 | 0 | 0 | 113.1 | L239 S243 R246 I247 T282 N288 | L239-E286 HydrophobicContact CD2-CB 4.5Å; S243-E286 VanDerWaalsContact CA-OE2 3.23Å; S243-E286 WeakPolarHBondContact CA-OE2 3.47Å; S243-E286 WeakPolarHBondContact CB-OE2 3.38Å; S243-E286 PolarHBondContact OG-OE2 2.87Å; R246-E286 WeakPolarHBondContact CD-OE1 3.42Å; R246-E286 IonicContact CZ-OE1 3.66Å; R246-E286 IonicContact NE-OE1 3.69Å; R246-E286 IonicContact NH1-OE1 3.28Å; R246-E286 PolarHBondContact NH1-OE1 2.89Å; I247-E286 HydrophobicContact CD1-CB 4.23Å; T282-E286 HydrophobicContact CG2-CG 4.07Å; T282-E286 VanDerWaalsContact O-CB 3.25Å; T282-E286 WeakPolarHBondContact O-CB 3.43Å; T282-E286 VanDerWaalsContact O-CG 3.27Å; T282-E286 WeakPolarHBondContact O-CG 3.49Å; T282-E286 PolarHBondContact O-N 2.98Å; E286-N288 VanDerWaalsContact C-N 3.29Å; E286-N288 PolarHBondContact O-N 3.47Å; E286-N288 PolarHBondContact O-ND2 3.15Å |
| 287 | T | 84 | Confident | 80.4 | Confident | 15 Ų | 15 | 86.8 Ų | 86.8 | 9% | 0.092 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68 | -24.5 | -175 | 43.1 | 0 | 0 | 0 | 0 | 114.3 | Q237 L239 I283 L284 F289 | Q237-T287 VanDerWaalsContact NE2-CB 3.33Å; Q237-T287 PolarHBondContact NE2-O 3.32Å; Q237-T287 VanDerWaalsContact OE1-CG2 3.25Å; L239-T287 HydrophobicContact CD2-CG2 3.97Å; I283-T287 HydrophobicContact CG2-CG2 4.15Å; I283-T287 VanDerWaalsContact O-CB 3.26Å; I283-T287 WeakPolarHBondContact O-CB 3.31Å; I283-T287 WeakPolarHBondContact O-CG2 3.42Å; I283-T287 PolarHBondContact O-N 2.8Å; I283-T287 PolarHBondContact O-OG1 3.49Å; L284-T287 PolarHBondContact O-OG1 3.44Å; T287-F289 PolarHBondContact O-N 3.39Å |
| 288 | N | 65.6 | Low | 79.3 | Confident | 118 Ų | 118 | 84.6 Ų | 84.6 | 63% | 0.631 | 46% | 0.455 | S | S | * | . | trans | 53.9 | -15.4 | 167.4 | -84.6 | -79.9 | 0 | 0 | 0 | 119.6 | A285 E286 | A285-N288 PolarHBondContact O-ND2 2.97Å; E286-N288 VanDerWaalsContact C-N 3.29Å; E286-N288 PolarHBondContact O-N 3.47Å; E286-N288 PolarHBondContact O-ND2 3.15Å | ||
| 289 | F | 58.9 | Low | 78.1 | Confident | 169 Ų | 169 | 85.9 Ų | 85.9 | 74% | 0.741 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -130.9 | 130.9 | 174.6 | -66.3 | -84.6 | 0 | 0 | 0 | 108.3 | Q237 T287 C291 | Q237-F289 PolarHBondContact NE2-O 3.24Å; T287-F289 PolarHBondContact O-N 3.39Å; F289-C291 PolarHBondContact O-N 3.07Å |
| 290 | K | 50.5 | Low | 76.7 | Confident | 191 Ų | 191 | 91.9 Ų | 91.9 | 83% | 0.83 | 50% | 0.498 | S | S | * | . | trans | -54.2 | 135.8 | 174 | -63.3 | 172.3 | -178.6 | 176.7 | 0 | 108.7 | V292 | K290-V292 HydrophobicContact CB-CG2 3.77Å; K290-V292 PolarHBondContact O-N 3.31Å | ||
| 291 | C | 47.7 | Very low | 75.1 | Confident | 70 Ų | 70 | 94.8 Ų | 94.8 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | trans | -66.2 | 123.8 | 155.5 | -59 | 0 | 0 | 0 | 0 | 107.4 | C234 F289 | C234-C291 HydrophobicContact CB-CB 4.45Å; C234-C291 WeakPolarHBondContact CB-SG 3.47Å; C234-C291 WeakPolarHBondContact SG-CB 3.25Å; C234-C291 CovalentContact SG-SG 2.03Å; C234-C291 PolarHBondContact SG-SG 3.26Å; F289-C291 PolarHBondContact O-N 3.07Å | ||
| 292 | V | 36.5 | Very low | 73.2 | Confident | 195 Ų | 195 | 93.4 Ų | 93.4 | 100% | 1.182 | 51% | 0.505 | S | S | * | . | trans | -134.4 | 0 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 106.5 | K290 | K290-V292 HydrophobicContact CB-CG2 3.77Å; K290-V292 PolarHBondContact O-N 3.31Å |
Retrieved 292 of 292 residues in 294.7 ms
(Link to these results)