| 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 | 37.1 | Very low | 45.1 | Very low | 243 Ų | 243 | 158.4 Ų | 158.4 | 100% | 1.197 | 88% | 0.876 | S | S | * | * | 0 | 93.7 | 0 | -65.6 | -67.1 | 162.7 | 0 | 0 | 108.6 | |||||
| 2 | C | 41.3 | Very low | 45.4 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 93% | 0.926 | 87% | 0.867 | S | S | * | * | trans | -151.9 | 126.3 | 160.9 | -102.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | K | 40.9 | Very low | 45 | Very low | 211 Ų | 211 | 157.2 Ų | 157.2 | 92% | 0.917 | 87% | 0.868 | S | S | * | * | trans | -82.1 | 152.5 | -164.5 | -85.6 | -159 | 165.2 | -167.4 | 0 | 113.7 | ||||
| 4 | D | 35.7 | Very low | 45.2 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 85% | 0.849 | S | S | * | * | trans | -44.8 | 143.5 | 166.3 | -63.1 | -73.4 | 0 | 0 | 0 | 114.6 | ||||
| 5 | S | 61.3 | Low | 45.6 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -141.7 | 104.6 | 149.9 | -161.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | Q | 44.3 | Very low | 45.5 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 89% | 0.888 | 85% | 0.852 | S | S | * | * | trans | -65.7 | 137.7 | 172.2 | -77 | 175.4 | -27 | 0 | 0 | 110.3 | ||||
| 7 | K | 53.6 | Low | 45.7 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | trans | -134.8 | 129.8 | 159.9 | -159.5 | 166.8 | -173.8 | 175.7 | 0 | 108.9 | ||||
| 8 | P | 46.1 | Very low | 45.8 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | trans | -75.6 | 145.6 | -170.6 | 28.2 | -32.6 | 0 | 0 | 0 | 112.5 | ||||
| 9 | S | 45.3 | Very low | 45.7 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -70.2 | 132.5 | 174.9 | 43.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 10 | V | 46.1 | Very low | 45.4 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | trans | -119.9 | 121 | 165.4 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 11 | P | 44.3 | Very low | 45.3 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | trans | -90.4 | 116 | 169.7 | 32.6 | -24.2 | 0 | 0 | 0 | 108.3 | ||||
| 12 | S | 49 | Very low | 45.5 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -128.6 | 101.7 | 165.9 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | G14 | S12-G14 PolarHBondContact O-N 3.47Å; S12-G14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | H | 40.4 | Very low | 45.5 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 89% | 0.889 | 82% | 0.819 | S | S | * | * | trans | -66.3 | 97.7 | 168.7 | -81 | -81.6 | 0 | 0 | 0 | 109.5 | ||||
| 14 | G | 47.9 | Very low | 45.6 | Very low | 58 Ų | 58 | 140.7 Ų | 140.7 | 60% | 0.598 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 142.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S12 | S12-G14 PolarHBondContact O-N 3.47Å; S12-G14 VanDerWaalsContact O-N 3.12Å |
| 15 | P | 50.5 | Low | 46.3 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 135.4 | -175.4 | 27.3 | -32.2 | 0 | 0 | 0 | 111.9 | T17 | P15-T17 PolarHBondContact O-N 3.42Š|
| 16 | K | 43.3 | Very low | 45.7 | Very low | 211 Ų | 211 | 136.5 Ų | 136.5 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67 | 118.8 | 173.7 | -70.9 | 175.6 | 175.4 | 176.2 | 0 | 110.2 | ||
| 17 | T | 49.5 | Very low | 45.7 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 133.6 | 163.4 | 46.7 | 0 | 0 | 0 | 0 | 110.4 | P15 | P15-T17 PolarHBondContact O-N 3.42Š|
| 18 | P | 46.9 | Very low | 45.6 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 143 | -177.3 | 29.6 | -32.1 | 0 | 0 | 0 | 112.4 | C20 | P18-C20 PolarHBondContact O-N 3.3Š|
| 19 | S | 44.1 | Very low | 46.3 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59 | 116.1 | 173.7 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 20 | C | 40.2 | Very low | 46.8 | Very low | 126 Ų | 126 | 135 Ų | 135 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -87 | 110.2 | 167.3 | -74.5 | 0 | 0 | 0 | 0 | 109.7 | P18 | P18-C20 PolarHBondContact O-N 3.3Š| ||
| 21 | K | 43.8 | Very low | 47 | Very low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -66.5 | 153.3 | 166.6 | -68.8 | 177.6 | 177.4 | 178.6 | 0 | 109.9 | ||||
| 22 | G | 40.3 | Very low | 47.8 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -61 | 151.8 | -159.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 23 | V | 41.8 | Very low | 48.3 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -130.6 | 111.1 | 156.2 | -177.9 | 0 | 0 | 0 | 0 | 106.6 | A25 | V23-A25 PolarHBondContact O-N 2.9Š| ||
| 24 | K | 43.7 | Very low | 48.7 | Very low | 207 Ų | 207 | 132.4 Ų | 132.4 | 90% | 0.9 | 75% | 0.75 | S | S | * | * | trans | -62.7 | 115.4 | 167.6 | -83.2 | -174.6 | 172.3 | -174.7 | 0 | 107.4 | ||||
| 25 | A | 49.2 | Very low | 49.2 | Very low | 80 Ų | 80 | 136 Ų | 136 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | -63.2 | 127.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | V23 H27 | V23-A25 PolarHBondContact O-N 2.9Å; A25-H27 PolarHBondContact O-N 2.77Å | ||
| 26 | P | 49.4 | Very low | 49.7 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | trans | -63.4 | 130.3 | 173.5 | 25.3 | -30.6 | 0 | 0 | 0 | 108.1 | S28 | P26-S28 PolarHBondContact O-N 3.35Š| ||
| 27 | H | 44.3 | Very low | 50.4 | Low | 192 Ų | 192 | 131.6 Ų | 131.6 | 89% | 0.889 | 73% | 0.725 | S | S | * | * | trans | -60.3 | 90.3 | 170.1 | -70.4 | -86.7 | 0 | 0 | 0 | 108.4 | A25 S29 | A25-H27 PolarHBondContact O-N 2.77Å; H27-S29 PolarHBondContact O-N 2.84Å | ||
| 28 | S | 52.3 | Low | 50.7 | Low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | trans | -73.1 | 99.1 | 170.8 | 67.6 | 0 | 0 | 0 | 0 | 107.3 | P26 R30 | P26-S28 PolarHBondContact O-N 3.35Å; S28-R30 PolarHBondContact O-N 2.85Å | ||
| 29 | S | 59.1 | Low | 51.3 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -60.5 | 85.8 | 152.7 | 44.1 | 0 | 0 | 0 | 0 | 107 | H27 | H27-S29 PolarHBondContact O-N 2.84Š| ||
| 30 | R | 55.7 | Low | 52.1 | Low | 194 Ų | 194 | 129.9 Ų | 129.9 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | trans | -52.8 | 127.1 | 175.5 | -94.3 | -178.8 | 166.3 | -152.3 | -4.4 | 108.2 | S28 R32 | S28-R30 PolarHBondContact O-N 2.85Å; R30-R32 PolarHBondContact O-N 2.88Å | ||
| 31 | P | 51.3 | Low | 53.1 | Low | 87 Ų | 87 | 127.5 Ų | 127.5 | 57% | 0.565 | 67% | 0.673 | S | S | * | * | trans | -70.4 | 124.8 | -174.8 | 27.4 | -31.5 | 0 | 0 | 0 | 108.4 | A33 W34 | P31-A33 HydrophobicContact CB-CB 4.48Å; P31-A33 PolarHBondContact O-N 3.18Å; P31-W34 PolarHBondContact O-N 3.49Å | ||
| 32 | R | 60.1 | Low | 53.8 | Low | 221 Ų | 221 | 123.5 Ų | 123.5 | 83% | 0.834 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -13.3 | 176.3 | -158.4 | 177 | -69.4 | -115.2 | 1.7 | 112.7 | R30 | R30-R32 PolarHBondContact O-N 2.88Š|
| 33 | A | 60 | Low | 54.7 | Low | 57 Ų | 57 | 123.3 Ų | 123.3 | 47% | 0.471 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.9 | -36.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P31 K35 Q36 D37 | P31-A33 HydrophobicContact CB-CB 4.48Å; P31-A33 PolarHBondContact O-N 3.18Å; A33-K35 PolarHBondContact O-N 3.05Å; A33-Q36 PolarHBondContact O-N 3.38Å; A33-D37 PolarHBondContact O-N 2.94Å; A33-D37 VanDerWaalsContact O-N 3.08Å |
| 34 | W | 48.7 | Very low | 55.8 | Low | 126 Ų | 126 | 120 Ų | 120 | 48% | 0.477 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.6 | -29.7 | -175.4 | 76.9 | -96 | 0 | 0 | 0 | 112.9 | P31 L38 | P31-W34 PolarHBondContact O-N 3.49Å; W34-L38 WeakPolarHBondContact O-CB 3.08Å; W34-L38 PolarHBondContact O-N 2.87Å; W34-L38 VanDerWaalsContact O-N 3.15Å |
| 35 | K | 59.9 | Low | 56.6 | Low | 134 Ų | 134 | 113.8 Ų | 113.8 | 58% | 0.583 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.4 | -36.6 | 174.9 | -82.8 | -155.3 | 172.7 | -137.8 | 0 | 112.2 | A33 E39 | A33-K35 PolarHBondContact O-N 3.05Å; K35-E39 WeakPolarHBondContact O-CG 3.3Å; K35-E39 PolarHBondContact O-N 2.94Å |
| 36 | Q | 60.4 | Low | 57.3 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 62% | 0.621 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72 | -39.9 | 179.9 | -68.3 | 176.1 | -31.7 | 0 | 0 | 111.1 | A33 E39 Q40 | A33-Q36 PolarHBondContact O-N 3.38Å; Q36-E39 PolarHBondContact O-N 3.21Å; Q36-Q40 PolarHBondContact O-N 3.5Å |
| 37 | D | 58 | Low | 58.1 | Low | 113 Ų | 113 | 119.2 Ų | 119.2 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.8 | -42.3 | 178.8 | -163.7 | 47.4 | 0 | 0 | 0 | 112 | A33 E39 Q40 S41 | A33-D37 PolarHBondContact O-N 2.94Å; A33-D37 VanDerWaalsContact O-N 3.08Å; D37-E39 PolarHBondContact O-N 3.49Å; D37-Q40 PolarHBondContact O-N 2.86Å; D37-S41 VanDerWaalsContact O-CB 3.29Å; D37-S41 WeakPolarHBondContact O-CB 2.96Å; D37-S41 PolarHBondContact O-N 2.89Å |
| 38 | L | 56.1 | Low | 59 | Low | 91 Ų | 91 | 113.2 Ų | 113.2 | 48% | 0.476 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.6 | -40.7 | 175.6 | -163.9 | 93.5 | 0 | 0 | 0 | 112.4 | W34 S41 L42 | W34-L38 WeakPolarHBondContact O-CB 3.08Å; W34-L38 PolarHBondContact O-N 2.87Å; W34-L38 VanDerWaalsContact O-N 3.15Å; L38-S41 PolarHBondContact O-N 2.98Å; L38-L42 HydrophobicContact CD2-CD1 4.39Å; L38-L42 HydrophobicContact CG-CD1 4.41Å; L38-L42 PolarHBondContact O-N 3.37Å |
| 39 | E | 59.8 | Low | 59.7 | Low | 92 Ų | 92 | 114.3 Ų | 114.3 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.7 | -38.5 | 179.5 | -68.4 | -83.9 | 124.7 | 0 | 0 | 111.8 | K35 Q36 D37 A43 R91 | K35-E39 WeakPolarHBondContact O-CG 3.3Å; K35-E39 PolarHBondContact O-N 2.94Å; Q36-E39 PolarHBondContact O-N 3.21Å; D37-E39 PolarHBondContact O-N 3.49Å; E39-A43 WeakPolarHBondContact O-CB 3.47Å; E39-A43 PolarHBondContact O-N 3.44Å; E39-R91 IonicContact OE2-CZ 3.65Å; E39-R91 IonicContact OE2-NE 3.9Å; E39-R91 IonicContact OE2-NH2 2.62Å; E39-R91 PolarHBondContact OE2-NH2 3.24Å |
| 40 | Q | 59.6 | Low | 60 | Low | 143 Ų | 143 | 112 Ų | 112 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.2 | -42.7 | 171 | -88 | 177.6 | 13.9 | 0 | 0 | 111.6 | Q36 D37 A43 A44 | Q36-Q40 PolarHBondContact O-N 3.5Å; D37-Q40 PolarHBondContact O-N 2.86Å; Q40-A43 PolarHBondContact O-N 3.29Å; Q40-A44 WeakPolarHBondContact O-CB 3.46Å; Q40-A44 PolarHBondContact O-N 3.39Å |
| 41 | S | 62.4 | Low | 60.5 | Low | 77 Ų | 77 | 108.7 Ų | 108.7 | 54% | 0.538 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.5 | -43.2 | -179.3 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | D37 L38 A44 A45 | D37-S41 VanDerWaalsContact O-CB 3.29Å; D37-S41 WeakPolarHBondContact O-CB 2.96Å; D37-S41 PolarHBondContact O-N 2.89Å; L38-S41 PolarHBondContact O-N 2.98Å; S41-A44 PolarHBondContact O-N 3.38Å; S41-A45 WeakPolarHBondContact O-CB 3.18Å; S41-A45 PolarHBondContact O-N 2.99Å |
| 42 | L | 57.7 | Low | 61.1 | Low | 109 Ų | 109 | 107.6 Ų | 107.6 | 57% | 0.571 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.6 | -39.3 | 178 | -76.4 | 169.4 | 0 | 0 | 0 | 113.1 | L38 A44 A45 Y46 | L38-L42 HydrophobicContact CD2-CD1 4.39Å; L38-L42 HydrophobicContact CG-CD1 4.41Å; L38-L42 PolarHBondContact O-N 3.37Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 2.89Å; L42-A45 PolarHBondContact O-N 3.44Å; L42-Y46 PolarHBondContact O-N 3.18Å |
| 43 | A | 60.2 | Low | 61.6 | Low | 74 Ų | 74 | 102.9 Ų | 102.9 | 61% | 0.612 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66 | -34.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E39 Q40 | E39-A43 WeakPolarHBondContact O-CB 3.47Å; E39-A43 PolarHBondContact O-N 3.44Å; Q40-A43 PolarHBondContact O-N 3.29Å |
| 44 | A | 63.8 | Low | 62.1 | Low | 69 Ų | 69 | 109.2 Ų | 109.2 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -77.9 | -27.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q40 S41 L42 Y46 V47 | Q40-A44 WeakPolarHBondContact O-CB 3.46Å; Q40-A44 PolarHBondContact O-N 3.39Å; S41-A44 PolarHBondContact O-N 3.38Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 2.89Å; A44-Y46 VanDerWaalsContact C-N 3.32Å; A44-Y46 PolarHBondContact O-N 3.42Å; A44-V47 WeakPolarHBondContact O-CG2 3.33Å |
| 45 | A | 61.1 | Low | 62.9 | Low | 75 Ų | 75 | 106.6 Ų | 106.6 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.8 | -26.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S41 L42 | S41-A45 WeakPolarHBondContact O-CB 3.18Å; S41-A45 PolarHBondContact O-N 2.99Å; L42-A45 PolarHBondContact O-N 3.44Å |
| 46 | Y | 63 | Low | 63 | Low | 206 Ų | 206 | 107.7 Ų | 107.7 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | trans | -112.8 | 75.9 | 177.6 | -115.8 | -94.5 | 0 | 0 | 0 | 109.6 | L42 A44 P48 | L42-Y46 PolarHBondContact O-N 3.18Å; A44-Y46 VanDerWaalsContact C-N 3.32Å; A44-Y46 PolarHBondContact O-N 3.42Å; Y46-P48 WeakPolarHBondContact O-CD 3.34Å | ||
| 47 | V | 66.4 | Low | 63.1 | Low | 104 Ų | 104 | 106 Ų | 106 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | trans | -89.1 | 100.3 | 166.1 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | A44 V49 | A44-V47 WeakPolarHBondContact O-CG2 3.33Å; V47-V49 PolarHBondContact O-N 3.02Å | ||
| 48 | P | 63.7 | Low | 63.2 | Low | 65 Ų | 65 | 103.3 Ų | 103.3 | 42% | 0.422 | 60% | 0.599 | S | S | . | * | trans | -64.3 | 111.8 | 174.1 | 23.8 | -32.5 | 0 | 0 | 0 | 109.5 | Y46 F65 | Y46-P48 WeakPolarHBondContact O-CD 3.34Å; P48-F65 HydrophobicContact CB-CE1 4.06Å; P48-F65 HydrophobicContact CG-CD1 3.85Å; P48-F65 HydrophobicContact CG-CE1 3.02Å; P48-F65 HydrophobicContact CG-CZ 3.42Å; P48-F65 VanDerWaalsContact CG-CZ 3.42Å | ||
| 49 | V | 66.4 | Low | 63.5 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 70% | 0.703 | 61% | 0.61 | S | S | * | * | trans | -87.3 | 121.6 | 171.8 | 173.5 | 0 | 0 | 0 | 0 | 107.8 | V47 V51 | V47-V49 PolarHBondContact O-N 3.02Å; V49-V51 HydrophobicContact CG1-CG2 4.04Å | ||
| 50 | V | 66 | Low | 63.6 | Low | 66 Ų | 66 | 110.4 Ų | 110.4 | 40% | 0.4 | 63% | 0.631 | S | S | . | * | trans | -97.2 | 118.2 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | F63 | V50-F63 HydrophobicContact CB-CE1 3.84Å; V50-F63 HydrophobicContact CB-CE2 4.4Å; V50-F63 HydrophobicContact CB-CZ 3.48Å; V50-F63 VanDerWaalsContact CB-CZ 3.48Å; V50-F63 HydrophobicContact CG1-CE1 4.08Å; V50-F63 HydrophobicContact CG1-CZ 3.79Å; V50-F63 HydrophobicContact CG2-CD1 4.01Å; V50-F63 HydrophobicContact CG2-CE1 3.18Å; V50-F63 HydrophobicContact CG2-CE2 4.31Å; V50-F63 HydrophobicContact CG2-CZ 3.36Å | ||
| 51 | V | 66.1 | Low | 63.6 | Low | 124 Ų | 124 | 108.7 Ų | 108.7 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | trans | -103.6 | 111.2 | 174.8 | -170.2 | 0 | 0 | 0 | 0 | 106.9 | V49 | V49-V51 HydrophobicContact CG1-CG2 4.04Š| ||
| 52 | D | 64.9 | Low | 63.5 | Low | 65 Ų | 65 | 114.3 Ų | 114.3 | 35% | 0.348 | 64% | 0.635 | S | S | . | * | trans | -75 | 126.4 | 168.5 | -179.7 | 11.4 | 0 | 0 | 0 | 109 | K54 G55 Q56 | D52-K54 PolarHBondContact O-N 3.01Å; D52-K54 PolarHBondContact OD1-N 3.49Å; D52-G55 PolarHBondContact O-N 3.01Å; D52-G55 PolarHBondContact OD2-N 3.08Å; D52-Q56 VanDerWaalsContact OD2-CA 3.3Å; D52-Q56 WeakPolarHBondContact OD2-CA 3.32Å; D52-Q56 WeakPolarHBondContact OD2-CB 3Å; D52-Q56 PolarHBondContact OD2-N 2.98Å | ||
| 53 | S | 69 | Low | 63.5 | Low | 122 Ų | 122 | 113.2 Ų | 113.2 | 85% | 0.853 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -15.4 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 54 | K | 72 | Confident | 63.3 | Low | 190 Ų | 190 | 113.8 Ų | 113.8 | 83% | 0.826 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 1.6 | 178.2 | -68.8 | -164.2 | 177.2 | -168.6 | 0 | 115 | D52 Q56 | D52-K54 PolarHBondContact O-N 3.01Å; D52-K54 PolarHBondContact OD1-N 3.49Å; K54-Q56 VanDerWaalsContact C-N 3.26Å; K54-Q56 PolarHBondContact O-N 3.18Å |
| 55 | G | 63.6 | Low | 63 | Low | 71 Ų | 71 | 115.6 Ų | 115.6 | 73% | 0.732 | 61% | 0.614 | S | S | * | * | trans | 68.9 | 18.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | D52 | D52-G55 PolarHBondContact O-N 3.01Å; D52-G55 PolarHBondContact OD2-N 3.08Å | ||
| 56 | Q | 62.1 | Low | 62.7 | Low | 157 Ų | 157 | 120.4 Ų | 120.4 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | trans | -76.3 | 133 | 170.6 | -129 | 179.1 | 45.2 | 0 | 0 | 109.3 | D52 K54 | D52-Q56 VanDerWaalsContact OD2-CA 3.3Å; D52-Q56 WeakPolarHBondContact OD2-CA 3.32Å; D52-Q56 WeakPolarHBondContact OD2-CB 3Å; D52-Q56 PolarHBondContact OD2-N 2.98Å; K54-Q56 VanDerWaalsContact C-N 3.26Å; K54-Q56 PolarHBondContact O-N 3.18Å | ||
| 57 | N | 63.6 | Low | 62.6 | Low | 98 Ų | 98 | 113.7 Ų | 113.7 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | trans | -60 | 127.8 | -177.1 | 165.9 | -68.3 | 0 | 0 | 0 | 110.4 | D59 | N57-D59 VanDerWaalsContact CG-OD2 3.23Å; N57-D59 PolarHBondContact ND2-OD2 2.66Å; N57-D59 PolarHBondContact O-N 3.15Å; N57-D59 WeakPolarHBondContact OD1-CA 3.29Å; N57-D59 WeakPolarHBondContact OD1-CB 3.43Å; N57-D59 PolarHBondContact OD1-N 2.62Å; N57-D59 PolarHBondContact OD1-OD2 2.84Å | ||
| 58 | P | 60.5 | Low | 62.4 | Low | 55 Ų | 55 | 113.8 Ų | 113.8 | 36% | 0.357 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -76.1 | 3.1 | -173.4 | 31.5 | -35.7 | 0 | 0 | 0 | 113.8 | K60 L61 F63 | P58-K60 PolarHBondContact O-N 3.27Å; P58-L61 PolarHBondContact O-N 2.98Å; P58-F63 HydrophobicContact CB-CE2 4.41Å |
| 59 | D | 61.8 | Low | 62.6 | Low | 135 Ų | 135 | 119.2 Ų | 119.2 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -62.1 | -13.3 | -176.2 | -59.8 | -24.2 | 0 | 0 | 0 | 112.7 | N57 | N57-D59 VanDerWaalsContact CG-OD2 3.23Å; N57-D59 PolarHBondContact ND2-OD2 2.66Å; N57-D59 PolarHBondContact O-N 3.15Å; N57-D59 WeakPolarHBondContact OD1-CA 3.29Å; N57-D59 WeakPolarHBondContact OD1-CB 3.43Å; N57-D59 PolarHBondContact OD1-N 2.62Å; N57-D59 PolarHBondContact OD1-OD2 2.84Å |
| 60 | K | 61.1 | Low | 62.5 | Low | 197 Ų | 197 | 118 Ų | 118 | 86% | 0.857 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -92.7 | -15.6 | 173.9 | -67.1 | -178.1 | -178.1 | 177.5 | 0 | 114.4 | P58 R62 | P58-K60 PolarHBondContact O-N 3.27Å; K60-R62 PolarHBondContact O-N 2.83Å |
| 61 | L | 60.1 | Low | 62.5 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 56% | 0.56 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -86 | 93.5 | 175.5 | -79.6 | 162 | 0 | 0 | 0 | 108.3 | P58 F63 | P58-L61 PolarHBondContact O-N 2.98Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F63 HydrophobicContact CB-CE1 4.06Å; L61-F63 HydrophobicContact CB-CE2 4.1Å; L61-F63 HydrophobicContact CB-CZ 3.69Å; L61-F63 HydrophobicContact CD1-CZ 4.42Å; L61-F63 WeakPolarHBondContact O-CD2 3.42Å; L61-F63 WeakPolarHBondContact O-CE2 3.46Å; L61-F63 PolarHBondContact O-N 3.04Å |
| 62 | R | 60.1 | Low | 62.6 | Low | 196 Ų | 196 | 114 Ų | 114 | 74% | 0.74 | 59% | 0.585 | S | S | * | * | trans | -66.8 | 94 | 172.3 | -171 | 178.7 | 150.6 | 164.5 | -0.5 | 108.7 | K60 N64 | K60-R62 PolarHBondContact O-N 2.83Å; R62-N64 VanDerWaalsContact C-N 3.33Å; R62-N64 PolarHBondContact NE-OD1 3.22Å; R62-N64 PolarHBondContact O-N 2.94Å | ||
| 63 | F | 57.3 | Low | 62.8 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 38% | 0.377 | 59% | 0.591 | S | S | . | * | trans | -67.2 | 92.7 | 174.8 | -61.1 | -68.6 | 0 | 0 | 0 | 109.3 | V50 P58 L61 F65 | V50-F63 HydrophobicContact CB-CE1 3.84Å; V50-F63 HydrophobicContact CB-CE2 4.4Å; V50-F63 HydrophobicContact CB-CZ 3.48Å; V50-F63 VanDerWaalsContact CB-CZ 3.48Å; V50-F63 HydrophobicContact CG1-CE1 4.08Å; V50-F63 HydrophobicContact CG1-CZ 3.79Å; V50-F63 HydrophobicContact CG2-CD1 4.01Å; V50-F63 HydrophobicContact CG2-CE1 3.18Å; V50-F63 HydrophobicContact CG2-CE2 4.31Å; V50-F63 HydrophobicContact CG2-CZ 3.36Å; P58-F63 HydrophobicContact CB-CE2 4.41Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F63 HydrophobicContact CB-CE1 4.06Å; L61-F63 HydrophobicContact CB-CE2 4.1Å; L61-F63 HydrophobicContact CB-CZ 3.69Å; L61-F63 HydrophobicContact CD1-CZ 4.42Å; L61-F63 WeakPolarHBondContact O-CD2 3.42Å; L61-F63 WeakPolarHBondContact O-CE2 3.46Å; L61-F63 PolarHBondContact O-N 3.04Å; F63-F65 HydrophobicContact CB-CD2 4.18Å; F63-F65 HydrophobicContact CB-CE1 3.97Å; F63-F65 HydrophobicContact CB-CE2 3.55Å; F63-F65 HydrophobicContact CB-CZ 3.43Å; F63-F65 VanDerWaalsContact CB-CZ 3.43Å; F63-F65 HydrophobicContact CG-CE2 4.45Å; F63-F65 AromaticContact CG-CZ 3.97Å; F63-F65 HydrophobicContact CG-CZ 3.97Å; F63-F65 PolarHBondContact O-N 3.45Å | ||
| 64 | N | 56.5 | Low | 62.7 | Low | 85 Ų | 85 | 115.9 Ų | 115.9 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | trans | -79.6 | 79.6 | 169.8 | -60.1 | -43.8 | 0 | 0 | 0 | 107.1 | R62 Y70 | R62-N64 VanDerWaalsContact C-N 3.33Å; R62-N64 PolarHBondContact NE-OD1 3.22Å; R62-N64 PolarHBondContact O-N 2.94Å; N64-Y70 HydrophobicContact CB-CE1 4.1Å; N64-Y70 HydrophobicContact CB-CE2 3.99Å; N64-Y70 PolarHBondContact OD1-OH 3.08Å | ||
| 65 | F | 58 | Low | 62.4 | Low | 107 Ų | 107 | 108.5 Ų | 108.5 | 47% | 0.469 | 56% | 0.559 | S | S | . | * | trans | -56.4 | 159.2 | 166 | -60.5 | -59.5 | 0 | 0 | 0 | 109.5 | P48 F63 T67 | P48-F65 HydrophobicContact CB-CE1 4.06Å; P48-F65 HydrophobicContact CG-CD1 3.85Å; P48-F65 HydrophobicContact CG-CE1 3.02Å; P48-F65 HydrophobicContact CG-CZ 3.42Å; P48-F65 VanDerWaalsContact CG-CZ 3.42Å; F63-F65 HydrophobicContact CB-CD2 4.18Å; F63-F65 HydrophobicContact CB-CE1 3.97Å; F63-F65 HydrophobicContact CB-CE2 3.55Å; F63-F65 HydrophobicContact CB-CZ 3.43Å; F63-F65 VanDerWaalsContact CB-CZ 3.43Å; F63-F65 HydrophobicContact CG-CE2 4.45Å; F63-F65 AromaticContact CG-CZ 3.97Å; F63-F65 HydrophobicContact CG-CZ 3.97Å; F63-F65 PolarHBondContact O-N 3.45Å; F65-T67 WeakPolarHBondContact O-CG2 3.15Å; F65-T67 PolarHBondContact O-N 3.04Å | ||
| 66 | Y | 55.1 | Low | 62.4 | Low | 177 Ų | 177 | 109.8 Ų | 109.8 | 69% | 0.694 | 56% | 0.555 | S | S | * | * | trans | -62.9 | 78.4 | 175.1 | -65.1 | -79.3 | 0 | 0 | 0 | 110.6 | N75 | Y66-N75 WeakPolarHBondContact CE1-OD1 3.45Å; Y66-N75 PolarHBondContact OH-OD1 3.1Å | ||
| 67 | T | 60.3 | Low | 62.5 | Low | 65 Ų | 65 | 109.5 Ų | 109.5 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | trans | -76.9 | 151 | 167.2 | 82.4 | 0 | 0 | 0 | 0 | 107.6 | F65 Q69 Y70 | F65-T67 WeakPolarHBondContact O-CG2 3.15Å; F65-T67 PolarHBondContact O-N 3.04Å; T67-Q69 PolarHBondContact O-N 3.2Å; T67-Y70 HydrophobicContact CG2-CD2 4.24Å; T67-Y70 HydrophobicContact CG2-CE2 4.23Å; T67-Y70 PolarHBondContact O-N 2.76Å; T67-Y70 WeakPolarHBondContact OG1-CD2 3.1Å | ||
| 68 | S | 63.1 | Low | 62.8 | Low | 106 Ų | 106 | 110.5 Ų | 110.5 | 74% | 0.741 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -8.9 | -180 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 69 | Q | 67.4 | Low | 63.2 | Low | 179 Ų | 179 | 110.8 Ų | 110.8 | 84% | 0.836 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -13.1 | 178.4 | -61.7 | -176.5 | -14.8 | 0 | 0 | 112.9 | T67 | T67-Q69 PolarHBondContact O-N 3.2Š|
| 70 | Y | 63.2 | Low | 63.6 | Low | 89 Ų | 89 | 112.1 Ų | 112.1 | 35% | 0.349 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -80.2 | 134.8 | 177.6 | -81.9 | -80.5 | 0 | 0 | 0 | 111.7 | N64 T67 N72 | N64-Y70 HydrophobicContact CB-CE1 4.1Å; N64-Y70 HydrophobicContact CB-CE2 3.99Å; N64-Y70 PolarHBondContact OD1-OH 3.08Å; T67-Y70 HydrophobicContact CG2-CD2 4.24Å; T67-Y70 HydrophobicContact CG2-CE2 4.23Å; T67-Y70 PolarHBondContact O-N 2.76Å; T67-Y70 WeakPolarHBondContact OG1-CD2 3.1Å; Y70-N72 PolarHBondContact O-N 3.32Å |
| 71 | S | 66.3 | Low | 64 | Low | 80 Ų | 80 | 108.8 Ų | 108.8 | 56% | 0.559 | 54% | 0.543 | S | S | * | . | trans | -64.1 | 129.2 | 171.6 | 175.7 | 0 | 0 | 0 | 0 | 110 | S73 | S71-S73 PolarHBondContact O-N 3.13Å; S71-S73 VanDerWaalsContact O-N 3.17Å; S71-S73 WeakPolarHBondContact OG-CB 3.23Å; S71-S73 PolarHBondContact OG-N 3.18Å; S71-S73 PolarHBondContact OG-OG 3.45Å; S71-S73 VanDerWaalsContact OG-OG 3.1Å | ||
| 72 | N | 68 | Low | 64.4 | Low | 27 Ų | 27 | 109.2 Ų | 109.2 | 14% | 0.144 | 54% | 0.54 | C | S | . | . | G | 310 helix | trans | -78.1 | 11.3 | 177.5 | -71 | -47.9 | 0 | 0 | 0 | 113.2 | Y70 L74 N75 G86 Y87 Y89 | Y70-N72 PolarHBondContact O-N 3.32Å; N72-L74 PolarHBondContact O-N 3.18Å; N72-N75 WeakPolarHBondContact O-CB 3.18Å; N72-N75 PolarHBondContact O-N 3.02Å; N72-N75 PolarHBondContact OD1-ND2 3.16Å; N72-G86 WeakPolarHBondContact CB-O 2.88Å; N72-Y87 WeakPolarHBondContact CB-O 3.33Å; N72-Y87 VanDerWaalsContact O-CA 3.27Å; N72-Y87 WeakPolarHBondContact O-CA 3.45Å; N72-Y89 PolarHBondContact ND2-O 3.27Å |
| 73 | S | 69 | Low | 64.8 | Low | 68 Ų | 68 | 102.4 Ų | 102.4 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -59.8 | -19.5 | -173 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | S71 Y87 | S71-S73 PolarHBondContact O-N 3.13Å; S71-S73 VanDerWaalsContact O-N 3.17Å; S71-S73 WeakPolarHBondContact OG-CB 3.23Å; S71-S73 PolarHBondContact OG-N 3.18Å; S71-S73 PolarHBondContact OG-OG 3.45Å; S71-S73 VanDerWaalsContact OG-OG 3.1Å; S73-Y87 VanDerWaalsContact CB-CE2 3.48Å; S73-Y87 VanDerWaalsContact N-CD2 3.25Å |
| 74 | L | 67.2 | Low | 65.4 | Low | 159 Ų | 159 | 100.1 Ų | 100.1 | 83% | 0.832 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -95.2 | -1.6 | 177.1 | -57.3 | 179.4 | 0 | 0 | 0 | 113.4 | N72 | N72-L74 PolarHBondContact O-N 3.18Š|
| 75 | N | 66.8 | Low | 66.1 | Low | 35 Ų | 35 | 98.5 Ų | 98.5 | 19% | 0.187 | 51% | 0.51 | C | S | . | . | trans | -83.2 | 120.3 | 179.7 | -74.6 | -39.9 | 0 | 0 | 0 | 110.6 | Y66 N72 F77 | Y66-N75 WeakPolarHBondContact CE1-OD1 3.45Å; Y66-N75 PolarHBondContact OH-OD1 3.1Å; N72-N75 WeakPolarHBondContact O-CB 3.18Å; N72-N75 PolarHBondContact O-N 3.02Å; N72-N75 PolarHBondContact OD1-ND2 3.16Å; N75-F77 VanDerWaalsContact C-N 3.31Å; N75-F77 PolarHBondContact O-N 3.22Å | ||
| 76 | P | 63 | Low | 66.9 | Low | 98 Ų | 98 | 93.9 Ų | 93.9 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | trans | -76.8 | -10.9 | -163.2 | 28.4 | -35.2 | 0 | 0 | 0 | 114.8 | Y78 | P76-Y78 PolarHBondContact O-N 3.08Š| ||
| 77 | F | 63.9 | Low | 67.8 | Low | 151 Ų | 151 | 91.8 Ų | 91.8 | 66% | 0.662 | 48% | 0.484 | S | S | * | . | trans | -102.5 | 66.6 | -166.5 | -55.7 | -66.1 | 0 | 0 | 0 | 113.9 | N75 C85 G86 | N75-F77 VanDerWaalsContact C-N 3.31Å; N75-F77 PolarHBondContact O-N 3.22Å; F77-C85 CarbonylContact O-C 3.01Å; F77-C85 VanDerWaalsContact O-CB 3.3Å; F77-C85 WeakPolarHBondContact O-CB 3.4Å; F77-G86 VanDerWaalsContact O-CA 3.23Å; F77-G86 WeakPolarHBondContact O-CA 3.49Å; F77-G86 PolarHBondContact O-N 3.3Å | ||
| 78 | Y | 70.7 | Confident | 68.4 | Low | 118 Ų | 118 | 92.7 Ų | 92.7 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | trans | -98.9 | 121.6 | 161 | 173.8 | -103.5 | 0 | 0 | 0 | 108.9 | P76 P83 L88 | P76-Y78 PolarHBondContact O-N 3.08Å; Y78-P83 HydrophobicContact CE2-CB 4.06Å; Y78-L88 HydrophobicContact CD2-CB 4.49Å; Y78-L88 HydrophobicContact CD2-CD1 3.95Å; Y78-L88 HydrophobicContact CD2-CG 4.14Å; Y78-L88 HydrophobicContact CE2-CD1 3.45Å; Y78-L88 VanDerWaalsContact CE2-CD1 3.45Å; Y78-L88 HydrophobicContact CE2-CG 4.16Å | ||
| 79 | T | 67.7 | Low | 68.9 | Low | 62 Ų | 62 | 92.2 Ų | 92.2 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | trans | -132.8 | 150.9 | 175.1 | 60.6 | 0 | 0 | 0 | 0 | 109 | Q81 K82 | T79-Q81 PolarHBondContact O-N 2.87Å; T79-Q81 VanDerWaalsContact O-N 3.16Å; T79-K82 CarbonylContact O-C 2.98Å; T79-K82 PolarHBondContact O-N 3.01Å; T79-K82 PolarHBondContact OG1-N 2.91Å | ||
| 80 | L | 71.5 | Confident | 69.3 | Low | 162 Ų | 162 | 91.5 Ų | 91.5 | 85% | 0.848 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -56 | -32.1 | 174.8 | -74.9 | 171.6 | 0 | 0 | 0 | 112.2 | ||
| 81 | Q | 67.8 | Low | 69.7 | Low | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -66.5 | -56.5 | 173.7 | -65.1 | 178.8 | -21.9 | 0 | 0 | 109.4 | T79 P83 F100 | T79-Q81 PolarHBondContact O-N 2.87Å; T79-Q81 VanDerWaalsContact O-N 3.16Å; Q81-P83 WeakPolarHBondContact O-CD 3.27Å; Q81-F100 HydrophobicContact CB-CD1 3.9Å; Q81-F100 HydrophobicContact CB-CE1 3.55Å; Q81-F100 WeakPolarHBondContact O-CE1 3.22Å; Q81-F100 WeakPolarHBondContact O-CE2 3.31Å; Q81-F100 WeakPolarHBondContact O-CZ 3.39Å |
| 82 | K | 68.5 | Low | 70.1 | Confident | 116 Ų | 116 | 97.5 Ų | 97.5 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | trans | -103.7 | 76.4 | 179.2 | -65.6 | 171.6 | 179.6 | -173.8 | 0 | 112.4 | T79 T84 C85 F100 | T79-K82 CarbonylContact O-C 2.98Å; T79-K82 PolarHBondContact O-N 3.01Å; T79-K82 PolarHBondContact OG1-N 2.91Å; K82-T84 PolarHBondContact O-N 3.1Å; K82-T84 VanDerWaalsContact O-N 3.17Å; K82-C85 HydrophobicContact CB-CB 4.11Å; K82-C85 PolarHBondContact O-N 3.25Å; K82-F100 HydrophobicContact CB-CE1 4.45Å; K82-F100 HydrophobicContact CB-CZ 4.01Å; K82-F100 HydrophobicContact CG-CE1 3.59Å; K82-F100 HydrophobicContact CG-CZ 3.35Å | ||
| 83 | P | 68.6 | Low | 70.2 | Confident | 54 Ų | 54 | 98.2 Ų | 98.2 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -11.9 | -178.3 | 30.4 | -37.3 | 0 | 0 | 0 | 113.2 | Y78 Q81 L88 | Y78-P83 HydrophobicContact CE2-CB 4.06Å; Q81-P83 WeakPolarHBondContact O-CD 3.27Å; P83-L88 WeakPolarHBondContact O-CB 3.23Å |
| 84 | T | 71.7 | Confident | 70.3 | Confident | 38 Ų | 38 | 100.3 Ų | 100.3 | 23% | 0.233 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 4.1 | 179.8 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | K82 Y89 T93 H95 | K82-T84 PolarHBondContact O-N 3.1Å; K82-T84 VanDerWaalsContact O-N 3.17Å; T84-Y89 WeakPolarHBondContact O-CA 2.97Å; T84-Y89 WeakPolarHBondContact O-CD2 2.65Å; T84-T93 HydrophobicContact CG2-CG2 3.53Å; T84-H95 WeakPolarHBondContact CB-ND1 3.44Å; T84-H95 PolarHBondContact O-CE1 3.34Å; T84-H95 PolarHBondContact OG1-ND1 3.17Å; T84-H95 VanDerWaalsContact OG1-ND1 3.13Å |
| 85 | C | 69.8 | Low | 70.3 | Confident | 51 Ų | 51 | 96.6 Ų | 96.6 | 35% | 0.345 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -102.1 | 165.8 | 170.4 | -88.9 | 0 | 0 | 0 | 0 | 111.4 | F77 K82 | F77-C85 CarbonylContact O-C 3.01Å; F77-C85 VanDerWaalsContact O-CB 3.3Å; F77-C85 WeakPolarHBondContact O-CB 3.4Å; K82-C85 HydrophobicContact CB-CB 4.11Å; K82-C85 PolarHBondContact O-N 3.25Å |
| 86 | G | 76.3 | Confident | 70 | Confident | 9 Ų | 9 | 99.8 Ų | 99.8 | 9% | 0.093 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | 74.4 | -137.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N72 F77 L88 Y89 | N72-G86 WeakPolarHBondContact CB-O 2.88Å; F77-G86 VanDerWaalsContact O-CA 3.23Å; F77-G86 WeakPolarHBondContact O-CA 3.49Å; F77-G86 PolarHBondContact O-N 3.3Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 2.92Å; G86-Y89 WeakPolarHBondContact O-CB 3.3Å; G86-Y89 PolarHBondContact O-N 3.35Å; G86-Y89 VanDerWaalsContact O-N 3.08Å |
| 87 | Y | 72.7 | Confident | 69.7 | Low | 134 Ų | 134 | 102.3 Ų | 102.3 | 53% | 0.525 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -58.5 | -36.7 | -177 | 174.5 | -132.3 | 0 | 0 | 0 | 114.7 | N72 S73 Y89 | N72-Y87 WeakPolarHBondContact CB-O 3.33Å; N72-Y87 VanDerWaalsContact O-CA 3.27Å; N72-Y87 WeakPolarHBondContact O-CA 3.45Å; S73-Y87 VanDerWaalsContact CB-CE2 3.48Å; S73-Y87 VanDerWaalsContact N-CD2 3.25Å; Y87-Y89 PolarHBondContact O-N 2.99Å |
| 88 | L | 72.8 | Confident | 69.4 | Low | 84 Ų | 84 | 104.6 Ų | 104.6 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -84.3 | 3.5 | -179.6 | -60.8 | -173.6 | 0 | 0 | 0 | 113.4 | Y78 P83 G86 R90 | Y78-L88 HydrophobicContact CD2-CB 4.49Å; Y78-L88 HydrophobicContact CD2-CD1 3.95Å; Y78-L88 HydrophobicContact CD2-CG 4.14Å; Y78-L88 HydrophobicContact CE2-CD1 3.45Å; Y78-L88 VanDerWaalsContact CE2-CD1 3.45Å; Y78-L88 HydrophobicContact CE2-CG 4.16Å; P83-L88 WeakPolarHBondContact O-CB 3.23Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 2.92Å; L88-R90 PolarHBondContact O-N 3.28Å |
| 89 | Y | 74.8 | Confident | 68.7 | Low | 95 Ų | 95 | 109.6 Ų | 109.6 | 37% | 0.373 | 51% | 0.513 | S | S | . | . | trans | -58.4 | 128.7 | 175.6 | 177.5 | -103.5 | 0 | 0 | 0 | 110.1 | N72 T84 G86 Y87 H95 | N72-Y89 PolarHBondContact ND2-O 3.27Å; T84-Y89 WeakPolarHBondContact O-CA 2.97Å; T84-Y89 WeakPolarHBondContact O-CD2 2.65Å; G86-Y89 WeakPolarHBondContact O-CB 3.3Å; G86-Y89 PolarHBondContact O-N 3.35Å; G86-Y89 VanDerWaalsContact O-N 3.08Å; Y87-Y89 PolarHBondContact O-N 2.99Å; Y89-H95 AromaticContact CD2-CE1 3.53Å; Y89-H95 AromaticContact CD2-NE2 3.81Å; Y89-H95 AromaticContact CE2-CE1 3.52Å; Y89-H95 AromaticContact CE2-NE2 3.31Å; Y89-H95 VanDerWaalsContact CE2-NE2 3.31Å; Y89-H95 WeakPolarHBondContact CE2-NE2 3.43Å | ||
| 90 | R | 74.2 | Confident | 68.3 | Low | 164 Ų | 164 | 108.8 Ų | 108.8 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | trans | -139.5 | 143.6 | 165.1 | -46 | 180 | 170.3 | -166 | -3.1 | 108.8 | L88 D92 T93 | L88-R90 PolarHBondContact O-N 3.28Å; R90-D92 WeakPolarHBondContact CB-OD1 3.4Å; R90-D92 PolarHBondContact O-N 2.74Å; R90-T93 WeakPolarHBondContact CB-OG1 3.43Å; R90-T93 VanDerWaalsContact O-CB 3.23Å; R90-T93 WeakPolarHBondContact O-CB 3.23Å; R90-T93 PolarHBondContact O-N 3.37Å; R90-T93 PolarHBondContact O-OG1 3.39Å | ||
| 91 | R | 72.9 | Confident | 68.1 | Low | 164 Ų | 164 | 108.7 Ų | 108.7 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26.5 | -175.2 | -159 | -175.5 | -168.2 | 115.3 | -2.7 | 113 | E39 T93 | E39-R91 IonicContact OE2-CZ 3.65Å; E39-R91 IonicContact OE2-NE 3.9Å; E39-R91 IonicContact OE2-NH2 2.62Å; E39-R91 PolarHBondContact OE2-NH2 3.24Å; R91-T93 VanDerWaalsContact C-N 3.34Å |
| 92 | D | 73.3 | Confident | 68 | Low | 131 Ų | 131 | 105.9 Ų | 105.9 | 70% | 0.701 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6.7 | 175.9 | 62.1 | -32.4 | 0 | 0 | 0 | 112.9 | R90 D94 | R90-D92 WeakPolarHBondContact CB-OD1 3.4Å; R90-D92 PolarHBondContact O-N 2.74Å; D92-D94 PolarHBondContact O-N 3.42Å |
| 93 | T | 71.6 | Confident | 68.2 | Low | 43 Ų | 43 | 105.3 Ų | 105.3 | 26% | 0.264 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -72.6 | 126.3 | 176 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | T84 R90 R91 H95 | T84-T93 HydrophobicContact CG2-CG2 3.53Å; R90-T93 WeakPolarHBondContact CB-OG1 3.43Å; R90-T93 VanDerWaalsContact O-CB 3.23Å; R90-T93 WeakPolarHBondContact O-CB 3.23Å; R90-T93 PolarHBondContact O-N 3.37Å; R90-T93 PolarHBondContact O-OG1 3.39Å; R91-T93 VanDerWaalsContact C-N 3.34Å; T93-H95 PolarHBondContact O-CD2 3.03Å; T93-H95 VanDerWaalsContact O-CD2 3.25Å; T93-H95 PolarHBondContact O-N 3.02Å |
| 94 | D | 69.8 | Low | 68.3 | Low | 112 Ų | 112 | 107.8 Ų | 107.8 | 60% | 0.599 | 52% | 0.52 | S | S | * | . | trans | -67.3 | 99.7 | 173.8 | -172.9 | 0.6 | 0 | 0 | 0 | 110.1 | D92 T96 | D92-D94 PolarHBondContact O-N 3.42Å; D94-T96 PolarHBondContact O-N 3.39Å; D94-T96 WeakPolarHBondContact OD1-CB 3.46Å; D94-T96 VanDerWaalsContact OD1-CG2 3.23Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.23Å; D94-T96 PolarHBondContact OD1-N 2.73Å; D94-T96 PolarHBondContact OD1-OG1 3.13Å; D94-T96 PolarHBondContact OD2-OG1 3.25Å | ||
| 95 | H | 67.2 | Low | 68.7 | Low | 81 Ų | 81 | 109.7 Ų | 109.7 | 38% | 0.375 | 54% | 0.539 | S | S | . | . | trans | -73.9 | 5.4 | 175.9 | -60.4 | -67 | 0 | 0 | 0 | 113 | T84 Y89 T93 R97 | T84-H95 WeakPolarHBondContact CB-ND1 3.44Å; T84-H95 PolarHBondContact O-CE1 3.34Å; T84-H95 PolarHBondContact OG1-ND1 3.17Å; T84-H95 VanDerWaalsContact OG1-ND1 3.13Å; Y89-H95 AromaticContact CD2-CE1 3.53Å; Y89-H95 AromaticContact CD2-NE2 3.81Å; Y89-H95 AromaticContact CE2-CE1 3.52Å; Y89-H95 AromaticContact CE2-NE2 3.31Å; Y89-H95 VanDerWaalsContact CE2-NE2 3.31Å; Y89-H95 WeakPolarHBondContact CE2-NE2 3.43Å; T93-H95 PolarHBondContact O-CD2 3.03Å; T93-H95 VanDerWaalsContact O-CD2 3.25Å; T93-H95 PolarHBondContact O-N 3.02Å; H95-R97 PolarHBondContact O-N 3.4Å | ||
| 96 | T | 62.1 | Low | 69.4 | Low | 102 Ų | 102 | 111.5 Ų | 111.5 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -72.1 | 67.4 | 170.4 | 68.7 | 0 | 0 | 0 | 0 | 110.8 | D94 K98 | D94-T96 PolarHBondContact O-N 3.39Å; D94-T96 WeakPolarHBondContact OD1-CB 3.46Å; D94-T96 VanDerWaalsContact OD1-CG2 3.23Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.23Å; D94-T96 PolarHBondContact OD1-N 2.73Å; D94-T96 PolarHBondContact OD1-OG1 3.13Å; D94-T96 PolarHBondContact OD2-OG1 3.25Å; T96-K98 PolarHBondContact O-N 3.17Å |
| 97 | R | 56.7 | Low | 69.8 | Low | 151 Ų | 151 | 116.9 Ų | 116.9 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | trans | 37.3 | 73.6 | 146.5 | -146.9 | 173 | 88.1 | 138.2 | 8.8 | 114.2 | H95 R99 F100 | H95-R97 PolarHBondContact O-N 3.4Å; R97-R99 VanDerWaalsContact C-N 3.26Å; R97-R99 PolarHBondContact O-N 2.63Å; R97-F100 HydrophobicContact CG-CD2 3.52Å; R97-F100 HydrophobicContact CG-CE2 3.98Å; R97-F100 HydrophobicContact CG-CG 4.45Å | ||
| 98 | K | 57.2 | Low | 70.3 | Confident | 199 Ų | 199 | 115.4 Ų | 115.4 | 87% | 0.865 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -64.8 | 95 | 159.3 | -67.4 | -161.5 | -178.9 | -175.4 | 0 | 107.7 | T96 | T96-K98 PolarHBondContact O-N 3.17Š|
| 99 | R | 55.8 | Low | 70.8 | Confident | 223 Ų | 223 | 118.2 Ų | 118.2 | 84% | 0.842 | 59% | 0.591 | S | S | * | * | trans | 36 | 87.7 | 168.2 | -60.6 | -159.6 | 179.7 | -163 | 2.3 | 115.3 | R97 | R97-R99 VanDerWaalsContact C-N 3.26Å; R97-R99 PolarHBondContact O-N 2.63Å | ||
| 100 | F | 59.5 | Low | 71.1 | Confident | 45 Ų | 45 | 123.8 Ų | 123.8 | 20% | 0.197 | 61% | 0.611 | C | S | . | * | trans | -83.8 | 119.1 | 150.9 | -75.2 | -116.1 | 0 | 0 | 0 | 105.9 | Q81 K82 R97 V102 | Q81-F100 HydrophobicContact CB-CD1 3.9Å; Q81-F100 HydrophobicContact CB-CE1 3.55Å; Q81-F100 WeakPolarHBondContact O-CE1 3.22Å; Q81-F100 WeakPolarHBondContact O-CE2 3.31Å; Q81-F100 WeakPolarHBondContact O-CZ 3.39Å; K82-F100 HydrophobicContact CB-CE1 4.45Å; K82-F100 HydrophobicContact CB-CZ 4.01Å; K82-F100 HydrophobicContact CG-CE1 3.59Å; K82-F100 HydrophobicContact CG-CZ 3.35Å; R97-F100 HydrophobicContact CG-CD2 3.52Å; R97-F100 HydrophobicContact CG-CE2 3.98Å; R97-F100 HydrophobicContact CG-CG 4.45Å; F100-V102 HydrophobicContact CB-CB 4.03Å; F100-V102 HydrophobicContact CB-CG2 4.12Å; F100-V102 HydrophobicContact CD1-CG2 4Å; F100-V102 PolarHBondContact O-N 2.99Å | ||
| 101 | D | 67.5 | Low | 71.3 | Confident | 159 Ų | 159 | 125.7 Ų | 125.7 | 85% | 0.85 | 62% | 0.618 | S | S | * | * | trans | -66.3 | 9.6 | 164.5 | -58.9 | -41.8 | 0 | 0 | 0 | 111.9 | P103 | D101-P103 VanDerWaalsContact O-CD 3.26Å; D101-P103 WeakPolarHBondContact O-CD 3.26Å | ||
| 102 | V | 65.7 | Low | 71.6 | Confident | 69 Ų | 69 | 127 Ų | 127 | 42% | 0.418 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -77.5 | 112.3 | 171.6 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | F100 | F100-V102 HydrophobicContact CB-CB 4.03Å; F100-V102 HydrophobicContact CB-CG2 4.12Å; F100-V102 HydrophobicContact CD1-CG2 4Å; F100-V102 PolarHBondContact O-N 2.99Å |
| 103 | P | 71.5 | Confident | 71.5 | Confident | 104 Ų | 104 | 126.8 Ų | 126.8 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 145 | 175.8 | 24.1 | -31.6 | 0 | 0 | 0 | 109.7 | D101 A105 | D101-P103 VanDerWaalsContact O-CD 3.26Å; D101-P103 WeakPolarHBondContact O-CD 3.26Å; P103-A105 PolarHBondContact O-N 2.93Å |
| 104 | P | 71 | Confident | 71.5 | Confident | 105 Ų | 105 | 131.2 Ų | 131.2 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 139.2 | 173.4 | 25.4 | -32.8 | 0 | 0 | 0 | 109.6 | N106 | P104-N106 PolarHBondContact O-N 3.22Š|
| 105 | A | 80.8 | Confident | 71.6 | Confident | 78 Ų | 78 | 132.2 Ų | 132.2 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 126.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P103 L107 | P103-A105 PolarHBondContact O-N 2.93Å; A105-L107 PolarHBondContact O-N 3.38Å; A105-L107 VanDerWaalsContact O-N 3.1Å |
| 106 | N | 82.7 | Confident | 71.8 | Confident | 89 Ų | 89 | 135.2 Ų | 135.2 | 48% | 0.476 | 69% | 0.692 | S | S | . | * | trans | -77 | 96.7 | 174 | -176 | -6.1 | 0 | 0 | 0 | 109.1 | P104 V108 L109 | P104-N106 PolarHBondContact O-N 3.22Å; N106-V108 PolarHBondContact O-N 2.96Å; N106-V108 VanDerWaalsContact O-N 3.16Å; N106-V108 VanDerWaalsContact OD1-CB 3.23Å; N106-V108 WeakPolarHBondContact OD1-CB 2.94Å; N106-V108 WeakPolarHBondContact OD1-CG2 3.12Å; N106-V108 PolarHBondContact OD1-N 3.04Å; N106-L109 HydrophobicContact CB-CD1 4.05Å; N106-L109 HydrophobicContact CB-CG 4.14Å; N106-L109 PolarHBondContact O-N 3.42Å | ||
| 107 | L | 85.7 | Confident | 72.4 | Confident | 123 Ų | 123 | 137.3 Ų | 137.3 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -61.1 | -20.8 | 179.6 | -61.1 | 177.7 | 0 | 0 | 0 | 113.2 | A105 L109 W110 | A105-L107 PolarHBondContact O-N 3.38Å; A105-L107 VanDerWaalsContact O-N 3.1Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 PolarHBondContact O-N 2.85Å; L107-W110 PolarHBondContact O-N 3.2Å |
| 108 | V | 83.8 | Confident | 73.5 | Confident | 102 Ų | 102 | 136.4 Ų | 136.4 | 62% | 0.618 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -67.1 | -31.7 | 178.9 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | N106 W110 R111 | N106-V108 PolarHBondContact O-N 2.96Å; N106-V108 VanDerWaalsContact O-N 3.16Å; N106-V108 VanDerWaalsContact OD1-CB 3.23Å; N106-V108 WeakPolarHBondContact OD1-CB 2.94Å; N106-V108 WeakPolarHBondContact OD1-CG2 3.12Å; N106-V108 PolarHBondContact OD1-N 3.04Å; V108-W110 PolarHBondContact O-N 3.16Å; V108-W110 VanDerWaalsContact O-N 3.13Å; V108-R111 PolarHBondContact O-N 3.12Å; V108-R111 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 82.7 | Confident | 74.6 | Confident | 144 Ų | 144 | 131.9 Ų | 131.9 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -64 | -17.4 | 175.7 | -64.3 | 175.8 | 0 | 0 | 0 | 113.3 | N106 L107 | N106-L109 HydrophobicContact CB-CD1 4.05Å; N106-L109 HydrophobicContact CB-CG 4.14Å; N106-L109 PolarHBondContact O-N 3.42Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 PolarHBondContact O-N 2.85Å |
| 110 | W | 81.2 | Confident | 76.1 | Confident | 211 Ų | 211 | 124.9 Ų | 124.9 | 80% | 0.799 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -100.5 | -1.2 | 179.7 | -58.2 | 82.9 | 0 | 0 | 0 | 112.7 | L107 V108 | L107-W110 PolarHBondContact O-N 3.2Å; V108-W110 PolarHBondContact O-N 3.16Å; V108-W110 VanDerWaalsContact O-N 3.13Å |
| 111 | R | 79.2 | Confident | 77.5 | Confident | 204 Ų | 204 | 131.6 Ų | 131.6 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | -97.7 | 106.1 | 171.9 | -64.8 | -169.2 | -178.9 | -160 | -0 | 107.3 | V108 | V108-R111 PolarHBondContact O-N 3.12Å; V108-R111 VanDerWaalsContact O-N 3.08Å | ||
| 112 | S | 77.5 | Confident | 78.4 | Confident | 191 Ų | 191 | 129.1 Ų | 129.1 | 100% | 1.336 | 71% | 0.711 | S | S | * | * | trans | -60.9 | 0 | 170 | 56 | 0 | 0 | 0 | 0 | 112 |
Retrieved 112 of 112 residues in 174.3 ms
(Link to these results)