| 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 | 49.7 | Very low | 56.9 | Low | 242 Ų | 242 | 165.5 Ų | 165.5 | 100% | 1.192 | 85% | 0.851 | S | S | * | * | 0 | 136.8 | 0 | -85.2 | 172 | 157.8 | 0 | 0 | 107.7 | V3 | M1-V3 PolarHBondContact O-N 3.4Š| |||
| 2 | Q | 48 | Very low | 56 | Low | 203 Ų | 203 | 169.7 Ų | 169.7 | 95% | 0.949 | 85% | 0.848 | S | S | * | * | trans | -49.6 | 121.1 | -160.8 | -75.4 | 163.4 | -15.8 | 0 | 0 | 113.9 | ||||
| 3 | V | 56.6 | Low | 55.6 | Low | 139 Ų | 139 | 169.3 Ų | 169.3 | 84% | 0.842 | 85% | 0.848 | S | S | * | * | trans | -102.2 | 107.6 | 166.5 | -179.2 | 0 | 0 | 0 | 0 | 106 | M1 | M1-V3 PolarHBondContact O-N 3.4Š| ||
| 4 | G | 61.8 | Low | 54.9 | Low | 62 Ų | 62 | 164.8 Ų | 164.8 | 64% | 0.639 | 84% | 0.84 | S | S | * | * | trans | -72 | 130.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 5 | E | 58.6 | Low | 53.9 | Low | 194 Ų | 194 | 162.9 Ų | 162.9 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | trans | -67.9 | 125.1 | 169.8 | -64.7 | 172.2 | 150.4 | 0 | 0 | 109.3 | ||||
| 6 | Y | 63.3 | Low | 53.7 | Low | 220 Ų | 220 | 160.2 Ų | 160.2 | 86% | 0.863 | 83% | 0.832 | S | S | * | * | trans | -105.1 | 131.2 | 166.5 | -93.2 | -87.3 | 0 | 0 | 0 | 109.6 | ||||
| 7 | P | 63.9 | Low | 53.1 | Low | 105 Ų | 105 | 159.1 Ų | 159.1 | 68% | 0.682 | 83% | 0.828 | S | S | * | * | trans | -79.9 | 136.2 | -176.5 | 31.3 | -32.5 | 0 | 0 | 0 | 111.5 | S9 | P7-S9 PolarHBondContact O-N 3.43Å; P7-S9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | V | 58.6 | Low | 52.4 | Low | 145 Ų | 145 | 156.1 Ų | 156.1 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | -65.2 | 109.8 | 169.7 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 9 | S | 61.2 | Low | 51.9 | Low | 106 Ų | 106 | 154.6 Ų | 154.6 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | trans | -80.9 | 116.9 | 175 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | P7 R11 | P7-S9 PolarHBondContact O-N 3.43Å; P7-S9 VanDerWaalsContact O-N 3.16Å; S9-R11 PolarHBondContact O-N 3.3Å | ||
| 10 | E | 54.3 | Low | 51.2 | Low | 159 Ų | 159 | 153.7 Ų | 153.7 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | trans | -52.3 | 120.7 | 167.4 | -75.8 | 178.1 | 142.8 | 0 | 0 | 110.5 | R12 | E10-R12 VanDerWaalsContact C-N 3.33Å; E10-R12 PolarHBondContact O-N 3.49Å | ||
| 11 | R | 49.8 | Very low | 51 | Low | 245 Ų | 245 | 153.2 Ų | 153.2 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -70.2 | 93.8 | 162.9 | -80.5 | -173.5 | -170.9 | 173.8 | 3.5 | 108.9 | S9 I13 | S9-R11 PolarHBondContact O-N 3.3Å; R11-I13 PolarHBondContact O-N 3.5Å | ||
| 12 | R | 46.8 | Very low | 50.2 | Low | 216 Ų | 216 | 144.8 Ų | 144.8 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | -73.2 | 114.3 | 156.3 | -67.8 | -173.3 | 176.2 | -162.3 | -2.1 | 108.1 | E10 S14 | E10-R12 VanDerWaalsContact C-N 3.33Å; E10-R12 PolarHBondContact O-N 3.49Å; R12-S14 PolarHBondContact O-N 3.42Å | ||
| 13 | I | 50.4 | Low | 49.5 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 116.2 | 170.3 | -63.8 | 169.1 | 0 | 0 | 0 | 106.9 | R11 | R11-I13 PolarHBondContact O-N 3.5Š|
| 14 | S | 46.3 | Very low | 48.2 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 126.1 | -177 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | R12 | R12-S14 PolarHBondContact O-N 3.42Š|
| 15 | V | 40 | Very low | 47 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 135 | 154.3 | 175.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 16 | V | 50 | Low | 45.8 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | 148.2 | 134.7 | 168.2 | 151.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 17 | D | 43.2 | Very low | 44.7 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | cis | -159.2 | 156.4 | -6.2 | -103.9 | -30.7 | 0 | 0 | 0 | 108.2 | ||||
| 18 | S | 41.1 | Very low | 43.5 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -58.3 | 167.4 | -173.4 | -47.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 19 | P | 43.1 | Very low | 42.6 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | -121.1 | 131.3 | 125.4 | 34.7 | -27.4 | 0 | 0 | 0 | 112.4 | V21 | P19-V21 PolarHBondContact O-N 3.45Š| |||
| 20 | T | 37.7 | Very low | 41.7 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -57.2 | 112.8 | 178.2 | -51.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 21 | V | 46.1 | Very low | 41.6 | Very low | 144 Ų | 144 | 137 Ų | 137 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | trans | -151.5 | 114.9 | 150 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | P19 | P19-V21 PolarHBondContact O-N 3.45Š| ||
| 22 | G | 34.6 | Very low | 41.8 | Very low | 64 Ų | 64 | 125.7 Ų | 125.7 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | trans | 78.4 | 112.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | S24 | G22-S24 PolarHBondContact O-N 3.43Š| ||
| 23 | N | 31.4 | Very low | 42.5 | Very low | 176 Ų | 176 | 122.6 Ų | 122.6 | 94% | 0.941 | 74% | 0.735 | S | S | * | * | trans | -43.1 | 104 | 168.5 | -70.9 | -17.9 | 0 | 0 | 0 | 113.4 | ||||
| 24 | S | 30.2 | Very low | 43.9 | Very low | 103 Ų | 103 | 118 Ų | 118 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | -108.1 | 95.9 | 166.6 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | G22 H26 | G22-S24 PolarHBondContact O-N 3.43Å; S24-H26 PolarHBondContact O-N 2.99Å | ||
| 25 | T | 36.2 | Very low | 45.4 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | -45.6 | 132.4 | 162.7 | 39.2 | 0 | 0 | 0 | 0 | 110.2 | V27 | T25-V27 WeakPolarHBondContact O-CG2 3.38Å; T25-V27 PolarHBondContact O-N 2.91Å | ||
| 26 | H | 34.4 | Very low | 47.3 | Very low | 168 Ų | 168 | 118 Ų | 118 | 78% | 0.778 | 70% | 0.702 | S | S | * | * | trans | -36.4 | 97.6 | 165.7 | -168 | -89.2 | 0 | 0 | 0 | 110.3 | S24 N28 | S24-H26 PolarHBondContact O-N 2.99Å; H26-N28 VanDerWaalsContact C-N 3.3Å; H26-N28 PolarHBondContact O-N 3.43Å | ||
| 27 | V | 40.6 | Very low | 48.4 | Very low | 112 Ų | 112 | 113.3 Ų | 113.3 | 68% | 0.679 | 67% | 0.672 | S | S | * | * | trans | -75.3 | 95.1 | 177.5 | -169.2 | 0 | 0 | 0 | 0 | 105 | T25 C29 | T25-V27 WeakPolarHBondContact O-CG2 3.38Å; T25-V27 PolarHBondContact O-N 2.91Å; V27-C29 PolarHBondContact O-N 3.14Å; V27-C29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | N | 38.7 | Very low | 50.1 | Low | 114 Ų | 114 | 113.2 Ų | 113.2 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | trans | -42.7 | 119.1 | 158.5 | -78.2 | -24 | 0 | 0 | 0 | 107 | H26 T30 | H26-N28 VanDerWaalsContact C-N 3.3Å; H26-N28 PolarHBondContact O-N 3.43Å; N28-T30 WeakPolarHBondContact O-CA 3.39Å; N28-T30 PolarHBondContact O-N 3.28Å | ||
| 29 | C | 38.3 | Very low | 51.8 | Low | 133 Ų | 133 | 111 Ų | 111 | 90% | 0.899 | 65% | 0.648 | S | S | * | * | trans | -51.5 | 100.5 | 164.7 | -64.9 | 0 | 0 | 0 | 0 | 106.1 | V27 L31 | V27-C29 PolarHBondContact O-N 3.14Å; V27-C29 VanDerWaalsContact O-N 3.09Å; C29-L31 PolarHBondContact O-N 3.41Å | ||
| 30 | T | 43.7 | Very low | 53.5 | Low | 99 Ų | 99 | 109.1 Ų | 109.1 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | trans | -70.9 | 129 | -165.9 | 19.7 | 0 | 0 | 0 | 0 | 106.5 | N28 G32 | N28-T30 WeakPolarHBondContact O-CA 3.39Å; N28-T30 PolarHBondContact O-N 3.28Å; T30-G32 PolarHBondContact O-N 3.48Å | ||
| 31 | L | 51 | Low | 55.4 | Low | 146 Ų | 146 | 109.6 Ų | 109.6 | 76% | 0.764 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | 85.1 | 168.7 | -149.7 | 84.5 | 0 | 0 | 0 | 107.9 | C29 | C29-L31 PolarHBondContact O-N 3.41Š|
| 32 | G | 54.2 | Low | 56.9 | Low | 7 Ų | 7 | 106.9 Ų | 106.9 | 7% | 0.072 | 59% | 0.59 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -170.3 | -34.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | T30 | T30-G32 PolarHBondContact O-N 3.48Š|
| 33 | D | 61.1 | Low | 59.1 | Low | 151 Ų | 151 | 107.6 Ų | 107.6 | 81% | 0.807 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -104.1 | -3.8 | -170.3 | -67.5 | -20.7 | 0 | 0 | 0 | 114.3 | ||
| 34 | T | 80.3 | Confident | 61.5 | Low | 69 Ų | 69 | 101.7 Ų | 101.7 | 42% | 0.423 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -72.3 | 145.4 | 173.3 | 82.4 | 0 | 0 | 0 | 0 | 109.9 | E36 E37 K38 | T34-E36 WeakPolarHBondContact CB-OE2 3.48Å; T34-E36 PolarHBondContact O-N 3.09Å; T34-E36 VanDerWaalsContact O-N 3.13Å; T34-E36 PolarHBondContact OG1-N 2.72Å; T34-E36 PolarHBondContact OG1-OE2 3.43Å; T34-E37 PolarHBondContact O-N 3.43Å; T34-E37 PolarHBondContact OG1-N 3.44Å; T34-E37 VanDerWaalsContact OG1-N 3.17Å; T34-K38 PolarHBondContact O-N 2.9Å |
| 35 | V | 78.6 | Confident | 63.5 | Low | 116 Ų | 116 | 103.1 Ų | 103.1 | 70% | 0.703 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -53.2 | -33.3 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | T39 | V35-T39 WeakPolarHBondContact O-CB 3.44Å; V35-T39 PolarHBondContact O-N 3.42Å; V35-T39 PolarHBondContact O-OG1 3.42Å |
| 36 | E | 78.1 | Confident | 65.3 | Low | 126 Ų | 126 | 100.6 Ų | 100.6 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.6 | -36.9 | 175.6 | -51.3 | 104.9 | 170.9 | 0 | 0 | 113 | T34 R40 | T34-E36 WeakPolarHBondContact CB-OE2 3.48Å; T34-E36 PolarHBondContact O-N 3.09Å; T34-E36 VanDerWaalsContact O-N 3.13Å; T34-E36 PolarHBondContact OG1-N 2.72Å; T34-E36 PolarHBondContact OG1-OE2 3.43Å; E36-R40 VanDerWaalsContact O-CB 3.27Å; E36-R40 WeakPolarHBondContact O-CB 3.41Å; E36-R40 VanDerWaalsContact O-CG 3.24Å; E36-R40 WeakPolarHBondContact O-CG 3.4Å; E36-R40 PolarHBondContact O-N 3.35Å; E36-R40 PolarHBondContact O-NE 3.27Å |
| 37 | E | 72.9 | Confident | 66.4 | Low | 20 Ų | 20 | 99.4 Ų | 99.4 | 9% | 0.093 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -72.5 | -39.7 | 176.2 | -167.6 | 62.9 | -151.2 | 0 | 0 | 111.6 | T34 R40 R41 | T34-E37 PolarHBondContact O-N 3.43Å; T34-E37 PolarHBondContact OG1-N 3.44Å; T34-E37 VanDerWaalsContact OG1-N 3.17Å; E37-R40 PolarHBondContact O-N 2.87Å; E37-R40 IonicContact OE2-CZ 2.69Å; E37-R40 IonicContact OE2-NE 3.52Å; E37-R40 PolarHBondContact OE2-NE 2.98Å; E37-R40 IonicContact OE2-NH1 2.69Å; E37-R40 IonicContact OE2-NH2 2.99Å; E37-R40 PolarHBondContact OE2-NH2 3.35Å; E37-R41 PolarHBondContact O-N 3.37Å |
| 38 | K | 80.1 | Confident | 67 | Low | 139 Ų | 139 | 97.5 Ų | 97.5 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 174 | -165.2 | 172 | -177.2 | 177.8 | 0 | 111.1 | T34 R40 R41 I42 | T34-K38 PolarHBondContact O-N 2.9Å; K38-R40 VanDerWaalsContact C-N 3.35Å; K38-R40 PolarHBondContact O-N 3.49Å; K38-R41 PolarHBondContact O-N 3.26Å; K38-I42 HydrophobicContact CG-CD1 4.26Å; K38-I42 WeakPolarHBondContact O-CD1 3.39Å; K38-I42 VanDerWaalsContact O-CG1 3.27Å; K38-I42 WeakPolarHBondContact O-CG1 3.49Å; K38-I42 PolarHBondContact O-N 2.93Å |
| 39 | T | 77.6 | Confident | 67.5 | Low | 60 Ų | 60 | 99.2 Ų | 99.2 | 37% | 0.368 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 173.6 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | V35 R41 I42 L43 | V35-T39 WeakPolarHBondContact O-CB 3.44Å; V35-T39 PolarHBondContact O-N 3.42Å; V35-T39 PolarHBondContact O-OG1 3.42Å; T39-R41 PolarHBondContact O-N 3.49Å; T39-I42 PolarHBondContact O-N 2.89Å; T39-L43 HydrophobicContact CG2-CD1 3.77Å; T39-L43 HydrophobicContact CG2-CG 4.3Å; T39-L43 WeakPolarHBondContact O-CB 3.47Å; T39-L43 VanDerWaalsContact O-CG 3.31Å; T39-L43 WeakPolarHBondContact O-CG 3.34Å; T39-L43 PolarHBondContact O-N 3.17Å |
| 40 | R | 77.3 | Confident | 67.9 | Low | 87 Ų | 87 | 100.4 Ų | 100.4 | 33% | 0.328 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 175.4 | -84.2 | -178.1 | -76.9 | 169.7 | 5.6 | 112.9 | E36 E37 K38 L43 G44 W45 | E36-R40 VanDerWaalsContact O-CB 3.27Å; E36-R40 WeakPolarHBondContact O-CB 3.41Å; E36-R40 VanDerWaalsContact O-CG 3.24Å; E36-R40 WeakPolarHBondContact O-CG 3.4Å; E36-R40 PolarHBondContact O-N 3.35Å; E36-R40 PolarHBondContact O-NE 3.27Å; E37-R40 PolarHBondContact O-N 2.87Å; E37-R40 IonicContact OE2-CZ 2.69Å; E37-R40 IonicContact OE2-NE 3.52Å; E37-R40 PolarHBondContact OE2-NE 2.98Å; E37-R40 IonicContact OE2-NH1 2.69Å; E37-R40 IonicContact OE2-NH2 2.99Å; E37-R40 PolarHBondContact OE2-NH2 3.35Å; K38-R40 VanDerWaalsContact C-N 3.35Å; K38-R40 PolarHBondContact O-N 3.49Å; R40-L43 PolarHBondContact O-N 2.83Å; R40-G44 PolarHBondContact O-N 3.31Å; R40-G44 VanDerWaalsContact O-N 3.12Å; R40-W45 HydrophobicContact CB-CB 4.03Å; R40-W45 HydrophobicContact CG-CB 3.82Å; R40-W45 HydrophobicContact CG-CE3 4.08Å; R40-W45 PolarHBondContact O-N 3.16Å |
| 41 | R | 77.1 | Confident | 68 | Low | 147 Ų | 147 | 100.3 Ų | 100.3 | 56% | 0.555 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.4 | -45.4 | 173.7 | -73.9 | -174.9 | -158.4 | 163 | 5.6 | 112.1 | E37 K38 T39 L43 G44 T46 | E37-R41 PolarHBondContact O-N 3.37Å; K38-R41 PolarHBondContact O-N 3.26Å; T39-R41 PolarHBondContact O-N 3.49Å; R41-L43 VanDerWaalsContact C-N 3.27Å; R41-L43 PolarHBondContact O-N 2.93Å; R41-G44 PolarHBondContact O-N 3.3Å; R41-G44 VanDerWaalsContact O-N 3.17Å; R41-T46 HydrophobicContact CG-CG2 3.93Å |
| 42 | I | 78.5 | Confident | 67.5 | Low | 88 Ų | 88 | 103.5 Ų | 103.5 | 45% | 0.451 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -38.8 | 178.6 | -66.1 | 161.3 | 0 | 0 | 0 | 111 | K38 T39 F276 | K38-I42 HydrophobicContact CG-CD1 4.26Å; K38-I42 WeakPolarHBondContact O-CD1 3.39Å; K38-I42 VanDerWaalsContact O-CG1 3.27Å; K38-I42 WeakPolarHBondContact O-CG1 3.49Å; K38-I42 PolarHBondContact O-N 2.93Å; T39-I42 PolarHBondContact O-N 2.89Å; I42-F276 HydrophobicContact CD1-CE2 4.18Å; I42-F276 HydrophobicContact CD1-CZ 3.76Å; I42-F276 HydrophobicContact CG1-CZ 4.1Å; I42-F276 HydrophobicContact CG2-CE1 3.73Å; I42-F276 HydrophobicContact CG2-CZ 3.96Å |
| 43 | L | 81.7 | Confident | 66.9 | Low | 78 Ų | 78 | 108.1 Ų | 108.1 | 41% | 0.408 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | 0.6 | 180 | -63 | 176.7 | 0 | 0 | 0 | 114.7 | T39 R40 R41 W45 R292 | T39-L43 HydrophobicContact CG2-CD1 3.77Å; T39-L43 HydrophobicContact CG2-CG 4.3Å; T39-L43 WeakPolarHBondContact O-CB 3.47Å; T39-L43 VanDerWaalsContact O-CG 3.31Å; T39-L43 WeakPolarHBondContact O-CG 3.34Å; T39-L43 PolarHBondContact O-N 3.17Å; R40-L43 PolarHBondContact O-N 2.83Å; R41-L43 VanDerWaalsContact C-N 3.27Å; R41-L43 PolarHBondContact O-N 2.93Å; L43-W45 VanDerWaalsContact C-N 3.27Å; L43-W45 HydrophobicContact CB-CD2 4.07Å; L43-W45 HydrophobicContact CB-CG 4.03Å; L43-W45 HydrophobicContact CD1-CD2 4.13Å; L43-W45 HydrophobicContact CD1-CE3 4.11Å; L43-W45 HydrophobicContact CD1-CH2 3.86Å; L43-W45 HydrophobicContact CD1-CZ2 3.89Å; L43-W45 HydrophobicContact CD1-CZ3 3.97Å; L43-W45 VanDerWaalsContact O-CD1 3.3Å; L43-W45 PolarHBondContact O-N 2.75Å; L43-R292 PolarHBondContact O-NH2 3.28Å |
| 44 | G | 80.8 | Confident | 65.7 | Low | 52 Ų | 52 | 105.9 Ų | 105.9 | 54% | 0.536 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62.8 | 29.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R40 R41 T46 | R40-G44 PolarHBondContact O-N 3.31Å; R40-G44 VanDerWaalsContact O-N 3.12Å; R41-G44 PolarHBondContact O-N 3.3Å; R41-G44 VanDerWaalsContact O-N 3.17Å; G44-T46 VanDerWaalsContact C-N 3.33Å |
| 45 | W | 71.9 | Confident | 63.7 | Low | 134 Ų | 134 | 111.9 Ų | 111.9 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | trans | -91.8 | 18.9 | 179.1 | -71.5 | 2.8 | 0 | 0 | 0 | 113.4 | R40 L43 N47 R292 | R40-W45 HydrophobicContact CB-CB 4.03Å; R40-W45 HydrophobicContact CG-CB 3.82Å; R40-W45 HydrophobicContact CG-CE3 4.08Å; R40-W45 PolarHBondContact O-N 3.16Å; L43-W45 VanDerWaalsContact C-N 3.27Å; L43-W45 HydrophobicContact CB-CD2 4.07Å; L43-W45 HydrophobicContact CB-CG 4.03Å; L43-W45 HydrophobicContact CD1-CD2 4.13Å; L43-W45 HydrophobicContact CD1-CE3 4.11Å; L43-W45 HydrophobicContact CD1-CH2 3.86Å; L43-W45 HydrophobicContact CD1-CZ2 3.89Å; L43-W45 HydrophobicContact CD1-CZ3 3.97Å; L43-W45 VanDerWaalsContact O-CD1 3.3Å; L43-W45 PolarHBondContact O-N 2.75Å; W45-N47 PolarHBondContact O-N 2.85Å; W45-R292 VanDerWaalsContact CD1-NH2 3.31Å | ||
| 46 | T | 73.5 | Confident | 61.8 | Low | 67 Ų | 67 | 117.6 Ų | 117.6 | 41% | 0.411 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -71.4 | 128.7 | 171.9 | 55.5 | 0 | 0 | 0 | 0 | 108.6 | R41 G44 G48 | R41-T46 HydrophobicContact CG-CG2 3.93Å; G44-T46 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 3.49Å |
| 47 | N | 57.8 | Low | 59.7 | Low | 142 Ų | 142 | 120.9 Ų | 120.9 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | trans | -53.9 | 106.8 | 174 | -68.9 | -32.1 | 0 | 0 | 0 | 108.8 | W45 D49 | W45-N47 PolarHBondContact O-N 2.85Å; N47-D49 PolarHBondContact O-N 3.49Å | ||
| 48 | G | 53.4 | Low | 58 | Low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 11.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | T46 | T46-G48 PolarHBondContact O-N 3.49Š|
| 49 | D | 50.5 | Low | 56 | Low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -3.4 | -172 | -65.5 | -36.6 | 0 | 0 | 0 | 114.9 | N47 | N47-D49 PolarHBondContact O-N 3.49Š|
| 50 | N | 46.7 | Very low | 54.3 | Low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -145.5 | 30.1 | -169.4 | -92.4 | -25.9 | 0 | 0 | 0 | 118.3 | ||
| 51 | S | 45 | Very low | 52.2 | Low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | trans | -151.3 | 104.3 | 157.7 | 62.6 | 0 | 0 | 0 | 0 | 113 | S53 | S51-S53 PolarHBondContact O-N 3.13Š| ||
| 52 | K | 39.6 | Very low | 50.3 | Low | 214 Ų | 214 | 142.1 Ų | 142.1 | 93% | 0.93 | 72% | 0.722 | S | S | * | * | trans | -68.8 | 79.2 | 156.5 | -72.9 | 179.9 | 177.8 | 178.2 | 0 | 107.5 | S54 | K52-S54 VanDerWaalsContact C-N 3.33Å; K52-S54 PolarHBondContact O-N 3.46Å; K52-S54 VanDerWaalsContact O-N 3.11Å | ||
| 53 | S | 42.7 | Very low | 48.4 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -79.6 | 89.9 | 169.2 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | S51 Y55 | S51-S53 PolarHBondContact O-N 3.13Å; S53-Y55 PolarHBondContact O-N 3.44Å | ||
| 54 | S | 35.8 | Very low | 46.2 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -71.5 | 98.5 | 169.9 | 159.7 | 0 | 0 | 0 | 0 | 109.3 | K52 | K52-S54 VanDerWaalsContact C-N 3.33Å; K52-S54 PolarHBondContact O-N 3.46Å; K52-S54 VanDerWaalsContact O-N 3.11Å | ||
| 55 | Y | 38.2 | Very low | 44.2 | Very low | 195 Ų | 195 | 147 Ų | 147 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | -154.9 | 138.4 | 155.6 | -109.3 | -89.6 | 0 | 0 | 0 | 106.4 | S53 | S53-Y55 PolarHBondContact O-N 3.44Š| ||
| 56 | W | 38.2 | Very low | 42.4 | Very low | 236 Ų | 236 | 145.9 Ų | 145.9 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | 89.8 | 66 | -177.9 | -36.6 | 112 | 0 | 0 | 0 | 117.6 | ||||
| 57 | E | 34.6 | Very low | 40.5 | Very low | 195 Ų | 195 | 149 Ų | 149 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | -143.3 | 128.1 | 145.1 | -108 | -168.4 | -179.2 | 0 | 0 | 109 | ||||
| 58 | P | 37.5 | Very low | 39.6 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | trans | -137.2 | 138.4 | 144.6 | 40.2 | -26.6 | 0 | 0 | 0 | 113.6 | ||||
| 59 | Y | 37.6 | Very low | 39 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 69.7 | 108.1 | 168.3 | -59.2 | -85.4 | 0 | 0 | 0 | 115.4 | ||
| 60 | Y | 41.4 | Very low | 38.7 | Very low | 228 Ų | 228 | 152.4 Ų | 152.4 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | -144.3 | 120.3 | 50.2 | -61.1 | -90.3 | 0 | 0 | 0 | 111.5 | |||||
| 61 | R | 34.2 | Very low | 38.2 | Very low | 226 Ų | 226 | 148.3 Ų | 148.3 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -115.5 | 118.3 | 170.9 | -167.2 | -169.4 | -129.1 | -151.8 | 5.2 | 108 | ||||
| 62 | T | 37.2 | Very low | 38.2 | Very low | 137 Ų | 137 | 155.6 Ų | 155.6 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -130.7 | 76.8 | 156.4 | -43.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 63 | T | 39.1 | Very low | 38.6 | Very low | 86 Ų | 86 | 157.2 Ų | 157.2 | 53% | 0.528 | 78% | 0.782 | S | S | . | * | 64.8 | 116.5 | 104.8 | 35.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 64 | T | 35.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 155.6 Ų | 155.6 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | 69.6 | 136.6 | 133.3 | 55.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 65 | T | 38.1 | Very low | 39.2 | Very low | 116 Ų | 116 | 160.5 Ų | 160.5 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | cis | -172.8 | 136.3 | 19.8 | -2.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 66 | T | 33.1 | Very low | 39.4 | Very low | 112 Ų | 112 | 162.3 Ų | 162.3 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | 7.9 | 145.7 | 142.2 | 61.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 67 | T | 34.8 | Very low | 39.8 | Very low | 133 Ų | 133 | 161.9 Ų | 161.9 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | 93.9 | 125.8 | 150.2 | 65.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 68 | A | 39.3 | Very low | 40.5 | Very low | 91 Ų | 91 | 159.3 Ų | 159.3 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | 78.4 | 107.2 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 69 | D | 40.5 | Very low | 40.8 | Very low | 127 Ų | 127 | 162.5 Ų | 162.5 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | 79.7 | 133.5 | 118.2 | -145.5 | 18.7 | 0 | 0 | 0 | 118.7 | |||||
| 70 | R | 43.3 | Very low | 41.6 | Very low | 217 Ų | 217 | 158.5 Ų | 158.5 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | trans | 69.6 | 110.5 | 160.5 | -65.6 | 166 | -160 | -147.3 | -1.8 | 118.5 | ||||
| 71 | G | 37.3 | Very low | 41.9 | Very low | 72 Ų | 72 | 154.8 Ų | 154.8 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -57.7 | 148.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 72 | R | 44.4 | Very low | 42.4 | Very low | 250 Ų | 250 | 146.9 Ų | 146.9 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | trans | -169.1 | 144.2 | 136.8 | -108 | 179.2 | -161.6 | -120.1 | 5.5 | 109.8 | ||||
| 73 | R | 47.6 | Very low | 42.6 | Very low | 247 Ų | 247 | 149.6 Ų | 149.6 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -49.1 | 142.1 | 178.6 | -64 | -179.7 | -112.7 | -127.7 | -0.4 | 113.9 | ||||
| 74 | G | 42.6 | Very low | 42.8 | Very low | 71 Ų | 71 | 152 Ų | 152 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 91.1 | 114.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 75 | K | 49.4 | Very low | 43.3 | Very low | 206 Ų | 206 | 152.9 Ų | 152.9 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | 177.8 | 130.4 | 99.8 | -91.9 | 174.9 | -178.2 | -174.4 | 0 | 109.4 | |||||
| 76 | R | 41.8 | Very low | 44 | Very low | 233 Ų | 233 | 151.7 Ų | 151.7 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -55.1 | 138.3 | 167.8 | -82.2 | 172.6 | 149.8 | -158.8 | -6.2 | 110.8 | ||||
| 77 | W | 46.9 | Very low | 44.4 | Very low | 227 Ų | 227 | 153.6 Ų | 153.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -148.9 | 130.5 | 144.3 | -88.6 | 101.5 | 0 | 0 | 0 | 109.6 | ||||
| 78 | N | 49.3 | Very low | 44.9 | Very low | 141 Ų | 141 | 155.7 Ų | 155.7 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | 78.3 | 94.1 | 156.7 | -56.7 | -34.3 | 0 | 0 | 0 | 119.9 | ||||
| 79 | Q | 42.7 | Very low | 45.1 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 133.6 | 161.3 | -174.9 | 174.6 | 23.7 | 0 | 0 | 108.6 | ||
| 80 | P | 54.2 | Low | 45.1 | Very low | 117 Ų | 117 | 159.7 Ų | 159.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 135 | 157.5 | 13 | 3 | 0 | 0 | 0 | 110.8 | ||
| 81 | V | 48.9 | Very low | 45 | Very low | 150 Ų | 150 | 158.1 Ų | 158.1 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 142.9 | 160.2 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | ||
| 82 | G | 44.5 | Very low | 45 | Very low | 61 Ų | 61 | 161 Ų | 161 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | cis | 163.1 | 129.7 | 3.3 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 83 | E | 42.1 | Very low | 44.9 | Very low | 194 Ų | 194 | 155 Ų | 155 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -152.3 | 123.3 | 159.6 | -111.9 | 172.2 | -149.1 | 0 | 0 | 107.6 | ||||
| 84 | T | 42.1 | Very low | 44.5 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -95.2 | 118.2 | -163.7 | -56.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 85 | V | 46.9 | Very low | 44.4 | Very low | 136 Ų | 136 | 156.7 Ų | 156.7 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -123.2 | 122.2 | 162.8 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 86 | P | 52.3 | Low | 44 | Very low | 91 Ų | 91 | 150 Ų | 150 | 59% | 0.591 | 80% | 0.802 | S | S | * | * | trans | -81.2 | 127.9 | -168 | 31.8 | -33.9 | 0 | 0 | 0 | 111.7 | K88 | P86-K88 PolarHBondContact O-N 2.86Š| ||
| 87 | N | 41.4 | Very low | 44.1 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -57.6 | 107.5 | 162.5 | -94.7 | -47.7 | 0 | 0 | 0 | 110.2 | ||||
| 88 | K | 44.8 | Very low | 43.9 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -112.4 | 78.9 | 160.1 | -66.1 | -169.4 | -177.7 | -178.3 | 0 | 108.6 | P86 L90 | P86-K88 PolarHBondContact O-N 2.86Å; K88-L90 VanDerWaalsContact C-N 3.31Å; K88-L90 PolarHBondContact O-N 3.5Å; K88-L90 VanDerWaalsContact O-N 3.12Å | ||
| 89 | I | 43.7 | Very low | 43.6 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -75.2 | 95.8 | 159.3 | -61 | 175.7 | 0 | 0 | 0 | 105.5 | K91 | I89-K91 PolarHBondContact O-N 3.31Š| ||
| 90 | L | 42.1 | Very low | 44 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -64.7 | 115.6 | 174.1 | -83.7 | 157.6 | 0 | 0 | 0 | 109.3 | K88 C92 | K88-L90 VanDerWaalsContact C-N 3.31Å; K88-L90 PolarHBondContact O-N 3.5Å; K88-L90 VanDerWaalsContact O-N 3.12Å; L90-C92 PolarHBondContact O-N 3.45Å | ||
| 91 | K | 39.9 | Very low | 43.7 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -61.5 | 117.9 | 159.9 | -89.6 | 167 | 167.3 | 170.8 | 0 | 109.1 | I89 T93 | I89-K91 PolarHBondContact O-N 3.31Å; K91-T93 PolarHBondContact O-N 2.92Å | ||
| 92 | C | 38.2 | Very low | 43.8 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | trans | -91.2 | 89.9 | 157.3 | -69.1 | 0 | 0 | 0 | 0 | 108.5 | L90 | L90-C92 PolarHBondContact O-N 3.45Š| ||
| 93 | T | 41.5 | Very low | 44.2 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | -82.2 | 112.3 | 163.9 | 31.8 | 0 | 0 | 0 | 0 | 109.1 | K91 | K91-T93 PolarHBondContact O-N 2.92Š| ||
| 94 | A | 39.2 | Very low | 45.5 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -91.3 | 107.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 95 | R | 40.8 | Very low | 47.1 | Very low | 249 Ų | 249 | 140 Ų | 140 | 94% | 0.94 | 79% | 0.794 | S | S | * | * | trans | -157.8 | 110.3 | 160.2 | -139.8 | 179.9 | -173.7 | -166.8 | 1.2 | 111.2 | ||||
| 96 | G | 41.2 | Very low | 48.4 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | 84.9 | 110.7 | 134.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 97 | S | 43.3 | Very low | 49.2 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 63.7 | 103.6 | 136.9 | 60.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 98 | D | 42.3 | Very low | 50.4 | Low | 157 Ų | 157 | 139.2 Ų | 139.2 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | -159.4 | 133.3 | 106.4 | -136.7 | -17.6 | 0 | 0 | 0 | 109.8 | |||||
| 99 | P | 44.4 | Very low | 50.9 | Low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -106.2 | 107.1 | -171.5 | 34.7 | -21 | 0 | 0 | 0 | 111 | ||||
| 100 | T | 51.1 | Low | 51.4 | Low | 122 Ų | 122 | 136.5 Ų | 136.5 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -152.1 | 120.1 | 158.4 | 32.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 101 | Q | 46.3 | Very low | 51.9 | Low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 61.2 | 91 | 150 | -58.9 | -172.1 | 62.7 | 0 | 0 | 118.5 | ||||
| 102 | L | 51.1 | Low | 52.8 | Low | 181 Ų | 181 | 131.4 Ų | 131.4 | 95% | 0.948 | 80% | 0.802 | S | S | * | * | trans | -156.5 | 107.1 | 133.6 | -78.8 | -170.7 | 0 | 0 | 0 | 108.7 | ||||
| 103 | T | 54.7 | Low | 53.5 | Low | 137 Ų | 137 | 133.5 Ų | 133.5 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 127.8 | -178.8 | -35.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 104 | P | 68.9 | Low | 54.1 | Low | 107 Ų | 107 | 136.4 Ų | 136.4 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 149.5 | 168.7 | 28.5 | -31.8 | 0 | 0 | 0 | 111 | ||
| 105 | P | 74.3 | Confident | 54.5 | Low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 147.9 | -179.2 | 27.4 | -34.1 | 0 | 0 | 0 | 112.1 | S107 | P105-S107 PolarHBondContact O-N 3.12Š|
| 106 | P | 74.6 | Confident | 55.2 | Low | 133 Ų | 133 | 136.2 Ų | 136.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 121 | -180 | 28.1 | -32.3 | 0 | 0 | 0 | 111.7 | ||
| 107 | S | 68.8 | Low | 56.6 | Low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 146.1 | 168.5 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | P105 S109 | P105-S107 PolarHBondContact O-N 3.12Å; S107-S109 PolarHBondContact O-N 3.29Å |
| 108 | P | 67.3 | Low | 57.8 | Low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 124.9 | -172 | 25.5 | -33.4 | 0 | 0 | 0 | 112.4 | L110 | P108-L110 PolarHBondContact O-N 2.92Š|
| 109 | S | 54.2 | Low | 58.5 | Low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -71.5 | 103.3 | 169.8 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | S107 S111 | S107-S109 PolarHBondContact O-N 3.29Å; S109-S111 PolarHBondContact O-N 3.05Å | ||
| 110 | L | 55.7 | Low | 59 | Low | 165 Ų | 165 | 140.9 Ų | 140.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -80.8 | 107.8 | 164.4 | -72.6 | 170.5 | 0 | 0 | 0 | 108.1 | P108 | P108-L110 PolarHBondContact O-N 2.92Š| ||
| 111 | S | 53 | Low | 58.7 | Low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | -60.3 | 126.6 | 178.1 | -71.4 | 0 | 0 | 0 | 0 | 111 | S109 Q113 | S109-S111 PolarHBondContact O-N 3.05Å; S111-Q113 PolarHBondContact O-N 2.97Å | ||
| 112 | P | 57 | Low | 58.6 | Low | 130 Ų | 130 | 135.4 Ų | 135.4 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -81.1 | 71.4 | 176.6 | 33.3 | -32.3 | 0 | 0 | 0 | 109.5 | ||
| 113 | Q | 54.4 | Low | 58.3 | Low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -139.8 | 10.9 | 173.7 | -80.6 | -142.6 | 11.6 | 0 | 0 | 115.5 | S111 | S111-Q113 PolarHBondContact O-N 2.97Š| ||
| 114 | Q | 53.4 | Low | 58 | Low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -118.8 | 17.4 | -175.6 | -68.7 | -165.9 | -13.1 | 0 | 0 | 116.6 | ||
| 115 | M | 48.6 | Very low | 57.2 | Low | 187 Ų | 187 | 137 Ų | 137 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -130.4 | 67.9 | 170.2 | -76.4 | -172.6 | 65.6 | 0 | 0 | 111.8 | ||||
| 116 | L | 53.6 | Low | 55.7 | Low | 162 Ų | 162 | 134.1 Ų | 134.1 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -93.5 | 115.8 | 158.1 | -94.1 | 144.5 | 0 | 0 | 0 | 107.9 | ||||
| 117 | P | 72 | Confident | 54.2 | Low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -69.4 | 145.2 | 168.1 | 28 | -31.2 | 0 | 0 | 0 | 110.2 | ||||
| 118 | P | 68.9 | Low | 52.9 | Low | 96 Ų | 96 | 140.4 Ų | 140.4 | 62% | 0.623 | 80% | 0.802 | S | S | * | * | trans | -68 | 144.6 | 178.4 | 27.8 | -32.6 | 0 | 0 | 0 | 111.1 | Y120 | P118-Y120 HydrophobicContact CB-CE2 4.39Å; P118-Y120 HydrophobicContact CG-CD2 4.41Å; P118-Y120 HydrophobicContact CG-CE2 4.18Å; P118-Y120 PolarHBondContact O-N 3.5Å | ||
| 119 | P | 56.3 | Low | 51.6 | Low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -80.8 | 109.1 | -179.9 | 32.6 | -29.2 | 0 | 0 | 0 | 109.1 | ||||
| 120 | Y | 55.5 | Low | 51.1 | Low | 217 Ų | 217 | 139.3 Ų | 139.3 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -99.4 | 105.1 | 164.2 | -82.9 | -85.5 | 0 | 0 | 0 | 109 | P118 | P118-Y120 HydrophobicContact CB-CE2 4.39Å; P118-Y120 HydrophobicContact CG-CD2 4.41Å; P118-Y120 HydrophobicContact CG-CE2 4.18Å; P118-Y120 PolarHBondContact O-N 3.5Å | ||
| 121 | G | 44.4 | Very low | 50.4 | Low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -68.1 | 131.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 122 | S | 44.2 | Very low | 50 | Low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -148.5 | 127 | 155 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 123 | H | 44.5 | Very low | 49 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | trans | -83.5 | 121.4 | -173.8 | -50.5 | -96.3 | 0 | 0 | 0 | 108.5 | ||||
| 124 | V | 48.5 | Very low | 48.1 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -137.6 | 122.6 | 154.2 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 125 | T | 53 | Low | 47.4 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -79.7 | 141.3 | -172.5 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 126 | G | 40.9 | Very low | 47 | Very low | 54 Ų | 54 | 134.1 Ų | 134.1 | 56% | 0.557 | 80% | 0.803 | S | S | * | * | trans | 91.4 | 102.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 127 | Y | 44.7 | Very low | 46.2 | Very low | 246 Ų | 246 | 132.2 Ų | 132.2 | 97% | 0.965 | 80% | 0.802 | S | S | * | * | -166.2 | 144.8 | 99.3 | -81.5 | -69.7 | 0 | 0 | 0 | 109.1 | |||||
| 128 | S | 40.1 | Very low | 44.7 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -71 | 155.7 | -165.5 | -124.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 129 | A | 40.8 | Very low | 43.2 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -60.5 | 143.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 130 | A | 43 | Very low | 42.5 | Very low | 108 Ų | 108 | 137 Ų | 137 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -128.5 | 119.3 | 141.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 131 | S | 40.7 | Very low | 41.7 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -84.4 | 130.7 | -171.8 | -169 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 132 | A | 44.6 | Very low | 41.4 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -175.9 | 126.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 133 | G | 37.4 | Very low | 41.3 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 90.5 | 59.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118 | L135 | G133-L135 PolarHBondContact O-N 3.37Š| ||
| 134 | R | 35.6 | Very low | 40.9 | Very low | 216 Ų | 216 | 135.3 Ų | 135.3 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | trans | -72.7 | 105.6 | 159.4 | -163.7 | -175.3 | -172.5 | -159.2 | 3.4 | 108.5 | ||||
| 135 | L | 39.2 | Very low | 40.3 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -110.5 | 103.9 | 163.3 | -72.2 | 176.2 | 0 | 0 | 0 | 108.9 | G133 | G133-L135 PolarHBondContact O-N 3.37Š| ||
| 136 | Q | 40 | Very low | 39.7 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | trans | -71.9 | 118.3 | 162.6 | -77.9 | 170.8 | -38.8 | 0 | 0 | 107.9 | A138 | Q136-A138 PolarHBondContact O-N 2.97Š| ||
| 137 | C | 36.7 | Very low | 40.3 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | trans | -85 | 102.8 | 166.7 | -61.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 138 | A | 39 | Very low | 40.2 | Very low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -74.2 | 128.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109 | Q136 Q140 | Q136-A138 PolarHBondContact O-N 2.97Å; A138-Q140 PolarHBondContact O-N 3.35Å | ||
| 139 | V | 37.5 | Very low | 40.1 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -75.4 | 113.4 | 172.5 | 170.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 140 | Q | 41.5 | Very low | 40 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -156.8 | 115.5 | 158.2 | -158.1 | 152.9 | 9.2 | 0 | 0 | 112.4 | A138 | A138-Q140 PolarHBondContact O-N 3.35Š| ||
| 141 | G | 40.4 | Very low | 40.2 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 65.8 | 111.3 | 137.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | H143 | G141-H143 PolarHBondContact O-N 3.34Š| ||
| 142 | D | 37.5 | Very low | 40.3 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -6.4 | 118.8 | 152.4 | -65.7 | -36.7 | 0 | 0 | 0 | 115.5 | ||||
| 143 | H | 41.5 | Very low | 39.9 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -172.7 | 125.2 | 134.1 | -78.3 | -40.9 | 0 | 0 | 0 | 109.7 | G141 | G141-H143 PolarHBondContact O-N 3.34Š| ||
| 144 | T | 37.2 | Very low | 40.1 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -56.7 | 125.3 | 169.7 | 30.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 145 | C | 36.2 | Very low | 40.5 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -165.2 | 116.4 | 149 | 34.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 146 | I | 38.6 | Very low | 40.9 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 39.4 | 121.4 | 135.5 | -44.5 | 176.3 | 0 | 0 | 0 | 118.2 | D148 | I146-D148 PolarHBondContact O-N 3Š| ||
| 147 | P | 55.3 | Low | 41.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -78.6 | 117.6 | 166.1 | 31.5 | -27.7 | 0 | 0 | 0 | 110.2 | T149 | P147-T149 PolarHBondContact O-N 2.63Š| ||
| 148 | D | 42.2 | Very low | 42 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -62.2 | 121.4 | 169.9 | -104.2 | -35.5 | 0 | 0 | 0 | 111 | I146 | I146-D148 PolarHBondContact O-N 3Š| ||
| 149 | T | 37 | Very low | 42.5 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | -95.6 | 85 | 169.8 | 45 | 0 | 0 | 0 | 0 | 110.1 | P147 | P147-T149 PolarHBondContact O-N 2.63Š| ||
| 150 | S | 39.5 | Very low | 42.9 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -174.4 | 88.6 | 169.7 | 27.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 151 | A | 46.1 | Very low | 43.5 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -163.6 | 95.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 152 | A | 43.4 | Very low | 44.1 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | 93.9 | 115.5 | 88 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 153 | Y | 36.2 | Very low | 45.2 | Very low | 238 Ų | 238 | 132.7 Ų | 132.7 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | trans | -50.4 | 139.3 | 179.6 | -75.8 | -105.9 | 0 | 0 | 0 | 113.8 | ||||
| 154 | S | 41.2 | Very low | 45.9 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -146.9 | 119.8 | 148.2 | -148.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 155 | P | 44.2 | Very low | 46.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -90.9 | 121.4 | -180 | 33.8 | -26.8 | 0 | 0 | 0 | 109.6 | ||||
| 156 | V | 47.8 | Very low | 47.1 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -128.6 | 104.8 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 157 | S | 52.9 | Low | 47.8 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 39.3 | 128.7 | 146.8 | -60 | 0 | 0 | 0 | 0 | 121.8 | H159 | S157-H159 PolarHBondContact O-N 3.48Š| ||
| 158 | P | 47.3 | Very low | 47.6 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -83.7 | 100.6 | 169.3 | 33.6 | -27 | 0 | 0 | 0 | 109.5 | N160 | P158-N160 PolarHBondContact O-N 2.92Š| ||
| 159 | H | 48.6 | Very low | 48.3 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -93.9 | 94.6 | 168.3 | -145 | -26.6 | 0 | 0 | 0 | 109.5 | S157 G161 | S157-H159 PolarHBondContact O-N 3.48Å; H159-G161 PolarHBondContact O-N 3.26Å | ||
| 160 | N | 45.4 | Very low | 49.1 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -70.1 | 110.8 | 161.9 | -78 | -43.6 | 0 | 0 | 0 | 108 | P158 | P158-N160 PolarHBondContact O-N 2.92Š| ||
| 161 | G | 55.5 | Low | 50.6 | Low | 47 Ų | 47 | 139.7 Ų | 139.7 | 49% | 0.485 | 77% | 0.771 | S | S | . | * | trans | -145.2 | 147.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | H159 V163 | H159-G161 PolarHBondContact O-N 3.26Å; G161-V163 PolarHBondContact O-N 2.96Å | ||
| 162 | P | 51.8 | Low | 52.1 | Low | 134 Ų | 134 | 137.6 Ų | 137.6 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | trans | -64.8 | 122.4 | -174.4 | 27.9 | -31.9 | 0 | 0 | 0 | 109.3 | E164 | P162-E164 PolarHBondContact O-N 3.36Š| ||
| 163 | V | 60.5 | Low | 53.5 | Low | 141 Ų | 141 | 137 Ų | 137 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -63.8 | 102 | 179.9 | 169.2 | 0 | 0 | 0 | 0 | 109 | G161 | G161-V163 PolarHBondContact O-N 2.96Š| ||
| 164 | E | 56.1 | Low | 55.2 | Low | 141 Ų | 141 | 129.2 Ų | 129.2 | 66% | 0.659 | 73% | 0.726 | S | S | * | * | trans | -57.8 | 134.7 | 160 | -168.1 | -153.2 | 168.5 | 0 | 0 | 108.3 | P162 Q166 | P162-E164 PolarHBondContact O-N 3.36Å; E164-Q166 VanDerWaalsContact C-N 3.31Å; E164-Q166 PolarHBondContact O-N 3.47Å | ||
| 165 | P | 52.5 | Low | 57.1 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | trans | -66 | 93.7 | 176.7 | 26.3 | -32.6 | 0 | 0 | 0 | 109.3 | ||||
| 166 | Q | 47.5 | Very low | 58.7 | Low | 132 Ų | 132 | 124.7 Ų | 124.7 | 62% | 0.617 | 69% | 0.688 | S | S | * | * | trans | -49.6 | 128.8 | 172.5 | -85.1 | -80.7 | -38.8 | 0 | 0 | 109 | E164 R168 | E164-Q166 VanDerWaalsContact C-N 3.31Å; E164-Q166 PolarHBondContact O-N 3.47Å; Q166-R168 PolarHBondContact O-N 3.31Å; Q166-R168 VanDerWaalsContact O-N 3.12Å | ||
| 167 | P | 51.9 | Low | 59.8 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | trans | -56 | 124.2 | -179.9 | 23.5 | -31.5 | 0 | 0 | 0 | 107.3 | R169 | P167-R169 PolarHBondContact O-N 3.02Š| ||
| 168 | R | 52.3 | Low | 61 | Low | 244 Ų | 244 | 122.9 Ų | 122.9 | 92% | 0.921 | 66% | 0.659 | S | S | * | * | trans | -43.7 | 100.2 | -175.3 | -66.5 | 179.8 | -176.2 | 149.1 | 0.6 | 108.8 | Q166 V170 | Q166-R168 PolarHBondContact O-N 3.31Å; Q166-R168 VanDerWaalsContact O-N 3.12Å; R168-V170 PolarHBondContact O-N 2.96Å | ||
| 169 | R | 57.3 | Low | 62.5 | Low | 216 Ų | 216 | 119.9 Ų | 119.9 | 82% | 0.815 | 64% | 0.635 | S | S | * | * | trans | -55 | 118.1 | 178.3 | -88.5 | -173.9 | 177.1 | 162 | 0 | 106.1 | P167 R171 | P167-R169 PolarHBondContact O-N 3.02Å; R169-R171 PolarHBondContact O-N 3.49Å | ||
| 170 | V | 53.5 | Low | 63.6 | Low | 141 Ų | 141 | 111.8 Ų | 111.8 | 86% | 0.855 | 60% | 0.598 | S | S | * | * | trans | -52.7 | 108.8 | 169.3 | 179 | 0 | 0 | 0 | 0 | 105.1 | R168 S172 | R168-V170 PolarHBondContact O-N 2.96Å; V170-S172 PolarHBondContact O-N 3.48Å | ||
| 171 | R | 70.1 | Confident | 64.8 | Low | 159 Ų | 159 | 106.7 Ų | 106.7 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | trans | -55.7 | 126.9 | 178.8 | -79.2 | -172.6 | 171.9 | 157.6 | -0.9 | 106.8 | R169 D175 V176 | R169-R171 PolarHBondContact O-N 3.49Å; R171-D175 HydrophobicContact CB-CB 4.18Å; R171-D175 HydrophobicContact CG-CB 4.48Å; R171-V176 HydrophobicContact CB-CG2 3.88Å | ||
| 172 | S | 77.8 | Confident | 65.9 | Low | 55 Ų | 55 | 112 Ų | 112 | 39% | 0.385 | 58% | 0.583 | S | S | . | * | trans | -61.6 | 153.3 | 175.6 | 70.5 | 0 | 0 | 0 | 0 | 108.4 | V170 S174 D175 V176 | V170-S172 PolarHBondContact O-N 3.48Å; S172-S174 PolarHBondContact O-N 3.43Å; S172-D175 WeakPolarHBondContact CB-OD2 3.21Å; S172-D175 PolarHBondContact N-OD2 2.93Å; S172-D175 WeakPolarHBondContact O-CB 3.49Å; S172-D175 PolarHBondContact O-N 3.18Å; S172-D175 PolarHBondContact OG-N 3.38Å; S172-D175 PolarHBondContact OG-OD2 2.69Å; S172-V176 PolarHBondContact O-N 3.05Å; S172-V176 VanDerWaalsContact O-N 3.12Å | ||
| 173 | A | 72.4 | Confident | 67.1 | Low | 85 Ų | 85 | 110.5 Ų | 110.5 | 70% | 0.702 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -54.5 | -29.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F177 | A173-F177 VanDerWaalsContact O-CB 3.31Å; A173-F177 WeakPolarHBondContact O-CB 3.49Å; A173-F177 PolarHBondContact O-N 2.95Å |
| 174 | S | 73.2 | Confident | 67.3 | Low | 74 Ų | 74 | 105.2 Ų | 105.2 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 173.6 | -165.7 | 0 | 0 | 0 | 0 | 112.7 | S172 V176 F177 E178 | S172-S174 PolarHBondContact O-N 3.43Å; S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 PolarHBondContact O-N 2.93Å; S174-F177 WeakPolarHBondContact O-CB 3.31Å; S174-F177 PolarHBondContact O-N 2.94Å; S174-E178 PolarHBondContact O-N 2.9Å |
| 175 | D | 79.4 | Confident | 67.8 | Low | 80 Ų | 80 | 103.4 Ų | 103.4 | 43% | 0.428 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 177.7 | -58.7 | -43.8 | 0 | 0 | 0 | 111.2 | R171 S172 F177 L179 | R171-D175 HydrophobicContact CB-CB 4.18Å; R171-D175 HydrophobicContact CG-CB 4.48Å; S172-D175 WeakPolarHBondContact CB-OD2 3.21Å; S172-D175 PolarHBondContact N-OD2 2.93Å; S172-D175 WeakPolarHBondContact O-CB 3.49Å; S172-D175 PolarHBondContact O-N 3.18Å; S172-D175 PolarHBondContact OG-N 3.38Å; S172-D175 PolarHBondContact OG-OD2 2.69Å; D175-F177 VanDerWaalsContact C-N 3.34Å; D175-L179 VanDerWaalsContact O-CB 3.29Å; D175-L179 WeakPolarHBondContact O-CB 3.47Å; D175-L179 PolarHBondContact O-N 3.47Å |
| 176 | V | 78.2 | Confident | 68.4 | Low | 58 Ų | 58 | 104.7 Ų | 104.7 | 35% | 0.352 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 175 | -179.4 | 0 | 0 | 0 | 0 | 110 | R171 S172 S174 L179 L180 | R171-V176 HydrophobicContact CB-CG2 3.88Å; S172-V176 PolarHBondContact O-N 3.05Å; S172-V176 VanDerWaalsContact O-N 3.12Å; S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 PolarHBondContact O-N 2.93Å; V176-L179 PolarHBondContact O-N 3.4Å; V176-L180 HydrophobicContact CG1-CD1 3.84Å; V176-L180 HydrophobicContact CG1-CG 4.39Å; V176-L180 WeakPolarHBondContact O-CB 3.39Å; V176-L180 VanDerWaalsContact O-CG 3.26Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 3.02Å |
| 177 | F | 70.8 | Confident | 69.2 | Low | 88 Ų | 88 | 100 Ų | 100 | 39% | 0.386 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 176.6 | -176.7 | -95.2 | 0 | 0 | 0 | 112.4 | A173 S174 D175 L179 L180 T181 F194 | A173-F177 VanDerWaalsContact O-CB 3.31Å; A173-F177 WeakPolarHBondContact O-CB 3.49Å; A173-F177 PolarHBondContact O-N 2.95Å; S174-F177 WeakPolarHBondContact O-CB 3.31Å; S174-F177 PolarHBondContact O-N 2.94Å; D175-F177 VanDerWaalsContact C-N 3.34Å; F177-L179 VanDerWaalsContact C-N 3.32Å; F177-L179 PolarHBondContact O-N 3.49Å; F177-L180 PolarHBondContact O-N 3.21Å; F177-T181 WeakPolarHBondContact CE1-OG1 3.29Å; F177-T181 WeakPolarHBondContact O-CB 3.33Å; F177-T181 PolarHBondContact O-N 3.39Å; F177-T181 PolarHBondContact O-OG1 3.35Å; F177-F194 AromaticContact CD2-CD1 3.97Å; F177-F194 HydrophobicContact CD2-CD1 3.97Å; F177-F194 AromaticContact CD2-CD2 3.6Å; F177-F194 HydrophobicContact CD2-CD2 3.6Å; F177-F194 AromaticContact CD2-CE1 3.85Å; F177-F194 HydrophobicContact CD2-CE1 3.85Å; F177-F194 AromaticContact CD2-CE2 3.47Å; F177-F194 HydrophobicContact CD2-CE2 3.47Å; F177-F194 VanDerWaalsContact CD2-CE2 3.47Å; F177-F194 AromaticContact CD2-CG 3.85Å; F177-F194 HydrophobicContact CD2-CG 3.85Å; F177-F194 AromaticContact CD2-CZ 3.61Å; F177-F194 HydrophobicContact CD2-CZ 3.61Å; F177-F194 HydrophobicContact CE2-CB 4.13Å; F177-F194 HydrophobicContact CE2-CD1 4.02Å; F177-F194 AromaticContact CE2-CD2 3.62Å; F177-F194 HydrophobicContact CE2-CD2 3.62Å; F177-F194 HydrophobicContact CE2-CE1 4.37Å; F177-F194 HydrophobicContact CE2-CE2 4.02Å; F177-F194 AromaticContact CE2-CG 3.63Å; F177-F194 HydrophobicContact CE2-CG 3.63Å; F177-F194 HydrophobicContact CE2-CZ 4.38Å |
| 178 | E | 78.3 | Confident | 69.4 | Low | 106 Ų | 106 | 97.7 Ų | 97.7 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.7 | -81.5 | -160.7 | -177 | 0 | 0 | 112 | S174 T181 K182 | S174-E178 PolarHBondContact O-N 2.9Å; E178-T181 PolarHBondContact O-N 3.32Å; E178-K182 WeakPolarHBondContact O-CB 3.46Å; E178-K182 WeakPolarHBondContact O-CG 3.33Å; E178-K182 PolarHBondContact O-N 3.32Å |
| 179 | L | 79.5 | Confident | 69.9 | Low | 61 Ų | 61 | 96.6 Ų | 96.6 | 32% | 0.319 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 177.7 | -169.1 | 70.7 | 0 | 0 | 0 | 111.5 | D175 V176 F177 K182 R183 L294 | D175-L179 VanDerWaalsContact O-CB 3.29Å; D175-L179 WeakPolarHBondContact O-CB 3.47Å; D175-L179 PolarHBondContact O-N 3.47Å; V176-L179 PolarHBondContact O-N 3.4Å; F177-L179 VanDerWaalsContact C-N 3.32Å; F177-L179 PolarHBondContact O-N 3.49Å; L179-K182 PolarHBondContact O-N 3.46Å; L179-R183 WeakPolarHBondContact O-CB 3.42Å; L179-R183 PolarHBondContact O-N 3.1Å; L179-R183 VanDerWaalsContact O-N 3.09Å; L179-L294 HydrophobicContact CD2-CD1 4.04Å |
| 180 | L | 71.2 | Confident | 70.2 | Confident | 12 Ų | 12 | 91.3 Ų | 91.3 | 6% | 0.063 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.2 | -76.8 | 167.4 | 0 | 0 | 0 | 111.3 | V176 F177 K182 R183 M184 L187 F194 F291 L294 | V176-L180 HydrophobicContact CG1-CD1 3.84Å; V176-L180 HydrophobicContact CG1-CG 4.39Å; V176-L180 WeakPolarHBondContact O-CB 3.39Å; V176-L180 VanDerWaalsContact O-CG 3.26Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 3.02Å; F177-L180 PolarHBondContact O-N 3.21Å; L180-K182 PolarHBondContact O-N 2.98Å; L180-R183 PolarHBondContact O-N 3.12Å; L180-M184 HydrophobicContact CB-CE 4.3Å; L180-M184 HydrophobicContact CD2-CE 3.49Å; L180-M184 VanDerWaalsContact CD2-CE 3.49Å; L180-M184 PolarHBondContact O-N 3.29Å; L180-L187 HydrophobicContact CB-CD1 4.14Å; L180-F194 HydrophobicContact CD1-CE2 3.79Å; L180-F291 HydrophobicContact CD2-CE2 4.08Å; L180-F291 HydrophobicContact CD2-CZ 4.28Å; L180-L294 HydrophobicContact CD2-CD2 3.48Å; L180-L294 VanDerWaalsContact CD2-CD2 3.48Å; L180-L294 HydrophobicContact CG-CD2 4.32Å |
| 181 | T | 71.8 | Confident | 70.9 | Confident | 53 Ų | 53 | 95.2 Ų | 95.2 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 178.3 | -53 | 0 | 0 | 0 | 0 | 111.5 | F177 E178 R183 M184 P185 | F177-T181 WeakPolarHBondContact CE1-OG1 3.29Å; F177-T181 WeakPolarHBondContact O-CB 3.33Å; F177-T181 PolarHBondContact O-N 3.39Å; F177-T181 PolarHBondContact O-OG1 3.35Å; E178-T181 PolarHBondContact O-N 3.32Å; T181-R183 VanDerWaalsContact C-N 3.32Å; T181-R183 PolarHBondContact O-N 2.92Å; T181-M184 CarbonylContact O-C 3.32Å; T181-P185 WeakPolarHBondContact O-CA 3.48Å |
| 182 | K | 78.3 | Confident | 71.2 | Confident | 157 Ų | 157 | 93.2 Ų | 93.2 | 68% | 0.683 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.8 | -37.1 | 173.3 | -80.4 | 172.8 | 179.3 | 161.8 | 0 | 112.5 | E178 L179 L180 | E178-K182 WeakPolarHBondContact O-CB 3.46Å; E178-K182 WeakPolarHBondContact O-CG 3.33Å; E178-K182 PolarHBondContact O-N 3.32Å; L179-K182 PolarHBondContact O-N 3.46Å; L180-K182 PolarHBondContact O-N 2.98Å |
| 183 | R | 75.4 | Confident | 71.1 | Confident | 104 Ų | 104 | 96.2 Ų | 96.2 | 39% | 0.392 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -85.7 | -26.9 | -175.1 | -151.5 | 172.4 | -173.9 | 140.1 | 2.5 | 112.9 | L179 L180 T181 A290 | L179-R183 WeakPolarHBondContact O-CB 3.42Å; L179-R183 PolarHBondContact O-N 3.1Å; L179-R183 VanDerWaalsContact O-N 3.09Å; L180-R183 PolarHBondContact O-N 3.12Å; T181-R183 VanDerWaalsContact C-N 3.32Å; T181-R183 PolarHBondContact O-N 2.92Å; R183-A290 HydrophobicContact CG-CB 4.34Å; R183-A290 PolarHBondContact NE-O 2.87Å |
| 184 | M | 66 | Low | 71.3 | Confident | 30 Ų | 30 | 94.6 Ų | 94.6 | 15% | 0.148 | 46% | 0.459 | C | S | . | . | trans | -129.7 | 81.6 | 175 | -65 | 174.5 | -76.8 | 0 | 0 | 108.9 | L180 T181 N186 L187 F291 | L180-M184 HydrophobicContact CB-CE 4.3Å; L180-M184 HydrophobicContact CD2-CE 3.49Å; L180-M184 VanDerWaalsContact CD2-CE 3.49Å; L180-M184 PolarHBondContact O-N 3.29Å; T181-M184 CarbonylContact O-C 3.32Å; M184-N186 PolarHBondContact O-N 2.66Å; M184-L187 HydrophobicContact CB-CD1 3.87Å; M184-L187 HydrophobicContact CB-CG 3.98Å; M184-L187 HydrophobicContact CE-CD1 3.43Å; M184-L187 VanDerWaalsContact CE-CD1 3.43Å; M184-L187 HydrophobicContact CE-CG 4.24Å; M184-L187 WeakPolarHBondContact O-CB 3.21Å; M184-L187 PolarHBondContact O-N 3.13Å; M184-L187 HydrophobicContact SD-CD1 4.21Å; M184-L187 HydrophobicContact SD-CG 4.42Å; M184-F291 HydrophobicContact CE-CD2 3.59Å; M184-F291 HydrophobicContact CE-CE2 3.35Å; M184-F291 HydrophobicContact SD-CD2 3.64Å; M184-F291 HydrophobicContact SD-CE2 3.91Å | ||
| 185 | P | 67.3 | Low | 71.6 | Confident | 103 Ų | 103 | 99.2 Ų | 99.2 | 67% | 0.669 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.9 | 179.5 | 22.8 | -32.2 | 0 | 0 | 0 | 113.2 | T181 | T181-P185 WeakPolarHBondContact O-CA 3.48Š|
| 186 | N | 64.9 | Low | 71.8 | Confident | 141 Ų | 141 | 99.1 Ų | 99.1 | 75% | 0.754 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.1 | 176.3 | -59.8 | -22.9 | 0 | 0 | 0 | 113.8 | M184 C188 | M184-N186 PolarHBondContact O-N 2.66Å; N186-C188 PolarHBondContact O-N 3.48Å; N186-C188 PolarHBondContact O-SG 2.87Å; N186-C188 VanDerWaalsContact O-SG 3.41Å |
| 187 | L | 62.9 | Low | 72.1 | Confident | 33 Ų | 33 | 97.6 Ų | 97.6 | 17% | 0.173 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -62.1 | 92.6 | 164.5 | -92.2 | 166.4 | 0 | 0 | 0 | 107 | L180 M184 K189 L197 | L180-L187 HydrophobicContact CB-CD1 4.14Å; M184-L187 HydrophobicContact CB-CD1 3.87Å; M184-L187 HydrophobicContact CB-CG 3.98Å; M184-L187 HydrophobicContact CE-CD1 3.43Å; M184-L187 VanDerWaalsContact CE-CD1 3.43Å; M184-L187 HydrophobicContact CE-CG 4.24Å; M184-L187 WeakPolarHBondContact O-CB 3.21Å; M184-L187 PolarHBondContact O-N 3.13Å; M184-L187 HydrophobicContact SD-CD1 4.21Å; M184-L187 HydrophobicContact SD-CG 4.42Å; L187-K189 PolarHBondContact O-N 3.17Å; L187-L197 HydrophobicContact CD2-CD1 4.27Å |
| 188 | C | 56.1 | Low | 72.8 | Confident | 52 Ų | 52 | 96.5 Ų | 96.5 | 35% | 0.351 | 46% | 0.457 | S | S | . | . | trans | -52.9 | 144.3 | -174.5 | -55.9 | 0 | 0 | 0 | 0 | 109.5 | N186 E190 R193 | N186-C188 PolarHBondContact O-N 3.48Å; N186-C188 PolarHBondContact O-SG 2.87Å; N186-C188 VanDerWaalsContact O-SG 3.41Å; C188-E190 HydrophobicContact CB-CB 4.43Å; C188-E190 PolarHBondContact O-N 2.77Å; C188-R193 PolarHBondContact SG-NH1 3.43Å | ||
| 189 | K | 63.1 | Low | 73.1 | Confident | 221 Ų | 221 | 95.7 Ų | 95.7 | 96% | 0.961 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -53.3 | -7.7 | 176.2 | -61.4 | 175.6 | -179.4 | 177 | 0 | 114 | L187 R191 | L187-K189 PolarHBondContact O-N 3.17Å; K189-R191 PolarHBondContact O-N 3.18Å |
| 190 | E | 65 | Low | 73.3 | Confident | 104 Ų | 104 | 97.2 Ų | 97.2 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | trans | -63.4 | 101 | 169.6 | -76.2 | 173.4 | 158.7 | 0 | 0 | 110.2 | C188 N192 R193 | C188-E190 HydrophobicContact CB-CB 4.43Å; C188-E190 PolarHBondContact O-N 2.77Å; E190-N192 PolarHBondContact O-N 2.83Å; E190-R193 HydrophobicContact CB-CG 4.16Å; E190-R193 PolarHBondContact O-N 3.41Å; E190-R193 IonicContact OE2-CZ 3.59Å; E190-R193 IonicContact OE2-NE 2.88Å; E190-R193 PolarHBondContact OE2-NE 3.43Å; E190-R193 IonicContact OE2-NH2 3.45Å; E190-R193 PolarHBondContact OE2-NH2 2.67Å | ||
| 191 | R | 67.9 | Low | 74.2 | Confident | 223 Ų | 223 | 99.5 Ų | 99.5 | 84% | 0.842 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -42.7 | -28.4 | 169.3 | -171.5 | 176.3 | 177.4 | 136.2 | -0.8 | 113.4 | K189 R195 | K189-R191 PolarHBondContact O-N 3.18Å; R191-R195 WeakPolarHBondContact O-CB 3.44Å; R191-R195 PolarHBondContact O-N 3.32Å; R191-R195 VanDerWaalsContact O-N 3.15Å |
| 192 | N | 75.8 | Confident | 74.9 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | 176.3 | -65.7 | -22.3 | 0 | 0 | 0 | 112.9 | E190 F194 R195 T196 | E190-N192 PolarHBondContact O-N 2.83Å; N192-F194 PolarHBondContact O-N 3.3Å; N192-R195 WeakPolarHBondContact O-CB 3.4Å; N192-R195 PolarHBondContact O-N 3.47Å; N192-T196 PolarHBondContact O-N 3.3Å; N192-T196 PolarHBondContact O-OG1 2.96Å |
| 193 | R | 75.7 | Confident | 75.3 | Confident | 118 Ų | 118 | 94.5 Ų | 94.5 | 45% | 0.445 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | -178.6 | -62.1 | -168.3 | -168.7 | -147.6 | -9.7 | 112.1 | C188 E190 R195 T196 L197 | C188-R193 PolarHBondContact SG-NH1 3.43Å; E190-R193 HydrophobicContact CB-CG 4.16Å; E190-R193 PolarHBondContact O-N 3.41Å; E190-R193 IonicContact OE2-CZ 3.59Å; E190-R193 IonicContact OE2-NE 2.88Å; E190-R193 PolarHBondContact OE2-NE 3.43Å; E190-R193 IonicContact OE2-NH2 3.45Å; E190-R193 PolarHBondContact OE2-NH2 2.67Å; R193-R195 VanDerWaalsContact C-N 3.33Å; R193-T196 PolarHBondContact O-N 2.95Å; R193-L197 WeakPolarHBondContact O-CB 3.19Å; R193-L197 PolarHBondContact O-N 2.83Å |
| 194 | F | 77.4 | Confident | 76.1 | Confident | 51 Ų | 51 | 93.2 Ų | 93.2 | 22% | 0.224 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.6 | -179.5 | -102.3 | 0 | 0 | 0 | 111.2 | F177 L180 N192 L197 V198 | F177-F194 AromaticContact CD2-CD1 3.97Å; F177-F194 HydrophobicContact CD2-CD1 3.97Å; F177-F194 AromaticContact CD2-CD2 3.6Å; F177-F194 HydrophobicContact CD2-CD2 3.6Å; F177-F194 AromaticContact CD2-CE1 3.85Å; F177-F194 HydrophobicContact CD2-CE1 3.85Å; F177-F194 AromaticContact CD2-CE2 3.47Å; F177-F194 HydrophobicContact CD2-CE2 3.47Å; F177-F194 VanDerWaalsContact CD2-CE2 3.47Å; F177-F194 AromaticContact CD2-CG 3.85Å; F177-F194 HydrophobicContact CD2-CG 3.85Å; F177-F194 AromaticContact CD2-CZ 3.61Å; F177-F194 HydrophobicContact CD2-CZ 3.61Å; F177-F194 HydrophobicContact CE2-CB 4.13Å; F177-F194 HydrophobicContact CE2-CD1 4.02Å; F177-F194 AromaticContact CE2-CD2 3.62Å; F177-F194 HydrophobicContact CE2-CD2 3.62Å; F177-F194 HydrophobicContact CE2-CE1 4.37Å; F177-F194 HydrophobicContact CE2-CE2 4.02Å; F177-F194 AromaticContact CE2-CG 3.63Å; F177-F194 HydrophobicContact CE2-CG 3.63Å; F177-F194 HydrophobicContact CE2-CZ 4.38Å; L180-F194 HydrophobicContact CD1-CE2 3.79Å; N192-F194 PolarHBondContact O-N 3.3Å; F194-L197 PolarHBondContact O-N 2.93Å; F194-V198 HydrophobicContact CD1-CG2 4.06Å; F194-V198 HydrophobicContact CD2-CG2 4.48Å; F194-V198 HydrophobicContact CE1-CG2 3.53Å; F194-V198 HydrophobicContact CE2-CG2 4Å; F194-V198 HydrophobicContact CZ-CG2 3.49Å; F194-V198 VanDerWaalsContact CZ-CG2 3.49Å; F194-V198 WeakPolarHBondContact O-CG2 3.46Å; F194-V198 PolarHBondContact O-N 3.49Å |
| 195 | R | 79.6 | Confident | 77.3 | Confident | 172 Ų | 172 | 95.5 Ų | 95.5 | 65% | 0.649 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -47.9 | 175.4 | -170.9 | 177 | -176.9 | 171 | 2 | 111.4 | R191 N192 R193 L197 V198 D199 | R191-R195 WeakPolarHBondContact O-CB 3.44Å; R191-R195 PolarHBondContact O-N 3.32Å; R191-R195 VanDerWaalsContact O-N 3.15Å; N192-R195 WeakPolarHBondContact O-CB 3.4Å; N192-R195 PolarHBondContact O-N 3.47Å; R193-R195 VanDerWaalsContact C-N 3.33Å; R195-L197 VanDerWaalsContact C-N 3.28Å; R195-L197 PolarHBondContact O-N 2.83Å; R195-V198 PolarHBondContact O-N 3.39Å; R195-D199 WeakPolarHBondContact O-CB 3.44Å; R195-D199 PolarHBondContact O-N 3.01Å |
| 196 | T | 82.3 | Confident | 78.5 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.4 | -41.5 | 175.1 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | N192 R193 D199 M200 | N192-T196 PolarHBondContact O-N 3.3Å; N192-T196 PolarHBondContact O-OG1 2.96Å; R193-T196 PolarHBondContact O-N 2.95Å; T196-D199 PolarHBondContact O-N 3.17Å; T196-M200 HydrophobicContact CG2-CE 4.21Å; T196-M200 HydrophobicContact CG2-SD 4.5Å; T196-M200 WeakPolarHBondContact O-CB 3.47Å; T196-M200 VanDerWaalsContact O-CG 3.26Å; T196-M200 WeakPolarHBondContact O-CG 3.42Å; T196-M200 PolarHBondContact O-N 3.31Å |
| 197 | L | 84.2 | Confident | 79.9 | Confident | 27 Ų | 27 | 94.5 Ų | 94.5 | 14% | 0.141 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 178.1 | -178.1 | 138 | 0 | 0 | 0 | 112.6 | L187 R193 F194 R195 M200 V201 F291 | L187-L197 HydrophobicContact CD2-CD1 4.27Å; R193-L197 WeakPolarHBondContact O-CB 3.19Å; R193-L197 PolarHBondContact O-N 2.83Å; F194-L197 PolarHBondContact O-N 2.93Å; R195-L197 VanDerWaalsContact C-N 3.28Å; R195-L197 PolarHBondContact O-N 2.83Å; L197-M200 HydrophobicContact CB-CE 4.34Å; L197-M200 PolarHBondContact O-N 2.89Å; L197-V201 VanDerWaalsContact O-CG2 3.29Å; L197-V201 WeakPolarHBondContact O-CG2 3.36Å; L197-V201 PolarHBondContact O-N 2.73Å; L197-F291 HydrophobicContact CD1-CE2 3.61Å; L197-F291 HydrophobicContact CD1-CZ 4.05Å; L197-F291 HydrophobicContact CD2-CE2 3.86Å; L197-F291 HydrophobicContact CD2-CZ 3.6Å; L197-F291 HydrophobicContact CG-CE2 4.13Å; L197-F291 HydrophobicContact CG-CZ 4.06Å |
| 198 | V | 86.8 | Confident | 81.3 | Confident | 64 Ų | 64 | 98.4 Ų | 98.4 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 172.9 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | F194 R195 M200 V201 A202 | F194-V198 HydrophobicContact CD1-CG2 4.06Å; F194-V198 HydrophobicContact CD2-CG2 4.48Å; F194-V198 HydrophobicContact CE1-CG2 3.53Å; F194-V198 HydrophobicContact CE2-CG2 4Å; F194-V198 HydrophobicContact CZ-CG2 3.49Å; F194-V198 VanDerWaalsContact CZ-CG2 3.49Å; F194-V198 WeakPolarHBondContact O-CG2 3.46Å; F194-V198 PolarHBondContact O-N 3.49Å; R195-V198 PolarHBondContact O-N 3.39Å; V198-M200 VanDerWaalsContact C-N 3.35Å; V198-M200 PolarHBondContact O-N 2.99Å; V198-V201 PolarHBondContact O-N 3.12Å; V198-A202 WeakPolarHBondContact O-CB 3.26Å; V198-A202 PolarHBondContact O-N 2.78Å |
| 199 | D | 83.3 | Confident | 83.1 | Confident | 89 Ų | 89 | 99.8 Ų | 99.8 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 178.2 | -66.9 | -18.8 | 0 | 0 | 0 | 110.8 | R195 T196 A202 S203 | R195-D199 WeakPolarHBondContact O-CB 3.44Å; R195-D199 PolarHBondContact O-N 3.01Å; T196-D199 PolarHBondContact O-N 3.17Å; D199-A202 PolarHBondContact O-N 2.99Å; D199-S203 WeakPolarHBondContact O-CB 3.31Å; D199-S203 PolarHBondContact O-N 2.74Å |
| 200 | M | 83.4 | Confident | 84.7 | Confident | 93 Ų | 93 | 94 Ų | 94 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 173.5 | -75.8 | -172.5 | -59.5 | 0 | 0 | 111.7 | T196 L197 V198 A202 S203 V204 | T196-M200 HydrophobicContact CG2-CE 4.21Å; T196-M200 HydrophobicContact CG2-SD 4.5Å; T196-M200 WeakPolarHBondContact O-CB 3.47Å; T196-M200 VanDerWaalsContact O-CG 3.26Å; T196-M200 WeakPolarHBondContact O-CG 3.42Å; T196-M200 PolarHBondContact O-N 3.31Å; L197-M200 HydrophobicContact CB-CE 4.34Å; L197-M200 PolarHBondContact O-N 2.89Å; V198-M200 VanDerWaalsContact C-N 3.35Å; V198-M200 PolarHBondContact O-N 2.99Å; M200-A202 VanDerWaalsContact C-N 3.32Å; M200-A202 PolarHBondContact O-N 3.42Å; M200-S203 PolarHBondContact O-N 3.09Å; M200-S203 PolarHBondContact O-OG 3.32Å; M200-V204 WeakPolarHBondContact O-CG2 3.24Å; M200-V204 PolarHBondContact O-N 3.5Å |
| 201 | V | 90.2 | Very high | 86.2 | Confident | 60 Ų | 60 | 94.5 Ų | 94.5 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 111 | L197 V198 S203 V204 V205 F291 | L197-V201 VanDerWaalsContact O-CG2 3.29Å; L197-V201 WeakPolarHBondContact O-CG2 3.36Å; L197-V201 PolarHBondContact O-N 2.73Å; V198-V201 PolarHBondContact O-N 3.12Å; V201-S203 VanDerWaalsContact C-N 3.34Å; V201-S203 PolarHBondContact O-N 3.35Å; V201-V204 PolarHBondContact O-N 3.06Å; V201-V205 WeakPolarHBondContact O-CG2 3.27Å; V201-V205 PolarHBondContact O-N 2.91Å; V201-F291 HydrophobicContact CG2-CE1 3.78Å; V201-F291 HydrophobicContact CG2-CZ 4Å |
| 202 | A | 87.8 | Confident | 87.5 | Confident | 54 Ų | 54 | 88.3 Ų | 88.3 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V198 D199 M200 V204 V205 E206 | V198-A202 WeakPolarHBondContact O-CB 3.26Å; V198-A202 PolarHBondContact O-N 2.78Å; D199-A202 PolarHBondContact O-N 2.99Å; M200-A202 VanDerWaalsContact C-N 3.32Å; M200-A202 PolarHBondContact O-N 3.42Å; A202-V204 PolarHBondContact O-N 3.3Å; A202-V205 PolarHBondContact O-N 2.86Å; A202-E206 PolarHBondContact O-N 2.9Å |
| 203 | S | 87.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.4 | 75.1 | 0 | 0 | 0 | 0 | 112.9 | D199 M200 V201 E206 L207 | D199-S203 WeakPolarHBondContact O-CB 3.31Å; D199-S203 PolarHBondContact O-N 2.74Å; M200-S203 PolarHBondContact O-N 3.09Å; M200-S203 PolarHBondContact O-OG 3.32Å; V201-S203 VanDerWaalsContact C-N 3.34Å; V201-S203 PolarHBondContact O-N 3.35Å; S203-E206 PolarHBondContact O-N 3.23Å; S203-L207 WeakPolarHBondContact O-CB 3.5Å; S203-L207 VanDerWaalsContact O-CG 3.29Å; S203-L207 WeakPolarHBondContact O-CG 3.37Å; S203-L207 PolarHBondContact O-N 3.24Å |
| 204 | V | 90.6 | Very high | 89.5 | Confident | 76 Ų | 76 | 88.1 Ų | 88.1 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | M200 V201 A202 L207 E208 | M200-V204 WeakPolarHBondContact O-CG2 3.24Å; M200-V204 PolarHBondContact O-N 3.5Å; V201-V204 PolarHBondContact O-N 3.06Å; A202-V204 PolarHBondContact O-N 3.3Å; V204-L207 PolarHBondContact O-N 2.93Å; V204-E208 WeakPolarHBondContact O-CG 3.44Å; V204-E208 PolarHBondContact O-N 2.7Å |
| 205 | V | 91.2 | Very high | 90.5 | Very high | 78 Ų | 78 | 91.3 Ų | 91.3 | 47% | 0.473 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | V201 A202 E208 T209 | V201-V205 WeakPolarHBondContact O-CG2 3.27Å; V201-V205 PolarHBondContact O-N 2.91Å; A202-V205 PolarHBondContact O-N 2.86Å; V205-E208 PolarHBondContact O-N 3.33Å; V205-T209 WeakPolarHBondContact O-CG2 3.27Å; V205-T209 PolarHBondContact O-N 2.88Å |
| 206 | E | 94.1 | Very high | 91.2 | Very high | 116 Ų | 116 | 88.2 Ų | 88.2 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 176 | -173.3 | 174.1 | -177 | 0 | 0 | 111.6 | A202 S203 E208 T209 Q210 | A202-E206 PolarHBondContact O-N 2.9Å; S203-E206 PolarHBondContact O-N 3.23Å; E206-E208 VanDerWaalsContact C-N 3.33Å; E206-E208 PolarHBondContact O-N 3.02Å; E206-T209 PolarHBondContact O-N 3.24Å; E206-T209 VanDerWaalsContact O-N 3.1Å; E206-T209 PolarHBondContact O-OG1 3.45Å; E206-Q210 WeakPolarHBondContact O-CG 3.39Å; E206-Q210 PolarHBondContact O-N 2.89Å |
| 207 | L | 92.9 | Very high | 91.9 | Very high | 107 Ų | 107 | 89.7 Ų | 89.7 | 56% | 0.56 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 175.8 | -73.5 | 170 | 0 | 0 | 0 | 112.5 | S203 V204 T209 Q210 L211 | S203-L207 WeakPolarHBondContact O-CB 3.5Å; S203-L207 VanDerWaalsContact O-CG 3.29Å; S203-L207 WeakPolarHBondContact O-CG 3.37Å; S203-L207 PolarHBondContact O-N 3.24Å; V204-L207 PolarHBondContact O-N 2.93Å; L207-T209 VanDerWaalsContact C-N 3.32Å; L207-T209 PolarHBondContact O-N 2.69Å; L207-Q210 PolarHBondContact O-N 3.15Å; L207-L211 WeakPolarHBondContact O-CB 3.48Å; L207-L211 PolarHBondContact O-N 3.39Å |
| 208 | E | 92.7 | Very high | 92.4 | Very high | 116 Ų | 116 | 92.5 Ų | 92.5 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 174.3 | -76.1 | -178.8 | 164.3 | 0 | 0 | 111.9 | V204 V205 E206 L211 N212 | V204-E208 WeakPolarHBondContact O-CG 3.44Å; V204-E208 PolarHBondContact O-N 2.7Å; V205-E208 PolarHBondContact O-N 3.33Å; E206-E208 VanDerWaalsContact C-N 3.33Å; E206-E208 PolarHBondContact O-N 3.02Å; E208-L211 PolarHBondContact O-N 2.91Å; E208-N212 WeakPolarHBondContact O-CB 3.4Å; E208-N212 PolarHBondContact O-N 3.23Å; E208-N212 PolarHBondContact O-ND2 2.97Å |
| 209 | T | 94.4 | Very high | 92.8 | Very high | 81 Ų | 81 | 94.6 Ų | 94.6 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 175.8 | 62.3 | 0 | 0 | 0 | 0 | 112.2 | V205 E206 L207 L211 N212 Q213 | V205-T209 WeakPolarHBondContact O-CG2 3.27Å; V205-T209 PolarHBondContact O-N 2.88Å; E206-T209 PolarHBondContact O-N 3.24Å; E206-T209 VanDerWaalsContact O-N 3.1Å; E206-T209 PolarHBondContact O-OG1 3.45Å; L207-T209 VanDerWaalsContact C-N 3.32Å; L207-T209 PolarHBondContact O-N 2.69Å; T209-L211 PolarHBondContact O-N 3.22Å; T209-N212 PolarHBondContact O-N 3.47Å; T209-Q213 PolarHBondContact O-N 3.23Å |
| 210 | Q | 96.1 | Very high | 93.5 | Very high | 99 Ų | 99 | 97.7 Ų | 97.7 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.1 | -68.9 | 177.8 | -0.4 | 0 | 0 | 111.5 | E206 L207 N212 Q213 L214 | E206-Q210 WeakPolarHBondContact O-CG 3.39Å; E206-Q210 PolarHBondContact O-N 2.89Å; L207-Q210 PolarHBondContact O-N 3.15Å; Q210-N212 PolarHBondContact O-N 2.93Å; Q210-Q213 PolarHBondContact O-N 3.41Å; Q210-L214 WeakPolarHBondContact O-CB 3.47Å; Q210-L214 PolarHBondContact O-N 3.18Å |
| 211 | L | 96.3 | Very high | 94 | Very high | 115 Ų | 115 | 97.1 Ų | 97.1 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 177.5 | -171.6 | 145.5 | 0 | 0 | 0 | 111.8 | L207 E208 T209 L214 K215 | L207-L211 WeakPolarHBondContact O-CB 3.48Å; L207-L211 PolarHBondContact O-N 3.39Å; E208-L211 PolarHBondContact O-N 2.91Å; T209-L211 PolarHBondContact O-N 3.22Å; L211-L214 PolarHBondContact O-N 3.39Å; L211-K215 VanDerWaalsContact O-CB 3.31Å; L211-K215 WeakPolarHBondContact O-CB 3.29Å; L211-K215 PolarHBondContact O-N 2.88Å |
| 212 | N | 96.2 | Very high | 94.2 | Very high | 93 Ų | 93 | 98.4 Ų | 98.4 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 174.9 | -76.5 | -43.7 | 0 | 0 | 0 | 112 | E208 T209 Q210 K215 E216 | E208-N212 WeakPolarHBondContact O-CB 3.4Å; E208-N212 PolarHBondContact O-N 3.23Å; E208-N212 PolarHBondContact O-ND2 2.97Å; T209-N212 PolarHBondContact O-N 3.47Å; Q210-N212 PolarHBondContact O-N 2.93Å; N212-K215 PolarHBondContact O-N 2.91Å; N212-E216 PolarHBondContact O-N 3.23Å |
| 213 | Q | 96.4 | Very high | 94.5 | Very high | 124 Ų | 124 | 97.4 Ų | 97.4 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -49.1 | 175.1 | -175.8 | 174.3 | 8 | 0 | 0 | 111.4 | T209 Q210 K215 E216 E217 | T209-Q213 PolarHBondContact O-N 3.23Å; Q210-Q213 PolarHBondContact O-N 3.41Å; Q213-K215 VanDerWaalsContact C-N 3.25Å; Q213-K215 PolarHBondContact O-N 3.32Å; Q213-E216 PolarHBondContact O-N 2.95Å; Q213-E216 VanDerWaalsContact O-N 3.12Å; Q213-E217 PolarHBondContact O-N 3.42Å |
| 214 | L | 96.7 | Very high | 94.7 | Very high | 107 Ų | 107 | 100.8 Ų | 100.8 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.6 | -37.1 | 178.2 | -172 | 68.7 | 0 | 0 | 0 | 111.8 | Q210 L211 E217 T218 | Q210-L214 WeakPolarHBondContact O-CB 3.47Å; Q210-L214 PolarHBondContact O-N 3.18Å; L211-L214 PolarHBondContact O-N 3.39Å; L214-E217 PolarHBondContact O-N 3.32Å; L214-T218 WeakPolarHBondContact O-CB 3.31Å; L214-T218 PolarHBondContact O-N 3.06Å; L214-T218 PolarHBondContact O-OG1 3.23Å |
| 215 | K | 96.9 | Very high | 94.7 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.6 | -173.8 | 176.7 | -179.9 | 175.7 | 0 | 112.1 | L211 N212 Q213 T218 K219 | L211-K215 VanDerWaalsContact O-CB 3.31Å; L211-K215 WeakPolarHBondContact O-CB 3.29Å; L211-K215 PolarHBondContact O-N 2.88Å; N212-K215 PolarHBondContact O-N 2.91Å; Q213-K215 VanDerWaalsContact C-N 3.25Å; Q213-K215 PolarHBondContact O-N 3.32Å; K215-T218 PolarHBondContact O-N 2.71Å; K215-K219 WeakPolarHBondContact O-CG 3.46Å; K215-K219 PolarHBondContact O-N 3.33Å |
| 216 | E | 96.1 | Very high | 94.5 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 175 | -71.7 | -55.2 | 129.3 | 0 | 0 | 112.2 | N212 Q213 T218 K219 K220 | N212-E216 PolarHBondContact O-N 3.23Å; Q213-E216 PolarHBondContact O-N 2.95Å; Q213-E216 VanDerWaalsContact O-N 3.12Å; E216-T218 VanDerWaalsContact C-N 3.35Å; E216-T218 PolarHBondContact O-N 3.12Å; E216-K219 WeakPolarHBondContact O-CB 3.47Å; E216-K219 PolarHBondContact O-N 3.39Å; E216-K219 IonicContact OE1-NZ 3.45Å; E216-K219 PolarHBondContact OE1-NZ 3.12Å; E216-K220 WeakPolarHBondContact O-CB 3.5Å; E216-K220 PolarHBondContact O-N 3.48Å |
| 217 | E | 95.8 | Very high | 94.2 | Very high | 108 Ų | 108 | 99.8 Ų | 99.8 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 173.1 | -69.5 | -165.6 | 155.8 | 0 | 0 | 112 | Q213 L214 K219 K220 V221 | Q213-E217 PolarHBondContact O-N 3.42Å; L214-E217 PolarHBondContact O-N 3.32Å; E217-K219 VanDerWaalsContact C-N 3.35Å; E217-K219 PolarHBondContact O-N 3.23Å; E217-K220 WeakPolarHBondContact O-CB 3.34Å; E217-K220 PolarHBondContact O-N 2.92Å; E217-K220 VanDerWaalsContact O-N 3.13Å; E217-V221 WeakPolarHBondContact O-CG2 3.3Å; E217-V221 PolarHBondContact O-N 3.4Å |
| 218 | T | 95.2 | Very high | 93.7 | Very high | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.3 | -58 | 0 | 0 | 0 | 0 | 111.2 | L214 K215 E216 K220 V221 N222 | L214-T218 WeakPolarHBondContact O-CB 3.31Å; L214-T218 PolarHBondContact O-N 3.06Å; L214-T218 PolarHBondContact O-OG1 3.23Å; K215-T218 PolarHBondContact O-N 2.71Å; E216-T218 VanDerWaalsContact C-N 3.35Å; E216-T218 PolarHBondContact O-N 3.12Å; T218-K220 VanDerWaalsContact C-N 3.31Å; T218-K220 PolarHBondContact O-N 3.08Å; T218-V221 PolarHBondContact O-N 2.82Å; T218-N222 WeakPolarHBondContact O-CB 3.49Å; T218-N222 PolarHBondContact O-N 3.4Å |
| 219 | K | 96.1 | Very high | 92.9 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 47% | 0.47 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 173.2 | -75.2 | 174.2 | -175 | 172.9 | 0 | 111.7 | K215 E216 E217 N222 G223 | K215-K219 WeakPolarHBondContact O-CG 3.46Å; K215-K219 PolarHBondContact O-N 3.33Å; E216-K219 WeakPolarHBondContact O-CB 3.47Å; E216-K219 PolarHBondContact O-N 3.39Å; E216-K219 IonicContact OE1-NZ 3.45Å; E216-K219 PolarHBondContact OE1-NZ 3.12Å; E217-K219 VanDerWaalsContact C-N 3.35Å; E217-K219 PolarHBondContact O-N 3.23Å; K219-N222 PolarHBondContact O-N 3.33Å; K219-G223 PolarHBondContact O-N 3.49Å |
| 220 | K | 96 | Very high | 91.7 | Very high | 154 Ų | 154 | 104.7 Ų | 104.7 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 177.6 | -174.4 | -178.9 | 178 | -176.3 | 0 | 111.7 | E216 E217 T218 G223 M224 | E216-K220 WeakPolarHBondContact O-CB 3.5Å; E216-K220 PolarHBondContact O-N 3.48Å; E217-K220 WeakPolarHBondContact O-CB 3.34Å; E217-K220 PolarHBondContact O-N 2.92Å; E217-K220 VanDerWaalsContact O-N 3.13Å; T218-K220 VanDerWaalsContact C-N 3.31Å; T218-K220 PolarHBondContact O-N 3.08Å; K220-G223 PolarHBondContact O-N 3.33Å; K220-M224 WeakPolarHBondContact O-CG 3.37Å; K220-M224 PolarHBondContact O-N 3.01Å |
| 221 | V | 95.3 | Very high | 90.1 | Very high | 81 Ų | 81 | 108.8 Ų | 108.8 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.6 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | E217 T218 G223 M224 L225 | E217-V221 WeakPolarHBondContact O-CG2 3.3Å; E217-V221 PolarHBondContact O-N 3.4Å; T218-V221 PolarHBondContact O-N 2.82Å; V221-G223 VanDerWaalsContact C-N 3.31Å; V221-G223 PolarHBondContact O-N 3.2Å; V221-M224 WeakPolarHBondContact O-CB 3.44Å; V221-M224 PolarHBondContact O-N 2.93Å; V221-M224 VanDerWaalsContact O-N 3.17Å; V221-L225 HydrophobicContact CG1-CD1 4.19Å; V221-L225 HydrophobicContact CG1-CG 4.46Å; V221-L225 WeakPolarHBondContact O-CG 3.42Å; V221-L225 PolarHBondContact O-N 2.78Å |
| 222 | N | 93.8 | Very high | 88.4 | Confident | 88 Ų | 88 | 110.2 Ų | 110.2 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 176.2 | -168.7 | 42.4 | 0 | 0 | 0 | 111.7 | T218 K219 L225 N226 | T218-N222 WeakPolarHBondContact O-CB 3.49Å; T218-N222 PolarHBondContact O-N 3.4Å; K219-N222 PolarHBondContact O-N 3.33Å; N222-L225 PolarHBondContact O-N 3.12Å; N222-N226 WeakPolarHBondContact O-CB 3.48Å; N222-N226 VanDerWaalsContact O-CG 3.25Å; N222-N226 PolarHBondContact O-N 3.17Å; N222-N226 PolarHBondContact O-ND2 3.37Å |
| 223 | G | 93.5 | Very high | 86.7 | Confident | 32 Ų | 32 | 113 Ų | 113 | 33% | 0.33 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.6 | -46 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K219 K220 V221 L225 N226 S227 | K219-G223 PolarHBondContact O-N 3.49Å; K220-G223 PolarHBondContact O-N 3.33Å; V221-G223 VanDerWaalsContact C-N 3.31Å; V221-G223 PolarHBondContact O-N 3.2Å; G223-L225 PolarHBondContact O-N 3.21Å; G223-N226 PolarHBondContact O-N 3.45Å; G223-S227 PolarHBondContact O-N 3.45Å; G223-S227 PolarHBondContact O-OG 2.89Å; G223-S227 VanDerWaalsContact O-OG 3.09Å |
| 224 | M | 91.3 | Very high | 84.9 | Confident | 123 Ų | 123 | 113.2 Ų | 113.2 | 61% | 0.606 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.9 | -40.6 | 176.3 | -72.2 | 172.8 | 51.7 | 0 | 0 | 112.8 | K220 V221 S227 R228 | K220-M224 WeakPolarHBondContact O-CG 3.37Å; K220-M224 PolarHBondContact O-N 3.01Å; V221-M224 WeakPolarHBondContact O-CB 3.44Å; V221-M224 PolarHBondContact O-N 2.93Å; V221-M224 VanDerWaalsContact O-N 3.17Å; M224-S227 PolarHBondContact O-N 2.88Å; M224-R228 WeakPolarHBondContact O-CB 3.48Å; M224-R228 PolarHBondContact O-N 3.37Å |
| 225 | L | 90.9 | Very high | 83.1 | Confident | 95 Ų | 95 | 111.9 Ų | 111.9 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -42.7 | 176.6 | -70.5 | 174.9 | 0 | 0 | 0 | 111.4 | V221 N222 G223 S227 R228 T229 | V221-L225 HydrophobicContact CG1-CD1 4.19Å; V221-L225 HydrophobicContact CG1-CG 4.46Å; V221-L225 WeakPolarHBondContact O-CG 3.42Å; V221-L225 PolarHBondContact O-N 2.78Å; N222-L225 PolarHBondContact O-N 3.12Å; G223-L225 PolarHBondContact O-N 3.21Å; L225-S227 PolarHBondContact O-N 3.48Å; L225-R228 PolarHBondContact O-N 3.03Å; L225-R228 VanDerWaalsContact O-N 3.14Å; L225-T229 PolarHBondContact O-N 3.38Å; L225-T229 PolarHBondContact O-OG1 3.19Å |
| 226 | N | 87.6 | Confident | 81.3 | Confident | 93 Ų | 93 | 110.1 Ų | 110.1 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.7 | -35.8 | 175.5 | -71.5 | -24.6 | 0 | 0 | 0 | 112.6 | N222 G223 T229 Q230 | N222-N226 WeakPolarHBondContact O-CB 3.48Å; N222-N226 VanDerWaalsContact O-CG 3.25Å; N222-N226 PolarHBondContact O-N 3.17Å; N222-N226 PolarHBondContact O-ND2 3.37Å; G223-N226 PolarHBondContact O-N 3.45Å; N226-T229 PolarHBondContact O-OG1 3.39Å; N226-Q230 PolarHBondContact O-N 3.21Å |
| 227 | S | 87.8 | Confident | 79.6 | Confident | 61 Ų | 61 | 111.7 Ų | 111.7 | 43% | 0.427 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.5 | -37.3 | 171 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | G223 M224 L225 Q230 | G223-S227 PolarHBondContact O-N 3.45Å; G223-S227 PolarHBondContact O-OG 2.89Å; G223-S227 VanDerWaalsContact O-OG 3.09Å; M224-S227 PolarHBondContact O-N 2.88Å; L225-S227 PolarHBondContact O-N 3.48Å; S227-Q230 PolarHBondContact O-N 3.39Å |
| 228 | R | 81.4 | Confident | 77.9 | Confident | 196 Ų | 196 | 114.8 Ų | 114.8 | 74% | 0.74 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.8 | -37.2 | 180 | -170 | 173.8 | -176.6 | 172.3 | 0.9 | 112.7 | M224 L225 Q230 W231 | M224-R228 WeakPolarHBondContact O-CB 3.48Å; M224-R228 PolarHBondContact O-N 3.37Å; L225-R228 PolarHBondContact O-N 3.03Å; L225-R228 VanDerWaalsContact O-N 3.14Å; R228-Q230 VanDerWaalsContact C-N 3.31Å; R228-W231 PolarHBondContact O-N 2.78Å |
| 229 | T | 77 | Confident | 76.1 | Confident | 87 Ų | 87 | 120.5 Ų | 120.5 | 53% | 0.534 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.9 | -32.4 | 176.7 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | L225 N226 W231 H232 M233 | L225-T229 PolarHBondContact O-N 3.38Å; L225-T229 PolarHBondContact O-OG1 3.19Å; N226-T229 PolarHBondContact O-OG1 3.39Å; T229-W231 VanDerWaalsContact C-N 3.34Å; T229-W231 PolarHBondContact O-N 3.02Å; T229-H232 PolarHBondContact O-N 3.09Å; T229-M233 PolarHBondContact O-N 3.31Å |
| 230 | Q | 68.5 | Low | 74.2 | Confident | 124 Ų | 124 | 120.6 Ų | 120.6 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.7 | -38.2 | 176.4 | -169.2 | 178 | 5.4 | 0 | 0 | 112.7 | N226 S227 R228 H232 | N226-Q230 PolarHBondContact O-N 3.21Å; S227-Q230 PolarHBondContact O-N 3.39Å; R228-Q230 VanDerWaalsContact C-N 3.31Å; Q230-H232 VanDerWaalsContact C-N 3.34Å; Q230-H232 PolarHBondContact O-N 2.94Å |
| 231 | W | 63.4 | Low | 72.2 | Confident | 185 Ų | 185 | 119.6 Ų | 119.6 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.7 | -29.4 | 178.1 | -67 | 110.8 | 0 | 0 | 0 | 113.4 | R228 T229 S235 | R228-W231 PolarHBondContact O-N 2.78Å; T229-W231 VanDerWaalsContact C-N 3.34Å; T229-W231 PolarHBondContact O-N 3.02Å; W231-S235 PolarHBondContact O-OG 3.01Å |
| 232 | H | 60.8 | Low | 70.3 | Confident | 146 Ų | 146 | 122 Ų | 122 | 68% | 0.676 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.3 | -31.6 | -178.1 | -156.4 | -27.6 | 0 | 0 | 0 | 112.6 | T229 Q230 | T229-H232 PolarHBondContact O-N 3.09Å; Q230-H232 VanDerWaalsContact C-N 3.34Å; Q230-H232 PolarHBondContact O-N 2.94Å |
| 233 | M | 59.7 | Low | 68.4 | Low | 150 Ų | 150 | 124.4 Ų | 124.4 | 74% | 0.739 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.2 | -30.1 | -178.6 | -75.9 | -99.6 | 103.2 | 0 | 0 | 113.5 | T229 S235 | T229-M233 PolarHBondContact O-N 3.31Å; M233-S235 VanDerWaalsContact C-N 3.34Å; M233-S235 PolarHBondContact O-N 3.09Å |
| 234 | Q | 58.6 | Low | 66.5 | Low | 129 Ų | 129 | 132.3 Ų | 132.3 | 60% | 0.603 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.5 | -15.8 | -179.9 | -72.3 | -172.9 | -3.8 | 0 | 0 | 114.2 | S236 | Q234-S236 VanDerWaalsContact C-N 3.35Å; Q234-S236 PolarHBondContact O-N 3.41Å |
| 235 | S | 59 | Low | 64.7 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -81.4 | -11.9 | -175.4 | -61 | 0 | 0 | 0 | 0 | 113.9 | W231 M233 | W231-S235 PolarHBondContact O-OG 3.01Å; M233-S235 VanDerWaalsContact C-N 3.34Å; M233-S235 PolarHBondContact O-N 3.09Å |
| 236 | S | 60 | Low | 62.9 | Low | 81 Ų | 81 | 133.2 Ų | 133.2 | 57% | 0.566 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -84.3 | -12.6 | -175.3 | -64.7 | 0 | 0 | 0 | 0 | 114.7 | Q234 | Q234-S236 VanDerWaalsContact C-N 3.35Å; Q234-S236 PolarHBondContact O-N 3.41Å |
| 237 | D | 60.1 | Low | 61 | Low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -98.8 | 6.8 | -172.9 | -66.7 | -22.9 | 0 | 0 | 0 | 114.6 | ||
| 238 | Q | 59.9 | Low | 59.3 | Low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -99.3 | 5.9 | -179.9 | -80.3 | -168.8 | 13.8 | 0 | 0 | 116.1 | ||
| 239 | Y | 56.9 | Low | 57.6 | Low | 205 Ų | 205 | 129.9 Ų | 129.9 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -122.4 | 58.8 | 175.2 | -56 | -76 | 0 | 0 | 0 | 111.8 | ||
| 240 | S | 56.2 | Low | 56.3 | Low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -147.6 | 55.3 | 170.3 | -77.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 241 | T | 54.7 | Low | 55.7 | Low | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -156 | 131.7 | 161.1 | -3.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 242 | T | 54.5 | Low | 55.4 | Low | 130 Ų | 130 | 129.3 Ų | 129.3 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | 93.4 | 72 | 166.5 | -33.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 243 | T | 55.1 | Low | 55.1 | Low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | -147 | 82.3 | 139 | -38.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 244 | Q | 53.6 | Low | 54.4 | Low | 198 Ų | 198 | 127 Ų | 127 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | -75.2 | 132 | 155.9 | -85.9 | -177.2 | -13.1 | 0 | 0 | 108.1 | ||||
| 245 | G | 52.4 | Low | 54 | Low | 56 Ų | 56 | 125.7 Ų | 125.7 | 58% | 0.577 | 77% | 0.769 | S | S | * | * | trans | 106.8 | 126.4 | 149 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 246 | L | 54.7 | Low | 53.7 | Low | 181 Ų | 181 | 126.4 Ų | 126.4 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | trans | 80.1 | 137.7 | 161 | -45.1 | 171.1 | 0 | 0 | 0 | 114.3 | ||||
| 247 | S | 47.3 | Very low | 53 | Low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | cis | -171.6 | 155 | -13.8 | -179.3 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 248 | A | 51.6 | Low | 52.6 | Low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -43.9 | 149.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 249 | G | 45 | Very low | 52.1 | Low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 163.7 | 83.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 250 | C | 49.5 | Very low | 52 | Low | 117 Ų | 117 | 122.6 Ų | 122.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 76.9 | 105.4 | 138.6 | -56.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 251 | I | 55.8 | Low | 51.5 | Low | 155 Ų | 155 | 123.4 Ų | 123.4 | 80% | 0.795 | 79% | 0.79 | S | S | * | * | 66 | 116.2 | 124.1 | -53.4 | 159.6 | 0 | 0 | 0 | 119.8 | |||||
| 252 | P | 58.2 | Low | 51.7 | Low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -102.3 | -165.2 | 153.9 | 42.8 | -31.4 | 0 | 0 | 0 | 109.5 | ||||
| 253 | P | 54.3 | Low | 51.2 | Low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -134 | 157 | -9.4 | 37.4 | -19.7 | 0 | 0 | 0 | 114 | ||||
| 254 | C | 44.1 | Very low | 51 | Low | 128 Ų | 128 | 122.9 Ų | 122.9 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -169.3 | 139.5 | 167.1 | -92.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 255 | S | 50.1 | Low | 51 | Low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | cis | -167.8 | 153.6 | 11.5 | -76.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 256 | A | 53.5 | Low | 50.6 | Low | 93 Ų | 93 | 120.3 Ų | 120.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 23.2 | 142.9 | 133.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 257 | S | 45.1 | Very low | 50.4 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | cis | 171.9 | -179.4 | 16.2 | 37 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 258 | S | 51.9 | Low | 50.4 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 91.2 | 95.4 | 170.9 | -58.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 259 | E | 49.8 | Very low | 50.6 | Low | 181 Ų | 181 | 123 Ų | 123 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | 58.5 | 101.2 | 61.1 | -51.2 | -169.1 | 150 | 0 | 0 | 113.7 | |||||
| 260 | T | 53.8 | Low | 50.9 | Low | 129 Ų | 129 | 127.6 Ų | 127.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -158.4 | 115.8 | 140.1 | 41.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 261 | P | 47.2 | Very low | 50.8 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -91.5 | 116.3 | 162.8 | 32.3 | -22.2 | 0 | 0 | 0 | 108.2 | ||||
| 262 | L | 58.2 | Low | 50.2 | Low | 168 Ų | 168 | 126.9 Ų | 126.9 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -99.6 | 98.5 | 169.8 | -83.9 | 168.2 | 0 | 0 | 0 | 109.4 | ||||
| 263 | D | 44.2 | Very low | 49.6 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -50.8 | 126.7 | 160.2 | -159.5 | -0.2 | 0 | 0 | 0 | 110.4 | ||||
| 264 | G | 50.8 | Low | 49.4 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -135.4 | 79.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 265 | S | 53 | Low | 49.6 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -70.6 | 128.7 | 176.6 | -72.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 266 | S | 43.8 | Very low | 49.5 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | 48.7 | 146.9 | 147.1 | -127.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 267 | P | 50.9 | Low | 49.3 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -138.8 | 153.7 | 83.3 | 34.8 | -18.7 | 0 | 0 | 0 | 115.2 | M269 | P267-M269 PolarHBondContact O-N 2.74Š| |||
| 268 | D | 48.7 | Very low | 49.8 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -38.8 | 122.5 | 173.1 | -71 | -60.9 | 0 | 0 | 0 | 114.3 | M270 | D268-M270 PolarHBondContact O-N 3.49Š| ||
| 269 | M | 55 | Low | 50.2 | Low | 189 Ų | 189 | 137.6 Ų | 137.6 | 93% | 0.931 | 78% | 0.778 | S | S | * | * | trans | -78.1 | 97.3 | 161.8 | -68.5 | -135 | 148.5 | 0 | 0 | 108.4 | P267 S271 | P267-M269 PolarHBondContact O-N 2.74Å; M269-S271 PolarHBondContact O-N 3.38Å | ||
| 270 | M | 51.3 | Low | 51.2 | Low | 164 Ų | 164 | 132.6 Ų | 132.6 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -56.1 | 126.3 | 170.1 | -65.8 | -172.6 | 78.5 | 0 | 0 | 109.8 | D268 N272 | D268-M270 PolarHBondContact O-N 3.49Å; M270-N272 PolarHBondContact O-N 2.89Å; M270-N272 VanDerWaalsContact O-N 3.12Å | ||
| 271 | S | 47.3 | Very low | 52.1 | Low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -54.9 | 109.3 | 174.8 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | M269 S273 | M269-S271 PolarHBondContact O-N 3.38Å; S271-S273 PolarHBondContact O-N 2.83Å | ||
| 272 | N | 43.2 | Very low | 53.2 | Low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -72.7 | 60.1 | 171.4 | -71.4 | -36.1 | 0 | 0 | 0 | 111.7 | M270 | M270-N272 PolarHBondContact O-N 2.89Å; M270-N272 VanDerWaalsContact O-N 3.12Å | ||
| 273 | S | 46.7 | Very low | 53.5 | Low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | -98.5 | 6.1 | 178 | 72.3 | 0 | 0 | 0 | 0 | 114.7 | S271 | S271-S273 PolarHBondContact O-N 2.83Š| ||
| 274 | E | 49.8 | Very low | 54.6 | Low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -105.9 | 7.9 | -175.1 | -80.4 | -174.3 | 141.6 | 0 | 0 | 115.7 | ||
| 275 | F | 48.3 | Very low | 55.6 | Low | 184 Ų | 184 | 128.5 Ų | 128.5 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -99.7 | 16.3 | -177.1 | -86.5 | -80.4 | 0 | 0 | 0 | 115.9 | ||
| 276 | F | 47.4 | Very low | 56.5 | Low | 147 Ų | 147 | 128 Ų | 128 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | trans | -123 | 33.3 | -175.3 | -88.9 | -75.4 | 0 | 0 | 0 | 115 | I42 | I42-F276 HydrophobicContact CD1-CE2 4.18Å; I42-F276 HydrophobicContact CD1-CZ 3.76Å; I42-F276 HydrophobicContact CG1-CZ 4.1Å; I42-F276 HydrophobicContact CG2-CE1 3.73Å; I42-F276 HydrophobicContact CG2-CZ 3.96Å | ||
| 277 | T | 49 | Very low | 57.9 | Low | 124 Ų | 124 | 128.4 Ų | 128.4 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | trans | -106.5 | 3.1 | -179.1 | 46.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 278 | D | 55.3 | Low | 59.1 | Low | 160 Ų | 160 | 127.5 Ų | 127.5 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -108.5 | 48.6 | -179.7 | -87.8 | -14.4 | 0 | 0 | 0 | 113.5 | P280 | D278-P280 WeakPolarHBondContact O-CD 3.38Š| ||
| 279 | V | 61.3 | Low | 60.2 | Low | 102 Ų | 102 | 124.5 Ų | 124.5 | 62% | 0.618 | 69% | 0.692 | S | S | * | * | trans | -91.8 | 114.8 | 159 | -178.2 | 0 | 0 | 0 | 0 | 106.8 | E281 L283 | V279-E281 PolarHBondContact O-N 2.86Å; V279-L283 HydrophobicContact CG1-CB 4.39Å | ||
| 280 | P | 70.1 | Confident | 60.7 | Low | 75 Ų | 75 | 116.7 Ų | 116.7 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | trans | -52.3 | 127.7 | 174.2 | -21.1 | 28.1 | 0 | 0 | 0 | 109.4 | D278 D282 L283 | D278-P280 WeakPolarHBondContact O-CD 3.38Å; P280-D282 PolarHBondContact O-N 3.31Å; P280-L283 HydrophobicContact CB-CG 4.34Å; P280-L283 HydrophobicContact CG-CD1 4.11Å; P280-L283 HydrophobicContact CG-CG 4.47Å; P280-L283 PolarHBondContact O-N 2.87Å | ||
| 281 | E | 72.7 | Confident | 61.3 | Low | 181 Ų | 181 | 110.8 Ų | 110.8 | 85% | 0.846 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -51.3 | -29.4 | 178.8 | -113.9 | 166.3 | 161.5 | 0 | 0 | 112 | V279 L283 A284 | V279-E281 PolarHBondContact O-N 2.86Å; E281-L283 PolarHBondContact O-N 3.09Å; E281-A284 WeakPolarHBondContact O-CB 3.26Å; E281-A284 PolarHBondContact O-N 3.44Å; E281-A284 VanDerWaalsContact O-N 3.16Å |
| 282 | D | 69.6 | Low | 62.1 | Low | 136 Ų | 136 | 110.2 Ų | 110.2 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -63.4 | -18.4 | 176.4 | -71.4 | -8.8 | 0 | 0 | 0 | 114.8 | P280 | P280-D282 PolarHBondContact O-N 3.31Š|
| 283 | L | 65.7 | Low | 63.1 | Low | 82 Ų | 82 | 105.5 Ų | 105.5 | 43% | 0.429 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -94.9 | -12 | 177.9 | -59.8 | -179.1 | 0 | 0 | 0 | 113 | V279 P280 E281 G285 I286 | V279-L283 HydrophobicContact CG1-CB 4.39Å; P280-L283 HydrophobicContact CB-CG 4.34Å; P280-L283 HydrophobicContact CG-CD1 4.11Å; P280-L283 HydrophobicContact CG-CG 4.47Å; P280-L283 PolarHBondContact O-N 2.87Å; E281-L283 PolarHBondContact O-N 3.09Å; L283-G285 PolarHBondContact O-N 3.48Å; L283-G285 VanDerWaalsContact O-N 3.12Å; L283-I286 HydrophobicContact CD2-CD1 3.46Å; L283-I286 VanDerWaalsContact CD2-CD1 3.46Å; L283-I286 PolarHBondContact O-N 2.59Å |
| 284 | A | 66.6 | Low | 63.9 | Low | 88 Ų | 88 | 102.6 Ų | 102.6 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -18.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E281 | E281-A284 WeakPolarHBondContact O-CB 3.26Å; E281-A284 PolarHBondContact O-N 3.44Å; E281-A284 VanDerWaalsContact O-N 3.16Å |
| 285 | G | 72.9 | Confident | 64.6 | Low | 75 Ų | 75 | 99 Ų | 99 | 77% | 0.773 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -0.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L283 D287 | L283-G285 PolarHBondContact O-N 3.48Å; L283-G285 VanDerWaalsContact O-N 3.12Å; G285-D287 PolarHBondContact O-N 3.36Å |
| 286 | I | 70.3 | Confident | 65.1 | Low | 92 Ų | 92 | 98.7 Ų | 98.7 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | trans | -82.3 | 114.7 | -177.2 | -61.7 | -178.5 | 0 | 0 | 0 | 109.9 | L283 L288 | L283-I286 HydrophobicContact CD2-CD1 3.46Å; L283-I286 VanDerWaalsContact CD2-CD1 3.46Å; L283-I286 PolarHBondContact O-N 2.59Å; I286-L288 PolarHBondContact O-N 3.32Å | ||
| 287 | D | 73.7 | Confident | 65.7 | Low | 107 Ų | 107 | 96 Ų | 96 | 57% | 0.572 | 54% | 0.542 | S | S | * | . | trans | -69.4 | 98.6 | 172.6 | -177.9 | 13 | 0 | 0 | 0 | 111 | G285 T289 | G285-D287 PolarHBondContact O-N 3.36Å; D287-T289 PolarHBondContact O-N 2.99Å; D287-T289 WeakPolarHBondContact OD1-CB 3.36Å; D287-T289 PolarHBondContact OD1-N 3.49Å; D287-T289 PolarHBondContact OD1-OG1 3.2Å | ||
| 288 | L | 76.2 | Confident | 65.7 | Low | 100 Ų | 100 | 93.6 Ų | 93.6 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -9.4 | 176.1 | -66.5 | 171.7 | 0 | 0 | 0 | 113 | I286 A290 F291 R292 | I286-L288 PolarHBondContact O-N 3.32Å; L288-A290 VanDerWaalsContact C-N 3.33Å; L288-A290 PolarHBondContact O-N 3.29Å; L288-F291 WeakPolarHBondContact O-CB 3.39Å; L288-F291 PolarHBondContact O-N 3.16Å; L288-R292 VanDerWaalsContact O-CG 3.3Å; L288-R292 WeakPolarHBondContact O-CG 3Å; L288-R292 PolarHBondContact O-N 2.89Å |
| 289 | T | 72.2 | Confident | 65.4 | Low | 79 Ų | 79 | 89.9 Ų | 89.9 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | -178.6 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | D287 F291 R292 S293 | D287-T289 PolarHBondContact O-N 2.99Å; D287-T289 WeakPolarHBondContact OD1-CB 3.36Å; D287-T289 PolarHBondContact OD1-N 3.49Å; D287-T289 PolarHBondContact OD1-OG1 3.2Å; T289-F291 VanDerWaalsContact C-N 3.29Å; T289-F291 PolarHBondContact O-N 3.28Å; T289-R292 PolarHBondContact O-N 2.83Å; T289-S293 PolarHBondContact O-N 3.41Å; T289-S293 PolarHBondContact O-OG 3.39Å |
| 290 | A | 64.8 | Low | 64.4 | Low | 24 Ų | 24 | 88.5 Ų | 88.5 | 20% | 0.198 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R183 L288 L294 | R183-A290 HydrophobicContact CG-CB 4.34Å; R183-A290 PolarHBondContact NE-O 2.87Å; L288-A290 VanDerWaalsContact C-N 3.33Å; L288-A290 PolarHBondContact O-N 3.29Å; A290-L294 PolarHBondContact O-N 2.99Å |
| 291 | F | 63.3 | Low | 63 | Low | 40 Ų | 40 | 90.6 Ų | 90.6 | 18% | 0.175 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -71 | -43 | 177.6 | -133.4 | -83 | 0 | 0 | 0 | 111.4 | L180 M184 L197 V201 L288 T289 S293 L294 V295 | L180-F291 HydrophobicContact CD2-CE2 4.08Å; L180-F291 HydrophobicContact CD2-CZ 4.28Å; M184-F291 HydrophobicContact CE-CD2 3.59Å; M184-F291 HydrophobicContact CE-CE2 3.35Å; M184-F291 HydrophobicContact SD-CD2 3.64Å; M184-F291 HydrophobicContact SD-CE2 3.91Å; L197-F291 HydrophobicContact CD1-CE2 3.61Å; L197-F291 HydrophobicContact CD1-CZ 4.05Å; L197-F291 HydrophobicContact CD2-CE2 3.86Å; L197-F291 HydrophobicContact CD2-CZ 3.6Å; L197-F291 HydrophobicContact CG-CE2 4.13Å; L197-F291 HydrophobicContact CG-CZ 4.06Å; V201-F291 HydrophobicContact CG2-CE1 3.78Å; V201-F291 HydrophobicContact CG2-CZ 4Å; L288-F291 WeakPolarHBondContact O-CB 3.39Å; L288-F291 PolarHBondContact O-N 3.16Å; T289-F291 VanDerWaalsContact C-N 3.29Å; T289-F291 PolarHBondContact O-N 3.28Å; F291-S293 VanDerWaalsContact C-N 3.31Å; F291-S293 PolarHBondContact O-N 2.78Å; F291-L294 PolarHBondContact O-N 3.18Å; F291-L294 VanDerWaalsContact O-N 3.09Å; F291-V295 HydrophobicContact CD1-CG2 4.22Å; F291-V295 WeakPolarHBondContact O-CG2 3.37Å; F291-V295 PolarHBondContact O-N 3.12Å |
| 292 | R | 64.1 | Low | 61.5 | Low | 97 Ų | 97 | 91 Ų | 91 | 37% | 0.366 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 174.9 | -71.3 | 171.9 | -177 | -171.6 | 2.2 | 111.8 | L43 W45 L288 T289 R296 | L43-R292 PolarHBondContact O-NH2 3.28Å; W45-R292 VanDerWaalsContact CD1-NH2 3.31Å; L288-R292 VanDerWaalsContact O-CG 3.3Å; L288-R292 WeakPolarHBondContact O-CG 3Å; L288-R292 PolarHBondContact O-N 2.89Å; T289-R292 PolarHBondContact O-N 2.83Å; R292-R296 WeakPolarHBondContact O-CB 3.29Å; R292-R296 WeakPolarHBondContact O-CG 3.36Å; R292-R296 PolarHBondContact O-N 3.46Å; R292-R296 VanDerWaalsContact O-N 3.09Å |
| 293 | S | 64.3 | Low | 60.3 | Low | 50 Ų | 50 | 93.5 Ų | 93.5 | 35% | 0.35 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | T289 F291 R296 T297 | T289-S293 PolarHBondContact O-N 3.41Å; T289-S293 PolarHBondContact O-OG 3.39Å; F291-S293 VanDerWaalsContact C-N 3.31Å; F291-S293 PolarHBondContact O-N 2.78Å; S293-R296 PolarHBondContact O-N 2.9Å; S293-T297 PolarHBondContact O-N 2.82Å; S293-T297 PolarHBondContact O-OG1 3Å |
| 294 | L | 65.4 | Low | 59.1 | Low | 41 Ų | 41 | 94.1 Ų | 94.1 | 22% | 0.215 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -64.7 | -43.1 | -179 | -169.8 | 72.3 | 0 | 0 | 0 | 112.3 | L179 L180 A290 F291 T297 G298 | L179-L294 HydrophobicContact CD2-CD1 4.04Å; L180-L294 HydrophobicContact CD2-CD2 3.48Å; L180-L294 VanDerWaalsContact CD2-CD2 3.48Å; L180-L294 HydrophobicContact CG-CD2 4.32Å; A290-L294 PolarHBondContact O-N 2.99Å; F291-L294 PolarHBondContact O-N 3.18Å; F291-L294 VanDerWaalsContact O-N 3.09Å; L294-T297 PolarHBondContact O-N 3.32Å; L294-G298 PolarHBondContact O-N 3.19Å |
| 295 | V | 63.8 | Low | 58.1 | Low | 94 Ų | 94 | 98 Ų | 98 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.6 | -42.8 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | F291 T297 G298 | F291-V295 HydrophobicContact CD1-CG2 4.22Å; F291-V295 WeakPolarHBondContact O-CG2 3.37Å; F291-V295 PolarHBondContact O-N 3.12Å; V295-T297 VanDerWaalsContact C-N 3.33Å; V295-T297 PolarHBondContact O-N 3.49Å; V295-G298 PolarHBondContact O-N 2.6Å |
| 296 | R | 59.3 | Low | 56.4 | Low | 178 Ų | 178 | 97 Ų | 97 | 67% | 0.672 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.8 | -36.3 | 174.4 | -76.5 | -174.8 | -174.7 | 166.4 | 1.9 | 113.1 | R292 S293 G298 A299 | R292-R296 WeakPolarHBondContact O-CB 3.29Å; R292-R296 WeakPolarHBondContact O-CG 3.36Å; R292-R296 PolarHBondContact O-N 3.46Å; R292-R296 VanDerWaalsContact O-N 3.09Å; S293-R296 PolarHBondContact O-N 2.9Å; R296-G298 PolarHBondContact O-N 2.96Å; R296-A299 PolarHBondContact O-N 3.02Å |
| 297 | T | 58.7 | Low | 54.9 | Low | 92 Ų | 92 | 103.3 Ų | 103.3 | 56% | 0.564 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.7 | -17 | 179.3 | -28.1 | 0 | 0 | 0 | 0 | 112.6 | S293 L294 V295 | S293-T297 PolarHBondContact O-N 2.82Å; S293-T297 PolarHBondContact O-OG1 3Å; L294-T297 PolarHBondContact O-N 3.32Å; V295-T297 VanDerWaalsContact C-N 3.33Å; V295-T297 PolarHBondContact O-N 3.49Å |
| 298 | G | 50.4 | Low | 53 | Low | 73 Ų | 73 | 103.5 Ų | 103.5 | 75% | 0.753 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -86.4 | -19.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L294 V295 R296 | L294-G298 PolarHBondContact O-N 3.19Å; V295-G298 PolarHBondContact O-N 2.6Å; R296-G298 PolarHBondContact O-N 2.96Å |
| 299 | A | 48.5 | Very low | 51.5 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -119.9 | 75.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R296 | R296-A299 PolarHBondContact O-N 3.02Š|
| 300 | G | 39.2 | Very low | 50 | Low | 72 Ų | 72 | 106.6 Ų | 106.6 | 74% | 0.742 | 62% | 0.621 | S | S | * | * | trans | 81.6 | 47.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 301 | E | 42.2 | Very low | 49.1 | Very low | 119 Ų | 119 | 112.1 Ų | 112.1 | 56% | 0.556 | 65% | 0.653 | S | S | * | * | trans | -101.1 | 102.2 | 163.3 | -71.3 | -167.7 | 171.6 | 0 | 0 | 111.8 | Y303 | E301-Y303 HydrophobicContact CB-CE2 4.36Å; E301-Y303 PolarHBondContact O-N 3.48Å; E301-Y303 VanDerWaalsContact O-N 3.12Å | ||
| 302 | H | 41.1 | Very low | 48 | Very low | 189 Ų | 189 | 118.6 Ų | 118.6 | 88% | 0.875 | 68% | 0.683 | S | S | * | * | trans | -61.6 | 98.4 | 158.3 | -97.3 | -100.5 | 0 | 0 | 0 | 109 | A304 | H302-A304 VanDerWaalsContact C-N 3.32Å; H302-A304 PolarHBondContact O-N 3.48Å; H302-A304 VanDerWaalsContact O-N 3.08Å | ||
| 303 | Y | 44.1 | Very low | 46.7 | Very low | 190 Ų | 190 | 124.9 Ų | 124.9 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | trans | -74.7 | 90.5 | 158.2 | -77.9 | -82.7 | 0 | 0 | 0 | 108.6 | E301 L305 | E301-Y303 HydrophobicContact CB-CE2 4.36Å; E301-Y303 PolarHBondContact O-N 3.48Å; E301-Y303 VanDerWaalsContact O-N 3.12Å; Y303-L305 PolarHBondContact O-N 3.18Å | ||
| 304 | A | 40.3 | Very low | 45.5 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -82.9 | 91.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | H302 | H302-A304 VanDerWaalsContact C-N 3.32Å; H302-A304 PolarHBondContact O-N 3.48Å; H302-A304 VanDerWaalsContact O-N 3.08Å | ||
| 305 | L | 45.2 | Very low | 44.2 | Very low | 169 Ų | 169 | 136 Ų | 136 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | trans | -93.5 | 104.5 | 161.4 | -110.3 | 160.6 | 0 | 0 | 0 | 107.7 | Y303 | Y303-L305 PolarHBondContact O-N 3.18Š| ||
| 306 | G | 37 | Very low | 43 | Very low | 55 Ų | 55 | 135.9 Ų | 135.9 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | trans | 59.4 | 105.7 | 155 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 307 | F | 38.6 | Very low | 42.1 | Very low | 224 Ų | 224 | 139.3 Ų | 139.3 | 98% | 0.982 | 77% | 0.772 | S | S | * | * | -166 | 132.9 | 122.8 | -92.6 | -67.6 | 0 | 0 | 0 | 109.2 | |||||
| 308 | S | 34.5 | Very low | 41.3 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -78.7 | 129.9 | -179.2 | -156.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 309 | A | 44.8 | Very low | 40.6 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -154.3 | 99.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 310 | D | 40.2 | Very low | 40.2 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -55.4 | 132.2 | 161.8 | -68.9 | -60.5 | 0 | 0 | 0 | 110 | ||||
| 311 | T | 45.7 | Very low | 40.2 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | -173.6 | 135.6 | 121.6 | 14.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 312 | E | 41 | Very low | 40.3 | Very low | 175 Ų | 175 | 154.4 Ų | 154.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -50.9 | 144.1 | 177.8 | -58.9 | 156.8 | 128.7 | 0 | 0 | 113.4 | ||||
| 313 | Y | 37.5 | Very low | 40.7 | Very low | 229 Ų | 229 | 154.3 Ų | 154.3 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | -167.5 | 122.4 | 117.5 | -124.5 | -100.6 | 0 | 0 | 0 | 111.6 | |||||
| 314 | S | 37.7 | Very low | 40.6 | Very low | 101 Ų | 101 | 153.7 Ų | 153.7 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -82.9 | 165.5 | 175.8 | -73.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 315 | R | 39.6 | Very low | 41.2 | Very low | 223 Ų | 223 | 158.5 Ų | 158.5 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | 92.2 | 103.6 | 149.1 | -78.3 | 174.3 | -168.6 | -136 | 3.4 | 119.9 | ||||
| 316 | S | 36.6 | Very low | 41.3 | Very low | 93 Ų | 93 | 157.5 Ų | 157.5 | 65% | 0.65 | 82% | 0.821 | S | S | * | * | 56.5 | 120 | 117.3 | 72.1 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 317 | W | 40.4 | Very low | 42 | Very low | 249 Ų | 249 | 158.5 Ų | 158.5 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -141.5 | 90.9 | 153 | -70.6 | 80.9 | 0 | 0 | 0 | 107 | ||||
| 318 | R | 42 | Very low | 42.7 | Very low | 238 Ų | 238 | 156.8 Ų | 156.8 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | 41 | 113 | 94.2 | -78.5 | -159 | -179.6 | -141.3 | 1.2 | 115.7 | |||||
| 319 | N | 36 | Very low | 43.6 | Very low | 162 Ų | 162 | 163.3 Ų | 163.3 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -41.9 | 135.3 | 158.9 | -69.6 | -22.1 | 0 | 0 | 0 | 112.2 | ||||
| 320 | S | 40.7 | Very low | 43.8 | Very low | 124 Ų | 124 | 164.2 Ų | 164.2 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -128 | 100.2 | 168.1 | -146.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 321 | T | 38.8 | Very low | 44.4 | Very low | 140 Ų | 140 | 162.8 Ų | 162.8 | 86% | 0.859 | 83% | 0.832 | S | S | * | * | trans | -99.8 | 107.9 | 167.4 | -32.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 322 | A | 45.4 | Very low | 44.5 | Very low | 91 Ų | 91 | 161.4 Ų | 161.4 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | 165.3 | 99.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 323 | Q | 48.3 | Very low | 44.8 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -140.5 | 99.8 | 148.2 | -116.2 | -178.5 | 5.9 | 0 | 0 | 108.2 | ||||
| 324 | Q | 43.4 | Very low | 45.5 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | -81 | 122.3 | 167.2 | -169.6 | -179.1 | 8.6 | 0 | 0 | 106.5 | ||||
| 325 | F | 51.6 | Low | 46.1 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -140.5 | 109.8 | 161.4 | -110.5 | -83.4 | 0 | 0 | 0 | 108.1 | ||||
| 326 | D | 48.3 | Very low | 46.1 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -60.6 | 142.2 | 162.5 | -91.9 | -47.2 | 0 | 0 | 0 | 110.1 | ||||
| 327 | G | 51.7 | Low | 46.4 | Very low | 75 Ų | 75 | 155.4 Ų | 155.4 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | 176.8 | 77 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 328 | E | 52.6 | Low | 46.5 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -53.8 | 130.9 | 175.1 | -57.7 | -170.6 | 139.7 | 0 | 0 | 113.1 | ||||
| 329 | R | 53.6 | Low | 46.6 | Very low | 248 Ų | 248 | 145.9 Ų | 145.9 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | trans | 179.5 | 106 | 140.5 | -100.2 | 166.5 | -169.1 | -116.9 | 3.6 | 110.2 | ||||
| 330 | S | 49.4 | Very low | 46.8 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -95.7 | 179.1 | 151.2 | -66.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 331 | P | 51.2 | Low | 46.7 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | cis | -135.1 | 174 | -5.2 | 30.1 | -8.2 | 0 | 0 | 0 | 113.8 | ||||
| 332 | S | 48.8 | Very low | 46.6 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | 171.8 | 127.3 | 117.6 | 45 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 333 | S | 48.3 | Very low | 46.4 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -0.5 | 128.3 | 153.9 | 58.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 334 | V | 51.6 | Low | 46.3 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -151 | 121.7 | 132.1 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 335 | D | 49.7 | Very low | 46.4 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | 47.9 | 115.2 | 151.4 | -62.3 | -35.6 | 0 | 0 | 0 | 124.3 | ||||
| 336 | H | 39.6 | Very low | 46 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -67 | 133.5 | 147.1 | -70.7 | -83.2 | 0 | 0 | 0 | 111 | ||||
| 337 | S | 43.6 | Very low | 45.9 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -140.5 | 109.6 | 151.1 | -83.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 338 | T | 42.7 | Very low | 45.6 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | -35.4 | 143.2 | 158.2 | 45.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 339 | L | 44.2 | Very low | 45.3 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | -171 | 117 | 119.2 | -95.4 | 168.6 | 0 | 0 | 0 | 110.4 | |||||
| 340 | Y | 40 | Very low | 44.7 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -62.1 | 138.7 | 162.1 | -74.7 | -104.5 | 0 | 0 | 0 | 110.1 | ||||
| 341 | N | 37.5 | Very low | 44.4 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | -173.9 | 112.2 | 117.5 | -118.5 | -33.1 | 0 | 0 | 0 | 111.9 | |||||
| 342 | L | 37.7 | Very low | 44.1 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -82.8 | 107.3 | 156.1 | -86.9 | 139.6 | 0 | 0 | 0 | 106.6 | ||||
| 343 | S | 41.2 | Very low | 44.1 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | -119.8 | 106.4 | 164.9 | 60.1 | 0 | 0 | 0 | 0 | 109.3 | V345 | S343-V345 PolarHBondContact O-N 3.32Š| ||
| 344 | V | 45.2 | Very low | 43.9 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 8.1 | 107.4 | 138.3 | -178.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 345 | V | 45.8 | Very low | 43.6 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -91.6 | 110.7 | 159.6 | 176.1 | 0 | 0 | 0 | 0 | 106.6 | S343 M347 | S343-V345 PolarHBondContact O-N 3.32Å; V345-M347 PolarHBondContact O-N 3.11Å | ||
| 346 | D | 43.1 | Very low | 43.3 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -63.8 | 117.9 | 176 | -168.1 | -13.6 | 0 | 0 | 0 | 110.3 | S348 | D346-S348 PolarHBondContact O-N 3.37Å; D346-S348 WeakPolarHBondContact OD1-CB 3.47Å; D346-S348 PolarHBondContact OD1-OG 3.41Å; D346-S348 PolarHBondContact OD2-OG 2.91Å | ||
| 347 | M | 45.9 | Very low | 43.7 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -82.1 | 82.4 | 170.4 | -85.1 | 169 | 64.5 | 0 | 0 | 108.9 | V345 | V345-M347 PolarHBondContact O-N 3.11Š| ||
| 348 | S | 46.4 | Very low | 43.7 | Very low | 64 Ų | 64 | 141.5 Ų | 141.5 | 45% | 0.448 | 77% | 0.774 | S | S | . | * | trans | -153 | 35.8 | 175.5 | 54.5 | 0 | 0 | 0 | 0 | 115 | D346 | D346-S348 PolarHBondContact O-N 3.37Å; D346-S348 WeakPolarHBondContact OD1-CB 3.47Å; D346-S348 PolarHBondContact OD1-OG 3.41Å; D346-S348 PolarHBondContact OD2-OG 2.91Å | ||
| 349 | H | 46.3 | Very low | 43.9 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -143 | 59 | 171.6 | -70.4 | -53.7 | 0 | 0 | 0 | 113.9 | ||||
| 350 | Y | 40.7 | Very low | 43.9 | Very low | 238 Ų | 238 | 140.7 Ų | 140.7 | 93% | 0.933 | 78% | 0.775 | S | S | * | * | trans | -147.8 | 78.7 | 157.8 | -94.9 | -80.6 | 0 | 0 | 0 | 109.5 | ||||
| 351 | A | 43.8 | Very low | 44.4 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -106.8 | 95.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | S353 | A351-S353 PolarHBondContact O-N 3.39Š| ||
| 352 | S | 43.5 | Very low | 45.1 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -75.1 | 110.3 | 164.6 | -85.4 | 0 | 0 | 0 | 0 | 108 | V354 | S352-V354 PolarHBondContact O-N 3.12Š| ||
| 353 | S | 49 | Very low | 46.1 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -63.9 | 99.9 | 169.6 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | A351 T355 | A351-S353 PolarHBondContact O-N 3.39Å; S353-T355 PolarHBondContact O-N 3.48Å | ||
| 354 | V | 44 | Very low | 46.5 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -77.7 | 108.9 | 161.2 | 178 | 0 | 0 | 0 | 0 | 106.5 | S352 | S352-V354 PolarHBondContact O-N 3.12Š| ||
| 355 | T | 44.7 | Very low | 47.1 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | -86.9 | 107.8 | 174.5 | -45.2 | 0 | 0 | 0 | 0 | 107.1 | S353 | S353-T355 PolarHBondContact O-N 3.48Š| ||
| 356 | Y | 44.8 | Very low | 47.5 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | -88.4 | 112.4 | 172.1 | -147.7 | -93.2 | 0 | 0 | 0 | 107.9 | D358 | Y356-D358 PolarHBondContact O-N 3.27Š| ||
| 357 | C | 47.8 | Very low | 48.1 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 75% | 0.75 | 80% | 0.797 | S | S | * | * | trans | -85.2 | 90.3 | 169.7 | -73.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 358 | D | 43.3 | Very low | 48.2 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | -74.5 | 120.8 | 159.8 | -105.8 | -28.6 | 0 | 0 | 0 | 108.7 | Y356 | Y356-D358 PolarHBondContact O-N 3.27Š| ||
| 359 | S | 46.4 | Very low | 48.3 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -123.5 | 79.2 | 166.9 | -73.2 | 0 | 0 | 0 | 0 | 108.3 | A361 | S359-A361 PolarHBondContact O-N 3.44Š| ||
| 360 | L | 45.7 | Very low | 48.4 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -71.6 | 102.5 | 156.6 | -89.9 | 159.9 | 0 | 0 | 0 | 107.9 | ||||
| 361 | A | 49.6 | Very low | 48.9 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -95.7 | 85 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | S359 N363 | S359-A361 PolarHBondContact O-N 3.44Å; A361-N363 PolarHBondContact O-N 3.07Å | ||
| 362 | E | 52.6 | Low | 49.2 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -67 | 112.8 | 162 | -166.9 | 176.9 | -164.4 | 0 | 0 | 108.1 | ||||
| 363 | N | 57.8 | Low | 49.6 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -142 | 91.8 | 164.8 | -82.1 | -62.3 | 0 | 0 | 0 | 108.3 | A361 | A361-N363 PolarHBondContact O-N 3.07Š| ||
| 364 | A | 51.2 | Low | 49.6 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -91.5 | 141.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 365 | P | 57.6 | Low | 50 | Low | 107 Ų | 107 | 142.3 Ų | 142.3 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | -144.6 | 139.2 | 111.5 | 33.5 | -17.3 | 0 | 0 | 0 | 113.8 | |||||
| 366 | L | 54.3 | Low | 50.5 | Low | 167 Ų | 167 | 144.3 Ų | 144.3 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | 42.3 | 93.5 | 133.5 | -61.2 | 167.3 | 0 | 0 | 0 | 117.4 | ||||
| 367 | L | 54.9 | Low | 51 | Low | 248 Ų | 248 | 140.2 Ų | 140.2 | 100% | 1.298 | 82% | 0.823 | S | S | * | * | -170.2 | 0 | 124.5 | -103.1 | 161.4 | 0 | 0 | 0 | 111.2 |
Retrieved 367 of 367 residues in 184.9 ms
(Link to these results)