| 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 | R | 51.6 | Low | 55.9 | Low | 289 Ų | 289 | 153.1 Ų | 153.1 | 100% | 1.091 | 70% | 0.696 | S | S | * | * | 0 | -12.6 | 0 | -89.9 | 171.9 | 161.4 | 165.4 | -8 | 115.5 | |||||
| 2 | G | 54 | Low | 56 | Low | 50 Ų | 50 | 159.4 Ų | 159.4 | 52% | 0.515 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -89 | -8.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 3 | K | 54.8 | Low | 55.9 | Low | 193 Ų | 193 | 154 Ų | 154 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -79.4 | -29.2 | -176.4 | -67.3 | -176.4 | 177.7 | 179.1 | 0 | 113.5 | ||
| 4 | E | 54.5 | Low | 56.1 | Low | 153 Ų | 153 | 158.9 Ų | 158.9 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -74.6 | -39.3 | 176.3 | -77.1 | -169.3 | 138.4 | 0 | 0 | 112.8 | R6 K7 L8 | E4-R6 PolarHBondContact O-N 3.1Å; E4-K7 PolarHBondContact O-N 3.09Å; E4-K7 VanDerWaalsContact O-N 3.09Å; E4-L8 PolarHBondContact O-N 3.26Å; E4-L8 VanDerWaalsContact O-N 3.1Å |
| 5 | Q | 58.1 | Low | 56.2 | Low | 139 Ų | 139 | 152.7 Ų | 152.7 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -60.8 | -34.3 | 178.6 | -67.8 | 177.9 | -36.5 | 0 | 0 | 112 | L8 A9 | Q5-L8 PolarHBondContact O-N 3.14Å; Q5-A9 WeakPolarHBondContact O-CB 3.47Å; Q5-A9 PolarHBondContact O-N 3.4Å |
| 6 | R | 57.2 | Low | 56 | Low | 208 Ų | 208 | 158.8 Ų | 158.8 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71.5 | -29.7 | 177.5 | -158.1 | 172.5 | 145.1 | -171.8 | -6.6 | 113.1 | E4 R10 | E4-R6 PolarHBondContact O-N 3.1Å; R6-R10 WeakPolarHBondContact O-CB 3.38Å; R6-R10 PolarHBondContact O-N 2.75Å |
| 7 | K | 55.2 | Low | 55.9 | Low | 157 Ų | 157 | 156.4 Ų | 156.4 | 68% | 0.683 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -71.1 | -41.7 | 170.9 | -85.1 | -172.1 | 175.5 | -172.8 | 0 | 111.7 | E4 R10 Q11 | E4-K7 PolarHBondContact O-N 3.09Å; E4-K7 VanDerWaalsContact O-N 3.09Å; K7-R10 PolarHBondContact O-N 2.83Å; K7-Q11 PolarHBondContact O-N 3.39Å; K7-Q11 VanDerWaalsContact O-N 3.15Å |
| 8 | L | 54.7 | Low | 56.2 | Low | 103 Ų | 103 | 158 Ų | 158 | 54% | 0.539 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -67.9 | -38 | 177.5 | -69 | 168.9 | 0 | 0 | 0 | 112.2 | E4 Q5 Q11 R12 | E4-L8 PolarHBondContact O-N 3.26Å; E4-L8 VanDerWaalsContact O-N 3.1Å; Q5-L8 PolarHBondContact O-N 3.14Å; L8-Q11 PolarHBondContact O-N 3.31Å; L8-R12 PolarHBondContact O-N 3.15Å; L8-R12 VanDerWaalsContact O-N 3.14Å |
| 9 | A | 56.6 | Low | 56.6 | Low | 51 Ų | 51 | 158.7 Ų | 158.7 | 42% | 0.421 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -63 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q5 Q11 R12 S13 | Q5-A9 WeakPolarHBondContact O-CB 3.47Å; Q5-A9 PolarHBondContact O-N 3.4Å; A9-Q11 VanDerWaalsContact C-N 3.31Å; A9-Q11 PolarHBondContact O-N 3.26Å; A9-R12 PolarHBondContact O-N 3.41Å; A9-S13 PolarHBondContact O-N 3.17Å; A9-S13 PolarHBondContact O-OG 2.9Å |
| 10 | R | 58.4 | Low | 56.9 | Low | 195 Ų | 195 | 154.2 Ų | 154.2 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -66.8 | -26.3 | 176.2 | -177.4 | 172.4 | 148.6 | -129.9 | -3.2 | 113.9 | R6 K7 | R6-R10 WeakPolarHBondContact O-CB 3.38Å; R6-R10 PolarHBondContact O-N 2.75Å; K7-R10 PolarHBondContact O-N 2.83Å |
| 11 | Q | 59.3 | Low | 56.8 | Low | 146 Ų | 146 | 150.4 Ų | 150.4 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -73.1 | -32.4 | 168.9 | -85.7 | -173.7 | -32.3 | 0 | 0 | 112.5 | K7 L8 A9 | K7-Q11 PolarHBondContact O-N 3.39Å; K7-Q11 VanDerWaalsContact O-N 3.15Å; L8-Q11 PolarHBondContact O-N 3.31Å; A9-Q11 VanDerWaalsContact C-N 3.31Å; A9-Q11 PolarHBondContact O-N 3.26Å |
| 12 | R | 57.3 | Low | 57 | Low | 229 Ų | 229 | 140.6 Ų | 140.6 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -80.9 | -29.2 | 179.5 | -76.5 | 178.8 | 152.2 | 173.2 | -6.1 | 113.7 | L8 A9 R14 | L8-R12 PolarHBondContact O-N 3.15Å; L8-R12 VanDerWaalsContact O-N 3.14Å; A9-R12 PolarHBondContact O-N 3.41Å; R12-R14 VanDerWaalsContact C-N 3.26Å; R12-R14 PolarHBondContact O-N 3.23Å |
| 13 | S | 55.1 | Low | 57.1 | Low | 89 Ų | 89 | 145.6 Ų | 145.6 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 36.7 | 173.8 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | A9 A15 | A9-S13 PolarHBondContact O-N 3.17Å; A9-S13 PolarHBondContact O-OG 2.9Å; S13-A15 PolarHBondContact O-N 2.85Å |
| 14 | R | 58.8 | Low | 57.4 | Low | 222 Ų | 222 | 144.4 Ų | 144.4 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -72.4 | 92 | 164.8 | -155.1 | 158.2 | 82.6 | 178.6 | 6.9 | 106.4 | R12 W16 | R12-R14 VanDerWaalsContact C-N 3.26Å; R12-R14 PolarHBondContact O-N 3.23Å; R14-W16 PolarHBondContact O-N 2.75Å | ||
| 15 | A | 57.3 | Low | 58.1 | Low | 67 Ų | 67 | 142.3 Ų | 142.3 | 55% | 0.554 | 72% | 0.724 | S | S | * | * | trans | -46.3 | 136 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S13 L17 | S13-A15 PolarHBondContact O-N 2.85Å; A15-L17 PolarHBondContact O-N 2.62Å | ||
| 16 | W | 53.4 | Low | 58.6 | Low | 250 Ų | 250 | 138.9 Ų | 138.9 | 95% | 0.947 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -62.1 | -5.7 | 177.7 | 47.1 | -65.5 | 0 | 0 | 0 | 113 | R14 | R14-W16 PolarHBondContact O-N 2.75Š|
| 17 | L | 54 | Low | 59.2 | Low | 117 Ų | 117 | 133.5 Ų | 133.5 | 61% | 0.613 | 70% | 0.696 | S | S | * | * | trans | -93.7 | 98.5 | 170.6 | -137.6 | 75.6 | 0 | 0 | 0 | 109.2 | A15 E19 | A15-L17 PolarHBondContact O-N 2.62Å; L17-E19 PolarHBondContact O-N 2.91Å | ||
| 18 | K | 61.8 | Low | 60 | Low | 186 Ų | 186 | 133.6 Ų | 133.6 | 81% | 0.809 | 70% | 0.697 | S | S | * | * | trans | -71.2 | 76.2 | 162.4 | -178.5 | 70 | 174.4 | 176.7 | 0 | 107.2 | G20 | K18-G20 PolarHBondContact O-N 3.38Š| ||
| 19 | E | 64.1 | Low | 61 | Low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -71.9 | 112 | 171 | -134.4 | -179.6 | -175 | 0 | 0 | 107.9 | L17 | L17-E19 PolarHBondContact O-N 2.91Š| ||
| 20 | G | 62.3 | Low | 62 | Low | 67 Ų | 67 | 136.9 Ų | 136.9 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | 92.1 | 108.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | K18 | K18-G20 PolarHBondContact O-N 3.38Š| ||
| 21 | G | 53.4 | Low | 62.6 | Low | 75 Ų | 75 | 132.9 Ų | 132.9 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 168.1 | 41.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D23 | G21-D23 PolarHBondContact O-N 2.91Š|
| 22 | G | 56.3 | Low | 63 | Low | 84 Ų | 84 | 134 Ų | 134 | 87% | 0.866 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 77.3 | 11.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | E24 | G22-E24 PolarHBondContact O-N 3.05Š|
| 23 | D | 56.6 | Low | 63.2 | Low | 155 Ų | 155 | 123.7 Ų | 123.7 | 83% | 0.829 | 67% | 0.672 | S | S | * | * | trans | -88.4 | 89.8 | 164.5 | -120.1 | -5.2 | 0 | 0 | 0 | 107.4 | G21 | G21-D23 PolarHBondContact O-N 2.91Š| ||
| 24 | E | 60.4 | Low | 63.4 | Low | 168 Ų | 168 | 122.2 Ų | 122.2 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | trans | -49.6 | 131.5 | 161.5 | -169.1 | 98.3 | -156.8 | 0 | 0 | 107.4 | G22 L26 | G22-E24 PolarHBondContact O-N 3.05Å; E24-L26 PolarHBondContact O-N 3.4Å; E24-L26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | P | 70.4 | Confident | 63.5 | Low | 109 Ų | 109 | 118.9 Ų | 118.9 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | trans | -52.3 | 126.2 | 178.3 | 20.9 | -32.2 | 0 | 0 | 0 | 109.2 | N27 | P25-N27 PolarHBondContact O-N 2.99Š| ||
| 26 | L | 68.4 | Low | 63.2 | Low | 66 Ų | 66 | 123.2 Ų | 123.2 | 35% | 0.346 | 66% | 0.66 | S | S | . | * | trans | -51.8 | 115.7 | -174.4 | -175.6 | 62.9 | 0 | 0 | 0 | 110.1 | E24 F28 V33 | E24-L26 PolarHBondContact O-N 3.4Å; E24-L26 VanDerWaalsContact O-N 3.09Å; L26-F28 WeakPolarHBondContact O-CD2 3.27Å; L26-F28 PolarHBondContact O-N 3.21Å; L26-V33 HydrophobicContact CD1-CB 4.16Å; L26-V33 HydrophobicContact CD1-CG1 3.52Å; L26-V33 HydrophobicContact CD1-CG2 3.55Å; L26-V33 HydrophobicContact CD2-CG1 3.68Å; L26-V33 HydrophobicContact CG-CB 4.49Å; L26-V33 HydrophobicContact CG-CG1 3.38Å; L26-V33 HydrophobicContact CG-CG2 4.33Å | ||
| 27 | N | 70.1 | Confident | 63.3 | Low | 96 Ų | 96 | 115.2 Ų | 115.2 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | trans | -78 | 107.5 | -177.6 | -175.1 | -4.6 | 0 | 0 | 0 | 110.3 | P25 L29 D30 | P25-N27 PolarHBondContact O-N 2.99Å; N27-L29 PolarHBondContact O-N 2.89Å; N27-L29 VanDerWaalsContact O-N 3.16Å; N27-L29 WeakPolarHBondContact OD1-CB 3.15Å; N27-L29 PolarHBondContact OD1-N 3.38Å; N27-D30 PolarHBondContact O-N 2.86Å | ||
| 28 | F | 71.9 | Confident | 63.2 | Low | 159 Ų | 159 | 116.6 Ų | 116.6 | 70% | 0.697 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -12.1 | 179.6 | -62.6 | -78.3 | 0 | 0 | 0 | 114.5 | L26 V37 | L26-F28 WeakPolarHBondContact O-CD2 3.27Å; L26-F28 PolarHBondContact O-N 3.21Å; F28-V37 HydrophobicContact CE1-CG2 4.35Å |
| 29 | L | 75.4 | Confident | 62.5 | Low | 156 Ų | 156 | 111.1 Ų | 111.1 | 82% | 0.817 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -9.6 | 177.9 | -56.2 | 179 | 0 | 0 | 0 | 113 | N27 P31 | N27-L29 PolarHBondContact O-N 2.89Å; N27-L29 VanDerWaalsContact O-N 3.16Å; N27-L29 WeakPolarHBondContact OD1-CB 3.15Å; N27-L29 PolarHBondContact OD1-N 3.38Å; L29-P31 WeakPolarHBondContact O-CD 3.16Å |
| 30 | D | 77.6 | Confident | 61.9 | Low | 66 Ų | 66 | 108 Ų | 108 | 35% | 0.353 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -80 | 120 | 174.4 | -174.1 | -14.7 | 0 | 0 | 0 | 110 | N27 K32 V33 | N27-D30 PolarHBondContact O-N 2.86Å; D30-K32 PolarHBondContact O-N 3.34Å; D30-K32 WeakPolarHBondContact OD1-CB 3.5Å; D30-K32 PolarHBondContact OD1-N 2.94Å; D30-V33 HydrophobicContact CB-CB 4.23Å; D30-V33 HydrophobicContact CB-CG2 3.81Å; D30-V33 VanDerWaalsContact O-CB 3.31Å; D30-V33 WeakPolarHBondContact O-CB 3.39Å; D30-V33 PolarHBondContact O-N 2.9Å |
| 31 | P | 70.7 | Confident | 61.4 | Low | 112 Ų | 112 | 112.8 Ų | 112.8 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -26.5 | 177.9 | -25.1 | 34.4 | 0 | 0 | 0 | 114 | L29 V33 | L29-P31 WeakPolarHBondContact O-CD 3.16Å; P31-V33 VanDerWaalsContact C-N 3.25Å; P31-V33 PolarHBondContact O-N 3.37Å |
| 32 | K | 67.4 | Low | 61.4 | Low | 170 Ų | 170 | 115 Ų | 115 | 74% | 0.739 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -20 | 177.2 | -64.6 | 175.8 | -179.3 | 176.1 | 0 | 112.8 | D30 | D30-K32 PolarHBondContact O-N 3.34Å; D30-K32 WeakPolarHBondContact OD1-CB 3.5Å; D30-K32 PolarHBondContact OD1-N 2.94Å |
| 33 | V | 62.1 | Low | 61.2 | Low | 12 Ų | 12 | 113.4 Ų | 113.4 | 7% | 0.073 | 62% | 0.617 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -30.3 | -178.9 | 167.4 | 0 | 0 | 0 | 0 | 111.9 | L26 D30 P31 Q35 R36 V37 | L26-V33 HydrophobicContact CD1-CB 4.16Å; L26-V33 HydrophobicContact CD1-CG1 3.52Å; L26-V33 HydrophobicContact CD1-CG2 3.55Å; L26-V33 HydrophobicContact CD2-CG1 3.68Å; L26-V33 HydrophobicContact CG-CB 4.49Å; L26-V33 HydrophobicContact CG-CG1 3.38Å; L26-V33 HydrophobicContact CG-CG2 4.33Å; D30-V33 HydrophobicContact CB-CB 4.23Å; D30-V33 HydrophobicContact CB-CG2 3.81Å; D30-V33 VanDerWaalsContact O-CB 3.31Å; D30-V33 WeakPolarHBondContact O-CB 3.39Å; D30-V33 PolarHBondContact O-N 2.9Å; P31-V33 VanDerWaalsContact C-N 3.25Å; P31-V33 PolarHBondContact O-N 3.37Å; V33-Q35 PolarHBondContact O-N 3.06Å; V33-Q35 VanDerWaalsContact O-N 3.07Å; V33-R36 PolarHBondContact O-N 3.35Å; V33-V37 PolarHBondContact O-N 3.04Å |
| 34 | A | 59.2 | Low | 61.2 | Low | 58 Ų | 58 | 112.2 Ų | 112.2 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -54.2 | -31.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 35 | Q | 59.9 | Low | 60.9 | Low | 151 Ų | 151 | 107.3 Ų | 107.3 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.8 | -25.9 | -179.8 | -158.2 | 165.2 | 2.4 | 0 | 0 | 113.4 | V33 L38 A39 | V33-Q35 PolarHBondContact O-N 3.06Å; V33-Q35 VanDerWaalsContact O-N 3.07Å; Q35-L38 PolarHBondContact O-N 3.45Å; Q35-A39 WeakPolarHBondContact O-CB 3.4Å; Q35-A39 PolarHBondContact O-N 3.46Å |
| 36 | R | 52.9 | Low | 60.4 | Low | 158 Ų | 158 | 114.6 Ų | 114.6 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.3 | -28.9 | 176.5 | -75.7 | 173.9 | 65.5 | -172.8 | -0.4 | 112.7 | V33 L38 | V33-R36 PolarHBondContact O-N 3.35Å; R36-L38 PolarHBondContact O-N 3.43Å |
| 37 | V | 53.6 | Low | 59.7 | Low | 83 Ų | 83 | 114 Ų | 114 | 50% | 0.503 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.1 | -22.6 | 175.6 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | F28 V33 | F28-V37 HydrophobicContact CE1-CG2 4.35Å; V33-V37 PolarHBondContact O-N 3.04Å |
| 38 | L | 51.9 | Low | 59.4 | Low | 146 Ų | 146 | 121.1 Ų | 121.1 | 76% | 0.764 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -98 | -25.7 | 175.1 | -64.2 | 174.6 | 0 | 0 | 0 | 113.6 | Q35 R36 | Q35-L38 PolarHBondContact O-N 3.45Å; R36-L38 PolarHBondContact O-N 3.43Å |
| 39 | A | 47.6 | Very low | 59.1 | Low | 71 Ų | 71 | 122.6 Ų | 122.6 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -92.9 | -1.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q35 Q41 | Q35-A39 WeakPolarHBondContact O-CB 3.4Å; Q35-A39 PolarHBondContact O-N 3.46Å; A39-Q41 PolarHBondContact O-N 2.98Å |
| 40 | T | 51.9 | Low | 58.7 | Low | 107 Ų | 107 | 123.1 Ų | 123.1 | 66% | 0.656 | 66% | 0.658 | S | S | * | * | trans | -71.5 | 77.1 | 150.6 | 47.6 | 0 | 0 | 0 | 0 | 107.3 | P42 | T40-P42 WeakPolarHBondContact O-CD 2.9Å; T40-P42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | Q | 51.5 | Low | 58.4 | Low | 166 Ų | 166 | 127.5 Ų | 127.5 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | trans | -51.3 | 115.6 | 144.6 | -78.4 | -179 | -22 | 0 | 0 | 104.6 | A39 G43 | A39-Q41 PolarHBondContact O-N 2.98Å; Q41-G43 PolarHBondContact O-N 3.07Å | ||
| 42 | P | 54 | Low | 58.8 | Low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | trans | -57.5 | 103.7 | 163.5 | 25.2 | -30 | 0 | 0 | 0 | 103.9 | T40 | T40-P42 WeakPolarHBondContact O-CD 2.9Å; T40-P42 VanDerWaalsContact O-N 3.1Å | ||
| 43 | G | 51.5 | Low | 59.5 | Low | 50 Ų | 50 | 124.8 Ų | 124.8 | 52% | 0.515 | 68% | 0.681 | S | S | . | * | trans | -49.3 | 138.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q41 G45 | Q41-G43 PolarHBondContact O-N 3.07Å; G43-G45 VanDerWaalsContact C-N 3.27Å; G43-G45 VanDerWaalsContact O-CA 3.27Å; G43-G45 WeakPolarHBondContact O-CA 3.39Å; G43-G45 PolarHBondContact O-N 2.9Å | ||
| 44 | P | 57.9 | Low | 60.6 | Low | 131 Ų | 131 | 131.5 Ų | 131.5 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | trans | -48.5 | 97.4 | -168 | 15.8 | -29.6 | 0 | 0 | 0 | 108.9 | R46 | P44-R46 PolarHBondContact O-N 3.26Š| ||
| 45 | G | 53.7 | Low | 62 | Low | 65 Ų | 65 | 135.1 Ų | 135.1 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | trans | -68.8 | 103.4 | -166 | 0 | 0 | 0 | 0 | 0 | 105.1 | G43 G47 | G43-G45 VanDerWaalsContact C-N 3.27Å; G43-G45 VanDerWaalsContact O-CA 3.27Å; G43-G45 WeakPolarHBondContact O-CA 3.39Å; G43-G45 PolarHBondContact O-N 2.9Å; G45-G47 PolarHBondContact O-N 2.96Å | ||
| 46 | R | 58.7 | Low | 63.4 | Low | 262 Ų | 262 | 132 Ų | 132 | 99% | 0.989 | 71% | 0.705 | S | S | * | * | trans | -70.1 | 74.7 | 170.9 | -159.3 | 177 | -173.8 | 179.1 | 1.8 | 107.1 | P44 | P44-R46 PolarHBondContact O-N 3.26Š| ||
| 47 | G | 55 | Low | 65.1 | Low | 54 Ų | 54 | 126.8 Ų | 126.8 | 56% | 0.557 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -158.2 | 114.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | G45 K49 | G45-G47 PolarHBondContact O-N 2.96Å; G47-K49 PolarHBondContact O-N 3.16Å; G47-K49 VanDerWaalsContact O-N 3.17Å |
| 48 | R | 63.2 | Low | 66.8 | Low | 244 Ų | 244 | 128.6 Ų | 128.6 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -33.5 | 126.1 | 162.7 | -95.6 | 155 | 58 | -172.9 | 1 | 108 | K50 | R48-K50 PolarHBondContact O-N 3.15Š| ||
| 49 | K | 65.8 | Low | 68.6 | Low | 190 Ų | 190 | 126.4 Ų | 126.4 | 83% | 0.826 | 71% | 0.706 | S | S | * | * | trans | -45.9 | 111.4 | 168.8 | -64.7 | -173.4 | -179.1 | -175 | 0 | 105.7 | G47 D51 | G47-K49 PolarHBondContact O-N 3.16Å; G47-K49 VanDerWaalsContact O-N 3.17Å; K49-D51 PolarHBondContact O-N 3.08Å | ||
| 50 | K | 66.4 | Low | 70.5 | Confident | 168 Ų | 168 | 125.6 Ų | 125.6 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | trans | -69.5 | 116.1 | 169.3 | -104 | 171.5 | 171.7 | 175.5 | 0 | 103.4 | R48 H52 | R48-K50 PolarHBondContact O-N 3.15Å; K50-H52 VanDerWaalsContact C-N 3.34Å; K50-H52 PolarHBondContact O-CD2 2.92Å; K50-H52 PolarHBondContact O-N 2.85Å; K50-H52 PolarHBondContact O-NE2 2.67Å | ||
| 51 | D | 72.4 | Confident | 72.3 | Confident | 157 Ų | 157 | 129.2 Ų | 129.2 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | trans | -64.4 | 102.9 | 174.3 | -64.4 | -40.2 | 0 | 0 | 0 | 107 | K49 G53 | K49-D51 PolarHBondContact O-N 3.08Å; D51-G53 PolarHBondContact O-N 3.45Å | ||
| 52 | H | 79.1 | Confident | 74.1 | Confident | 149 Ų | 149 | 126.6 Ų | 126.6 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | trans | -79.3 | 10.6 | -177.7 | -67.2 | -69.2 | 0 | 0 | 0 | 112.2 | K50 F54 | K50-H52 VanDerWaalsContact C-N 3.34Å; K50-H52 PolarHBondContact O-CD2 2.92Å; K50-H52 PolarHBondContact O-N 2.85Å; K50-H52 PolarHBondContact O-NE2 2.67Å; H52-F54 HydrophobicContact CB-CD2 3.73Å; H52-F54 HydrophobicContact CB-CE2 4.04Å; H52-F54 WeakPolarHBondContact O-CD2 3.33Å; H52-F54 WeakPolarHBondContact O-CE2 3.48Å; H52-F54 PolarHBondContact O-N 2.96Å | ||
| 53 | G | 81.3 | Confident | 75.8 | Confident | 76 Ų | 76 | 124.2 Ų | 124.2 | 78% | 0.784 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 78.6 | -1.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D51 | D51-G53 PolarHBondContact O-N 3.45Š|
| 54 | F | 85.4 | Confident | 77.5 | Confident | 153 Ų | 153 | 128.8 Ų | 128.8 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | trans | -86.5 | 133.4 | 176.7 | -59.6 | -74.7 | 0 | 0 | 0 | 111.4 | H52 L62 | H52-F54 HydrophobicContact CB-CD2 3.73Å; H52-F54 HydrophobicContact CB-CE2 4.04Å; H52-F54 WeakPolarHBondContact O-CD2 3.33Å; H52-F54 WeakPolarHBondContact O-CE2 3.48Å; H52-F54 PolarHBondContact O-N 2.96Å; F54-L62 HydrophobicContact CB-CD2 4.17Å | ||
| 55 | K | 88.1 | Confident | 78.7 | Confident | 135 Ų | 135 | 131.1 Ų | 131.1 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | trans | -81.9 | 136.7 | 172 | -64.4 | -177.1 | 177.7 | 179.1 | 0 | 109.5 | I63 | K55-I63 HydrophobicContact CB-CB 4.25Å; K55-I63 HydrophobicContact CB-CD1 4.08Å; K55-I63 PolarHBondContact O-N 3.07Å | ||
| 56 | V | 88.8 | Confident | 79.7 | Confident | 84 Ų | 84 | 137.7 Ų | 137.7 | 51% | 0.509 | 69% | 0.694 | S | S | . | * | B | Isolated β-bridge | trans | -116.5 | 136.1 | 178.6 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | G60 R61 L62 | V56-G60 WeakPolarHBondContact CG1-O 3.08Å; V56-R61 CarbonylContact C-O 3.57Å; V56-R61 WeakPolarHBondContact CA-O 3.22Å; V56-R61 WeakPolarHBondContact CG1-O 3.49Å; V56-L62 HydrophobicContact CG2-CD2 4.14Å |
| 57 | S | 89.3 | Confident | 79.9 | Confident | 49 Ų | 49 | 133.6 Ų | 133.6 | 34% | 0.343 | 69% | 0.686 | S | S | . | * | trans | -70 | 165.2 | 172.3 | -76.6 | 0 | 0 | 0 | 0 | 111.4 | D59 G60 R61 I63 | S57-D59 WeakPolarHBondContact CB-OD1 3.09Å; S57-D59 PolarHBondContact O-N 3.44Å; S57-D59 VanDerWaalsContact O-N 3.15Å; S57-G60 PolarHBondContact O-N 3.21Å; S57-R61 PolarHBondContact N-O 3.22Å; S57-I63 WeakPolarHBondContact OG-CD1 3.39Å; S57-I63 VanDerWaalsContact OG-CG1 3.25Å; S57-I63 WeakPolarHBondContact OG-CG1 3.31Å | ||
| 58 | A | 89.4 | Confident | 79.9 | Confident | 122 Ų | 122 | 135.2 Ų | 135.2 | 100% | 1.008 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -23.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G60 | A58-G60 VanDerWaalsContact C-N 3.31Š|
| 59 | D | 89.6 | Confident | 79.5 | Confident | 99 Ų | 99 | 131.2 Ų | 131.2 | 53% | 0.529 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | 0 | 175.8 | 69.5 | -16.2 | 0 | 0 | 0 | 113.7 | S57 R61 | S57-D59 WeakPolarHBondContact CB-OD1 3.09Å; S57-D59 PolarHBondContact O-N 3.44Å; S57-D59 VanDerWaalsContact O-N 3.15Å; D59-R61 PolarHBondContact OD1-N 3.16Å; D59-R61 VanDerWaalsContact OD1-N 3.16Å; D59-R61 VanDerWaalsContact OD2-CD 3.22Å; D59-R61 WeakPolarHBondContact OD2-CD 3.48Å; D59-R61 WeakPolarHBondContact OD2-CG 3.25Å; D59-R61 IonicContact OD2-CZ 3.89Å; D59-R61 IonicContact OD2-NE 3.59Å; D59-R61 IonicContact OD2-NH1 3.79Å |
| 60 | G | 86.9 | Confident | 78.9 | Confident | 55 Ų | 55 | 125.4 Ų | 125.4 | 57% | 0.567 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 86.9 | 5.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V56 S57 A58 | V56-G60 WeakPolarHBondContact CG1-O 3.08Å; S57-G60 PolarHBondContact O-N 3.21Å; A58-G60 VanDerWaalsContact C-N 3.31Å |
| 61 | R | 89.6 | Confident | 78.1 | Confident | 182 Ų | 182 | 123 Ų | 123 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | trans | -84.5 | 147.9 | 177.1 | -64.3 | -177.5 | 179 | 161.2 | -3.9 | 112.2 | V56 S57 D59 | V56-R61 CarbonylContact C-O 3.57Å; V56-R61 WeakPolarHBondContact CA-O 3.22Å; V56-R61 WeakPolarHBondContact CG1-O 3.49Å; S57-R61 PolarHBondContact N-O 3.22Å; D59-R61 PolarHBondContact OD1-N 3.16Å; D59-R61 VanDerWaalsContact OD1-N 3.16Å; D59-R61 VanDerWaalsContact OD2-CD 3.22Å; D59-R61 WeakPolarHBondContact OD2-CD 3.48Å; D59-R61 WeakPolarHBondContact OD2-CG 3.25Å; D59-R61 IonicContact OD2-CZ 3.89Å; D59-R61 IonicContact OD2-NE 3.59Å; D59-R61 IonicContact OD2-NH1 3.79Å | ||
| 62 | L | 89.4 | Confident | 77.2 | Confident | 111 Ų | 111 | 125.3 Ų | 125.3 | 58% | 0.581 | 68% | 0.682 | S | S | * | * | B | Isolated β-bridge | trans | -71.4 | 133.4 | 173.7 | -61.5 | 178.5 | 0 | 0 | 0 | 110.3 | F54 V56 | F54-L62 HydrophobicContact CB-CD2 4.17Å; V56-L62 HydrophobicContact CG2-CD2 4.14Å |
| 63 | I | 90.3 | Very high | 75.8 | Confident | 72 Ų | 72 | 125 Ų | 125 | 37% | 0.369 | 68% | 0.683 | S | S | . | * | trans | -89.4 | 107.1 | 176.8 | -59.1 | 172.4 | 0 | 0 | 0 | 108.4 | K55 S57 R65 | K55-I63 HydrophobicContact CB-CB 4.25Å; K55-I63 HydrophobicContact CB-CD1 4.08Å; K55-I63 PolarHBondContact O-N 3.07Å; S57-I63 WeakPolarHBondContact OG-CD1 3.39Å; S57-I63 VanDerWaalsContact OG-CG1 3.25Å; S57-I63 WeakPolarHBondContact OG-CG1 3.31Å; I63-R65 HydrophobicContact CG2-CG 4.48Å | ||
| 64 | I | 86.9 | Confident | 74.4 | Confident | 146 Ų | 146 | 130.7 Ų | 130.7 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | trans | -103.7 | 126.7 | 172.8 | -55.6 | 173.7 | 0 | 0 | 0 | 107.6 | ||||
| 65 | R | 83.8 | Confident | 72.3 | Confident | 180 Ų | 180 | 131.7 Ų | 131.7 | 68% | 0.679 | 70% | 0.696 | S | S | * | * | trans | -105.4 | 129.5 | 173.4 | -62.7 | 178.5 | -179.6 | -175.7 | -5.5 | 107.5 | I63 E67 | I63-R65 HydrophobicContact CG2-CG 4.48Å; R65-E67 VanDerWaalsContact C-N 3.26Å; R65-E67 PolarHBondContact O-N 3.09Å | ||
| 66 | E | 75.1 | Confident | 70.3 | Confident | 204 Ų | 204 | 134.5 Ų | 134.5 | 95% | 0.953 | 71% | 0.711 | S | S | * | * | trans | -77.8 | -12.3 | -177.3 | -68.8 | 179.7 | 164.5 | 0 | 0 | 113.1 | ||||
| 67 | E | 61.7 | Low | 68 | Low | 176 Ų | 176 | 139.3 Ų | 139.3 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -103.1 | 127.2 | -173.4 | -153.7 | 170.1 | -156.5 | 0 | 0 | 111.3 | R65 D69 | R65-E67 VanDerWaalsContact C-N 3.26Å; R65-E67 PolarHBondContact O-N 3.09Å; E67-D69 PolarHBondContact O-N 3.03Å; E67-D69 VanDerWaalsContact O-N 3.14Å |
| 68 | A | 56.4 | Low | 66 | Low | 87 Ų | 87 | 140.7 Ų | 140.7 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | trans | -55.7 | 112.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 69 | D | 53.6 | Low | 63.8 | Low | 160 Ų | 160 | 139.6 Ų | 139.6 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | -172.8 | 135.3 | 130.1 | -92.5 | -29.2 | 0 | 0 | 0 | 111.1 | E67 | E67-D69 PolarHBondContact O-N 3.03Å; E67-D69 VanDerWaalsContact O-N 3.14Å | ||
| 70 | G | 52.7 | Low | 62 | Low | 68 Ų | 68 | 145 Ų | 145 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -53.9 | 148.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | K72 | G70-K72 PolarHBondContact O-N 3.32Š| ||
| 71 | N | 51.1 | Low | 60.2 | Low | 118 Ų | 118 | 145.7 Ų | 145.7 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | trans | 25.6 | 99.5 | 151.1 | -161.9 | 39.7 | 0 | 0 | 0 | 115.2 | M73 | N71-M73 WeakPolarHBondContact ND2-CE 3.47Å; N71-M73 WeakPolarHBondContact ND2-CG 3.36Å; N71-M73 PolarHBondContact O-N 2.98Å | ||
| 72 | K | 52.6 | Low | 58.6 | Low | 206 Ų | 206 | 138.8 Ų | 138.8 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | trans | -61.6 | 77.1 | 164.6 | -144.3 | -178.5 | -174.1 | -169.3 | 0 | 108.1 | G70 | G70-K72 PolarHBondContact O-N 3.32Š| ||
| 73 | M | 50.1 | Low | 57.2 | Low | 142 Ų | 142 | 138.8 Ų | 138.8 | 70% | 0.7 | 76% | 0.759 | S | S | * | * | trans | -69.9 | 122.6 | 157.5 | -64.8 | -172.4 | 177.1 | 0 | 0 | 104.6 | N71 E75 | N71-M73 WeakPolarHBondContact ND2-CE 3.47Å; N71-M73 WeakPolarHBondContact ND2-CG 3.36Å; N71-M73 PolarHBondContact O-N 2.98Å; M73-E75 PolarHBondContact O-N 3.32Å; M73-E75 VanDerWaalsContact O-N 3.08Å | ||
| 74 | E | 51.2 | Low | 55.7 | Low | 196 Ų | 196 | 140.8 Ų | 140.8 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -57.9 | 108.7 | 161.7 | -65.2 | 177.3 | 163.7 | 0 | 0 | 107.2 | ||||
| 75 | E | 41.8 | Very low | 54.5 | Low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -151.1 | 108 | 156.1 | -154.5 | 158.7 | -164.5 | 0 | 0 | 107.1 | M73 E77 | M73-E75 PolarHBondContact O-N 3.32Å; M73-E75 VanDerWaalsContact O-N 3.08Å; E75-E77 PolarHBondContact O-N 3.14Å | ||
| 76 | E | 46.6 | Very low | 53.6 | Low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | trans | -51.3 | 121.5 | 148 | -95.4 | -154.5 | 137.4 | 0 | 0 | 107.6 | ||||
| 77 | E | 40.3 | Very low | 53.2 | Low | 185 Ų | 185 | 128.1 Ų | 128.1 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | -177.6 | 133.3 | 115.5 | -153.4 | -177.7 | 177.8 | 0 | 0 | 108.4 | E75 A79 | E75-E77 PolarHBondContact O-N 3.14Å; E77-A79 PolarHBondContact O-N 3.48Å | |||
| 78 | G | 47 | Very low | 53.4 | Low | 79 Ų | 79 | 125.9 Ų | 125.9 | 81% | 0.814 | 73% | 0.725 | S | S | * | * | trans | -69.4 | 119.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 79 | A | 43.3 | Very low | 53.8 | Low | 99 Ų | 99 | 125.2 Ų | 125.2 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -116 | 90.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E77 G81 | E77-A79 PolarHBondContact O-N 3.48Å; A79-G81 VanDerWaalsContact C-N 3.26Å; A79-G81 PolarHBondContact O-N 2.88Å | ||
| 80 | K | 51.5 | Low | 54.4 | Low | 211 Ų | 211 | 123.8 Ų | 123.8 | 92% | 0.917 | 70% | 0.701 | S | S | * | * | trans | -64.8 | 88.3 | 164.9 | -78.3 | -105.4 | -179.2 | 175.1 | 0 | 108.6 | G82 | K80-G82 VanDerWaalsContact C-N 3.32Å; K80-G82 PolarHBondContact O-N 2.97Å | ||
| 81 | G | 48.6 | Very low | 55.1 | Low | 71 Ų | 71 | 124.4 Ų | 124.4 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | trans | -67.5 | 88.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | A79 | A79-G81 VanDerWaalsContact C-N 3.26Å; A79-G81 PolarHBondContact O-N 2.88Å | ||
| 82 | G | 57.8 | Low | 55.9 | Low | 37 Ų | 37 | 123.3 Ų | 123.3 | 38% | 0.381 | 69% | 0.688 | S | S | . | * | trans | -67 | 164.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K80 N84 A85 | K80-G82 VanDerWaalsContact C-N 3.32Å; K80-G82 PolarHBondContact O-N 2.97Å; G82-N84 PolarHBondContact O-N 3.23Å; G82-A85 PolarHBondContact O-N 3.14Å | ||
| 83 | P | 58.8 | Low | 56.7 | Low | 110 Ų | 110 | 120.5 Ų | 120.5 | 71% | 0.714 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -56.7 | -20.9 | -174.9 | 23.9 | -34.9 | 0 | 0 | 0 | 113.6 | A85 L86 V87 | P83-A85 VanDerWaalsContact C-N 3.3Å; P83-A85 PolarHBondContact O-N 3.47Å; P83-L86 PolarHBondContact O-N 3.43Å; P83-V87 WeakPolarHBondContact O-CG2 3.19Å; P83-V87 PolarHBondContact O-N 3.4Å |
| 84 | N | 59.7 | Low | 57.4 | Low | 115 Ų | 115 | 116.8 Ų | 116.8 | 62% | 0.615 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -61.7 | -29.4 | 175.2 | -78.9 | -35.9 | 0 | 0 | 0 | 114.1 | G82 H88 | G82-N84 PolarHBondContact O-N 3.23Å; N84-H88 PolarHBondContact O-N 3.45Å; N84-H88 VanDerWaalsContact O-N 3.17Å; N84-H88 PolarHBondContact O-ND1 3.47Å |
| 85 | A | 60.7 | Low | 58.1 | Low | 61 Ų | 61 | 115.7 Ų | 115.7 | 50% | 0.504 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69 | -35.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G82 P83 H88 S89 | G82-A85 PolarHBondContact O-N 3.14Å; P83-A85 VanDerWaalsContact C-N 3.3Å; P83-A85 PolarHBondContact O-N 3.47Å; A85-H88 PolarHBondContact O-N 2.95Å; A85-S89 PolarHBondContact O-N 3.45Å |
| 86 | L | 65.4 | Low | 58.8 | Low | 129 Ų | 129 | 111.8 Ų | 111.8 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.6 | -39.8 | -179 | -157.9 | 146.8 | 0 | 0 | 0 | 110.8 | P83 S89 F90 | P83-L86 PolarHBondContact O-N 3.43Å; L86-S89 PolarHBondContact O-N 3.17Å; L86-S89 PolarHBondContact O-OG 3.37Å; L86-F90 WeakPolarHBondContact O-CB 3.48Å; L86-F90 PolarHBondContact O-N 3.45Å |
| 87 | V | 67.1 | Low | 59.4 | Low | 74 Ų | 74 | 109.5 Ų | 109.5 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.5 | -41.8 | 175.2 | -130.7 | 0 | 0 | 0 | 0 | 111.9 | P83 S89 F90 T91 | P83-V87 WeakPolarHBondContact O-CG2 3.19Å; P83-V87 PolarHBondContact O-N 3.4Å; V87-S89 VanDerWaalsContact C-N 3.35Å; V87-S89 PolarHBondContact O-N 3.33Å; V87-F90 PolarHBondContact O-N 2.88Å; V87-T91 WeakPolarHBondContact O-CB 3.26Å; V87-T91 PolarHBondContact O-N 3.32Å; V87-T91 PolarHBondContact O-OG1 3.33Å |
| 88 | H | 65.9 | Low | 60.2 | Low | 129 Ų | 129 | 102.8 Ų | 102.8 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.2 | -41.8 | 175.7 | -76.7 | 80.1 | 0 | 0 | 0 | 111.5 | N84 A85 T91 V92 | N84-H88 PolarHBondContact O-N 3.45Å; N84-H88 VanDerWaalsContact O-N 3.17Å; N84-H88 PolarHBondContact O-ND1 3.47Å; A85-H88 PolarHBondContact O-N 2.95Å; H88-T91 PolarHBondContact O-N 2.96Å; H88-V92 WeakPolarHBondContact O-CB 3.42Å; H88-V92 WeakPolarHBondContact O-CG2 3.4Å; H88-V92 PolarHBondContact O-N 2.74Å |
| 89 | S | 63 | Low | 60.7 | Low | 72 Ų | 72 | 104.7 Ų | 104.7 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.4 | -39 | 176.9 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | A85 L86 V87 F93 | A85-S89 PolarHBondContact O-N 3.45Å; L86-S89 PolarHBondContact O-N 3.17Å; L86-S89 PolarHBondContact O-OG 3.37Å; V87-S89 VanDerWaalsContact C-N 3.35Å; V87-S89 PolarHBondContact O-N 3.33Å; S89-F93 VanDerWaalsContact O-CB 3.26Å; S89-F93 WeakPolarHBondContact O-CB 3.41Å; S89-F93 PolarHBondContact O-N 3.04Å |
| 90 | F | 67.7 | Low | 61.1 | Low | 130 Ų | 130 | 108 Ų | 108 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.3 | -40.6 | 176.5 | -175.4 | -102.7 | 0 | 0 | 0 | 112.5 | L86 V87 F93 T94 | L86-F90 WeakPolarHBondContact O-CB 3.48Å; L86-F90 PolarHBondContact O-N 3.45Å; V87-F90 PolarHBondContact O-N 2.88Å; F90-F93 PolarHBondContact O-N 3.47Å; F90-T94 HydrophobicContact CE1-CG2 4.22Å; F90-T94 HydrophobicContact CE2-CG2 4.4Å; F90-T94 HydrophobicContact CZ-CG2 4.13Å; F90-T94 WeakPolarHBondContact O-CG2 3.43Å; F90-T94 PolarHBondContact O-N 3.01Å; F90-T94 PolarHBondContact O-OG1 3Å |
| 91 | T | 66.6 | Low | 61.4 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68 | -41.9 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | V87 H88 F93 T94 Y95 | V87-T91 WeakPolarHBondContact O-CB 3.26Å; V87-T91 PolarHBondContact O-N 3.32Å; V87-T91 PolarHBondContact O-OG1 3.33Å; H88-T91 PolarHBondContact O-N 2.96Å; T91-F93 VanDerWaalsContact C-N 3.34Å; T91-F93 PolarHBondContact O-N 3.35Å; T91-T94 PolarHBondContact O-N 2.8Å; T91-T94 PolarHBondContact O-OG1 3.07Å; T91-T94 VanDerWaalsContact O-OG1 3.07Å; T91-Y95 WeakPolarHBondContact O-CB 3.07Å; T91-Y95 PolarHBondContact O-N 2.96Å |
| 92 | V | 68.9 | Low | 61.8 | Low | 94 Ų | 94 | 108.9 Ų | 108.9 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.5 | -36.6 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | H88 S96 | H88-V92 WeakPolarHBondContact O-CB 3.42Å; H88-V92 WeakPolarHBondContact O-CG2 3.4Å; H88-V92 PolarHBondContact O-N 2.74Å; V92-S96 WeakPolarHBondContact O-CB 3.38Å; V92-S96 PolarHBondContact O-N 3.01Å; V92-S96 VanDerWaalsContact O-N 3.14Å; V92-S96 PolarHBondContact O-OG 3.03Å |
| 93 | F | 69.1 | Low | 61.9 | Low | 147 Ų | 147 | 118.4 Ų | 118.4 | 65% | 0.645 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.2 | -44.3 | 176.4 | -174.9 | -98 | 0 | 0 | 0 | 112.5 | S89 F90 T91 F97 | S89-F93 VanDerWaalsContact O-CB 3.26Å; S89-F93 WeakPolarHBondContact O-CB 3.41Å; S89-F93 PolarHBondContact O-N 3.04Å; F90-F93 PolarHBondContact O-N 3.47Å; T91-F93 VanDerWaalsContact C-N 3.34Å; T91-F93 PolarHBondContact O-N 3.35Å; F93-F97 PolarHBondContact O-N 2.96Å |
| 94 | T | 64 | Low | 61.8 | Low | 64 Ų | 64 | 122.9 Ų | 122.9 | 39% | 0.393 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.8 | -35.7 | 179.3 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | F90 T91 F97 G98 | F90-T94 HydrophobicContact CE1-CG2 4.22Å; F90-T94 HydrophobicContact CE2-CG2 4.4Å; F90-T94 HydrophobicContact CZ-CG2 4.13Å; F90-T94 WeakPolarHBondContact O-CG2 3.43Å; F90-T94 PolarHBondContact O-N 3.01Å; F90-T94 PolarHBondContact O-OG1 3Å; T91-T94 PolarHBondContact O-N 2.8Å; T91-T94 PolarHBondContact O-OG1 3.07Å; T91-T94 VanDerWaalsContact O-OG1 3.07Å; T94-F97 PolarHBondContact O-N 3.48Å; T94-G98 PolarHBondContact O-N 2.9Å |
| 95 | Y | 65.9 | Low | 61.4 | Low | 174 Ų | 174 | 129.5 Ų | 129.5 | 68% | 0.682 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.6 | -39.8 | 174.9 | -166.8 | -105.3 | 0 | 0 | 0 | 112.1 | T91 F97 D99 | T91-Y95 WeakPolarHBondContact O-CB 3.07Å; T91-Y95 PolarHBondContact O-N 2.96Å; Y95-F97 PolarHBondContact O-N 3.47Å; Y95-D99 PolarHBondContact O-N 3.45Å |
| 96 | S | 57.8 | Low | 60.6 | Low | 90 Ų | 90 | 133.9 Ų | 133.9 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.2 | -27.5 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | V92 | V92-S96 WeakPolarHBondContact O-CB 3.38Å; V92-S96 PolarHBondContact O-N 3.01Å; V92-S96 VanDerWaalsContact O-N 3.14Å; V92-S96 PolarHBondContact O-OG 3.03Å |
| 97 | F | 57.2 | Low | 60.4 | Low | 146 Ų | 146 | 134.1 Ų | 134.1 | 64% | 0.64 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -86.7 | -34 | 175.8 | -171.3 | -99.7 | 0 | 0 | 0 | 112.6 | F93 T94 Y95 D99 H100 L101 | F93-F97 PolarHBondContact O-N 2.96Å; T94-F97 PolarHBondContact O-N 3.48Å; Y95-F97 PolarHBondContact O-N 3.47Å; F97-D99 VanDerWaalsContact C-N 3.35Å; F97-D99 PolarHBondContact O-N 2.91Å; F97-H100 PolarHBondContact O-N 2.99Å; F97-L101 HydrophobicContact CE1-CD1 4.27Å |
| 98 | G | 57 | Low | 60 | Low | 44 Ų | 44 | 137.3 Ų | 137.3 | 45% | 0.454 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -69 | -26.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T94 H100 | T94-G98 PolarHBondContact O-N 2.9Å; G98-H100 PolarHBondContact O-N 3.48Å |
| 99 | D | 57.7 | Low | 59.7 | Low | 119 Ų | 119 | 137.7 Ų | 137.7 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -4.1 | 179.8 | -128.8 | 3 | 0 | 0 | 0 | 113.6 | Y95 F97 | Y95-D99 PolarHBondContact O-N 3.45Å; F97-D99 VanDerWaalsContact C-N 3.35Å; F97-D99 PolarHBondContact O-N 2.91Å |
| 100 | H | 52 | Low | 59.5 | Low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 5.7 | 176.4 | -142.3 | 52.4 | 0 | 0 | 0 | 114.6 | F97 G98 | F97-H100 PolarHBondContact O-N 2.99Å; G98-H100 PolarHBondContact O-N 3.48Å |
| 101 | L | 58.1 | Low | 59 | Low | 137 Ų | 137 | 142.3 Ų | 142.3 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -114.4 | 7 | 178.9 | -76.7 | 165.2 | 0 | 0 | 0 | 114.6 | F97 | F97-L101 HydrophobicContact CE1-CD1 4.27Š|
| 102 | L | 58.3 | Low | 58.5 | Low | 162 Ų | 162 | 146.3 Ų | 146.3 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -118.5 | 34.1 | 176.2 | -146.3 | 74 | 0 | 0 | 0 | 114.3 | ||
| 103 | R | 59 | Low | 57.7 | Low | 237 Ų | 237 | 150.1 Ų | 150.1 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -137.7 | 58.5 | 166.3 | -162.9 | 173.5 | -74.1 | -151 | -1 | 111.6 | ||
| 104 | K | 55.8 | Low | 56.8 | Low | 204 Ų | 204 | 150.3 Ų | 150.3 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -151.1 | 36.6 | 165.8 | -119.7 | -170.6 | -171 | -174.2 | 0 | 114.5 | ||
| 105 | R | 52.4 | Low | 56.2 | Low | 254 Ų | 254 | 157.5 Ų | 157.5 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | -140.7 | 110.3 | 153.5 | -74.1 | -160.8 | -76.8 | 161.6 | -4.4 | 107.8 | ||||
| 106 | G | 43.8 | Very low | 55.4 | Low | 153 Ų | 153 | 156 Ų | 156 | 100% | 1.577 | 82% | 0.821 | S | S | * | * | trans | 161.3 | 0 | -172 | 0 | 0 | 0 | 0 | 0 | 106.7 |
Retrieved 106 of 106 residues in 170.1 ms
(Link to these results)