| 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 | 42.5 | Very low | 50.5 | Low | 246 Ų | 246 | 166.2 Ų | 166.2 | 100% | 1.212 | 79% | 0.791 | S | S | * | * | 0 | 95.3 | 0 | -78.7 | 146.7 | 106.4 | 0 | 0 | 107.9 | |||||
| 2 | Y | 42.2 | Very low | 51.2 | Low | 238 Ų | 238 | 157.8 Ų | 157.8 | 93% | 0.933 | 76% | 0.764 | S | S | * | * | trans | -93.7 | 121 | 173.1 | -81 | -83.7 | 0 | 0 | 0 | 108.2 | ||||
| 3 | K | 46.6 | Very low | 51.7 | Low | 177 Ų | 177 | 151 Ų | 151 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -90.2 | 105.7 | 174.4 | -137.7 | -179.3 | 178.6 | -137.1 | 0 | 106.8 | E5 | K3-E5 WeakPolarHBondContact CE-OE1 3.45Å; K3-E5 IonicContact NZ-OE1 3.3Å; K3-E5 PolarHBondContact NZ-OE1 3.41Å; K3-E5 PolarHBondContact O-N 3.19Å | ||
| 4 | M | 55.2 | Low | 51.8 | Low | 170 Ų | 170 | 152.5 Ų | 152.5 | 84% | 0.837 | 74% | 0.743 | S | S | * | * | trans | -81.3 | 106.2 | 163.2 | -85.1 | -155.2 | -144.7 | 0 | 0 | 107.4 | Y6 | M4-Y6 PolarHBondContact O-N 3.23Š| ||
| 5 | E | 55.9 | Low | 52 | Low | 139 Ų | 139 | 152.1 Ų | 152.1 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | -77.9 | 114.3 | 168.1 | -68.4 | -74 | 157.7 | 0 | 0 | 107.9 | K3 S7 | K3-E5 WeakPolarHBondContact CE-OE1 3.45Å; K3-E5 IonicContact NZ-OE1 3.3Å; K3-E5 PolarHBondContact NZ-OE1 3.41Å; K3-E5 PolarHBondContact O-N 3.19Å; E5-S7 PolarHBondContact O-N 2.76Å | ||
| 6 | Y | 44.6 | Very low | 52.4 | Low | 193 Ų | 193 | 148.6 Ų | 148.6 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | -74.3 | 102.8 | 178.1 | -103.4 | -99.2 | 0 | 0 | 0 | 109.9 | M4 Y8 | M4-Y6 PolarHBondContact O-N 3.23Å; Y6-Y8 HydrophobicContact CD1-CD2 4.48Å; Y6-Y8 PolarHBondContact O-N 3.45Å | ||
| 7 | S | 52.9 | Low | 52.6 | Low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -77.3 | 33.9 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | E5 | E5-S7 PolarHBondContact O-N 2.76Š| ||
| 8 | Y | 52.1 | Low | 52.8 | Low | 208 Ų | 208 | 143.6 Ų | 143.6 | 82% | 0.816 | 72% | 0.719 | S | S | * | * | trans | -97.2 | 10.5 | -178.6 | -103.7 | -80.5 | 0 | 0 | 0 | 115 | Y6 | Y6-Y8 HydrophobicContact CD1-CD2 4.48Å; Y6-Y8 PolarHBondContact O-N 3.45Å | ||
| 9 | L | 54.3 | Low | 53.2 | Low | 155 Ų | 155 | 140.7 Ų | 140.7 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | trans | -111.8 | 49.9 | 174.4 | -81.1 | 154.8 | 0 | 0 | 0 | 111.2 | S11 | L9-S11 PolarHBondContact O-N 3.12Å; L9-S11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | N | 50.8 | Low | 53.1 | Low | 119 Ų | 119 | 136.4 Ų | 136.4 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -80.3 | 77.9 | 162.6 | -170.4 | 32.2 | 0 | 0 | 0 | 109.1 | S12 | N10-S12 VanDerWaalsContact CG-OG 3.25Å; N10-S12 PolarHBondContact ND2-OG 3.25Å; N10-S12 PolarHBondContact O-N 3.38Å; N10-S12 VanDerWaalsContact O-N 3.16Å; N10-S12 PolarHBondContact OD1-OG 2.99Å | ||
| 11 | S | 58.8 | Low | 53.2 | Low | 69 Ų | 69 | 137 Ų | 137 | 48% | 0.483 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.3 | -7.7 | 176.5 | -72 | 0 | 0 | 0 | 0 | 114.4 | L9 A13 Y14 E15 | L9-S11 PolarHBondContact O-N 3.12Å; L9-S11 VanDerWaalsContact O-N 3.09Å; S11-A13 PolarHBondContact O-N 3.45Å; S11-Y14 PolarHBondContact O-N 3.39Å; S11-E15 PolarHBondContact O-N 2.97Å |
| 12 | S | 58.4 | Low | 53.4 | Low | 66 Ų | 66 | 130.7 Ų | 130.7 | 46% | 0.462 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -67.1 | -32.6 | -174.9 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | N10 S16 | N10-S12 VanDerWaalsContact CG-OG 3.25Å; N10-S12 PolarHBondContact ND2-OG 3.25Å; N10-S12 PolarHBondContact O-N 3.38Å; N10-S12 VanDerWaalsContact O-N 3.16Å; N10-S12 PolarHBondContact OD1-OG 2.99Å; S12-S16 PolarHBondContact O-N 3.34Å |
| 13 | A | 57.4 | Low | 54 | Low | 69 Ų | 69 | 125.5 Ų | 125.5 | 57% | 0.57 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.1 | -25.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S11 | S11-A13 PolarHBondContact O-N 3.45Å |
| 14 | Y | 53.7 | Low | 54.3 | Low | 172 Ų | 172 | 121.1 Ų | 121.1 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -86.2 | -31 | 179.9 | -154.2 | -91.4 | 0 | 0 | 0 | 111.9 | S11 C17 M18 | S11-Y14 PolarHBondContact O-N 3.39Å; Y14-C17 PolarHBondContact O-SG 3.25Å; Y14-M18 HydrophobicContact CE1-CG 4.38Å; Y14-M18 HydrophobicContact CE1-SD 4.27Å |
| 15 | E | 55.2 | Low | 54.2 | Low | 146 Ų | 146 | 117.2 Ų | 117.2 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.9 | -36.9 | 172.4 | -78.3 | -170.4 | 116.2 | 0 | 0 | 112.3 | S11 C17 M18 A19 | S11-E15 PolarHBondContact O-N 2.97Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 3.48Å; E15-M18 PolarHBondContact O-N 3.48Å; E15-A19 VanDerWaalsContact O-CB 3.32Å; E15-A19 WeakPolarHBondContact O-CB 3.46Å; E15-A19 PolarHBondContact O-N 3.45Å |
| 16 | S | 58 | Low | 54 | Low | 96 Ų | 96 | 116.4 Ų | 116.4 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.5 | -29.3 | 178.2 | -87.8 | 0 | 0 | 0 | 0 | 114.4 | S12 | S12-S16 PolarHBondContact O-N 3.34Å |
| 17 | C | 55.7 | Low | 54 | Low | 83 Ų | 83 | 110.8 Ų | 110.8 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.5 | -23.3 | 176.9 | 74.8 | 0 | 0 | 0 | 0 | 113.1 | Y14 E15 | Y14-C17 PolarHBondContact O-SG 3.25Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 3.48Å |
| 18 | M | 56.9 | Low | 53.8 | Low | 125 Ų | 125 | 110.2 Ų | 110.2 | 62% | 0.616 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -88.1 | -21.3 | 175.2 | -64.4 | -132 | 80.1 | 0 | 0 | 113.2 | Y14 E15 | Y14-M18 HydrophobicContact CE1-CG 4.38Å; Y14-M18 HydrophobicContact CE1-SD 4.27Å; E15-M18 PolarHBondContact O-N 3.48Å |
| 19 | A | 59.4 | Low | 53.5 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -10.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E15 | E15-A19 VanDerWaalsContact O-CB 3.32Å; E15-A19 WeakPolarHBondContact O-CB 3.46Å; E15-A19 PolarHBondContact O-N 3.45Å |
| 20 | G | 51 | Low | 53 | Low | 54 Ų | 54 | 106.1 Ų | 106.1 | 56% | 0.557 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 11.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 21 | M | 54.7 | Low | 52.9 | Low | 151 Ų | 151 | 104 Ų | 104 | 74% | 0.744 | 64% | 0.636 | S | S | * | * | trans | -98.8 | 93.2 | 172 | -72.3 | -177.4 | 154.1 | 0 | 0 | 109.2 | T23 | M21-T23 PolarHBondContact O-N 3.25Å; M21-T23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | D | 47 | Very low | 52.6 | Low | 112 Ų | 112 | 108.2 Ų | 108.2 | 60% | 0.599 | 65% | 0.653 | S | S | * | * | trans | -52.7 | 111.2 | 170.2 | 22.3 | -69.8 | 0 | 0 | 0 | 111.4 | S24 S25 | D22-S24 PolarHBondContact O-N 2.62Å; D22-S24 VanDerWaalsContact O-N 3.11Å; D22-S25 PolarHBondContact O-N 2.73Å | ||
| 23 | T | 56.2 | Low | 51.8 | Low | 129 Ų | 129 | 114 Ų | 114 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -4.1 | 176.9 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | M21 | M21-T23 PolarHBondContact O-N 3.25Å; M21-T23 VanDerWaalsContact O-N 3.12Å |
| 24 | S | 51.3 | Low | 51.3 | Low | 85 Ų | 85 | 116.5 Ų | 116.5 | 59% | 0.594 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -23.4 | 173.7 | 41.5 | 0 | 0 | 0 | 0 | 113.2 | D22 | D22-S24 PolarHBondContact O-N 2.62Å; D22-S24 VanDerWaalsContact O-N 3.11Å |
| 25 | S | 52.9 | Low | 50.9 | Low | 89 Ų | 89 | 113.7 Ų | 113.7 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -11 | 179.9 | -162.5 | 0 | 0 | 0 | 0 | 114.3 | D22 | D22-S25 PolarHBondContact O-N 2.73Š|
| 26 | L | 51.7 | Low | 50 | Low | 121 Ų | 121 | 111.6 Ų | 111.6 | 63% | 0.634 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -22.6 | 173.8 | -168.4 | 63.1 | 0 | 0 | 0 | 112.6 | S28 A29 | L26-S28 VanDerWaalsContact C-N 3.27Å; L26-S28 PolarHBondContact O-N 2.98Å; L26-A29 PolarHBondContact O-N 3.48Å |
| 27 | A | 46.5 | Very low | 49.9 | Very low | 76 Ų | 76 | 112.3 Ų | 112.3 | 63% | 0.628 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -19.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 28 | S | 47.4 | Very low | 49.4 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -3.6 | 178.4 | -63.9 | 0 | 0 | 0 | 0 | 114.9 | L26 | L26-S28 VanDerWaalsContact C-N 3.27Å; L26-S28 PolarHBondContact O-N 2.98Å |
| 29 | A | 45.7 | Very low | 48.9 | Very low | 74 Ų | 74 | 117 Ų | 117 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -93.7 | -2.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L26 | L26-A29 PolarHBondContact O-N 3.48Š|
| 30 | Y | 44.1 | Very low | 48.1 | Very low | 202 Ų | 202 | 117.9 Ų | 117.9 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -120.6 | 22.5 | -178.3 | -77.6 | -75.1 | 0 | 0 | 0 | 114 | ||
| 31 | A | 49.8 | Very low | 48.2 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -94.6 | 6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 32 | D | 50.8 | Low | 47.3 | Very low | 157 Ų | 157 | 121.2 Ų | 121.2 | 84% | 0.84 | 73% | 0.732 | S | S | * | * | trans | -146.8 | 81.6 | 176.3 | -86.9 | -54.6 | 0 | 0 | 0 | 113.5 | ||||
| 33 | F | 42.1 | Very low | 47.1 | Very low | 189 Ų | 189 | 125.3 Ų | 125.3 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | -153.1 | 81.9 | 138.7 | -144.7 | -97.5 | 0 | 0 | 0 | 110.8 | ||||
| 34 | S | 47.8 | Very low | 46.2 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -140.7 | 114.5 | 153 | -83.3 | 0 | 0 | 0 | 0 | 110 | ||
| 35 | S | 45 | Very low | 45.5 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 75.5 | 81.9 | 159.4 | -159.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 36 | C | 35.3 | Very low | 44.9 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -118.7 | 92.4 | 143.3 | 61.9 | 0 | 0 | 0 | 0 | 109.6 | Q38 | C36-Q38 PolarHBondContact O-N 2.9Š| ||
| 37 | S | 57.4 | Low | 44.2 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -67.3 | 86.8 | 157.3 | 55.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 38 | Q | 43.6 | Very low | 43.9 | Very low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -139.9 | 113.5 | 164.4 | -76.5 | -158.6 | 80.1 | 0 | 0 | 112.2 | C36 S40 | C36-Q38 PolarHBondContact O-N 2.9Å; Q38-S40 PolarHBondContact O-N 3.22Å | ||
| 39 | T | 47 | Very low | 43.4 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -41.2 | 116.8 | 152.8 | 165.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 40 | S | 43.6 | Very low | 43.2 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -170.6 | 127.5 | 145.7 | 11.1 | 0 | 0 | 0 | 0 | 109.5 | Q38 | Q38-S40 PolarHBondContact O-N 3.22Š| ||
| 41 | G | 52.6 | Low | 43 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -78.3 | 149.7 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 42 | F | 35.9 | Very low | 42.4 | Very low | 205 Ų | 205 | 143.8 Ų | 143.8 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | trans | -129.7 | 112.9 | 145 | -80.9 | -82.6 | 0 | 0 | 0 | 107.8 | Y44 | F42-Y44 PolarHBondContact O-N 3.03Š| ||
| 43 | Q | 43.1 | Very low | 41.7 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -67.7 | 115.5 | 175.8 | -84.3 | 174.3 | -41.8 | 0 | 0 | 109.8 | ||||
| 44 | Y | 35.5 | Very low | 42 | Very low | 221 Ų | 221 | 137.8 Ų | 137.8 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -111.4 | 132.5 | 148 | -86.8 | -86.4 | 0 | 0 | 0 | 108.4 | F42 P46 | F42-Y44 PolarHBondContact O-N 3.03Å; Y44-P46 WeakPolarHBondContact O-CD 3.45Å | ||
| 45 | N | 37.2 | Very low | 42 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -90.4 | 107.5 | -165.9 | -169.2 | 14.1 | 0 | 0 | 0 | 110.5 | I47 | N45-I47 PolarHBondContact O-N 3.41Š| ||
| 46 | P | 40 | Very low | 41.8 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -83.7 | 107.3 | 162.3 | 31.3 | -30.9 | 0 | 0 | 0 | 108.9 | Y44 R48 | Y44-P46 WeakPolarHBondContact O-CD 3.45Å; P46-R48 PolarHBondContact O-N 3.46Å | ||
| 47 | I | 38.2 | Very low | 41.9 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -62.9 | 110.2 | 169.4 | -70.3 | -167.2 | 0 | 0 | 0 | 109.1 | N45 | N45-I47 PolarHBondContact O-N 3.41Š| ||
| 48 | R | 38.9 | Very low | 41.7 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | trans | 58 | 107.8 | 150.8 | -66.7 | -173.5 | 176.4 | -81.2 | -1.2 | 118.2 | P46 | P46-R48 PolarHBondContact O-N 3.46Š| ||
| 49 | T | 36.9 | Very low | 41.8 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | -144.4 | 110.9 | 113.6 | -29.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 50 | T | 42.5 | Very low | 41.8 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 57% | 0.571 | 80% | 0.8 | S | S | * | * | trans | -79.5 | 127.2 | 172.5 | 59.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 51 | F | 38.7 | Very low | 42.3 | Very low | 212 Ų | 212 | 137.1 Ų | 137.1 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | -165.1 | 117.5 | 128.8 | -103.5 | -74.2 | 0 | 0 | 0 | 107.2 | |||||
| 52 | G | 38 | Very low | 42.3 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -88.3 | 150.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 53 | A | 37.2 | Very low | 42.6 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | 173.7 | 99.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 54 | T | 47.7 | Very low | 42.7 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | 50.2 | 134.3 | 102.6 | 71.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 55 | S | 47.2 | Very low | 43 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 82.6 | 105.1 | 166 | 65.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 56 | G | 41.8 | Very low | 43.7 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 72.6 | 97.4 | 134.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | P58 | G56-P58 WeakPolarHBondContact O-CD 3.43Š| ||
| 57 | C | 37.7 | Very low | 44.4 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 92% | 0.919 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 117.6 | 161.7 | -56.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 58 | P | 51.8 | Low | 44.5 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 139.3 | 159 | 32 | -28.8 | 0 | 0 | 0 | 110 | G56 L60 | G56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-L60 PolarHBondContact O-N 3.08Å |
| 59 | S | 47 | Very low | 44.7 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 126.8 | 179.1 | -179 | 0 | 0 | 0 | 0 | 113 | T61 | S59-T61 PolarHBondContact O-N 2.94Š|
| 60 | L | 45.4 | Very low | 45.4 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -81.3 | 115.4 | 171.4 | -67.5 | 171.9 | 0 | 0 | 0 | 110.2 | P58 | P58-L60 PolarHBondContact O-N 3.08Š| ||
| 61 | T | 55 | Low | 45.7 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 82% | 0.823 | S | S | * | * | trans | -79.2 | 158.6 | 159.7 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | S59 G63 | S59-T61 PolarHBondContact O-N 2.94Å; T61-G63 PolarHBondContact O-N 3.17Å | ||
| 62 | P | 52.9 | Low | 46.1 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -80.5 | 106.9 | -175.7 | 30.8 | -29.6 | 0 | 0 | 0 | 110.4 | ||||
| 63 | G | 41.6 | Very low | 46.7 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -108.9 | 121.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T61 | T61-G63 PolarHBondContact O-N 3.17Š| ||
| 64 | S | 44.8 | Very low | 46.8 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -13.9 | 128.9 | 160 | -169.4 | 0 | 0 | 0 | 0 | 117.7 | S66 | S64-S66 PolarHBondContact O-N 3.07Å; S64-S66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | C | 42.5 | Very low | 46.8 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 91% | 0.905 | 82% | 0.815 | S | S | * | * | trans | -76.2 | 88.4 | 170 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 66 | S | 52.6 | Low | 46.9 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -92.2 | 120.8 | 165.6 | -63 | 0 | 0 | 0 | 0 | 110.2 | S64 G68 | S64-S66 PolarHBondContact O-N 3.07Å; S64-S66 VanDerWaalsContact O-N 3.11Å; S66-G68 PolarHBondContact O-N 3.43Å | ||
| 67 | L | 53.4 | Low | 47.8 | Very low | 180 Ų | 180 | 135 Ų | 135 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | -48.8 | 115.6 | 170.4 | -125.8 | 94 | 0 | 0 | 0 | 110.2 | ||||
| 68 | G | 41 | Very low | 48.3 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -81.6 | 118.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S66 | S66-G68 PolarHBondContact O-N 3.43Š| ||
| 69 | T | 43.5 | Very low | 48.4 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | -60.7 | 142.5 | 172.7 | 43.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 70 | L | 50.7 | Low | 48.9 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | 1.1 | 113.2 | 150.8 | -94.5 | 152.6 | 0 | 0 | 0 | 115.8 | ||||
| 71 | R | 49.7 | Very low | 49.6 | Very low | 242 Ų | 242 | 133.7 Ų | 133.7 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 116.3 | 160.5 | -176.6 | 67.3 | 69.9 | -176.6 | 2.6 | 108.7 | ||
| 72 | D | 45.8 | Very low | 49.6 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 164.8 | 176.7 | -135.2 | -73.9 | 0 | 0 | 0 | 113.9 | ||
| 73 | H | 50.5 | Low | 49.2 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 143.8 | -155.8 | -72.9 | -115.9 | 0 | 0 | 0 | 117.8 | ||
| 74 | Q | 41.1 | Very low | 50 | Low | 193 Ų | 193 | 143.1 Ų | 143.1 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -120.2 | 111.4 | 144.6 | -89.2 | -107 | 36.1 | 0 | 0 | 107.9 | S76 | Q74-S76 PolarHBondContact O-N 2.97Š| ||
| 75 | S | 45.7 | Very low | 50.3 | Low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -67.4 | 115.8 | -180 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 76 | S | 50.9 | Low | 50.4 | Low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -92.8 | 119.6 | 163 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | Q74 Y78 | Q74-S76 PolarHBondContact O-N 2.97Å; S76-Y78 PolarHBondContact O-N 3.16Å | ||
| 77 | P | 60.6 | Low | 50.5 | Low | 118 Ų | 118 | 149.3 Ų | 149.3 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -97.8 | 76.2 | -177.6 | 36.8 | -28.9 | 0 | 0 | 0 | 109.8 | ||||
| 78 | Y | 47.8 | Very low | 50.3 | Low | 227 Ų | 227 | 146.9 Ų | 146.9 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -164.7 | 146.2 | 153.7 | -134.6 | -105.4 | 0 | 0 | 0 | 111.4 | S76 | S76-Y78 PolarHBondContact O-N 3.16Š| ||
| 79 | A | 54.3 | Low | 50.8 | Low | 81 Ų | 81 | 151.2 Ų | 151.2 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | 83.9 | 53.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | V81 | A79-V81 PolarHBondContact O-N 3.34Š| ||
| 80 | A | 56.1 | Low | 51.2 | Low | 108 Ų | 108 | 148 Ų | 148 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -69.4 | 97.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 81 | V | 60 | Low | 51.1 | Low | 95 Ų | 95 | 143.3 Ų | 143.3 | 58% | 0.576 | 78% | 0.781 | S | S | * | * | trans | -107.9 | 122.6 | 157.2 | -77.2 | 0 | 0 | 0 | 0 | 108.1 | A79 Y83 | A79-V81 PolarHBondContact O-N 3.34Å; V81-Y83 HydrophobicContact CB-CD2 4.34Å; V81-Y83 HydrophobicContact CB-CE2 4.07Å; V81-Y83 HydrophobicContact CG2-CD2 3.91Å; V81-Y83 HydrophobicContact CG2-CE2 3.63Å; V81-Y83 PolarHBondContact O-N 2.91Å | ||
| 82 | P | 55.4 | Low | 51.4 | Low | 129 Ų | 129 | 138.2 Ų | 138.2 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -81.7 | 91.6 | -172.4 | 32.9 | -31.9 | 0 | 0 | 0 | 109.5 | K84 | P82-K84 PolarHBondContact O-N 2.74Š| ||
| 83 | Y | 44.5 | Very low | 51.5 | Low | 195 Ų | 195 | 139.4 Ų | 139.4 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -89.1 | 79.1 | 168.8 | -75 | -75.8 | 0 | 0 | 0 | 110.8 | V81 | V81-Y83 HydrophobicContact CB-CD2 4.34Å; V81-Y83 HydrophobicContact CB-CE2 4.07Å; V81-Y83 HydrophobicContact CG2-CD2 3.91Å; V81-Y83 HydrophobicContact CG2-CE2 3.63Å; V81-Y83 PolarHBondContact O-N 2.91Å | ||
| 84 | K | 58.6 | Low | 51.8 | Low | 199 Ų | 199 | 139.1 Ų | 139.1 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | -137.4 | 68.5 | 159.9 | -67.1 | -67.2 | -175.5 | 177.1 | 0 | 109.9 | P82 | P82-K84 PolarHBondContact O-N 2.74Š| ||
| 85 | L | 51.8 | Low | 52.4 | Low | 152 Ų | 152 | 138.9 Ų | 138.9 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -162.1 | 40.4 | 156.5 | -152.3 | 57 | 0 | 0 | 0 | 116.9 | ||||
| 86 | F | 45 | Very low | 53 | Low | 182 Ų | 182 | 145 Ų | 145 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -132.7 | 78.3 | 160.5 | -68.7 | -73.2 | 0 | 0 | 0 | 110.1 | ||||
| 87 | T | 55 | Low | 53.6 | Low | 141 Ų | 141 | 149.4 Ų | 149.4 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -66.6 | 134.3 | 141.6 | -63.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 88 | D | 47.9 | Very low | 54.3 | Low | 129 Ų | 129 | 150.7 Ų | 150.7 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | trans | 90 | 85.3 | 176.2 | -145.5 | -87.3 | 0 | 0 | 0 | 117.3 | ||||
| 89 | H | 51.4 | Low | 56 | Low | 168 Ų | 168 | 150.5 Ų | 150.5 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | trans | -140 | 98.9 | 132.6 | -72.9 | -51 | 0 | 0 | 0 | 107.7 | ||||
| 90 | G | 51.6 | Low | 57.4 | Low | 65 Ų | 65 | 157.2 Ų | 157.2 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -53.5 | 141.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 91 | G | 49.5 | Very low | 58.9 | Low | 73 Ų | 73 | 158.6 Ų | 158.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 100.2 | 2.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||
| 92 | L | 55.4 | Low | 60.4 | Low | 135 Ų | 135 | 164.7 Ų | 164.7 | 71% | 0.707 | 79% | 0.79 | S | S | * | * | trans | -123.5 | 9.5 | -168.8 | -57.1 | -179.5 | 0 | 0 | 0 | 117.9 | ||||
| 93 | N | 48.9 | Very low | 62.2 | Low | 155 Ų | 155 | 160.8 Ų | 160.8 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -103.6 | 10.6 | 177.1 | -74.3 | -62.2 | 0 | 0 | 0 | 115.2 | K95 | N93-K95 PolarHBondContact O-N 2.91Å; N93-K95 VanDerWaalsContact O-N 3.16Å | ||
| 94 | E | 56.8 | Low | 64.6 | Low | 164 Ų | 164 | 157.3 Ų | 157.3 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 12.8 | -179.6 | -147 | 68.5 | -175.3 | 0 | 0 | 114.1 | ||
| 95 | K | 53.3 | Low | 66.5 | Low | 187 Ų | 187 | 150.9 Ų | 150.9 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 9.2 | -178.9 | -66.5 | 171.2 | -179.2 | 172.2 | 0 | 113.2 | N93 K97 | N93-K95 PolarHBondContact O-N 2.91Å; N93-K95 VanDerWaalsContact O-N 3.16Å; K95-K97 VanDerWaalsContact C-N 3.28Å; K95-K97 PolarHBondContact O-N 2.77Å |
| 96 | R | 59.1 | Low | 68.7 | Low | 230 Ų | 230 | 147.3 Ų | 147.3 | 87% | 0.868 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -80.3 | 74.1 | 172.3 | -163.8 | -179.4 | -145.4 | 149.8 | 5.5 | 110.2 | Q98 | R96-Q98 PolarHBondContact O-N 3.48Å; R96-Q98 VanDerWaalsContact O-N 3.11Å |
| 97 | K | 63.4 | Low | 71.2 | Confident | 204 Ų | 204 | 142.5 Ų | 142.5 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | trans | 26.2 | 73.9 | 167.5 | -82.8 | 169.2 | 175.8 | 171.8 | 0 | 113.7 | K95 R99 | K95-K97 VanDerWaalsContact C-N 3.28Å; K95-K97 PolarHBondContact O-N 2.77Å; K97-R99 PolarHBondContact O-N 3.39Å | ||
| 98 | Q | 74.8 | Confident | 73.2 | Confident | 145 Ų | 145 | 139.1 Ų | 139.1 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | -56.9 | 114.1 | 171 | -174 | 63.1 | 10.7 | 0 | 0 | 108.4 | R96 R100 | R96-Q98 PolarHBondContact O-N 3.48Å; R96-Q98 VanDerWaalsContact O-N 3.11Å; Q98-R100 PolarHBondContact O-N 2.78Å | ||
| 99 | R | 82.4 | Confident | 75.6 | Confident | 223 Ų | 223 | 134.3 Ų | 134.3 | 84% | 0.842 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.4 | 178.7 | -168.3 | 177.5 | -177.8 | -155.3 | 2.9 | 107.7 | K97 I101 | K97-R99 PolarHBondContact O-N 3.39Å; R99-I101 PolarHBondContact O-N 3.02Å |
| 100 | R | 83.8 | Confident | 77.9 | Confident | 223 Ų | 223 | 129.1 Ų | 129.1 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 130.5 | 178 | -73.3 | -170.4 | -172.4 | -148.4 | 4.7 | 109.4 | Q98 R102 | Q98-R100 PolarHBondContact O-N 2.78Å; R100-R102 PolarHBondContact O-N 3.37Å |
| 101 | I | 88.1 | Confident | 80.1 | Confident | 137 Ų | 137 | 132.8 Ų | 132.8 | 70% | 0.703 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.4 | 177.4 | -57.3 | -58.6 | 0 | 0 | 0 | 109 | R99 | R99-I101 PolarHBondContact O-N 3.02Š|
| 102 | R | 92.5 | Very high | 82.4 | Confident | 223 Ų | 223 | 130.9 Ų | 130.9 | 84% | 0.842 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 132.6 | 179.6 | -174.2 | 177.2 | 179.6 | -176.6 | 0.4 | 109.3 | R100 | R100-R102 PolarHBondContact O-N 3.37Š|
| 103 | T | 92.5 | Very high | 84.5 | Confident | 46 Ų | 46 | 124.4 Ų | 124.4 | 28% | 0.282 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 129.9 | 171 | -48.3 | 0 | 0 | 0 | 0 | 110.2 | F105 L137 R141 | T103-F105 HydrophobicContact CG2-CE1 4.22Å; T103-F105 HydrophobicContact CG2-CZ 4.49Å; T103-L137 HydrophobicContact CG2-CD2 4.06Å; T103-R141 VanDerWaalsContact OG1-CD 3.24Å; T103-R141 WeakPolarHBondContact OG1-CD 3.14Å |
| 104 | T | 95.2 | Very high | 86.8 | Confident | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 56% | 0.561 | S | S | * | * | trans | -104.7 | 125 | 168.5 | 52.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 105 | F | 97.3 | Very high | 88.8 | Confident | 64 Ų | 64 | 118.3 Ų | 118.3 | 28% | 0.281 | 54% | 0.543 | S | S | . | . | trans | -85.8 | 138.3 | -179.7 | -56 | -78.8 | 0 | 0 | 0 | 110.5 | T103 L110 L113 L137 W145 | T103-F105 HydrophobicContact CG2-CE1 4.22Å; T103-F105 HydrophobicContact CG2-CZ 4.49Å; F105-L110 HydrophobicContact CB-CD1 4.45Å; F105-L110 HydrophobicContact CB-CD2 3.72Å; F105-L110 HydrophobicContact CB-CG 3.83Å; F105-L110 HydrophobicContact CD2-CD2 4.34Å; F105-L110 HydrophobicContact CG-CD2 4.15Å; F105-L113 HydrophobicContact CD1-CD1 4.38Å; F105-L137 HydrophobicContact CD1-CD1 3.65Å; F105-L137 HydrophobicContact CE1-CD1 3.54Å; F105-W145 AromaticContact CD2-CD1 3.92Å; F105-W145 AromaticContact CE2-CD1 3.61Å; F105-W145 HydrophobicContact CZ-CB 4.23Å; F105-W145 AromaticContact CZ-CD1 3.81Å; F105-W145 HydrophobicContact CZ-CG 4.41Å | ||
| 106 | T | 98.3 | Very high | 90.9 | Very high | 77 Ų | 77 | 109.6 Ų | 109.6 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | trans | -74.4 | 162.2 | 170.8 | 76.7 | 0 | 0 | 0 | 0 | 110.5 | A108 Q109 L110 | T106-A108 VanDerWaalsContact C-N 3.29Å; T106-A108 PolarHBondContact O-N 3.1Å; T106-Q109 PolarHBondContact O-N 3Å; T106-Q109 VanDerWaalsContact OG1-CG 3.27Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.37Å; T106-Q109 PolarHBondContact OG1-N 3.36Å; T106-L110 WeakPolarHBondContact O-CG 3.49Å; T106-L110 PolarHBondContact O-N 3.46Å; T106-L110 VanDerWaalsContact O-N 3.08Å | ||
| 107 | S | 97.9 | Very high | 92.8 | Very high | 81 Ų | 81 | 99.2 Ų | 99.2 | 57% | 0.566 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.8 | -39.6 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | L110 K111 | S107-L110 PolarHBondContact O-N 3.44Å; S107-K111 WeakPolarHBondContact O-CG 3.25Å; S107-K111 PolarHBondContact O-N 3.44Å |
| 108 | A | 97.8 | Very high | 94.5 | Very high | 70 Ų | 70 | 93.6 Ų | 93.6 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | T106 L110 K111 E112 | T106-A108 VanDerWaalsContact C-N 3.29Å; T106-A108 PolarHBondContact O-N 3.1Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.22Å; A108-K111 PolarHBondContact O-N 3.28Å; A108-E112 PolarHBondContact O-N 2.89Å |
| 109 | Q | 98.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 92.9 Ų | 92.9 | 13% | 0.131 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 176.3 | -65.2 | 173.4 | -31.7 | 0 | 0 | 111.4 | T106 K111 E112 L113 I135 | T106-Q109 PolarHBondContact O-N 3Å; T106-Q109 VanDerWaalsContact OG1-CG 3.27Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.37Å; T106-Q109 PolarHBondContact OG1-N 3.36Å; Q109-K111 PolarHBondContact O-N 3.31Å; Q109-E112 PolarHBondContact O-N 3.47Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.47Å; Q109-L113 PolarHBondContact O-N 2.86Å; Q109-I135 HydrophobicContact CB-CB 4.42Å; Q109-I135 HydrophobicContact CG-CB 4.07Å; Q109-I135 PolarHBondContact NE2-O 3.15Å |
| 110 | L | 98.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 84.9 Ų | 84.9 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.6 | -68.7 | 174.5 | 0 | 0 | 0 | 112.3 | F105 T106 S107 A108 E112 L113 E114 W145 | F105-L110 HydrophobicContact CB-CD1 4.45Å; F105-L110 HydrophobicContact CB-CD2 3.72Å; F105-L110 HydrophobicContact CB-CG 3.83Å; F105-L110 HydrophobicContact CD2-CD2 4.34Å; F105-L110 HydrophobicContact CG-CD2 4.15Å; T106-L110 WeakPolarHBondContact O-CG 3.49Å; T106-L110 PolarHBondContact O-N 3.46Å; T106-L110 VanDerWaalsContact O-N 3.08Å; S107-L110 PolarHBondContact O-N 3.44Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.22Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 3.41Å; L110-L113 PolarHBondContact O-N 3.35Å; L110-E114 WeakPolarHBondContact O-CB 3.39Å; L110-E114 WeakPolarHBondContact O-CG 3.36Å; L110-E114 PolarHBondContact O-N 3.06Å; L110-W145 HydrophobicContact CD2-CZ2 4.33Å; L110-W145 VanDerWaalsContact CD2-NE1 3.32Å |
| 111 | K | 98.4 | Very high | 96.9 | Very high | 143 Ų | 143 | 77.4 Ų | 77.4 | 62% | 0.622 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.3 | -45.2 | 177.3 | -74.4 | 176.2 | -177.7 | 180 | 0 | 111.9 | S107 A108 Q109 E114 R115 | S107-K111 WeakPolarHBondContact O-CG 3.25Å; S107-K111 PolarHBondContact O-N 3.44Å; A108-K111 PolarHBondContact O-N 3.28Å; Q109-K111 PolarHBondContact O-N 3.31Å; K111-E114 PolarHBondContact O-N 3.39Å; K111-R115 WeakPolarHBondContact O-CB 3.24Å; K111-R115 PolarHBondContact O-N 3.3Å |
| 112 | E | 98.3 | Very high | 97.4 | Very high | 32 Ų | 32 | 78.3 Ų | 78.3 | 15% | 0.15 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 179.7 | -170.1 | 62.5 | -160.2 | 0 | 0 | 111.8 | A108 Q109 L110 E114 R115 V116 L131 K134 I135 | A108-E112 PolarHBondContact O-N 2.89Å; Q109-E112 PolarHBondContact O-N 3.47Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 3.41Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.26Å; E112-R115 WeakPolarHBondContact O-CB 3.36Å; E112-R115 PolarHBondContact O-N 3.47Å; E112-R115 IonicContact OE1-CZ 3.66Å; E112-R115 VanDerWaalsContact OE1-CZ 3.28Å; E112-R115 IonicContact OE1-NE 3.28Å; E112-R115 PolarHBondContact OE1-NE 3.34Å; E112-R115 IonicContact OE1-NH2 2.62Å; E112-R115 PolarHBondContact OE1-NH2 2.88Å; E112-R115 IonicContact OE2-NE 3.77Å; E112-R115 PolarHBondContact OE2-NE 3.28Å; E112-V116 PolarHBondContact O-N 3.39Å; E112-V116 VanDerWaalsContact O-N 3.15Å; E112-L131 HydrophobicContact CG-CD2 3.7Å; E112-K134 VanDerWaalsContact CD-NZ 3.31Å; E112-K134 HydrophobicContact CG-CD 4.19Å; E112-K134 WeakPolarHBondContact OE1-CE 3.25Å; E112-K134 IonicContact OE1-NZ 2.76Å; E112-K134 PolarHBondContact OE1-NZ 3.29Å; E112-K134 IonicContact OE2-NZ 3.53Å; E112-I135 HydrophobicContact CB-CG2 3.84Å; E112-I135 HydrophobicContact CG-CG2 3.81Å |
| 113 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 174.6 | -71.9 | 166.7 | 0 | 0 | 0 | 112 | F105 Q109 L110 F117 I135 V142 W145 F146 | F105-L113 HydrophobicContact CD1-CD1 4.38Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.47Å; Q109-L113 PolarHBondContact O-N 2.86Å; L110-L113 PolarHBondContact O-N 3.35Å; L113-F117 WeakPolarHBondContact O-CB 3.44Å; L113-F117 PolarHBondContact O-N 3.12Å; L113-I135 HydrophobicContact CD1-CD1 4.08Å; L113-I135 HydrophobicContact CD2-CD1 3.72Å; L113-I135 HydrophobicContact CG-CD1 3.75Å; L113-V142 HydrophobicContact CD2-CG1 3.97Å; L113-V142 HydrophobicContact CD2-CG2 4.47Å; L113-W145 HydrophobicContact CB-CD2 4.1Å; L113-W145 HydrophobicContact CB-CE3 3.98Å; L113-W145 HydrophobicContact CB-CH2 3.68Å; L113-W145 HydrophobicContact CB-CZ2 3.78Å; L113-W145 HydrophobicContact CB-CZ3 3.78Å; L113-W145 HydrophobicContact CD1-CD2 3.86Å; L113-W145 HydrophobicContact CD1-CE3 4.43Å; L113-W145 HydrophobicContact CD1-CG 3.9Å; L113-W145 HydrophobicContact CD1-CZ2 4.47Å; L113-W145 HydrophobicContact CD2-CD2 4.41Å; L113-W145 HydrophobicContact CD2-CE3 4.22Å; L113-W145 HydrophobicContact CG-CD2 4.36Å; L113-W145 HydrophobicContact CG-CE3 4.45Å; L113-F146 HydrophobicContact CD2-CD2 4.48Å; L113-F146 HydrophobicContact CD2-CE2 3.86Å |
| 114 | E | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.1 | -35 | 176.7 | -72.9 | -173.2 | 153.1 | 0 | 0 | 112.4 | L110 K111 E112 F117 A118 W145 R149 | L110-E114 WeakPolarHBondContact O-CB 3.39Å; L110-E114 WeakPolarHBondContact O-CG 3.36Å; L110-E114 PolarHBondContact O-N 3.06Å; K111-E114 PolarHBondContact O-N 3.39Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.26Å; E114-F117 PolarHBondContact O-N 3.46Å; E114-A118 PolarHBondContact O-N 3.14Å; E114-W145 HydrophobicContact CG-CH2 3.84Å; E114-W145 HydrophobicContact CG-CZ2 3.98Å; E114-R149 IonicContact OE1-CZ 3.62Å; E114-R149 IonicContact OE1-NH1 2.93Å; E114-R149 PolarHBondContact OE1-NH1 3.48Å; E114-R149 IonicContact OE1-NH2 3.89Å |
| 115 | R | 98.3 | Very high | 98.1 | Very high | 107 Ų | 107 | 67.1 Ų | 67.1 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.8 | -52 | 173 | -173.6 | -168.1 | 68.4 | 77.5 | -0.9 | 110.9 | K111 E112 F117 A118 E119 | K111-R115 WeakPolarHBondContact O-CB 3.24Å; K111-R115 PolarHBondContact O-N 3.3Å; E112-R115 WeakPolarHBondContact O-CB 3.36Å; E112-R115 PolarHBondContact O-N 3.47Å; E112-R115 IonicContact OE1-CZ 3.66Å; E112-R115 VanDerWaalsContact OE1-CZ 3.28Å; E112-R115 IonicContact OE1-NE 3.28Å; E112-R115 PolarHBondContact OE1-NE 3.34Å; E112-R115 IonicContact OE1-NH2 2.62Å; E112-R115 PolarHBondContact OE1-NH2 2.88Å; E112-R115 IonicContact OE2-NE 3.77Å; E112-R115 PolarHBondContact OE2-NE 3.28Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 2.8Å; R115-A118 WeakPolarHBondContact O-CB 3.39Å; R115-A118 PolarHBondContact O-N 2.78Å; R115-E119 IonicContact CZ-OE1 2.78Å; R115-E119 IonicContact NH1-OE1 2.77Å; R115-E119 PolarHBondContact NH1-OE1 3.02Å; R115-E119 IonicContact NH1-OE2 2.91Å; R115-E119 PolarHBondContact O-N 3.12Å |
| 116 | V | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.024 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.9 | -33.2 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | E112 A118 E119 T120 P123 T127 L131 F146 | E112-V116 PolarHBondContact O-N 3.39Å; E112-V116 VanDerWaalsContact O-N 3.15Å; V116-A118 VanDerWaalsContact C-N 3.26Å; V116-A118 PolarHBondContact O-N 2.81Å; V116-E119 WeakPolarHBondContact O-CB 3.42Å; V116-E119 PolarHBondContact O-N 3.38Å; V116-E119 VanDerWaalsContact O-N 3.1Å; V116-T120 HydrophobicContact CG1-CG2 4.48Å; V116-T120 PolarHBondContact O-N 3.25Å; V116-P123 HydrophobicContact CG1-CB 4.46Å; V116-T127 HydrophobicContact CG1-CG2 4.24Å; V116-L131 HydrophobicContact CB-CD1 3.89Å; V116-L131 HydrophobicContact CG1-CD1 3.81Å; V116-L131 HydrophobicContact CG2-CD1 3.81Å; V116-L131 HydrophobicContact CG2-CD2 3.84Å; V116-L131 HydrophobicContact CG2-CG 4.07Å; V116-F146 HydrophobicContact CB-CZ 4.26Å; V116-F146 HydrophobicContact CG1-CZ 4.08Å |
| 117 | F | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 71 Ų | 71 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.3 | -35.7 | 174.1 | -170.3 | -95.1 | 0 | 0 | 0 | 112.4 | L113 E114 R115 E119 T120 H121 W145 F146 R149 R150 F153 | L113-F117 WeakPolarHBondContact O-CB 3.44Å; L113-F117 PolarHBondContact O-N 3.12Å; E114-F117 PolarHBondContact O-N 3.46Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 2.8Å; F117-E119 VanDerWaalsContact C-N 3.27Å; F117-E119 PolarHBondContact O-N 2.95Å; F117-T120 CarbonylContact O-C 3.43Å; F117-H121 AromaticContact CD1-CD2 3.53Å; F117-H121 AromaticContact CD1-NE2 3.8Å; F117-H121 AromaticContact CD2-CD2 3.9Å; F117-H121 AromaticContact CE1-CD2 3.14Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.45Å; F117-H121 AromaticContact CE1-NE2 3.22Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.27Å; F117-H121 HydrophobicContact CE2-CB 4.03Å; F117-H121 AromaticContact CE2-CD2 3.54Å; F117-H121 AromaticContact CE2-CG 3.99Å; F117-H121 AromaticContact CG-CD2 3.9Å; F117-H121 HydrophobicContact CZ-CB 4.25Å; F117-H121 AromaticContact CZ-CD2 3.15Å; F117-H121 WeakPolarHBondContact CZ-CD2 3.45Å; F117-H121 AromaticContact CZ-CG 3.73Å; F117-H121 AromaticContact CZ-NE2 3.59Å; F117-H121 PolarHBondContact O-CD2 3.02Å; F117-W145 HydrophobicContact CB-CZ3 4.37Å; F117-W145 HydrophobicContact CD2-CZ3 4.47Å; F117-F146 HydrophobicContact CB-CE1 4.03Å; F117-F146 AromaticContact CD2-CD1 3.79Å; F117-F146 HydrophobicContact CD2-CD1 3.79Å; F117-F146 AromaticContact CD2-CE1 3.78Å; F117-F146 HydrophobicContact CD2-CE1 3.78Å; F117-F146 HydrophobicContact CE2-CD1 4.49Å; F117-F146 HydrophobicContact CG-CE1 4.41Å; F117-R149 HydrophobicContact CD1-CG 4.1Å; F117-R149 HydrophobicContact CD2-CB 4.28Å; F117-R149 HydrophobicContact CD2-CG 3.62Å; F117-R149 HydrophobicContact CE1-CG 3.95Å; F117-R149 HydrophobicContact CE2-CB 4.04Å; F117-R149 HydrophobicContact CE2-CG 3.47Å; F117-R149 VanDerWaalsContact CE2-CG 3.47Å; F117-R149 HydrophobicContact CG-CG 3.94Å; F117-R149 HydrophobicContact CZ-CG 3.65Å; F117-R150 HydrophobicContact CE2-CG 3.87Å; F117-R150 HydrophobicContact CZ-CG 4.39Å; F117-F153 HydrophobicContact CZ-CB 4.42Å |
| 118 | A | 98 | Very high | 98.2 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.3 | -29.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E114 R115 V116 | E114-A118 PolarHBondContact O-N 3.14Å; R115-A118 WeakPolarHBondContact O-CB 3.39Å; R115-A118 PolarHBondContact O-N 2.78Å; V116-A118 VanDerWaalsContact C-N 3.26Å; V116-A118 PolarHBondContact O-N 2.81Å |
| 119 | E | 97.6 | Very high | 98.2 | Very high | 131 Ų | 131 | 70.2 Ų | 70.2 | 61% | 0.612 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -79.1 | -46.9 | 175 | -68.6 | 167.2 | -157.7 | 0 | 0 | 111.7 | R115 V116 F117 | R115-E119 IonicContact CZ-OE1 2.78Å; R115-E119 IonicContact NH1-OE1 2.77Å; R115-E119 PolarHBondContact NH1-OE1 3.02Å; R115-E119 IonicContact NH1-OE2 2.91Å; R115-E119 PolarHBondContact O-N 3.12Å; V116-E119 WeakPolarHBondContact O-CB 3.42Å; V116-E119 PolarHBondContact O-N 3.38Å; V116-E119 VanDerWaalsContact O-N 3.1Å; F117-E119 VanDerWaalsContact C-N 3.27Å; F117-E119 PolarHBondContact O-N 2.95Å |
| 120 | T | 97.7 | Very high | 98.2 | Very high | 55 Ų | 55 | 75.4 Ų | 75.4 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | trans | -150.1 | 130.9 | 177 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | V116 F117 Y122 P123 | V116-T120 HydrophobicContact CG1-CG2 4.48Å; V116-T120 PolarHBondContact O-N 3.25Å; F117-T120 CarbonylContact O-C 3.43Å; T120-Y122 PolarHBondContact O-N 2.85Å; T120-Y122 PolarHBondContact OG1-N 3.23Å; T120-Y122 VanDerWaalsContact OG1-N 3.14Å; T120-Y122 PolarHBondContact OG1-O 3.1Å; T120-P123 HydrophobicContact CG2-CB 4.15Å | ||
| 121 | H | 97.9 | Very high | 98.2 | Very high | 65 Ų | 65 | 73 Ų | 73 | 30% | 0.301 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -72.3 | -18.1 | 172.8 | -62.6 | 158.6 | 0 | 0 | 0 | 112.8 | F117 R150 F153 | F117-H121 AromaticContact CD1-CD2 3.53Å; F117-H121 AromaticContact CD1-NE2 3.8Å; F117-H121 AromaticContact CD2-CD2 3.9Å; F117-H121 AromaticContact CE1-CD2 3.14Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.45Å; F117-H121 AromaticContact CE1-NE2 3.22Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.27Å; F117-H121 HydrophobicContact CE2-CB 4.03Å; F117-H121 AromaticContact CE2-CD2 3.54Å; F117-H121 AromaticContact CE2-CG 3.99Å; F117-H121 AromaticContact CG-CD2 3.9Å; F117-H121 HydrophobicContact CZ-CB 4.25Å; F117-H121 AromaticContact CZ-CD2 3.15Å; F117-H121 WeakPolarHBondContact CZ-CD2 3.45Å; F117-H121 AromaticContact CZ-CG 3.73Å; F117-H121 AromaticContact CZ-NE2 3.59Å; F117-H121 PolarHBondContact O-CD2 3.02Å; H121-R150 HydrophobicContact CB-CG 4.41Å; H121-R150 VanDerWaalsContact O-CD 3.3Å; H121-R150 WeakPolarHBondContact O-CD 3.44Å; H121-R150 PolarHBondContact O-NH1 3.15Å; H121-F153 AromaticContact CE1-CZ 3.94Å |
| 122 | Y | 98.3 | Very high | 98.2 | Very high | 157 Ų | 157 | 66.4 Ų | 66.4 | 62% | 0.616 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -128.3 | 71.9 | -175.7 | -65.6 | -92.8 | 0 | 0 | 0 | 110.5 | T120 R150 | T120-Y122 PolarHBondContact O-N 2.85Å; T120-Y122 PolarHBondContact OG1-N 3.23Å; T120-Y122 VanDerWaalsContact OG1-N 3.14Å; T120-Y122 PolarHBondContact OG1-O 3.1Å; Y122-R150 VanDerWaalsContact CE1-CD 3.49Å |
| 123 | P | 97.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 71.7 Ų | 71.7 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | trans | -66.7 | 141.4 | 177.3 | 28.8 | -36.3 | 0 | 0 | 0 | 111 | V116 T120 T127 R128 F146 | V116-P123 HydrophobicContact CG1-CB 4.46Å; T120-P123 HydrophobicContact CG2-CB 4.15Å; P123-T127 HydrophobicContact CB-CG2 4.09Å; P123-R128 HydrophobicContact CB-CG 4.04Å; P123-R128 HydrophobicContact CG-CG 3.84Å; P123-R128 PolarHBondContact O-NH1 3.35Å; P123-F146 HydrophobicContact CG-CD1 3.65Å; P123-F146 HydrophobicContact CG-CD2 4.09Å; P123-F146 HydrophobicContact CG-CE1 3.56Å; P123-F146 HydrophobicContact CG-CE2 4.02Å; P123-F146 HydrophobicContact CG-CG 3.93Å; P123-F146 HydrophobicContact CG-CZ 3.78Å | ||
| 124 | D | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 77.7 Ų | 77.7 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -72.9 | 167.3 | 177.2 | -171.4 | 27.4 | 0 | 0 | 0 | 112.2 | Y126 T127 R128 | D124-Y126 VanDerWaalsContact C-N 3.31Å; D124-Y126 PolarHBondContact O-N 3.33Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.27Å; D124-T127 PolarHBondContact O-N 2.93Å; D124-R128 WeakPolarHBondContact O-CG 3.3Å; D124-R128 PolarHBondContact O-N 3.24Å | ||
| 125 | I | 98.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 74.2 Ų | 74.2 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -51.3 | -47.9 | 179.8 | -174.4 | 61.4 | 0 | 0 | 0 | 112 | T127 R128 E129 E139 | I125-T127 PolarHBondContact O-N 3.08Å; I125-R128 VanDerWaalsContact CD1-NH2 3.33Å; I125-R128 PolarHBondContact O-N 3.39Å; I125-R128 VanDerWaalsContact O-N 3.16Å; I125-E129 HydrophobicContact CD1-CG 4.35Å; I125-E129 HydrophobicContact CG1-CG 4.47Å; I125-E129 WeakPolarHBondContact O-CG 3.39Å; I125-E129 PolarHBondContact O-N 3.01Å; I125-E139 HydrophobicContact CD1-CG 3.99Å; I125-E139 WeakPolarHBondContact CD1-OE1 3.39Å |
| 126 | Y | 98.4 | Very high | 98.1 | Very high | 169 Ų | 169 | 76 Ų | 76 | 66% | 0.663 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | -178.8 | -60.4 | -66.5 | 0 | 0 | 0 | 112.4 | D124 R128 E129 E130 | D124-Y126 VanDerWaalsContact C-N 3.31Å; D124-Y126 PolarHBondContact O-N 3.33Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.27Å; Y126-R128 VanDerWaalsContact C-N 3.28Å; Y126-R128 PolarHBondContact O-N 3.04Å; Y126-E129 PolarHBondContact O-N 2.68Å; Y126-E130 PolarHBondContact O-N 3.09Å |
| 127 | T | 98.1 | Very high | 98 | Very high | 54 Ų | 54 | 77.3 Ų | 77.3 | 33% | 0.331 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 176.4 | -48.8 | 0 | 0 | 0 | 0 | 111.6 | V116 P123 D124 I125 L131 | V116-T127 HydrophobicContact CG1-CG2 4.24Å; P123-T127 HydrophobicContact CB-CG2 4.09Å; D124-T127 PolarHBondContact O-N 2.93Å; I125-T127 PolarHBondContact O-N 3.08Å; T127-L131 WeakPolarHBondContact O-CB 3.47Å; T127-L131 PolarHBondContact O-N 3.32Å; T127-L131 VanDerWaalsContact O-N 3.08Å |
| 128 | R | 98.6 | Very high | 98 | Very high | 47 Ų | 47 | 80.9 Ų | 80.9 | 18% | 0.177 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 176.5 | -66.9 | -168.8 | -50.1 | -88.6 | -1.1 | 112 | P123 D124 I125 Y126 A132 E139 V142 | P123-R128 HydrophobicContact CB-CG 4.04Å; P123-R128 HydrophobicContact CG-CG 3.84Å; P123-R128 PolarHBondContact O-NH1 3.35Å; D124-R128 WeakPolarHBondContact O-CG 3.3Å; D124-R128 PolarHBondContact O-N 3.24Å; I125-R128 VanDerWaalsContact CD1-NH2 3.33Å; I125-R128 PolarHBondContact O-N 3.39Å; I125-R128 VanDerWaalsContact O-N 3.16Å; Y126-R128 VanDerWaalsContact C-N 3.28Å; Y126-R128 PolarHBondContact O-N 3.04Å; R128-A132 VanDerWaalsContact O-CB 3.24Å; R128-A132 WeakPolarHBondContact O-CB 3.45Å; R128-A132 PolarHBondContact O-N 3.45Å; R128-E139 HydrophobicContact CB-CG 4.05Å; R128-E139 IonicContact CZ-OE1 2.73Å; R128-E139 VanDerWaalsContact CZ-OE1 3.3Å; R128-E139 IonicContact NE-OE1 2.98Å; R128-E139 PolarHBondContact NE-OE1 3.16Å; R128-E139 IonicContact NH2-OE1 3.48Å; R128-E139 PolarHBondContact NH2-OE1 3.41Å; R128-V142 HydrophobicContact CB-CG1 4.26Å; R128-V142 HydrophobicContact CG-CG1 4.24Å |
| 129 | E | 98.6 | Very high | 98 | Very high | 88 Ų | 88 | 79 Ų | 79 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 175.7 | -73 | 176.7 | 165.3 | 0 | 0 | 111.6 | I125 Y126 L131 A132 L133 E139 | I125-E129 HydrophobicContact CD1-CG 4.35Å; I125-E129 HydrophobicContact CG1-CG 4.47Å; I125-E129 WeakPolarHBondContact O-CG 3.39Å; I125-E129 PolarHBondContact O-N 3.01Å; Y126-E129 PolarHBondContact O-N 2.68Å; E129-L131 PolarHBondContact O-N 2.82Å; E129-A132 WeakPolarHBondContact O-CB 3.38Å; E129-A132 PolarHBondContact O-N 3.23Å; E129-L133 WeakPolarHBondContact O-CG 3.43Å; E129-L133 PolarHBondContact O-N 3.02Å; E129-L133 VanDerWaalsContact O-N 3.07Å; E129-E139 HydrophobicContact CG-CB 4.48Å; E129-E139 HydrophobicContact CG-CG 4.08Å |
| 130 | E | 98.3 | Very high | 98 | Very high | 137 Ų | 137 | 74.6 Ų | 74.6 | 64% | 0.64 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60 | -45.9 | 175.2 | -173.7 | -174 | 177.3 | 0 | 0 | 111.7 | Y126 A132 L133 K134 | Y126-E130 PolarHBondContact O-N 3.09Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.41Å; E130-L133 PolarHBondContact O-N 3.4Å; E130-K134 WeakPolarHBondContact O-CB 3.47Å; E130-K134 PolarHBondContact O-N 2.96Å |
| 131 | L | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 76.2 Ų | 76.2 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 174.7 | -94.7 | 169.2 | 0 | 0 | 0 | 112.1 | E112 V116 T127 E129 L133 K134 I135 V142 F146 | E112-L131 HydrophobicContact CG-CD2 3.7Å; V116-L131 HydrophobicContact CB-CD1 3.89Å; V116-L131 HydrophobicContact CG1-CD1 3.81Å; V116-L131 HydrophobicContact CG2-CD1 3.81Å; V116-L131 HydrophobicContact CG2-CD2 3.84Å; V116-L131 HydrophobicContact CG2-CG 4.07Å; T127-L131 WeakPolarHBondContact O-CB 3.47Å; T127-L131 PolarHBondContact O-N 3.32Å; T127-L131 VanDerWaalsContact O-N 3.08Å; E129-L131 PolarHBondContact O-N 2.82Å; L131-L133 VanDerWaalsContact C-N 3.29Å; L131-L133 PolarHBondContact O-N 3.21Å; L131-K134 PolarHBondContact O-N 3.32Å; L131-K134 VanDerWaalsContact O-N 3.12Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.34Å; L131-I135 PolarHBondContact O-N 2.95Å; L131-V142 HydrophobicContact CB-CG1 4.49Å; L131-V142 HydrophobicContact CD1-CG1 4.43Å; L131-F146 HydrophobicContact CD1-CE2 4.15Å; L131-F146 HydrophobicContact CD1-CZ 4.33Å |
| 132 | A | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 73.1 Ų | 73.1 | 5% | 0.05 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R128 E129 E130 D136 L137 E139 V142 | R128-A132 VanDerWaalsContact O-CB 3.24Å; R128-A132 WeakPolarHBondContact O-CB 3.45Å; R128-A132 PolarHBondContact O-N 3.45Å; E129-A132 WeakPolarHBondContact O-CB 3.38Å; E129-A132 PolarHBondContact O-N 3.23Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.41Å; A132-D136 PolarHBondContact O-N 3.38Å; A132-D136 VanDerWaalsContact O-N 3.17Å; A132-L137 CarbonylContact C-O 3.47Å; A132-L137 WeakPolarHBondContact CB-O 3.37Å; A132-L137 PolarHBondContact O-N 3.31Å; A132-L137 VanDerWaalsContact O-O 3.09Å; A132-E139 HydrophobicContact CB-CB 4.46Å; A132-V142 HydrophobicContact CB-CG2 4Å |
| 133 | L | 98.3 | Very high | 98.1 | Very high | 142 Ų | 142 | 69.3 Ų | 69.3 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 173.2 | -66.1 | 171.8 | 0 | 0 | 0 | 111.8 | E129 E130 L131 I135 | E129-L133 WeakPolarHBondContact O-CG 3.43Å; E129-L133 PolarHBondContact O-N 3.02Å; E129-L133 VanDerWaalsContact O-N 3.07Å; E130-L133 PolarHBondContact O-N 3.4Å; L131-L133 VanDerWaalsContact C-N 3.29Å; L131-L133 PolarHBondContact O-N 3.21Å; L133-I135 VanDerWaalsContact C-N 3.3Å; L133-I135 PolarHBondContact O-N 3.42Å |
| 134 | K | 97.6 | Very high | 98.1 | Very high | 126 Ų | 126 | 72 Ų | 72 | 55% | 0.548 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -31.3 | -177.6 | -173.8 | 174.6 | -179.5 | -178.6 | 0 | 113.9 | E112 E130 L131 | E112-K134 VanDerWaalsContact CD-NZ 3.31Å; E112-K134 HydrophobicContact CG-CD 4.19Å; E112-K134 WeakPolarHBondContact OE1-CE 3.25Å; E112-K134 IonicContact OE1-NZ 2.76Å; E112-K134 PolarHBondContact OE1-NZ 3.29Å; E112-K134 IonicContact OE2-NZ 3.53Å; E130-K134 WeakPolarHBondContact O-CB 3.47Å; E130-K134 PolarHBondContact O-N 2.96Å; L131-K134 PolarHBondContact O-N 3.32Å; L131-K134 VanDerWaalsContact O-N 3.12Å |
| 135 | I | 97.6 | Very high | 98.1 | Very high | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 11.2 | -173.8 | 75.7 | -171.1 | 0 | 0 | 0 | 113.5 | Q109 E112 L113 L131 L133 L137 V142 | Q109-I135 HydrophobicContact CB-CB 4.42Å; Q109-I135 HydrophobicContact CG-CB 4.07Å; Q109-I135 PolarHBondContact NE2-O 3.15Å; E112-I135 HydrophobicContact CB-CG2 3.84Å; E112-I135 HydrophobicContact CG-CG2 3.81Å; L113-I135 HydrophobicContact CD1-CD1 4.08Å; L113-I135 HydrophobicContact CD2-CD1 3.72Å; L113-I135 HydrophobicContact CG-CD1 3.75Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.34Å; L131-I135 PolarHBondContact O-N 2.95Å; L133-I135 VanDerWaalsContact C-N 3.3Å; L133-I135 PolarHBondContact O-N 3.42Å; I135-L137 HydrophobicContact CD1-CD1 3.74Å; I135-L137 HydrophobicContact CD1-CG 4.46Å; I135-L137 HydrophobicContact CG1-CB 4.14Å; I135-L137 HydrophobicContact CG1-CD1 3.77Å; I135-L137 HydrophobicContact CG1-CG 3.95Å; I135-V142 HydrophobicContact CD1-CG2 4.23Å |
| 136 | D | 97.9 | Very high | 98.1 | Very high | 144 Ų | 144 | 66.1 Ų | 66.1 | 77% | 0.77 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 51.3 | -179.9 | -62.8 | -51.1 | 0 | 0 | 0 | 114.1 | A132 | A132-D136 PolarHBondContact O-N 3.38Å; A132-D136 VanDerWaalsContact O-N 3.17Å |
| 137 | L | 97 | Very high | 98.1 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | trans | -130 | 168.2 | 176.6 | -66.7 | 177.8 | 0 | 0 | 0 | 111.1 | T103 F105 A132 I135 R141 V142 | T103-L137 HydrophobicContact CG2-CD2 4.06Å; F105-L137 HydrophobicContact CD1-CD1 3.65Å; F105-L137 HydrophobicContact CE1-CD1 3.54Å; A132-L137 CarbonylContact C-O 3.47Å; A132-L137 WeakPolarHBondContact CB-O 3.37Å; A132-L137 PolarHBondContact O-N 3.31Å; A132-L137 VanDerWaalsContact O-O 3.09Å; I135-L137 HydrophobicContact CD1-CD1 3.74Å; I135-L137 HydrophobicContact CD1-CG 4.46Å; I135-L137 HydrophobicContact CG1-CB 4.14Å; I135-L137 HydrophobicContact CG1-CD1 3.77Å; I135-L137 HydrophobicContact CG1-CG 3.95Å; L137-R141 HydrophobicContact CB-CB 4.41Å; L137-V142 HydrophobicContact CB-CG2 4.5Å | ||
| 138 | T | 98 | Very high | 98.1 | Very high | 86 Ų | 86 | 64.7 Ų | 64.7 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | trans | -84.1 | 148.1 | 169.2 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | A140 R141 V142 | T138-A140 PolarHBondContact O-N 2.96Å; T138-A140 VanDerWaalsContact O-N 3.15Å; T138-R141 WeakPolarHBondContact O-CA 3.43Å; T138-R141 WeakPolarHBondContact O-CB 3.22Å; T138-R141 PolarHBondContact O-N 3.24Å; T138-R141 WeakPolarHBondContact OG1-CG 3.15Å; T138-V142 PolarHBondContact O-N 3.24Å | ||
| 139 | E | 98.2 | Very high | 98.1 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -49.8 | -42.3 | 176.1 | -176 | -79.9 | 161.4 | 0 | 0 | 111.2 | I125 R128 E129 A132 R141 V142 Q143 | I125-E139 HydrophobicContact CD1-CG 3.99Å; I125-E139 WeakPolarHBondContact CD1-OE1 3.39Å; R128-E139 HydrophobicContact CB-CG 4.05Å; R128-E139 IonicContact CZ-OE1 2.73Å; R128-E139 VanDerWaalsContact CZ-OE1 3.3Å; R128-E139 IonicContact NE-OE1 2.98Å; R128-E139 PolarHBondContact NE-OE1 3.16Å; R128-E139 IonicContact NH2-OE1 3.48Å; R128-E139 PolarHBondContact NH2-OE1 3.41Å; E129-E139 HydrophobicContact CG-CB 4.48Å; E129-E139 HydrophobicContact CG-CG 4.08Å; A132-E139 HydrophobicContact CB-CB 4.46Å; E139-R141 VanDerWaalsContact C-N 3.27Å; E139-R141 PolarHBondContact O-N 3.43Å; E139-V142 CarbonylContact O-C 3.58Å; E139-V142 WeakPolarHBondContact O-CA 3.39Å; E139-V142 WeakPolarHBondContact O-CB 3.39Å; E139-V142 PolarHBondContact O-N 3.02Å; E139-Q143 PolarHBondContact O-N 3.44Å |
| 140 | A | 97.8 | Very high | 98.1 | Very high | 39 Ų | 39 | 63.9 Ų | 63.9 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60 | -33.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T138 V144 | T138-A140 PolarHBondContact O-N 2.96Å; T138-A140 VanDerWaalsContact O-N 3.15Å; A140-V144 VanDerWaalsContact O-CG2 3.25Å; A140-V144 WeakPolarHBondContact O-CG2 3.38Å; A140-V144 PolarHBondContact O-N 3.41Å; A140-V144 VanDerWaalsContact O-N 3.1Å |
| 141 | R | 97.9 | Very high | 98.1 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 174 | -64.2 | -57.3 | 91.6 | 162.3 | 4.8 | 111 | T103 L137 T138 E139 V144 W145 | T103-R141 VanDerWaalsContact OG1-CD 3.24Å; T103-R141 WeakPolarHBondContact OG1-CD 3.14Å; L137-R141 HydrophobicContact CB-CB 4.41Å; T138-R141 WeakPolarHBondContact O-CA 3.43Å; T138-R141 WeakPolarHBondContact O-CB 3.22Å; T138-R141 PolarHBondContact O-N 3.24Å; T138-R141 WeakPolarHBondContact OG1-CG 3.15Å; E139-R141 VanDerWaalsContact C-N 3.27Å; E139-R141 PolarHBondContact O-N 3.43Å; R141-V144 PolarHBondContact O-N 3.38Å; R141-W145 WeakPolarHBondContact O-CB 3.46Å; R141-W145 PolarHBondContact O-N 3.24Å |
| 142 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | L113 R128 L131 A132 I135 L137 T138 E139 V144 W145 F146 | L113-V142 HydrophobicContact CD2-CG1 3.97Å; L113-V142 HydrophobicContact CD2-CG2 4.47Å; R128-V142 HydrophobicContact CB-CG1 4.26Å; R128-V142 HydrophobicContact CG-CG1 4.24Å; L131-V142 HydrophobicContact CB-CG1 4.49Å; L131-V142 HydrophobicContact CD1-CG1 4.43Å; A132-V142 HydrophobicContact CB-CG2 4Å; I135-V142 HydrophobicContact CD1-CG2 4.23Å; L137-V142 HydrophobicContact CB-CG2 4.5Å; T138-V142 PolarHBondContact O-N 3.24Å; E139-V142 CarbonylContact O-C 3.58Å; E139-V142 WeakPolarHBondContact O-CA 3.39Å; E139-V142 WeakPolarHBondContact O-CB 3.39Å; E139-V142 PolarHBondContact O-N 3.02Å; V142-V144 PolarHBondContact O-N 3.01Å; V142-W145 WeakPolarHBondContact O-CB 3.5Å; V142-W145 PolarHBondContact O-N 3.29Å; V142-W145 VanDerWaalsContact O-N 3.12Å; V142-F146 HydrophobicContact CG1-CD2 3.76Å; V142-F146 HydrophobicContact CG1-CE2 3.77Å; V142-F146 WeakPolarHBondContact O-CD2 3.24Å; V142-F146 PolarHBondContact O-N 2.97Å |
| 143 | Q | 98.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 67.4 Ų | 67.4 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55 | -50 | 176.8 | -169.7 | -164.6 | -2.1 | 0 | 0 | 112 | E139 W145 F146 Q147 | E139-Q143 PolarHBondContact O-N 3.44Å; Q143-W145 VanDerWaalsContact C-N 3.32Å; Q143-W145 PolarHBondContact O-N 3.34Å; Q143-F146 PolarHBondContact O-N 3.1Å; Q143-Q147 WeakPolarHBondContact O-CG 3.36Å; Q143-Q147 PolarHBondContact O-N 3.43Å |
| 144 | V | 98.2 | Very high | 97.8 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 37% | 0.37 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 178.3 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | A140 R141 V142 Q147 N148 | A140-V144 VanDerWaalsContact O-CG2 3.25Å; A140-V144 WeakPolarHBondContact O-CG2 3.38Å; A140-V144 PolarHBondContact O-N 3.41Å; A140-V144 VanDerWaalsContact O-N 3.1Å; R141-V144 PolarHBondContact O-N 3.38Å; V142-V144 PolarHBondContact O-N 3.01Å; V144-Q147 PolarHBondContact O-N 3.04Å; V144-N148 PolarHBondContact O-N 3.48Å; V144-N148 PolarHBondContact O-ND2 3.41Å |
| 145 | W | 98.2 | Very high | 97.7 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 175.7 | -172.4 | 100.5 | 0 | 0 | 0 | 111.5 | F105 L110 L113 E114 F117 R141 V142 Q143 Q147 N148 R149 | F105-W145 AromaticContact CD2-CD1 3.92Å; F105-W145 AromaticContact CE2-CD1 3.61Å; F105-W145 HydrophobicContact CZ-CB 4.23Å; F105-W145 AromaticContact CZ-CD1 3.81Å; F105-W145 HydrophobicContact CZ-CG 4.41Å; L110-W145 HydrophobicContact CD2-CZ2 4.33Å; L110-W145 VanDerWaalsContact CD2-NE1 3.32Å; L113-W145 HydrophobicContact CB-CD2 4.1Å; L113-W145 HydrophobicContact CB-CE3 3.98Å; L113-W145 HydrophobicContact CB-CH2 3.68Å; L113-W145 HydrophobicContact CB-CZ2 3.78Å; L113-W145 HydrophobicContact CB-CZ3 3.78Å; L113-W145 HydrophobicContact CD1-CD2 3.86Å; L113-W145 HydrophobicContact CD1-CE3 4.43Å; L113-W145 HydrophobicContact CD1-CG 3.9Å; L113-W145 HydrophobicContact CD1-CZ2 4.47Å; L113-W145 HydrophobicContact CD2-CD2 4.41Å; L113-W145 HydrophobicContact CD2-CE3 4.22Å; L113-W145 HydrophobicContact CG-CD2 4.36Å; L113-W145 HydrophobicContact CG-CE3 4.45Å; E114-W145 HydrophobicContact CG-CH2 3.84Å; E114-W145 HydrophobicContact CG-CZ2 3.98Å; F117-W145 HydrophobicContact CB-CZ3 4.37Å; F117-W145 HydrophobicContact CD2-CZ3 4.47Å; R141-W145 WeakPolarHBondContact O-CB 3.46Å; R141-W145 PolarHBondContact O-N 3.24Å; V142-W145 WeakPolarHBondContact O-CB 3.5Å; V142-W145 PolarHBondContact O-N 3.29Å; V142-W145 VanDerWaalsContact O-N 3.12Å; Q143-W145 VanDerWaalsContact C-N 3.32Å; Q143-W145 PolarHBondContact O-N 3.34Å; W145-Q147 VanDerWaalsContact C-N 3.34Å; W145-Q147 PolarHBondContact O-N 2.96Å; W145-N148 PolarHBondContact O-N 2.94Å; W145-R149 HydrophobicContact CE3-CB 4.06Å; W145-R149 HydrophobicContact CH2-CB 4.14Å; W145-R149 HydrophobicContact CH2-CG 3.84Å; W145-R149 HydrophobicContact CZ3-CB 3.83Å; W145-R149 HydrophobicContact CZ3-CG 3.88Å; W145-R149 WeakPolarHBondContact O-CB 3.32Å; W145-R149 PolarHBondContact O-N 3.35Å |
| 146 | F | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 178.5 | -89 | -90.5 | 0 | 0 | 0 | 112.5 | L113 V116 F117 P123 L131 V142 Q143 R149 R150 | L113-F146 HydrophobicContact CD2-CD2 4.48Å; L113-F146 HydrophobicContact CD2-CE2 3.86Å; V116-F146 HydrophobicContact CB-CZ 4.26Å; V116-F146 HydrophobicContact CG1-CZ 4.08Å; F117-F146 HydrophobicContact CB-CE1 4.03Å; F117-F146 AromaticContact CD2-CD1 3.79Å; F117-F146 HydrophobicContact CD2-CD1 3.79Å; F117-F146 AromaticContact CD2-CE1 3.78Å; F117-F146 HydrophobicContact CD2-CE1 3.78Å; F117-F146 HydrophobicContact CE2-CD1 4.49Å; F117-F146 HydrophobicContact CG-CE1 4.41Å; P123-F146 HydrophobicContact CG-CD1 3.65Å; P123-F146 HydrophobicContact CG-CD2 4.09Å; P123-F146 HydrophobicContact CG-CE1 3.56Å; P123-F146 HydrophobicContact CG-CE2 4.02Å; P123-F146 HydrophobicContact CG-CG 3.93Å; P123-F146 HydrophobicContact CG-CZ 3.78Å; L131-F146 HydrophobicContact CD1-CE2 4.15Å; L131-F146 HydrophobicContact CD1-CZ 4.33Å; V142-F146 HydrophobicContact CG1-CD2 3.76Å; V142-F146 HydrophobicContact CG1-CE2 3.77Å; V142-F146 WeakPolarHBondContact O-CD2 3.24Å; V142-F146 PolarHBondContact O-N 2.97Å; Q143-F146 PolarHBondContact O-N 3.1Å; F146-R149 PolarHBondContact O-N 2.95Å; F146-R150 WeakPolarHBondContact O-CB 3.07Å; F146-R150 WeakPolarHBondContact O-CG 3.48Å; F146-R150 PolarHBondContact O-N 3.25Å |
| 147 | Q | 98.5 | Very high | 97 | Very high | 90 Ų | 90 | 71 Ų | 71 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 173.2 | -71.6 | 176.6 | 28.6 | 0 | 0 | 111.8 | Q143 V144 W145 R149 R150 A151 | Q143-Q147 WeakPolarHBondContact O-CG 3.36Å; Q143-Q147 PolarHBondContact O-N 3.43Å; V144-Q147 PolarHBondContact O-N 3.04Å; W145-Q147 VanDerWaalsContact C-N 3.34Å; W145-Q147 PolarHBondContact O-N 2.96Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.17Å; Q147-R150 PolarHBondContact O-N 3.29Å; Q147-A151 WeakPolarHBondContact O-CB 3.47Å; Q147-A151 PolarHBondContact O-N 3.01Å |
| 148 | N | 98.2 | Very high | 96.6 | Very high | 104 Ų | 104 | 77.4 Ų | 77.4 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 178.2 | -72.6 | -29.7 | 0 | 0 | 0 | 111.8 | V144 W145 A151 K152 | V144-N148 PolarHBondContact O-N 3.48Å; V144-N148 PolarHBondContact O-ND2 3.41Å; W145-N148 PolarHBondContact O-N 2.94Å; N148-A151 PolarHBondContact O-N 3.49Å; N148-K152 PolarHBondContact O-N 3.09Å |
| 149 | R | 98.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 76.2 Ų | 76.2 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 177.9 | -174.2 | 67 | -167 | -164.7 | -0.9 | 111.4 | E114 F117 W145 F146 Q147 A151 K152 F153 | E114-R149 IonicContact OE1-CZ 3.62Å; E114-R149 IonicContact OE1-NH1 2.93Å; E114-R149 PolarHBondContact OE1-NH1 3.48Å; E114-R149 IonicContact OE1-NH2 3.89Å; F117-R149 HydrophobicContact CD1-CG 4.1Å; F117-R149 HydrophobicContact CD2-CB 4.28Å; F117-R149 HydrophobicContact CD2-CG 3.62Å; F117-R149 HydrophobicContact CE1-CG 3.95Å; F117-R149 HydrophobicContact CE2-CB 4.04Å; F117-R149 HydrophobicContact CE2-CG 3.47Å; F117-R149 VanDerWaalsContact CE2-CG 3.47Å; F117-R149 HydrophobicContact CG-CG 3.94Å; F117-R149 HydrophobicContact CZ-CG 3.65Å; W145-R149 HydrophobicContact CE3-CB 4.06Å; W145-R149 HydrophobicContact CH2-CB 4.14Å; W145-R149 HydrophobicContact CH2-CG 3.84Å; W145-R149 HydrophobicContact CZ3-CB 3.83Å; W145-R149 HydrophobicContact CZ3-CG 3.88Å; W145-R149 WeakPolarHBondContact O-CB 3.32Å; W145-R149 PolarHBondContact O-N 3.35Å; F146-R149 PolarHBondContact O-N 2.95Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.17Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 3.1Å; R149-K152 PolarHBondContact O-N 2.99Å; R149-F153 PolarHBondContact O-N 3.11Å |
| 150 | R | 98.1 | Very high | 95.4 | Very high | 47 Ų | 47 | 77 Ų | 77 | 18% | 0.177 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 174.4 | -72.2 | -166.5 | -62.7 | -93.5 | 3.2 | 112.9 | F117 H121 Y122 F146 Q147 F153 R154 | F117-R150 HydrophobicContact CE2-CG 3.87Å; F117-R150 HydrophobicContact CZ-CG 4.39Å; H121-R150 HydrophobicContact CB-CG 4.41Å; H121-R150 VanDerWaalsContact O-CD 3.3Å; H121-R150 WeakPolarHBondContact O-CD 3.44Å; H121-R150 PolarHBondContact O-NH1 3.15Å; Y122-R150 VanDerWaalsContact CE1-CD 3.49Å; F146-R150 WeakPolarHBondContact O-CB 3.07Å; F146-R150 WeakPolarHBondContact O-CG 3.48Å; F146-R150 PolarHBondContact O-N 3.25Å; Q147-R150 PolarHBondContact O-N 3.29Å; R150-F153 PolarHBondContact O-N 3Å; R150-R154 WeakPolarHBondContact O-CG 3.49Å; R150-R154 PolarHBondContact O-N 3.26Å |
| 151 | A | 97.9 | Very high | 94.7 | Very high | 44 Ų | 44 | 78.1 Ų | 78.1 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q147 N148 R149 K155 | Q147-A151 WeakPolarHBondContact O-CB 3.47Å; Q147-A151 PolarHBondContact O-N 3.01Å; N148-A151 PolarHBondContact O-N 3.49Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 3.1Å; A151-K155 WeakPolarHBondContact O-CB 3.45Å; A151-K155 PolarHBondContact O-N 3.49Å; A151-K155 VanDerWaalsContact O-N 3.09Å |
| 152 | K | 97.2 | Very high | 94 | Very high | 115 Ų | 115 | 76.9 Ų | 76.9 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.3 | -171.3 | -179.9 | 178.2 | -175.1 | 0 | 111.6 | N148 R149 K155 Q156 | N148-K152 PolarHBondContact O-N 3.09Å; R149-K152 PolarHBondContact O-N 2.99Å; K152-K155 WeakPolarHBondContact O-CB 3.46Å; K152-K155 PolarHBondContact O-N 3Å; K152-K155 VanDerWaalsContact O-N 3.1Å; K152-Q156 WeakPolarHBondContact O-CG 3.32Å; K152-Q156 PolarHBondContact O-N 2.94Å |
| 153 | F | 96.3 | Very high | 93 | Very high | 65 Ų | 65 | 79.8 Ų | 79.8 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.8 | -52.9 | 177.6 | -175.6 | -96.1 | 0 | 0 | 0 | 111.7 | F117 H121 R149 R150 K155 Q156 E157 | F117-F153 HydrophobicContact CZ-CB 4.42Å; H121-F153 AromaticContact CE1-CZ 3.94Å; R149-F153 PolarHBondContact O-N 3.11Å; R150-F153 PolarHBondContact O-N 3Å; F153-K155 PolarHBondContact O-N 3.16Å; F153-K155 VanDerWaalsContact O-N 3.17Å; F153-Q156 WeakPolarHBondContact O-CB 3.44Å; F153-Q156 PolarHBondContact O-N 3.42Å; F153-E157 HydrophobicContact CE1-CG 4.2Å; F153-E157 WeakPolarHBondContact CE1-OE1 3.5Å; F153-E157 HydrophobicContact CZ-CG 4.44Å; F153-E157 WeakPolarHBondContact CZ-OE1 3.47Å; F153-E157 PolarHBondContact O-N 3Å; F153-E157 VanDerWaalsContact O-N 3.1Å |
| 154 | R | 96.6 | Very high | 92 | Very high | 136 Ų | 136 | 78.8 Ų | 78.8 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -24.6 | 175.8 | -69.5 | -172.1 | -65.8 | 155.8 | -3.7 | 114 | R150 R158 | R150-R154 WeakPolarHBondContact O-CG 3.49Å; R150-R154 PolarHBondContact O-N 3.26Å; R154-R158 WeakPolarHBondContact O-CG 3.49Å; R154-R158 PolarHBondContact O-N 3.02Å; R154-R158 PolarHBondContact O-NE 3.49Å |
| 155 | K | 95.3 | Very high | 90.8 | Very high | 153 Ų | 153 | 78.8 Ų | 78.8 | 67% | 0.665 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -75.4 | -39.4 | 174.4 | -173.6 | 177.4 | 179 | -180 | 0 | 110.9 | A151 K152 F153 R158 A159 | A151-K155 WeakPolarHBondContact O-CB 3.45Å; A151-K155 PolarHBondContact O-N 3.49Å; A151-K155 VanDerWaalsContact O-N 3.09Å; K152-K155 WeakPolarHBondContact O-CB 3.46Å; K152-K155 PolarHBondContact O-N 3Å; K152-K155 VanDerWaalsContact O-N 3.1Å; F153-K155 PolarHBondContact O-N 3.16Å; F153-K155 VanDerWaalsContact O-N 3.17Å; K155-R158 PolarHBondContact O-N 3.29Å; K155-A159 WeakPolarHBondContact O-CB 3.45Å; K155-A159 PolarHBondContact O-N 3.12Å |
| 156 | Q | 92.2 | Very high | 89.4 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 49% | 0.486 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 178.2 | -73 | 174.2 | -21.8 | 0 | 0 | 111.7 | K152 F153 R158 A159 A160 | K152-Q156 WeakPolarHBondContact O-CG 3.32Å; K152-Q156 PolarHBondContact O-N 2.94Å; F153-Q156 WeakPolarHBondContact O-CB 3.44Å; F153-Q156 PolarHBondContact O-N 3.42Å; Q156-R158 PolarHBondContact O-N 3.39Å; Q156-A159 PolarHBondContact O-N 2.97Å; Q156-A160 PolarHBondContact O-N 3.49Å |
| 157 | E | 88.6 | Confident | 87.7 | Confident | 107 Ų | 107 | 83 Ų | 83 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.6 | -68.4 | -179.5 | 144.3 | 0 | 0 | 112.3 | F153 A160 A161 | F153-E157 HydrophobicContact CE1-CG 4.2Å; F153-E157 WeakPolarHBondContact CE1-OE1 3.5Å; F153-E157 HydrophobicContact CZ-CG 4.44Å; F153-E157 WeakPolarHBondContact CZ-OE1 3.47Å; F153-E157 PolarHBondContact O-N 3Å; F153-E157 VanDerWaalsContact O-N 3.1Å; E157-A160 PolarHBondContact O-N 3.38Å; E157-A161 WeakPolarHBondContact O-CB 3.44Å; E157-A161 PolarHBondContact O-N 2.95Å |
| 158 | R | 88.3 | Confident | 85.8 | Confident | 167 Ų | 167 | 87 Ų | 87 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -37.9 | 176.9 | -77 | -175.4 | -78.4 | -175.7 | -2.3 | 113 | R154 K155 Q156 A161 A162 | R154-R158 WeakPolarHBondContact O-CG 3.49Å; R154-R158 PolarHBondContact O-N 3.02Å; R154-R158 PolarHBondContact O-NE 3.49Å; K155-R158 PolarHBondContact O-N 3.29Å; Q156-R158 PolarHBondContact O-N 3.39Å; R158-A161 PolarHBondContact O-N 2.98Å; R158-A162 WeakPolarHBondContact O-CB 3.33Å; R158-A162 PolarHBondContact O-N 3.35Å |
| 159 | A | 86.7 | Confident | 83.6 | Confident | 61 Ų | 61 | 86.9 Ų | 86.9 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K155 Q156 A162 A163 | K155-A159 WeakPolarHBondContact O-CB 3.45Å; K155-A159 PolarHBondContact O-N 3.12Å; Q156-A159 PolarHBondContact O-N 2.97Å; A159-A162 PolarHBondContact O-N 3.48Å; A159-A163 WeakPolarHBondContact O-CB 3.15Å; A159-A163 PolarHBondContact O-N 2.81Å |
| 160 | A | 84.4 | Confident | 81.4 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q156 E157 A163 A164 | Q156-A160 PolarHBondContact O-N 3.49Å; E157-A160 PolarHBondContact O-N 3.38Å; A160-A163 PolarHBondContact O-N 3.12Å; A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.38Å |
| 161 | A | 82.6 | Confident | 79.1 | Confident | 63 Ų | 63 | 90.7 Ų | 90.7 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E157 R158 A164 A165 | E157-A161 WeakPolarHBondContact O-CB 3.44Å; E157-A161 PolarHBondContact O-N 2.95Å; R158-A161 PolarHBondContact O-N 2.98Å; A161-A164 PolarHBondContact O-N 3.39Å; A161-A165 WeakPolarHBondContact O-CB 3.42Å; A161-A165 PolarHBondContact O-N 3.27Å |
| 162 | A | 82.4 | Confident | 76.6 | Confident | 61 Ų | 61 | 91.9 Ų | 91.9 | 50% | 0.504 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.2 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R158 A159 A165 A166 | R158-A162 WeakPolarHBondContact O-CB 3.33Å; R158-A162 PolarHBondContact O-N 3.35Å; A159-A162 PolarHBondContact O-N 3.48Å; A162-A165 PolarHBondContact O-N 3.47Å; A162-A166 PolarHBondContact O-N 3.33Å |
| 163 | A | 79.1 | Confident | 74.1 | Confident | 62 Ų | 62 | 96 Ų | 96 | 51% | 0.512 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.8 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A159 A160 A166 A167 | A159-A163 WeakPolarHBondContact O-CB 3.15Å; A159-A163 PolarHBondContact O-N 2.81Å; A160-A163 PolarHBondContact O-N 3.12Å; A163-A166 PolarHBondContact O-N 3.11Å; A163-A167 PolarHBondContact O-N 3.29Å; A163-A167 VanDerWaalsContact O-N 3.12Å |
| 164 | A | 75.4 | Confident | 71.7 | Confident | 56 Ų | 56 | 103.2 Ų | 103.2 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.5 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A160 A161 K168 | A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.38Å; A161-A164 PolarHBondContact O-N 3.39Å; A164-K168 PolarHBondContact O-N 3.24Å |
| 165 | A | 74.4 | Confident | 69.1 | Low | 62 Ų | 62 | 101.7 Ų | 101.7 | 51% | 0.512 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.1 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A161 A162 A167 K168 S169 | A161-A165 WeakPolarHBondContact O-CB 3.42Å; A161-A165 PolarHBondContact O-N 3.27Å; A162-A165 PolarHBondContact O-N 3.47Å; A165-A167 PolarHBondContact O-N 3.41Å; A165-K168 PolarHBondContact O-N 2.75Å; A165-S169 PolarHBondContact O-N 3.15Å |
| 166 | A | 68.8 | Low | 66.8 | Low | 55 Ų | 55 | 100.9 Ų | 100.9 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.1 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A162 A163 K168 S169 | A162-A166 PolarHBondContact O-N 3.33Å; A163-A166 PolarHBondContact O-N 3.11Å; A166-K168 VanDerWaalsContact C-N 3.28Å; A166-K168 PolarHBondContact O-N 3.49Å; A166-S169 PolarHBondContact O-N 3.22Å; A166-S169 VanDerWaalsContact O-N 3.15Å; A166-S169 PolarHBondContact O-OG 3.07Å |
| 167 | A | 62.3 | Low | 64.5 | Low | 60 Ų | 60 | 101.6 Ų | 101.6 | 50% | 0.496 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.7 | -25.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | A163 A165 S170 | A163-A167 PolarHBondContact O-N 3.29Å; A163-A167 VanDerWaalsContact O-N 3.12Å; A165-A167 PolarHBondContact O-N 3.41Å; A167-S170 PolarHBondContact O-OG 3.47Å |
| 168 | K | 58.5 | Low | 62.6 | Low | 174 Ų | 174 | 106.2 Ų | 106.2 | 76% | 0.757 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.2 | -17.3 | 174.8 | -69.3 | -177.2 | 179.4 | -179 | 0 | 113.5 | A164 A165 A166 | A164-K168 PolarHBondContact O-N 3.24Å; A165-K168 PolarHBondContact O-N 2.75Å; A166-K168 VanDerWaalsContact C-N 3.28Å; A166-K168 PolarHBondContact O-N 3.49Å |
| 169 | S | 52.7 | Low | 60.7 | Low | 101 Ų | 101 | 104.7 Ų | 104.7 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -85.1 | -13.6 | 176.4 | 70.9 | 0 | 0 | 0 | 0 | 113.9 | A165 A166 | A165-S169 PolarHBondContact O-N 3.15Å; A166-S169 PolarHBondContact O-N 3.22Å; A166-S169 VanDerWaalsContact O-N 3.15Å; A166-S169 PolarHBondContact O-OG 3.07Å |
| 170 | S | 52.6 | Low | 58.8 | Low | 97 Ų | 97 | 109.5 Ų | 109.5 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -98.9 | -6.4 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 114.8 | A167 | A167-S170 PolarHBondContact O-OG 3.47Š|
| 171 | S | 48.4 | Very low | 56.7 | Low | 100 Ų | 100 | 112.8 Ų | 112.8 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -93.3 | 11.2 | 179.3 | 61.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 172 | G | 46.4 | Very low | 55.3 | Low | 69 Ų | 69 | 114.2 Ų | 114.2 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -112.5 | 17.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 173 | K | 44.8 | Very low | 53.5 | Low | 202 Ų | 202 | 119.7 Ų | 119.7 | 88% | 0.878 | 69% | 0.688 | S | S | * | * | trans | -133.5 | 77.8 | 172.8 | -92.4 | 170.2 | 172.9 | 173.3 | 0 | 110.8 | ||||
| 174 | K | 45.3 | Very low | 51.9 | Low | 215 Ų | 215 | 122.7 Ų | 122.7 | 94% | 0.935 | 70% | 0.696 | S | S | * | * | trans | -122.8 | 79.1 | 160.5 | -154.2 | 177.1 | -172.3 | -179.1 | 0 | 107.2 | ||||
| 175 | S | 41.7 | Very low | 50.5 | Low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -109.9 | 97.6 | 161.4 | 54.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 176 | D | 46.7 | Very low | 49.3 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | 81.2 | 107.4 | 101.2 | -161.7 | -98.9 | 0 | 0 | 0 | 111.2 | |||||
| 177 | S | 44.2 | Very low | 48 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | -160.8 | 93.7 | 162.9 | 177.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 178 | R | 50 | Low | 46.9 | Very low | 204 Ų | 204 | 138.8 Ų | 138.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -73.5 | 148 | 153.5 | -52.5 | 179.4 | 179.9 | 175.8 | -1.9 | 106.8 | ||||
| 179 | D | 47.3 | Very low | 46.2 | Very low | 134 Ų | 134 | 138 Ų | 138 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | -173.8 | 153 | 58.7 | -116.4 | -84 | 0 | 0 | 0 | 109.5 | |||||
| 180 | E | 46.2 | Very low | 46.7 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 47.3 | 149.8 | 139.8 | -69 | -80.5 | 110 | 0 | 0 | 121.1 | ||||
| 181 | D | 41.5 | Very low | 45.9 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -171.6 | 167.9 | 2.8 | 164.2 | -112.6 | 0 | 0 | 0 | 105.7 | ||||
| 182 | S | 51.8 | Low | 45.7 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | 113.9 | 90.5 | 155.3 | -134.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 183 | K | 45.6 | Very low | 45.8 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | 55.6 | 113 | 121 | -145.2 | -174.8 | -179.4 | 174.7 | 0 | 118.1 | |||||
| 184 | D | 44.7 | Very low | 45.6 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | -176 | 159 | 90.7 | -129.1 | -64.2 | 0 | 0 | 0 | 112.6 | |||||
| 185 | T | 46.3 | Very low | 45.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | trans | -72.9 | 140.4 | -171.6 | 52 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 186 | K | 49.4 | Very low | 45.9 | Very low | 202 Ų | 202 | 133.2 Ų | 133.2 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | -170.7 | 139 | 126.2 | -149.8 | 170 | -179.7 | -161.6 | 0 | 113 | |||||
| 187 | T | 42.3 | Very low | 45.4 | Very low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | -77.5 | 168.2 | -171.2 | 47.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 188 | T | 38.5 | Very low | 45.8 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | 88.8 | 105.4 | 150 | 67.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 189 | D | 44.3 | Very low | 45.9 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -67 | -179.6 | 140.4 | -49 | -77.3 | 0 | 0 | 0 | 110.4 | ||||
| 190 | P | 61.8 | Low | 46.4 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | cis | -136.5 | -176.4 | -9.5 | 35.4 | -13.9 | 0 | 0 | 0 | 114.3 | ||||
| 191 | D | 37.6 | Very low | 46.8 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | 58.2 | 121.4 | 144.3 | -162.9 | 36.2 | 0 | 0 | 0 | 121.8 | ||||
| 192 | S | 43.3 | Very low | 47.4 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | 174.1 | 116.9 | 128.1 | -83.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 193 | T | 48.4 | Very low | 46.8 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | 26.3 | 119.9 | 126.3 | -52.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 194 | G | 40.7 | Very low | 46.7 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | -176.2 | 70.2 | 168 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 195 | G | 36.5 | Very low | 46.4 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 78.8 | 149.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 196 | P | 56.7 | Low | 45.9 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -93.9 | 152.7 | -169.7 | 37.7 | -32.7 | 0 | 0 | 0 | 113.4 | ||||
| 197 | G | 36.6 | Very low | 45.2 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -160.2 | 151.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 198 | P | 52.6 | Low | 45 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -99.9 | 165.2 | -140.2 | 37.1 | -34 | 0 | 0 | 0 | 115.8 | ||||
| 199 | N | 52.3 | Low | 45.8 | Very low | 154 Ų | 154 | 116.5 Ų | 116.5 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -37.4 | 144.4 | 163.6 | -110.7 | -15.7 | 0 | 0 | 0 | 114.3 | ||||
| 200 | P | 56.7 | Low | 45.7 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -119.7 | 125.2 | 142.3 | 31.3 | -18.9 | 0 | 0 | 0 | 111.7 | ||||
| 201 | V | 54.8 | Low | 45.5 | Very low | 115 Ų | 115 | 114 Ų | 114 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | -67.3 | 152.2 | 160.5 | -162.6 | 0 | 0 | 0 | 0 | 108.8 | T203 | V201-T203 HydrophobicContact CG1-CG2 4.04Š| ||
| 202 | P | 54.7 | Low | 45.7 | Very low | 128 Ų | 128 | 113.6 Ų | 113.6 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -114.1 | 113.4 | 147.6 | 31.8 | -20.9 | 0 | 0 | 0 | 110 | ||||
| 203 | T | 39.9 | Very low | 45.4 | Very low | 115 Ų | 115 | 113.4 Ų | 113.4 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -93.1 | 136.6 | 162.8 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | V201 | V201-T203 HydrophobicContact CG1-CG2 4.04Š| ||
| 204 | S | 43.1 | Very low | 44.7 | Very low | 104 Ų | 104 | 110.7 Ų | 110.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 85.3 | 121.6 | 139.7 | -57.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 205 | N | 37.8 | Very low | 44.5 | Very low | 158 Ų | 158 | 115.7 Ų | 115.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | 86.4 | 109.4 | 126.4 | -85.8 | 36.1 | 0 | 0 | 0 | 121.9 | |||||
| 206 | C | 35.8 | Very low | 44.4 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | -157.1 | 127.3 | 121.8 | 52.5 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 207 | G | 35.7 | Very low | 43.5 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | 124.3 | 109.3 | 46.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 208 | G | 37.2 | Very low | 43.6 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -68.9 | -158 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 209 | P | 55.9 | Low | 42.7 | Very low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | cis | -135.8 | 168.7 | 20.1 | 38.5 | -18.8 | 0 | 0 | 0 | 116.7 | ||||
| 210 | S | 42 | Very low | 41.8 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | -76.9 | 165.5 | 161.7 | 179.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 211 | P | 56.6 | Low | 40.7 | Very low | 128 Ų | 128 | 121.7 Ų | 121.7 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -120.7 | 138.8 | 135.5 | 33.6 | -26.2 | 0 | 0 | 0 | 112.4 | ||||
| 212 | T | 41.6 | Very low | 39.6 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -100.4 | 146.1 | 173.7 | -71 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 213 | A | 37.2 | Very low | 38.5 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | 149 | 125.8 | 127.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 214 | G | 34.3 | Very low | 38.3 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -168.2 | 100.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 215 | Q | 36.4 | Very low | 37.9 | Very low | 183 Ų | 183 | 124.1 Ų | 124.1 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -61 | 150 | -170 | -67.2 | 167 | -23.3 | 0 | 0 | 115.1 | ||||
| 216 | V | 35.4 | Very low | 37.6 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -129.1 | 117.5 | 152.8 | 171 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 217 | N | 37.8 | Very low | 37.3 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -93.8 | 141.2 | 171.7 | -102.4 | 12.3 | 0 | 0 | 0 | 110.3 | ||||
| 218 | T | 36.9 | Very low | 37.1 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -90.7 | 137.2 | 167.4 | -46.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 219 | T | 35.4 | Very low | 36.9 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -165.9 | 140.2 | 149.9 | -66.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 220 | G | 33.4 | Very low | 35.9 | Very low | 64 Ų | 64 | 130.9 Ų | 130.9 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | -100.4 | -155 | -176 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 221 | N | 33.7 | Very low | 35.6 | Very low | 179 Ų | 179 | 133 Ų | 133 | 96% | 0.957 | 80% | 0.801 | S | S | * | * | trans | 75.1 | 137.2 | -170.1 | -76.7 | -22.8 | 0 | 0 | 0 | 114.6 | ||||
| 222 | G | 30.6 | Very low | 34.5 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | cis | 144.9 | 161.1 | 17.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 223 | Q | 30.9 | Very low | 34.2 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | 97.2 | 97.3 | 170.6 | -151.4 | 164 | 14.1 | 0 | 0 | 115.8 | ||||
| 224 | V | 36.9 | Very low | 34 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | 39 | 114.6 | 83 | -53.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 225 | D | 34 | Very low | 34.1 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | -174.1 | 143 | 118.9 | -97.7 | -43.6 | 0 | 0 | 0 | 113.1 | |||||
| 226 | Q | 32.3 | Very low | 33.9 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 171.6 | 176.4 | -61.2 | -178.3 | 23.1 | 0 | 0 | 111.7 | ||||
| 227 | V | 30.2 | Very low | 33.9 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | 169.7 | 126.7 | 115.1 | 155.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 228 | K | 31.1 | Very low | 33.8 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | trans | 62.6 | 116.8 | 147.4 | -73.5 | 176.9 | -179.3 | 177.4 | 0 | 121.2 | ||||
| 229 | T | 32.6 | Very low | 33.9 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | 72.9 | 118.3 | 67 | 63.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 230 | S | 34.8 | Very low | 34.6 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -177.9 | 109 | 135.9 | 41.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 231 | V | 34.9 | Very low | 34.7 | Very low | 138 Ų | 138 | 129 Ų | 129 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | 46.4 | 113.1 | 88.9 | 172.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 232 | S | 34.7 | Very low | 34.8 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | -167.4 | 156.6 | 124.6 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 233 | T | 35.1 | Very low | 34.9 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -107.8 | 160 | -159.2 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 234 | G | 33.3 | Very low | 35 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | 148.2 | 95.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 235 | M | 35.5 | Very low | 35 | Very low | 194 Ų | 194 | 132 Ų | 132 | 96% | 0.956 | 80% | 0.8 | S | S | * | * | 65 | 129.6 | 85.4 | -68.1 | -169 | 87.6 | 0 | 0 | 115.1 | |||||
| 236 | G | 31.6 | Very low | 35 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 132 | 76.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 237 | V | 35.7 | Very low | 35.3 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -4.4 | 134.5 | 139.3 | -68.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 238 | T | 37 | Very low | 36.3 | Very low | 144 Ų | 144 | 126 Ų | 126 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -161.5 | 122.2 | 130.7 | 43.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 239 | A | 37.5 | Very low | 36.6 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -82.1 | 176.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 240 | P | 50.1 | Low | 37.1 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | cis | -149.8 | 168.5 | 27.3 | 41.8 | -19.2 | 0 | 0 | 0 | 118.6 | ||||
| 241 | S | 35.4 | Very low | 37.4 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | 58.4 | 142.1 | 131.9 | 74.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 242 | Q | 36.8 | Very low | 37.7 | Very low | 192 Ų | 192 | 122.7 Ų | 122.7 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | 79 | 127.5 | 157.3 | -48.6 | -165.1 | -18.8 | 0 | 0 | 115.6 | ||||
| 243 | G | 32 | Very low | 38 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | 125.4 | 105.2 | 19.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 244 | W | 34.5 | Very low | 38.5 | Very low | 244 Ų | 244 | 123.3 Ų | 123.3 | 92% | 0.924 | 79% | 0.794 | S | S | * | * | trans | -169.7 | 130.9 | 152.9 | 59 | -60 | 0 | 0 | 0 | 110.1 | ||||
| 245 | A | 36.1 | Very low | 39.3 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -91 | 143.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 246 | A | 34.3 | Very low | 39.9 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -176.5 | 124.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 247 | A | 37.4 | Very low | 40.9 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -90 | -179.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 248 | P | 52.7 | Low | 41.5 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | cis | -123.3 | 167.5 | -17.2 | 35.6 | -18.9 | 0 | 0 | 0 | 111.8 | ||||
| 249 | G | 36.2 | Very low | 41.9 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -167.4 | 108.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I251 | G249-I251 PolarHBondContact O-N 3.2Š| ||
| 250 | T | 44.4 | Very low | 42.4 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -51.2 | 123.7 | 169.1 | -40.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 251 | I | 40.8 | Very low | 42.7 | Very low | 161 Ų | 161 | 123.6 Ų | 123.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -126.7 | 124.7 | 164.9 | -56.2 | -179.7 | 0 | 0 | 0 | 110 | G249 | G249-I251 PolarHBondContact O-N 3.2Š| ||
| 252 | T | 40.8 | Very low | 43.5 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -65.1 | 151.4 | -177.4 | -42.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 253 | S | 41.5 | Very low | 44.5 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 57.1 | 101.6 | 149.8 | 54.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 254 | I | 45.2 | Very low | 45.7 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -85.7 | 132.6 | 152.8 | -59.5 | 176.9 | 0 | 0 | 0 | 107.6 | D256 | I254-D256 PolarHBondContact O-N 3.35Š| ||
| 255 | P | 49.8 | Very low | 46.7 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -70.3 | 118.6 | 174.8 | 27.2 | -32.3 | 0 | 0 | 0 | 111.3 | ||||
| 256 | D | 48 | Very low | 47.4 | Very low | 156 Ų | 156 | 124 Ų | 124 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -77.6 | 113 | 166.5 | -168.3 | -80.8 | 0 | 0 | 0 | 108.8 | I254 | I254-D256 PolarHBondContact O-N 3.35Š| ||
| 257 | S | 52 | Low | 48 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -178.5 | 86.6 | 156.8 | -86.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 258 | L | 49 | Very low | 48.3 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | trans | -144.4 | 78.8 | 141.3 | -76.6 | -175 | 0 | 0 | 0 | 107.7 | G260 | L258-G260 PolarHBondContact O-N 2.99Š| ||
| 259 | G | 44.7 | Very low | 47.8 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -67.8 | 110.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 260 | G | 47.9 | Very low | 48.5 | Very low | 43 Ų | 43 | 134 Ų | 134 | 44% | 0.443 | 81% | 0.809 | S | S | . | * | trans | -111.9 | 151.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L258 F262 A263 | L258-G260 PolarHBondContact O-N 2.99Å; G260-F262 PolarHBondContact O-N 3.43Å; G260-A263 PolarHBondContact O-N 3.11Å | ||
| 261 | P | 57.1 | Low | 48.3 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 24.2 | -166.6 | 29.4 | -36.1 | 0 | 0 | 0 | 116.2 | ||
| 262 | F | 52.4 | Low | 48.3 | Very low | 200 Ų | 200 | 137.6 Ų | 137.6 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 6.2 | 179.5 | -67.8 | -75.3 | 0 | 0 | 0 | 114.9 | G260 S264 | G260-F262 PolarHBondContact O-N 3.43Å; F262-S264 PolarHBondContact O-N 3.22Å |
| 263 | A | 58 | Low | 48.3 | Very low | 83 Ų | 83 | 138.7 Ų | 138.7 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | trans | -94.3 | 67 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G260 | G260-A263 PolarHBondContact O-N 3.11Š| ||
| 264 | S | 56.3 | Low | 48.2 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -164.2 | 65.4 | 168.2 | -79.8 | 0 | 0 | 0 | 0 | 112.4 | F262 | F262-S264 PolarHBondContact O-N 3.22Š| ||
| 265 | V | 55.6 | Low | 48.2 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -154.3 | 67.8 | 154.7 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 266 | L | 51.8 | Low | 48 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | -160.3 | 76.8 | 155.7 | -82.2 | -168.7 | 0 | 0 | 0 | 109.8 | ||||
| 267 | S | 46.6 | Very low | 47.7 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -163.7 | 93.5 | 152.9 | -158.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 268 | S | 43.1 | Very low | 47.5 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | 178.4 | 86.6 | 146.3 | -167 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 269 | L | 42.8 | Very low | 47.4 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -166.1 | 64.2 | 136.2 | -133.4 | 68.4 | 0 | 0 | 0 | 109.8 | R271 | L269-R271 PolarHBondContact O-N 3.2Š| ||
| 270 | Q | 49.9 | Very low | 47.4 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -76.9 | 110.1 | 161.7 | -176.7 | 73.1 | 8.2 | 0 | 0 | 107.7 | Q272 | Q270-Q272 PolarHBondContact O-N 3.46Š| ||
| 271 | R | 40.2 | Very low | 47.4 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | trans | -39.5 | 119.7 | 169.3 | -177 | -177.7 | -95.3 | -94.9 | 5.6 | 112.5 | L269 N273 | L269-R271 PolarHBondContact O-N 3.2Å; R271-N273 PolarHBondContact O-N 3.41Å | ||
| 272 | Q | 41.8 | Very low | 47.1 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -82.7 | 102.3 | 160.7 | -89.5 | -93 | -34.8 | 0 | 0 | 108.2 | Q270 | Q270-Q272 PolarHBondContact O-N 3.46Š| ||
| 273 | N | 41.1 | Very low | 46.9 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -112.6 | 119.4 | 162.3 | -116.1 | 19.3 | 0 | 0 | 0 | 106.5 | R271 | R271-N273 PolarHBondContact O-N 3.41Š| ||
| 274 | G | 39.3 | Very low | 46.4 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 128.4 | 81.7 | 161 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 275 | A | 45 | Very low | 46 | Very low | 103 Ų | 103 | 152 Ų | 152 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | trans | -143.7 | 140.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 276 | K | 46.2 | Very low | 45.5 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | trans | -80.3 | 140.6 | -151.4 | -59.3 | 173.3 | 178 | 176.9 | 0 | 111.8 | T278 | K276-T278 PolarHBondContact O-N 3Š| ||
| 277 | A | 41.5 | Very low | 45.2 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 88% | 0.884 | 84% | 0.836 | S | S | * | * | trans | -68.2 | 107.8 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | L279 | A277-L279 PolarHBondContact O-N 3.5Š| ||
| 278 | T | 47.3 | Very low | 45.1 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -78.9 | 110.4 | 169.3 | -12.6 | 0 | 0 | 0 | 0 | 108.6 | K276 V280 | K276-T278 PolarHBondContact O-N 3Å; T278-V280 PolarHBondContact O-N 3.49Å | ||
| 279 | L | 46.8 | Very low | 45.2 | Very low | 158 Ų | 158 | 155 Ų | 155 | 83% | 0.827 | 84% | 0.836 | S | S | * | * | trans | -52.7 | 110 | 163.7 | -178.4 | 99.9 | 0 | 0 | 0 | 109.9 | A277 | A277-L279 PolarHBondContact O-N 3.5Š| ||
| 280 | V | 44.9 | Very low | 45.4 | Very low | 137 Ų | 137 | 154 Ų | 154 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | trans | -103.5 | 102.9 | 164.6 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | T278 | T278-V280 PolarHBondContact O-N 3.49Š| ||
| 281 | K | 47.3 | Very low | 45.1 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 80% | 0.796 | 83% | 0.83 | S | S | * | * | trans | -127.3 | 113 | 165 | -175.1 | 172.8 | -176.7 | 173.9 | 0 | 107.2 | ||||
| 282 | T | 51 | Low | 45.4 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 77% | 0.767 | 84% | 0.837 | S | S | * | * | trans | 172.1 | 108.4 | 160.9 | -79.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 283 | S | 47.9 | Very low | 45.7 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 84% | 0.835 | S | S | * | * | 80.9 | 124.8 | 68.2 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 284 | M | 48.2 | Very low | 46.1 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 84% | 0.837 | 84% | 0.843 | S | S | * | * | trans | 71.7 | 125.7 | 170.1 | -55.5 | 179.9 | 179.9 | 0 | 0 | 114.5 | ||||
| 285 | F | 48.1 | Very low | 46.7 | Very low | 278 Ų | 278 | 152.9 Ų | 152.9 | 100% | 1.219 | 85% | 0.847 | S | S | * | * | cis | -132.7 | 0 | 29.8 | -102.6 | -104.4 | 0 | 0 | 0 | 111.8 |
Retrieved 285 of 285 residues in 368.3 ms
(Link to these results)