| 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 | 41.9 | Very low | 47.2 | Very low | 237 Ų | 237 | 169.7 Ų | 169.7 | 100% | 1.167 | 87% | 0.874 | S | S | * | * | 0 | 83.4 | 0 | -63.4 | -143.1 | -97.2 | 0 | 0 | 106.5 | |||||
| 2 | Q | 41.2 | Very low | 47.3 | Very low | 185 Ų | 185 | 161.6 Ų | 161.6 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | 59 | 90.2 | 93.6 | -72.8 | -178.2 | 0.5 | 0 | 0 | 110.7 | |||||
| 3 | E | 45.1 | Very low | 47.3 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 84% | 0.837 | S | S | * | * | 82.8 | 99.3 | 82.6 | -168.2 | 175.2 | -150.6 | 0 | 0 | 112.1 | |||||
| 4 | A | 56.3 | Low | 47.2 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -161.2 | 101.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | R | 44.7 | Very low | 47.7 | Very low | 239 Ų | 239 | 153.9 Ų | 153.9 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -87.1 | 109.7 | -175.2 | -157.5 | 176 | -174.9 | 176.5 | 0.5 | 108.7 | K7 | R5-K7 PolarHBondContact O-N 3.47Š| ||
| 6 | A | 56.8 | Low | 48.3 | Very low | 98 Ų | 98 | 150.8 Ų | 150.8 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -75 | 120.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 7 | K | 52.4 | Low | 48.9 | Very low | 201 Ų | 201 | 152.4 Ų | 152.4 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -80.1 | 114.7 | 179.7 | -69.5 | 172.3 | 177.7 | 174.5 | 0 | 109 | R5 S9 | R5-K7 PolarHBondContact O-N 3.47Å; K7-S9 PolarHBondContact O-N 3.41Å | ||
| 8 | E | 48.4 | Very low | 50.4 | Low | 194 Ų | 194 | 153.8 Ų | 153.8 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | -63.9 | 121.3 | 161.7 | -77.9 | 175.5 | 143.5 | 0 | 0 | 109.1 | F10 | E8-F10 PolarHBondContact O-N 3.34Š| ||
| 9 | S | 44.6 | Very low | 51.7 | Low | 109 Ų | 109 | 151.7 Ų | 151.7 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | -74 | 106.7 | 170.3 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | K7 V11 | K7-S9 PolarHBondContact O-N 3.41Å; S9-V11 PolarHBondContact O-N 3.25Å | ||
| 10 | F | 40.1 | Very low | 53.2 | Low | 180 Ų | 180 | 148.6 Ų | 148.6 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | trans | -56.4 | 110.2 | 171.3 | -176 | -99.9 | 0 | 0 | 0 | 110.7 | E8 A12 | E8-F10 PolarHBondContact O-N 3.34Å; F10-A12 HydrophobicContact CE1-CB 4.45Å; F10-A12 PolarHBondContact O-N 3.22Å | ||
| 11 | V | 47.9 | Very low | 54.7 | Low | 134 Ų | 134 | 145.2 Ų | 145.2 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -80.2 | 112.3 | 166.5 | 175.2 | 0 | 0 | 0 | 0 | 106.9 | S9 | S9-V11 PolarHBondContact O-N 3.25Š| ||
| 12 | A | 48.1 | Very low | 56.8 | Low | 72 Ų | 72 | 140.3 Ų | 140.3 | 60% | 0.595 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F10 | F10-A12 HydrophobicContact CE1-CB 4.45Å; F10-A12 PolarHBondContact O-N 3.22Å |
| 13 | P | 46.8 | Very low | 59.1 | Low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 135.5 | 173.5 | 27.9 | -31.7 | 0 | 0 | 0 | 109.5 | E15 | P13-E15 PolarHBondContact O-N 3.36Š|
| 14 | A | 47 | Very low | 61 | Low | 101 Ų | 101 | 128.6 Ų | 128.6 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 15 | E | 54.3 | Low | 62.4 | Low | 164 Ų | 164 | 128.7 Ų | 128.7 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -51 | 129.1 | 176.9 | -74.1 | -75.2 | 150.6 | 0 | 0 | 111.3 | P13 H17 | P13-E15 PolarHBondContact O-N 3.36Å; E15-H17 PolarHBondContact O-N 3.36Å |
| 16 | P | 56.7 | Low | 64.6 | Low | 105 Ų | 105 | 126.7 Ų | 126.7 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -65 | 122.5 | 171 | 27.7 | -31.5 | 0 | 0 | 0 | 108.5 | Q18 | P16-Q18 PolarHBondContact O-N 3.18Š|
| 17 | H | 59.8 | Low | 66 | Low | 178 Ų | 178 | 129 Ų | 129 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | trans | -51.7 | 105.5 | 176.1 | 1.6 | -71.9 | 0 | 0 | 0 | 109 | E15 P19 | E15-H17 PolarHBondContact O-N 3.36Å; H17-P19 WeakPolarHBondContact O-CD 3.46Å | ||
| 18 | Q | 74.6 | Confident | 67.4 | Low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 118.3 | 179.2 | -149.1 | 164.4 | 14.2 | 0 | 0 | 107.6 | P16 L20 | P16-Q18 PolarHBondContact O-N 3.18Å; Q18-L20 PolarHBondContact O-N 2.76Å |
| 19 | P | 76.2 | Confident | 69.1 | Low | 113 Ų | 113 | 123.1 Ų | 123.1 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.5 | -179.8 | 24.3 | -31 | 0 | 0 | 0 | 108.7 | H17 T21 | H17-P19 WeakPolarHBondContact O-CD 3.46Å; P19-T21 PolarHBondContact O-N 3.48Å |
| 20 | L | 81.9 | Confident | 71 | Confident | 90 Ų | 90 | 121.7 Ų | 121.7 | 47% | 0.471 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -49.7 | 126.3 | 179.1 | -110.5 | 73.4 | 0 | 0 | 0 | 110.2 | Q18 D24 F25 L28 | Q18-L20 PolarHBondContact O-N 2.76Å; L20-D24 HydrophobicContact CB-CB 4.38Å; L20-D24 HydrophobicContact CD2-CB 4.08Å; L20-D24 HydrophobicContact CG-CB 3.75Å; L20-F25 HydrophobicContact CB-CD2 4.16Å; L20-F25 HydrophobicContact CB-CE2 3.55Å; L20-F25 HydrophobicContact CB-CZ 3.82Å; L20-F25 HydrophobicContact CD2-CD1 4.15Å; L20-F25 HydrophobicContact CD2-CD2 4.42Å; L20-F25 HydrophobicContact CD2-CE1 3.88Å; L20-F25 HydrophobicContact CD2-CE2 4.18Å; L20-F25 HydrophobicContact CD2-CG 4.41Å; L20-F25 HydrophobicContact CD2-CZ 3.9Å; L20-L28 HydrophobicContact CD2-CD1 4.28Å |
| 21 | T | 84.3 | Confident | 72.7 | Confident | 77 Ų | 77 | 117.4 Ų | 117.4 | 47% | 0.472 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 157.9 | 174.6 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | P19 A23 D24 F25 | P19-T21 PolarHBondContact O-N 3.48Å; T21-A23 PolarHBondContact O-N 2.89Å; T21-D24 PolarHBondContact N-OD2 2.97Å; T21-D24 WeakPolarHBondContact O-CB 3.47Å; T21-D24 PolarHBondContact O-N 3.12Å; T21-D24 PolarHBondContact OG1-N 2.98Å; T21-D24 PolarHBondContact OG1-OD2 3.07Å; T21-F25 WeakPolarHBondContact O-CD2 3.38Å; T21-F25 PolarHBondContact O-N 3.19Å |
| 22 | N | 86.2 | Confident | 73.7 | Confident | 135 Ų | 135 | 116.8 Ų | 116.8 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -55.6 | -22.8 | 172.6 | -79.1 | -8.6 | 0 | 0 | 0 | 112.8 | R26 | N22-R26 WeakPolarHBondContact O-CG 3.42Å; N22-R26 PolarHBondContact O-N 3.15Å; N22-R26 VanDerWaalsContact O-N 3.16Å |
| 23 | A | 88.1 | Confident | 74.2 | Confident | 60 Ų | 60 | 124.9 Ų | 124.9 | 50% | 0.496 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -70.8 | -36.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T21 R26 K27 | T21-A23 PolarHBondContact O-N 2.89Å; A23-R26 PolarHBondContact O-N 3.1Å; A23-K27 PolarHBondContact O-N 3.38Å |
| 24 | D | 86.5 | Confident | 75.1 | Confident | 65 Ų | 65 | 125.6 Ų | 125.6 | 35% | 0.348 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -71.2 | -38.5 | 176.4 | -63.7 | -44.6 | 0 | 0 | 0 | 111.7 | L20 T21 R26 K27 L28 | L20-D24 HydrophobicContact CB-CB 4.38Å; L20-D24 HydrophobicContact CD2-CB 4.08Å; L20-D24 HydrophobicContact CG-CB 3.75Å; T21-D24 PolarHBondContact N-OD2 2.97Å; T21-D24 WeakPolarHBondContact O-CB 3.47Å; T21-D24 PolarHBondContact O-N 3.12Å; T21-D24 PolarHBondContact OG1-N 2.98Å; T21-D24 PolarHBondContact OG1-OD2 3.07Å; D24-R26 VanDerWaalsContact C-N 3.32Å; D24-R26 PolarHBondContact O-N 3.07Å; D24-K27 WeakPolarHBondContact O-CB 3.42Å; D24-K27 PolarHBondContact O-N 2.62Å; D24-L28 PolarHBondContact O-N 3.24Å |
| 25 | F | 85.9 | Confident | 74.7 | Confident | 106 Ų | 106 | 126 Ų | 126 | 47% | 0.465 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -62.6 | -39.1 | 171.7 | -73.2 | -72 | 0 | 0 | 0 | 112.2 | L20 T21 K27 L28 L29 | L20-F25 HydrophobicContact CB-CD2 4.16Å; L20-F25 HydrophobicContact CB-CE2 3.55Å; L20-F25 HydrophobicContact CB-CZ 3.82Å; L20-F25 HydrophobicContact CD2-CD1 4.15Å; L20-F25 HydrophobicContact CD2-CD2 4.42Å; L20-F25 HydrophobicContact CD2-CE1 3.88Å; L20-F25 HydrophobicContact CD2-CE2 4.18Å; L20-F25 HydrophobicContact CD2-CG 4.41Å; L20-F25 HydrophobicContact CD2-CZ 3.9Å; T21-F25 WeakPolarHBondContact O-CD2 3.38Å; T21-F25 PolarHBondContact O-N 3.19Å; F25-K27 VanDerWaalsContact C-N 3.33Å; F25-K27 PolarHBondContact O-N 2.96Å; F25-L28 PolarHBondContact O-N 3.08Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.45Å |
| 26 | R | 90.4 | Very high | 74.3 | Confident | 197 Ų | 197 | 122.8 Ų | 122.8 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -63.1 | -39 | 173.1 | -78.2 | 177.2 | 166.9 | 170.3 | -2.5 | 112 | N22 A23 D24 A30 | N22-R26 WeakPolarHBondContact O-CG 3.42Å; N22-R26 PolarHBondContact O-N 3.15Å; N22-R26 VanDerWaalsContact O-N 3.16Å; A23-R26 PolarHBondContact O-N 3.1Å; D24-R26 VanDerWaalsContact C-N 3.32Å; D24-R26 PolarHBondContact O-N 3.07Å; R26-A30 VanDerWaalsContact O-CB 3.25Å; R26-A30 WeakPolarHBondContact O-CB 3.22Å; R26-A30 PolarHBondContact O-N 3.11Å |
| 27 | K | 85.7 | Confident | 73.7 | Confident | 147 Ų | 147 | 122.7 Ų | 122.7 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -63.8 | -43.9 | 173 | -84.3 | 179.8 | 175.8 | 175.5 | 0 | 112.1 | A23 D24 F25 L29 A30 T31 | A23-K27 PolarHBondContact O-N 3.38Å; D24-K27 WeakPolarHBondContact O-CB 3.42Å; D24-K27 PolarHBondContact O-N 2.62Å; F25-K27 VanDerWaalsContact C-N 3.33Å; F25-K27 PolarHBondContact O-N 2.96Å; K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.42Å; K27-A30 PolarHBondContact O-N 2.97Å; K27-A30 VanDerWaalsContact O-N 3.14Å; K27-T31 WeakPolarHBondContact O-CG2 3.31Å; K27-T31 PolarHBondContact O-N 2.97Å; K27-T31 PolarHBondContact O-OG1 3.04Å |
| 28 | L | 81 | Confident | 72.7 | Confident | 115 Ų | 115 | 119.5 Ų | 119.5 | 60% | 0.602 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -64.6 | -34.1 | -179.5 | -127 | 161.3 | 0 | 0 | 0 | 112.5 | L20 D24 F25 T31 | L20-L28 HydrophobicContact CD2-CD1 4.28Å; D24-L28 PolarHBondContact O-N 3.24Å; F25-L28 PolarHBondContact O-N 3.08Å; L28-T31 PolarHBondContact O-OG1 3.3Å |
| 29 | L | 84.2 | Confident | 71.1 | Confident | 155 Ų | 155 | 115.3 Ų | 115.3 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.7 | -26.9 | 173.7 | -69.4 | 173.9 | 0 | 0 | 0 | 113.2 | F25 K27 | F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.45Å; K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.42Å |
| 30 | A | 85.1 | Confident | 69.5 | Low | 80 Ų | 80 | 114.7 Ų | 114.7 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.6 | -20.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R26 K27 P32 | R26-A30 VanDerWaalsContact O-CB 3.25Å; R26-A30 WeakPolarHBondContact O-CB 3.22Å; R26-A30 PolarHBondContact O-N 3.11Å; K27-A30 PolarHBondContact O-N 2.97Å; K27-A30 VanDerWaalsContact O-N 3.14Å; A30-P32 WeakPolarHBondContact O-CD 3.45Å |
| 31 | T | 76.6 | Confident | 67.6 | Low | 90 Ų | 90 | 119.7 Ų | 119.7 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -77.7 | 117.5 | 176.9 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | K27 L28 R33 | K27-T31 WeakPolarHBondContact O-CG2 3.31Å; K27-T31 PolarHBondContact O-N 2.97Å; K27-T31 PolarHBondContact O-OG1 3.04Å; L28-T31 PolarHBondContact O-OG1 3.3Å; T31-R33 PolarHBondContact O-N 2.71Å |
| 32 | P | 68.6 | Low | 65.6 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126 | 175.3 | 25.9 | -31.9 | 0 | 0 | 0 | 110.1 | A30 | A30-P32 WeakPolarHBondContact O-CD 3.45Š|
| 33 | R | 59.3 | Low | 63.4 | Low | 242 Ų | 242 | 124.5 Ų | 124.5 | 91% | 0.913 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 125.5 | 178.2 | -165.8 | 177.3 | -176.2 | -157.5 | 0.9 | 109.9 | T31 | T31-R33 PolarHBondContact O-N 2.71Š|
| 34 | P | 64.5 | Low | 61.3 | Low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 133.6 | 175.4 | 27.8 | -32 | 0 | 0 | 0 | 110.7 | ||
| 35 | A | 39.4 | Very low | 59.2 | Low | 109 Ų | 109 | 131.7 Ų | 131.7 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 120.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 36 | A | 44.7 | Very low | 57.2 | Low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -116.9 | 113.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 37 | S | 43.7 | Very low | 55 | Low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -6.5 | 133.1 | 154.9 | 57.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 38 | S | 40.7 | Very low | 52.9 | Low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 60.7 | 117.7 | 130.9 | 66.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 39 | A | 40.8 | Very low | 51.2 | Low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | 165.6 | 117.6 | 104.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 40 | S | 41.3 | Very low | 49.3 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 32 | 120.2 | 146 | 59.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 41 | H | 43.2 | Very low | 47.3 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | -162.1 | 133.8 | 112.3 | -96.7 | -46.8 | 0 | 0 | 0 | 111.7 | |||||
| 42 | Q | 41.9 | Very low | 45.6 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -94.1 | 150 | -177.5 | -60.7 | 172.3 | 10.1 | 0 | 0 | 110.6 | ||||
| 43 | T | 40.6 | Very low | 44.3 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | -178.2 | 108.9 | 125.2 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 44 | V | 42.3 | Very low | 43.5 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | 16.1 | 130.3 | 144.1 | -59.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 45 | T | 43.2 | Very low | 42.6 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | -163.5 | 135.4 | 108.4 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 46 | S | 44 | Very low | 42.7 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -49.1 | 165.2 | 170.8 | -94.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 47 | S | 43.6 | Very low | 42.5 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | cis | -177.5 | 147.8 | 0.8 | 46 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 48 | R | 42.2 | Very low | 42.5 | Very low | 251 Ų | 251 | 143.6 Ų | 143.6 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | trans | 177.5 | 116.6 | 131.2 | -154.7 | 154.7 | 176.5 | 165.1 | -3.7 | 110.8 | ||||
| 49 | S | 44.4 | Very low | 42.6 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 83% | 0.832 | S | S | * | * | trans | -83.5 | 157.2 | 178.3 | 78.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 50 | H | 46 | Very low | 43.1 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | -163.9 | 118.4 | 115.1 | -89.7 | -17.9 | 0 | 0 | 0 | 112.7 | |||||
| 51 | R | 42.6 | Very low | 43.6 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 89% | 0.894 | 84% | 0.841 | S | S | * | * | trans | 44.5 | 132.5 | 137.7 | -62.9 | 178.9 | 171.9 | -175.4 | -2.6 | 119 | ||||
| 52 | G | 41 | Very low | 43.7 | Very low | 84 Ų | 84 | 153.2 Ų | 153.2 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | cis | 132.2 | 130.7 | 12.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 53 | G | 40.7 | Very low | 44 | Very low | 87 Ų | 87 | 154.8 Ų | 154.8 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | trans | 152 | 83.4 | 167 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 54 | Q | 43.8 | Very low | 44.2 | Very low | 184 Ų | 184 | 158.8 Ų | 158.8 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | trans | -123.2 | 130.8 | 165.6 | -100.7 | 179.8 | 30.3 | 0 | 0 | 108 | ||||
| 55 | F | 44.2 | Very low | 44.6 | Very low | 231 Ų | 231 | 160.7 Ų | 160.7 | 100% | 1.013 | 85% | 0.848 | S | S | * | * | trans | -170.9 | 140.6 | 153.1 | -83.9 | -72.4 | 0 | 0 | 0 | 105.8 | ||||
| 56 | G | 42.5 | Very low | 44.7 | Very low | 75 Ų | 75 | 160.9 Ų | 160.9 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | cis | 174.2 | 130.7 | -0.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 57 | K | 40.3 | Very low | 44.7 | Very low | 225 Ų | 225 | 164.5 Ų | 164.5 | 98% | 0.978 | 84% | 0.84 | S | S | * | * | trans | -81.6 | 126.1 | 177.7 | -83.2 | -179.9 | 172.2 | 177.8 | 0 | 109.9 | ||||
| 58 | G | 44.5 | Very low | 45 | Very low | 80 Ų | 80 | 169.3 Ų | 169.3 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -123.4 | 134.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 59 | H | 42.7 | Very low | 45.3 | Very low | 172 Ų | 172 | 161.6 Ų | 161.6 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | -104.2 | 123.6 | -164.7 | -151.6 | -67.7 | 0 | 0 | 0 | 108.7 | ||||
| 60 | D | 50.9 | Low | 45.6 | Very low | 167 Ų | 167 | 163.7 Ų | 163.7 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -139.1 | 141.8 | 166.7 | -95.4 | -42.3 | 0 | 0 | 0 | 113.4 | ||||
| 61 | K | 50.8 | Low | 46.2 | Very low | 170 Ų | 170 | 160.3 Ų | 160.3 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | trans | -91.7 | 142.5 | -155.3 | -69.5 | 163.2 | 178.7 | 164.3 | 0 | 112.2 | ||||
| 62 | K | 45.5 | Very low | 46.9 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 48 | 115 | 137.4 | -60.9 | 175.3 | -179.3 | -179.8 | 0 | 117.7 | ||||
| 63 | K | 47.6 | Very low | 47.9 | Very low | 212 Ų | 212 | 157.5 Ų | 157.5 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | -147 | 126.1 | 121.5 | -68.6 | -162.6 | -178 | 174.2 | 0 | 109.4 | |||||
| 64 | K | 46.2 | Very low | 49.2 | Very low | 218 Ų | 218 | 158.9 Ų | 158.9 | 95% | 0.948 | 77% | 0.769 | S | S | * | * | trans | -73.4 | 128.8 | 175.7 | -64.8 | 177 | 175.2 | -177.3 | 0 | 108.6 | ||||
| 65 | H | 49.8 | Very low | 50.9 | Low | 172 Ų | 172 | 154.7 Ų | 154.7 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -113.4 | 131.9 | 157.4 | -176.9 | -84.6 | 0 | 0 | 0 | 108.1 | ||||
| 66 | N | 45.3 | Very low | 52.5 | Low | 147 Ų | 147 | 149.3 Ų | 149.3 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | -79.7 | 115.3 | -170.5 | -157.1 | 32 | 0 | 0 | 0 | 108.9 | ||||
| 67 | Y | 43.5 | Very low | 54.1 | Low | 194 Ų | 194 | 151.4 Ų | 151.4 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | trans | -154.3 | 112 | 157.9 | -140.1 | -100.1 | 0 | 0 | 0 | 111.3 | ||||
| 68 | R | 50.2 | Low | 56 | Low | 208 Ų | 208 | 145 Ų | 145 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | 41.5 | 144.5 | 160 | -77.4 | -177.3 | 167.2 | -162.5 | -3.7 | 120.9 | F70 | R68-F70 PolarHBondContact O-N 2.99Š| ||
| 69 | P | 49.2 | Very low | 57.8 | Low | 89 Ų | 89 | 146 Ų | 146 | 58% | 0.578 | 68% | 0.683 | S | S | * | * | trans | -74.3 | 125.2 | -161.9 | 8.7 | 6.5 | 0 | 0 | 0 | 110.9 | V71 | P69-V71 HydrophobicContact CB-CB 4.49Å; P69-V71 HydrophobicContact CB-CG2 4.11Å; P69-V71 PolarHBondContact O-N 2.9Å | ||
| 70 | F | 50.6 | Low | 59.6 | Low | 131 Ų | 131 | 142.5 Ų | 142.5 | 58% | 0.575 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 13.4 | 170 | -170.3 | -103.8 | 0 | 0 | 0 | 114.4 | R68 E73 K74 | R68-F70 PolarHBondContact O-N 2.99Å; F70-E73 HydrophobicContact CD2-CB 4.35Å; F70-E73 WeakPolarHBondContact CD2-OE2 3.46Å; F70-E73 HydrophobicContact CE2-CB 4.47Å; F70-E73 VanDerWaalsContact CE2-OE2 3.27Å; F70-E73 WeakPolarHBondContact CE2-OE2 3.13Å; F70-K74 HydrophobicContact CD1-CD 4.28Å; F70-K74 HydrophobicContact CD1-CG 4.07Å; F70-K74 HydrophobicContact CE1-CD 4.27Å; F70-K74 HydrophobicContact CE1-CG 3.86Å |
| 71 | V | 59 | Low | 61 | Low | 92 Ų | 92 | 140.5 Ų | 140.5 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -82.5 | -41.8 | -175.6 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | P69 E73 K74 D75 | P69-V71 HydrophobicContact CB-CB 4.49Å; P69-V71 HydrophobicContact CB-CG2 4.11Å; P69-V71 PolarHBondContact O-N 2.9Å; V71-E73 PolarHBondContact O-N 3.18Å; V71-K74 PolarHBondContact O-N 3.37Å; V71-K74 VanDerWaalsContact O-N 3.16Å; V71-D75 PolarHBondContact O-N 2.75Å |
| 72 | E | 57 | Low | 62.3 | Low | 143 Ų | 143 | 138.6 Ų | 138.6 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.5 | -36.4 | 177 | -71.1 | 171.2 | 178 | 0 | 0 | 111.4 | K74 D75 E76 | E72-K74 VanDerWaalsContact C-N 3.26Å; E72-K74 PolarHBondContact O-N 3.01Å; E72-D75 PolarHBondContact O-N 3.35Å; E72-E76 WeakPolarHBondContact O-CG 3.18Å; E72-E76 PolarHBondContact O-N 3.26Å |
| 73 | E | 60.9 | Low | 64.1 | Low | 119 Ų | 119 | 138.7 Ų | 138.7 | 56% | 0.556 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64 | -29.2 | 173.8 | -100.5 | -177.9 | 172.3 | 0 | 0 | 112.7 | F70 V71 L77 | F70-E73 HydrophobicContact CD2-CB 4.35Å; F70-E73 WeakPolarHBondContact CD2-OE2 3.46Å; F70-E73 HydrophobicContact CE2-CB 4.47Å; F70-E73 VanDerWaalsContact CE2-OE2 3.27Å; F70-E73 WeakPolarHBondContact CE2-OE2 3.13Å; V71-E73 PolarHBondContact O-N 3.18Å; E73-L77 WeakPolarHBondContact O-CB 3.29Å; E73-L77 PolarHBondContact O-N 3.01Å |
| 74 | K | 69.9 | Low | 65.6 | Low | 116 Ų | 116 | 137.1 Ų | 137.1 | 50% | 0.504 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -73.1 | -37.8 | 175.4 | -81.5 | -177.5 | 177.4 | 176.8 | 0 | 112 | F70 V71 E72 L77 L78 | F70-K74 HydrophobicContact CD1-CD 4.28Å; F70-K74 HydrophobicContact CD1-CG 4.07Å; F70-K74 HydrophobicContact CE1-CD 4.27Å; F70-K74 HydrophobicContact CE1-CG 3.86Å; V71-K74 PolarHBondContact O-N 3.37Å; V71-K74 VanDerWaalsContact O-N 3.16Å; E72-K74 VanDerWaalsContact C-N 3.26Å; E72-K74 PolarHBondContact O-N 3.01Å; K74-L77 PolarHBondContact O-N 3.37Å; K74-L78 VanDerWaalsContact O-CB 3.26Å; K74-L78 WeakPolarHBondContact O-CB 3.28Å; K74-L78 WeakPolarHBondContact O-CD1 3.49Å; K74-L78 WeakPolarHBondContact O-CG 3.29Å; K74-L78 PolarHBondContact O-N 2.96Å |
| 75 | D | 77.8 | Confident | 67.3 | Low | 97 Ų | 97 | 135.2 Ų | 135.2 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71 | -39.9 | 177.9 | -66.6 | -20.5 | 0 | 0 | 0 | 110.1 | V71 E72 L78 E79 | V71-D75 PolarHBondContact O-N 2.75Å; E72-D75 PolarHBondContact O-N 3.35Å; D75-L78 PolarHBondContact O-N 2.96Å; D75-E79 VanDerWaalsContact O-CB 3.28Å; D75-E79 WeakPolarHBondContact O-CB 3.35Å; D75-E79 PolarHBondContact O-N 3.41Å |
| 76 | E | 78.2 | Confident | 68.6 | Low | 118 Ų | 118 | 130.7 Ų | 130.7 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63 | -42 | 170 | -72.4 | 179.4 | -178.5 | 0 | 0 | 111.7 | E72 E79 I80 | E72-E76 WeakPolarHBondContact O-CG 3.18Å; E72-E76 PolarHBondContact O-N 3.26Å; E76-E79 PolarHBondContact O-N 3.3Å; E76-I80 WeakPolarHBondContact O-CB 3.27Å; E76-I80 WeakPolarHBondContact O-CD1 3.37Å; E76-I80 WeakPolarHBondContact O-CG1 3.28Å; E76-I80 PolarHBondContact O-N 2.91Å |
| 77 | L | 75.8 | Confident | 70.4 | Confident | 119 Ų | 119 | 131.7 Ų | 131.7 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.9 | -35.2 | 178.1 | -155.6 | 76.3 | 0 | 0 | 0 | 112.1 | E73 K74 L81 | E73-L77 WeakPolarHBondContact O-CB 3.29Å; E73-L77 PolarHBondContact O-N 3.01Å; K74-L77 PolarHBondContact O-N 3.37Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 PolarHBondContact O-N 3.26Å |
| 78 | L | 81.8 | Confident | 72 | Confident | 91 Ų | 91 | 124.7 Ų | 124.7 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -40 | 170.9 | -86.4 | 156.9 | 0 | 0 | 0 | 110.9 | K74 D75 L81 N82 | K74-L78 VanDerWaalsContact O-CB 3.26Å; K74-L78 WeakPolarHBondContact O-CB 3.28Å; K74-L78 WeakPolarHBondContact O-CD1 3.49Å; K74-L78 WeakPolarHBondContact O-CG 3.29Å; K74-L78 PolarHBondContact O-N 2.96Å; D75-L78 PolarHBondContact O-N 2.96Å; L78-L81 PolarHBondContact O-N 3Å; L78-N82 VanDerWaalsContact O-CB 3.26Å; L78-N82 WeakPolarHBondContact O-CB 3.48Å; L78-N82 PolarHBondContact O-N 2.65Å; L78-N82 PolarHBondContact O-ND2 3.37Å |
| 79 | E | 82 | Confident | 73.5 | Confident | 101 Ų | 101 | 119.6 Ų | 119.6 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.6 | -37.6 | 176.6 | -163.6 | 170.5 | 171.9 | 0 | 0 | 111.5 | D75 E76 R83 | D75-E79 VanDerWaalsContact O-CB 3.28Å; D75-E79 WeakPolarHBondContact O-CB 3.35Å; D75-E79 PolarHBondContact O-N 3.41Å; E76-E79 PolarHBondContact O-N 3.3Å; E79-R83 WeakPolarHBondContact O-CB 3.16Å; E79-R83 WeakPolarHBondContact O-CG 3.19Å; E79-R83 PolarHBondContact O-N 2.94Å; E79-R83 IonicContact OE1-CZ 2.75Å; E79-R83 IonicContact OE1-NE 3.94Å; E79-R83 IonicContact OE1-NH2 3.97Å; E79-R83 PolarHBondContact OE1-NH2 2.72Å |
| 80 | I | 79.8 | Confident | 74.9 | Confident | 98 Ų | 98 | 118.6 Ų | 118.6 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.4 | -42.4 | 170.8 | -67.3 | 162.7 | 0 | 0 | 0 | 110.6 | E76 N82 R83 Y84 | E76-I80 WeakPolarHBondContact O-CB 3.27Å; E76-I80 WeakPolarHBondContact O-CD1 3.37Å; E76-I80 WeakPolarHBondContact O-CG1 3.28Å; E76-I80 PolarHBondContact O-N 2.91Å; I80-N82 VanDerWaalsContact C-N 3.34Å; I80-N82 PolarHBondContact O-N 2.91Å; I80-R83 CarbonylContact O-C 3.55Å; I80-R83 PolarHBondContact O-N 3.49Å; I80-Y84 WeakPolarHBondContact O-CB 3.34Å; I80-Y84 PolarHBondContact O-N 3.35Å |
| 81 | L | 79.4 | Confident | 76.3 | Confident | 124 Ų | 124 | 120.4 Ų | 120.4 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.8 | -35.8 | 178.5 | -162.2 | 75.2 | 0 | 0 | 0 | 111.8 | L77 L78 Y84 | L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 PolarHBondContact O-N 3.26Å; L78-L81 PolarHBondContact O-N 3Å; L81-Y84 PolarHBondContact O-N 2.91Å |
| 82 | N | 78.6 | Confident | 77.2 | Confident | 131 Ų | 131 | 124.6 Ų | 124.6 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.3 | -32 | 174.8 | -72.5 | -23.6 | 0 | 0 | 0 | 112.2 | L78 I80 | L78-N82 VanDerWaalsContact O-CB 3.26Å; L78-N82 WeakPolarHBondContact O-CB 3.48Å; L78-N82 PolarHBondContact O-N 2.65Å; L78-N82 PolarHBondContact O-ND2 3.37Å; I80-N82 VanDerWaalsContact C-N 3.34Å; I80-N82 PolarHBondContact O-N 2.91Å |
| 83 | R | 82.8 | Confident | 78.1 | Confident | 193 Ų | 193 | 122.3 Ų | 122.3 | 73% | 0.728 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -80.3 | -16.4 | 171.8 | -70.3 | -177.7 | -159.7 | -148.7 | 8.2 | 113.1 | E79 I80 R85 | E79-R83 WeakPolarHBondContact O-CB 3.16Å; E79-R83 WeakPolarHBondContact O-CG 3.19Å; E79-R83 PolarHBondContact O-N 2.94Å; E79-R83 IonicContact OE1-CZ 2.75Å; E79-R83 IonicContact OE1-NE 3.94Å; E79-R83 IonicContact OE1-NH2 3.97Å; E79-R83 PolarHBondContact OE1-NH2 2.72Å; I80-R83 CarbonylContact O-C 3.55Å; I80-R83 PolarHBondContact O-N 3.49Å; R83-R85 PolarHBondContact O-N 2.89Å; R83-R85 VanDerWaalsContact O-N 3.12Å |
| 84 | Y | 80 | Confident | 78.4 | Confident | 178 Ų | 178 | 118 Ų | 118 | 70% | 0.698 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -74.8 | 103.3 | 178.3 | -144.2 | -89.2 | 0 | 0 | 0 | 110 | I80 L81 D86 | I80-Y84 WeakPolarHBondContact O-CB 3.34Å; I80-Y84 PolarHBondContact O-N 3.35Å; L81-Y84 PolarHBondContact O-N 2.91Å; Y84-D86 PolarHBondContact O-N 3.47Å |
| 85 | R | 81.2 | Confident | 78 | Confident | 178 Ų | 178 | 119.3 Ų | 119.3 | 67% | 0.672 | 55% | 0.548 | S | S | * | . | trans | -68.5 | 96.5 | 173.5 | -170.6 | 175.9 | 170.5 | 129.5 | 12 | 109.1 | R83 R87 E90 | R83-R85 PolarHBondContact O-N 2.89Å; R83-R85 VanDerWaalsContact O-N 3.12Å; R85-R87 VanDerWaalsContact C-N 3.3Å; R85-R87 PolarHBondContact O-N 3.48Å; R85-E90 WeakPolarHBondContact CD-OE1 3.39Å; R85-E90 WeakPolarHBondContact CG-OE1 3.36Å; R85-E90 IonicContact CZ-OE1 2.81Å; R85-E90 IonicContact CZ-OE2 2.75Å; R85-E90 VanDerWaalsContact CZ-OE2 3.22Å; R85-E90 IonicContact NE-OE1 3.68Å; R85-E90 PolarHBondContact NE-OE1 2.91Å; R85-E90 IonicContact NE-OE2 3.03Å; R85-E90 PolarHBondContact NE-OE2 3.39Å; R85-E90 IonicContact NH1-OE1 2.96Å; R85-E90 VanDerWaalsContact NH2-CD 3.27Å; R85-E90 IonicContact NH2-OE1 3.78Å; R85-E90 PolarHBondContact NH2-OE1 3.12Å; R85-E90 IonicContact NH2-OE2 3.05Å; R85-E90 PolarHBondContact NH2-OE2 2.95Å | ||
| 86 | D | 77.5 | Confident | 77.1 | Confident | 77 Ų | 77 | 119.5 Ų | 119.5 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | trans | -70.2 | 87.6 | 178.5 | -173.7 | -9.1 | 0 | 0 | 0 | 109.9 | Y84 A88 K89 E90 | Y84-D86 PolarHBondContact O-N 3.47Å; D86-A88 PolarHBondContact O-N 3.4Å; D86-A88 VanDerWaalsContact O-N 3.11Å; D86-A88 WeakPolarHBondContact OD1-CB 3.45Å; D86-A88 PolarHBondContact OD1-N 2.92Å; D86-A88 VanDerWaalsContact OD1-N 3.09Å; D86-K89 HydrophobicContact CB-CB 3.71Å; D86-K89 VanDerWaalsContact CG-CB 3.44Å; D86-K89 CarbonylContact O-C 3.5Å; D86-K89 WeakPolarHBondContact O-CA 3.41Å; D86-K89 WeakPolarHBondContact O-CB 3.36Å; D86-K89 PolarHBondContact O-N 3.47Å; D86-K89 PolarHBondContact OD1-N 2.97Å; D86-K89 WeakPolarHBondContact OD2-CB 3.44Å; D86-E90 PolarHBondContact O-N 3.27Å | ||
| 87 | R | 84 | Confident | 76.4 | Confident | 169 Ų | 169 | 120.1 Ų | 120.1 | 64% | 0.638 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.4 | -19.1 | -179.4 | -160.5 | -179.7 | -91.7 | -167.9 | -6.9 | 112.3 | R85 R91 | R85-R87 VanDerWaalsContact C-N 3.3Å; R85-R87 PolarHBondContact O-N 3.48Å; R87-R91 WeakPolarHBondContact O-CG 3.39Å; R87-R91 PolarHBondContact O-N 3.45Å; R87-R91 PolarHBondContact O-NH1 3.39Å |
| 88 | A | 77.5 | Confident | 75.6 | Confident | 46 Ų | 46 | 121 Ų | 121 | 38% | 0.38 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -83.1 | -32.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D86 R92 | D86-A88 PolarHBondContact O-N 3.4Å; D86-A88 VanDerWaalsContact O-N 3.11Å; D86-A88 WeakPolarHBondContact OD1-CB 3.45Å; D86-A88 PolarHBondContact OD1-N 2.92Å; D86-A88 VanDerWaalsContact OD1-N 3.09Å; A88-R92 PolarHBondContact O-N 2.76Å; A88-R92 PolarHBondContact O-NE 2.96Å |
| 89 | K | 81.7 | Confident | 74.7 | Confident | 101 Ų | 101 | 119.7 Ų | 119.7 | 44% | 0.439 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | 166.5 | -174.6 | 177.1 | 174.2 | -173.8 | 0 | 111 | D86 R91 R92 E93 | D86-K89 HydrophobicContact CB-CB 3.71Å; D86-K89 VanDerWaalsContact CG-CB 3.44Å; D86-K89 CarbonylContact O-C 3.5Å; D86-K89 WeakPolarHBondContact O-CA 3.41Å; D86-K89 WeakPolarHBondContact O-CB 3.36Å; D86-K89 PolarHBondContact O-N 3.47Å; D86-K89 PolarHBondContact OD1-N 2.97Å; D86-K89 WeakPolarHBondContact OD2-CB 3.44Å; K89-R91 VanDerWaalsContact C-N 3.34Å; K89-R91 PolarHBondContact O-N 3.17Å; K89-R92 CarbonylContact O-C 3.52Å; K89-R92 PolarHBondContact O-N 3.13Å; K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 VanDerWaalsContact CE-OE2 3.26Å; K89-E93 WeakPolarHBondContact CE-OE2 3.29Å; K89-E93 HydrophobicContact CG-CG 3.95Å; K89-E93 IonicContact NZ-OE1 2.85Å; K89-E93 WeakPolarHBondContact O-CB 3.25Å; K89-E93 PolarHBondContact O-N 3.34Å |
| 90 | E | 76.7 | Confident | 73.9 | Confident | 69 Ų | 69 | 120 Ų | 120 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -31.6 | 176.5 | -70.6 | -172.9 | 162.3 | 0 | 0 | 113.8 | R85 D86 G94 | R85-E90 WeakPolarHBondContact CD-OE1 3.39Å; R85-E90 WeakPolarHBondContact CG-OE1 3.36Å; R85-E90 IonicContact CZ-OE1 2.81Å; R85-E90 IonicContact CZ-OE2 2.75Å; R85-E90 VanDerWaalsContact CZ-OE2 3.22Å; R85-E90 IonicContact NE-OE1 3.68Å; R85-E90 PolarHBondContact NE-OE1 2.91Å; R85-E90 IonicContact NE-OE2 3.03Å; R85-E90 PolarHBondContact NE-OE2 3.39Å; R85-E90 IonicContact NH1-OE1 2.96Å; R85-E90 VanDerWaalsContact NH2-CD 3.27Å; R85-E90 IonicContact NH2-OE1 3.78Å; R85-E90 PolarHBondContact NH2-OE1 3.12Å; R85-E90 IonicContact NH2-OE2 3.05Å; R85-E90 PolarHBondContact NH2-OE2 2.95Å; D86-E90 PolarHBondContact O-N 3.27Å; E90-G94 VanDerWaalsContact O-CA 3.25Å; E90-G94 WeakPolarHBondContact O-CA 3.37Å; E90-G94 PolarHBondContact O-N 3.44Å |
| 91 | R | 80.2 | Confident | 73.1 | Confident | 168 Ų | 168 | 121.4 Ų | 121.4 | 63% | 0.634 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69.6 | -34 | 170.7 | -73.2 | -175.2 | -160.1 | 103.6 | -10.3 | 112.3 | R87 K89 | R87-R91 WeakPolarHBondContact O-CG 3.39Å; R87-R91 PolarHBondContact O-N 3.45Å; R87-R91 PolarHBondContact O-NH1 3.39Å; K89-R91 VanDerWaalsContact C-N 3.34Å; K89-R91 PolarHBondContact O-N 3.17Å |
| 92 | R | 78.1 | Confident | 72.3 | Confident | 180 Ų | 180 | 121.6 Ų | 121.6 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -77.2 | -40.5 | 176.2 | -82.6 | -175.8 | -78.9 | -176.6 | -3.2 | 112.9 | A88 K89 | A88-R92 PolarHBondContact O-N 2.76Å; A88-R92 PolarHBondContact O-NE 2.96Å; K89-R92 CarbonylContact O-C 3.52Å; K89-R92 PolarHBondContact O-N 3.13Å |
| 93 | E | 77 | Confident | 71.7 | Confident | 95 Ų | 95 | 119.8 Ų | 119.8 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -83.8 | -27.6 | -179.6 | -72 | -171.9 | 164.7 | 0 | 0 | 112 | K89 L96 K97 | K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 VanDerWaalsContact CE-OE2 3.26Å; K89-E93 WeakPolarHBondContact CE-OE2 3.29Å; K89-E93 HydrophobicContact CG-CG 3.95Å; K89-E93 IonicContact NZ-OE1 2.85Å; K89-E93 WeakPolarHBondContact O-CB 3.25Å; K89-E93 PolarHBondContact O-N 3.34Å; E93-L96 CarbonylContact O-C 3.54Å; E93-L96 PolarHBondContact O-N 3.27Å; E93-L96 VanDerWaalsContact O-N 3.15Å; E93-K97 WeakPolarHBondContact O-CB 3.4Å; E93-K97 PolarHBondContact O-N 2.73Å |
| 94 | G | 66.5 | Low | 71.1 | Confident | 28 Ų | 28 | 115.2 Ų | 115.2 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E90 L96 K97 E98 | E90-G94 VanDerWaalsContact O-CA 3.25Å; E90-G94 WeakPolarHBondContact O-CA 3.37Å; E90-G94 PolarHBondContact O-N 3.44Å; G94-L96 PolarHBondContact O-N 3.01Å; G94-K97 PolarHBondContact O-N 3.02Å; G94-E98 WeakPolarHBondContact O-CG 3.43Å; G94-E98 PolarHBondContact O-N 3.16Å |
| 95 | E | 60.9 | Low | 70.5 | Confident | 145 Ų | 145 | 109.2 Ų | 109.2 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -30.2 | 173.6 | -143.3 | 171.9 | -160.9 | 0 | 0 | 111.6 | N99 | E95-N99 VanDerWaalsContact O-CG 3.26Å; E95-N99 PolarHBondContact O-N 3.48Å; E95-N99 PolarHBondContact O-ND2 3.39Å |
| 96 | L | 60.2 | Low | 69.7 | Low | 101 Ų | 101 | 106 Ų | 106 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -79.2 | -34.1 | 176.7 | -147.7 | 109.9 | 0 | 0 | 0 | 113 | E93 G94 N99 E100 | E93-L96 CarbonylContact O-C 3.54Å; E93-L96 PolarHBondContact O-N 3.27Å; E93-L96 VanDerWaalsContact O-N 3.15Å; G94-L96 PolarHBondContact O-N 3.01Å; L96-N99 PolarHBondContact O-N 3.41Å; L96-E100 WeakPolarHBondContact O-CG 3.33Å; L96-E100 PolarHBondContact O-N 2.87Å |
| 97 | K | 63.2 | Low | 69.1 | Low | 131 Ų | 131 | 105.4 Ų | 105.4 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -76.5 | -38.5 | -179.2 | -125.6 | 173.2 | -178.5 | 177.9 | 0 | 111.5 | E93 G94 N99 E100 E101 | E93-K97 WeakPolarHBondContact O-CB 3.4Å; E93-K97 PolarHBondContact O-N 2.73Å; G94-K97 PolarHBondContact O-N 3.02Å; K97-N99 VanDerWaalsContact C-N 3.26Å; K97-N99 PolarHBondContact O-N 3.45Å; K97-E100 PolarHBondContact O-N 3.4Å; K97-E101 WeakPolarHBondContact O-CB 3.36Å; K97-E101 WeakPolarHBondContact O-CG 3.29Å; K97-E101 PolarHBondContact O-N 2.89Å |
| 98 | E | 58.9 | Low | 68.1 | Low | 136 Ų | 136 | 103.3 Ų | 103.3 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -40.4 | 171.1 | -72.1 | 176.9 | -178.3 | 0 | 0 | 110.2 | G94 E101 E102 | G94-E98 WeakPolarHBondContact O-CG 3.43Å; G94-E98 PolarHBondContact O-N 3.16Å; E98-E101 PolarHBondContact O-N 3.01Å; E98-E102 WeakPolarHBondContact O-CB 3.21Å; E98-E102 PolarHBondContact O-N 2.98Å |
| 99 | N | 63.2 | Low | 67.3 | Low | 65 Ų | 65 | 106 Ų | 106 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 173.7 | -74.1 | -2.4 | 0 | 0 | 0 | 113.2 | E95 L96 K97 E102 I103 | E95-N99 VanDerWaalsContact O-CG 3.26Å; E95-N99 PolarHBondContact O-N 3.48Å; E95-N99 PolarHBondContact O-ND2 3.39Å; L96-N99 PolarHBondContact O-N 3.41Å; K97-N99 VanDerWaalsContact C-N 3.26Å; K97-N99 PolarHBondContact O-N 3.45Å; N99-E102 PolarHBondContact O-N 3.26Å; N99-I103 WeakPolarHBondContact O-CB 3.17Å; N99-I103 WeakPolarHBondContact O-CD1 3.38Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 2.61Å |
| 100 | E | 64.6 | Low | 66.2 | Low | 107 Ų | 107 | 107.7 Ų | 107.7 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | 176.1 | -79.7 | -173 | 170.1 | 0 | 0 | 112.4 | L96 K97 I103 N104 | L96-E100 WeakPolarHBondContact O-CG 3.33Å; L96-E100 PolarHBondContact O-N 2.87Å; K97-E100 PolarHBondContact O-N 3.4Å; E100-I103 PolarHBondContact O-N 3.46Å; E100-N104 VanDerWaalsContact O-CB 3.29Å; E100-N104 WeakPolarHBondContact O-CB 3.39Å; E100-N104 VanDerWaalsContact O-CG 3.23Å; E100-N104 PolarHBondContact O-N 2.88Å; E100-N104 PolarHBondContact O-ND2 2.73Å; E100-N104 VanDerWaalsContact O-ND2 3.08Å |
| 101 | E | 64.1 | Low | 65.1 | Low | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.1 | -38.6 | 175.3 | -74 | 178.2 | -169.7 | 0 | 0 | 111.4 | K97 E98 N104 A105 | K97-E101 WeakPolarHBondContact O-CB 3.36Å; K97-E101 WeakPolarHBondContact O-CG 3.29Å; K97-E101 PolarHBondContact O-N 2.89Å; E98-E101 PolarHBondContact O-N 3.01Å; E101-N104 PolarHBondContact O-N 3.23Å; E101-A105 WeakPolarHBondContact O-CB 3.44Å; E101-A105 PolarHBondContact O-N 2.88Å |
| 102 | E | 61.7 | Low | 63.8 | Low | 128 Ų | 128 | 111.7 Ų | 111.7 | 60% | 0.598 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.5 | -42.9 | 170.8 | -99.5 | -171.9 | 160.8 | 0 | 0 | 112.1 | E98 N99 N104 A105 I106 | E98-E102 WeakPolarHBondContact O-CB 3.21Å; E98-E102 PolarHBondContact O-N 2.98Å; N99-E102 PolarHBondContact O-N 3.26Å; E102-N104 VanDerWaalsContact C-N 3.35Å; E102-N104 PolarHBondContact O-N 2.92Å; E102-A105 PolarHBondContact O-N 3.32Å; E102-I106 WeakPolarHBondContact O-CB 3.5Å; E102-I106 WeakPolarHBondContact O-CD1 3.35Å; E102-I106 WeakPolarHBondContact O-CG1 3.45Å; E102-I106 PolarHBondContact O-N 2.79Å |
| 103 | I | 66.1 | Low | 62.8 | Low | 92 Ų | 92 | 114 Ų | 114 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.1 | -40.9 | 177.3 | -68.9 | 164 | 0 | 0 | 0 | 110.9 | N99 E100 A107 M143 | N99-I103 WeakPolarHBondContact O-CB 3.17Å; N99-I103 WeakPolarHBondContact O-CD1 3.38Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 2.61Å; E100-I103 PolarHBondContact O-N 3.46Å; I103-A107 WeakPolarHBondContact O-CB 3.5Å; I103-A107 PolarHBondContact O-N 3.17Å; I103-M143 HydrophobicContact CD1-CE 4.46Å |
| 104 | N | 69.1 | Low | 61.5 | Low | 97 Ų | 97 | 114.7 Ų | 114.7 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.2 | -33.1 | 177.4 | -73.5 | -34.2 | 0 | 0 | 0 | 112.6 | E100 E101 E102 A107 N108 | E100-N104 VanDerWaalsContact O-CB 3.29Å; E100-N104 WeakPolarHBondContact O-CB 3.39Å; E100-N104 VanDerWaalsContact O-CG 3.23Å; E100-N104 PolarHBondContact O-N 2.88Å; E100-N104 PolarHBondContact O-ND2 2.73Å; E100-N104 VanDerWaalsContact O-ND2 3.08Å; E101-N104 PolarHBondContact O-N 3.23Å; E102-N104 VanDerWaalsContact C-N 3.35Å; E102-N104 PolarHBondContact O-N 2.92Å; N104-A107 PolarHBondContact O-N 3.27Å; N104-N108 WeakPolarHBondContact O-CB 3.22Å; N104-N108 PolarHBondContact O-N 3.42Å |
| 105 | A | 67.9 | Low | 60.6 | Low | 52 Ų | 52 | 119.5 Ų | 119.5 | 43% | 0.43 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.3 | -39.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E101 E102 A107 N108 T109 | E101-A105 WeakPolarHBondContact O-CB 3.44Å; E101-A105 PolarHBondContact O-N 2.88Å; E102-A105 PolarHBondContact O-N 3.32Å; A105-A107 VanDerWaalsContact C-N 3.34Å; A105-N108 PolarHBondContact O-N 2.99Å; A105-T109 VanDerWaalsContact O-CG2 3.24Å; A105-T109 WeakPolarHBondContact O-CG2 3.45Å; A105-T109 PolarHBondContact O-N 2.85Å; A105-T109 PolarHBondContact O-OG1 3.29Å; A105-T109 VanDerWaalsContact O-OG1 3.05Å |
| 106 | I | 64.6 | Low | 60 | Low | 112 Ų | 112 | 116.5 Ų | 116.5 | 57% | 0.574 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.9 | -34.5 | 174.9 | -64.2 | 163.6 | 0 | 0 | 0 | 111 | E102 T109 | E102-I106 WeakPolarHBondContact O-CB 3.5Å; E102-I106 WeakPolarHBondContact O-CD1 3.35Å; E102-I106 WeakPolarHBondContact O-CG1 3.45Å; E102-I106 PolarHBondContact O-N 2.79Å; I106-T109 WeakPolarHBondContact CA-OG1 3.36Å; I106-T109 PolarHBondContact O-OG1 2.89Å; I106-T109 VanDerWaalsContact O-OG1 3.1Å |
| 107 | A | 65 | Low | 59.7 | Low | 64 Ų | 64 | 118.1 Ų | 118.1 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.4 | -38.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I103 N104 A105 | I103-A107 WeakPolarHBondContact O-CB 3.5Å; I103-A107 PolarHBondContact O-N 3.17Å; N104-A107 PolarHBondContact O-N 3.27Å; A105-A107 VanDerWaalsContact C-N 3.34Å |
| 108 | N | 63.9 | Low | 58.7 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 66% | 0.663 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -78.1 | -28.2 | -179.5 | -81.8 | -9.7 | 0 | 0 | 0 | 113.7 | N104 A105 N110 S111 | N104-N108 WeakPolarHBondContact O-CB 3.22Å; N104-N108 PolarHBondContact O-N 3.42Å; A105-N108 PolarHBondContact O-N 2.99Å; N108-N110 PolarHBondContact O-N 3.36Å; N108-S111 VanDerWaalsContact O-CB 3.24Å; N108-S111 WeakPolarHBondContact O-CB 3.12Å; N108-S111 PolarHBondContact O-N 2.86Å |
| 109 | T | 59.8 | Low | 58.5 | Low | 104 Ų | 104 | 119.4 Ų | 119.4 | 64% | 0.638 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.5 | -16.8 | 179.1 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | A105 I106 S111 | A105-T109 VanDerWaalsContact O-CG2 3.24Å; A105-T109 WeakPolarHBondContact O-CG2 3.45Å; A105-T109 PolarHBondContact O-N 2.85Å; A105-T109 PolarHBondContact O-OG1 3.29Å; A105-T109 VanDerWaalsContact O-OG1 3.05Å; I106-T109 WeakPolarHBondContact CA-OG1 3.36Å; I106-T109 PolarHBondContact O-OG1 2.89Å; I106-T109 VanDerWaalsContact O-OG1 3.1Å; T109-S111 PolarHBondContact O-N 3.44Å |
| 110 | N | 58.3 | Low | 58.1 | Low | 136 Ų | 136 | 126.9 Ų | 126.9 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 6.9 | 172.5 | -97.9 | -14.9 | 0 | 0 | 0 | 114.7 | N108 Y112 | N108-N110 PolarHBondContact O-N 3.36Å; N110-Y112 PolarHBondContact O-N 3.3Å |
| 111 | S | 53.7 | Low | 57.7 | Low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 7.7 | -178.3 | -164.5 | 0 | 0 | 0 | 0 | 115.4 | N108 T109 | N108-S111 VanDerWaalsContact O-CB 3.24Å; N108-S111 WeakPolarHBondContact O-CB 3.12Å; N108-S111 PolarHBondContact O-N 2.86Å; T109-S111 PolarHBondContact O-N 3.44Å |
| 112 | Y | 53.5 | Low | 57 | Low | 220 Ų | 220 | 123.6 Ų | 123.6 | 86% | 0.863 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 7.1 | 178.2 | -96.8 | -86.4 | 0 | 0 | 0 | 115.6 | N110 | N110-Y112 PolarHBondContact O-N 3.3Š|
| 113 | R | 56.1 | Low | 56.8 | Low | 229 Ų | 229 | 124.7 Ų | 124.7 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | -104.7 | 67.9 | 174.7 | -158.6 | 166.9 | -174.5 | 162.9 | 0.6 | 112 | V115 | R113-V115 PolarHBondContact O-N 2.76Š| ||
| 114 | S | 50.3 | Low | 56.7 | Low | 108 Ų | 108 | 122.9 Ų | 122.9 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | trans | -75.5 | 89.2 | 177.1 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 115 | V | 48.4 | Very low | 56.7 | Low | 129 Ų | 129 | 125.5 Ų | 125.5 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -144.1 | 114.2 | 150.4 | -82.5 | 0 | 0 | 0 | 0 | 109 | R113 | R113-V115 PolarHBondContact O-N 2.76Š|
| 116 | A | 47.5 | Very low | 56.9 | Low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | trans | 6.9 | 121.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | T118 | A116-T118 PolarHBondContact O-N 3.24Å; A116-T118 VanDerWaalsContact O-N 3.16Å | ||
| 117 | P | 54.9 | Low | 57.3 | Low | 134 Ų | 134 | 126.5 Ų | 126.5 | 87% | 0.87 | 71% | 0.705 | S | S | * | * | trans | -67.5 | 116.2 | 170.6 | 29.2 | -30.4 | 0 | 0 | 0 | 109 | ||||
| 118 | T | 42 | Very low | 57.5 | Low | 112 Ų | 112 | 131.3 Ų | 131.3 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | -75.1 | 148.1 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | A116 R120 G121 | A116-T118 PolarHBondContact O-N 3.24Å; A116-T118 VanDerWaalsContact O-N 3.16Å; T118-R120 PolarHBondContact O-N 2.95Å; T118-G121 PolarHBondContact O-N 3.41Å; T118-G121 VanDerWaalsContact O-N 3.13Å | ||
| 119 | L | 54.6 | Low | 57.7 | Low | 183 Ų | 183 | 134 Ų | 134 | 96% | 0.958 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 2.8 | -174.2 | -159.6 | 65.8 | 0 | 0 | 0 | 115.4 | ||
| 120 | R | 53.6 | Low | 58.5 | Low | 221 Ų | 221 | 137.8 Ų | 137.8 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -3.7 | 171.3 | -75.7 | -168.3 | 175 | -154 | 0.4 | 114.4 | T118 S122 | T118-R120 PolarHBondContact O-N 2.95Å; R120-S122 PolarHBondContact O-N 3.15Å |
| 121 | G | 55.8 | Low | 59.2 | Low | 53 Ų | 53 | 138.7 Ų | 138.7 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67 | 0.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | T118 | T118-G121 PolarHBondContact O-N 3.41Å; T118-G121 VanDerWaalsContact O-N 3.13Å |
| 122 | S | 51 | Low | 59.9 | Low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -19.4 | 179.1 | 70 | 0 | 0 | 0 | 0 | 114.8 | R120 D124 | R120-S122 PolarHBondContact O-N 3.15Å; S122-D124 VanDerWaalsContact C-N 3.29Å |
| 123 | Q | 56.7 | Low | 60.4 | Low | 152 Ų | 152 | 134.1 Ų | 134.1 | 71% | 0.71 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -89.8 | 0.5 | 177.4 | -69.9 | -176.6 | -17.4 | 0 | 0 | 112.9 | L125 | Q123-L125 PolarHBondContact O-N 3.4Š|
| 124 | D | 64.4 | Low | 61.3 | Low | 53 Ų | 53 | 128.9 Ų | 128.9 | 28% | 0.283 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -82.7 | -5.7 | -161.3 | -143.9 | 14.4 | 0 | 0 | 0 | 114 | S122 R128 | S122-D124 VanDerWaalsContact C-N 3.29Å; D124-R128 WeakPolarHBondContact O-CA 3.37Å; D124-R128 WeakPolarHBondContact O-CB 3.4Å; D124-R128 VanDerWaalsContact O-CG 3.25Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 3Å |
| 125 | L | 68.4 | Low | 62 | Low | 153 Ų | 153 | 129.4 Ų | 129.4 | 80% | 0.801 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.6 | -43.8 | 179.4 | -153.5 | 100.4 | 0 | 0 | 0 | 111.8 | Q123 R129 | Q123-L125 PolarHBondContact O-N 3.4Å; L125-R129 VanDerWaalsContact O-CB 3.29Å; L125-R129 WeakPolarHBondContact O-CB 3.33Å; L125-R129 PolarHBondContact O-N 3.44Å |
| 126 | A | 73.2 | Confident | 62.6 | Low | 68 Ų | 68 | 126.7 Ų | 126.7 | 56% | 0.562 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.8 | -37.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R129 R130 | A126-R129 PolarHBondContact O-N 3.09Å; A126-R130 WeakPolarHBondContact O-CG 3.2Å; A126-R130 PolarHBondContact O-N 3.27Å |
| 127 | E | 72.7 | Confident | 63.4 | Low | 116 Ų | 116 | 129.6 Ų | 129.6 | 54% | 0.542 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -72.5 | -38.2 | 173.9 | -77.7 | -173 | 163.7 | 0 | 0 | 112.5 | R129 R130 R131 | E127-R129 VanDerWaalsContact C-N 3.29Å; E127-R129 PolarHBondContact O-N 3.16Å; E127-R130 CarbonylContact O-C 3.55Å; E127-R130 PolarHBondContact O-N 3.05Å; E127-R131 WeakPolarHBondContact O-CB 3.27Å; E127-R131 PolarHBondContact O-N 3.13Å |
| 128 | R | 68.9 | Low | 63.5 | Low | 166 Ų | 166 | 131.8 Ų | 131.8 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -59.2 | -42 | 166.5 | -89.5 | -178.9 | 168.3 | 176.5 | -4.1 | 111.4 | D124 R130 R131 M132 | D124-R128 WeakPolarHBondContact O-CA 3.37Å; D124-R128 WeakPolarHBondContact O-CB 3.4Å; D124-R128 VanDerWaalsContact O-CG 3.25Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 3Å; R128-R130 VanDerWaalsContact C-N 3.32Å; R128-R130 PolarHBondContact O-N 2.76Å; R128-R131 PolarHBondContact O-N 3.2Å; R128-M132 WeakPolarHBondContact O-CB 3.2Å; R128-M132 PolarHBondContact O-N 3.44Å |
| 129 | R | 67.4 | Low | 64.3 | Low | 179 Ų | 179 | 133.2 Ų | 133.2 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.6 | -40.1 | 176.8 | -158.5 | 175 | -175 | 157.6 | 3.5 | 110.8 | L125 A126 E127 I133 | L125-R129 VanDerWaalsContact O-CB 3.29Å; L125-R129 WeakPolarHBondContact O-CB 3.33Å; L125-R129 PolarHBondContact O-N 3.44Å; A126-R129 PolarHBondContact O-N 3.09Å; E127-R129 VanDerWaalsContact C-N 3.29Å; E127-R129 PolarHBondContact O-N 3.16Å; R129-I133 HydrophobicContact CG-CD1 4.22Å; R129-I133 WeakPolarHBondContact O-CB 3.21Å; R129-I133 VanDerWaalsContact O-CD1 3.27Å; R129-I133 WeakPolarHBondContact O-CD1 3.19Å; R129-I133 WeakPolarHBondContact O-CG1 3.32Å; R129-I133 PolarHBondContact O-N 3.48Å |
| 130 | R | 77.8 | Confident | 64.3 | Low | 184 Ų | 184 | 127.9 Ų | 127.9 | 69% | 0.694 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.2 | -42.8 | 172.8 | -76.6 | -174.1 | 178.5 | -167.2 | 1.2 | 112.7 | A126 E127 R128 I133 E134 | A126-R130 WeakPolarHBondContact O-CG 3.2Å; A126-R130 PolarHBondContact O-N 3.27Å; E127-R130 CarbonylContact O-C 3.55Å; E127-R130 PolarHBondContact O-N 3.05Å; R128-R130 VanDerWaalsContact C-N 3.32Å; R128-R130 PolarHBondContact O-N 2.76Å; R130-I133 CarbonylContact O-C 3.58Å; R130-I133 PolarHBondContact O-N 3.34Å; R130-E134 WeakPolarHBondContact O-CB 3.26Å; R130-E134 WeakPolarHBondContact O-CG 3.25Å; R130-E134 PolarHBondContact O-N 3.41Å |
| 131 | R | 71.8 | Confident | 64 | Low | 155 Ų | 155 | 120.3 Ų | 120.3 | 59% | 0.585 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64 | -44.4 | 175.5 | -112 | -172 | -175.1 | 123.3 | 0.6 | 111.9 | E127 R128 I133 E134 E135 | E127-R131 WeakPolarHBondContact O-CB 3.27Å; E127-R131 PolarHBondContact O-N 3.13Å; R128-R131 PolarHBondContact O-N 3.2Å; R131-I133 VanDerWaalsContact C-N 3.27Å; R131-I133 PolarHBondContact O-N 3.46Å; R131-E134 CarbonylContact O-C 3.59Å; R131-E134 PolarHBondContact O-N 2.97Å; R131-E134 VanDerWaalsContact O-N 3.11Å; R131-E135 WeakPolarHBondContact O-CB 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.19Å; R131-E135 PolarHBondContact O-N 3.29Å |
| 132 | M | 68.5 | Low | 63.6 | Low | 127 Ų | 127 | 122.2 Ų | 122.2 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.9 | -35 | 176.4 | -162 | -171.9 | -67.7 | 0 | 0 | 110.8 | R128 S136 | R128-M132 WeakPolarHBondContact O-CB 3.2Å; R128-M132 PolarHBondContact O-N 3.44Å; M132-S136 VanDerWaalsContact O-CB 3.26Å; M132-S136 WeakPolarHBondContact O-CB 3.25Å; M132-S136 PolarHBondContact O-N 3.19Å; M132-S136 PolarHBondContact O-OG 3.29Å |
| 133 | I | 64.6 | Low | 63.6 | Low | 99 Ų | 99 | 124.7 Ų | 124.7 | 51% | 0.508 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.1 | -39.6 | 171.2 | -68.9 | 163.1 | 0 | 0 | 0 | 111.6 | R129 R130 R131 S136 K137 | R129-I133 HydrophobicContact CG-CD1 4.22Å; R129-I133 WeakPolarHBondContact O-CB 3.21Å; R129-I133 VanDerWaalsContact O-CD1 3.27Å; R129-I133 WeakPolarHBondContact O-CD1 3.19Å; R129-I133 WeakPolarHBondContact O-CG1 3.32Å; R129-I133 PolarHBondContact O-N 3.48Å; R130-I133 CarbonylContact O-C 3.58Å; R130-I133 PolarHBondContact O-N 3.34Å; R131-I133 VanDerWaalsContact C-N 3.27Å; R131-I133 PolarHBondContact O-N 3.46Å; I133-S136 WeakPolarHBondContact CA-OG 3.22Å; I133-S136 PolarHBondContact O-OG 3.47Å; I133-S136 VanDerWaalsContact O-OG 3.11Å; I133-K137 VanDerWaalsContact O-CB 3.22Å; I133-K137 WeakPolarHBondContact O-CB 3.32Å; I133-K137 PolarHBondContact O-N 2.8Å |
| 134 | E | 74.1 | Confident | 63.8 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 55% | 0.551 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.7 | -41.3 | 177 | -81.1 | -179.2 | 167.6 | 0 | 0 | 112.2 | R130 R131 K137 Y138 | R130-E134 WeakPolarHBondContact O-CB 3.26Å; R130-E134 WeakPolarHBondContact O-CG 3.25Å; R130-E134 PolarHBondContact O-N 3.41Å; R131-E134 CarbonylContact O-C 3.59Å; R131-E134 PolarHBondContact O-N 2.97Å; R131-E134 VanDerWaalsContact O-N 3.11Å; E134-K137 WeakPolarHBondContact O-CB 2.99Å; E134-K137 PolarHBondContact O-N 2.8Å; E134-Y138 WeakPolarHBondContact O-CD2 3.39Å |
| 135 | E | 65 | Low | 63.1 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 56% | 0.556 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.4 | -41.1 | 176.4 | -71 | 170.5 | -175.8 | 0 | 0 | 110.6 | R131 K137 Y138 L139 | R131-E135 WeakPolarHBondContact O-CB 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.19Å; R131-E135 PolarHBondContact O-N 3.29Å; E135-K137 PolarHBondContact O-N 2.96Å; E135-Y138 PolarHBondContact O-N 2.74Å; E135-L139 PolarHBondContact O-N 3.24Å |
| 136 | S | 61.4 | Low | 62.1 | Low | 72 Ų | 72 | 125.9 Ų | 125.9 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.9 | -24.5 | 173.9 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | M132 I133 Y138 L139 | M132-S136 VanDerWaalsContact O-CB 3.26Å; M132-S136 WeakPolarHBondContact O-CB 3.25Å; M132-S136 PolarHBondContact O-N 3.19Å; M132-S136 PolarHBondContact O-OG 3.29Å; I133-S136 WeakPolarHBondContact CA-OG 3.22Å; I133-S136 PolarHBondContact O-OG 3.47Å; I133-S136 VanDerWaalsContact O-OG 3.11Å; S136-Y138 PolarHBondContact O-N 3.43Å; S136-L139 PolarHBondContact O-N 2.79Å |
| 137 | K | 65.1 | Low | 61.1 | Low | 145 Ų | 145 | 130.2 Ų | 130.2 | 63% | 0.63 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.1 | -29.8 | 174.8 | -177.4 | -177.7 | 177.5 | -167.4 | 0 | 112.4 | I133 E134 E135 | I133-K137 VanDerWaalsContact O-CB 3.22Å; I133-K137 WeakPolarHBondContact O-CB 3.32Å; I133-K137 PolarHBondContact O-N 2.8Å; E134-K137 WeakPolarHBondContact O-CB 2.99Å; E134-K137 PolarHBondContact O-N 2.8Å; E135-K137 PolarHBondContact O-N 2.96Å |
| 138 | Y | 57.4 | Low | 60 | Low | 179 Ų | 179 | 132 Ų | 132 | 70% | 0.702 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -107.1 | -9.2 | -177.9 | -57.3 | -75.2 | 0 | 0 | 0 | 114.2 | E134 E135 S136 | E134-Y138 WeakPolarHBondContact O-CD2 3.39Å; E135-Y138 PolarHBondContact O-N 2.74Å; S136-Y138 PolarHBondContact O-N 3.43Å |
| 139 | L | 57.9 | Low | 59.2 | Low | 142 Ų | 142 | 128.7 Ų | 128.7 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -103.1 | -2 | -176.3 | -92.4 | 159.3 | 0 | 0 | 0 | 116.4 | E135 S136 | E135-L139 PolarHBondContact O-N 3.24Å; S136-L139 PolarHBondContact O-N 2.79Å |
| 140 | G | 53.9 | Low | 58.6 | Low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | trans | 62.6 | 81.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 141 | G | 49 | Very low | 57.8 | Low | 62 Ų | 62 | 122.6 Ų | 122.6 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | trans | 87.1 | 153.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 142 | D | 46.7 | Very low | 57.5 | Low | 93 Ų | 93 | 119.5 Ų | 119.5 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | cis | -150.2 | 159.3 | -12.3 | -82.1 | -26.6 | 0 | 0 | 0 | 104.2 | H145 T146 | D142-H145 WeakPolarHBondContact OD2-CA 3.35Å; D142-T146 WeakPolarHBondContact OD1-CA 3.08Å; D142-T146 PolarHBondContact OD1-N 2.78Å; D142-T146 PolarHBondContact OD2-N 3.27Å | ||
| 143 | M | 50.7 | Low | 57.4 | Low | 165 Ų | 165 | 118.5 Ų | 118.5 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -106.8 | -32.3 | 155.8 | -102.5 | 174.6 | 69.1 | 0 | 0 | 111.3 | I103 | I103-M143 HydrophobicContact CD1-CE 4.46Š|
| 144 | E | 61.3 | Low | 58 | Low | 123 Ų | 123 | 121 Ų | 121 | 58% | 0.575 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -143 | 66 | 176.6 | -62.3 | 173.5 | -164.4 | 0 | 0 | 107.7 | ||
| 145 | H | 49.4 | Very low | 58.1 | Low | 154 Ų | 154 | 117.8 Ų | 117.8 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 57.2 | 93.9 | 165.6 | -50.6 | 85.8 | 0 | 0 | 0 | 116.2 | D142 | D142-H145 WeakPolarHBondContact OD2-CA 3.35Š|
| 146 | T | 48.1 | Very low | 58.9 | Low | 106 Ų | 106 | 116.7 Ų | 116.7 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | trans | 49.1 | 82 | 162.2 | 62.2 | 0 | 0 | 0 | 0 | 116.1 | D142 | D142-T146 WeakPolarHBondContact OD1-CA 3.08Å; D142-T146 PolarHBondContact OD1-N 2.78Å; D142-T146 PolarHBondContact OD2-N 3.27Å | ||
| 147 | H | 52 | Low | 60.1 | Low | 159 Ų | 159 | 118 Ų | 118 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | trans | -108.8 | 92 | 160.8 | -66.2 | -19.5 | 0 | 0 | 0 | 109 | V149 | H147-V149 PolarHBondContact O-N 2.8Š| ||
| 148 | L | 48.9 | Very low | 61 | Low | 154 Ų | 154 | 116.9 Ų | 116.9 | 81% | 0.806 | 62% | 0.623 | S | S | * | * | trans | 12.4 | 99.6 | 156.4 | -67.8 | 165 | 0 | 0 | 0 | 112.7 | K150 | L148-K150 PolarHBondContact O-N 2.74Š| ||
| 149 | V | 51.7 | Low | 62.4 | Low | 96 Ų | 96 | 115 Ų | 115 | 58% | 0.582 | 62% | 0.618 | S | S | * | * | trans | -27.4 | 100.4 | 166.3 | -167 | 0 | 0 | 0 | 0 | 109 | H147 G151 L152 | H147-V149 PolarHBondContact O-N 2.8Å; V149-G151 PolarHBondContact O-N 3.3Å; V149-L152 HydrophobicContact CB-CB 3.59Å; V149-L152 HydrophobicContact CG1-CB 3.95Å; V149-L152 HydrophobicContact CG2-CB 4.3Å; V149-L152 PolarHBondContact O-N 3.17Å | ||
| 150 | K | 55.3 | Low | 63.8 | Low | 197 Ų | 197 | 111.3 Ų | 111.3 | 86% | 0.857 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -54.9 | -23.4 | 167.7 | -88.1 | -176.8 | 175.5 | 174.1 | 0 | 110.4 | L148 Y154 | L148-K150 PolarHBondContact O-N 2.74Å; K150-Y154 WeakPolarHBondContact O-CB 3.37Å; K150-Y154 PolarHBondContact O-N 2.95Å |
| 151 | G | 61 | Low | 65.4 | Low | 38 Ų | 38 | 115.9 Ų | 115.9 | 39% | 0.392 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.3 | -17.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | V149 A155 | V149-G151 PolarHBondContact O-N 3.3Å; G151-A155 WeakPolarHBondContact O-CA 3.35Å; G151-A155 WeakPolarHBondContact O-CB 3.34Å; G151-A155 PolarHBondContact O-N 2.77Å |
| 152 | L | 66.2 | Low | 67 | Low | 91 Ų | 91 | 115.7 Ų | 115.7 | 48% | 0.476 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -77.6 | -45.9 | 175.9 | 178.7 | 140.4 | 0 | 0 | 0 | 109.9 | V149 Y154 A155 L156 | V149-L152 HydrophobicContact CB-CB 3.59Å; V149-L152 HydrophobicContact CG1-CB 3.95Å; V149-L152 HydrophobicContact CG2-CB 4.3Å; V149-L152 PolarHBondContact O-N 3.17Å; L152-Y154 VanDerWaalsContact C-N 3.3Å; L152-Y154 PolarHBondContact O-N 3.37Å; L152-A155 CarbonylContact O-C 3.59Å; L152-A155 PolarHBondContact O-N 3.3Å; L152-L156 HydrophobicContact CD2-CD1 3.97Å; L152-L156 HydrophobicContact CG-CD1 4.19Å; L152-L156 VanDerWaalsContact O-CB 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.27Å; L152-L156 PolarHBondContact O-N 3.32Å |
| 153 | D | 66.4 | Low | 68.9 | Low | 105 Ų | 105 | 116.4 Ų | 116.4 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.8 | -39 | 172.6 | -73.9 | -14.7 | 0 | 0 | 0 | 110.8 | L156 L157 | D153-L156 PolarHBondContact O-N 2.77Å; D153-L157 VanDerWaalsContact O-CB 3.25Å; D153-L157 WeakPolarHBondContact O-CB 3.33Å; D153-L157 WeakPolarHBondContact O-CG 3.27Å; D153-L157 PolarHBondContact O-N 2.86Å |
| 154 | Y | 77.5 | Confident | 70.5 | Confident | 151 Ų | 151 | 112.4 Ų | 112.4 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.1 | -39.6 | 173.3 | -171.2 | -94.6 | 0 | 0 | 0 | 112.6 | K150 L152 L157 Q158 | K150-Y154 WeakPolarHBondContact O-CB 3.37Å; K150-Y154 PolarHBondContact O-N 2.95Å; L152-Y154 VanDerWaalsContact C-N 3.3Å; L152-Y154 PolarHBondContact O-N 3.37Å; Y154-L157 PolarHBondContact O-N 3.28Å; Y154-Q158 VanDerWaalsContact O-CB 3.27Å; Y154-Q158 WeakPolarHBondContact O-CB 3.38Å; Y154-Q158 PolarHBondContact O-N 3.39Å |
| 155 | A | 76.3 | Confident | 71.8 | Confident | 52 Ų | 52 | 110.5 Ų | 110.5 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.4 | -34.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | G151 L152 Q158 K159 | G151-A155 WeakPolarHBondContact O-CA 3.35Å; G151-A155 WeakPolarHBondContact O-CB 3.34Å; G151-A155 PolarHBondContact O-N 2.77Å; L152-A155 CarbonylContact O-C 3.59Å; L152-A155 PolarHBondContact O-N 3.3Å; A155-Q158 PolarHBondContact O-N 2.79Å; A155-K159 WeakPolarHBondContact O-CB 3.36Å; A155-K159 PolarHBondContact O-N 2.75Å |
| 156 | L | 82 | Confident | 73.3 | Confident | 95 Ų | 95 | 104.6 Ų | 104.6 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 171.8 | -122.1 | 94.3 | 0 | 0 | 0 | 109.6 | L152 D153 Q158 K159 V160 | L152-L156 HydrophobicContact CD2-CD1 3.97Å; L152-L156 HydrophobicContact CG-CD1 4.19Å; L152-L156 VanDerWaalsContact O-CB 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.27Å; L152-L156 PolarHBondContact O-N 3.32Å; D153-L156 PolarHBondContact O-N 2.77Å; L156-Q158 VanDerWaalsContact C-N 3.34Å; L156-K159 PolarHBondContact O-N 3.32Å; L156-V160 WeakPolarHBondContact O-CB 3.06Å; L156-V160 WeakPolarHBondContact O-CG2 3.26Å; L156-V160 PolarHBondContact O-N 3.48Å |
| 157 | L | 84.9 | Confident | 74.9 | Confident | 100 Ų | 100 | 109.2 Ų | 109.2 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.3 | -77.4 | 169.7 | 0 | 0 | 0 | 111.3 | D153 Y154 R161 | D153-L157 VanDerWaalsContact O-CB 3.25Å; D153-L157 WeakPolarHBondContact O-CB 3.33Å; D153-L157 WeakPolarHBondContact O-CG 3.27Å; D153-L157 PolarHBondContact O-N 2.86Å; Y154-L157 PolarHBondContact O-N 3.28Å; L157-R161 WeakPolarHBondContact O-CB 3.39Å; L157-R161 WeakPolarHBondContact O-CG 3.22Å; L157-R161 PolarHBondContact O-N 2.94Å |
| 158 | Q | 84.9 | Confident | 76.2 | Confident | 122 Ų | 122 | 109 Ų | 109 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.4 | -39.8 | 174.6 | -171.3 | 167.7 | 2.9 | 0 | 0 | 111.4 | Y154 A155 L156 S162 | Y154-Q158 VanDerWaalsContact O-CB 3.27Å; Y154-Q158 WeakPolarHBondContact O-CB 3.38Å; Y154-Q158 PolarHBondContact O-N 3.39Å; A155-Q158 PolarHBondContact O-N 2.79Å; L156-Q158 VanDerWaalsContact C-N 3.34Å; Q158-S162 WeakPolarHBondContact O-CB 3.46Å; Q158-S162 PolarHBondContact O-N 3.01Å; Q158-S162 PolarHBondContact O-OG 2.7Å |
| 159 | K | 85.9 | Confident | 77.5 | Confident | 138 Ų | 138 | 109.4 Ų | 109.4 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.3 | -47.8 | 174.4 | -174.4 | 179.5 | 179.1 | -175.9 | 0 | 111.5 | A155 L156 S162 E163 | A155-K159 WeakPolarHBondContact O-CB 3.36Å; A155-K159 PolarHBondContact O-N 2.75Å; L156-K159 PolarHBondContact O-N 3.32Å; K159-S162 WeakPolarHBondContact CA-OG 3.29Å; K159-S162 CarbonylContact O-C 3.51Å; K159-S162 PolarHBondContact O-N 3.11Å; K159-S162 PolarHBondContact O-OG 3.34Å; K159-E163 VanDerWaalsContact O-CB 3.29Å; K159-E163 WeakPolarHBondContact O-CB 3.42Å; K159-E163 PolarHBondContact O-N 3.43Å |
| 160 | V | 87.2 | Confident | 77.9 | Confident | 65 Ų | 65 | 107.9 Ų | 107.9 | 39% | 0.394 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L156 E163 I164 | L156-V160 WeakPolarHBondContact O-CB 3.06Å; L156-V160 WeakPolarHBondContact O-CG2 3.26Å; L156-V160 PolarHBondContact O-N 3.48Å; V160-E163 PolarHBondContact O-N 3.49Å; V160-I164 HydrophobicContact CG1-CD1 3.77Å; V160-I164 HydrophobicContact CG1-CG1 4.39Å; V160-I164 WeakPolarHBondContact O-CB 2.98Å; V160-I164 WeakPolarHBondContact O-CG1 3.5Å; V160-I164 PolarHBondContact O-N 3.43Å |
| 161 | R | 89.2 | Confident | 77.9 | Confident | 167 Ų | 167 | 105.3 Ų | 105.3 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.8 | -47.2 | 171.8 | -78.3 | 174.6 | 175.5 | -179.6 | -1.7 | 111.3 | L157 E163 I164 D165 | L157-R161 WeakPolarHBondContact O-CB 3.39Å; L157-R161 WeakPolarHBondContact O-CG 3.22Å; L157-R161 PolarHBondContact O-N 2.94Å; R161-E163 VanDerWaalsContact C-N 3.34Å; R161-E163 PolarHBondContact O-N 3.42Å; R161-I164 PolarHBondContact O-N 3.49Å; R161-D165 WeakPolarHBondContact O-CB 3.17Å; R161-D165 VanDerWaalsContact O-CG 3.27Å; R161-D165 PolarHBondContact O-N 3.36Å |
| 162 | S | 82 | Confident | 77.5 | Confident | 59 Ų | 59 | 111.6 Ų | 111.6 | 41% | 0.413 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.7 | -34.5 | 176.4 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | Q158 K159 D165 V166 | Q158-S162 WeakPolarHBondContact O-CB 3.46Å; Q158-S162 PolarHBondContact O-N 3.01Å; Q158-S162 PolarHBondContact O-OG 2.7Å; K159-S162 WeakPolarHBondContact CA-OG 3.29Å; K159-S162 CarbonylContact O-C 3.51Å; K159-S162 PolarHBondContact O-N 3.11Å; K159-S162 PolarHBondContact O-OG 3.34Å; S162-D165 PolarHBondContact O-N 3.2Å; S162-V166 WeakPolarHBondContact O-CB 3.42Å; S162-V166 WeakPolarHBondContact O-CG2 3.49Å; S162-V166 PolarHBondContact O-N 2.9Å |
| 163 | E | 86 | Confident | 76.9 | Confident | 107 Ų | 107 | 111.5 Ų | 111.5 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.2 | -39.3 | 177.5 | -173.7 | 179.4 | 162.5 | 0 | 0 | 111.1 | K159 V160 R161 R167 | K159-E163 VanDerWaalsContact O-CB 3.29Å; K159-E163 WeakPolarHBondContact O-CB 3.42Å; K159-E163 PolarHBondContact O-N 3.43Å; V160-E163 PolarHBondContact O-N 3.49Å; R161-E163 VanDerWaalsContact C-N 3.34Å; R161-E163 PolarHBondContact O-N 3.42Å; E163-R167 WeakPolarHBondContact O-CB 3.36Å; E163-R167 PolarHBondContact O-N 3.46Å |
| 164 | I | 85.2 | Confident | 76.5 | Confident | 82 Ų | 82 | 114.7 Ų | 114.7 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -48.4 | 172.1 | -67.1 | 165.4 | 0 | 0 | 0 | 109.9 | V160 R161 V166 R167 E168 | V160-I164 HydrophobicContact CG1-CD1 3.77Å; V160-I164 HydrophobicContact CG1-CG1 4.39Å; V160-I164 WeakPolarHBondContact O-CB 2.98Å; V160-I164 WeakPolarHBondContact O-CG1 3.5Å; V160-I164 PolarHBondContact O-N 3.43Å; R161-I164 PolarHBondContact O-N 3.49Å; I164-V166 VanDerWaalsContact C-N 3.34Å; I164-V166 PolarHBondContact O-N 3.43Å; I164-R167 CarbonylContact O-C 3.58Å; I164-R167 PolarHBondContact O-N 3.12Å; I164-R167 VanDerWaalsContact O-N 3.13Å; I164-E168 HydrophobicContact CG2-CG 4.18Å; I164-E168 WeakPolarHBondContact O-CB 3.31Å; I164-E168 WeakPolarHBondContact O-CG 3.49Å; I164-E168 PolarHBondContact O-N 3.05Å |
| 165 | D | 87.6 | Confident | 75.3 | Confident | 82 Ų | 82 | 117.1 Ų | 117.1 | 44% | 0.439 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.9 | -41.2 | 178.6 | -72.2 | -14.7 | 0 | 0 | 0 | 112.4 | R161 S162 K169 | R161-D165 WeakPolarHBondContact O-CB 3.17Å; R161-D165 VanDerWaalsContact O-CG 3.27Å; R161-D165 PolarHBondContact O-N 3.36Å; S162-D165 PolarHBondContact O-N 3.2Å; D165-K169 WeakPolarHBondContact O-CB 3.43Å; D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.3Å; D165-K169 PolarHBondContact O-N 2.88Å |
| 166 | V | 81.5 | Confident | 74.4 | Confident | 31 Ų | 31 | 121.5 Ų | 121.5 | 19% | 0.188 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -67.1 | -40.4 | 176.3 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | S162 I164 K169 G170 E171 P173 L176 | S162-V166 WeakPolarHBondContact O-CB 3.42Å; S162-V166 WeakPolarHBondContact O-CG2 3.49Å; S162-V166 PolarHBondContact O-N 2.9Å; I164-V166 VanDerWaalsContact C-N 3.34Å; I164-V166 PolarHBondContact O-N 3.43Å; V166-K169 PolarHBondContact O-N 3.25Å; V166-G170 PolarHBondContact O-N 2.88Å; V166-E171 WeakPolarHBondContact CG1-O 3.38Å; V166-E171 PolarHBondContact O-N 3.48Å; V166-P173 HydrophobicContact CG1-CB 4.12Å; V166-L176 HydrophobicContact CG2-CD1 4.22Å |
| 167 | R | 80.4 | Confident | 72.7 | Confident | 203 Ų | 203 | 122.2 Ų | 122.2 | 77% | 0.766 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.9 | -34.7 | 177.3 | -170.3 | 174.3 | 179 | 170.1 | -1.2 | 112.5 | E163 I164 G170 | E163-R167 WeakPolarHBondContact O-CB 3.36Å; E163-R167 PolarHBondContact O-N 3.46Å; I164-R167 CarbonylContact O-C 3.58Å; I164-R167 PolarHBondContact O-N 3.12Å; I164-R167 VanDerWaalsContact O-N 3.13Å; R167-G170 PolarHBondContact O-N 3.21Å |
| 168 | E | 80 | Confident | 70.9 | Confident | 153 Ų | 153 | 122.5 Ų | 122.5 | 72% | 0.715 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.7 | -34.4 | 174.7 | -75.7 | -174.3 | 175.9 | 0 | 0 | 112.1 | I164 G170 | I164-E168 HydrophobicContact CG2-CG 4.18Å; I164-E168 WeakPolarHBondContact O-CB 3.31Å; I164-E168 WeakPolarHBondContact O-CG 3.49Å; I164-E168 PolarHBondContact O-N 3.05Å; E168-G170 PolarHBondContact O-N 3.43Å |
| 169 | K | 75.6 | Confident | 68.8 | Low | 163 Ų | 163 | 122.1 Ų | 122.1 | 71% | 0.709 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -2.3 | 173.5 | -72.5 | 174.6 | -178.1 | 173.1 | 0 | 114.2 | D165 V166 E171 | D165-K169 WeakPolarHBondContact O-CB 3.43Å; D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.3Å; D165-K169 PolarHBondContact O-N 2.88Å; V166-K169 PolarHBondContact O-N 3.25Å; K169-E171 PolarHBondContact O-N 3.03Å |
| 170 | G | 60.8 | Low | 66.7 | Low | 65 Ų | 65 | 121.1 Ų | 121.1 | 67% | 0.67 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.7 | 13.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V166 R167 E168 | V166-G170 PolarHBondContact O-N 2.88Å; R167-G170 PolarHBondContact O-N 3.21Å; E168-G170 PolarHBondContact O-N 3.43Å |
| 171 | E | 56.4 | Low | 64.8 | Low | 142 Ų | 142 | 122 Ų | 122 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | trans | -89.4 | 121.1 | 175.7 | -73.1 | -171.9 | 155 | 0 | 0 | 110 | V166 K169 | V166-E171 WeakPolarHBondContact CG1-O 3.38Å; V166-E171 PolarHBondContact O-N 3.48Å; K169-E171 PolarHBondContact O-N 3.03Å | ||
| 172 | H | 52.4 | Low | 62.6 | Low | 170 Ų | 170 | 120.4 Ų | 120.4 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | trans | -56.1 | 124 | -177.7 | -112.1 | -89.3 | 0 | 0 | 0 | 112.1 | E174 | H172-E174 VanDerWaalsContact C-N 3.26Å; H172-E174 PolarHBondContact O-N 3.25Å | ||
| 173 | P | 53.8 | Low | 60.7 | Low | 89 Ų | 89 | 124.2 Ų | 124.2 | 58% | 0.578 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 50 | -171.7 | 35.1 | -37.7 | 0 | 0 | 0 | 113.8 | V166 | V166-P173 HydrophobicContact CG1-CB 4.12Š|
| 174 | E | 56.4 | Low | 58.6 | Low | 172 Ų | 172 | 123 Ų | 123 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -1.3 | 174 | -75.4 | -167.7 | 165 | 0 | 0 | 114.3 | H172 | H172-E174 VanDerWaalsContact C-N 3.26Å; H172-E174 PolarHBondContact O-N 3.25Å |
| 175 | K | 53.5 | Low | 56.6 | Low | 203 Ų | 203 | 126.7 Ų | 126.7 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -101.4 | 4.1 | -176.4 | -73.3 | -174.9 | 178 | -178.4 | 0 | 116.4 | ||
| 176 | L | 55.9 | Low | 54.8 | Low | 143 Ų | 143 | 128.7 Ų | 128.7 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -112.3 | 10.9 | -167.3 | -75.2 | 165.8 | 0 | 0 | 0 | 116.7 | V166 | V166-L176 HydrophobicContact CG2-CD1 4.22Š|
| 177 | S | 47.2 | Very low | 53.5 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -120.8 | 11.6 | -174.3 | 62.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 178 | V | 47.2 | Very low | 52.4 | Low | 106 Ų | 106 | 134.6 Ų | 134.6 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | trans | -123.7 | 105.2 | 172.2 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | E180 | V178-E180 HydrophobicContact CG1-CB 4.26Å; V178-E180 HydrophobicContact CG1-CG 3.92Å; V178-E180 PolarHBondContact O-N 3.33Å | ||
| 179 | A | 41 | Very low | 51.5 | Low | 113 Ų | 113 | 135.1 Ų | 135.1 | 93% | 0.934 | 74% | 0.736 | S | S | * | * | trans | -61.8 | 85.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 180 | E | 41.4 | Very low | 51.1 | Low | 117 Ų | 117 | 136.7 Ų | 136.7 | 55% | 0.547 | 74% | 0.743 | S | S | . | * | trans | -87.4 | 120.8 | 173.4 | -119.4 | 176.1 | 178.7 | 0 | 0 | 107.6 | V178 K183 | V178-E180 HydrophobicContact CG1-CB 4.26Å; V178-E180 HydrophobicContact CG1-CG 3.92Å; V178-E180 PolarHBondContact O-N 3.33Å; E180-K183 WeakPolarHBondContact OE1-CE 3.45Å; E180-K183 IonicContact OE1-NZ 2.61Å; E180-K183 PolarHBondContact OE1-NZ 3.03Å | ||
| 181 | S | 48.4 | Very low | 51.9 | Low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | trans | -36.6 | 142.1 | 156.1 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | K183 | S181-K183 VanDerWaalsContact C-N 3.34Å; S181-K183 PolarHBondContact O-N 3.46Å | ||
| 182 | P | 41.6 | Very low | 53.3 | Low | 132 Ų | 132 | 137.9 Ų | 137.9 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -61.5 | 97.3 | -175.4 | 27.9 | -33.9 | 0 | 0 | 0 | 109 | A184 | P182-A184 VanDerWaalsContact C-N 3.31Å; P182-A184 PolarHBondContact O-N 2.85Å | ||
| 183 | K | 43 | Very low | 55 | Low | 140 Ų | 140 | 133.2 Ų | 133.2 | 61% | 0.609 | 72% | 0.72 | S | S | * | * | trans | -72.9 | 99.8 | 165.2 | -74.4 | 178.3 | 178.7 | 169.3 | 0 | 104.5 | E180 S181 D185 | E180-K183 WeakPolarHBondContact OE1-CE 3.45Å; E180-K183 IonicContact OE1-NZ 2.61Å; E180-K183 PolarHBondContact OE1-NZ 3.03Å; S181-K183 VanDerWaalsContact C-N 3.34Å; S181-K183 PolarHBondContact O-N 3.46Å; K183-D185 PolarHBondContact O-N 2.75Å | ||
| 184 | A | 42 | Very low | 56.6 | Low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -40.8 | 130.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | P182 V186 | P182-A184 VanDerWaalsContact C-N 3.31Å; P182-A184 PolarHBondContact O-N 2.85Å; A184-V186 PolarHBondContact O-N 2.92Å | ||
| 185 | D | 41.9 | Very low | 58.4 | Low | 158 Ų | 158 | 136.6 Ų | 136.6 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | trans | -55.4 | 84 | 177.7 | -69.7 | -54.5 | 0 | 0 | 0 | 110.7 | K183 K187 | K183-D185 PolarHBondContact O-N 2.75Å; D185-K187 PolarHBondContact O-N 3.4Å | ||
| 186 | V | 50.6 | Low | 60.2 | Low | 124 Ų | 124 | 135.7 Ų | 135.7 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -74.2 | 91.6 | 161 | -177.7 | 0 | 0 | 0 | 0 | 104.4 | A184 E188 | A184-V186 PolarHBondContact O-N 2.92Å; V186-E188 PolarHBondContact O-N 3.27Å | ||
| 187 | K | 53.2 | Low | 62 | Low | 181 Ų | 181 | 134.6 Ų | 134.6 | 79% | 0.787 | 71% | 0.714 | S | S | * | * | trans | -46.9 | 109.8 | 164.4 | -68.6 | 176.5 | -178 | 174.6 | 0 | 106.4 | D185 E189 | D185-K187 PolarHBondContact O-N 3.4Å; K187-E189 PolarHBondContact O-N 3.28Å | ||
| 188 | E | 57.2 | Low | 64.2 | Low | 178 Ų | 178 | 130.9 Ų | 130.9 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | trans | -64.3 | 89.7 | 173.9 | -68.4 | -174.9 | 169.2 | 0 | 0 | 107.2 | V186 K190 | V186-E188 PolarHBondContact O-N 3.27Å; E188-K190 PolarHBondContact O-N 3.44Å | ||
| 189 | E | 62.8 | Low | 66.3 | Low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | trans | -57.4 | 110.9 | 166.6 | -70.5 | -173.8 | 173.7 | 0 | 0 | 106.3 | K187 L191 | K187-E189 PolarHBondContact O-N 3.28Å; E189-L191 WeakPolarHBondContact O-CD1 3.36Å; E189-L191 PolarHBondContact O-N 2.69Å | ||
| 190 | K | 67.2 | Low | 68.8 | Low | 197 Ų | 197 | 130.7 Ų | 130.7 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | trans | -64.8 | 89.3 | 177.9 | -69.3 | 177.4 | -179.5 | 175.1 | 0 | 108.2 | E188 T192 | E188-K190 PolarHBondContact O-N 3.44Å; K190-T192 PolarHBondContact O-N 3.43Å; K190-T192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | L | 77.6 | Confident | 71.2 | Confident | 100 Ų | 100 | 129.4 Ų | 129.4 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | trans | -62.4 | 115.5 | 175.4 | -74.2 | 116.8 | 0 | 0 | 0 | 109.2 | E189 F193 Y202 | E189-L191 WeakPolarHBondContact O-CD1 3.36Å; E189-L191 PolarHBondContact O-N 2.69Å; L191-F193 HydrophobicContact CB-CE1 4.41Å; L191-F193 HydrophobicContact CB-CE2 4.31Å; L191-F193 HydrophobicContact CB-CZ 3.86Å; L191-F193 WeakPolarHBondContact O-CE2 3.48Å; L191-Y202 HydrophobicContact CD1-CE2 4.06Å | ||
| 192 | T | 85.3 | Confident | 73.3 | Confident | 132 Ų | 132 | 128.9 Ų | 128.9 | 81% | 0.81 | 65% | 0.645 | S | S | * | * | trans | -87.8 | 121.2 | 173.7 | 58 | 0 | 0 | 0 | 0 | 109.8 | K190 | K190-T192 PolarHBondContact O-N 3.43Å; K190-T192 VanDerWaalsContact O-N 3.15Å | ||
| 193 | F | 86.9 | Confident | 75.6 | Confident | 71 Ų | 71 | 126.6 Ų | 126.6 | 31% | 0.311 | 63% | 0.626 | S | S | . | * | trans | -93.7 | 125.3 | 177 | -56.7 | -75.7 | 0 | 0 | 0 | 110.9 | L191 A198 K199 Y202 | L191-F193 HydrophobicContact CB-CE1 4.41Å; L191-F193 HydrophobicContact CB-CE2 4.31Å; L191-F193 HydrophobicContact CB-CZ 3.86Å; L191-F193 WeakPolarHBondContact O-CE2 3.48Å; F193-A198 HydrophobicContact CD1-CB 4.08Å; F193-K199 HydrophobicContact CB-CB 3.96Å; F193-K199 HydrophobicContact CD2-CB 3.96Å; F193-K199 HydrophobicContact CD2-CG 3.91Å; F193-K199 HydrophobicContact CG-CB 3.95Å; F193-K199 HydrophobicContact CG-CG 4.41Å; F193-Y202 HydrophobicContact CE1-CD1 4.26Å; F193-Y202 AromaticContact CE1-CD2 3.94Å; F193-Y202 HydrophobicContact CE1-CD2 3.94Å; F193-Y202 AromaticContact CE1-CG 3.68Å; F193-Y202 HydrophobicContact CE1-CG 3.68Å; F193-Y202 AromaticContact CE2-CD1 3.71Å; F193-Y202 HydrophobicContact CE2-CD1 3.71Å; F193-Y202 HydrophobicContact CE2-CE1 4.16Å; F193-Y202 AromaticContact CE2-CG 4Å; F193-Y202 HydrophobicContact CE2-CG 4Å; F193-Y202 VanDerWaalsContact CZ-CB 3.48Å; F193-Y202 AromaticContact CZ-CD1 3.3Å; F193-Y202 HydrophobicContact CZ-CD1 3.3Å; F193-Y202 AromaticContact CZ-CD2 3.57Å; F193-Y202 HydrophobicContact CZ-CD2 3.57Å; F193-Y202 AromaticContact CZ-CE1 3.8Å; F193-Y202 HydrophobicContact CZ-CE1 3.8Å; F193-Y202 HydrophobicContact CZ-CE2 4.05Å; F193-Y202 AromaticContact CZ-CG 3.15Å; F193-Y202 HydrophobicContact CZ-CG 3.15Å | ||
| 194 | R | 88.3 | Confident | 77.9 | Confident | 254 Ų | 254 | 125.2 Ų | 125.2 | 96% | 0.958 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -72.8 | -32.1 | 173.4 | -71.8 | -172.2 | 173.5 | -179.8 | -1.5 | 113 | ||
| 195 | T | 93.8 | Very high | 80.1 | Confident | 78 Ų | 78 | 127.7 Ų | 127.7 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -116.6 | 144.4 | -175.8 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | L197 A198 K199 | T195-L197 PolarHBondContact O-N 2.75Å; T195-A198 PolarHBondContact O-N 3.31Å; T195-A198 WeakPolarHBondContact OG1-CB 3.32Å; T195-A198 PolarHBondContact OG1-N 3.18Å; T195-A198 VanDerWaalsContact OG1-N 3.17Å; T195-K199 PolarHBondContact O-N 3.33Å |
| 196 | K | 91.5 | Very high | 82.2 | Confident | 185 Ų | 185 | 125.2 Ų | 125.2 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.7 | -35.7 | 175 | -65.4 | -179.5 | -178.6 | 176.4 | 0 | 111.5 | K199 N200 | K196-K199 PolarHBondContact O-N 3.27Å; K196-N200 VanDerWaalsContact O-CG 3.3Å; K196-N200 PolarHBondContact O-N 3.43Å; K196-N200 PolarHBondContact O-OD1 2.85Å |
| 197 | L | 94 | Very high | 83.9 | Confident | 120 Ų | 120 | 126.7 Ų | 126.7 | 63% | 0.628 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.3 | -45.5 | 176.6 | -175.9 | 153.1 | 0 | 0 | 0 | 111.6 | T195 K199 N200 I201 | T195-L197 PolarHBondContact O-N 2.75Å; L197-K199 VanDerWaalsContact C-N 3.3Å; L197-K199 PolarHBondContact O-N 3.41Å; L197-N200 PolarHBondContact O-N 3.17Å; L197-N200 VanDerWaalsContact O-N 3.12Å; L197-I201 HydrophobicContact CD2-CD1 3.39Å; L197-I201 HydrophobicContact CD2-CG1 4.09Å; L197-I201 HydrophobicContact CG-CD1 4.41Å; L197-I201 WeakPolarHBondContact O-CG1 3.43Å; L197-I201 PolarHBondContact O-N 3.06Å |
| 198 | A | 92.3 | Very high | 85.4 | Confident | 33 Ų | 33 | 126.5 Ų | 126.5 | 27% | 0.273 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.4 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F193 T195 N200 I201 Y202 | F193-A198 HydrophobicContact CD1-CB 4.08Å; T195-A198 PolarHBondContact O-N 3.31Å; T195-A198 WeakPolarHBondContact OG1-CB 3.32Å; T195-A198 PolarHBondContact OG1-N 3.18Å; T195-A198 VanDerWaalsContact OG1-N 3.17Å; A198-N200 VanDerWaalsContact C-N 3.34Å; A198-N200 PolarHBondContact O-N 3.11Å; A198-I201 PolarHBondContact O-N 3.46Å; A198-Y202 WeakPolarHBondContact O-CB 3.24Å; A198-Y202 PolarHBondContact O-N 2.7Å |
| 199 | K | 92.1 | Very high | 86.5 | Confident | 115 Ų | 115 | 122.9 Ų | 122.9 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.1 | -41.4 | 173.8 | -170.6 | 176.1 | -178.8 | 177.7 | 0 | 112.1 | F193 T195 K196 L197 Y202 N203 | F193-K199 HydrophobicContact CB-CB 3.96Å; F193-K199 HydrophobicContact CD2-CB 3.96Å; F193-K199 HydrophobicContact CD2-CG 3.91Å; F193-K199 HydrophobicContact CG-CB 3.95Å; F193-K199 HydrophobicContact CG-CG 4.41Å; T195-K199 PolarHBondContact O-N 3.33Å; K196-K199 PolarHBondContact O-N 3.27Å; L197-K199 VanDerWaalsContact C-N 3.3Å; L197-K199 PolarHBondContact O-N 3.41Å; K199-Y202 PolarHBondContact O-N 2.82Å; K199-N203 WeakPolarHBondContact O-CB 3.28Å; K199-N203 PolarHBondContact O-N 2.96Å; K199-N203 PolarHBondContact O-ND2 3.19Å; K199-N203 PolarHBondContact O-OD1 2.66Å |
| 200 | N | 92.7 | Very high | 87.5 | Confident | 100 Ų | 100 | 119.4 Ų | 119.4 | 54% | 0.535 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.5 | -43.7 | 178.1 | -70.4 | -5.6 | 0 | 0 | 0 | 112 | K196 L197 A198 Y202 N203 V204 | K196-N200 VanDerWaalsContact O-CG 3.3Å; K196-N200 PolarHBondContact O-N 3.43Å; K196-N200 PolarHBondContact O-OD1 2.85Å; L197-N200 PolarHBondContact O-N 3.17Å; L197-N200 VanDerWaalsContact O-N 3.12Å; A198-N200 VanDerWaalsContact C-N 3.34Å; A198-N200 PolarHBondContact O-N 3.11Å; N200-Y202 VanDerWaalsContact C-N 3.33Å; N200-Y202 PolarHBondContact O-N 3.2Å; N200-N203 PolarHBondContact O-N 3.41Å; N200-V204 WeakPolarHBondContact O-CG2 3.49Å; N200-V204 PolarHBondContact O-N 2.96Å |
| 201 | I | 93.7 | Very high | 88.3 | Confident | 90 Ų | 90 | 120.1 Ų | 120.1 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.3 | -46.3 | 175.4 | -67.4 | 178.6 | 0 | 0 | 0 | 110.1 | L197 A198 N203 V204 L205 | L197-I201 HydrophobicContact CD2-CD1 3.39Å; L197-I201 HydrophobicContact CD2-CG1 4.09Å; L197-I201 HydrophobicContact CG-CD1 4.41Å; L197-I201 WeakPolarHBondContact O-CG1 3.43Å; L197-I201 PolarHBondContact O-N 3.06Å; A198-I201 PolarHBondContact O-N 3.46Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-N203 PolarHBondContact O-N 2.77Å; I201-V204 PolarHBondContact O-N 3.4Å; I201-V204 VanDerWaalsContact O-N 3.15Å; I201-L205 HydrophobicContact CG2-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CG 4.2Å; I201-L205 WeakPolarHBondContact O-CG 3.45Å; I201-L205 PolarHBondContact O-N 2.9Å |
| 202 | Y | 92.4 | Very high | 88.5 | Confident | 73 Ų | 73 | 120.8 Ų | 120.8 | 29% | 0.286 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.4 | -43.2 | 177.5 | -178.6 | -100.1 | 0 | 0 | 0 | 112.1 | L191 F193 A198 K199 N200 V204 L205 Q206 | L191-Y202 HydrophobicContact CD1-CE2 4.06Å; F193-Y202 HydrophobicContact CE1-CD1 4.26Å; F193-Y202 AromaticContact CE1-CD2 3.94Å; F193-Y202 HydrophobicContact CE1-CD2 3.94Å; F193-Y202 AromaticContact CE1-CG 3.68Å; F193-Y202 HydrophobicContact CE1-CG 3.68Å; F193-Y202 AromaticContact CE2-CD1 3.71Å; F193-Y202 HydrophobicContact CE2-CD1 3.71Å; F193-Y202 HydrophobicContact CE2-CE1 4.16Å; F193-Y202 AromaticContact CE2-CG 4Å; F193-Y202 HydrophobicContact CE2-CG 4Å; F193-Y202 VanDerWaalsContact CZ-CB 3.48Å; F193-Y202 AromaticContact CZ-CD1 3.3Å; F193-Y202 HydrophobicContact CZ-CD1 3.3Å; F193-Y202 AromaticContact CZ-CD2 3.57Å; F193-Y202 HydrophobicContact CZ-CD2 3.57Å; F193-Y202 AromaticContact CZ-CE1 3.8Å; F193-Y202 HydrophobicContact CZ-CE1 3.8Å; F193-Y202 HydrophobicContact CZ-CE2 4.05Å; F193-Y202 AromaticContact CZ-CG 3.15Å; F193-Y202 HydrophobicContact CZ-CG 3.15Å; A198-Y202 WeakPolarHBondContact O-CB 3.24Å; A198-Y202 PolarHBondContact O-N 2.7Å; K199-Y202 PolarHBondContact O-N 2.82Å; N200-Y202 VanDerWaalsContact C-N 3.33Å; N200-Y202 PolarHBondContact O-N 3.2Å; Y202-V204 VanDerWaalsContact C-N 3.31Å; Y202-V204 PolarHBondContact O-N 3.26Å; Y202-L205 PolarHBondContact O-N 2.89Å; Y202-Q206 HydrophobicContact CD1-CG 3.98Å; Y202-Q206 HydrophobicContact CD2-CG 4.12Å; Y202-Q206 HydrophobicContact CE1-CG 3.63Å; Y202-Q206 HydrophobicContact CE2-CG 3.76Å; Y202-Q206 HydrophobicContact CG-CG 4.23Å; Y202-Q206 VanDerWaalsContact CZ-NE2 3.26Å; Y202-Q206 WeakPolarHBondContact O-CB 3.5Å; Y202-Q206 VanDerWaalsContact O-CG 3.29Å; Y202-Q206 WeakPolarHBondContact O-CG 3.44Å; Y202-Q206 PolarHBondContact O-N 2.92Å; Y202-Q206 PolarHBondContact OH-NE2 3.39Å |
| 203 | N | 89 | Confident | 88.5 | Confident | 85 Ų | 85 | 118.4 Ų | 118.4 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.8 | -37.5 | 176.4 | -69.3 | -13.2 | 0 | 0 | 0 | 112.5 | K199 N200 I201 Y207 | K199-N203 WeakPolarHBondContact O-CB 3.28Å; K199-N203 PolarHBondContact O-N 2.96Å; K199-N203 PolarHBondContact O-ND2 3.19Å; K199-N203 PolarHBondContact O-OD1 2.66Å; N200-N203 PolarHBondContact O-N 3.41Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-N203 PolarHBondContact O-N 2.77Å; N203-Y207 PolarHBondContact O-N 3.16Å |
| 204 | V | 90.6 | Very high | 88.4 | Confident | 110 Ų | 110 | 119.6 Ų | 119.6 | 67% | 0.667 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.2 | -41.3 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111 | N200 I201 Y202 Y207 | N200-V204 WeakPolarHBondContact O-CG2 3.49Å; N200-V204 PolarHBondContact O-N 2.96Å; I201-V204 PolarHBondContact O-N 3.4Å; I201-V204 VanDerWaalsContact O-N 3.15Å; Y202-V204 VanDerWaalsContact C-N 3.31Å; Y202-V204 PolarHBondContact O-N 3.26Å; V204-Y207 VanDerWaalsContact O-CB 3.26Å; V204-Y207 WeakPolarHBondContact O-CB 3.47Å; V204-Y207 PolarHBondContact O-N 3.02Å |
| 205 | L | 89.8 | Confident | 88.2 | Confident | 135 Ų | 135 | 109.7 Ų | 109.7 | 71% | 0.707 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70 | -37.2 | 178.7 | -69.2 | 174.4 | 0 | 0 | 0 | 112.5 | I201 Y202 Y207 | I201-L205 HydrophobicContact CG2-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CG 4.2Å; I201-L205 WeakPolarHBondContact O-CG 3.45Å; I201-L205 PolarHBondContact O-N 2.9Å; Y202-L205 PolarHBondContact O-N 2.89Å; L205-Y207 PolarHBondContact O-N 2.97Å |
| 206 | Q | 85.9 | Confident | 87.8 | Confident | 105 Ų | 105 | 112.5 Ų | 112.5 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -5.7 | 176.3 | -67.8 | -68.9 | 16.9 | 0 | 0 | 113.3 | Y202 K208 | Y202-Q206 HydrophobicContact CD1-CG 3.98Å; Y202-Q206 HydrophobicContact CD2-CG 4.12Å; Y202-Q206 HydrophobicContact CE1-CG 3.63Å; Y202-Q206 HydrophobicContact CE2-CG 3.76Å; Y202-Q206 HydrophobicContact CG-CG 4.23Å; Y202-Q206 VanDerWaalsContact CZ-NE2 3.26Å; Y202-Q206 WeakPolarHBondContact O-CB 3.5Å; Y202-Q206 VanDerWaalsContact O-CG 3.29Å; Y202-Q206 WeakPolarHBondContact O-CG 3.44Å; Y202-Q206 PolarHBondContact O-N 2.92Å; Y202-Q206 PolarHBondContact OH-NE2 3.39Å; Q206-K208 PolarHBondContact O-N 3.16Å |
| 207 | Y | 86.3 | Confident | 87.4 | Confident | 156 Ų | 156 | 105.4 Ų | 105.4 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | trans | -64.5 | 106.9 | 176.4 | -179.7 | -100.5 | 0 | 0 | 0 | 109.8 | N203 V204 L205 P209 P210 | N203-Y207 PolarHBondContact O-N 3.16Å; V204-Y207 VanDerWaalsContact O-CB 3.26Å; V204-Y207 WeakPolarHBondContact O-CB 3.47Å; V204-Y207 PolarHBondContact O-N 3.02Å; L205-Y207 PolarHBondContact O-N 2.97Å; Y207-P209 HydrophobicContact CE1-CB 4.49Å; Y207-P210 WeakPolarHBondContact OH-CD 3.2Å | ||
| 208 | K | 83.4 | Confident | 86.9 | Confident | 176 Ų | 176 | 103.2 Ų | 103.2 | 77% | 0.765 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -79 | 120.1 | 169.2 | -67.9 | 179 | -177.4 | 174.2 | 0 | 108.1 | Q206 | Q206-K208 PolarHBondContact O-N 3.16Š|
| 209 | P | 81.8 | Confident | 86.4 | Confident | 102 Ų | 102 | 108.4 Ų | 108.4 | 66% | 0.662 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -60 | 145.5 | 177.8 | 25.7 | -33.4 | 0 | 0 | 0 | 110.1 | Y207 | Y207-P209 HydrophobicContact CE1-CB 4.49Š|
| 210 | P | 83.9 | Confident | 86.2 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 146.4 | 177.7 | 26.5 | -34.3 | 0 | 0 | 0 | 110.2 | Y207 V212 | Y207-P210 WeakPolarHBondContact OH-CD 3.2Å; P210-V212 PolarHBondContact O-N 3.37Å |
| 211 | K | 82.9 | Confident | 86.1 | Confident | 212 Ų | 212 | 102 Ų | 102 | 92% | 0.922 | 51% | 0.51 | S | S | * | . | trans | -59.5 | 113.8 | 176.3 | -173.3 | 175.7 | -178.5 | 176.9 | 0 | 109.2 | ||||
| 212 | V | 82.9 | Confident | 85.9 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 69% | 0.691 | 50% | 0.499 | S | S | * | . | trans | -77 | 130.4 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | P210 E214 | P210-V212 PolarHBondContact O-N 3.37Å; V212-E214 PolarHBondContact O-N 3Å | ||
| 213 | N | 85.2 | Confident | 85.8 | Confident | 81 Ų | 81 | 102.3 Ų | 102.3 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | trans | -68.1 | 123.1 | 173 | 178.1 | 8.1 | 0 | 0 | 0 | 108.9 | L215 F216 | N213-L215 PolarHBondContact O-N 3.39Å; N213-L215 VanDerWaalsContact O-N 3.14Å; N213-L215 PolarHBondContact OD1-N 3.22Å; N213-F216 HydrophobicContact CB-CD2 3.74Å; N213-F216 HydrophobicContact CB-CE2 3.92Å; N213-F216 PolarHBondContact O-N 2.87Å; N213-F216 VanDerWaalsContact O-N 3.1Å | ||
| 214 | E | 84.2 | Confident | 85.7 | Confident | 97 Ų | 97 | 100.7 Ų | 100.7 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -64.4 | -21.6 | -174.1 | -51.5 | -179.5 | 155.8 | 0 | 0 | 113.2 | V212 F216 A217 R220 K246 | V212-E214 PolarHBondContact O-N 3Å; E214-F216 PolarHBondContact O-N 3.5Å; E214-A217 WeakPolarHBondContact O-CB 3.47Å; E214-A217 PolarHBondContact O-N 3.18Å; E214-R220 WeakPolarHBondContact O-CD 3.36Å; E214-R220 IonicContact OE2-CZ 3.75Å; E214-R220 IonicContact OE2-NH1 2.91Å; E214-R220 PolarHBondContact OE2-NH1 3.27Å; E214-R220 IonicContact OE2-NH2 3.67Å; E214-K246 IonicContact OE1-NZ 2.82Å; E214-K246 PolarHBondContact OE1-NZ 3.33Å; E214-K246 WeakPolarHBondContact OE2-CE 3.45Å; E214-K246 IonicContact OE2-NZ 2.7Å; E214-K246 PolarHBondContact OE2-NZ 3.34Å |
| 215 | L | 84.9 | Confident | 85.5 | Confident | 46 Ų | 46 | 99.2 Ų | 99.2 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -61.5 | -25 | 176.2 | -61.1 | 179.9 | 0 | 0 | 0 | 112.7 | N213 A217 M221 L243 | N213-L215 PolarHBondContact O-N 3.39Å; N213-L215 VanDerWaalsContact O-N 3.14Å; N213-L215 PolarHBondContact OD1-N 3.22Å; L215-A217 PolarHBondContact O-N 3.02Å; L215-M221 HydrophobicContact CB-CE 3.56Å; L215-M221 HydrophobicContact CD1-CE 3.71Å; L215-M221 HydrophobicContact CG-CE 4.23Å; L215-M221 VanDerWaalsContact O-CB 3.23Å; L215-M221 WeakPolarHBondContact O-CB 3.47Å; L215-M221 PolarHBondContact O-N 2.93Å; L215-L243 HydrophobicContact CD1-CD2 4.37Å; L215-L243 HydrophobicContact CD2-CD2 3.56Å |
| 216 | F | 85 | Confident | 85.1 | Confident | 137 Ų | 137 | 97.7 Ų | 97.7 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -87.6 | 11.1 | 174.4 | -56.4 | -62.7 | 0 | 0 | 0 | 112.9 | N213 E214 M221 | N213-F216 HydrophobicContact CB-CD2 3.74Å; N213-F216 HydrophobicContact CB-CE2 3.92Å; N213-F216 PolarHBondContact O-N 2.87Å; N213-F216 VanDerWaalsContact O-N 3.1Å; E214-F216 PolarHBondContact O-N 3.5Å; F216-M221 HydrophobicContact CE1-CE 4.38Å; F216-M221 HydrophobicContact CE1-SD 4.26Å |
| 217 | A | 82.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 100.1 Ų | 100.1 | 30% | 0.298 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -56.2 | 142.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | E214 L215 R219 R220 | E214-A217 WeakPolarHBondContact O-CB 3.47Å; E214-A217 PolarHBondContact O-N 3.18Å; L215-A217 PolarHBondContact O-N 3.02Å; A217-R219 PolarHBondContact O-N 3.16Å; A217-R220 HydrophobicContact CB-CB 3.99Å; A217-R220 WeakPolarHBondContact O-CB 3.43Å; A217-R220 PolarHBondContact O-N 2.82Å |
| 218 | P | 82.3 | Confident | 84.1 | Confident | 74 Ų | 74 | 94.7 Ų | 94.7 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 129.9 | 179.9 | -25.5 | 32.7 | 0 | 0 | 0 | 110.5 | R220 | P218-R220 PolarHBondContact O-N 3.31Š|
| 219 | R | 82 | Confident | 83.1 | Confident | 141 Ų | 141 | 95.6 Ų | 95.6 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 4.4 | -178.5 | -53.4 | 179.9 | 177.7 | -177.4 | -0.8 | 115.2 | A217 R244 C249 | A217-R219 PolarHBondContact O-N 3.16Å; R219-R244 PolarHBondContact O-NE 3.01Å; R219-R244 PolarHBondContact O-NH2 3.01Å; R219-C249 VanDerWaalsContact C-SG 3.54Å; R219-C249 PolarHBondContact O-SG 2.97Å |
| 220 | R | 88 | Confident | 82.2 | Confident | 39 Ų | 39 | 97.8 Ų | 97.8 | 15% | 0.147 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -50.8 | 179.7 | -171.3 | 170.3 | -179.8 | -177.9 | -6.6 | 113.5 | E214 A217 P218 L243 R244 K246 C249 | E214-R220 WeakPolarHBondContact O-CD 3.36Å; E214-R220 IonicContact OE2-CZ 3.75Å; E214-R220 IonicContact OE2-NH1 2.91Å; E214-R220 PolarHBondContact OE2-NH1 3.27Å; E214-R220 IonicContact OE2-NH2 3.67Å; A217-R220 HydrophobicContact CB-CB 3.99Å; A217-R220 WeakPolarHBondContact O-CB 3.43Å; A217-R220 PolarHBondContact O-N 2.82Å; P218-R220 PolarHBondContact O-N 3.31Å; R220-L243 WeakPolarHBondContact O-CA 2.78Å; R220-R244 WeakPolarHBondContact CG-O 3.38Å; R220-R244 PolarHBondContact O-N 3.04Å; R220-K246 VanDerWaalsContact NH1-CE 3.33Å; R220-C249 VanDerWaalsContact CA-SG 3.51Å |
| 221 | M | 90.3 | Very high | 80.9 | Confident | 43 Ų | 43 | 98 Ų | 98 | 21% | 0.212 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.4 | 172.4 | -172.8 | -175 | -65.3 | 0 | 0 | 109.6 | L215 F216 Y223 V241 L242 | L215-M221 HydrophobicContact CB-CE 3.56Å; L215-M221 HydrophobicContact CD1-CE 3.71Å; L215-M221 HydrophobicContact CG-CE 4.23Å; L215-M221 VanDerWaalsContact O-CB 3.23Å; L215-M221 WeakPolarHBondContact O-CB 3.47Å; L215-M221 PolarHBondContact O-N 2.93Å; F216-M221 HydrophobicContact CE1-CE 4.38Å; F216-M221 HydrophobicContact CE1-SD 4.26Å; M221-Y223 HydrophobicContact SD-CE2 4.28Å; M221-Y223 PolarHBondContact SD-OH 2.97Å; M221-Y223 VanDerWaalsContact SD-OH 3.4Å; M221-V241 HydrophobicContact CG-CG1 3.61Å; M221-V241 HydrophobicContact SD-CG1 4.03Å; M221-L242 CarbonylContact C-O 3.57Å; M221-L242 WeakPolarHBondContact CA-O 3.43Å |
| 222 | A | 89.9 | Confident | 79.8 | Confident | 28 Ų | 28 | 97.8 Ų | 97.8 | 23% | 0.231 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | V241 L242 | A222-V241 CarbonylContact O-C 3.58Å; A222-L242 HydrophobicContact CB-CB 4.32Å; A222-L242 PolarHBondContact N-O 3.1Å; A222-L242 PolarHBondContact O-N 3.05Å |
| 223 | Y | 90.3 | Very high | 78.8 | Confident | 140 Ų | 140 | 94.3 Ų | 94.3 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.6 | 174.4 | -64.1 | -81.5 | 0 | 0 | 0 | 108.2 | M221 P239 T240 V241 | M221-Y223 HydrophobicContact SD-CE2 4.28Å; M221-Y223 PolarHBondContact SD-OH 2.97Å; M221-Y223 VanDerWaalsContact SD-OH 3.4Å; Y223-P239 HydrophobicContact CD1-CB 4.14Å; Y223-P239 HydrophobicContact CD1-CG 4.31Å; Y223-T240 CarbonylContact C-O 3.56Å; Y223-T240 WeakPolarHBondContact CA-O 3.18Å; Y223-V241 HydrophobicContact CD1-CG2 3.9Å; Y223-V241 HydrophobicContact CE1-CG1 4.33Å; Y223-V241 HydrophobicContact CE1-CG2 3.67Å |
| 224 | V | 87.8 | Confident | 77.6 | Confident | 51 Ų | 51 | 98.1 Ų | 98.1 | 31% | 0.309 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.7 | 172.4 | 177.4 | 0 | 0 | 0 | 0 | 106.7 | P239 T240 L242 | V224-P239 CarbonylContact O-C 3.56Å; V224-P239 WeakPolarHBondContact O-CA 3.35Å; V224-T240 PolarHBondContact N-O 3.27Å; V224-T240 PolarHBondContact O-N 2.97Å; V224-L242 HydrophobicContact CG2-CD1 3.24Å; V224-L242 HydrophobicContact CG2-CD2 4.46Å; V224-L242 HydrophobicContact CG2-CG 3.55Å |
| 225 | V | 85.4 | Confident | 76.5 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | trans | -107.2 | 114.2 | 173.2 | -179 | 0 | 0 | 0 | 0 | 105.4 | L227 P239 | V225-L227 HydrophobicContact CG1-CD2 3.68Å; V225-L227 HydrophobicContact CG1-CG 4.27Å; V225-L227 PolarHBondContact O-N 3.02Å; V225-P239 HydrophobicContact CG2-CB 3.93Å | ||
| 226 | D | 81.4 | Confident | 75.5 | Confident | 102 Ų | 102 | 99.2 Ų | 99.2 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | trans | -78.8 | 116.1 | 173.7 | -64.4 | -34.6 | 0 | 0 | 0 | 107.5 | G228 | D226-G228 VanDerWaalsContact C-N 3.3Š| ||
| 227 | L | 77.4 | Confident | 74.9 | Confident | 157 Ų | 157 | 100 Ų | 100 | 82% | 0.822 | 54% | 0.54 | S | S | * | . | trans | -98.6 | 27.7 | -177.9 | -61.8 | 174.1 | 0 | 0 | 0 | 111.2 | V225 Q229 | V225-L227 HydrophobicContact CG1-CD2 3.68Å; V225-L227 HydrophobicContact CG1-CG 4.27Å; V225-L227 PolarHBondContact O-N 3.02Å; L227-Q229 PolarHBondContact O-N 3.4Å | ||
| 228 | G | 73.8 | Confident | 74.7 | Confident | 42 Ų | 42 | 101.8 Ų | 101.8 | 43% | 0.433 | 54% | 0.544 | S | S | . | . | trans | -58.1 | 130.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D226 D230 | D226-G228 VanDerWaalsContact C-N 3.3Å; G228-D230 PolarHBondContact O-N 3.3Å | ||
| 229 | Q | 62 | Low | 74.8 | Confident | 194 Ų | 194 | 100.9 Ų | 100.9 | 91% | 0.907 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.8 | -179.9 | -147.8 | 169.2 | -2.3 | 0 | 0 | 112.4 | L227 | L227-Q229 PolarHBondContact O-N 3.4Š|
| 230 | D | 63 | Low | 74.9 | Confident | 148 Ų | 148 | 97.7 Ų | 97.7 | 79% | 0.791 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -1.1 | -168.4 | -53.7 | -29.8 | 0 | 0 | 0 | 113.3 | G228 E232 | G228-D230 PolarHBondContact O-N 3.3Å; D230-E232 PolarHBondContact O-N 2.89Å; D230-E232 VanDerWaalsContact O-N 3.07Å |
| 231 | D | 57.4 | Low | 75 | Confident | 97 Ų | 97 | 99 Ų | 99 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | trans | -85.4 | 81.4 | -179.3 | -62.3 | -41.9 | 0 | 0 | 0 | 110.1 | G233 | D231-G233 PolarHBondContact O-N 3.14Š| ||
| 232 | E | 60 | Low | 75 | Confident | 207 Ų | 207 | 101.2 Ų | 101.2 | 97% | 0.967 | 56% | 0.559 | S | S | * | * | trans | -63.8 | 2.7 | 163.5 | -86 | -178.8 | 153.9 | 0 | 0 | 112.9 | D230 | D230-E232 PolarHBondContact O-N 2.89Å; D230-E232 VanDerWaalsContact O-N 3.07Å | ||
| 233 | G | 61.4 | Low | 75 | Confident | 40 Ų | 40 | 104.9 Ų | 104.9 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -85.9 | 137.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D231 D235 | D231-G233 PolarHBondContact O-N 3.14Å; G233-D235 PolarHBondContact O-N 3.4Å |
| 234 | N | 59.4 | Low | 74.8 | Confident | 161 Ų | 161 | 103.1 Ų | 103.1 | 86% | 0.861 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 13.7 | -179 | -124.8 | 27.4 | 0 | 0 | 0 | 116.1 | ||
| 235 | D | 62.3 | Low | 74.8 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 64% | 0.642 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -9.9 | -171.5 | -61.9 | -36.2 | 0 | 0 | 0 | 113.2 | G233 D237 I238 | G233-D235 PolarHBondContact O-N 3.4Å; D235-D237 PolarHBondContact O-N 3.03Å; D235-D237 VanDerWaalsContact O-N 3.12Å; D235-I238 PolarHBondContact O-N 3.12Å; D235-I238 VanDerWaalsContact O-N 3.11Å |
| 236 | A | 64.5 | Low | 74.8 | Confident | 47 Ų | 47 | 103.5 Ų | 103.5 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.5 | -24.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 237 | D | 71.7 | Confident | 74.8 | Confident | 152 Ų | 152 | 107.5 Ų | 107.5 | 81% | 0.813 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -9.3 | -179.1 | -76.1 | -16.5 | 0 | 0 | 0 | 113.8 | D235 P239 | D235-D237 PolarHBondContact O-N 3.03Å; D235-D237 VanDerWaalsContact O-N 3.12Å; D237-P239 VanDerWaalsContact O-CD 3.3Å; D237-P239 WeakPolarHBondContact O-CD 3.12Å |
| 238 | I | 78.1 | Confident | 74.7 | Confident | 74 Ų | 74 | 106.3 Ų | 106.3 | 38% | 0.379 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -104.7 | 105.2 | -173.4 | -61.9 | 163.3 | 0 | 0 | 0 | 109.7 | D235 T240 F498 | D235-I238 PolarHBondContact O-N 3.12Å; D235-I238 VanDerWaalsContact O-N 3.11Å; I238-T240 PolarHBondContact O-N 3.39Å; I238-F498 HydrophobicContact CB-CE2 4.33Å; I238-F498 HydrophobicContact CD1-CE2 3.74Å; I238-F498 HydrophobicContact CD1-CZ 4.1Å; I238-F498 HydrophobicContact CG1-CE2 3.97Å; I238-F498 HydrophobicContact CG2-CD2 4.2Å; I238-F498 HydrophobicContact CG2-CE2 3.39Å; I238-F498 HydrophobicContact CG2-CZ 4.05Å |
| 239 | P | 84 | Confident | 74.5 | Confident | 55 Ų | 55 | 104.7 Ų | 104.7 | 36% | 0.357 | 55% | 0.551 | S | S | . | * | trans | -67 | 131.2 | 174.8 | 25 | -32.1 | 0 | 0 | 0 | 111.4 | Y223 V224 V225 D237 | Y223-P239 HydrophobicContact CD1-CB 4.14Å; Y223-P239 HydrophobicContact CD1-CG 4.31Å; V224-P239 CarbonylContact O-C 3.56Å; V224-P239 WeakPolarHBondContact O-CA 3.35Å; V225-P239 HydrophobicContact CG2-CB 3.93Å; D237-P239 VanDerWaalsContact O-CD 3.3Å; D237-P239 WeakPolarHBondContact O-CD 3.12Å | ||
| 240 | T | 84.7 | Confident | 74.8 | Confident | 74 Ų | 74 | 99.3 Ų | 99.3 | 45% | 0.454 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130.2 | 171.9 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | Y223 V224 I238 | Y223-T240 CarbonylContact C-O 3.56Å; Y223-T240 WeakPolarHBondContact CA-O 3.18Å; V224-T240 PolarHBondContact N-O 3.27Å; V224-T240 PolarHBondContact O-N 2.97Å; I238-T240 PolarHBondContact O-N 3.39Å |
| 241 | V | 90.8 | Very high | 74.9 | Confident | 67 Ų | 67 | 97.6 Ų | 97.6 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.1 | 179.3 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | M221 A222 Y223 L243 | M221-V241 HydrophobicContact CG-CG1 3.61Å; M221-V241 HydrophobicContact SD-CG1 4.03Å; A222-V241 CarbonylContact O-C 3.58Å; Y223-V241 HydrophobicContact CD1-CG2 3.9Å; Y223-V241 HydrophobicContact CE1-CG1 4.33Å; Y223-V241 HydrophobicContact CE1-CG2 3.67Å; V241-L243 HydrophobicContact CB-CD1 4.32Å; V241-L243 HydrophobicContact CG1-CD1 3.69Å |
| 242 | L | 88.7 | Confident | 75.2 | Confident | 89 Ų | 89 | 99.8 Ų | 99.8 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126 | 171 | -65.9 | -174.9 | 0 | 0 | 0 | 110.9 | M221 A222 V224 | M221-L242 CarbonylContact C-O 3.57Å; M221-L242 WeakPolarHBondContact CA-O 3.43Å; A222-L242 HydrophobicContact CB-CB 4.32Å; A222-L242 PolarHBondContact N-O 3.1Å; A222-L242 PolarHBondContact O-N 3.05Å; V224-L242 HydrophobicContact CG2-CD1 3.24Å; V224-L242 HydrophobicContact CG2-CD2 4.46Å; V224-L242 HydrophobicContact CG2-CG 3.55Å |
| 243 | L | 90.2 | Very high | 75 | Confident | 105 Ų | 105 | 98 Ų | 98 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.4 | 174.8 | -74.6 | 86 | 0 | 0 | 0 | 110 | L215 R220 V241 | L215-L243 HydrophobicContact CD1-CD2 4.37Å; L215-L243 HydrophobicContact CD2-CD2 3.56Å; R220-L243 WeakPolarHBondContact O-CA 2.78Å; V241-L243 HydrophobicContact CB-CD1 4.32Å; V241-L243 HydrophobicContact CG1-CD1 3.69Å |
| 244 | R | 87.8 | Confident | 74.9 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | trans | -85.1 | 155.6 | 172.5 | -75.6 | -172.4 | -77.3 | -113.4 | -10.9 | 112.1 | R219 R220 | R219-R244 PolarHBondContact O-NE 3.01Å; R219-R244 PolarHBondContact O-NH2 3.01Å; R220-R244 WeakPolarHBondContact CG-O 3.38Å; R220-R244 PolarHBondContact O-N 3.04Å | ||
| 245 | S | 87.3 | Confident | 74.9 | Confident | 44 Ų | 44 | 98.3 Ų | 98.3 | 31% | 0.308 | 51% | 0.509 | S | S | . | . | trans | -64.2 | 156.3 | 174.2 | 78.5 | 0 | 0 | 0 | 0 | 110.8 | Q247 E248 C249 | S245-Q247 PolarHBondContact O-N 2.9Å; S245-E248 PolarHBondContact O-N 3.5Å; S245-E248 WeakPolarHBondContact OG-CB 3.25Å; S245-E248 VanDerWaalsContact OG-CG 3.27Å; S245-E248 WeakPolarHBondContact OG-CG 3.34Å; S245-E248 PolarHBondContact OG-N 3.32Å; S245-E248 PolarHBondContact OG-OE1 2.85Å; S245-C249 PolarHBondContact O-SG 3.5Å | ||
| 246 | K | 84.3 | Confident | 74.8 | Confident | 94 Ų | 94 | 99.5 Ų | 99.5 | 41% | 0.409 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -31.8 | 176.6 | -70.9 | -176.5 | -178.1 | -162.9 | 0 | 112.5 | E214 R220 | E214-K246 IonicContact OE1-NZ 2.82Å; E214-K246 PolarHBondContact OE1-NZ 3.33Å; E214-K246 WeakPolarHBondContact OE2-CE 3.45Å; E214-K246 IonicContact OE2-NZ 2.7Å; E214-K246 PolarHBondContact OE2-NZ 3.34Å; R220-K246 VanDerWaalsContact NH1-CE 3.33Å |
| 247 | Q | 81.7 | Confident | 74.9 | Confident | 186 Ų | 186 | 99.7 Ų | 99.7 | 87% | 0.869 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -28.3 | -173 | -66.2 | 174.4 | -25.1 | 0 | 0 | 111.9 | S245 | S245-Q247 PolarHBondContact O-N 2.9Š|
| 248 | E | 75.4 | Confident | 74.8 | Confident | 132 Ų | 132 | 96.7 Ų | 96.7 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.4 | 179 | -73.5 | 160.7 | -129.4 | 0 | 0 | 113.9 | S245 P250 | S245-E248 PolarHBondContact O-N 3.5Å; S245-E248 WeakPolarHBondContact OG-CB 3.25Å; S245-E248 VanDerWaalsContact OG-CG 3.27Å; S245-E248 WeakPolarHBondContact OG-CG 3.34Å; S245-E248 PolarHBondContact OG-N 3.32Å; S245-E248 PolarHBondContact OG-OE1 2.85Å; E248-P250 WeakPolarHBondContact O-CD 3.24Å |
| 249 | C | 69.4 | Low | 74.6 | Confident | 8 Ų | 8 | 95.9 Ų | 95.9 | 5% | 0.054 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -90.2 | 113.2 | 173.6 | -63 | 0 | 0 | 0 | 0 | 107.7 | R219 R220 S245 M251 | R219-C249 VanDerWaalsContact C-SG 3.54Å; R219-C249 PolarHBondContact O-SG 2.97Å; R220-C249 VanDerWaalsContact CA-SG 3.51Å; S245-C249 PolarHBondContact O-SG 3.5Å; C249-M251 PolarHBondContact O-N 2.92Å |
| 250 | P | 68.4 | Low | 74.5 | Confident | 82 Ų | 82 | 97.5 Ų | 97.5 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | trans | -59.7 | 103.3 | 176.1 | 24.1 | -32.1 | 0 | 0 | 0 | 107.8 | E248 K252 | E248-P250 WeakPolarHBondContact O-CD 3.24Å; P250-K252 PolarHBondContact O-N 3.36Å | ||
| 251 | M | 64.6 | Low | 74.4 | Confident | 112 Ų | 112 | 98.2 Ų | 98.2 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | trans | -58.2 | 126.3 | 168.8 | -66.9 | -141 | 179.6 | 0 | 0 | 105.1 | C249 E253 | C249-M251 PolarHBondContact O-N 2.92Å; M251-E253 PolarHBondContact O-N 3.39Å | ||
| 252 | K | 63.9 | Low | 74.2 | Confident | 143 Ų | 143 | 99.1 Ų | 99.1 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | trans | -42.9 | 137.1 | -171.3 | -71 | 170 | 172.5 | 170.4 | 0 | 109.1 | P250 V254 E255 | P250-K252 PolarHBondContact O-N 3.36Å; K252-V254 HydrophobicContact CB-CB 4.05Å; K252-V254 HydrophobicContact CB-CG2 3.69Å; K252-V254 HydrophobicContact CD-CG2 4.33Å; K252-V254 WeakPolarHBondContact O-CA 3.29Å; K252-V254 PolarHBondContact O-N 3.22Å; K252-E255 PolarHBondContact O-N 2.77Å | ||
| 253 | E | 56.6 | Low | 74.2 | Confident | 169 Ų | 169 | 98.3 Ų | 98.3 | 79% | 0.79 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.9 | -12 | 167.9 | -61.8 | 166.5 | 167.7 | 0 | 0 | 114.6 | M251 E255 M256 S257 | M251-E253 PolarHBondContact O-N 3.39Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 3.2Å; E253-M256 PolarHBondContact O-N 2.97Å; E253-S257 PolarHBondContact O-N 3.19Å |
| 254 | V | 58.6 | Low | 74.2 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 47% | 0.473 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -49.7 | -44.4 | 170.4 | 179.7 | 0 | 0 | 0 | 0 | 112.7 | K252 M256 S257 I258 | K252-V254 HydrophobicContact CB-CB 4.05Å; K252-V254 HydrophobicContact CB-CG2 3.69Å; K252-V254 HydrophobicContact CD-CG2 4.33Å; K252-V254 WeakPolarHBondContact O-CA 3.29Å; K252-V254 PolarHBondContact O-N 3.22Å; V254-M256 PolarHBondContact O-N 3.41Å; V254-S257 WeakPolarHBondContact CA-OG 3.18Å; V254-S257 PolarHBondContact O-N 3.06Å; V254-S257 PolarHBondContact O-OG 2.99Å; V254-I258 HydrophobicContact CG1-CD1 3.95Å; V254-I258 HydrophobicContact CG1-CG1 4.49Å; V254-I258 VanDerWaalsContact O-CG1 3.27Å; V254-I258 WeakPolarHBondContact O-CG1 3.2Å; V254-I258 PolarHBondContact O-N 3.29Å |
| 255 | E | 60.3 | Low | 74.3 | Confident | 130 Ų | 130 | 96.1 Ų | 96.1 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | -179.8 | -70.7 | -176.9 | -179.5 | 0 | 0 | 111.9 | K252 E253 S257 I258 A259 | K252-E255 PolarHBondContact O-N 2.77Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 3.2Å; E255-S257 PolarHBondContact O-N 3.31Å; E255-I258 PolarHBondContact O-N 3.25Å; E255-A259 PolarHBondContact O-N 2.91Å |
| 256 | M | 60.6 | Low | 74.6 | Confident | 145 Ų | 145 | 100.6 Ų | 100.6 | 71% | 0.714 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -38.2 | 174 | -66.5 | 176.2 | 58.5 | 0 | 0 | 111.8 | E253 V254 I258 A259 V260 | E253-M256 PolarHBondContact O-N 2.97Å; V254-M256 PolarHBondContact O-N 3.41Å; M256-I258 VanDerWaalsContact C-N 3.31Å; M256-I258 PolarHBondContact O-N 3.45Å; M256-A259 PolarHBondContact O-N 2.94Å; M256-V260 WeakPolarHBondContact O-CG2 3.21Å; M256-V260 PolarHBondContact O-N 3.25Å; M256-V260 VanDerWaalsContact O-N 3.12Å |
| 257 | S | 65.2 | Low | 74.9 | Confident | 51 Ų | 51 | 102.5 Ų | 102.5 | 36% | 0.357 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.7 | -30 | 178.6 | 75 | 0 | 0 | 0 | 0 | 113.2 | E253 V254 E255 V260 N261 | E253-S257 PolarHBondContact O-N 3.19Å; V254-S257 WeakPolarHBondContact CA-OG 3.18Å; V254-S257 PolarHBondContact O-N 3.06Å; V254-S257 PolarHBondContact O-OG 2.99Å; E255-S257 PolarHBondContact O-N 3.31Å; S257-V260 PolarHBondContact O-N 3.09Å; S257-N261 WeakPolarHBondContact O-CB 3.43Å; S257-N261 PolarHBondContact O-N 3.46Å; S257-N261 PolarHBondContact O-ND2 2.94Å |
| 258 | I | 69.9 | Low | 75.4 | Confident | 88 Ų | 88 | 98.4 Ų | 98.4 | 45% | 0.451 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 177.2 | -66.7 | 161 | 0 | 0 | 0 | 109.9 | V254 E255 M256 V260 N261 D262 | V254-I258 HydrophobicContact CG1-CD1 3.95Å; V254-I258 HydrophobicContact CG1-CG1 4.49Å; V254-I258 VanDerWaalsContact O-CG1 3.27Å; V254-I258 WeakPolarHBondContact O-CG1 3.2Å; V254-I258 PolarHBondContact O-N 3.29Å; E255-I258 PolarHBondContact O-N 3.25Å; M256-I258 VanDerWaalsContact C-N 3.31Å; M256-I258 PolarHBondContact O-N 3.45Å; I258-V260 VanDerWaalsContact C-N 3.34Å; I258-V260 PolarHBondContact O-N 2.99Å; I258-N261 PolarHBondContact O-N 3.22Å; I258-D262 PolarHBondContact O-N 3.14Å |
| 259 | A | 75.2 | Confident | 76.2 | Confident | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E255 M256 D262 V263 | E255-A259 PolarHBondContact O-N 2.91Å; M256-A259 PolarHBondContact O-N 2.94Å; A259-D262 PolarHBondContact O-N 3.47Å; A259-V263 WeakPolarHBondContact O-CG2 3.12Å; A259-V263 PolarHBondContact O-N 2.9Å; A259-V263 VanDerWaalsContact O-N 3.09Å |
| 260 | V | 80 | Confident | 77.3 | Confident | 88 Ų | 88 | 101.2 Ų | 101.2 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.4 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | M256 S257 I258 D262 V263 V264 | M256-V260 WeakPolarHBondContact O-CG2 3.21Å; M256-V260 PolarHBondContact O-N 3.25Å; M256-V260 VanDerWaalsContact O-N 3.12Å; S257-V260 PolarHBondContact O-N 3.09Å; I258-V260 VanDerWaalsContact C-N 3.34Å; I258-V260 PolarHBondContact O-N 2.99Å; V260-D262 VanDerWaalsContact C-N 3.33Å; V260-D262 PolarHBondContact O-N 3.1Å; V260-V263 PolarHBondContact O-N 2.75Å; V260-V264 HydrophobicContact CG1-CG2 4.33Å; V260-V264 WeakPolarHBondContact O-CB 3.38Å; V260-V264 VanDerWaalsContact O-CG2 3.22Å; V260-V264 WeakPolarHBondContact O-CG2 3.49Å; V260-V264 PolarHBondContact O-N 3.04Å |
| 261 | N | 83.3 | Confident | 78.4 | Confident | 89 Ų | 89 | 101 Ų | 101 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176.3 | -69.8 | -28.7 | 0 | 0 | 0 | 111.3 | S257 I258 V264 I265 | S257-N261 WeakPolarHBondContact O-CB 3.43Å; S257-N261 PolarHBondContact O-N 3.46Å; S257-N261 PolarHBondContact O-ND2 2.94Å; I258-N261 PolarHBondContact O-N 3.22Å; N261-V264 PolarHBondContact O-N 2.68Å; N261-I265 WeakPolarHBondContact O-CB 3.32Å; N261-I265 WeakPolarHBondContact O-CD1 3.33Å; N261-I265 WeakPolarHBondContact O-CG1 3.49Å; N261-I265 PolarHBondContact O-N 2.73Å |
| 262 | D | 87.7 | Confident | 79.6 | Confident | 86 Ų | 86 | 99.7 Ų | 99.7 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 178.7 | -73.7 | -16 | 0 | 0 | 0 | 112.3 | I258 A259 V260 V264 I265 Q266 | I258-D262 PolarHBondContact O-N 3.14Å; A259-D262 PolarHBondContact O-N 3.47Å; V260-D262 VanDerWaalsContact C-N 3.33Å; V260-D262 PolarHBondContact O-N 3.1Å; D262-V264 VanDerWaalsContact C-N 3.34Å; D262-V264 PolarHBondContact O-N 3.02Å; D262-I265 PolarHBondContact O-N 3.33Å; D262-Q266 WeakPolarHBondContact O-CG 3.36Å; D262-Q266 PolarHBondContact O-N 2.54Å |
| 263 | V | 87.8 | Confident | 80.8 | Confident | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 174.7 | 175 | 0 | 0 | 0 | 0 | 110.9 | A259 V260 Q266 K267 | A259-V263 WeakPolarHBondContact O-CG2 3.12Å; A259-V263 PolarHBondContact O-N 2.9Å; A259-V263 VanDerWaalsContact O-N 3.09Å; V260-V263 PolarHBondContact O-N 2.75Å; V263-Q266 PolarHBondContact O-N 2.81Å; V263-K267 HydrophobicContact CG1-CD 4.42Å; V263-K267 WeakPolarHBondContact O-CG 3.42Å; V263-K267 PolarHBondContact O-N 3.48Å |
| 264 | V | 90.6 | Very high | 82.3 | Confident | 70 Ų | 70 | 93.4 Ų | 93.4 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | V260 N261 D262 K267 L268 | V260-V264 HydrophobicContact CG1-CG2 4.33Å; V260-V264 WeakPolarHBondContact O-CB 3.38Å; V260-V264 VanDerWaalsContact O-CG2 3.22Å; V260-V264 WeakPolarHBondContact O-CG2 3.49Å; V260-V264 PolarHBondContact O-N 3.04Å; N261-V264 PolarHBondContact O-N 2.68Å; D262-V264 VanDerWaalsContact C-N 3.34Å; D262-V264 PolarHBondContact O-N 3.02Å; V264-K267 PolarHBondContact O-N 2.9Å; V264-L268 HydrophobicContact CG1-CD1 3.77Å; V264-L268 HydrophobicContact CG1-CG 4.25Å; V264-L268 WeakPolarHBondContact O-CB 3.27Å; V264-L268 VanDerWaalsContact O-CG 3.25Å; V264-L268 WeakPolarHBondContact O-CG 3.49Å; V264-L268 PolarHBondContact O-N 2.81Å |
| 265 | I | 90.6 | Very high | 83.7 | Confident | 94 Ų | 94 | 94.1 Ų | 94.1 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.4 | -70.5 | 161 | 0 | 0 | 0 | 110.5 | N261 D262 L268 T269 | N261-I265 WeakPolarHBondContact O-CB 3.32Å; N261-I265 WeakPolarHBondContact O-CD1 3.33Å; N261-I265 WeakPolarHBondContact O-CG1 3.49Å; N261-I265 PolarHBondContact O-N 2.73Å; D262-I265 PolarHBondContact O-N 3.33Å; I265-L268 PolarHBondContact O-N 3.46Å; I265-T269 WeakPolarHBondContact O-CB 3.45Å; I265-T269 PolarHBondContact O-N 3.44Å; I265-T269 PolarHBondContact O-OG1 2.91Å |
| 266 | Q | 92.3 | Very high | 84.9 | Confident | 137 Ų | 137 | 96 Ų | 96 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.2 | -48.7 | 176.9 | -73.9 | 176.7 | 2.2 | 0 | 0 | 111.3 | D262 V263 L268 T269 E270 | D262-Q266 WeakPolarHBondContact O-CG 3.36Å; D262-Q266 PolarHBondContact O-N 2.54Å; V263-Q266 PolarHBondContact O-N 2.81Å; Q266-L268 PolarHBondContact O-N 3.38Å; Q266-T269 WeakPolarHBondContact O-CB 3.28Å; Q266-T269 PolarHBondContact O-N 3.08Å; Q266-T269 VanDerWaalsContact O-N 3.16Å; Q266-E270 PolarHBondContact O-N 3.4Å |
| 267 | K | 91.1 | Very high | 85.7 | Confident | 135 Ų | 135 | 91.2 Ų | 91.2 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 177.1 | -72.4 | -175.2 | 178.2 | -171.2 | 0 | 113 | V263 V264 T269 E270 V271 | V263-K267 HydrophobicContact CG1-CD 4.42Å; V263-K267 WeakPolarHBondContact O-CG 3.42Å; V263-K267 PolarHBondContact O-N 3.48Å; V264-K267 PolarHBondContact O-N 2.9Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 3.33Å; K267-E270 PolarHBondContact O-N 2.87Å; K267-V271 WeakPolarHBondContact O-CG2 3.42Å; K267-V271 PolarHBondContact O-N 2.92Å |
| 268 | L | 92.7 | Very high | 85.8 | Confident | 99 Ų | 99 | 94.2 Ų | 94.2 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -34.7 | 175.7 | -74.4 | 171.7 | 0 | 0 | 0 | 111.8 | V264 I265 Q266 L272 | V264-L268 HydrophobicContact CG1-CD1 3.77Å; V264-L268 HydrophobicContact CG1-CG 4.25Å; V264-L268 WeakPolarHBondContact O-CB 3.27Å; V264-L268 VanDerWaalsContact O-CG 3.25Å; V264-L268 WeakPolarHBondContact O-CG 3.49Å; V264-L268 PolarHBondContact O-N 2.81Å; I265-L268 PolarHBondContact O-N 3.46Å; Q266-L268 PolarHBondContact O-N 3.38Å; L268-L272 VanDerWaalsContact O-CB 3.28Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 3.49Å |
| 269 | T | 91.5 | Very high | 85.5 | Confident | 82 Ų | 82 | 93 Ų | 93 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | I265 Q266 K267 S273 | I265-T269 WeakPolarHBondContact O-CB 3.45Å; I265-T269 PolarHBondContact O-N 3.44Å; I265-T269 PolarHBondContact O-OG1 2.91Å; Q266-T269 WeakPolarHBondContact O-CB 3.28Å; Q266-T269 PolarHBondContact O-N 3.08Å; Q266-T269 VanDerWaalsContact O-N 3.16Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 3.33Å; T269-S273 WeakPolarHBondContact O-CB 3.4Å; T269-S273 PolarHBondContact O-N 3.42Å |
| 270 | E | 91.6 | Very high | 84.7 | Confident | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -53.6 | 173.5 | -172.6 | 173.8 | -161 | 0 | 0 | 111.3 | Q266 K267 L272 S273 E274 | Q266-E270 PolarHBondContact O-N 3.4Å; K267-E270 PolarHBondContact O-N 2.87Å; E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 2.94Å; E270-S273 WeakPolarHBondContact O-CA 3.47Å; E270-S273 WeakPolarHBondContact O-CB 3.23Å; E270-S273 PolarHBondContact O-N 3.02Å; E270-S273 PolarHBondContact O-OG 3.48Å; E270-E274 PolarHBondContact O-N 3.09Å; E270-E274 VanDerWaalsContact O-N 3.11Å |
| 271 | V | 92.5 | Very high | 83.7 | Confident | 77 Ų | 77 | 105 Ų | 105 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111.8 | K267 S273 E274 V275 | K267-V271 WeakPolarHBondContact O-CG2 3.42Å; K267-V271 PolarHBondContact O-N 2.92Å; V271-S273 VanDerWaalsContact C-N 3.28Å; V271-S273 PolarHBondContact O-N 2.93Å; V271-E274 PolarHBondContact O-N 3.49Å; V271-V275 HydrophobicContact CG1-CG2 4.39Å; V271-V275 VanDerWaalsContact O-CG2 3.27Å; V271-V275 WeakPolarHBondContact O-CG2 3.37Å; V271-V275 PolarHBondContact O-N 2.89Å |
| 272 | L | 90 | Very high | 82.4 | Confident | 84 Ų | 84 | 110.4 Ų | 110.4 | 44% | 0.44 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69 | -26.3 | 177 | -72.6 | 172.9 | 0 | 0 | 0 | 112.9 | L268 E270 R276 | L268-L272 VanDerWaalsContact O-CB 3.28Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 3.49Å; E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 2.94Å; L272-R276 VanDerWaalsContact O-CB 3.31Å; L272-R276 WeakPolarHBondContact O-CB 3.36Å; L272-R276 VanDerWaalsContact O-CG 3.22Å; L272-R276 WeakPolarHBondContact O-CG 3.13Å; L272-R276 PolarHBondContact O-N 3.47Å; L272-R276 VanDerWaalsContact O-N 3.08Å |
| 273 | S | 87.6 | Confident | 80.8 | Confident | 65 Ų | 65 | 115.7 Ų | 115.7 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.9 | -40.8 | 175 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | T269 E270 V271 R276 A277 | T269-S273 WeakPolarHBondContact O-CB 3.4Å; T269-S273 PolarHBondContact O-N 3.42Å; E270-S273 WeakPolarHBondContact O-CA 3.47Å; E270-S273 WeakPolarHBondContact O-CB 3.23Å; E270-S273 PolarHBondContact O-N 3.02Å; E270-S273 PolarHBondContact O-OG 3.48Å; V271-S273 VanDerWaalsContact C-N 3.28Å; V271-S273 PolarHBondContact O-N 2.93Å; S273-R276 PolarHBondContact O-N 2.72Å; S273-A277 WeakPolarHBondContact O-CB 3.4Å; S273-A277 PolarHBondContact O-N 3.33Å |
| 274 | E | 88.9 | Confident | 78.8 | Confident | 116 Ų | 116 | 121.5 Ų | 121.5 | 54% | 0.542 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -49.3 | 174.8 | -66.1 | -180 | 166.4 | 0 | 0 | 111.3 | E270 V271 R276 A277 D278 | E270-E274 PolarHBondContact O-N 3.09Å; E270-E274 VanDerWaalsContact O-N 3.11Å; V271-E274 PolarHBondContact O-N 3.49Å; E274-R276 PolarHBondContact O-N 3.17Å; E274-A277 WeakPolarHBondContact O-CA 3.19Å; E274-A277 WeakPolarHBondContact O-CB 3.2Å; E274-A277 PolarHBondContact O-N 2.85Å; E274-D278 PolarHBondContact O-N 3.2Å |
| 275 | V | 88.5 | Confident | 76.7 | Confident | 92 Ų | 92 | 126.4 Ų | 126.4 | 56% | 0.558 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.5 | -35.1 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | V271 G279 | V271-V275 HydrophobicContact CG1-CG2 4.39Å; V271-V275 VanDerWaalsContact O-CG2 3.27Å; V271-V275 WeakPolarHBondContact O-CG2 3.37Å; V271-V275 PolarHBondContact O-N 2.89Å; V275-G279 PolarHBondContact O-N 3.49Å |
| 276 | R | 84.5 | Confident | 74.2 | Confident | 170 Ų | 170 | 131.3 Ų | 131.3 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.9 | -30.2 | 173.9 | -77.3 | -177.5 | -168.1 | 128.8 | -0.9 | 113.2 | L272 S273 E274 | L272-R276 VanDerWaalsContact O-CB 3.31Å; L272-R276 WeakPolarHBondContact O-CB 3.36Å; L272-R276 VanDerWaalsContact O-CG 3.22Å; L272-R276 WeakPolarHBondContact O-CG 3.13Å; L272-R276 PolarHBondContact O-N 3.47Å; L272-R276 VanDerWaalsContact O-N 3.08Å; S273-R276 PolarHBondContact O-N 2.72Å; E274-R276 PolarHBondContact O-N 3.17Å |
| 277 | A | 78.5 | Confident | 71.7 | Confident | 45 Ų | 45 | 133.9 Ų | 133.9 | 37% | 0.372 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.9 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S273 E274 G279 R280 | S273-A277 WeakPolarHBondContact O-CB 3.4Å; S273-A277 PolarHBondContact O-N 3.33Å; E274-A277 WeakPolarHBondContact O-CA 3.19Å; E274-A277 WeakPolarHBondContact O-CB 3.2Å; E274-A277 PolarHBondContact O-N 2.85Å; A277-G279 VanDerWaalsContact C-N 3.29Å; A277-G279 PolarHBondContact O-N 2.88Å; A277-R280 PolarHBondContact O-N 3.18Å |
| 278 | D | 66.6 | Low | 69.1 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.6 | -31.2 | 177 | -79.4 | -15.2 | 0 | 0 | 0 | 113.1 | E274 R280 | E274-D278 PolarHBondContact O-N 3.2Å; D278-R280 VanDerWaalsContact C-N 3.29Å; D278-R280 PolarHBondContact O-N 3.4Å |
| 279 | G | 63.7 | Low | 66.7 | Low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.4 | -17.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V275 A277 | V275-G279 PolarHBondContact O-N 3.49Å; A277-G279 VanDerWaalsContact C-N 3.29Å; A277-G279 PolarHBondContact O-N 2.88Å |
| 280 | R | 59.3 | Low | 64.1 | Low | 211 Ų | 211 | 141.8 Ų | 141.8 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -102.5 | -14.7 | -177.5 | -67.2 | -170.2 | -172.9 | -167.1 | 2.6 | 114.3 | A277 D278 | A277-R280 PolarHBondContact O-N 3.18Å; D278-R280 VanDerWaalsContact C-N 3.29Å; D278-R280 PolarHBondContact O-N 3.4Å |
| 281 | R | 58.4 | Low | 61.9 | Low | 186 Ų | 186 | 143.9 Ų | 143.9 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -80.2 | -17.6 | -180 | -69.6 | -176.7 | 173.1 | -174.8 | -2.4 | 113.8 | K283 | R281-K283 VanDerWaalsContact C-N 3.35Å; R281-K283 PolarHBondContact O-N 3.39Å |
| 282 | K | 56.8 | Low | 59.3 | Low | 203 Ų | 203 | 145.8 Ų | 145.8 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 7.1 | 177.9 | -82.8 | -175.1 | 174.2 | 179.2 | 0 | 116.6 | ||
| 283 | K | 53.1 | Low | 57 | Low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 14.5 | -176.5 | -150.4 | 177.4 | 178.1 | 176.3 | 0 | 115.6 | R281 | R281-K283 VanDerWaalsContact C-N 3.35Å; R281-K283 PolarHBondContact O-N 3.39Å |
| 284 | K | 46 | Very low | 54.8 | Low | 193 Ų | 193 | 152.1 Ų | 152.1 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -142.1 | 20.8 | -173.7 | -134.2 | -178.1 | -179.7 | -171.2 | 0 | 116.7 | ||
| 285 | E | 46.5 | Very low | 52.4 | Low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -123.5 | 73.3 | 174.5 | -72.5 | 176.4 | -176.7 | 0 | 0 | 109.5 | ||||
| 286 | K | 38.7 | Very low | 50.1 | Low | 197 Ų | 197 | 156.4 Ų | 156.4 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -156.6 | 120.7 | 163 | -132.1 | 175.9 | -176.4 | 178.7 | 0 | 105.5 | ||
| 287 | E | 38.2 | Very low | 47.9 | Very low | 190 Ų | 190 | 158.2 Ų | 158.2 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 100.2 | 128.8 | -175.5 | -58.6 | 174.5 | -179.2 | 0 | 0 | 114.9 | ||
| 288 | S | 37.2 | Very low | 46.1 | Very low | 108 Ų | 108 | 165.4 Ų | 165.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 71 | 92.5 | 175.4 | 77.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 289 | E | 41.8 | Very low | 45.3 | Very low | 193 Ų | 193 | 165.2 Ų | 165.2 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | 174.3 | 104.8 | 100 | -93.6 | 172.6 | -180 | 0 | 0 | 109.9 | |||||
| 290 | E | 38.7 | Very low | 44.9 | Very low | 181 Ų | 181 | 169.8 Ų | 169.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -85.3 | 126.8 | 171.4 | -160.2 | 174.1 | -155.9 | 0 | 0 | 106.9 | ||||
| 291 | Q | 44.6 | Very low | 44.4 | Very low | 162 Ų | 162 | 164.8 Ų | 164.8 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | trans | 133.9 | 113 | 146.7 | -73.1 | -179 | 5.8 | 0 | 0 | 115.8 | ||||
| 292 | T | 37.2 | Very low | 44.4 | Very low | 117 Ų | 117 | 161.4 Ų | 161.4 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | trans | 76.2 | 133.2 | 147.3 | 68.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 293 | N | 41.3 | Very low | 44.6 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 65% | 0.652 | 80% | 0.801 | S | S | * | * | cis | -167.5 | 141.9 | -2.8 | -109.9 | -4.9 | 0 | 0 | 0 | 106.3 | ||||
| 294 | E | 43 | Very low | 45.3 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 64.1 | 134.9 | 139.9 | -60.4 | 177.1 | -163.6 | 0 | 0 | 119 | ||||
| 295 | T | 37.7 | Very low | 46.3 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | cis | -169.4 | 150.2 | 2.8 | 5.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 296 | K | 39.7 | Very low | 47.4 | Very low | 193 Ų | 193 | 150 Ų | 150 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 76 | 88.3 | 150.7 | -63.3 | 162.7 | -175.8 | 177.7 | 0 | 119.5 | ||||
| 297 | K | 39.4 | Very low | 48.8 | Very low | 207 Ų | 207 | 148.8 Ų | 148.8 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | trans | -167.4 | 21.3 | 136.2 | -125.2 | 177.8 | -178.9 | 179.5 | 0 | 119.6 | ||||
| 298 | E | 41 | Very low | 50.2 | Low | 197 Ų | 197 | 143.5 Ų | 143.5 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -135.8 | 95.3 | -175.5 | -65.2 | -179.2 | -177.4 | 0 | 0 | 112 | ||||
| 299 | S | 49.1 | Very low | 51.6 | Low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -141.1 | 21.5 | 170.5 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 300 | I | 54.6 | Low | 53.1 | Low | 159 Ų | 159 | 137.8 Ų | 137.8 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -131.1 | -11.8 | -175.3 | -62.2 | 178.1 | 0 | 0 | 0 | 114.1 | ||
| 301 | A | 50.4 | Low | 54.7 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -111.4 | -3.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 302 | S | 57.4 | Low | 56 | Low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -97.9 | 28.9 | -178.4 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 303 | A | 60.1 | Low | 57.7 | Low | 76 Ų | 76 | 139.5 Ų | 139.5 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | trans | -92.6 | 106.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | I305 | A303-I305 PolarHBondContact O-N 3.25Å; A303-I305 VanDerWaalsContact O-N 3.1Å | ||
| 304 | D | 67.9 | Low | 59.2 | Low | 129 Ų | 129 | 137.2 Ų | 137.2 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | trans | -62.1 | 111.1 | 168.9 | -84 | -30.5 | 0 | 0 | 0 | 108.6 | Y306 E307 | D304-Y306 PolarHBondContact O-N 2.98Å; D304-E307 HydrophobicContact CB-CB 4.3Å; D304-E307 PolarHBondContact O-N 3.33Å; D304-E307 VanDerWaalsContact O-N 3.12Å | ||
| 305 | I | 67.2 | Low | 60.3 | Low | 154 Ų | 154 | 134.6 Ų | 134.6 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -10 | -178.7 | -37.5 | 175.5 | 0 | 0 | 0 | 111.8 | A303 | A303-I305 PolarHBondContact O-N 3.25Å; A303-I305 VanDerWaalsContact O-N 3.1Å |
| 306 | Y | 70.7 | Confident | 60.7 | Low | 169 Ų | 169 | 135.1 Ų | 135.1 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 8.8 | -175.2 | -64 | -89.1 | 0 | 0 | 0 | 113.9 | D304 G308 I309 | D304-Y306 PolarHBondContact O-N 2.98Å; Y306-G308 PolarHBondContact O-N 3.47Å; Y306-I309 HydrophobicContact CD1-CD1 3.37Å; Y306-I309 HydrophobicContact CD1-CG1 4.49Å; Y306-I309 HydrophobicContact CE1-CD1 3.87Å; Y306-I309 HydrophobicContact CG-CD1 4.32Å; Y306-I309 PolarHBondContact O-N 2.98Å |
| 307 | E | 66.9 | Low | 61 | Low | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -11.4 | -178.8 | -161.7 | 174.8 | -178.6 | 0 | 0 | 113.8 | D304 | D304-E307 HydrophobicContact CB-CB 4.3Å; D304-E307 PolarHBondContact O-N 3.33Å; D304-E307 VanDerWaalsContact O-N 3.12Å |
| 308 | G | 67.7 | Low | 61.4 | Low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 4.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y306 | Y306-G308 PolarHBondContact O-N 3.47Š|
| 309 | I | 67 | Low | 61.2 | Low | 117 Ų | 117 | 126.8 Ų | 126.8 | 60% | 0.6 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -99.8 | 104.6 | 178.3 | -64.3 | 162 | 0 | 0 | 0 | 107.4 | Y306 | Y306-I309 HydrophobicContact CD1-CD1 3.37Å; Y306-I309 HydrophobicContact CD1-CG1 4.49Å; Y306-I309 HydrophobicContact CE1-CD1 3.87Å; Y306-I309 HydrophobicContact CG-CD1 4.32Å; Y306-I309 PolarHBondContact O-N 2.98Å |
| 310 | G | 73.4 | Confident | 60.7 | Low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -52.1 | 155.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y312 | G310-Y312 PolarHBondContact O-N 2.96Š| ||
| 311 | E | 72.8 | Confident | 60 | Low | 189 Ų | 189 | 123.8 Ų | 123.8 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -46.4 | 117.7 | -176.5 | -153.9 | 170.9 | -162.4 | 0 | 0 | 111.9 | V313 | E311-V313 PolarHBondContact O-N 3.36Å; E311-V313 VanDerWaalsContact O-N 3.07Å | ||
| 312 | Y | 72.4 | Confident | 59.7 | Low | 189 Ų | 189 | 127.9 Ų | 127.9 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -65.8 | 108.6 | -179.8 | 175.4 | -99.5 | 0 | 0 | 0 | 110 | G310 P314 | G310-Y312 PolarHBondContact O-N 2.96Å; Y312-P314 HydrophobicContact CE1-CB 3.94Å; Y312-P314 VanDerWaalsContact O-CD 3.28Å; Y312-P314 WeakPolarHBondContact O-CD 3.13Å | ||
| 313 | V | 71.6 | Confident | 58.8 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -90.5 | 106.5 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | E311 | E311-V313 PolarHBondContact O-N 3.36Å; E311-V313 VanDerWaalsContact O-N 3.07Å | ||
| 314 | P | 74.3 | Confident | 57.6 | Low | 74 Ų | 74 | 136.7 Ų | 136.7 | 48% | 0.481 | 75% | 0.745 | S | S | . | * | trans | -63.9 | 140 | 176.5 | 26.1 | -33 | 0 | 0 | 0 | 110.1 | Y312 V316 | Y312-P314 HydrophobicContact CE1-CB 3.94Å; Y312-P314 VanDerWaalsContact O-CD 3.28Å; Y312-P314 WeakPolarHBondContact O-CD 3.13Å; P314-V316 PolarHBondContact O-N 3.38Å | ||
| 315 | P | 64.4 | Low | 56.2 | Low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -64.5 | 107.9 | 176.5 | 25.7 | -31.4 | 0 | 0 | 0 | 109 | L317 | P315-L317 PolarHBondContact O-N 2.9Š| ||
| 316 | V | 46.5 | Very low | 55.1 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | -67.7 | 99.6 | 169.1 | -169 | 0 | 0 | 0 | 0 | 106.2 | P314 N318 | P314-V316 PolarHBondContact O-N 3.38Å; V316-N318 PolarHBondContact O-N 3.28Å | ||
| 317 | L | 47.3 | Very low | 53.5 | Low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -66.1 | 100 | 168 | -71.3 | 173 | 0 | 0 | 0 | 107.5 | P315 P319 | P315-L317 PolarHBondContact O-N 2.9Å; L317-P319 VanDerWaalsContact O-CD 3.29Å; L317-P319 WeakPolarHBondContact O-CD 3.43Å | ||
| 318 | N | 47.1 | Very low | 52.7 | Low | 129 Ų | 129 | 139.2 Ų | 139.2 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | -55.6 | 117.4 | 170.4 | -69.7 | -29.8 | 0 | 0 | 0 | 109.6 | V316 S320 | V316-N318 PolarHBondContact O-N 3.28Å; N318-S320 PolarHBondContact O-N 2.95Å | ||
| 319 | P | 37.1 | Very low | 51.3 | Low | 132 Ų | 132 | 141 Ų | 141 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -89.5 | 81.1 | 167.3 | 33.8 | -23.9 | 0 | 0 | 0 | 107 | L317 | L317-P319 VanDerWaalsContact O-CD 3.29Å; L317-P319 WeakPolarHBondContact O-CD 3.43Å | ||
| 320 | S | 37.5 | Very low | 50 | Low | 92 Ų | 92 | 147.1 Ų | 147.1 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -150.4 | 128.8 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | N318 | N318-S320 PolarHBondContact O-N 2.95Š| ||
| 321 | S | 40.5 | Very low | 48.3 | Very low | 113 Ų | 113 | 153.3 Ų | 153.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 84.5 | 71.5 | 170.4 | 82.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 322 | E | 43.1 | Very low | 46.5 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -163.9 | 83.1 | 137.1 | -100.3 | 171.5 | -155.2 | 0 | 0 | 104.9 | ||||
| 323 | K | 40 | Very low | 44.9 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | 23.1 | 108.8 | 94.9 | -68.3 | -174.8 | -179.6 | -179.3 | 0 | 109.9 | |||||
| 324 | E | 34.2 | Very low | 43.6 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | -179.8 | 146 | 50.6 | -160.9 | 166.1 | -165.8 | 0 | 0 | 107.9 | |||||
| 325 | S | 39 | Very low | 42 | Very low | 106 Ų | 106 | 153.3 Ų | 153.3 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 81.8 | 129.4 | 167.7 | 77.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 326 | L | 44.2 | Very low | 40.9 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 93.1 | 63.9 | 166.9 | -64.5 | 128.9 | 0 | 0 | 0 | 119 | ||||
| 327 | E | 37.1 | Very low | 40.6 | Very low | 191 Ų | 191 | 158.3 Ų | 158.3 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -109.6 | 124.4 | 147 | -86.6 | -162.6 | 143.6 | 0 | 0 | 110.4 | ||||
| 328 | K | 50.1 | Low | 40.4 | Very low | 207 Ų | 207 | 157.2 Ų | 157.2 | 90% | 0.9 | 81% | 0.809 | S | S | * | * | trans | 176.7 | 155.6 | 144.7 | -102 | 168.1 | -167.5 | -177.9 | 0 | 111.1 | ||||
| 329 | P | 38.6 | Very low | 40.1 | Very low | 116 Ų | 116 | 157.9 Ų | 157.9 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | -115.7 | 164.4 | -100 | 28.1 | -10.8 | 0 | 0 | 0 | 114.6 | K331 | P329-K331 PolarHBondContact O-N 2.84Š| |||
| 330 | R | 38 | Very low | 40.4 | Very low | 244 Ų | 244 | 160.2 Ų | 160.2 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -46.4 | 122 | 159.9 | -73.8 | 173.8 | 155.2 | 141.5 | -4.9 | 110.8 | ||||
| 331 | K | 38.1 | Very low | 40.4 | Very low | 195 Ų | 195 | 159.9 Ų | 159.9 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | 151.3 | 82.7 | 154.3 | -86 | 164.4 | -174 | -173.9 | 0 | 106.8 | P329 | P329-K331 PolarHBondContact O-N 2.84Š| ||
| 332 | N | 36.5 | Very low | 40.4 | Very low | 142 Ų | 142 | 163.8 Ų | 163.8 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | trans | -178.9 | 31 | 163.5 | -94.5 | -6.6 | 0 | 0 | 0 | 114.7 | ||||
| 333 | A | 37.9 | Very low | 40.2 | Very low | 99 Ų | 99 | 161.9 Ų | 161.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -104.1 | 5.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 334 | Q | 43.5 | Very low | 40.3 | Very low | 181 Ų | 181 | 159.8 Ų | 159.8 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -116.7 | 14.4 | -176.9 | -148 | 82.4 | 12.6 | 0 | 0 | 113.5 | ||
| 335 | Q | 42 | Very low | 40.5 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -130.5 | 14.3 | -176.1 | -91.1 | 178.8 | -18 | 0 | 0 | 114.4 | ||
| 336 | A | 40.1 | Very low | 40.4 | Very low | 85 Ų | 85 | 156 Ų | 156 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -112.4 | 21.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 337 | R | 41.3 | Very low | 40.5 | Very low | 243 Ų | 243 | 156.3 Ų | 156.3 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -137 | 23.3 | 174.5 | -69.2 | -168.3 | -179.5 | 176.1 | 1.3 | 114.7 | ||
| 338 | D | 42.5 | Very low | 40.6 | Very low | 137 Ų | 137 | 155.8 Ų | 155.8 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -124.3 | 27 | -179.4 | -72.6 | -31.3 | 0 | 0 | 0 | 113.4 | ||
| 339 | N | 41.7 | Very low | 40.3 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -125.5 | 6.6 | -178.1 | -77.2 | -46 | 0 | 0 | 0 | 116.5 | ||||
| 340 | D | 42.1 | Very low | 40.5 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 97% | 0.968 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -102 | 37.1 | 174.2 | -69 | -41.6 | 0 | 0 | 0 | 112.4 | ||
| 341 | A | 37.8 | Very low | 40.5 | Very low | 85 Ų | 85 | 153.2 Ų | 153.2 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | -137.4 | 56 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 342 | Q | 40.6 | Very low | 40.5 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -173.5 | 79.1 | 162.5 | -108.5 | 167.4 | 16.8 | 0 | 0 | 110.6 | ||||
| 343 | D | 39.5 | Very low | 40.7 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -152.7 | 139 | 150.4 | -141.7 | -10.3 | 0 | 0 | 0 | 110.3 | ||||
| 344 | N | 41.1 | Very low | 40.7 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | 87.9 | 59.6 | -168.8 | -52.6 | -55.5 | 0 | 0 | 0 | 116.6 | ||||
| 345 | S | 38.3 | Very low | 40.5 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -71.4 | 148.2 | 144.3 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 346 | A | 37.8 | Very low | 40 | Very low | 92 Ų | 92 | 148 Ų | 148 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | 85 | 93.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 347 | L | 45.1 | Very low | 39.9 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | -166.1 | 122.2 | 108.3 | -94.8 | 158.6 | 0 | 0 | 0 | 109.7 | |||||
| 348 | E | 40.2 | Very low | 39.4 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -58.2 | 150.5 | 175.6 | -66.7 | 179.9 | 110.4 | 0 | 0 | 112.2 | ||||
| 349 | V | 43.9 | Very low | 39.1 | Very low | 119 Ų | 119 | 142 Ų | 142 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | 167.4 | 108.7 | 112.3 | 163.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 350 | K | 43.5 | Very low | 39 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | 55.1 | 107.2 | 140.2 | -59.4 | 177.6 | -178 | 172.3 | 0 | 120.3 | ||||
| 351 | K | 36.5 | Very low | 38.7 | Very low | 198 Ų | 198 | 139 Ų | 139 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -62.9 | 160.9 | 150.6 | -62.9 | 174.4 | 173.9 | 171.9 | 0 | 110.5 | ||||
| 352 | P | 39.6 | Very low | 38.5 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | -144.3 | 176.5 | 90.8 | 31.5 | -10.5 | 0 | 0 | 0 | 116.1 | |||||
| 353 | S | 40.7 | Very low | 38.2 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -56.9 | 163.4 | -167.7 | 41.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 354 | P | 37.3 | Very low | 37.9 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | trans | -89.2 | 131.9 | -176.4 | 35.4 | -29.9 | 0 | 0 | 0 | 111.7 | ||||
| 355 | S | 39.1 | Very low | 38 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -148.6 | 122.4 | 167.1 | 63.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 356 | F | 31.9 | Very low | 37.9 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 69.3 | 133.5 | 134.5 | -117.6 | -114.5 | 0 | 0 | 0 | 120.6 | ||||
| 357 | N | 37.4 | Very low | 38 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 76.4 | 112.3 | 163.5 | -54.7 | -27.1 | 0 | 0 | 0 | 116.1 | ||||
| 358 | A | 31.7 | Very low | 37.8 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | 57.2 | 94 | 60.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 359 | S | 36.2 | Very low | 37.7 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 141.2 | 146.3 | 136.5 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 360 | S | 37.8 | Very low | 37.4 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | 75.5 | 140.8 | 164.8 | 112.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 361 | E | 37.3 | Very low | 37.1 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | cis | -163.5 | 130.8 | 5.9 | -99.7 | 146.2 | 151.9 | 0 | 0 | 104.8 | ||||
| 362 | L | 33.9 | Very low | 37.3 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | 29.1 | 93 | 96.5 | -71.4 | 175 | 0 | 0 | 0 | 116.7 | |||||
| 363 | A | 34 | Very low | 36.9 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 159.4 | 143.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 364 | A | 33.1 | Very low | 36.7 | Very low | 81 Ų | 81 | 147.2 Ų | 147.2 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | cis | -167.6 | -177.2 | -0.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 365 | T | 42.9 | Very low | 37.1 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 77.6 | 89.4 | 163.8 | 76.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 366 | S | 37.1 | Very low | 36.9 | Very low | 101 Ų | 101 | 155.4 Ų | 155.4 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | 44 | 97.8 | 82.8 | 75.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 367 | D | 38.4 | Very low | 37 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | 161.7 | 96.9 | 151.5 | -83.9 | -25.5 | 0 | 0 | 0 | 109.2 | ||||
| 368 | L | 42.4 | Very low | 36.9 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | 176.5 | 41.7 | 149.3 | -93.1 | 149.8 | 0 | 0 | 0 | 110.8 | ||||
| 369 | Q | 38 | Very low | 37.4 | Very low | 194 Ų | 194 | 158.3 Ų | 158.3 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | trans | -101.7 | 87.3 | 156.9 | -80.5 | 178.2 | -63.3 | 0 | 0 | 107 | ||||
| 370 | K | 36 | Very low | 37.2 | Very low | 197 Ų | 197 | 160.3 Ų | 160.3 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | trans | 175.1 | 86.3 | 163.7 | -102.8 | 164.9 | -174.2 | -176.7 | 0 | 108.3 | ||||
| 371 | R | 37.9 | Very low | 37.2 | Very low | 239 Ų | 239 | 162.2 Ų | 162.2 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -167.3 | 95.1 | 147 | -107.1 | 163.8 | -174.6 | -149.8 | 1.4 | 110.9 | ||
| 372 | K | 39.8 | Very low | 36.9 | Very low | 193 Ų | 193 | 165.3 Ų | 165.3 | 84% | 0.839 | 84% | 0.844 | S | S | * | * | trans | 80.6 | 80.5 | 139 | -67.9 | -176.4 | 167.1 | -169.7 | 0 | 117.9 | ||||
| 373 | E | 33 | Very low | 36.8 | Very low | 181 Ų | 181 | 166 Ų | 166 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | -52.2 | 133.8 | 123 | -67.2 | 166.8 | 154.1 | 0 | 0 | 109.9 | |||||
| 374 | D | 36.7 | Very low | 36.8 | Very low | 149 Ų | 149 | 168.4 Ų | 168.4 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | 154 | 141.7 | 155.9 | -77.6 | -20.4 | 0 | 0 | 0 | 107.4 | ||||
| 375 | I | 44.8 | Very low | 36.7 | Very low | 178 Ų | 178 | 167.8 Ų | 167.8 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | 95.9 | 52.9 | -168.7 | -42.1 | 156.7 | 0 | 0 | 0 | 113.2 | ||||
| 376 | R | 34.2 | Very low | 36.3 | Very low | 231 Ų | 231 | 174.5 Ų | 174.5 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | trans | -112 | 149.8 | 135.3 | -91.6 | 176 | -88.6 | -179.8 | -3.7 | 106.3 | ||||
| 377 | D | 33.7 | Very low | 36.2 | Very low | 153 Ų | 153 | 174.4 Ų | 174.4 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | 85.2 | 92.4 | 174.6 | -52.2 | -18.7 | 0 | 0 | 0 | 117 | ||||
| 378 | S | 35.3 | Very low | 36.1 | Very low | 123 Ų | 123 | 170.3 Ų | 170.3 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | 179.6 | 138.3 | 132.7 | -82.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 379 | Q | 42.3 | Very low | 36.3 | Very low | 192 Ų | 192 | 170.7 Ų | 170.7 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | trans | 96.8 | 58 | 169.1 | -52.3 | -159.8 | -15.9 | 0 | 0 | 117.6 | ||||
| 380 | D | 31.9 | Very low | 36.4 | Very low | 157 Ų | 157 | 171 Ų | 171 | 84% | 0.84 | 84% | 0.839 | S | S | * | * | -81.9 | 151.3 | 128.2 | -99.8 | -39.8 | 0 | 0 | 0 | 109.7 | |||||
| 381 | T | 37.9 | Very low | 36.6 | Very low | 139 Ų | 139 | 165.1 Ų | 165.1 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | 102.6 | 128.2 | 169.7 | 77.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 382 | R | 32.7 | Very low | 36.7 | Very low | 229 Ų | 229 | 165.8 Ų | 165.8 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | 100.2 | 88.4 | 153 | -147.5 | 168.9 | -168.7 | -164.2 | 1.6 | 115.5 | ||||
| 383 | R | 31.2 | Very low | 36.6 | Very low | 193 Ų | 193 | 160.1 Ų | 160.1 | 73% | 0.728 | 83% | 0.827 | S | S | * | * | 87.8 | 121.9 | 85.2 | -100.6 | -171.3 | 177.3 | -125.5 | 1.9 | 113.3 | |||||
| 384 | E | 33.1 | Very low | 37.1 | Very low | 152 Ų | 152 | 159 Ų | 159 | 71% | 0.71 | 83% | 0.825 | S | S | * | * | trans | 68.3 | 116.7 | 132.9 | -67.7 | 169.8 | 178.3 | 0 | 0 | 119.6 | ||||
| 385 | G | 31.7 | Very low | 37.1 | Very low | 68 Ų | 68 | 161.7 Ų | 161.7 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | 116.2 | 84.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 386 | W | 35 | Very low | 36.9 | Very low | 263 Ų | 263 | 160.3 Ų | 160.3 | 100% | 0.996 | 82% | 0.823 | S | S | * | * | -156.6 | 108.6 | 123.9 | -112.2 | -37.9 | 0 | 0 | 0 | 111.4 | |||||
| 387 | A | 34.3 | Very low | 37 | Very low | 99 Ų | 99 | 152.5 Ų | 152.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -85.5 | 150.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 388 | G | 36.8 | Very low | 37.5 | Very low | 69 Ų | 69 | 151.9 Ų | 151.9 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 156.4 | 66.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 389 | Q | 45 | Very low | 37.6 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | 63.2 | 97.9 | 98 | -72.9 | -173.6 | -2.7 | 0 | 0 | 114 | |||||
| 390 | Q | 41.6 | Very low | 37.4 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | 160.8 | 140.9 | 129.3 | -92.7 | 174.7 | -17.1 | 0 | 0 | 108.1 | |||||
| 391 | A | 40.5 | Very low | 38.1 | Very low | 75 Ų | 75 | 143 Ų | 143 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | cis | -167 | 125.3 | -23.9 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 392 | R | 39.5 | Very low | 38.7 | Very low | 252 Ų | 252 | 142.9 Ų | 142.9 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | trans | 64.7 | 109.2 | 140.3 | -57.1 | 177.4 | 172.7 | -159.6 | -5 | 118.6 | ||||
| 393 | G | 37.3 | Very low | 39.5 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 174.5 | 44.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 394 | I | 43.2 | Very low | 41 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | 25.4 | 100.2 | 159.1 | -51.7 | 173.2 | 0 | 0 | 0 | 117.8 | L396 | I394-L396 HydrophobicContact CG2-CD1 4.5Š| ||
| 395 | K | 36.8 | Very low | 42.5 | Very low | 205 Ų | 205 | 133.3 Ų | 133.3 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -103.7 | 116.3 | 154.6 | -179.3 | 172.9 | -175.7 | 171.5 | 0 | 107.4 | ||||
| 396 | L | 41.5 | Very low | 44 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -119.4 | 103.9 | 163.6 | -87.7 | 166.8 | 0 | 0 | 0 | 108.4 | I394 | I394-L396 HydrophobicContact CG2-CD1 4.5Š| ||
| 397 | G | 36.6 | Very low | 45.5 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -75.9 | 136.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 398 | I | 43.1 | Very low | 47.2 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | trans | -132.6 | 97.3 | 162.3 | -66.1 | 172.8 | 0 | 0 | 0 | 105.7 | ||||
| 399 | G | 37.7 | Very low | 48.8 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | trans | -66.6 | 157.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 400 | S | 37.5 | Very low | 49.6 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 60.3 | 76.6 | 165.4 | 69.1 | 0 | 0 | 0 | 0 | 117.3 | ||
| 401 | S | 47.5 | Very low | 50.6 | Low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | 173.1 | 121.3 | 128.4 | 40.3 | 0 | 0 | 0 | 0 | 107.4 | D403 | S401-D403 PolarHBondContact O-N 3.47Å; S401-D403 VanDerWaalsContact O-N 3.08Å | |||
| 402 | V | 50.9 | Low | 51.5 | Low | 137 Ų | 137 | 121.4 Ų | 121.4 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | trans | -70.6 | 104 | 174.4 | 176.8 | 0 | 0 | 0 | 0 | 106.4 | S404 | V402-S404 PolarHBondContact O-N 2.92Å; V402-S404 VanDerWaalsContact O-N 3.09Å | ||
| 403 | D | 49.2 | Very low | 52.4 | Low | 122 Ų | 122 | 117.6 Ų | 117.6 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | trans | -76.3 | 96.5 | 179.6 | -154.7 | -4.4 | 0 | 0 | 0 | 108.8 | S401 Y405 A406 | S401-D403 PolarHBondContact O-N 3.47Å; S401-D403 VanDerWaalsContact O-N 3.08Å; D403-Y405 PolarHBondContact O-N 3.5Å; D403-A406 WeakPolarHBondContact O-CB 3.26Å; D403-A406 PolarHBondContact O-N 2.89Å | ||
| 404 | S | 61.1 | Low | 53.4 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -6.1 | -178.8 | -177.9 | 0 | 0 | 0 | 0 | 114 | V402 | V402-S404 PolarHBondContact O-N 2.92Å; V402-S404 VanDerWaalsContact O-N 3.09Å |
| 405 | Y | 65.2 | Low | 54.2 | Low | 163 Ų | 163 | 116.7 Ų | 116.7 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -16.7 | 176.3 | -150.5 | -103.1 | 0 | 0 | 0 | 113.4 | D403 E407 C408 Y409 | D403-Y405 PolarHBondContact O-N 3.5Å; Y405-E407 VanDerWaalsContact C-N 3.28Å; Y405-E407 PolarHBondContact O-N 2.72Å; Y405-C408 PolarHBondContact O-N 3.27Å; Y405-Y409 HydrophobicContact CE1-CE2 4.48Å |
| 406 | A | 63.1 | Low | 55.1 | Low | 80 Ų | 80 | 116 Ų | 116 | 66% | 0.661 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -73.7 | -16.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D403 C408 | D403-A406 WeakPolarHBondContact O-CB 3.26Å; D403-A406 PolarHBondContact O-N 2.89Å; A406-C408 VanDerWaalsContact C-N 3.33Å |
| 407 | E | 66.6 | Low | 55.9 | Low | 152 Ų | 152 | 116.2 Ų | 116.2 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -77.5 | -17.4 | 176.5 | -65.6 | -177.6 | 177.5 | 0 | 0 | 113.1 | Y405 Y409 | Y405-E407 VanDerWaalsContact C-N 3.28Å; Y405-E407 PolarHBondContact O-N 2.72Å; E407-Y409 VanDerWaalsContact C-N 3.34Å; E407-Y409 PolarHBondContact O-N 3.45Å |
| 408 | C | 71.1 | Confident | 56.8 | Low | 80 Ų | 80 | 117 Ų | 117 | 54% | 0.541 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -82.4 | -4.9 | -176.9 | -68.1 | 0 | 0 | 0 | 0 | 114.5 | Y405 A406 | Y405-C408 PolarHBondContact O-N 3.27Å; A406-C408 VanDerWaalsContact C-N 3.33Å |
| 409 | Y | 70.7 | Confident | 57.6 | Low | 162 Ų | 162 | 114.7 Ų | 114.7 | 64% | 0.635 | 70% | 0.702 | S | S | * | * | trans | -139.6 | 79.4 | 178.2 | -67.6 | -80.5 | 0 | 0 | 0 | 111.6 | Y405 E407 G411 G412 | Y405-Y409 HydrophobicContact CE1-CE2 4.48Å; E407-Y409 VanDerWaalsContact C-N 3.34Å; E407-Y409 PolarHBondContact O-N 3.45Å; Y409-G411 PolarHBondContact O-N 2.9Å; Y409-G412 PolarHBondContact O-N 3.02Å | ||
| 410 | P | 61.2 | Low | 58.6 | Low | 134 Ų | 134 | 115.1 Ų | 115.1 | 87% | 0.87 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 25.8 | -175.8 | -13.7 | 29.8 | 0 | 0 | 0 | 115 | ||
| 411 | G | 62.4 | Low | 59 | Low | 51 Ų | 51 | 117.5 Ų | 117.5 | 53% | 0.526 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -152.8 | -0.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y409 | Y409-G411 PolarHBondContact O-N 2.9Š|
| 412 | G | 60.1 | Low | 59.5 | Low | 50 Ų | 50 | 117.8 Ų | 117.8 | 52% | 0.515 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -25.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y409 | Y409-G412 PolarHBondContact O-N 3.02Š|
| 413 | L | 58.3 | Low | 59.6 | Low | 172 Ų | 172 | 117.4 Ų | 117.4 | 90% | 0.901 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -13.4 | -178.2 | -142.6 | 76.9 | 0 | 0 | 0 | 113.5 | ||
| 414 | A | 57.6 | Low | 59.8 | Low | 78 Ų | 78 | 118.4 Ų | 118.4 | 65% | 0.645 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -89.7 | -13.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 415 | L | 59.7 | Low | 59.7 | Low | 136 Ų | 136 | 123.5 Ų | 123.5 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -93.8 | -14 | -175.2 | -161.8 | 64.4 | 0 | 0 | 0 | 113.5 | ||
| 416 | F | 56.1 | Low | 59.5 | Low | 191 Ų | 191 | 119.2 Ų | 119.2 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -94.2 | -12.9 | -178.6 | -111.6 | -92.4 | 0 | 0 | 0 | 114.4 | ||
| 417 | D | 57.5 | Low | 59.1 | Low | 152 Ų | 152 | 122.6 Ų | 122.6 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -89.8 | -8.4 | 178 | -158.5 | 32.8 | 0 | 0 | 0 | 112.8 | ||
| 418 | A | 57.2 | Low | 58.8 | Low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -105.3 | 8.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 419 | A | 59.5 | Low | 58.6 | Low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -115.7 | 13.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 420 | G | 58.4 | Low | 57.9 | Low | 71 Ų | 71 | 125 Ų | 125 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | -112.2 | 9.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 421 | D | 46.5 | Very low | 57.8 | Low | 171 Ų | 171 | 126.4 Ų | 126.4 | 91% | 0.914 | 74% | 0.735 | S | S | * | * | trans | -104.8 | 87.2 | -170.7 | -153.6 | 16.7 | 0 | 0 | 0 | 111.5 | ||||
| 422 | S | 57.1 | Low | 57.5 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -165.9 | 128.9 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 423 | D | 53.9 | Low | 57.3 | Low | 130 Ų | 130 | 129.3 Ų | 129.3 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | -174.9 | 154.6 | 10.3 | -172.9 | 9.2 | 0 | 0 | 0 | 104.8 | ||||
| 424 | D | 53.5 | Low | 57.4 | Low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | trans | 61.4 | 89.2 | 166.5 | -65.5 | -35.1 | 0 | 0 | 0 | 121.5 | ||||
| 425 | E | 57.5 | Low | 57.6 | Low | 197 Ų | 197 | 127.9 Ų | 127.9 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -128.4 | 128.5 | 151.5 | -83.6 | -169.7 | 164.5 | 0 | 0 | 112.9 | ||||
| 426 | A | 61.7 | Low | 57.9 | Low | 72 Ų | 72 | 126.7 Ų | 126.7 | 60% | 0.595 | 70% | 0.699 | S | S | * | * | trans | -58.9 | 133.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y428 | A426-Y428 HydrophobicContact CB-CD2 4.33Å; A426-Y428 HydrophobicContact CB-CE2 3.79Å; A426-Y428 WeakPolarHBondContact O-CD2 3.3Å; A426-Y428 PolarHBondContact O-N 3.46Å | ||
| 427 | D | 55.5 | Low | 58.3 | Low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 69% | 0.691 | S | S | * | * | trans | -78.7 | 77.3 | -169.3 | -145.8 | -3.3 | 0 | 0 | 0 | 112.3 | S429 | D427-S429 PolarHBondContact O-N 3.31Š| ||
| 428 | Y | 59.8 | Low | 58.9 | Low | 182 Ų | 182 | 119.7 Ų | 119.7 | 71% | 0.714 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -77.1 | 10.1 | 176.8 | -66.5 | -71.9 | 0 | 0 | 0 | 114 | A426 K430 | A426-Y428 HydrophobicContact CB-CD2 4.33Å; A426-Y428 HydrophobicContact CB-CE2 3.79Å; A426-Y428 WeakPolarHBondContact O-CD2 3.3Å; A426-Y428 PolarHBondContact O-N 3.46Å; Y428-K430 PolarHBondContact O-N 2.71Å |
| 429 | S | 67.2 | Low | 59.7 | Low | 81 Ų | 81 | 121.5 Ų | 121.5 | 57% | 0.566 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -61.3 | -11 | -176.5 | 180 | 0 | 0 | 0 | 0 | 114.8 | D427 | D427-S429 PolarHBondContact O-N 3.31Š|
| 430 | K | 56.2 | Low | 60.4 | Low | 182 Ų | 182 | 125.9 Ų | 125.9 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -96.8 | -17.9 | -171.2 | -134.6 | 171.6 | -172.8 | 172.4 | 0 | 115.7 | Y428 | Y428-K430 PolarHBondContact O-N 2.71Š|
| 431 | M | 58.9 | Low | 61.1 | Low | 163 Ų | 163 | 125.3 Ų | 125.3 | 80% | 0.803 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -18.1 | -179 | -73.1 | 176.7 | 64.5 | 0 | 0 | 113.8 | ||
| 432 | D | 56.2 | Low | 62.6 | Low | 70 Ų | 70 | 119.9 Ų | 119.9 | 37% | 0.374 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -84.9 | -14.7 | -177.7 | -106.6 | 8.5 | 0 | 0 | 0 | 114.2 | V434 E435 K436 | D432-V434 VanDerWaalsContact C-N 3.3Å; D432-V434 PolarHBondContact O-N 3.49Å; D432-E435 PolarHBondContact O-N 3.47Å; D432-K436 HydrophobicContact CB-CD 4.08Å; D432-K436 WeakPolarHBondContact O-CB 3.32Å; D432-K436 WeakPolarHBondContact O-CG 3.31Å; D432-K436 PolarHBondContact O-N 3.44Å; D432-K436 WeakPolarHBondContact OD2-CE 2.73Å; D432-K436 IonicContact OD2-NZ 2.72Å; D432-K436 PolarHBondContact OD2-NZ 2.78Å |
| 433 | L | 56 | Low | 63.6 | Low | 92 Ų | 92 | 124 Ų | 124 | 48% | 0.482 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.2 | -34.1 | -175.3 | -73.7 | 166.8 | 0 | 0 | 0 | 111.7 | M437 | L433-M437 WeakPolarHBondContact O-CB 3.35Å; L433-M437 WeakPolarHBondContact O-CG 3.32Å; L433-M437 PolarHBondContact O-N 2.65Å |
| 434 | V | 59 | Low | 64.8 | Low | 116 Ų | 116 | 122.6 Ų | 122.6 | 70% | 0.703 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.5 | -43.1 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | D432 M437 A438 | D432-V434 VanDerWaalsContact C-N 3.3Å; D432-V434 PolarHBondContact O-N 3.49Å; V434-M437 PolarHBondContact O-N 3.48Å; V434-A438 PolarHBondContact O-N 2.82Å |
| 435 | E | 63.2 | Low | 66.1 | Low | 105 Ų | 105 | 118.9 Ų | 118.9 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -75.3 | -35 | 178.7 | -152.5 | -171.6 | 157 | 0 | 0 | 112.1 | D432 A438 K439 | D432-E435 PolarHBondContact O-N 3.47Å; E435-A438 PolarHBondContact O-N 3.05Å; E435-K439 WeakPolarHBondContact O-CB 3.27Å; E435-K439 WeakPolarHBondContact O-CG 3.41Å; E435-K439 PolarHBondContact O-N 2.69Å; E435-K439 WeakPolarHBondContact OE1-CE 3.22Å; E435-K439 IonicContact OE1-NZ 3.22Å; E435-K439 PolarHBondContact OE1-NZ 2.86Å |
| 436 | K | 65.4 | Low | 67.2 | Low | 111 Ų | 111 | 114.2 Ų | 114.2 | 48% | 0.483 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.5 | -36.5 | 173 | -72.5 | 172 | -173.5 | 161.7 | 0 | 111.7 | D432 R440 | D432-K436 HydrophobicContact CB-CD 4.08Å; D432-K436 WeakPolarHBondContact O-CB 3.32Å; D432-K436 WeakPolarHBondContact O-CG 3.31Å; D432-K436 PolarHBondContact O-N 3.44Å; D432-K436 WeakPolarHBondContact OD2-CE 2.73Å; D432-K436 IonicContact OD2-NZ 2.72Å; D432-K436 PolarHBondContact OD2-NZ 2.78Å; K436-R440 VanDerWaalsContact O-CB 3.28Å; K436-R440 WeakPolarHBondContact O-CB 3.43Å; K436-R440 VanDerWaalsContact O-CG 3.32Å; K436-R440 WeakPolarHBondContact O-CG 3.25Å; K436-R440 PolarHBondContact O-N 2.7Å |
| 437 | M | 65.2 | Low | 68 | Low | 135 Ų | 135 | 117 Ų | 117 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.7 | -42 | 172.9 | -79.8 | -171.3 | 173.3 | 0 | 0 | 111.9 | L433 V434 R440 A441 | L433-M437 WeakPolarHBondContact O-CB 3.35Å; L433-M437 WeakPolarHBondContact O-CG 3.32Å; L433-M437 PolarHBondContact O-N 2.65Å; V434-M437 PolarHBondContact O-N 3.48Å; M437-R440 PolarHBondContact O-N 3.25Å; M437-A441 WeakPolarHBondContact O-CB 3.26Å; M437-A441 PolarHBondContact O-N 3.2Å |
| 438 | A | 69.4 | Low | 69.3 | Low | 61 Ų | 61 | 114.4 Ų | 114.4 | 50% | 0.504 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V434 E435 R440 A441 A442 | V434-A438 PolarHBondContact O-N 2.82Å; E435-A438 PolarHBondContact O-N 3.05Å; A438-R440 PolarHBondContact O-N 3.25Å; A438-A441 PolarHBondContact O-N 2.95Å; A438-A442 WeakPolarHBondContact O-CB 3.33Å; A438-A442 PolarHBondContact O-N 3.49Å |
| 439 | K | 74.4 | Confident | 70.2 | Confident | 122 Ų | 122 | 113.2 Ų | 113.2 | 53% | 0.53 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.5 | -35 | 175.8 | -72.8 | 172.8 | -175.5 | 164.1 | 0 | 112.4 | E435 R443 | E435-K439 WeakPolarHBondContact O-CB 3.27Å; E435-K439 WeakPolarHBondContact O-CG 3.41Å; E435-K439 PolarHBondContact O-N 2.69Å; E435-K439 WeakPolarHBondContact OE1-CE 3.22Å; E435-K439 IonicContact OE1-NZ 3.22Å; E435-K439 PolarHBondContact OE1-NZ 2.86Å; K439-R443 PolarHBondContact O-N 2.92Å; K439-R443 VanDerWaalsContact O-N 3.09Å |
| 440 | R | 72.4 | Confident | 70.8 | Confident | 182 Ų | 182 | 117 Ų | 117 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.7 | -42.7 | 173.8 | -82.4 | 179.1 | 165.6 | 170.4 | -2.9 | 112.1 | K436 M437 A438 A442 R443 L444 | K436-R440 VanDerWaalsContact O-CB 3.28Å; K436-R440 WeakPolarHBondContact O-CB 3.43Å; K436-R440 VanDerWaalsContact O-CG 3.32Å; K436-R440 WeakPolarHBondContact O-CG 3.25Å; K436-R440 PolarHBondContact O-N 2.7Å; M437-R440 PolarHBondContact O-N 3.25Å; A438-R440 PolarHBondContact O-N 3.25Å; R440-A442 PolarHBondContact O-N 2.88Å; R440-R443 PolarHBondContact O-N 3.41Å; R440-L444 WeakPolarHBondContact O-CB 3.41Å; R440-L444 PolarHBondContact O-N 3.36Å |
| 441 | A | 75.1 | Confident | 71.8 | Confident | 59 Ų | 59 | 110.9 Ų | 110.9 | 49% | 0.488 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M437 A438 R443 L444 S445 | M437-A441 WeakPolarHBondContact O-CB 3.26Å; M437-A441 PolarHBondContact O-N 3.2Å; A438-A441 PolarHBondContact O-N 2.95Å; A441-R443 PolarHBondContact O-N 2.94Å; A441-L444 PolarHBondContact O-N 3.15Å; A441-S445 PolarHBondContact O-N 2.79Å; A441-S445 PolarHBondContact O-OG 3.13Å |
| 442 | A | 77.3 | Confident | 72.8 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -34.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | A438 R440 S445 L446 | A438-A442 WeakPolarHBondContact O-CB 3.33Å; A438-A442 PolarHBondContact O-N 3.49Å; R440-A442 PolarHBondContact O-N 2.88Å; A442-S445 PolarHBondContact O-OG 3.3Å; A442-S445 VanDerWaalsContact O-OG 3.06Å; A442-L446 WeakPolarHBondContact O-CB 3.3Å; A442-L446 PolarHBondContact O-N 3.4Å |
| 443 | R | 77.9 | Confident | 73.9 | Confident | 194 Ų | 194 | 112 Ų | 112 | 73% | 0.732 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.6 | -40.8 | 172.9 | -84.5 | -178.5 | 172.2 | 167.1 | -1.1 | 112.2 | K439 R440 A441 L446 Q447 | K439-R443 PolarHBondContact O-N 2.92Å; K439-R443 VanDerWaalsContact O-N 3.09Å; R440-R443 PolarHBondContact O-N 3.41Å; A441-R443 PolarHBondContact O-N 2.94Å; R443-L446 PolarHBondContact O-N 3.22Å; R443-Q447 WeakPolarHBondContact O-CG 3.48Å; R443-Q447 PolarHBondContact O-N 2.74Å |
| 444 | L | 79.5 | Confident | 74.7 | Confident | 100 Ų | 100 | 115 Ų | 115 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.3 | -45.6 | 176.8 | -96.7 | 149.8 | 0 | 0 | 0 | 111.7 | R440 A441 L446 Q447 I448 | R440-L444 WeakPolarHBondContact O-CB 3.41Å; R440-L444 PolarHBondContact O-N 3.36Å; A441-L444 PolarHBondContact O-N 3.15Å; L444-L446 VanDerWaalsContact C-N 3.33Å; L444-L446 PolarHBondContact O-N 2.69Å; L444-Q447 PolarHBondContact O-N 3.4Å; L444-I448 VanDerWaalsContact O-CG1 3.31Å; L444-I448 WeakPolarHBondContact O-CG1 3.38Å; L444-I448 PolarHBondContact O-N 3.4Å |
| 445 | S | 79.9 | Confident | 75.3 | Confident | 65 Ų | 65 | 113.8 Ų | 113.8 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -38.8 | 177 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | A441 A442 I448 F449 | A441-S445 PolarHBondContact O-N 2.79Å; A441-S445 PolarHBondContact O-OG 3.13Å; A442-S445 PolarHBondContact O-OG 3.3Å; A442-S445 VanDerWaalsContact O-OG 3.06Å; S445-I448 PolarHBondContact O-N 3.27Å; S445-F449 PolarHBondContact O-N 3.07Å |
| 446 | L | 80.7 | Confident | 75.5 | Confident | 98 Ų | 98 | 114.9 Ų | 114.9 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.7 | -31.6 | 177.2 | -153.9 | 76 | 0 | 0 | 0 | 112.9 | A442 R443 L444 R450 | A442-L446 WeakPolarHBondContact O-CB 3.3Å; A442-L446 PolarHBondContact O-N 3.4Å; R443-L446 PolarHBondContact O-N 3.22Å; L444-L446 VanDerWaalsContact C-N 3.33Å; L444-L446 PolarHBondContact O-N 2.69Å; L446-R450 WeakPolarHBondContact O-CB 3.4Å; L446-R450 WeakPolarHBondContact O-CG 3.26Å; L446-R450 PolarHBondContact O-N 2.96Å; L446-R450 VanDerWaalsContact O-N 3.09Å |
| 447 | Q | 78.3 | Confident | 75.4 | Confident | 131 Ų | 131 | 116.6 Ų | 116.6 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69 | -43.2 | 172 | -82.7 | -176.2 | -15.8 | 0 | 0 | 111.5 | R443 L444 R450 A451 | R443-Q447 WeakPolarHBondContact O-CG 3.48Å; R443-Q447 PolarHBondContact O-N 2.74Å; L444-Q447 PolarHBondContact O-N 3.4Å; Q447-R450 PolarHBondContact O-N 2.8Å; Q447-A451 WeakPolarHBondContact O-CB 3.35Å; Q447-A451 PolarHBondContact O-N 2.81Å |
| 448 | I | 82.6 | Confident | 75.1 | Confident | 97 Ų | 97 | 115.5 Ų | 115.5 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -45.9 | 175.9 | -66.8 | 165.4 | 0 | 0 | 0 | 110.4 | L444 S445 R450 A451 I452 | L444-I448 VanDerWaalsContact O-CG1 3.31Å; L444-I448 WeakPolarHBondContact O-CG1 3.38Å; L444-I448 PolarHBondContact O-N 3.4Å; S445-I448 PolarHBondContact O-N 3.27Å; I448-R450 VanDerWaalsContact C-N 3.32Å; I448-R450 PolarHBondContact O-N 3.09Å; I448-A451 PolarHBondContact O-N 3.19Å; I448-A451 VanDerWaalsContact O-N 3.16Å; I448-I452 HydrophobicContact CG2-CD1 3.76Å; I448-I452 HydrophobicContact CG2-CG1 4.38Å; I448-I452 WeakPolarHBondContact O-CG1 3.36Å; I448-I452 PolarHBondContact O-N 3.47Å |
| 449 | F | 79.2 | Confident | 74.6 | Confident | 156 Ų | 156 | 118.3 Ų | 118.3 | 68% | 0.684 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.3 | -38.4 | 176.1 | -117.3 | -88.8 | 0 | 0 | 0 | 112.6 | S445 K453 | S445-F449 PolarHBondContact O-N 3.07Å; F449-K453 VanDerWaalsContact O-CB 3.3Å; F449-K453 WeakPolarHBondContact O-CB 3.43Å; F449-K453 PolarHBondContact O-N 3.05Å |
| 450 | R | 80.5 | Confident | 73.5 | Confident | 160 Ų | 160 | 115 Ų | 115 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.2 | -38.1 | 174.5 | -83 | -176.6 | 165 | 108.1 | -3.1 | 112.5 | L446 Q447 I448 K454 | L446-R450 WeakPolarHBondContact O-CB 3.4Å; L446-R450 WeakPolarHBondContact O-CG 3.26Å; L446-R450 PolarHBondContact O-N 2.96Å; L446-R450 VanDerWaalsContact O-N 3.09Å; Q447-R450 PolarHBondContact O-N 2.8Å; I448-R450 VanDerWaalsContact C-N 3.32Å; I448-R450 PolarHBondContact O-N 3.09Å; R450-K454 WeakPolarHBondContact O-CG 3.5Å; R450-K454 PolarHBondContact O-N 2.85Å |
| 451 | A | 76 | Confident | 72.4 | Confident | 54 Ų | 54 | 110.5 Ų | 110.5 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.7 | -48 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q447 I448 K453 K454 V455 | Q447-A451 WeakPolarHBondContact O-CB 3.35Å; Q447-A451 PolarHBondContact O-N 2.81Å; I448-A451 PolarHBondContact O-N 3.19Å; I448-A451 VanDerWaalsContact O-N 3.16Å; A451-K453 VanDerWaalsContact C-N 3.32Å; A451-K453 PolarHBondContact O-N 3.42Å; A451-K454 PolarHBondContact O-N 3Å; A451-K454 VanDerWaalsContact O-N 3.16Å; A451-V455 WeakPolarHBondContact O-CG2 3.5Å; A451-V455 PolarHBondContact O-N 2.84Å |
| 452 | I | 80.6 | Confident | 70.9 | Confident | 93 Ų | 93 | 112.9 Ų | 112.9 | 48% | 0.477 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.9 | -43.3 | 176.5 | -65.3 | 168.7 | 0 | 0 | 0 | 110.5 | I448 K454 V455 L456 | I448-I452 HydrophobicContact CG2-CD1 3.76Å; I448-I452 HydrophobicContact CG2-CG1 4.38Å; I448-I452 WeakPolarHBondContact O-CG1 3.36Å; I448-I452 PolarHBondContact O-N 3.47Å; I452-K454 PolarHBondContact O-N 3.26Å; I452-V455 PolarHBondContact O-N 3.41Å; I452-L456 WeakPolarHBondContact O-CB 3.43Å; I452-L456 PolarHBondContact O-N 2.8Å |
| 453 | K | 78.5 | Confident | 69.3 | Low | 164 Ų | 164 | 117.1 Ų | 117.1 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65 | -35.7 | 177.5 | -166.7 | 172.5 | -176.3 | 173.2 | 0 | 112.8 | F449 A451 F457 | F449-K453 VanDerWaalsContact O-CB 3.3Å; F449-K453 WeakPolarHBondContact O-CB 3.43Å; F449-K453 PolarHBondContact O-N 3.05Å; A451-K453 VanDerWaalsContact C-N 3.32Å; A451-K453 PolarHBondContact O-N 3.42Å; K453-F457 VanDerWaalsContact O-CB 3.28Å; K453-F457 WeakPolarHBondContact O-CB 3.26Å; K453-F457 PolarHBondContact O-N 2.96Å |
| 454 | K | 73.6 | Confident | 67.4 | Low | 155 Ų | 155 | 114.2 Ų | 114.2 | 67% | 0.674 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.1 | -42.5 | 173.4 | -80.7 | -179 | 177.9 | -179.1 | 0 | 111.8 | R450 A451 I452 F457 V458 | R450-K454 WeakPolarHBondContact O-CG 3.5Å; R450-K454 PolarHBondContact O-N 2.85Å; A451-K454 PolarHBondContact O-N 3Å; A451-K454 VanDerWaalsContact O-N 3.16Å; I452-K454 PolarHBondContact O-N 3.26Å; K454-F457 PolarHBondContact O-N 3.36Å; K454-V458 VanDerWaalsContact O-CG2 3.32Å; K454-V458 WeakPolarHBondContact O-CG2 3.38Å; K454-V458 PolarHBondContact O-N 3.09Å |
| 455 | V | 71 | Confident | 65.5 | Low | 91 Ų | 91 | 114.9 Ų | 114.9 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.2 | -44.1 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | A451 I452 F457 V458 V459 | A451-V455 WeakPolarHBondContact O-CG2 3.5Å; A451-V455 PolarHBondContact O-N 2.84Å; I452-V455 PolarHBondContact O-N 3.41Å; V455-F457 VanDerWaalsContact C-N 3.31Å; V455-F457 PolarHBondContact O-N 2.99Å; V455-V458 PolarHBondContact O-N 3.38Å; V455-V459 HydrophobicContact CG1-CG2 4.42Å; V455-V459 WeakPolarHBondContact O-CB 3.22Å; V455-V459 WeakPolarHBondContact O-CG2 3.46Å; V455-V459 PolarHBondContact O-N 3.18Å |
| 456 | L | 67.4 | Low | 63.4 | Low | 128 Ų | 128 | 122.4 Ų | 122.4 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.6 | -33.6 | 175.5 | -127.1 | 79.6 | 0 | 0 | 0 | 112.6 | I452 G460 | I452-L456 WeakPolarHBondContact O-CB 3.43Å; I452-L456 PolarHBondContact O-N 2.8Å; L456-G460 WeakPolarHBondContact O-CA 3.42Å; L456-G460 PolarHBondContact O-N 3.32Å |
| 457 | F | 63.5 | Low | 61.2 | Low | 146 Ų | 146 | 124.7 Ų | 124.7 | 64% | 0.64 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.1 | -35.7 | 175.8 | -169.9 | -99.6 | 0 | 0 | 0 | 112.3 | K453 K454 V455 T461 | K453-F457 VanDerWaalsContact O-CB 3.28Å; K453-F457 WeakPolarHBondContact O-CB 3.26Å; K453-F457 PolarHBondContact O-N 2.96Å; K454-F457 PolarHBondContact O-N 3.36Å; V455-F457 VanDerWaalsContact C-N 3.31Å; V455-F457 PolarHBondContact O-N 2.99Å; F457-T461 HydrophobicContact CD1-CG2 4.31Å; F457-T461 HydrophobicContact CD2-CG2 4.27Å; F457-T461 HydrophobicContact CE1-CG2 4.09Å; F457-T461 HydrophobicContact CE2-CG2 4.05Å; F457-T461 HydrophobicContact CG-CG2 4.4Å; F457-T461 HydrophobicContact CZ-CG2 3.96Å; F457-T461 WeakPolarHBondContact O-CB 3.19Å; F457-T461 WeakPolarHBondContact O-CG2 3.43Å; F457-T461 PolarHBondContact O-N 3.39Å; F457-T461 PolarHBondContact O-OG1 2.81Å |
| 458 | V | 60 | Low | 59.6 | Low | 112 Ų | 112 | 125 Ų | 125 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.5 | -35 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | K454 V455 | K454-V458 VanDerWaalsContact O-CG2 3.32Å; K454-V458 WeakPolarHBondContact O-CG2 3.38Å; K454-V458 PolarHBondContact O-N 3.09Å; V455-V458 PolarHBondContact O-N 3.38Å |
| 459 | V | 58.7 | Low | 57.4 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82.1 | -24.8 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | V455 | V455-V459 HydrophobicContact CG1-CG2 4.42Å; V455-V459 WeakPolarHBondContact O-CB 3.22Å; V455-V459 WeakPolarHBondContact O-CG2 3.46Å; V455-V459 PolarHBondContact O-N 3.18Å |
| 460 | G | 51.2 | Low | 55.4 | Low | 53 Ų | 53 | 131.3 Ų | 131.3 | 55% | 0.546 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -92.5 | -2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L456 S462 | L456-G460 WeakPolarHBondContact O-CA 3.42Å; L456-G460 PolarHBondContact O-N 3.32Å; G460-S462 PolarHBondContact O-N 3.49Å |
| 461 | T | 48.3 | Very low | 53.2 | Low | 87 Ų | 87 | 130.8 Ų | 130.8 | 53% | 0.534 | 71% | 0.706 | S | S | . | * | trans | -100.8 | 60.2 | -178.2 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | F457 | F457-T461 HydrophobicContact CD1-CG2 4.31Å; F457-T461 HydrophobicContact CD2-CG2 4.27Å; F457-T461 HydrophobicContact CE1-CG2 4.09Å; F457-T461 HydrophobicContact CE2-CG2 4.05Å; F457-T461 HydrophobicContact CG-CG2 4.4Å; F457-T461 HydrophobicContact CZ-CG2 3.96Å; F457-T461 WeakPolarHBondContact O-CB 3.19Å; F457-T461 WeakPolarHBondContact O-CG2 3.43Å; F457-T461 PolarHBondContact O-N 3.39Å; F457-T461 PolarHBondContact O-OG1 2.81Å | ||
| 462 | S | 43.2 | Very low | 51.4 | Low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -127.4 | 44 | 160.5 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | G460 | G460-S462 PolarHBondContact O-N 3.49Š| ||
| 463 | I | 44.2 | Very low | 49.2 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | -145.7 | 108.5 | 168.5 | -53.8 | 177.8 | 0 | 0 | 0 | 107.3 | S465 | I463-S465 PolarHBondContact O-N 3.32Å; I463-S465 VanDerWaalsContact O-N 3.17Å | ||
| 464 | P | 38.9 | Very low | 47.2 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -83.8 | 96.3 | 178.5 | 32.4 | -27.6 | 0 | 0 | 0 | 108.3 | ||||
| 465 | S | 38.3 | Very low | 45.5 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -97.3 | 128.7 | 166.6 | -159.7 | 0 | 0 | 0 | 0 | 110.3 | I463 | I463-S465 PolarHBondContact O-N 3.32Å; I463-S465 VanDerWaalsContact O-N 3.17Å | ||
| 466 | R | 36.5 | Very low | 43.8 | Very low | 222 Ų | 222 | 143.9 Ų | 143.9 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -68.7 | 153.7 | -174.5 | -64.7 | 170.4 | 177 | 177 | -2.5 | 110.8 | ||||
| 467 | N | 34 | Very low | 42.7 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 76.2 | 107.1 | 164.8 | -54.7 | -24.7 | 0 | 0 | 0 | 116 | ||||
| 468 | T | 44.9 | Very low | 41.5 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | -174.3 | 135.7 | 124.7 | 34.4 | 0 | 0 | 0 | 0 | 110.9 | L470 | T468-L470 PolarHBondContact O-N 2.85Š| |||
| 469 | K | 36.5 | Very low | 40.3 | Very low | 216 Ų | 216 | 142.5 Ų | 142.5 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -45.9 | 125.2 | 171 | -104.1 | 164.5 | 166.7 | 173.8 | 0 | 111.2 | ||||
| 470 | L | 36.7 | Very low | 39.3 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -106 | 103.4 | 167.7 | -94.6 | 158.3 | 0 | 0 | 0 | 110 | T468 | T468-L470 PolarHBondContact O-N 2.85Š| ||
| 471 | E | 35.9 | Very low | 38.7 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | trans | -65.9 | 122.6 | 168.7 | -167.2 | -174.9 | 144.3 | 0 | 0 | 109.4 | R473 | E471-R473 IonicContact OE1-CZ 2.65Å; E471-R473 IonicContact OE1-NH2 3.6Å; E471-R473 PolarHBondContact OE1-NH2 2.75Å | ||
| 472 | K | 37.8 | Very low | 38.2 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -80.6 | 121.8 | 177.1 | -66.7 | -179.9 | -179.8 | 178.7 | 0 | 109.3 | ||||
| 473 | R | 33.3 | Very low | 37.9 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 73% | 0.725 | 82% | 0.82 | S | S | * | * | trans | -132.2 | 97.6 | 167.8 | -159.5 | 176.1 | -67.3 | -175.6 | 2.4 | 109.2 | E471 | E471-R473 IonicContact OE1-CZ 2.65Å; E471-R473 IonicContact OE1-NH2 3.6Å; E471-R473 PolarHBondContact OE1-NH2 2.75Å | ||
| 474 | C | 36.7 | Very low | 37.5 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -97 | 118.9 | 168.1 | -68.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 475 | R | 39.6 | Very low | 37.7 | Very low | 232 Ų | 232 | 152.7 Ų | 152.7 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 123.7 | 167.7 | -70 | -174.8 | -174 | -168.8 | 0.7 | 108.1 | ||
| 476 | G | 35 | Very low | 38.1 | Very low | 77 Ų | 77 | 152.2 Ų | 152.2 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 140 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 477 | T | 43.3 | Very low | 38.2 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -139.1 | 114.3 | 155.3 | 54.5 | 0 | 0 | 0 | 0 | 102.3 | ||||
| 478 | G | 38.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | 140.5 | 130 | 71.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | |||||
| 479 | V | 35.9 | Very low | 38.3 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -46.2 | 133.9 | -170.8 | -153.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 480 | D | 37.2 | Very low | 38.6 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -165.3 | 139.7 | 135 | -85.8 | -24.4 | 0 | 0 | 0 | 109.7 | ||||
| 481 | S | 38.1 | Very low | 38.4 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -57.1 | 146.2 | -167.3 | 37.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 482 | N | 38.4 | Very low | 38.4 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 67.2 | 41.8 | 154.4 | -60.6 | -8.8 | 0 | 0 | 0 | 119.8 | ||
| 483 | L | 36.4 | Very low | 38.4 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -161.5 | 101.7 | 154 | -161.8 | 61.1 | 0 | 0 | 0 | 111.3 | I485 | L483-I485 VanDerWaalsContact C-N 3.29Å; L483-I485 HydrophobicContact CB-CG1 4.48Å; L483-I485 HydrophobicContact CD2-CD1 3.87Å; L483-I485 HydrophobicContact CD2-CG1 3.77Å; L483-I485 HydrophobicContact CG-CD1 4.4Å; L483-I485 HydrophobicContact CG-CG1 3.77Å; L483-I485 PolarHBondContact O-N 3.03Å | ||
| 484 | M | 36.4 | Very low | 38.6 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -75.3 | 84.5 | 169.9 | -112 | -160.3 | -172.2 | 0 | 0 | 109.5 | I486 | M484-I486 PolarHBondContact O-N 2.81Å; M484-I486 VanDerWaalsContact O-N 3.09Å | ||
| 485 | I | 42.5 | Very low | 38.7 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 59% | 0.59 | 77% | 0.771 | S | S | * | * | trans | -74.6 | 97.3 | 167.6 | -56.1 | 178.7 | 0 | 0 | 0 | 107.7 | L483 R487 | L483-I485 VanDerWaalsContact C-N 3.29Å; L483-I485 HydrophobicContact CB-CG1 4.48Å; L483-I485 HydrophobicContact CD2-CD1 3.87Å; L483-I485 HydrophobicContact CD2-CG1 3.77Å; L483-I485 HydrophobicContact CG-CD1 4.4Å; L483-I485 HydrophobicContact CG-CG1 3.77Å; L483-I485 PolarHBondContact O-N 3.03Å; I485-R487 PolarHBondContact O-N 3.09Å | ||
| 486 | I | 46.9 | Very low | 38.8 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 54% | 0.538 | 76% | 0.763 | S | S | . | * | trans | -71.4 | 104.2 | 174 | -46.8 | 174.2 | 0 | 0 | 0 | 108.7 | M484 Y488 | M484-I486 PolarHBondContact O-N 2.81Å; M484-I486 VanDerWaalsContact O-N 3.09Å; I486-Y488 HydrophobicContact CB-CD2 4.12Å; I486-Y488 HydrophobicContact CB-CE2 3.71Å; I486-Y488 HydrophobicContact CD1-CE2 4.27Å; I486-Y488 HydrophobicContact CG2-CD1 4.39Å; I486-Y488 HydrophobicContact CG2-CD2 3.59Å; I486-Y488 HydrophobicContact CG2-CE1 4.01Å; I486-Y488 HydrophobicContact CG2-CE2 3.12Å; I486-Y488 HydrophobicContact CG2-CG 4.21Å; I486-Y488 PolarHBondContact O-N 3.05Å | ||
| 487 | R | 38.4 | Very low | 38.9 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -78.2 | 100.2 | 169.7 | -70.3 | -172.1 | 179.5 | 130.8 | 4.8 | 109.2 | I485 D489 | I485-R487 PolarHBondContact O-N 3.09Å; R487-D489 PolarHBondContact O-N 3.2Å | ||
| 488 | Y | 43.4 | Very low | 38.7 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 60% | 0.604 | 75% | 0.751 | S | S | * | * | trans | -90.2 | 95.4 | 167.2 | -70.4 | -76.5 | 0 | 0 | 0 | 109.8 | I486 T490 | I486-Y488 HydrophobicContact CB-CD2 4.12Å; I486-Y488 HydrophobicContact CB-CE2 3.71Å; I486-Y488 HydrophobicContact CD1-CE2 4.27Å; I486-Y488 HydrophobicContact CG2-CD1 4.39Å; I486-Y488 HydrophobicContact CG2-CD2 3.59Å; I486-Y488 HydrophobicContact CG2-CE1 4.01Å; I486-Y488 HydrophobicContact CG2-CE2 3.12Å; I486-Y488 HydrophobicContact CG2-CG 4.21Å; I486-Y488 PolarHBondContact O-N 3.05Å; Y488-T490 PolarHBondContact O-N 2.81Å | ||
| 489 | D | 38.2 | Very low | 38.9 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -77.3 | 14.3 | 166.2 | -77.9 | -26 | 0 | 0 | 0 | 112.5 | R487 | R487-D489 PolarHBondContact O-N 3.2Š| ||
| 490 | T | 41.5 | Very low | 39.1 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -137.2 | 120.5 | 177.9 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | Y488 C492 | Y488-T490 PolarHBondContact O-N 2.81Å; T490-C492 PolarHBondContact O-N 2.97Å |
| 491 | V | 33.8 | Very low | 39.2 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -59.2 | 98.7 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 492 | C | 36 | Very low | 39.7 | Very low | 97 Ų | 97 | 147 Ų | 147 | 66% | 0.655 | 76% | 0.76 | S | S | * | * | trans | -108 | 105.8 | 158.9 | -75.5 | 0 | 0 | 0 | 0 | 107.1 | T490 F494 | T490-C492 PolarHBondContact O-N 2.97Å; C492-F494 PolarHBondContact O-N 3.11Å | ||
| 493 | L | 37 | Very low | 40.2 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | -64.6 | 103.6 | 170 | -78.6 | 161.7 | 0 | 0 | 0 | 108.5 | R495 | L493-R495 PolarHBondContact O-N 3.33Š| ||
| 494 | F | 38.5 | Very low | 40.9 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | -68.2 | 113.9 | 151.1 | -80.5 | -82.4 | 0 | 0 | 0 | 106.6 | C492 A496 | C492-F494 PolarHBondContact O-N 3.11Å; F494-A496 PolarHBondContact O-N 2.93Å | ||
| 495 | R | 36.9 | Very low | 41.2 | Very low | 248 Ų | 248 | 147.5 Ų | 147.5 | 94% | 0.936 | 76% | 0.756 | S | S | * | * | trans | -71.9 | 74.7 | 171.9 | -170.8 | 162.7 | 160.7 | 99.6 | -5.9 | 106.8 | L493 A497 | L493-R495 PolarHBondContact O-N 3.33Å; R495-A497 PolarHBondContact O-N 3.42Å | ||
| 496 | A | 42.4 | Very low | 41.1 | Very low | 86 Ų | 86 | 148.8 Ų | 148.8 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | -63.4 | 116.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F494 F498 | F494-A496 PolarHBondContact O-N 2.93Å; A496-F498 PolarHBondContact O-N 3.11Å | ||
| 497 | A | 36.3 | Very low | 40.6 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -71 | 97.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R495 | R495-A497 PolarHBondContact O-N 3.42Š| ||
| 498 | F | 40 | Very low | 40.7 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -149.6 | 83.6 | 162 | -116.5 | -88.6 | 0 | 0 | 0 | 108.4 | I238 A496 | I238-F498 HydrophobicContact CB-CE2 4.33Å; I238-F498 HydrophobicContact CD1-CE2 3.74Å; I238-F498 HydrophobicContact CD1-CZ 4.1Å; I238-F498 HydrophobicContact CG1-CE2 3.97Å; I238-F498 HydrophobicContact CG2-CD2 4.2Å; I238-F498 HydrophobicContact CG2-CE2 3.39Å; I238-F498 HydrophobicContact CG2-CZ 4.05Å; A496-F498 PolarHBondContact O-N 3.11Å | ||
| 499 | Q | 43.6 | Very low | 40.8 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -131.2 | 61.4 | 170.5 | -163.4 | 159.9 | 20.8 | 0 | 0 | 109 | ||||
| 500 | Y | 40.2 | Very low | 40.8 | Very low | 229 Ų | 229 | 149.4 Ų | 149.4 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -125.9 | 113.1 | 160.9 | -97.9 | -90.2 | 0 | 0 | 0 | 106.2 | ||
| 501 | G | 38.7 | Very low | 40.7 | Very low | 77 Ų | 77 | 156 Ų | 156 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 139.4 | -14.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | K503 | G501-K503 PolarHBondContact O-N 3.12Š|
| 502 | V | 47.2 | Very low | 41 | Very low | 125 Ų | 125 | 157.6 Ų | 157.6 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | -94 | 93.4 | 176.6 | -171.6 | 0 | 0 | 0 | 0 | 110 | M504 | V502-M504 VanDerWaalsContact C-N 3.33Å; V502-M504 HydrophobicContact CG1-CG 4.02Å; V502-M504 HydrophobicContact CG1-SD 3.79Å; V502-M504 PolarHBondContact O-N 3.38Å | ||
| 503 | K | 50.8 | Low | 41.2 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 87.4 | 172.5 | -168.9 | 167.7 | -178.3 | 175 | 0 | 109.1 | G501 N505 | G501-K503 PolarHBondContact O-N 3.12Å; K503-N505 PolarHBondContact O-N 2.87Å | ||
| 504 | M | 49.3 | Very low | 41.5 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -74.6 | 113.7 | 171.3 | -62.8 | -69.1 | -113.1 | 0 | 0 | 108.9 | V502 D506 | V502-M504 VanDerWaalsContact C-N 3.33Å; V502-M504 HydrophobicContact CG1-CG 4.02Å; V502-M504 HydrophobicContact CG1-SD 3.79Å; V502-M504 PolarHBondContact O-N 3.38Å; M504-D506 PolarHBondContact O-N 3.25Å | ||
| 505 | N | 43.4 | Very low | 41.6 | Very low | 156 Ų | 156 | 155.9 Ų | 155.9 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 75.1 | 156.8 | -92.9 | 5.8 | 0 | 0 | 0 | 107.7 | K503 | K503-N505 PolarHBondContact O-N 2.87Š| ||
| 506 | D | 41.3 | Very low | 42.1 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -157 | 122.3 | 165.1 | -117.5 | -24.3 | 0 | 0 | 0 | 110 | M504 R508 | M504-D506 PolarHBondContact O-N 3.25Å; D506-R508 PolarHBondContact O-N 3.24Å |
| 507 | G | 36.3 | Very low | 42.5 | Very low | 80 Ų | 80 | 149 Ų | 149 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -63.2 | 80 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K509 | G507-K509 VanDerWaalsContact C-N 3.34Å; G507-K509 PolarHBondContact O-N 2.94Å; G507-K509 VanDerWaalsContact O-N 3.12Å | ||
| 508 | R | 40 | Very low | 43.4 | Very low | 230 Ų | 230 | 149.5 Ų | 149.5 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | trans | -75.1 | 97.5 | 152.9 | -87.6 | -176.6 | 174.9 | -166.8 | -0.5 | 106.9 | D506 T510 | D506-R508 PolarHBondContact O-N 3.24Å; R508-T510 PolarHBondContact O-N 3.43Å | ||
| 509 | K | 46 | Very low | 44.5 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | trans | -38.1 | 105.7 | 140.5 | -73.5 | 177.1 | 178.7 | 172.7 | 0 | 105.3 | G507 R511 | G507-K509 VanDerWaalsContact C-N 3.34Å; G507-K509 PolarHBondContact O-N 2.94Å; G507-K509 VanDerWaalsContact O-N 3.12Å; K509-R511 PolarHBondContact O-N 2.99Å | ||
| 510 | T | 38.7 | Very low | 45.8 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | trans | -48.9 | 125.8 | 157.6 | 53.5 | 0 | 0 | 0 | 0 | 103 | R508 K512 | R508-T510 PolarHBondContact O-N 3.43Å; T510-K512 PolarHBondContact O-N 3.4Å | ||
| 511 | R | 38.8 | Very low | 47.5 | Very low | 235 Ų | 235 | 140.2 Ų | 140.2 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | trans | -52.7 | 99.5 | 146.3 | -89 | -176.7 | -52.1 | 177.4 | 5.9 | 102.5 | K509 L513 | K509-R511 PolarHBondContact O-N 2.99Å; R511-L513 PolarHBondContact O-N 3.47Å | ||
| 512 | K | 38.7 | Very low | 49.4 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | trans | -50.8 | 90 | 142.4 | -70.2 | -173.5 | 178.5 | -175.9 | 0 | 103.1 | T510 | T510-K512 PolarHBondContact O-N 3.4Š| ||
| 513 | L | 40.5 | Very low | 51.2 | Low | 122 Ų | 122 | 144 Ų | 144 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | -33.2 | 130.6 | 127.9 | -80.5 | 154.7 | 0 | 0 | 0 | 104.8 | R511 R515 | R511-L513 PolarHBondContact O-N 3.47Å; L513-R515 HydrophobicContact CB-CG 4.43Å; L513-R515 PolarHBondContact O-N 3.11Å | |||
| 514 | P | 43.3 | Very low | 52.8 | Low | 85 Ų | 85 | 136.8 Ų | 136.8 | 55% | 0.552 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -66.5 | 64.8 | -167.2 | 28.9 | -35.2 | 0 | 0 | 0 | 112 | G516 K517 | P514-G516 PolarHBondContact O-N 2.77Å; P514-K517 PolarHBondContact O-N 3.39Å |
| 515 | R | 41.4 | Very low | 54.7 | Low | 194 Ų | 194 | 136.2 Ų | 136.2 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 59.9 | 174.8 | -72.6 | -157.4 | -179 | -164.6 | 2.6 | 107.5 | L513 | L513-R515 HydrophobicContact CB-CG 4.43Å; L513-R515 PolarHBondContact O-N 3.11Å |
| 516 | G | 47.1 | Very low | 56.9 | Low | 38 Ų | 38 | 134.2 Ų | 134.2 | 39% | 0.392 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -172.8 | -15.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P514 | P514-G516 PolarHBondContact O-N 2.77Š|
| 517 | K | 50.2 | Low | 59.3 | Low | 151 Ų | 151 | 132.2 Ų | 132.2 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -48.4 | 162.1 | -71.9 | -173.2 | 176.2 | -175.6 | 0 | 110.4 | P514 E519 K520 D521 | P514-K517 PolarHBondContact O-N 3.39Å; K517-E519 PolarHBondContact O-N 2.75Å; K517-K520 PolarHBondContact O-N 2.8Å; K517-D521 WeakPolarHBondContact O-CB 3.35Å; K517-D521 PolarHBondContact O-N 2.8Å; K517-D521 VanDerWaalsContact O-OD2 3.13Å |
| 518 | N | 55.5 | Low | 62.1 | Low | 104 Ų | 104 | 137.2 Ų | 137.2 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.2 | -39.5 | -177.8 | -62.9 | 7 | 0 | 0 | 0 | 114 | D521 E522 | N518-D521 PolarHBondContact O-N 3.38Å; N518-E522 VanDerWaalsContact O-CB 3.31Å; N518-E522 WeakPolarHBondContact O-CB 3.45Å; N518-E522 WeakPolarHBondContact O-CG 3.41Å; N518-E522 PolarHBondContact O-N 3.3Å |
| 519 | E | 63.3 | Low | 64.6 | Low | 130 Ų | 130 | 132 Ų | 132 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.5 | -34.1 | 178 | -77.6 | 176.4 | 179.6 | 0 | 0 | 112.8 | K517 K523 | K517-E519 PolarHBondContact O-N 2.75Å; E519-K523 VanDerWaalsContact O-CB 3.26Å; E519-K523 WeakPolarHBondContact O-CB 3.31Å; E519-K523 PolarHBondContact O-N 3.2Å |
| 520 | K | 70.8 | Confident | 66.9 | Low | 160 Ų | 160 | 130.7 Ų | 130.7 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.8 | -38.6 | 173.8 | -77.5 | -174.9 | 177.3 | -177 | 0 | 111.3 | K517 A524 | K517-K520 PolarHBondContact O-N 2.8Å; K520-A524 VanDerWaalsContact O-CB 3.3Å; K520-A524 WeakPolarHBondContact O-CB 3.36Å; K520-A524 PolarHBondContact O-N 2.99Å |
| 521 | D | 76 | Confident | 69.5 | Low | 91 Ų | 91 | 130.9 Ų | 130.9 | 49% | 0.487 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.5 | -37.8 | 176.2 | -67.6 | -29.4 | 0 | 0 | 0 | 111.8 | K517 N518 A524 K525 | K517-D521 WeakPolarHBondContact O-CB 3.35Å; K517-D521 PolarHBondContact O-N 2.8Å; K517-D521 VanDerWaalsContact O-OD2 3.13Å; N518-D521 PolarHBondContact O-N 3.38Å; D521-A524 PolarHBondContact O-N 2.86Å; D521-K525 WeakPolarHBondContact O-CB 3.33Å; D521-K525 VanDerWaalsContact O-CG 3.27Å; D521-K525 WeakPolarHBondContact O-CG 3.45Å; D521-K525 PolarHBondContact O-N 3.29Å |
| 522 | E | 78.5 | Confident | 72.1 | Confident | 123 Ų | 123 | 126.7 Ų | 126.7 | 58% | 0.575 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.7 | -43.7 | 173.9 | -77.9 | -172.4 | -175 | 0 | 0 | 111.8 | N518 A524 K525 L526 | N518-E522 VanDerWaalsContact O-CB 3.31Å; N518-E522 WeakPolarHBondContact O-CB 3.45Å; N518-E522 WeakPolarHBondContact O-CG 3.41Å; N518-E522 PolarHBondContact O-N 3.3Å; E522-A524 VanDerWaalsContact C-N 3.31Å; E522-A524 PolarHBondContact O-N 3.16Å; E522-K525 PolarHBondContact O-N 3.48Å; E522-L526 WeakPolarHBondContact O-CB 3.33Å; E522-L526 WeakPolarHBondContact O-CG 3.41Å; E522-L526 PolarHBondContact O-N 2.89Å |
| 523 | K | 85.8 | Confident | 74.6 | Confident | 157 Ų | 157 | 122.4 Ų | 122.4 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.8 | -41.3 | 173.6 | -169.8 | 173.8 | -179.1 | 179 | 0 | 111.6 | E519 L526 D527 | E519-K523 VanDerWaalsContact O-CB 3.26Å; E519-K523 WeakPolarHBondContact O-CB 3.31Å; E519-K523 PolarHBondContact O-N 3.2Å; K523-L526 PolarHBondContact O-N 3.26Å; K523-D527 PolarHBondContact O-N 2.85Å |
| 524 | A | 84.9 | Confident | 77 | Confident | 44 Ų | 44 | 119.3 Ų | 119.3 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.3 | -34.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | K520 D521 E522 R528 | K520-A524 VanDerWaalsContact O-CB 3.3Å; K520-A524 WeakPolarHBondContact O-CB 3.36Å; K520-A524 PolarHBondContact O-N 2.99Å; D521-A524 PolarHBondContact O-N 2.86Å; E522-A524 VanDerWaalsContact C-N 3.31Å; E522-A524 PolarHBondContact O-N 3.16Å; A524-R528 WeakPolarHBondContact O-CG 3.28Å; A524-R528 PolarHBondContact O-N 2.8Å; A524-R528 VanDerWaalsContact O-N 3.13Å |
| 525 | K | 88.5 | Confident | 79.3 | Confident | 135 Ų | 135 | 121 Ų | 121 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.6 | -43.7 | 172.3 | -79.3 | 174.5 | -176.7 | 178.5 | 0 | 111.6 | D521 E522 R528 Q529 | D521-K525 WeakPolarHBondContact O-CB 3.33Å; D521-K525 VanDerWaalsContact O-CG 3.27Å; D521-K525 WeakPolarHBondContact O-CG 3.45Å; D521-K525 PolarHBondContact O-N 3.29Å; E522-K525 PolarHBondContact O-N 3.48Å; K525-R528 PolarHBondContact O-N 2.81Å; K525-Q529 WeakPolarHBondContact O-CG 3.47Å; K525-Q529 PolarHBondContact O-N 2.88Å |
| 526 | L | 89.5 | Confident | 81.5 | Confident | 114 Ų | 114 | 115.5 Ų | 115.5 | 60% | 0.597 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.9 | -42.7 | 176.5 | -73.4 | 171.1 | 0 | 0 | 0 | 111.3 | E522 K523 R528 Q529 W530 | E522-L526 WeakPolarHBondContact O-CB 3.33Å; E522-L526 WeakPolarHBondContact O-CG 3.41Å; E522-L526 PolarHBondContact O-N 2.89Å; K523-L526 PolarHBondContact O-N 3.26Å; L526-R528 PolarHBondContact O-N 3.12Å; L526-Q529 PolarHBondContact O-N 3.26Å; L526-W530 WeakPolarHBondContact O-CB 3.17Å; L526-W530 PolarHBondContact O-N 2.96Å |
| 527 | D | 92.2 | Very high | 83.4 | Confident | 100 Ų | 100 | 118.9 Ų | 118.9 | 54% | 0.535 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.9 | -40.7 | 177.8 | -128.2 | 18.1 | 0 | 0 | 0 | 112.2 | K523 W530 Q531 | K523-D527 PolarHBondContact O-N 2.85Å; D527-W530 PolarHBondContact O-N 2.7Å; D527-Q531 WeakPolarHBondContact O-CG 3.27Å; D527-Q531 PolarHBondContact O-N 3.16Å |
| 528 | R | 93.8 | Very high | 85.2 | Confident | 185 Ų | 185 | 114.6 Ų | 114.6 | 70% | 0.698 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.5 | -41.7 | 173.7 | -73.1 | 175.8 | -175.3 | -177.2 | 2.6 | 112.3 | A524 K525 L526 K532 | A524-R528 WeakPolarHBondContact O-CG 3.28Å; A524-R528 PolarHBondContact O-N 2.8Å; A524-R528 VanDerWaalsContact O-N 3.13Å; K525-R528 PolarHBondContact O-N 2.81Å; L526-R528 PolarHBondContact O-N 3.12Å; R528-K532 WeakPolarHBondContact O-CB 3.14Å; R528-K532 PolarHBondContact O-N 2.91Å; R528-K532 VanDerWaalsContact O-N 3.09Å |
| 529 | Q | 93.7 | Very high | 86.7 | Confident | 121 Ų | 121 | 116.2 Ų | 116.2 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -41.1 | 176.3 | -76.5 | -177.4 | -23.6 | 0 | 0 | 111.1 | K525 L526 K532 I533 | K525-Q529 WeakPolarHBondContact O-CG 3.47Å; K525-Q529 PolarHBondContact O-N 2.88Å; L526-Q529 PolarHBondContact O-N 3.26Å; Q529-K532 PolarHBondContact O-N 3.27Å; Q529-I533 WeakPolarHBondContact O-CG1 3.2Å; Q529-I533 PolarHBondContact O-N 3.36Å |
| 530 | W | 92.7 | Very high | 87.6 | Confident | 172 Ų | 172 | 118.5 Ų | 118.5 | 65% | 0.652 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.3 | -46.6 | 176.1 | -176 | -110.2 | 0 | 0 | 0 | 112.4 | L526 D527 K532 I533 S534 | L526-W530 WeakPolarHBondContact O-CB 3.17Å; L526-W530 PolarHBondContact O-N 2.96Å; D527-W530 PolarHBondContact O-N 2.7Å; W530-K532 VanDerWaalsContact C-N 3.3Å; W530-K532 PolarHBondContact O-N 2.89Å; W530-I533 PolarHBondContact O-N 3.47Å; W530-S534 WeakPolarHBondContact O-CB 3.47Å; W530-S534 PolarHBondContact O-N 3.14Å |
| 531 | Q | 94.6 | Very high | 88.1 | Confident | 113 Ų | 113 | 119.8 Ų | 119.8 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.7 | -40.4 | 174.6 | -73.8 | 177.8 | -5.9 | 0 | 0 | 112.2 | D527 S534 Q535 | D527-Q531 WeakPolarHBondContact O-CG 3.27Å; D527-Q531 PolarHBondContact O-N 3.16Å; Q531-S534 PolarHBondContact O-N 2.9Å; Q531-Q535 WeakPolarHBondContact O-CG 3.43Å; Q531-Q535 PolarHBondContact O-N 3.45Å |
| 532 | K | 93.8 | Very high | 88 | Confident | 146 Ų | 146 | 123.2 Ų | 123.2 | 64% | 0.635 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.5 | -41.4 | 177.4 | -165.1 | 170.5 | -176.3 | 177.5 | 0 | 112 | R528 Q529 W530 Q535 I536 | R528-K532 WeakPolarHBondContact O-CB 3.14Å; R528-K532 PolarHBondContact O-N 2.91Å; R528-K532 VanDerWaalsContact O-N 3.09Å; Q529-K532 PolarHBondContact O-N 3.27Å; W530-K532 VanDerWaalsContact C-N 3.3Å; W530-K532 PolarHBondContact O-N 2.89Å; K532-Q535 PolarHBondContact O-N 2.92Å; K532-I536 VanDerWaalsContact O-CG1 3.31Å; K532-I536 WeakPolarHBondContact O-CG1 3.4Å; K532-I536 PolarHBondContact O-N 3.45Å; K532-I536 VanDerWaalsContact O-N 3.11Å |
| 533 | I | 90.1 | Very high | 87.4 | Confident | 85 Ų | 85 | 120.9 Ų | 120.9 | 44% | 0.436 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.3 | -43.6 | 175.4 | -67.6 | 165.5 | 0 | 0 | 0 | 110.6 | Q529 W530 Q535 I536 L537 | Q529-I533 WeakPolarHBondContact O-CG1 3.2Å; Q529-I533 PolarHBondContact O-N 3.36Å; W530-I533 PolarHBondContact O-N 3.47Å; I533-Q535 VanDerWaalsContact C-N 3.35Å; I533-Q535 PolarHBondContact O-N 3.16Å; I533-I536 PolarHBondContact O-N 2.95Å; I533-I536 VanDerWaalsContact O-N 3.14Å; I533-L537 HydrophobicContact CG2-CD1 3.99Å; I533-L537 HydrophobicContact CG2-CG 4.41Å; I533-L537 WeakPolarHBondContact O-CG 3.48Å; I533-L537 PolarHBondContact O-N 2.95Å |
| 534 | S | 91.1 | Very high | 85.9 | Confident | 57 Ų | 57 | 116.5 Ų | 116.5 | 40% | 0.399 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60 | -42.5 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | W530 Q531 I536 L537 S538 | W530-S534 WeakPolarHBondContact O-CB 3.47Å; W530-S534 PolarHBondContact O-N 3.14Å; Q531-S534 PolarHBondContact O-N 2.9Å; S534-I536 PolarHBondContact O-N 3.43Å; S534-L537 PolarHBondContact O-N 3.21Å; S534-S538 PolarHBondContact O-N 3.45Å; S534-S538 PolarHBondContact O-OG 3.06Å |
| 535 | Q | 91.2 | Very high | 84.4 | Confident | 120 Ų | 120 | 123.8 Ų | 123.8 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.7 | -38.2 | 174 | -73.3 | 179.2 | 7.3 | 0 | 0 | 112.9 | Q531 K532 I533 K539 | Q531-Q535 WeakPolarHBondContact O-CG 3.43Å; Q531-Q535 PolarHBondContact O-N 3.45Å; K532-Q535 PolarHBondContact O-N 2.92Å; I533-Q535 VanDerWaalsContact C-N 3.35Å; I533-Q535 PolarHBondContact O-N 3.16Å; Q535-K539 WeakPolarHBondContact O-CB 3.47Å; Q535-K539 VanDerWaalsContact O-CG 3.3Å; Q535-K539 WeakPolarHBondContact O-CG 3.34Å; Q535-K539 PolarHBondContact O-N 3.07Å |
| 536 | I | 88.9 | Confident | 82.4 | Confident | 80 Ų | 80 | 125.2 Ų | 125.2 | 41% | 0.41 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66 | -40.8 | 175.7 | -68 | 165.2 | 0 | 0 | 0 | 110.4 | K532 I533 S534 K539 R540 | K532-I536 VanDerWaalsContact O-CG1 3.31Å; K532-I536 WeakPolarHBondContact O-CG1 3.4Å; K532-I536 PolarHBondContact O-N 3.45Å; K532-I536 VanDerWaalsContact O-N 3.11Å; I533-I536 PolarHBondContact O-N 2.95Å; I533-I536 VanDerWaalsContact O-N 3.14Å; S534-I536 PolarHBondContact O-N 3.43Å; I536-K539 PolarHBondContact O-N 3.38Å; I536-R540 WeakPolarHBondContact O-CB 3.3Å; I536-R540 WeakPolarHBondContact O-CG 3.3Å; I536-R540 PolarHBondContact O-N 3.4Å |
| 537 | L | 86.3 | Confident | 82.1 | Confident | 109 Ų | 109 | 125.8 Ų | 125.8 | 57% | 0.571 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.2 | -44.3 | 176.3 | -73.4 | 168.6 | 0 | 0 | 0 | 111.7 | I533 S534 R540 K541 | I533-L537 HydrophobicContact CG2-CD1 3.99Å; I533-L537 HydrophobicContact CG2-CG 4.41Å; I533-L537 WeakPolarHBondContact O-CG 3.48Å; I533-L537 PolarHBondContact O-N 2.95Å; S534-L537 PolarHBondContact O-N 3.21Å; L537-R540 PolarHBondContact O-N 3.36Å; L537-K541 WeakPolarHBondContact O-CB 3.5Å; L537-K541 PolarHBondContact O-N 2.9Å |
| 538 | S | 87.3 | Confident | 81.5 | Confident | 60 Ų | 60 | 127.2 Ų | 127.2 | 42% | 0.42 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 175 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | S534 R540 K541 E542 | S534-S538 PolarHBondContact O-N 3.45Å; S534-S538 PolarHBondContact O-OG 3.06Å; S538-R540 PolarHBondContact O-N 3.38Å; S538-K541 PolarHBondContact O-N 3.43Å; S538-E542 WeakPolarHBondContact O-CG 3.44Å; S538-E542 PolarHBondContact O-N 3.32Å |
| 539 | K | 87 | Confident | 80.9 | Confident | 139 Ų | 139 | 123.9 Ų | 123.9 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.3 | -40.1 | 176.1 | -76.4 | 179.4 | 178.5 | -175.5 | 0 | 112.8 | Q535 I536 E542 S543 | Q535-K539 WeakPolarHBondContact O-CB 3.47Å; Q535-K539 VanDerWaalsContact O-CG 3.3Å; Q535-K539 WeakPolarHBondContact O-CG 3.34Å; Q535-K539 PolarHBondContact O-N 3.07Å; I536-K539 PolarHBondContact O-N 3.38Å; K539-E542 PolarHBondContact O-N 3.42Å; K539-S543 VanDerWaalsContact O-CB 3.3Å; K539-S543 WeakPolarHBondContact O-CB 3.42Å; K539-S543 PolarHBondContact O-N 2.92Å; K539-S543 PolarHBondContact O-OG 3.42Å |
| 540 | R | 83.6 | Confident | 80.1 | Confident | 177 Ų | 177 | 124.1 Ų | 124.1 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.8 | -34.3 | 175.6 | -77.4 | -173.9 | -172.9 | -173.2 | 1.9 | 112.6 | I536 L537 S538 S543 G544 | I536-R540 WeakPolarHBondContact O-CB 3.3Å; I536-R540 WeakPolarHBondContact O-CG 3.3Å; I536-R540 PolarHBondContact O-N 3.4Å; L537-R540 PolarHBondContact O-N 3.36Å; S538-R540 PolarHBondContact O-N 3.38Å; R540-S543 WeakPolarHBondContact CA-OG 3.42Å; R540-S543 PolarHBondContact O-N 3.04Å; R540-S543 PolarHBondContact O-OG 3.42Å; R540-G544 PolarHBondContact O-N 3.04Å |
| 541 | K | 80.8 | Confident | 79.3 | Confident | 187 Ų | 187 | 121.1 Ų | 121.1 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.7 | -34.5 | 176.2 | -165 | 175.3 | -179.1 | -178.8 | 0 | 111.8 | L537 S538 | L537-K541 WeakPolarHBondContact O-CB 3.5Å; L537-K541 PolarHBondContact O-N 2.9Å; S538-K541 PolarHBondContact O-N 3.43Å |
| 542 | E | 74.5 | Confident | 78.3 | Confident | 164 Ų | 164 | 121.7 Ų | 121.7 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.6 | -32.8 | 172 | -72.8 | 170.1 | -173.1 | 0 | 0 | 112.5 | S538 K539 G544 | S538-E542 WeakPolarHBondContact O-CG 3.44Å; S538-E542 PolarHBondContact O-N 3.32Å; K539-E542 PolarHBondContact O-N 3.42Å; E542-G544 VanDerWaalsContact C-N 3.3Å; E542-G544 PolarHBondContact O-N 3.08Å |
| 543 | S | 66.1 | Low | 77.2 | Confident | 73 Ų | 73 | 119.9 Ų | 119.9 | 51% | 0.51 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | 11.8 | -178.1 | 74.8 | 0 | 0 | 0 | 0 | 115.2 | K539 R540 F545 | K539-S543 VanDerWaalsContact O-CB 3.3Å; K539-S543 WeakPolarHBondContact O-CB 3.42Å; K539-S543 PolarHBondContact O-N 2.92Å; K539-S543 PolarHBondContact O-OG 3.42Å; R540-S543 WeakPolarHBondContact CA-OG 3.42Å; R540-S543 PolarHBondContact O-N 3.04Å; R540-S543 PolarHBondContact O-OG 3.42Å; S543-F545 VanDerWaalsContact C-N 3.31Å; S543-F545 PolarHBondContact O-N 3.09Å |
| 544 | G | 54.2 | Low | 76.2 | Confident | 66 Ų | 66 | 122.6 Ų | 122.6 | 68% | 0.68 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.8 | 32.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | R540 E542 | R540-G544 PolarHBondContact O-N 3.04Å; E542-G544 VanDerWaalsContact C-N 3.3Å; E542-G544 PolarHBondContact O-N 3.08Å |
| 545 | F | 52.4 | Low | 74.9 | Confident | 196 Ų | 196 | 128.1 Ų | 128.1 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | trans | -98.9 | 90.6 | 171 | -106.4 | -92.2 | 0 | 0 | 0 | 109.2 | S543 | S543-F545 VanDerWaalsContact C-N 3.31Å; S543-F545 PolarHBondContact O-N 3.09Å | ||
| 546 | A | 47.1 | Very low | 73.5 | Confident | 166 Ų | 166 | 128.8 Ų | 128.8 | 100% | 1.372 | 70% | 0.698 | S | S | * | * | trans | -84.7 | 0 | 156 | 0 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 546 of 546 residues in 314 ms
(Link to these results)