| 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 | 39.5 | Very low | 36.5 | Very low | 199 Ų | 199 | 113.1 Ų | 113.1 | 98% | 0.98 | 63% | 0.628 | S | S | * | * | 0 | -44 | 0 | -149.4 | 160.4 | -92.5 | 0 | 0 | 111.8 | L3 N4 D5 | M1-L3 PolarHBondContact O-N 3.08Å; M1-N4 PolarHBondContact O-N 3.47Å; M1-N4 VanDerWaalsContact O-N 3.09Å; M1-D5 PolarHBondContact O-N 3.4Å | |||
| 2 | A | 40.8 | Very low | 36.7 | Very low | 76 Ų | 76 | 114.9 Ų | 114.9 | 63% | 0.628 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.7 | -33.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | A6 | A2-A6 PolarHBondContact O-N 3.29Å |
| 3 | L | 34 | Very low | 37.1 | Very low | 137 Ų | 137 | 110.8 Ų | 110.8 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.4 | -31.1 | 178 | -78.8 | 166.4 | 0 | 0 | 0 | 113.1 | M1 Y7 | M1-L3 PolarHBondContact O-N 3.08Å; L3-Y7 PolarHBondContact O-N 3.27Å |
| 4 | N | 34.2 | Very low | 37.3 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.8 | -36.4 | 177.5 | -85.2 | 6.7 | 0 | 0 | 0 | 111.4 | M1 A6 Y7 C8 | M1-N4 PolarHBondContact O-N 3.47Å; M1-N4 VanDerWaalsContact O-N 3.09Å; N4-A6 VanDerWaalsContact C-N 3.3Å; N4-A6 PolarHBondContact O-N 3.17Å; N4-Y7 PolarHBondContact O-N 3.29Å; N4-C8 PolarHBondContact O-N 2.98Å |
| 5 | D | 32.8 | Very low | 37.6 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.1 | -37.9 | 175 | -61.3 | -28.7 | 0 | 0 | 0 | 110.9 | M1 Y7 D9 | M1-D5 PolarHBondContact O-N 3.4Å; D5-Y7 VanDerWaalsContact C-N 3.34Å; D5-Y7 PolarHBondContact O-N 3.18Å; D5-D9 WeakPolarHBondContact O-CB 3.31Å; D5-D9 PolarHBondContact O-N 2.66Å |
| 6 | A | 36.9 | Very low | 37.9 | Very low | 40 Ų | 40 | 117.6 Ų | 117.6 | 33% | 0.331 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.2 | -37.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A2 N4 M10 | A2-A6 PolarHBondContact O-N 3.29Å; N4-A6 VanDerWaalsContact C-N 3.3Å; N4-A6 PolarHBondContact O-N 3.17Å; A6-M10 WeakPolarHBondContact O-CG 3.11Å; A6-M10 PolarHBondContact O-N 2.69Å |
| 7 | Y | 31.5 | Very low | 38.1 | Very low | 171 Ų | 171 | 115.5 Ų | 115.5 | 67% | 0.671 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.4 | -38.7 | -179.1 | -156.1 | -93.6 | 0 | 0 | 0 | 112.9 | L3 N4 D5 D9 M10 | L3-Y7 PolarHBondContact O-N 3.27Å; N4-Y7 PolarHBondContact O-N 3.29Å; D5-Y7 VanDerWaalsContact C-N 3.34Å; D5-Y7 PolarHBondContact O-N 3.18Å; Y7-D9 PolarHBondContact O-N 3.49Å; Y7-M10 HydrophobicContact CD2-SD 3.84Å; Y7-M10 HydrophobicContact CE2-CE 4.5Å; Y7-M10 HydrophobicContact CE2-SD 4.24Å; Y7-M10 HydrophobicContact CG-SD 4.47Å; Y7-M10 WeakPolarHBondContact O-CB 3.1Å; Y7-M10 PolarHBondContact O-N 2.78Å |
| 8 | C | 34.1 | Very low | 38.5 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 68% | 0.676 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.4 | -26.6 | 175.2 | -78.1 | 0 | 0 | 0 | 0 | 112.6 | N4 S11 | N4-C8 PolarHBondContact O-N 2.98Å; C8-S11 PolarHBondContact O-OG 3.33Å |
| 9 | D | 39.7 | Very low | 39 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 44% | 0.439 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -75 | -33.6 | 175.1 | -152.5 | -4.7 | 0 | 0 | 0 | 111.1 | D5 Y7 S11 N12 W13 | D5-D9 WeakPolarHBondContact O-CB 3.31Å; D5-D9 PolarHBondContact O-N 2.66Å; Y7-D9 PolarHBondContact O-N 3.49Å; D9-S11 PolarHBondContact O-N 2.77Å; D9-N12 PolarHBondContact O-N 3.08Å; D9-W13 PolarHBondContact O-NE1 2.82Å; D9-W13 PolarHBondContact OD1-NE1 3.49Å; D9-W13 WeakPolarHBondContact OD2-CZ2 3.29Å |
| 10 | M | 34.9 | Very low | 39.5 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -50.8 | -29.9 | -172.9 | -80.8 | 175 | 60.2 | 0 | 0 | 116.1 | A6 Y7 N12 | A6-M10 WeakPolarHBondContact O-CG 3.11Å; A6-M10 PolarHBondContact O-N 2.69Å; Y7-M10 HydrophobicContact CD2-SD 3.84Å; Y7-M10 HydrophobicContact CE2-CE 4.5Å; Y7-M10 HydrophobicContact CE2-SD 4.24Å; Y7-M10 HydrophobicContact CG-SD 4.47Å; Y7-M10 WeakPolarHBondContact O-CB 3.1Å; Y7-M10 PolarHBondContact O-N 2.78Å; M10-N12 VanDerWaalsContact C-N 3.3Å; M10-N12 PolarHBondContact O-N 2.88Å |
| 11 | S | 42.9 | Very low | 40 | Very low | 100 Ų | 100 | 114.1 Ų | 114.1 | 70% | 0.699 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -68.3 | -22.5 | -179.7 | 28 | 0 | 0 | 0 | 0 | 114.6 | C8 D9 | C8-S11 PolarHBondContact O-OG 3.33Å; D9-S11 PolarHBondContact O-N 2.77Å |
| 12 | N | 39.2 | Very low | 40.5 | Very low | 135 Ų | 135 | 108.1 Ų | 108.1 | 72% | 0.722 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -100.2 | 6.9 | -177.4 | -75.9 | -20.5 | 0 | 0 | 0 | 114.4 | D9 M10 | D9-N12 PolarHBondContact O-N 3.08Å; M10-N12 VanDerWaalsContact C-N 3.3Å; M10-N12 PolarHBondContact O-N 2.88Å |
| 13 | W | 41.8 | Very low | 41.2 | Very low | 61 Ų | 61 | 110.3 Ų | 110.3 | 23% | 0.231 | 56% | 0.559 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -17.9 | -168.2 | -75.4 | 70.7 | 0 | 0 | 0 | 116.5 | D9 E15 G16 E17 Y114 | D9-W13 PolarHBondContact O-NE1 2.82Å; D9-W13 PolarHBondContact OD1-NE1 3.49Å; D9-W13 WeakPolarHBondContact OD2-CZ2 3.29Å; W13-E15 VanDerWaalsContact C-N 3.28Å; W13-E15 PolarHBondContact O-N 3.49Å; W13-G16 PolarHBondContact O-N 2.83Å; W13-E17 WeakPolarHBondContact O-CG 3.09Å; W13-E17 PolarHBondContact O-N 2.67Å; W13-Y114 HydrophobicContact CH2-CD1 4.48Å; W13-Y114 AromaticContact CH2-CD2 3.33Å; W13-Y114 HydrophobicContact CH2-CD2 3.33Å; W13-Y114 AromaticContact CH2-CE2 3.69Å; W13-Y114 HydrophobicContact CH2-CE2 3.69Å; W13-Y114 AromaticContact CH2-CG 3.79Å; W13-Y114 HydrophobicContact CH2-CG 3.79Å; W13-Y114 AromaticContact CZ3-CD2 3.62Å; W13-Y114 HydrophobicContact CZ3-CD2 3.62Å; W13-Y114 AromaticContact CZ3-CE2 3.42Å; W13-Y114 HydrophobicContact CZ3-CE2 3.42Å; W13-Y114 VanDerWaalsContact CZ3-CE2 3.42Å; W13-Y114 HydrophobicContact CZ3-CG 4.34Å; W13-Y114 AromaticContact CZ3-CZ 3.95Å |
| 14 | R | 40.1 | Very low | 42.6 | Very low | 227 Ų | 227 | 104.8 Ų | 104.8 | 86% | 0.857 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.3 | -170.3 | -69.6 | -166.4 | -169.5 | -162.1 | 4.6 | 114.4 | ||
| 15 | E | 42.5 | Very low | 44.6 | Very low | 175 Ų | 175 | 101.5 Ų | 101.5 | 82% | 0.818 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -24.4 | -179.1 | -76.9 | -176.9 | 166.5 | 0 | 0 | 114 | W13 | W13-E15 VanDerWaalsContact C-N 3.28Å; W13-E15 PolarHBondContact O-N 3.49Å |
| 16 | G | 41.9 | Very low | 46.8 | Very low | 39 Ų | 39 | 99.6 Ų | 99.6 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -28 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W13 M18 K19 | W13-G16 PolarHBondContact O-N 2.83Å; G16-M18 PolarHBondContact O-N 3.47Å; G16-K19 PolarHBondContact O-N 3.4Å |
| 17 | E | 41.6 | Very low | 49 | Very low | 82 Ų | 82 | 100.1 Ų | 100.1 | 38% | 0.383 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | -173.4 | -80.4 | -167.9 | 138.5 | 0 | 0 | 113.8 | W13 K19 R110 | W13-E17 WeakPolarHBondContact O-CG 3.09Å; W13-E17 PolarHBondContact O-N 2.67Å; E17-K19 VanDerWaalsContact C-N 3.31Å; E17-K19 PolarHBondContact O-N 2.77Å; E17-R110 IonicContact OE1-CZ 2.84Å; E17-R110 IonicContact OE1-NH1 2.98Å; E17-R110 PolarHBondContact OE1-NH1 3.33Å; E17-R110 IonicContact OE1-NH2 3.37Å |
| 18 | M | 45.2 | Very low | 51.5 | Low | 152 Ų | 152 | 94.3 Ų | 94.3 | 75% | 0.749 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68 | -25.9 | -174.8 | -90.9 | -167.5 | -77.3 | 0 | 0 | 113.9 | G16 A22 | G16-M18 PolarHBondContact O-N 3.47Å; M18-A22 WeakPolarHBondContact O-CB 3.42Å |
| 19 | K | 48.5 | Very low | 53.8 | Low | 154 Ų | 154 | 91 Ų | 91 | 67% | 0.67 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -76.4 | -31.5 | -167.1 | -73.6 | -172.7 | 179.4 | 176.8 | 0 | 114.6 | G16 E17 Y23 | G16-K19 PolarHBondContact O-N 3.4Å; E17-K19 VanDerWaalsContact C-N 3.31Å; E17-K19 PolarHBondContact O-N 2.77Å; K19-Y23 WeakPolarHBondContact O-CE2 3.29Å |
| 20 | Y | 47.8 | Very low | 55.9 | Low | 75 Ų | 75 | 95.7 Ų | 95.7 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -109.2 | -23.4 | -171 | -65.2 | -84.3 | 0 | 0 | 0 | 114.6 | A22 Y23 L122 | Y20-A22 VanDerWaalsContact C-N 3.32Å; Y20-Y23 HydrophobicContact CD1-CD2 4.39Å; Y20-Y23 AromaticContact CD1-CE2 3.65Å; Y20-Y23 HydrophobicContact CD1-CE2 3.65Å; Y20-Y23 HydrophobicContact CE1-CE2 4.3Å; Y20-Y23 HydrophobicContact CG-CE2 4.33Å; Y20-Y23 VanDerWaalsContact O-CD2 3.27Å; Y20-Y23 WeakPolarHBondContact O-CD2 3.44Å; Y20-L122 HydrophobicContact CD1-CD1 3.84Å; Y20-L122 HydrophobicContact CE1-CD1 4.35Å; Y20-L122 HydrophobicContact CG-CD1 4.3Å |
| 21 | E | 50.2 | Low | 58.5 | Low | 53 Ų | 53 | 95.4 Ų | 95.4 | 25% | 0.248 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -77.5 | -24.1 | 170.5 | -61.9 | -157.8 | 144.6 | 0 | 0 | 112.1 | Y23 G24 R106 R110 T130 | E21-Y23 PolarHBondContact O-N 2.87Å; E21-Y23 VanDerWaalsContact O-N 3.08Å; E21-G24 PolarHBondContact O-N 3.36Å; E21-R106 VanDerWaalsContact CD-NH2 3.32Å; E21-R106 IonicContact OE1-CZ 2.69Å; E21-R106 IonicContact OE1-NE 3.27Å; E21-R106 IonicContact OE1-NH2 3.61Å; E21-R106 PolarHBondContact OE1-NH2 3.46Å; E21-R106 IonicContact OE2-NH2 2.86Å; E21-R106 PolarHBondContact OE2-NH2 3.23Å; E21-R110 IonicContact OE1-CZ 3.46Å; E21-R110 IonicContact OE1-NE 2.77Å; E21-R110 IonicContact OE1-NH2 3.56Å; E21-R110 PolarHBondContact OE1-NH2 3.41Å; E21-R110 IonicContact OE2-NH2 3.54Å; E21-R110 PolarHBondContact OE2-NH2 2.95Å; E21-R110 VanDerWaalsContact OE2-NH2 3.1Å; E21-T130 HydrophobicContact CB-CG2 4.43Å |
| 22 | A | 49.5 | Very low | 60.7 | Low | 72 Ų | 72 | 91.7 Ų | 91.7 | 60% | 0.595 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -8.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M18 Y20 G24 | M18-A22 WeakPolarHBondContact O-CB 3.42Å; Y20-A22 VanDerWaalsContact C-N 3.32Å; A22-G24 PolarHBondContact O-N 2.91Å |
| 23 | Y | 56 | Low | 63 | Low | 122 Ų | 122 | 86.6 Ų | 86.6 | 48% | 0.478 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.8 | 175.9 | -74.3 | -70.8 | 0 | 0 | 0 | 112.6 | K19 Y20 E21 S25 L28 | K19-Y23 WeakPolarHBondContact O-CE2 3.29Å; Y20-Y23 HydrophobicContact CD1-CD2 4.39Å; Y20-Y23 AromaticContact CD1-CE2 3.65Å; Y20-Y23 HydrophobicContact CD1-CE2 3.65Å; Y20-Y23 HydrophobicContact CE1-CE2 4.3Å; Y20-Y23 HydrophobicContact CG-CE2 4.33Å; Y20-Y23 VanDerWaalsContact O-CD2 3.27Å; Y20-Y23 WeakPolarHBondContact O-CD2 3.44Å; E21-Y23 PolarHBondContact O-N 2.87Å; E21-Y23 VanDerWaalsContact O-N 3.08Å; Y23-S25 PolarHBondContact O-N 2.98Å; Y23-L28 HydrophobicContact CD1-CD2 4.32Å; Y23-L28 WeakPolarHBondContact O-CD2 3.3Å |
| 24 | G | 62.8 | Low | 65.3 | Low | 21 Ų | 21 | 87.2 Ų | 87.2 | 22% | 0.216 | 44% | 0.44 | C | S | . | . | trans | -72.2 | 51.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E21 A22 L132 | E21-G24 PolarHBondContact O-N 3.36Å; A22-G24 PolarHBondContact O-N 2.91Å; G24-L132 WeakPolarHBondContact CA-O 3.31Å; G24-L132 WeakPolarHBondContact O-CB 3.19Å; G24-L132 WeakPolarHBondContact O-CD1 3.26Å | ||
| 25 | S | 76.1 | Confident | 67.7 | Low | 52 Ų | 52 | 78.7 Ų | 78.7 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | trans | -81.8 | 152.5 | 173.7 | 72.3 | 0 | 0 | 0 | 0 | 111.4 | Y23 A27 L28 R29 | Y23-S25 PolarHBondContact O-N 2.98Å; S25-A27 PolarHBondContact O-N 3.2Å; S25-L28 PolarHBondContact O-N 3.26Å; S25-L28 WeakPolarHBondContact OG-CB 3.44Å; S25-L28 PolarHBondContact OG-N 2.79Å; S25-R29 WeakPolarHBondContact O-CB 3.33Å; S25-R29 PolarHBondContact O-N 2.9Å | ||
| 26 | A | 79.4 | Confident | 69.9 | Low | 61 Ų | 61 | 71 Ų | 71 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.3 | -30.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R30 | A26-R30 WeakPolarHBondContact O-CG 3.49Å; A26-R30 PolarHBondContact O-N 2.95Å; A26-R30 VanDerWaalsContact O-N 3.16Å; A26-R30 PolarHBondContact O-NE 3.2Å |
| 27 | A | 82.8 | Confident | 72.3 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.3 | -49.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S25 R29 R30 I31 | S25-A27 PolarHBondContact O-N 3.2Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.29Å; A27-R30 PolarHBondContact O-N 3.42Å; A27-I31 PolarHBondContact O-N 2.99Å |
| 28 | L | 84 | Confident | 74.8 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 178 | -171.4 | 60.6 | 0 | 0 | 0 | 111.3 | Y23 S25 R30 I31 T32 V134 | Y23-L28 HydrophobicContact CD1-CD2 4.32Å; Y23-L28 WeakPolarHBondContact O-CD2 3.3Å; S25-L28 PolarHBondContact O-N 3.26Å; S25-L28 WeakPolarHBondContact OG-CB 3.44Å; S25-L28 PolarHBondContact OG-N 2.79Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 3.03Å; L28-I31 PolarHBondContact O-N 3.13Å; L28-I31 VanDerWaalsContact O-N 3.16Å; L28-T32 HydrophobicContact CD1-CG2 4.25Å; L28-T32 HydrophobicContact CG-CG2 4.16Å; L28-T32 WeakPolarHBondContact O-CG2 3.27Å; L28-T32 PolarHBondContact O-N 3.27Å; L28-T32 PolarHBondContact O-OG1 2.86Å; L28-V134 HydrophobicContact CD2-CG1 4.44Å; L28-V134 HydrophobicContact CD2-CG2 3.93Å |
| 29 | R | 82.9 | Confident | 77 | Confident | 31 Ų | 31 | 73.1 Ų | 73.1 | 12% | 0.117 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.2 | -44.4 | 174.5 | 179.3 | 64.1 | 178.2 | -177.7 | 7.4 | 112.3 | S25 A27 I31 T32 M33 I44 L132 P133 | S25-R29 WeakPolarHBondContact O-CB 3.33Å; S25-R29 PolarHBondContact O-N 2.9Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.29Å; R29-I31 VanDerWaalsContact C-N 3.34Å; R29-T32 PolarHBondContact O-N 2.86Å; R29-T32 PolarHBondContact O-OG1 2.72Å; R29-T32 VanDerWaalsContact O-OG1 3.13Å; R29-M33 HydrophobicContact CG-CG 4.28Å; R29-M33 VanDerWaalsContact CZ-SD 3.55Å; R29-M33 PolarHBondContact NH2-SD 3.26Å; R29-M33 VanDerWaalsContact O-CB 3.31Å; R29-M33 WeakPolarHBondContact O-CB 3.39Å; R29-M33 WeakPolarHBondContact O-CG 3.48Å; R29-M33 PolarHBondContact O-N 3.1Å; R29-I44 PolarHBondContact NH2-O 3.29Å; R29-L132 HydrophobicContact CB-CD2 4.46Å; R29-L132 HydrophobicContact CG-CD2 4.11Å; R29-P133 PolarHBondContact NH1-O 2.97Å |
| 30 | R | 84.8 | Confident | 79.2 | Confident | 181 Ų | 181 | 69.5 Ų | 69.5 | 68% | 0.683 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 177.2 | -77.2 | -177.6 | -74.8 | -156 | 1.2 | 111.4 | A26 A27 L28 E34 | A26-R30 WeakPolarHBondContact O-CG 3.49Å; A26-R30 PolarHBondContact O-N 2.95Å; A26-R30 VanDerWaalsContact O-N 3.16Å; A26-R30 PolarHBondContact O-NE 3.2Å; A27-R30 PolarHBondContact O-N 3.42Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 3.03Å; R30-E34 WeakPolarHBondContact O-CB 3.39Å; R30-E34 PolarHBondContact O-N 3.1Å |
| 31 | I | 88.5 | Confident | 81.5 | Confident | 111 Ų | 111 | 67.9 Ų | 67.9 | 57% | 0.569 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 177.7 | -64.2 | 168.6 | 0 | 0 | 0 | 110.9 | A27 L28 R29 E34 A35 | A27-I31 PolarHBondContact O-N 2.99Å; L28-I31 PolarHBondContact O-N 3.13Å; L28-I31 VanDerWaalsContact O-N 3.16Å; R29-I31 VanDerWaalsContact C-N 3.34Å; I31-E34 PolarHBondContact O-N 2.91Å; I31-A35 VanDerWaalsContact O-CB 3.32Å; I31-A35 WeakPolarHBondContact O-CB 3.34Å; I31-A35 PolarHBondContact O-N 3.14Å |
| 32 | T | 88.9 | Confident | 83.7 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 13% | 0.129 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.6 | -34.7 | -177.9 | 59 | 0 | 0 | 0 | 0 | 112.6 | L28 R29 M36 V134 | L28-T32 HydrophobicContact CD1-CG2 4.25Å; L28-T32 HydrophobicContact CG-CG2 4.16Å; L28-T32 WeakPolarHBondContact O-CG2 3.27Å; L28-T32 PolarHBondContact O-N 3.27Å; L28-T32 PolarHBondContact O-OG1 2.86Å; R29-T32 PolarHBondContact O-N 2.86Å; R29-T32 PolarHBondContact O-OG1 2.72Å; R29-T32 VanDerWaalsContact O-OG1 3.13Å; T32-M36 VanDerWaalsContact O-CB 3.32Å; T32-M36 WeakPolarHBondContact O-CB 3.43Å; T32-M36 PolarHBondContact O-N 2.8Å; T32-V134 WeakPolarHBondContact CB-O 3.17Å; T32-V134 HydrophobicContact CG2-CG1 4.34Å; T32-V134 WeakPolarHBondContact CG2-O 3.49Å |
| 33 | M | 88.3 | Confident | 85.9 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 14% | 0.138 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 173 | -73 | -68.8 | -76.2 | 0 | 0 | 112.1 | R29 M36 R37 A43 I44 C54 P136 | R29-M33 HydrophobicContact CG-CG 4.28Å; R29-M33 VanDerWaalsContact CZ-SD 3.55Å; R29-M33 PolarHBondContact NH2-SD 3.26Å; R29-M33 VanDerWaalsContact O-CB 3.31Å; R29-M33 WeakPolarHBondContact O-CB 3.39Å; R29-M33 WeakPolarHBondContact O-CG 3.48Å; R29-M33 PolarHBondContact O-N 3.1Å; M33-M36 PolarHBondContact O-N 2.85Å; M33-R37 PolarHBondContact O-N 3.27Å; M33-A43 HydrophobicContact CE-CB 3.72Å; M33-I44 WeakPolarHBondContact CE-O 3.3Å; M33-I44 VanDerWaalsContact SD-O 3.35Å; M33-C54 WeakPolarHBondContact CE-SG 3.48Å; M33-P136 HydrophobicContact SD-CB 3.8Å |
| 34 | E | 90.3 | Very high | 87.8 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.8 | 178.2 | 56.4 | -163.8 | 0 | 0 | 111.4 | R30 I31 M36 R37 Q38 | R30-E34 WeakPolarHBondContact O-CB 3.39Å; R30-E34 PolarHBondContact O-N 3.1Å; I31-E34 PolarHBondContact O-N 2.91Å; E34-M36 VanDerWaalsContact C-N 3.33Å; E34-M36 PolarHBondContact O-N 3.41Å; E34-R37 WeakPolarHBondContact O-CB 3.42Å; E34-R37 PolarHBondContact O-N 3.41Å; E34-R37 IonicContact OE1-CZ 3.33Å; E34-R37 IonicContact OE1-NE 2.84Å; E34-R37 IonicContact OE1-NH2 3.65Å; E34-R37 PolarHBondContact OE1-NH2 3.35Å; E34-R37 IonicContact OE2-CZ 2.88Å; E34-R37 IonicContact OE2-NE 3.95Å; E34-R37 PolarHBondContact OE2-NE 3.26Å; E34-R37 IonicContact OE2-NH2 2.72Å; E34-R37 PolarHBondContact OE2-NH2 3.12Å; E34-Q38 WeakPolarHBondContact O-CG 3.28Å; E34-Q38 PolarHBondContact O-N 3.12Å; E34-Q38 PolarHBondContact OE1-NE2 2.95Å |
| 35 | A | 89.5 | Confident | 89.2 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I31 Q38 A39 | I31-A35 VanDerWaalsContact O-CB 3.32Å; I31-A35 WeakPolarHBondContact O-CB 3.34Å; I31-A35 PolarHBondContact O-N 3.14Å; A35-Q38 PolarHBondContact O-N 3.04Å; A35-A39 WeakPolarHBondContact O-CB 3.25Å; A35-A39 PolarHBondContact O-N 3.44Å |
| 36 | M | 89.2 | Confident | 90 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.064 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -50 | 173.2 | 179.3 | -170.6 | 165.4 | 0 | 0 | 110.7 | T32 M33 E34 Q38 A39 I40 F42 I44 P136 L137 | T32-M36 VanDerWaalsContact O-CB 3.32Å; T32-M36 WeakPolarHBondContact O-CB 3.43Å; T32-M36 PolarHBondContact O-N 2.8Å; M33-M36 PolarHBondContact O-N 2.85Å; E34-M36 VanDerWaalsContact C-N 3.33Å; E34-M36 PolarHBondContact O-N 3.41Å; M36-Q38 VanDerWaalsContact C-N 3.31Å; M36-Q38 PolarHBondContact O-N 3.14Å; M36-A39 PolarHBondContact O-N 2.92Å; M36-I40 HydrophobicContact CE-CD1 3.8Å; M36-I40 HydrophobicContact CG-CD1 3.67Å; M36-I40 HydrophobicContact CG-CG1 3.79Å; M36-I40 WeakPolarHBondContact O-CG1 3.39Å; M36-I40 PolarHBondContact O-N 3.27Å; M36-F42 HydrophobicContact CE-CD2 3.46Å; M36-F42 VanDerWaalsContact CE-CD2 3.46Å; M36-F42 HydrophobicContact CE-CE2 3.22Å; M36-F42 HydrophobicContact CE-CG 4.39Å; M36-F42 HydrophobicContact CE-CZ 4.01Å; M36-F42 WeakPolarHBondContact CE-O 3.32Å; M36-F42 WeakPolarHBondContact CG-O 3.21Å; M36-I44 HydrophobicContact CE-CB 4.32Å; M36-I44 HydrophobicContact CE-CD1 4.17Å; M36-I44 HydrophobicContact CE-CG1 3.87Å; M36-I44 HydrophobicContact CE-CG2 4.08Å; M36-I44 HydrophobicContact SD-CG1 4.47Å; M36-P136 HydrophobicContact CB-CG 3.86Å; M36-P136 HydrophobicContact CG-CG 4.07Å; M36-P136 HydrophobicContact SD-CB 3.76Å; M36-P136 HydrophobicContact SD-CG 3.48Å; M36-P136 WeakPolarHBondContact SD-CG 3.27Å; M36-L137 HydrophobicContact CE-CD2 3.55Å; M36-L137 HydrophobicContact SD-CD2 4.16Å |
| 37 | R | 91.9 | Very high | 90.6 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.7 | -45.4 | 178.5 | -170.3 | -171.4 | 69.4 | 87.6 | 2.3 | 111.9 | M33 E34 G41 F42 A43 D55 | M33-R37 PolarHBondContact O-N 3.27Å; E34-R37 WeakPolarHBondContact O-CB 3.42Å; E34-R37 PolarHBondContact O-N 3.41Å; E34-R37 IonicContact OE1-CZ 3.33Å; E34-R37 IonicContact OE1-NE 2.84Å; E34-R37 IonicContact OE1-NH2 3.65Å; E34-R37 PolarHBondContact OE1-NH2 3.35Å; E34-R37 IonicContact OE2-CZ 2.88Å; E34-R37 IonicContact OE2-NE 3.95Å; E34-R37 PolarHBondContact OE2-NE 3.26Å; E34-R37 IonicContact OE2-NH2 2.72Å; E34-R37 PolarHBondContact OE2-NH2 3.12Å; R37-G41 WeakPolarHBondContact O-CA 3.34Å; R37-G41 PolarHBondContact O-N 3.18Å; R37-F42 WeakPolarHBondContact CA-O 3.43Å; R37-A43 HydrophobicContact CB-CB 4.43Å; R37-D55 WeakPolarHBondContact CD-OD2 3.45Å |
| 38 | Q | 93.9 | Very high | 90.9 | Very high | 139 Ų | 139 | 65.4 Ų | 65.4 | 65% | 0.65 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 178.7 | -69.6 | -179.1 | 5.4 | 0 | 0 | 112.6 | E34 A35 M36 | E34-Q38 WeakPolarHBondContact O-CG 3.28Å; E34-Q38 PolarHBondContact O-N 3.12Å; E34-Q38 PolarHBondContact OE1-NE2 2.95Å; A35-Q38 PolarHBondContact O-N 3.04Å; M36-Q38 VanDerWaalsContact C-N 3.31Å; M36-Q38 PolarHBondContact O-N 3.14Å |
| 39 | A | 92.3 | Very high | 91.2 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 69% | 0.694 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -78.6 | -38.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A35 M36 | A35-A39 WeakPolarHBondContact O-CB 3.25Å; A35-A39 PolarHBondContact O-N 3.44Å; M36-A39 PolarHBondContact O-N 2.92Å |
| 40 | I | 93.7 | Very high | 91.8 | Very high | 77 Ų | 77 | 65.1 Ų | 65.1 | 40% | 0.395 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -125.2 | 0.5 | -171.7 | 65.6 | 168.9 | 0 | 0 | 0 | 114.6 | M36 F42 L137 | M36-I40 HydrophobicContact CE-CD1 3.8Å; M36-I40 HydrophobicContact CG-CD1 3.67Å; M36-I40 HydrophobicContact CG-CG1 3.79Å; M36-I40 WeakPolarHBondContact O-CG1 3.39Å; M36-I40 PolarHBondContact O-N 3.27Å; I40-F42 HydrophobicContact CB-CE1 4.18Å; I40-F42 HydrophobicContact CD1-CD1 4.13Å; I40-F42 HydrophobicContact CD1-CE1 3.45Å; I40-F42 VanDerWaalsContact CD1-CE1 3.45Å; I40-F42 HydrophobicContact CD1-CE2 4.03Å; I40-F42 HydrophobicContact CD1-CZ 3.38Å; I40-F42 HydrophobicContact CG1-CD1 4.06Å; I40-F42 HydrophobicContact CG1-CE1 3.8Å; I40-F42 HydrophobicContact CG1-CZ 4.21Å; I40-F42 WeakPolarHBondContact O-CD1 3.26Å; I40-L137 HydrophobicContact CD1-CD1 4.48Å; I40-L137 HydrophobicContact CD1-CD2 4.08Å |
| 41 | G | 95.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 84.9 | 6.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | R37 G56 K57 | R37-G41 WeakPolarHBondContact O-CA 3.34Å; R37-G41 PolarHBondContact O-N 3.18Å; G41-G56 WeakPolarHBondContact O-CA 3.48Å; G41-K57 PolarHBondContact O-N 2.94Å |
| 42 | F | 96.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 164.9 | 176.1 | 67.2 | -85.9 | 0 | 0 | 0 | 111.4 | M36 R37 I40 I44 D55 I58 V63 V64 | M36-F42 HydrophobicContact CE-CD2 3.46Å; M36-F42 VanDerWaalsContact CE-CD2 3.46Å; M36-F42 HydrophobicContact CE-CE2 3.22Å; M36-F42 HydrophobicContact CE-CG 4.39Å; M36-F42 HydrophobicContact CE-CZ 4.01Å; M36-F42 WeakPolarHBondContact CE-O 3.32Å; M36-F42 WeakPolarHBondContact CG-O 3.21Å; R37-F42 WeakPolarHBondContact CA-O 3.43Å; I40-F42 HydrophobicContact CB-CE1 4.18Å; I40-F42 HydrophobicContact CD1-CD1 4.13Å; I40-F42 HydrophobicContact CD1-CE1 3.45Å; I40-F42 VanDerWaalsContact CD1-CE1 3.45Å; I40-F42 HydrophobicContact CD1-CE2 4.03Å; I40-F42 HydrophobicContact CD1-CZ 3.38Å; I40-F42 HydrophobicContact CG1-CD1 4.06Å; I40-F42 HydrophobicContact CG1-CE1 3.8Å; I40-F42 HydrophobicContact CG1-CZ 4.21Å; I40-F42 WeakPolarHBondContact O-CD1 3.26Å; F42-I44 HydrophobicContact CD2-CG2 3.74Å; F42-I44 HydrophobicContact CE2-CG2 3.78Å; F42-D55 CarbonylContact C-O 3.59Å; F42-D55 VanDerWaalsContact CA-O 3.3Å; F42-D55 WeakPolarHBondContact CA-O 3.3Å; F42-D55 WeakPolarHBondContact CB-O 3.27Å; F42-I58 HydrophobicContact CB-CG1 3.98Å; F42-I58 HydrophobicContact CD1-CD1 4.44Å; F42-I58 HydrophobicContact CD1-CG1 3.7Å; F42-I58 HydrophobicContact CD2-CD1 3.58Å; F42-I58 HydrophobicContact CD2-CG1 3.57Å; F42-I58 HydrophobicContact CE1-CD1 4.43Å; F42-I58 HydrophobicContact CE1-CG1 4.02Å; F42-I58 HydrophobicContact CE2-CD1 3.57Å; F42-I58 HydrophobicContact CE2-CG1 3.9Å; F42-I58 HydrophobicContact CG-CD1 4.05Å; F42-I58 HydrophobicContact CG-CG1 3.47Å; F42-I58 VanDerWaalsContact CG-CG1 3.47Å; F42-I58 HydrophobicContact CZ-CD1 4.02Å; F42-I58 HydrophobicContact CZ-CG1 4.12Å; F42-V63 WeakPolarHBondContact CZ-O 3.13Å; F42-V64 HydrophobicContact CE2-CG1 4.47Å |
| 43 | A | 95.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | M33 R37 I53 C54 D55 | M33-A43 HydrophobicContact CE-CB 3.72Å; R37-A43 HydrophobicContact CB-CB 4.43Å; A43-I53 CarbonylContact O-C 3.54Å; A43-I53 WeakPolarHBondContact O-CA 3.45Å; A43-C54 VanDerWaalsContact C-SG 3.56Å; A43-C54 VanDerWaalsContact CB-SG 3.59Å; A43-C54 PolarHBondContact O-N 2.8Å; A43-C54 PolarHBondContact O-SG 2.98Å; A43-C54 VanDerWaalsContact O-SG 3.35Å; A43-D55 HydrophobicContact CB-CB 4.28Å; A43-D55 PolarHBondContact N-O 3.27Å; A43-D55 PolarHBondContact O-N 2.86Å |
| 44 | I | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.9 | 178.8 | 71 | -169.5 | 0 | 0 | 0 | 112.1 | R29 M33 M36 F42 V51 V52 I53 V64 C65 L137 V139 | R29-I44 PolarHBondContact NH2-O 3.29Å; M33-I44 WeakPolarHBondContact CE-O 3.3Å; M33-I44 VanDerWaalsContact SD-O 3.35Å; M36-I44 HydrophobicContact CE-CB 4.32Å; M36-I44 HydrophobicContact CE-CD1 4.17Å; M36-I44 HydrophobicContact CE-CG1 3.87Å; M36-I44 HydrophobicContact CE-CG2 4.08Å; M36-I44 HydrophobicContact SD-CG1 4.47Å; F42-I44 HydrophobicContact CD2-CG2 3.74Å; F42-I44 HydrophobicContact CE2-CG2 3.78Å; I44-V51 HydrophobicContact CB-CG1 3.94Å; I44-V51 HydrophobicContact CD1-CG1 4.15Å; I44-V51 HydrophobicContact CG1-CG1 4.18Å; I44-V52 CarbonylContact C-O 3.57Å; I44-V52 VanDerWaalsContact CA-O 3.27Å; I44-V52 WeakPolarHBondContact CA-O 3.16Å; I44-I53 HydrophobicContact CG2-CG1 4.29Å; I44-V64 VanDerWaalsContact CD1-O 3.27Å; I44-V64 WeakPolarHBondContact CD1-O 3.32Å; I44-C65 HydrophobicContact CD1-CB 3.89Å; I44-L137 HydrophobicContact CD1-CD2 4.13Å; I44-V139 HydrophobicContact CD1-CG2 3.8Å; I44-V139 HydrophobicContact CG1-CG2 4.35Å |
| 45 | E | 92.4 | Very high | 93.7 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.2 | 179.2 | -173.4 | 174.3 | -166.1 | 0 | 0 | 111.3 | V51 V52 C54 | E45-V51 CarbonylContact O-C 3.55Å; E45-V51 WeakPolarHBondContact O-CA 3.45Å; E45-V52 PolarHBondContact N-O 3.15Å; E45-V52 PolarHBondContact O-N 3.5Å; E45-C54 HydrophobicContact CB-CB 4.48Å |
| 46 | R | 92.6 | Very high | 94 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 121 | 166.7 | 177.1 | -168.5 | 172.9 | -172.4 | -0.8 | 108.6 | V139 Y142 | R46-V139 HydrophobicContact CB-CG1 4.33Å; R46-Y142 HydrophobicContact CG-CD2 4Å; R46-Y142 HydrophobicContact CG-CG 4.15Å; R46-Y142 VanDerWaalsContact CZ-CE1 3.43Å; R46-Y142 VanDerWaalsContact NH1-CZ 3.33Å; R46-Y142 PolarHBondContact NH1-OH 3.33Å; R46-Y142 VanDerWaalsContact NH1-OH 3.14Å; R46-Y142 VanDerWaalsContact NH2-CE1 3.26Å; R46-Y142 PolarHBondContact NH2-OH 3.48Å |
| 47 | T | 91.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | trans | -106.1 | 176.8 | 172.5 | 72.9 | 0 | 0 | 0 | 0 | 110.5 | S49 G50 V52 | T47-S49 PolarHBondContact O-N 2.98Å; T47-S49 PolarHBondContact OG1-N 3.42Å; T47-S49 PolarHBondContact OG1-OG 3.14Å; T47-G50 PolarHBondContact N-O 2.85Å; T47-G50 PolarHBondContact OG1-N 2.95Å; T47-G50 VanDerWaalsContact OG1-N 3.17Å; T47-G50 PolarHBondContact OG1-O 3.08Å; T47-V52 HydrophobicContact CG2-CB 4.37Å; T47-V52 HydrophobicContact CG2-CG2 3.97Å | ||
| 48 | S | 90.4 | Very high | 94.6 | Very high | 137 Ų | 137 | 51.3 Ų | 51.3 | 96% | 0.958 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -61.9 | -24.8 | 173 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 49 | S | 90.3 | Very high | 94.8 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -106.2 | -11.7 | -175.4 | 71.9 | 0 | 0 | 0 | 0 | 113.8 | T47 T144 K206 | T47-S49 PolarHBondContact O-N 2.98Å; T47-S49 PolarHBondContact OG1-N 3.42Å; T47-S49 PolarHBondContact OG1-OG 3.14Å; S49-T144 WeakPolarHBondContact O-CG2 3.19Å; S49-K206 WeakPolarHBondContact O-CE 3.45Å; S49-K206 PolarHBondContact O-NZ 2.77Å |
| 50 | G | 94.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 52 Ų | 52 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 161.2 | -140.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | T47 Y142 | T47-G50 PolarHBondContact N-O 2.85Å; T47-G50 PolarHBondContact OG1-N 2.95Å; T47-G50 VanDerWaalsContact OG1-N 3.17Å; T47-G50 PolarHBondContact OG1-O 3.08Å; G50-Y142 VanDerWaalsContact CA-O 3.29Å; G50-Y142 WeakPolarHBondContact CA-O 3.2Å |
| 51 | V | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.7 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | I44 E45 V139 V143 K206 L207 | I44-V51 HydrophobicContact CB-CG1 3.94Å; I44-V51 HydrophobicContact CD1-CG1 4.15Å; I44-V51 HydrophobicContact CG1-CG1 4.18Å; E45-V51 CarbonylContact O-C 3.55Å; E45-V51 WeakPolarHBondContact O-CA 3.45Å; V51-V139 HydrophobicContact CG1-CG2 4.07Å; V51-V139 HydrophobicContact CG2-CB 4.25Å; V51-V139 HydrophobicContact CG2-CG2 4.06Å; V51-V143 HydrophobicContact CB-CG2 4.26Å; V51-V143 HydrophobicContact CG2-CG2 3.95Å; V51-K206 CarbonylContact O-C 3.51Å; V51-K206 WeakPolarHBondContact O-CA 3.35Å; V51-K206 VanDerWaalsContact O-CG 3.29Å; V51-K206 WeakPolarHBondContact O-CG 3.44Å; V51-L207 HydrophobicContact CB-CB 4.36Å; V51-L207 HydrophobicContact CB-CD1 3.97Å; V51-L207 HydrophobicContact CB-CG 4.29Å; V51-L207 HydrophobicContact CG1-CD1 3.59Å; V51-L207 HydrophobicContact CG1-CG 4.18Å; V51-L207 PolarHBondContact O-N 3.13Å |
| 52 | V | 96.7 | Very high | 95.3 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 145.2 | -176.6 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | I44 E45 T47 C54 K206 | I44-V52 CarbonylContact C-O 3.57Å; I44-V52 VanDerWaalsContact CA-O 3.27Å; I44-V52 WeakPolarHBondContact CA-O 3.16Å; E45-V52 PolarHBondContact N-O 3.15Å; E45-V52 PolarHBondContact O-N 3.5Å; T47-V52 HydrophobicContact CG2-CB 4.37Å; T47-V52 HydrophobicContact CG2-CG2 3.97Å; V52-C54 PolarHBondContact O-N 3.37Å; V52-K206 HydrophobicContact CG2-CB 4.27Å; V52-K206 HydrophobicContact CG2-CG 4.15Å |
| 53 | I | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 109 | 169.4 | -54.6 | 171.1 | 0 | 0 | 0 | 107.2 | A43 I44 D55 I58 I201 A203 G204 E205 L207 | A43-I53 CarbonylContact O-C 3.54Å; A43-I53 WeakPolarHBondContact O-CA 3.45Å; I44-I53 HydrophobicContact CG2-CG1 4.29Å; I53-D55 WeakPolarHBondContact CG2-O 3Å; I53-I58 HydrophobicContact CD1-CB 4.46Å; I53-I58 HydrophobicContact CD1-CD1 3.51Å; I53-I58 HydrophobicContact CD1-CG1 3.84Å; I53-I58 HydrophobicContact CG1-CD1 3.85Å; I53-I58 HydrophobicContact CG1-CG1 4.46Å; I53-I201 HydrophobicContact CD1-CB 3.49Å; I53-I201 VanDerWaalsContact CD1-CB 3.49Å; I53-I201 HydrophobicContact CD1-CG2 3.29Å; I53-A203 HydrophobicContact CG2-CB 4.43Å; I53-G204 PolarHBondContact O-N 2.98Å; I53-E205 PolarHBondContact N-O 3.11Å; I53-L207 HydrophobicContact CD1-CD2 4.09Å; I53-L207 HydrophobicContact CG1-CD2 3.95Å |
| 54 | C | 94.7 | Very high | 95.3 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -25.3 | -178.9 | 60.3 | 0 | 0 | 0 | 0 | 112.3 | M33 A43 E45 V52 | M33-C54 WeakPolarHBondContact CE-SG 3.48Å; A43-C54 VanDerWaalsContact C-SG 3.56Å; A43-C54 VanDerWaalsContact CB-SG 3.59Å; A43-C54 PolarHBondContact O-N 2.8Å; A43-C54 PolarHBondContact O-SG 2.98Å; A43-C54 VanDerWaalsContact O-SG 3.35Å; E45-C54 HydrophobicContact CB-CB 4.48Å; V52-C54 PolarHBondContact O-N 3.37Å |
| 55 | D | 95.5 | Very high | 95.4 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 155.5 | 179.4 | -164.5 | 8.9 | 0 | 0 | 0 | 111.9 | R37 F42 A43 I53 | R37-D55 WeakPolarHBondContact CD-OD2 3.45Å; F42-D55 CarbonylContact C-O 3.59Å; F42-D55 VanDerWaalsContact CA-O 3.3Å; F42-D55 WeakPolarHBondContact CA-O 3.3Å; F42-D55 WeakPolarHBondContact CB-O 3.27Å; A43-D55 HydrophobicContact CB-CB 4.28Å; A43-D55 PolarHBondContact N-O 3.27Å; A43-D55 PolarHBondContact O-N 2.86Å; I53-D55 WeakPolarHBondContact CG2-O 3Å |
| 56 | G | 96.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.5 | -157.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G41 A203 | G41-G56 WeakPolarHBondContact O-CA 3.48Å; G56-A203 PolarHBondContact O-N 2.84Å |
| 57 | K | 96.2 | Very high | 95.9 | Very high | 83 Ų | 83 | 48.8 Ų | 48.8 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 133.7 | -176.9 | -177.1 | 179.2 | 174.2 | -180 | 0 | 110.7 | G41 D200 I201 | G41-K57 PolarHBondContact O-N 2.94Å; K57-D200 WeakPolarHBondContact CE-OD2 3.3Å; K57-D200 IonicContact NZ-OD2 3.26Å; K57-D200 PolarHBondContact NZ-OD2 3.48Å; K57-I201 WeakPolarHBondContact CG-O 3.28Å |
| 58 | I | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131 | 173.4 | -57.7 | -175.4 | 0 | 0 | 0 | 108.8 | F42 I53 V64 A197 D200 I201 L207 | F42-I58 HydrophobicContact CB-CG1 3.98Å; F42-I58 HydrophobicContact CD1-CD1 4.44Å; F42-I58 HydrophobicContact CD1-CG1 3.7Å; F42-I58 HydrophobicContact CD2-CD1 3.58Å; F42-I58 HydrophobicContact CD2-CG1 3.57Å; F42-I58 HydrophobicContact CE1-CD1 4.43Å; F42-I58 HydrophobicContact CE1-CG1 4.02Å; F42-I58 HydrophobicContact CE2-CD1 3.57Å; F42-I58 HydrophobicContact CE2-CG1 3.9Å; F42-I58 HydrophobicContact CG-CD1 4.05Å; F42-I58 HydrophobicContact CG-CG1 3.47Å; F42-I58 VanDerWaalsContact CG-CG1 3.47Å; F42-I58 HydrophobicContact CZ-CD1 4.02Å; F42-I58 HydrophobicContact CZ-CG1 4.12Å; I53-I58 HydrophobicContact CD1-CB 4.46Å; I53-I58 HydrophobicContact CD1-CD1 3.51Å; I53-I58 HydrophobicContact CD1-CG1 3.84Å; I53-I58 HydrophobicContact CG1-CD1 3.85Å; I53-I58 HydrophobicContact CG1-CG1 4.46Å; I58-V64 HydrophobicContact CD1-CB 4.24Å; I58-V64 HydrophobicContact CD1-CG1 3.5Å; I58-V64 HydrophobicContact CD1-CG2 3.92Å; I58-V64 HydrophobicContact CG2-CG2 3.74Å; I58-A197 HydrophobicContact CG2-CB 3.53Å; I58-D200 CarbonylContact O-C 3.59Å; I58-D200 VanDerWaalsContact O-CA 3.29Å; I58-D200 WeakPolarHBondContact O-CA 3.21Å; I58-I201 HydrophobicContact CB-CB 4.14Å; I58-I201 HydrophobicContact CB-CD1 4.47Å; I58-I201 HydrophobicContact CB-CG1 4.28Å; I58-I201 HydrophobicContact CD1-CD1 4.47Å; I58-I201 HydrophobicContact CG2-CD1 4.4Å; I58-I201 HydrophobicContact CG2-CG1 4.49Å; I58-I201 PolarHBondContact N-O 3.29Å; I58-I201 PolarHBondContact O-N 3.07Å; I58-L207 HydrophobicContact CD1-CD2 4.4Å |
| 59 | K | 97.5 | Very high | 96.5 | Very high | 116 Ų | 116 | 40.1 Ų | 40.1 | 50% | 0.504 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -86.3 | 149.4 | 172.9 | -67.5 | -68.1 | -177.1 | 167.7 | 0 | 110.6 | N61 S62 A197 D200 | K59-N61 PolarHBondContact O-N 2.9Å; K59-S62 VanDerWaalsContact O-CB 3.25Å; K59-S62 WeakPolarHBondContact O-CB 3.23Å; K59-S62 PolarHBondContact O-N 2.87Å; K59-S62 VanDerWaalsContact O-N 3.11Å; K59-S62 PolarHBondContact O-OG 3.43Å; K59-S62 VanDerWaalsContact O-OG 3.12Å; K59-A197 WeakPolarHBondContact O-CB 3.31Å; K59-D200 WeakPolarHBondContact CA-OD1 3.21Å; K59-D200 IonicContact NZ-OD2 2.69Å |
| 60 | K | 97.6 | Very high | 96.7 | Very high | 123 Ų | 123 | 36.9 Ų | 36.9 | 54% | 0.535 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 139.8 | 170.5 | -177.9 | 175.2 | 179.4 | -179.7 | 0 | 110.5 | S62 S198 D200 | K60-S62 PolarHBondContact O-N 3.11Å; K60-S198 WeakPolarHBondContact CE-O 3.5Å; K60-D200 PolarHBondContact N-OD1 2.78Å |
| 61 | N | 96.6 | Very high | 96.6 | Very high | 105 Ų | 105 | 37.1 Ų | 37.1 | 56% | 0.561 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | -1.8 | -177.7 | -55.1 | -37.2 | 0 | 0 | 0 | 116.3 | K59 A197 | K59-N61 PolarHBondContact O-N 2.9Å; N61-A197 WeakPolarHBondContact CA-O 3.5Å; N61-A197 PolarHBondContact N-O 3.12Å |
| 62 | S | 97.1 | Very high | 96.3 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | trans | -67.9 | 144.9 | 172.9 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | K59 K60 V64 T196 A197 | K59-S62 VanDerWaalsContact O-CB 3.25Å; K59-S62 WeakPolarHBondContact O-CB 3.23Å; K59-S62 PolarHBondContact O-N 2.87Å; K59-S62 VanDerWaalsContact O-N 3.11Å; K59-S62 PolarHBondContact O-OG 3.43Å; K59-S62 VanDerWaalsContact O-OG 3.12Å; K60-S62 PolarHBondContact O-N 3.11Å; S62-V64 WeakPolarHBondContact O-CG2 3.43Å; S62-V64 PolarHBondContact O-N 3.3Å; S62-T196 CarbonylContact O-C 3.58Å; S62-T196 WeakPolarHBondContact O-CA 3.22Å; S62-A197 PolarHBondContact O-N 3.24Å | ||
| 63 | V | 96.9 | Very high | 96 | Very high | 68 Ų | 68 | 38 Ų | 38 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 129.1 | 166.7 | 175.4 | 0 | 0 | 0 | 0 | 108.6 | F42 V194 T196 | F42-V63 WeakPolarHBondContact CZ-O 3.13Å; V63-V194 HydrophobicContact CG1-CB 4.2Å; V63-V194 HydrophobicContact CG1-CG1 4.44Å; V63-V194 HydrophobicContact CG2-CG2 4.42Å; V63-T196 HydrophobicContact CG2-CG2 4.21Å |
| 64 | V | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -43.3 | -174.1 | -179 | 0 | 0 | 0 | 0 | 111.8 | F42 I44 I58 S62 L137 V152 L195 A197 L207 | F42-V64 HydrophobicContact CE2-CG1 4.47Å; I44-V64 VanDerWaalsContact CD1-O 3.27Å; I44-V64 WeakPolarHBondContact CD1-O 3.32Å; I58-V64 HydrophobicContact CD1-CB 4.24Å; I58-V64 HydrophobicContact CD1-CG1 3.5Å; I58-V64 HydrophobicContact CD1-CG2 3.92Å; I58-V64 HydrophobicContact CG2-CG2 3.74Å; S62-V64 WeakPolarHBondContact O-CG2 3.43Å; S62-V64 PolarHBondContact O-N 3.3Å; V64-L137 WeakPolarHBondContact O-CD2 3.43Å; V64-V152 HydrophobicContact CB-CG1 4.34Å; V64-V152 HydrophobicContact CG1-CG1 4.39Å; V64-V152 HydrophobicContact CG2-CG1 4.07Å; V64-L195 WeakPolarHBondContact CB-O 3.36Å; V64-L195 PolarHBondContact N-O 2.74Å; V64-A197 HydrophobicContact CG2-CB 3.84Å; V64-L207 HydrophobicContact CG1-CD1 3.28Å; V64-L207 HydrophobicContact CG1-CD2 3.72Å; V64-L207 HydrophobicContact CG1-CG 4.14Å |
| 65 | C | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 170 | 175.3 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | I44 L137 V139 L195 | I44-C65 HydrophobicContact CD1-CB 3.89Å; C65-L137 CarbonylContact C-O 3.54Å; C65-L137 WeakPolarHBondContact CA-O 3.36Å; C65-L137 VanDerWaalsContact CB-O 3.25Å; C65-L137 WeakPolarHBondContact CB-O 3.25Å; C65-V139 HydrophobicContact CB-CG2 4.07Å; C65-L195 PolarHBondContact O-N 3.27Å |
| 66 | I | 97.7 | Very high | 94.2 | Very high | 20 Ų | 20 | 43 Ų | 43 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.4 | -178.6 | -52.1 | 173.7 | 0 | 0 | 0 | 107.6 | P68 L137 V139 G140 P173 V194 | I66-P68 WeakPolarHBondContact O-CD 3.03Å; I66-L137 HydrophobicContact CD1-CB 4.36Å; I66-L137 HydrophobicContact CG1-CB 4.23Å; I66-L137 PolarHBondContact N-O 2.88Å; I66-V139 PolarHBondContact O-N 3.33Å; I66-G140 WeakPolarHBondContact O-CA 3.3Å; I66-G140 PolarHBondContact O-N 3.1Å; I66-P173 HydrophobicContact CB-CG 3.98Å; I66-P173 HydrophobicContact CD1-CG 4.4Å; I66-P173 HydrophobicContact CG2-CG 3.58Å; I66-V194 HydrophobicContact CG1-CG1 4.34Å |
| 67 | Y | 97.7 | Very high | 93 | Very high | 13 Ų | 13 | 47 Ų | 47 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 112.7 | 170.1 | -160.9 | -85.5 | 0 | 0 | 0 | 108.4 | Y87 I97 A99 Q141 F154 V193 | Y67-Y87 WeakPolarHBondContact OH-CA 3.39Å; Y67-Y87 PolarHBondContact OH-O 2.85Å; Y67-I97 HydrophobicContact CD1-CB 4.31Å; Y67-I97 HydrophobicContact CD1-CG2 4.04Å; Y67-I97 HydrophobicContact CE1-CB 4.45Å; Y67-I97 HydrophobicContact CE1-CG2 4.38Å; Y67-A99 HydrophobicContact CD1-CB 4.03Å; Y67-A99 HydrophobicContact CE1-CB 3.43Å; Y67-A99 VanDerWaalsContact CE1-CB 3.43Å; Y67-Q141 HydrophobicContact CD2-CB 4.29Å; Y67-Q141 HydrophobicContact CE2-CB 3.86Å; Y67-F154 AromaticContact CD2-CE1 3.83Å; Y67-F154 HydrophobicContact CD2-CE1 3.83Å; Y67-F154 HydrophobicContact CE2-CE1 4.32Å; Y67-V193 WeakPolarHBondContact CB-O 3.37Å; Y67-V193 HydrophobicContact CG-CG1 4.46Å; Y67-V193 PolarHBondContact N-O 2.84Å |
| 68 | P | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -81.9 | 174.4 | -175.1 | 37.3 | -37.6 | 0 | 0 | 0 | 111.1 | I66 I97 A99 W128 Q141 P173 | I66-P68 WeakPolarHBondContact O-CD 3.03Å; P68-I97 VanDerWaalsContact O-CG2 3.27Å; P68-I97 WeakPolarHBondContact O-CG2 3.32Å; P68-A99 HydrophobicContact CG-CB 4.16Å; P68-A99 WeakPolarHBondContact O-CB 3.48Å; P68-W128 HydrophobicContact CB-CB 4.18Å; P68-W128 HydrophobicContact CB-CD2 3.48Å; P68-W128 VanDerWaalsContact CB-CD2 3.48Å; P68-W128 HydrophobicContact CB-CE3 3.68Å; P68-W128 HydrophobicContact CB-CG 3.7Å; P68-W128 HydrophobicContact CB-CZ2 4.5Å; P68-W128 HydrophobicContact CB-CZ3 4.28Å; P68-W128 HydrophobicContact CG-CD2 3.82Å; P68-W128 HydrophobicContact CG-CE3 3.44Å; P68-W128 VanDerWaalsContact CG-CE3 3.44Å; P68-W128 HydrophobicContact CG-CG 4.32Å; P68-W128 HydrophobicContact CG-CZ3 3.88Å; P68-Q141 VanDerWaalsContact CD-OE1 3.25Å; P68-Q141 VanDerWaalsContact CG-CD 3.43Å; P68-Q141 HydrophobicContact CG-CG 4.4Å; P68-Q141 VanDerWaalsContact CG-NE2 3.35Å; P68-P173 CarbonylContact C-O 3.56Å; P68-P173 VanDerWaalsContact CA-O 3.24Å; P68-P173 WeakPolarHBondContact CA-O 3.48Å; P68-P173 HydrophobicContact CB-CB 3.77Å; P68-P173 HydrophobicContact CB-CG 4.22Å; P68-P173 WeakPolarHBondContact CB-O 3.29Å | ||
| 69 | G | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 132 | -179.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D98 Y109 P173 S174 V175 | G69-D98 CarbonylContact C-O 3.53Å; G69-D98 WeakPolarHBondContact CA-O 3.12Å; G69-Y109 VanDerWaalsContact C-CE2 3.45Å; G69-Y109 WeakPolarHBondContact O-CE2 3.11Å; G69-P173 PolarHBondContact N-O 2.84Å; G69-S174 VanDerWaalsContact O-CA 3.32Å; G69-S174 WeakPolarHBondContact O-CA 3.2Å; G69-V175 PolarHBondContact O-N 2.81Å |
| 70 | T | 94.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.2 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | Y72 I97 D98 I108 Y109 V175 Y177 | T70-Y72 HydrophobicContact CG2-CD2 4.24Å; T70-Y72 HydrophobicContact CG2-CE1 4.28Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 VanDerWaalsContact O-CD2 3.31Å; T70-Y72 WeakPolarHBondContact O-CD2 3.2Å; T70-Y72 WeakPolarHBondContact O-CE2 3.21Å; T70-I97 WeakPolarHBondContact O-CA 3.41Å; T70-D98 PolarHBondContact N-O 3.42Å; T70-D98 PolarHBondContact O-N 2.75Å; T70-I108 HydrophobicContact CG2-CG2 4.16Å; T70-Y109 WeakPolarHBondContact OG1-CA 3.33Å; T70-Y109 WeakPolarHBondContact OG1-CB 3.34Å; T70-Y109 WeakPolarHBondContact OG1-CD2 3.44Å; T70-V175 CarbonylContact C-O 3.57Å; T70-V175 WeakPolarHBondContact CA-O 3.31Å; T70-V175 HydrophobicContact CG2-CG1 4.45Å; T70-Y177 HydrophobicContact CG2-CD2 4.32Å; T70-Y177 HydrophobicContact CG2-CG 4.48Å |
| 71 | V | 93.6 | Very high | 86.7 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.6 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | E96 I97 V175 Y177 L190 R191 | V71-E96 CarbonylContact C-O 3.59Å; V71-E96 WeakPolarHBondContact CA-O 3.34Å; V71-I97 HydrophobicContact CG2-CD1 4.35Å; V71-I97 HydrophobicContact CG2-CG1 4.24Å; V71-V175 PolarHBondContact N-O 3.14Å; V71-Y177 WeakPolarHBondContact O-CB 3.44Å; V71-Y177 PolarHBondContact O-N 2.99Å; V71-L190 HydrophobicContact CG2-CD1 4.22Å; V71-R191 HydrophobicContact CG1-CB 3.93Å |
| 72 | Y | 91.5 | Very high | 84.6 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.4 | 175.2 | -61.8 | -94.4 | 0 | 0 | 0 | 110.3 | T70 E76 M95 E96 D98 I108 Y177 | T70-Y72 HydrophobicContact CG2-CD2 4.24Å; T70-Y72 HydrophobicContact CG2-CE1 4.28Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 VanDerWaalsContact O-CD2 3.31Å; T70-Y72 WeakPolarHBondContact O-CD2 3.2Å; T70-Y72 WeakPolarHBondContact O-CE2 3.21Å; Y72-E76 WeakPolarHBondContact CA-OE2 3.4Å; Y72-E76 HydrophobicContact CD1-CB 4.45Å; Y72-M95 VanDerWaalsContact O-CA 3.31Å; Y72-M95 WeakPolarHBondContact O-CA 3.43Å; Y72-M95 WeakPolarHBondContact O-CB 3.44Å; Y72-E96 PolarHBondContact N-O 2.75Å; Y72-E96 PolarHBondContact O-N 2.86Å; Y72-D98 HydrophobicContact CE2-CB 3.88Å; Y72-I108 WeakPolarHBondContact OH-CG2 3.49Å; Y72-Y177 VanDerWaalsContact CD1-CB 3.45Å; Y72-Y177 AromaticContact CD1-CD1 3.65Å; Y72-Y177 HydrophobicContact CD1-CD1 3.65Å; Y72-Y177 HydrophobicContact CD1-CD2 4.12Å; Y72-Y177 HydrophobicContact CD1-CE1 4.43Å; Y72-Y177 AromaticContact CD1-CG 3.46Å; Y72-Y177 HydrophobicContact CD1-CG 3.46Å; Y72-Y177 VanDerWaalsContact CD1-CG 3.46Å; Y72-Y177 AromaticContact CE1-CD1 3.74Å; Y72-Y177 HydrophobicContact CE1-CD1 3.74Å; Y72-Y177 AromaticContact CE1-CD2 3.42Å; Y72-Y177 HydrophobicContact CE1-CD2 3.42Å; Y72-Y177 VanDerWaalsContact CE1-CD2 3.42Å; Y72-Y177 HydrophobicContact CE1-CE1 4.28Å; Y72-Y177 HydrophobicContact CE1-CE2 4Å; Y72-Y177 AromaticContact CE1-CG 3.26Å; Y72-Y177 HydrophobicContact CE1-CG 3.26Å |
| 73 | S | 89.5 | Confident | 82.5 | Confident | 47 Ų | 47 | 46 Ų | 46 | 33% | 0.329 | 26% | 0.264 | S | S | . | . | trans | -65.8 | 155.1 | 168.8 | -47.8 | 0 | 0 | 0 | 0 | 110.2 | N75 E76 | S73-N75 PolarHBondContact O-N 2.82Å; S73-E76 WeakPolarHBondContact CB-OE1 3.25Å; S73-E76 VanDerWaalsContact N-CD 3.31Å; S73-E76 PolarHBondContact N-OE2 3.27Å; S73-E76 PolarHBondContact O-N 3.04Å; S73-E76 PolarHBondContact OG-OE1 3.23Å | ||
| 74 | A | 86.3 | Confident | 80.8 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 38% | 0.38 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 75 | N | 81.7 | Confident | 79.7 | Confident | 162 Ų | 162 | 56.1 Ų | 56.1 | 87% | 0.866 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 1.2 | -176.3 | -61.6 | -32.4 | 0 | 0 | 0 | 114.3 | S73 | S73-N75 PolarHBondContact O-N 2.82Š|
| 76 | E | 82 | Confident | 79 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -80 | 145.4 | -178 | -75.5 | 167.3 | -173.1 | 0 | 0 | 111.8 | Y72 S73 K78 Y177 F178 | Y72-E76 WeakPolarHBondContact CA-OE2 3.4Å; Y72-E76 HydrophobicContact CD1-CB 4.45Å; S73-E76 WeakPolarHBondContact CB-OE1 3.25Å; S73-E76 VanDerWaalsContact N-CD 3.31Å; S73-E76 PolarHBondContact N-OE2 3.27Å; S73-E76 PolarHBondContact O-N 3.04Å; S73-E76 PolarHBondContact OG-OE1 3.23Å; E76-K78 WeakPolarHBondContact O-CG 3.05Å; E76-K78 PolarHBondContact O-N 3.16Å; E76-Y177 HydrophobicContact CB-CD1 4.26Å; E76-Y177 HydrophobicContact CG-CD1 4.32Å; E76-Y177 WeakPolarHBondContact OE2-CD1 3.37Å; E76-F178 WeakPolarHBondContact OE1-CB 3.3Å |
| 77 | T | 70.6 | Confident | 78.7 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | trans | -71.2 | 121.6 | 175.9 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 78 | K | 72 | Confident | 78.4 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | trans | -101.2 | 104.9 | -174.6 | -58 | 150.1 | -176.2 | -175 | 0 | 109.4 | E76 S81 E96 | E76-K78 WeakPolarHBondContact O-CG 3.05Å; E76-K78 PolarHBondContact O-N 3.16Å; K78-S81 WeakPolarHBondContact CB-OG 3.44Å; K78-S81 WeakPolarHBondContact CD-OG 3.42Å; K78-E96 WeakPolarHBondContact CD-OE2 3.15Å; K78-E96 IonicContact NZ-OE1 3.64Å; K78-E96 PolarHBondContact NZ-OE1 3.1Å; K78-E96 IonicContact NZ-OE2 3.87Å | ||
| 79 | I | 65.1 | Low | 78.2 | Confident | 77 Ų | 77 | 67 Ų | 67 | 40% | 0.395 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -78.4 | -31.2 | -178 | -52.5 | 172.9 | 0 | 0 | 0 | 111.2 | V82 L104 | I79-V82 WeakPolarHBondContact O-CG2 3.42Å; I79-L104 HydrophobicContact CB-CD2 4.37Å; I79-L104 HydrophobicContact CG2-CD2 3.53Å |
| 80 | C | 61.6 | Low | 78 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -103.6 | -14.5 | -174 | -65.9 | 0 | 0 | 0 | 0 | 115.2 | V82 D98 A105 | C80-V82 PolarHBondContact O-N 3.21Å; C80-D98 WeakPolarHBondContact CB-OD2 3.39Å; C80-A105 HydrophobicContact CB-CB 4.33Å |
| 81 | S | 58.3 | Low | 77.9 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | trans | -82.9 | -0.2 | -177 | 78.5 | 0 | 0 | 0 | 0 | 114 | K78 L83 E96 | K78-S81 WeakPolarHBondContact CB-OG 3.44Å; K78-S81 WeakPolarHBondContact CD-OG 3.42Å; S81-L83 VanDerWaalsContact C-N 3.31Å; S81-L83 PolarHBondContact O-N 3.43Å; S81-L83 VanDerWaalsContact O-N 3.1Å; S81-E96 WeakPolarHBondContact CB-OE2 3.44Å; S81-E96 PolarHBondContact OG-OE2 3.22Å | ||
| 82 | V | 52.3 | Low | 77.8 | Confident | 104 Ų | 104 | 81 Ų | 81 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -65.7 | -22 | -160.5 | -129.7 | 0 | 0 | 0 | 0 | 115.1 | I79 C80 | I79-V82 WeakPolarHBondContact O-CG2 3.42Å; C80-V82 PolarHBondContact O-N 3.21Å |
| 83 | L | 52.9 | Low | 77.8 | Confident | 152 Ų | 152 | 84.5 Ų | 84.5 | 80% | 0.796 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -151.5 | 115.8 | 175.4 | -69.9 | 172.1 | 0 | 0 | 0 | 112.2 | S81 N85 | S81-L83 VanDerWaalsContact C-N 3.31Å; S81-L83 PolarHBondContact O-N 3.43Å; S81-L83 VanDerWaalsContact O-N 3.1Å; L83-N85 PolarHBondContact O-N 3.36Å |
| 84 | R | 61.4 | Low | 77.8 | Confident | 245 Ų | 245 | 83.8 Ų | 83.8 | 93% | 0.925 | 42% | 0.424 | S | S | * | . | trans | 51.6 | 27 | 159.1 | -56.5 | 176.8 | 73 | -169.9 | 3.8 | 116.2 | R86 | R84-R86 PolarHBondContact O-N 3.08Å; R84-R86 VanDerWaalsContact O-N 3.1Å | ||
| 85 | N | 73.7 | Confident | 78 | Confident | 35 Ų | 35 | 84 Ų | 84 | 19% | 0.187 | 42% | 0.418 | C | S | . | . | trans | -69.5 | 110.7 | 175.6 | -177.7 | -2.4 | 0 | 0 | 0 | 109.4 | L83 Y87 V88 D98 | L83-N85 PolarHBondContact O-N 3.36Å; N85-Y87 PolarHBondContact O-N 2.89Å; N85-Y87 WeakPolarHBondContact OD1-CB 3.44Å; N85-Y87 PolarHBondContact OD1-N 3.39Å; N85-V88 HydrophobicContact CB-CG2 3.87Å; N85-V88 PolarHBondContact O-N 2.77Å; N85-D98 PolarHBondContact ND2-OD1 3.28Å; N85-D98 VanDerWaalsContact ND2-OD1 3.15Å | ||
| 86 | R | 83.5 | Confident | 78.5 | Confident | 183 Ų | 183 | 77 Ų | 77 | 69% | 0.691 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11.9 | 177.9 | 62.1 | 176.5 | -98.4 | -175.5 | -5.9 | 114.3 | R84 | R84-R86 PolarHBondContact O-N 3.08Å; R84-R86 VanDerWaalsContact O-N 3.1Å |
| 87 | Y | 91.2 | Very high | 79.1 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 14.6 | -177.9 | -56.3 | -60.1 | 0 | 0 | 0 | 113.4 | Y67 N85 A99 N100 Q141 Y142 | Y67-Y87 WeakPolarHBondContact OH-CA 3.39Å; Y67-Y87 PolarHBondContact OH-O 2.85Å; N85-Y87 PolarHBondContact O-N 2.89Å; N85-Y87 WeakPolarHBondContact OD1-CB 3.44Å; N85-Y87 PolarHBondContact OD1-N 3.39Å; Y87-A99 WeakPolarHBondContact O-CB 3.19Å; Y87-A99 PolarHBondContact O-N 3.16Å; Y87-N100 HydrophobicContact CD2-CB 4.24Å; Y87-Q141 HydrophobicContact CD1-CB 3.98Å; Y87-Q141 HydrophobicContact CD1-CG 3.99Å; Y87-Q141 HydrophobicContact CE1-CG 4.27Å; Y87-Y142 HydrophobicContact CE1-CD1 4.4Å; Y87-Y142 HydrophobicContact CE1-CE1 4.21Å |
| 88 | V | 92 | Very high | 80.2 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.7 | 170.8 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | N85 E96 I97 D98 | N85-V88 HydrophobicContact CB-CG2 3.87Å; N85-V88 PolarHBondContact O-N 2.77Å; V88-E96 HydrophobicContact CG1-CB 4.15Å; V88-E96 HydrophobicContact CG1-CG 4.41Å; V88-I97 WeakPolarHBondContact CA-O 3.48Å; V88-D98 HydrophobicContact CG2-CB 4.29Å |
| 89 | Y | 92.1 | Very high | 81.3 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.4 | 167.1 | -178.4 | -86.4 | 0 | 0 | 0 | 109.7 | C91 E96 I97 F154 E156 V193 T212 | Y89-C91 HydrophobicContact CE1-CB 4.34Å; Y89-E96 CarbonylContact O-C 3.51Å; Y89-E96 VanDerWaalsContact O-CA 3.26Å; Y89-E96 WeakPolarHBondContact O-CA 3.47Å; Y89-I97 PolarHBondContact N-O 3.28Å; Y89-I97 PolarHBondContact O-N 2.66Å; Y89-F154 HydrophobicContact CD2-CD1 4.01Å; Y89-F154 HydrophobicContact CD2-CE1 4.17Å; Y89-F154 HydrophobicContact CD2-CG 4.43Å; Y89-F154 HydrophobicContact CE2-CB 3.89Å; Y89-F154 AromaticContact CE2-CD1 3.68Å; Y89-F154 HydrophobicContact CE2-CD1 3.68Å; Y89-F154 HydrophobicContact CE2-CD2 4.35Å; Y89-F154 HydrophobicContact CE2-CE1 4.26Å; Y89-F154 AromaticContact CE2-CG 3.72Å; Y89-F154 HydrophobicContact CE2-CG 3.72Å; Y89-E156 HydrophobicContact CE1-CG 4.14Å; Y89-E156 WeakPolarHBondContact CE1-OE1 3.18Å; Y89-E156 PolarHBondContact OH-OE1 3.37Å; Y89-V193 HydrophobicContact CD1-CB 4.47Å; Y89-V193 HydrophobicContact CD1-CG1 4.29Å; Y89-V193 HydrophobicContact CD1-CG2 3.63Å; Y89-V193 HydrophobicContact CD2-CG1 4.12Å; Y89-V193 HydrophobicContact CE1-CB 4.47Å; Y89-V193 HydrophobicContact CE1-CG1 4.14Å; Y89-V193 HydrophobicContact CE1-CG2 3.52Å; Y89-V193 HydrophobicContact CE2-CG1 3.97Å; Y89-V193 HydrophobicContact CG-CG1 4.29Å; Y89-V193 HydrophobicContact CG-CG2 4.34Å; Y89-T212 HydrophobicContact CD2-CG2 4.4Å; Y89-T212 HydrophobicContact CE2-CG2 3.78Å |
| 90 | K | 91.8 | Very high | 82.6 | Confident | 118 Ų | 118 | 65.9 Ų | 65.9 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115 | 175.3 | -62.4 | -168.4 | 172.6 | -173.7 | 0 | 109.8 | E96 S214 | K90-E96 WeakPolarHBondContact CE-OE1 3.48Å; K90-E96 HydrophobicContact CG-CG 4.13Å; K90-E96 IonicContact NZ-OE1 3.63Å; K90-S214 WeakPolarHBondContact O-CB 3.26Å; K90-S214 PolarHBondContact O-OG 3.3Å |
| 91 | C | 93 | Very high | 84 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | trans | -70 | 159.4 | 175.8 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | Y89 D93 G94 M95 E156 | Y89-C91 HydrophobicContact CE1-CB 4.34Å; C91-D93 WeakPolarHBondContact CB-OD1 3.31Å; C91-D93 PolarHBondContact O-N 2.93Å; C91-G94 PolarHBondContact O-N 3.13Å; C91-G94 VanDerWaalsContact O-N 3.13Å; C91-M95 HydrophobicContact CB-CB 3.93Å; C91-M95 VanDerWaalsContact CB-O 3.3Å; C91-M95 WeakPolarHBondContact CB-O 3.42Å; C91-M95 PolarHBondContact N-O 2.69Å; C91-E156 VanDerWaalsContact CA-OE1 3.27Å; C91-E156 WeakPolarHBondContact CA-OE1 3.42Å; C91-E156 VanDerWaalsContact CB-OE2 3.26Å; C91-E156 WeakPolarHBondContact CB-OE2 3.15Å | ||
| 92 | Q | 92.3 | Very high | 85.6 | Confident | 181 Ų | 181 | 67.7 Ų | 67.7 | 85% | 0.846 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -31 | -179.7 | -175.1 | 175.9 | -4.6 | 0 | 0 | 112.8 | G94 E156 | Q92-G94 VanDerWaalsContact C-N 3.29Å; Q92-G94 PolarHBondContact O-N 3.43Å; Q92-E156 PolarHBondContact N-OE1 3.26Å; Q92-E156 PolarHBondContact N-OE2 3.02Å; Q92-E156 VanDerWaalsContact N-OE2 3.11Å |
| 93 | D | 90.2 | Very high | 87.3 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 5.1 | 178.4 | 56.9 | 17.9 | 0 | 0 | 0 | 114 | C91 M95 R191 | C91-D93 WeakPolarHBondContact CB-OD1 3.31Å; C91-D93 PolarHBondContact O-N 2.93Å; D93-M95 VanDerWaalsContact C-N 3.33Å; D93-M95 VanDerWaalsContact OD1-CB 3.3Å; D93-M95 WeakPolarHBondContact OD1-CB 3.38Å; D93-M95 WeakPolarHBondContact OD1-CG 3.36Å; D93-M95 PolarHBondContact OD1-N 3.37Å; D93-R191 IonicContact OD1-NH1 3.52Å; D93-R191 IonicContact OD2-CZ 2.94Å; D93-R191 IonicContact OD2-NH1 3.94Å; D93-R191 PolarHBondContact OD2-NH1 3.4Å; D93-R191 IonicContact OD2-NH2 3.1Å; D93-R191 PolarHBondContact OD2-NH2 2.8Å |
| 94 | G | 89.8 | Confident | 89.1 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 84.7 | -1.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C91 Q92 | C91-G94 PolarHBondContact O-N 3.13Å; C91-G94 VanDerWaalsContact O-N 3.13Å; Q92-G94 VanDerWaalsContact C-N 3.29Å; Q92-G94 PolarHBondContact O-N 3.43Å |
| 95 | M | 90.9 | Very high | 90.5 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | trans | -61.5 | 152.1 | 165 | -67.1 | -168.4 | 175.4 | 0 | 0 | 110.6 | Y72 C91 D93 R191 | Y72-M95 VanDerWaalsContact O-CA 3.31Å; Y72-M95 WeakPolarHBondContact O-CA 3.43Å; Y72-M95 WeakPolarHBondContact O-CB 3.44Å; C91-M95 HydrophobicContact CB-CB 3.93Å; C91-M95 VanDerWaalsContact CB-O 3.3Å; C91-M95 WeakPolarHBondContact CB-O 3.42Å; C91-M95 PolarHBondContact N-O 2.69Å; D93-M95 VanDerWaalsContact C-N 3.33Å; D93-M95 VanDerWaalsContact OD1-CB 3.3Å; D93-M95 WeakPolarHBondContact OD1-CB 3.38Å; D93-M95 WeakPolarHBondContact OD1-CG 3.36Å; D93-M95 PolarHBondContact OD1-N 3.37Å; M95-R191 HydrophobicContact SD-CB 4.12Å; M95-R191 HydrophobicContact SD-CG 4.36Å | ||
| 96 | E | 92.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.8 | 177.4 | -63.5 | -173 | -175.6 | 0 | 0 | 111 | V71 Y72 K78 S81 V88 Y89 K90 | V71-E96 CarbonylContact C-O 3.59Å; V71-E96 WeakPolarHBondContact CA-O 3.34Å; Y72-E96 PolarHBondContact N-O 2.75Å; Y72-E96 PolarHBondContact O-N 2.86Å; K78-E96 WeakPolarHBondContact CD-OE2 3.15Å; K78-E96 IonicContact NZ-OE1 3.64Å; K78-E96 PolarHBondContact NZ-OE1 3.1Å; K78-E96 IonicContact NZ-OE2 3.87Å; S81-E96 WeakPolarHBondContact CB-OE2 3.44Å; S81-E96 PolarHBondContact OG-OE2 3.22Å; V88-E96 HydrophobicContact CG1-CB 4.15Å; V88-E96 HydrophobicContact CG1-CG 4.41Å; Y89-E96 CarbonylContact O-C 3.51Å; Y89-E96 VanDerWaalsContact O-CA 3.26Å; Y89-E96 WeakPolarHBondContact O-CA 3.47Å; K90-E96 WeakPolarHBondContact CE-OE1 3.48Å; K90-E96 HydrophobicContact CG-CG 4.13Å; K90-E96 IonicContact NZ-OE1 3.63Å |
| 97 | I | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.9 | 172.5 | -50.9 | -173.8 | 0 | 0 | 0 | 108.6 | Y67 P68 T70 V71 V88 Y89 R191 V193 | Y67-I97 HydrophobicContact CD1-CB 4.31Å; Y67-I97 HydrophobicContact CD1-CG2 4.04Å; Y67-I97 HydrophobicContact CE1-CB 4.45Å; Y67-I97 HydrophobicContact CE1-CG2 4.38Å; P68-I97 VanDerWaalsContact O-CG2 3.27Å; P68-I97 WeakPolarHBondContact O-CG2 3.32Å; T70-I97 WeakPolarHBondContact O-CA 3.41Å; V71-I97 HydrophobicContact CG2-CD1 4.35Å; V71-I97 HydrophobicContact CG2-CG1 4.24Å; V88-I97 WeakPolarHBondContact CA-O 3.48Å; Y89-I97 PolarHBondContact N-O 3.28Å; Y89-I97 PolarHBondContact O-N 2.66Å; I97-R191 HydrophobicContact CD1-CG 4.4Å; I97-V193 HydrophobicContact CD1-CB 3.94Å; I97-V193 HydrophobicContact CD1-CG2 3.44Å; I97-V193 VanDerWaalsContact CD1-CG2 3.44Å; I97-V193 HydrophobicContact CG1-CG2 4.5Å |
| 98 | D | 94 | Very high | 91.8 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 103.8 | 175.4 | -169.1 | -5.5 | 0 | 0 | 0 | 110.7 | G69 T70 Y72 C80 N85 V88 N100 A105 | G69-D98 CarbonylContact C-O 3.53Å; G69-D98 WeakPolarHBondContact CA-O 3.12Å; T70-D98 PolarHBondContact N-O 3.42Å; T70-D98 PolarHBondContact O-N 2.75Å; Y72-D98 HydrophobicContact CE2-CB 3.88Å; C80-D98 WeakPolarHBondContact CB-OD2 3.39Å; N85-D98 PolarHBondContact ND2-OD1 3.28Å; N85-D98 VanDerWaalsContact ND2-OD1 3.15Å; V88-D98 HydrophobicContact CG2-CB 4.29Å; D98-N100 VanDerWaalsContact C-N 3.34Å; D98-N100 WeakPolarHBondContact OD1-CB 3.44Å; D98-N100 PolarHBondContact OD1-N 2.93Å; D98-A105 WeakPolarHBondContact OD2-CB 3.29Å |
| 99 | A | 95.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | trans | -93.1 | 16.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y67 P68 Y87 G101 W128 Q141 | Y67-A99 HydrophobicContact CD1-CB 4.03Å; Y67-A99 HydrophobicContact CE1-CB 3.43Å; Y67-A99 VanDerWaalsContact CE1-CB 3.43Å; P68-A99 HydrophobicContact CG-CB 4.16Å; P68-A99 WeakPolarHBondContact O-CB 3.48Å; Y87-A99 WeakPolarHBondContact O-CB 3.19Å; Y87-A99 PolarHBondContact O-N 3.16Å; A99-G101 PolarHBondContact O-N 3.31Å; A99-G101 VanDerWaalsContact O-N 3.08Å; A99-W128 VanDerWaalsContact O-CZ3 3.23Å; A99-W128 WeakPolarHBondContact O-CZ3 3.42Å; A99-Q141 HydrophobicContact CB-CB 3.56Å; A99-Q141 HydrophobicContact CB-CG 3.97Å | ||
| 100 | N | 92.5 | Very high | 91.7 | Very high | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | trans | -73.2 | 102.9 | 174.1 | -176.5 | 4.9 | 0 | 0 | 0 | 110.3 | Y87 D98 N102 A105 | Y87-N100 HydrophobicContact CD2-CB 4.24Å; D98-N100 VanDerWaalsContact C-N 3.34Å; D98-N100 WeakPolarHBondContact OD1-CB 3.44Å; D98-N100 PolarHBondContact OD1-N 2.93Å; N100-N102 PolarHBondContact O-N 2.69Å; N100-N102 PolarHBondContact OD1-N 3.2Å; N100-N102 VanDerWaalsContact OD1-N 3.12Å; N100-A105 HydrophobicContact CB-CB 3.76Å; N100-A105 WeakPolarHBondContact O-CB 3.4Å | ||
| 101 | G | 91.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -73.9 | 15.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A99 R106 | A99-G101 PolarHBondContact O-N 3.31Å; A99-G101 VanDerWaalsContact O-N 3.08Å; G101-R106 VanDerWaalsContact O-CD 3.3Å; G101-R106 WeakPolarHBondContact O-CD 3.49Å | ||
| 102 | N | 90.7 | Very high | 91.5 | Very high | 97 Ų | 97 | 43.2 Ų | 43.2 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -130 | 165.6 | -177.3 | -61.8 | -71.1 | 0 | 0 | 0 | 112.6 | N100 A105 R106 | N100-N102 PolarHBondContact O-N 2.69Å; N100-N102 PolarHBondContact OD1-N 3.2Å; N100-N102 VanDerWaalsContact OD1-N 3.12Å; N102-A105 PolarHBondContact O-N 2.85Å; N102-R106 PolarHBondContact O-N 2.89Å |
| 103 | G | 89.4 | Confident | 91.2 | Very high | 55 Ų | 55 | 34.6 Ų | 34.6 | 57% | 0.567 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | 56.4 | -138.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A105 R106 L107 | G103-A105 PolarHBondContact O-N 3.21Å; G103-R106 WeakPolarHBondContact O-CB 3.41Å; G103-R106 PolarHBondContact O-N 2.95Å; G103-L107 PolarHBondContact O-N 3.43Å |
| 104 | L | 90.2 | Very high | 91 | Very high | 85 Ų | 85 | 33 Ų | 33 | 45% | 0.445 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.5 | -35.4 | -176 | -176 | 60.1 | 0 | 0 | 0 | 113.1 | I79 R106 L107 I108 | I79-L104 HydrophobicContact CB-CD2 4.37Å; I79-L104 HydrophobicContact CG2-CD2 3.53Å; L104-R106 VanDerWaalsContact C-N 3.31Å; L104-R106 PolarHBondContact O-N 2.92Å; L104-L107 HydrophobicContact CD1-CD1 4.46Å; L104-L107 PolarHBondContact O-N 3.14Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L104-I108 HydrophobicContact CD1-CG1 4.41Å; L104-I108 HydrophobicContact CG-CD1 4.02Å; L104-I108 HydrophobicContact CG-CG1 4.4Å; L104-I108 WeakPolarHBondContact O-CG1 3.2Å; L104-I108 PolarHBondContact O-N 3.41Å |
| 105 | A | 90.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | C80 D98 N100 N102 G103 I108 Y109 | C80-A105 HydrophobicContact CB-CB 4.33Å; D98-A105 WeakPolarHBondContact OD2-CB 3.29Å; N100-A105 HydrophobicContact CB-CB 3.76Å; N100-A105 WeakPolarHBondContact O-CB 3.4Å; N102-A105 PolarHBondContact O-N 2.85Å; G103-A105 PolarHBondContact O-N 3.21Å; A105-I108 PolarHBondContact O-N 3.42Å; A105-Y109 PolarHBondContact O-N 3.34Å |
| 106 | R | 92.3 | Very high | 89.5 | Confident | 56 Ų | 56 | 35.2 Ų | 35.2 | 21% | 0.211 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 171.9 | -178.4 | 175.2 | -147.1 | 179.2 | -3.5 | 112.6 | E21 G101 N102 G103 L104 Y109 R110 M129 | E21-R106 VanDerWaalsContact CD-NH2 3.32Å; E21-R106 IonicContact OE1-CZ 2.69Å; E21-R106 IonicContact OE1-NE 3.27Å; E21-R106 IonicContact OE1-NH2 3.61Å; E21-R106 PolarHBondContact OE1-NH2 3.46Å; E21-R106 IonicContact OE2-NH2 2.86Å; E21-R106 PolarHBondContact OE2-NH2 3.23Å; G101-R106 VanDerWaalsContact O-CD 3.3Å; G101-R106 WeakPolarHBondContact O-CD 3.49Å; N102-R106 PolarHBondContact O-N 2.89Å; G103-R106 WeakPolarHBondContact O-CB 3.41Å; G103-R106 PolarHBondContact O-N 2.95Å; L104-R106 VanDerWaalsContact C-N 3.31Å; L104-R106 PolarHBondContact O-N 2.92Å; R106-Y109 PolarHBondContact O-N 2.92Å; R106-R110 WeakPolarHBondContact O-CG 3.48Å; R106-R110 PolarHBondContact O-N 3.33Å; R106-M129 HydrophobicContact CB-SD 4.07Å; R106-M129 HydrophobicContact CG-CE 4.33Å; R106-M129 HydrophobicContact CG-SD 3.66Å |
| 107 | L | 91.5 | Very high | 88.1 | Confident | 103 Ų | 103 | 40.1 Ų | 40.1 | 54% | 0.539 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 178.5 | -68.2 | 175.2 | 0 | 0 | 0 | 111.6 | G103 L104 R110 S111 | G103-L107 PolarHBondContact O-N 3.43Å; L104-L107 HydrophobicContact CD1-CD1 4.46Å; L104-L107 PolarHBondContact O-N 3.14Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L107-R110 PolarHBondContact O-N 3.09Å; L107-S111 WeakPolarHBondContact O-CB 3.44Å; L107-S111 PolarHBondContact O-N 3.02Å |
| 108 | I | 91.5 | Very high | 86.3 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -51 | 176 | -68.1 | 166.2 | 0 | 0 | 0 | 110.3 | T70 Y72 L104 A105 R110 S111 C112 Y177 | T70-I108 HydrophobicContact CG2-CG2 4.16Å; Y72-I108 WeakPolarHBondContact OH-CG2 3.49Å; L104-I108 HydrophobicContact CD1-CG1 4.41Å; L104-I108 HydrophobicContact CG-CD1 4.02Å; L104-I108 HydrophobicContact CG-CG1 4.4Å; L104-I108 WeakPolarHBondContact O-CG1 3.2Å; L104-I108 PolarHBondContact O-N 3.41Å; A105-I108 PolarHBondContact O-N 3.42Å; I108-R110 VanDerWaalsContact C-N 3.31Å; I108-R110 PolarHBondContact O-N 3.02Å; I108-S111 WeakPolarHBondContact O-CB 3.13Å; I108-S111 PolarHBondContact O-N 3.37Å; I108-S111 VanDerWaalsContact O-N 3.13Å; I108-C112 PolarHBondContact O-N 3.45Å; I108-C112 PolarHBondContact O-SG 3.4Å; I108-Y177 HydrophobicContact CG2-CD2 3.58Å; I108-Y177 HydrophobicContact CG2-CE2 3.76Å |
| 109 | Y | 92.2 | Very high | 84.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55 | -48.3 | 179.1 | -170 | -79.9 | 0 | 0 | 0 | 111.5 | G69 T70 A105 R106 C112 T113 N124 D125 L126 W128 M129 P173 S174 V175 | G69-Y109 VanDerWaalsContact C-CE2 3.45Å; G69-Y109 WeakPolarHBondContact O-CE2 3.11Å; T70-Y109 WeakPolarHBondContact OG1-CA 3.33Å; T70-Y109 WeakPolarHBondContact OG1-CB 3.34Å; T70-Y109 WeakPolarHBondContact OG1-CD2 3.44Å; A105-Y109 PolarHBondContact O-N 3.34Å; R106-Y109 PolarHBondContact O-N 2.92Å; Y109-C112 PolarHBondContact O-N 3.34Å; Y109-T113 PolarHBondContact O-N 3.05Å; Y109-T113 PolarHBondContact O-OG1 2.77Å; Y109-T113 VanDerWaalsContact O-OG1 3.14Å; Y109-N124 WeakPolarHBondContact CE1-ND2 3.31Å; Y109-N124 VanDerWaalsContact CZ-ND2 3.3Å; Y109-N124 PolarHBondContact OH-ND2 2.8Å; Y109-D125 PolarHBondContact OH-O 3.11Å; Y109-D125 VanDerWaalsContact OH-O 3.1Å; Y109-L126 HydrophobicContact CD1-CD2 3.76Å; Y109-L126 HydrophobicContact CE1-CD2 3.81Å; Y109-W128 AromaticContact CD2-CZ2 3.64Å; Y109-W128 HydrophobicContact CD2-CZ2 3.64Å; Y109-W128 AromaticContact CE1-NE1 3.41Å; Y109-W128 AromaticContact CE2-CE2 3.87Å; Y109-W128 AromaticContact CE2-CZ2 3.79Å; Y109-W128 HydrophobicContact CE2-CZ2 3.79Å; Y109-W128 AromaticContact CE2-NE1 3.41Å; Y109-W128 HydrophobicContact CG-CZ2 4.06Å; Y109-W128 AromaticContact CZ-NE1 3.09Å; Y109-W128 PolarHBondContact OH-NE1 3.18Å; Y109-M129 HydrophobicContact CD1-CE 3.54Å; Y109-M129 HydrophobicContact CD1-SD 4.12Å; Y109-M129 HydrophobicContact CE1-CE 4.14Å; Y109-M129 HydrophobicContact CG-CE 4.18Å; Y109-M129 HydrophobicContact CG-SD 4.17Å; Y109-P173 PolarHBondContact OH-O 3.32Å; Y109-S174 PolarHBondContact OH-N 2.78Å; Y109-V175 HydrophobicContact CD1-CG1 4.3Å; Y109-V175 HydrophobicContact CD2-CG1 3.48Å; Y109-V175 VanDerWaalsContact CD2-CG1 3.48Å; Y109-V175 HydrophobicContact CE1-CG1 4.3Å; Y109-V175 HydrophobicContact CE2-CB 4.1Å; Y109-V175 HydrophobicContact CE2-CG1 3.46Å; Y109-V175 VanDerWaalsContact CE2-CG1 3.46Å; Y109-V175 HydrophobicContact CG-CG1 3.9Å |
| 110 | R | 90.6 | Very high | 82.6 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 175.7 | -76.1 | 179.4 | 173.2 | -169.7 | 4 | 111.3 | E17 E21 R106 L107 I108 C112 T113 Y114 L126 M129 | E17-R110 IonicContact OE1-CZ 2.84Å; E17-R110 IonicContact OE1-NH1 2.98Å; E17-R110 PolarHBondContact OE1-NH1 3.33Å; E17-R110 IonicContact OE1-NH2 3.37Å; E21-R110 IonicContact OE1-CZ 3.46Å; E21-R110 IonicContact OE1-NE 2.77Å; E21-R110 IonicContact OE1-NH2 3.56Å; E21-R110 PolarHBondContact OE1-NH2 3.41Å; E21-R110 IonicContact OE2-NH2 3.54Å; E21-R110 PolarHBondContact OE2-NH2 2.95Å; E21-R110 VanDerWaalsContact OE2-NH2 3.1Å; R106-R110 WeakPolarHBondContact O-CG 3.48Å; R106-R110 PolarHBondContact O-N 3.33Å; L107-R110 PolarHBondContact O-N 3.09Å; I108-R110 VanDerWaalsContact C-N 3.31Å; I108-R110 PolarHBondContact O-N 3.02Å; R110-C112 VanDerWaalsContact C-N 3.29Å; R110-C112 PolarHBondContact O-N 2.88Å; R110-T113 WeakPolarHBondContact O-CB 3.36Å; R110-T113 PolarHBondContact O-N 2.89Å; R110-Y114 HydrophobicContact CB-CD2 4.29Å; R110-Y114 HydrophobicContact CB-CE2 4.16Å; R110-Y114 WeakPolarHBondContact O-CD2 3.47Å; R110-Y114 PolarHBondContact O-N 2.94Å; R110-L126 HydrophobicContact CG-CD2 4.04Å; R110-M129 HydrophobicContact CG-CE 4.2Å |
| 111 | S | 89.8 | Confident | 81.3 | Confident | 60 Ų | 60 | 64.5 Ų | 64.5 | 42% | 0.42 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.1 | -45.4 | 179.6 | -179 | 0 | 0 | 0 | 0 | 111.6 | L107 I108 T113 Y114 R115 | L107-S111 WeakPolarHBondContact O-CB 3.44Å; L107-S111 PolarHBondContact O-N 3.02Å; I108-S111 WeakPolarHBondContact O-CB 3.13Å; I108-S111 PolarHBondContact O-N 3.37Å; I108-S111 VanDerWaalsContact O-N 3.13Å; S111-T113 PolarHBondContact O-N 3.49Å; S111-Y114 PolarHBondContact O-N 2.92Å; S111-R115 WeakPolarHBondContact O-CB 3.35Å; S111-R115 PolarHBondContact O-N 3.25Å |
| 112 | C | 88.8 | Confident | 80.3 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | I108 Y109 R110 Y114 R115 D116 V175 Y177 | I108-C112 PolarHBondContact O-N 3.45Å; I108-C112 PolarHBondContact O-SG 3.4Å; Y109-C112 PolarHBondContact O-N 3.34Å; R110-C112 VanDerWaalsContact C-N 3.29Å; R110-C112 PolarHBondContact O-N 2.88Å; C112-Y114 PolarHBondContact O-N 2.9Å; C112-R115 PolarHBondContact O-N 2.91Å; C112-D116 PolarHBondContact O-N 2.8Å; C112-D116 VanDerWaalsContact O-N 3.13Å; C112-V175 HydrophobicContact CB-CB 4.44Å; C112-V175 HydrophobicContact CB-CG1 3.79Å; C112-V175 HydrophobicContact CB-CG2 3.71Å; C112-Y177 PolarHBondContact SG-O 3.21Å; C112-Y177 VanDerWaalsContact SG-O 3.4Å |
| 113 | T | 88 | Confident | 79.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 176 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | Y109 R110 S111 L122 N124 L126 | Y109-T113 PolarHBondContact O-N 3.05Å; Y109-T113 PolarHBondContact O-OG1 2.77Å; Y109-T113 VanDerWaalsContact O-OG1 3.14Å; R110-T113 WeakPolarHBondContact O-CB 3.36Å; R110-T113 PolarHBondContact O-N 2.89Å; S111-T113 PolarHBondContact O-N 3.49Å; T113-L122 HydrophobicContact CG2-CD2 3.69Å; T113-N124 WeakPolarHBondContact CB-OD1 3.24Å; T113-N124 VanDerWaalsContact CG2-OD1 3.22Å; T113-N124 WeakPolarHBondContact CG2-OD1 3.42Å; T113-N124 PolarHBondContact OG1-ND2 2.81Å; T113-N124 PolarHBondContact OG1-OD1 3.04Å; T113-L126 HydrophobicContact CG2-CD1 4.03Å; T113-L126 HydrophobicContact CG2-CD2 4Å; T113-L126 HydrophobicContact CG2-CG 4Å |
| 114 | Y | 84.3 | Confident | 79.9 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.2 | -29.5 | -178.7 | -69 | -70.7 | 0 | 0 | 0 | 112.8 | W13 R110 S111 C112 D116 R117 L122 L126 | W13-Y114 HydrophobicContact CH2-CD1 4.48Å; W13-Y114 AromaticContact CH2-CD2 3.33Å; W13-Y114 HydrophobicContact CH2-CD2 3.33Å; W13-Y114 AromaticContact CH2-CE2 3.69Å; W13-Y114 HydrophobicContact CH2-CE2 3.69Å; W13-Y114 AromaticContact CH2-CG 3.79Å; W13-Y114 HydrophobicContact CH2-CG 3.79Å; W13-Y114 AromaticContact CZ3-CD2 3.62Å; W13-Y114 HydrophobicContact CZ3-CD2 3.62Å; W13-Y114 AromaticContact CZ3-CE2 3.42Å; W13-Y114 HydrophobicContact CZ3-CE2 3.42Å; W13-Y114 VanDerWaalsContact CZ3-CE2 3.42Å; W13-Y114 HydrophobicContact CZ3-CG 4.34Å; W13-Y114 AromaticContact CZ3-CZ 3.95Å; R110-Y114 HydrophobicContact CB-CD2 4.29Å; R110-Y114 HydrophobicContact CB-CE2 4.16Å; R110-Y114 WeakPolarHBondContact O-CD2 3.47Å; R110-Y114 PolarHBondContact O-N 2.94Å; S111-Y114 PolarHBondContact O-N 2.92Å; C112-Y114 PolarHBondContact O-N 2.9Å; Y114-D116 VanDerWaalsContact C-N 3.33Å; Y114-R117 WeakPolarHBondContact O-CB 3.47Å; Y114-R117 PolarHBondContact O-N 3.29Å; Y114-L122 HydrophobicContact CE1-CD2 4.42Å; Y114-L126 HydrophobicContact CE2-CD1 4.36Å |
| 115 | R | 81.6 | Confident | 79.9 | Confident | 108 Ų | 108 | 57 Ų | 57 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 169.8 | -180 | -165.7 | 65.3 | -149.4 | -7.5 | 111.6 | S111 C112 R117 R176 Y177 | S111-R115 WeakPolarHBondContact O-CB 3.35Å; S111-R115 PolarHBondContact O-N 3.25Å; C112-R115 PolarHBondContact O-N 2.91Å; R115-R117 PolarHBondContact O-N 3.34Å; R115-R117 VanDerWaalsContact O-N 3.15Å; R115-R176 PolarHBondContact NH2-O 3.28Å; R115-Y177 PolarHBondContact NH1-O 2.86Å |
| 116 | D | 68.8 | Low | 80 | Confident | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 8.4 | -175.9 | -77.2 | 30.1 | 0 | 0 | 0 | 113 | C112 Y114 G118 R179 | C112-D116 PolarHBondContact O-N 2.8Å; C112-D116 VanDerWaalsContact O-N 3.13Å; Y114-D116 VanDerWaalsContact C-N 3.33Å; D116-G118 PolarHBondContact O-N 2.89Å; D116-R179 IonicContact OD1-NE 2.83Å; D116-R179 IonicContact OD2-CZ 3.73Å; D116-R179 IonicContact OD2-NE 3.53Å; D116-R179 PolarHBondContact OD2-NE 2.81Å; D116-R179 IonicContact OD2-NH2 3.89Å; D116-R179 PolarHBondContact OD2-NH2 2.84Å |
| 117 | R | 62.2 | Low | 80 | Confident | 115 Ų | 115 | 54.7 Ų | 54.7 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | trans | -66 | 76.5 | 170.3 | -78.6 | -177.1 | 151.9 | 177.8 | -8.1 | 111.2 | Y114 R115 | Y114-R117 WeakPolarHBondContact O-CB 3.47Å; Y114-R117 PolarHBondContact O-N 3.29Å; R115-R117 PolarHBondContact O-N 3.34Å; R115-R117 VanDerWaalsContact O-N 3.15Å | ||
| 118 | G | 56.7 | Low | 80.1 | Confident | 52 Ų | 52 | 50 Ų | 50 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | trans | -77.9 | -26.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D116 | D116-G118 PolarHBondContact O-N 2.89Š| ||
| 119 | Q | 51.2 | Low | 80.1 | Confident | 146 Ų | 146 | 49.8 Ų | 49.8 | 68% | 0.682 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -138.4 | 165 | -176.1 | -59.7 | -153.2 | -20.8 | 0 | 0 | 111 | W121 | Q119-W121 PolarHBondContact O-N 2.79Å; Q119-W121 VanDerWaalsContact O-O 3.06Å |
| 120 | K | 59.8 | Low | 80 | Confident | 181 Ų | 181 | 50.4 Ų | 50.4 | 79% | 0.787 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -49.7 | -3.4 | -172.1 | -165.8 | 174.5 | 179 | 178.7 | 0 | 116.6 | ||
| 121 | W | 66.1 | Low | 79.8 | Confident | 178 Ų | 178 | 54.3 Ų | 54.3 | 67% | 0.674 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -128.6 | 162.8 | -171.6 | -47.5 | 104.9 | 0 | 0 | 0 | 111.4 | Q119 | Q119-W121 PolarHBondContact O-N 2.79Å; Q119-W121 VanDerWaalsContact O-O 3.06Å |
| 122 | L | 69.3 | Low | 79.6 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | trans | -76.9 | 136.7 | 172.2 | -61.7 | 172.2 | 0 | 0 | 0 | 109.7 | Y20 T113 Y114 N124 L126 | Y20-L122 HydrophobicContact CD1-CD1 3.84Å; Y20-L122 HydrophobicContact CE1-CD1 4.35Å; Y20-L122 HydrophobicContact CG-CD1 4.3Å; T113-L122 HydrophobicContact CG2-CD2 3.69Å; Y114-L122 HydrophobicContact CE1-CD2 4.42Å; L122-N124 VanDerWaalsContact C-N 3.27Å; L122-L126 HydrophobicContact CD1-CD1 3.95Å; L122-L126 HydrophobicContact CD1-CG 4.49Å; L122-L126 HydrophobicContact CD2-CD1 4.34Å | ||
| 123 | E | 82.1 | Confident | 79.7 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -84.8 | -0.7 | 175.7 | -66.4 | -70.3 | 155.1 | 0 | 0 | 112.7 | R169 | E123-R169 CarbonylContact C-O 3.48Å; E123-R169 CarbonylContact O-C 3.39Å; E123-R169 WeakPolarHBondContact OE2-CD 3.42Å; E123-R169 IonicContact OE2-CZ 2.79Å; E123-R169 IonicContact OE2-NE 3.66Å; E123-R169 IonicContact OE2-NH1 3.76Å; E123-R169 PolarHBondContact OE2-NH1 3.03Å |
| 124 | N | 89.7 | Confident | 79.7 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -156.7 | 163 | -178.2 | 69.7 | -87.6 | 0 | 0 | 0 | 111.5 | Y109 T113 L122 R169 K170 L172 | Y109-N124 WeakPolarHBondContact CE1-ND2 3.31Å; Y109-N124 VanDerWaalsContact CZ-ND2 3.3Å; Y109-N124 PolarHBondContact OH-ND2 2.8Å; T113-N124 WeakPolarHBondContact CB-OD1 3.24Å; T113-N124 VanDerWaalsContact CG2-OD1 3.22Å; T113-N124 WeakPolarHBondContact CG2-OD1 3.42Å; T113-N124 PolarHBondContact OG1-ND2 2.81Å; T113-N124 PolarHBondContact OG1-OD1 3.04Å; L122-N124 VanDerWaalsContact C-N 3.27Å; N124-R169 WeakPolarHBondContact CA-O 3.36Å; N124-K170 CarbonylContact C-O 3.58Å; N124-L172 CarbonylContact C-O 3.53Å; N124-L172 VanDerWaalsContact CA-O 3.31Å; N124-L172 WeakPolarHBondContact CA-O 3.34Å; N124-L172 VanDerWaalsContact CB-O 3.32Å; N124-L172 WeakPolarHBondContact CB-O 3.48Å |
| 125 | D | 91.4 | Very high | 80.1 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | trans | -82.3 | 122.7 | 179.8 | -172.3 | 0.7 | 0 | 0 | 0 | 110.3 | Y109 T127 W128 N135 K170 L172 | Y109-D125 PolarHBondContact OH-O 3.11Å; Y109-D125 VanDerWaalsContact OH-O 3.1Å; D125-T127 WeakPolarHBondContact OD1-CA 3.5Å; D125-T127 VanDerWaalsContact OD1-CB 3.3Å; D125-T127 WeakPolarHBondContact OD1-CB 3.26Å; D125-T127 PolarHBondContact OD1-N 3.31Å; D125-T127 PolarHBondContact OD1-OG1 3.49Å; D125-T127 PolarHBondContact OD2-OG1 3.32Å; D125-W128 PolarHBondContact O-NE1 3.18Å; D125-N135 WeakPolarHBondContact OD2-CB 3.39Å; D125-N135 PolarHBondContact OD2-N 2.59Å; D125-K170 VanDerWaalsContact CA-O 3.31Å; D125-K170 WeakPolarHBondContact CA-O 3.27Å; D125-K170 WeakPolarHBondContact CB-O 3.4Å; D125-K170 PolarHBondContact N-O 2.93Å; D125-L172 PolarHBondContact N-O 3Å | ||
| 126 | L | 91.8 | Very high | 80.6 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -89.3 | -17.7 | 172.3 | -74.5 | 169.7 | 0 | 0 | 0 | 112.6 | Y109 R110 T113 Y114 L122 W128 M129 | Y109-L126 HydrophobicContact CD1-CD2 3.76Å; Y109-L126 HydrophobicContact CE1-CD2 3.81Å; R110-L126 HydrophobicContact CG-CD2 4.04Å; T113-L126 HydrophobicContact CG2-CD1 4.03Å; T113-L126 HydrophobicContact CG2-CD2 4Å; T113-L126 HydrophobicContact CG2-CG 4Å; Y114-L126 HydrophobicContact CE2-CD1 4.36Å; L122-L126 HydrophobicContact CD1-CD1 3.95Å; L122-L126 HydrophobicContact CD1-CG 4.49Å; L122-L126 HydrophobicContact CD2-CD1 4.34Å; L126-W128 VanDerWaalsContact C-N 3.29Å; L126-W128 PolarHBondContact O-N 3.13Å; L126-M129 HydrophobicContact CB-CE 4.46Å; L126-M129 HydrophobicContact CD2-CE 3.71Å; L126-M129 WeakPolarHBondContact O-CE 3.22Å; L126-M129 PolarHBondContact O-N 3.43Å |
| 127 | T | 91.8 | Very high | 81.9 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -78.5 | -12.2 | -166.7 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | D125 M129 T130 V134 | D125-T127 WeakPolarHBondContact OD1-CA 3.5Å; D125-T127 VanDerWaalsContact OD1-CB 3.3Å; D125-T127 WeakPolarHBondContact OD1-CB 3.26Å; D125-T127 PolarHBondContact OD1-N 3.31Å; D125-T127 PolarHBondContact OD1-OG1 3.49Å; D125-T127 PolarHBondContact OD2-OG1 3.32Å; T127-M129 PolarHBondContact O-N 3.04Å; T127-T130 WeakPolarHBondContact O-CB 3.3Å; T127-T130 PolarHBondContact O-N 3.3Å; T127-T130 PolarHBondContact O-OG1 3.35Å; T127-V134 HydrophobicContact CG2-CB 4.42Å; T127-V134 HydrophobicContact CG2-CG2 3.66Å; T127-V134 WeakPolarHBondContact OG1-CB 3.44Å; T127-V134 WeakPolarHBondContact OG1-CG2 3.41Å; T127-V134 PolarHBondContact OG1-N 3.29Å |
| 128 | W | 93.7 | Very high | 83.5 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -59.3 | -25.2 | 171.3 | 76.9 | -100.5 | 0 | 0 | 0 | 113.5 | P68 A99 Y109 D125 L126 T130 A138 P173 | P68-W128 HydrophobicContact CB-CB 4.18Å; P68-W128 HydrophobicContact CB-CD2 3.48Å; P68-W128 VanDerWaalsContact CB-CD2 3.48Å; P68-W128 HydrophobicContact CB-CE3 3.68Å; P68-W128 HydrophobicContact CB-CG 3.7Å; P68-W128 HydrophobicContact CB-CZ2 4.5Å; P68-W128 HydrophobicContact CB-CZ3 4.28Å; P68-W128 HydrophobicContact CG-CD2 3.82Å; P68-W128 HydrophobicContact CG-CE3 3.44Å; P68-W128 VanDerWaalsContact CG-CE3 3.44Å; P68-W128 HydrophobicContact CG-CG 4.32Å; P68-W128 HydrophobicContact CG-CZ3 3.88Å; A99-W128 VanDerWaalsContact O-CZ3 3.23Å; A99-W128 WeakPolarHBondContact O-CZ3 3.42Å; Y109-W128 AromaticContact CD2-CZ2 3.64Å; Y109-W128 HydrophobicContact CD2-CZ2 3.64Å; Y109-W128 AromaticContact CE1-NE1 3.41Å; Y109-W128 AromaticContact CE2-CE2 3.87Å; Y109-W128 AromaticContact CE2-CZ2 3.79Å; Y109-W128 HydrophobicContact CE2-CZ2 3.79Å; Y109-W128 AromaticContact CE2-NE1 3.41Å; Y109-W128 HydrophobicContact CG-CZ2 4.06Å; Y109-W128 AromaticContact CZ-NE1 3.09Å; Y109-W128 PolarHBondContact OH-NE1 3.18Å; D125-W128 PolarHBondContact O-NE1 3.18Å; L126-W128 VanDerWaalsContact C-N 3.29Å; L126-W128 PolarHBondContact O-N 3.13Å; W128-T130 PolarHBondContact O-N 3.44Å; W128-A138 HydrophobicContact CB-CB 3.63Å; W128-P173 HydrophobicContact CB-CB 4.28Å; W128-P173 HydrophobicContact CG-CB 4.24Å |
| 129 | M | 92.5 | Very high | 85.4 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -79 | -4.8 | 175.5 | -60.2 | -176.7 | -75.2 | 0 | 0 | 112.8 | R106 Y109 R110 L126 T127 | R106-M129 HydrophobicContact CB-SD 4.07Å; R106-M129 HydrophobicContact CG-CE 4.33Å; R106-M129 HydrophobicContact CG-SD 3.66Å; Y109-M129 HydrophobicContact CD1-CE 3.54Å; Y109-M129 HydrophobicContact CD1-SD 4.12Å; Y109-M129 HydrophobicContact CE1-CE 4.14Å; Y109-M129 HydrophobicContact CG-CE 4.18Å; Y109-M129 HydrophobicContact CG-SD 4.17Å; R110-M129 HydrophobicContact CG-CE 4.2Å; L126-M129 HydrophobicContact CB-CE 4.46Å; L126-M129 HydrophobicContact CD2-CE 3.71Å; L126-M129 WeakPolarHBondContact O-CE 3.22Å; L126-M129 PolarHBondContact O-N 3.43Å; T127-M129 PolarHBondContact O-N 3.04Å |
| 130 | T | 89.7 | Confident | 87.5 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 9% | 0.086 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -98.1 | 165 | 177.1 | 79.1 | 0 | 0 | 0 | 0 | 111.1 | E21 T127 W128 L132 | E21-T130 HydrophobicContact CB-CG2 4.43Å; T127-T130 WeakPolarHBondContact O-CB 3.3Å; T127-T130 PolarHBondContact O-N 3.3Å; T127-T130 PolarHBondContact O-OG1 3.35Å; W128-T130 PolarHBondContact O-N 3.44Å; T130-L132 PolarHBondContact O-N 2.89Å; T130-L132 PolarHBondContact OG1-N 3.37Å; T130-L132 PolarHBondContact OG1-O 2.7Å |
| 131 | P | 85.9 | Confident | 89.2 | Confident | 105 Ų | 105 | 27.1 Ų | 27.1 | 68% | 0.682 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -61.6 | -23.9 | 172.3 | -25.1 | 36 | 0 | 0 | 0 | 114.3 | ||
| 132 | L | 86.1 | Confident | 90.7 | Very high | 61 Ų | 61 | 20 Ų | 20 | 32% | 0.319 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -126.6 | 79.2 | -173.2 | -66.9 | 178.8 | 0 | 0 | 0 | 110.7 | G24 R29 T130 | G24-L132 WeakPolarHBondContact CA-O 3.31Å; G24-L132 WeakPolarHBondContact O-CB 3.19Å; G24-L132 WeakPolarHBondContact O-CD1 3.26Å; R29-L132 HydrophobicContact CB-CD2 4.46Å; R29-L132 HydrophobicContact CG-CD2 4.11Å; T130-L132 PolarHBondContact O-N 2.89Å; T130-L132 PolarHBondContact OG1-N 3.37Å; T130-L132 PolarHBondContact OG1-O 2.7Å |
| 133 | P | 90.5 | Very high | 92 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.032 | 11% | 0.106 | C | C | . | . | trans | -66.1 | 141.7 | 179.2 | 28.5 | -35.4 | 0 | 0 | 0 | 112 | R29 N135 V139 | R29-P133 PolarHBondContact NH1-O 2.97Å; P133-N135 WeakPolarHBondContact CB-O 3.27Å; P133-V139 HydrophobicContact CG-CG1 4.12Å | ||
| 134 | V | 89.5 | Confident | 92.5 | Very high | 24 Ų | 24 | 18.9 Ų | 18.9 | 15% | 0.145 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -66.8 | -48.2 | 174.2 | 175 | 0 | 0 | 0 | 0 | 109.8 | L28 T32 T127 P136 F171 | L28-V134 HydrophobicContact CD2-CG1 4.44Å; L28-V134 HydrophobicContact CD2-CG2 3.93Å; T32-V134 WeakPolarHBondContact CB-O 3.17Å; T32-V134 HydrophobicContact CG2-CG1 4.34Å; T32-V134 WeakPolarHBondContact CG2-O 3.49Å; T127-V134 HydrophobicContact CG2-CB 4.42Å; T127-V134 HydrophobicContact CG2-CG2 3.66Å; T127-V134 WeakPolarHBondContact OG1-CB 3.44Å; T127-V134 WeakPolarHBondContact OG1-CG2 3.41Å; T127-V134 PolarHBondContact OG1-N 3.29Å; V134-P136 WeakPolarHBondContact O-CD 3.07Å; V134-F171 HydrophobicContact CG1-CD1 4.3Å; V134-F171 HydrophobicContact CG1-CE1 3.88Å |
| 135 | N | 91.9 | Very high | 92.6 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 10% | 0.102 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -78.8 | 106.4 | 166.7 | -177.6 | -4 | 0 | 0 | 0 | 109.4 | D125 P133 L137 A138 F171 | D125-N135 WeakPolarHBondContact OD2-CB 3.39Å; D125-N135 PolarHBondContact OD2-N 2.59Å; P133-N135 WeakPolarHBondContact CB-O 3.27Å; N135-L137 PolarHBondContact O-N 2.78Å; N135-L137 VanDerWaalsContact O-N 3.09Å; N135-L137 VanDerWaalsContact OD1-CB 3.29Å; N135-L137 WeakPolarHBondContact OD1-CB 3.32Å; N135-L137 PolarHBondContact OD1-N 3.43Å; N135-A138 HydrophobicContact CB-CB 4.27Å; N135-A138 WeakPolarHBondContact O-CB 3.4Å; N135-A138 PolarHBondContact O-N 3.21Å; N135-F171 PolarHBondContact ND2-O 3.07Å |
| 136 | P | 91.7 | Very high | 92.5 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 7% | 0.065 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17 | -177.4 | 28.8 | -35.8 | 0 | 0 | 0 | 113.3 | M33 M36 V134 A138 | M33-P136 HydrophobicContact SD-CB 3.8Å; M36-P136 HydrophobicContact CB-CG 3.86Å; M36-P136 HydrophobicContact CG-CG 4.07Å; M36-P136 HydrophobicContact SD-CB 3.76Å; M36-P136 HydrophobicContact SD-CG 3.48Å; M36-P136 WeakPolarHBondContact SD-CG 3.27Å; V134-P136 WeakPolarHBondContact O-CD 3.07Å; P136-A138 VanDerWaalsContact C-N 3.32Å |
| 137 | L | 95.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.2 | 176.3 | -58.9 | 177.7 | 0 | 0 | 0 | 113.2 | M36 I40 I44 V64 C65 I66 N135 V139 | M36-L137 HydrophobicContact CE-CD2 3.55Å; M36-L137 HydrophobicContact SD-CD2 4.16Å; I40-L137 HydrophobicContact CD1-CD1 4.48Å; I40-L137 HydrophobicContact CD1-CD2 4.08Å; I44-L137 HydrophobicContact CD1-CD2 4.13Å; V64-L137 WeakPolarHBondContact O-CD2 3.43Å; C65-L137 CarbonylContact C-O 3.54Å; C65-L137 WeakPolarHBondContact CA-O 3.36Å; C65-L137 VanDerWaalsContact CB-O 3.25Å; C65-L137 WeakPolarHBondContact CB-O 3.25Å; I66-L137 HydrophobicContact CD1-CB 4.36Å; I66-L137 HydrophobicContact CG1-CB 4.23Å; I66-L137 PolarHBondContact N-O 2.88Å; N135-L137 PolarHBondContact O-N 2.78Å; N135-L137 VanDerWaalsContact O-N 3.09Å; N135-L137 VanDerWaalsContact OD1-CB 3.29Å; N135-L137 WeakPolarHBondContact OD1-CB 3.32Å; N135-L137 PolarHBondContact OD1-N 3.43Å; L137-V139 PolarHBondContact O-N 3.44Å |
| 138 | A | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -79 | 53.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W128 N135 P136 P173 | W128-A138 HydrophobicContact CB-CB 3.63Å; N135-A138 HydrophobicContact CB-CB 4.27Å; N135-A138 WeakPolarHBondContact O-CB 3.4Å; N135-A138 PolarHBondContact O-N 3.21Å; P136-A138 VanDerWaalsContact C-N 3.32Å; A138-P173 HydrophobicContact CB-CB 3.58Å; A138-P173 HydrophobicContact CB-CG 3.92Å | ||
| 139 | V | 96.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | trans | -134 | 11.1 | -172.4 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | I44 R46 V51 C65 I66 P133 L137 Q141 Y142 | I44-V139 HydrophobicContact CD1-CG2 3.8Å; I44-V139 HydrophobicContact CG1-CG2 4.35Å; R46-V139 HydrophobicContact CB-CG1 4.33Å; V51-V139 HydrophobicContact CG1-CG2 4.07Å; V51-V139 HydrophobicContact CG2-CB 4.25Å; V51-V139 HydrophobicContact CG2-CG2 4.06Å; C65-V139 HydrophobicContact CB-CG2 4.07Å; I66-V139 PolarHBondContact O-N 3.33Å; P133-V139 HydrophobicContact CG-CG1 4.12Å; L137-V139 PolarHBondContact O-N 3.44Å; V139-Q141 VanDerWaalsContact CA-OE1 3.27Å; V139-Q141 PolarHBondContact O-N 3.49Å; V139-Q141 VanDerWaalsContact O-N 3.14Å; V139-Q141 PolarHBondContact O-OE1 2.85Å; V139-Y142 HydrophobicContact CB-CD2 4.22Å; V139-Y142 PolarHBondContact O-N 2.9Å | ||
| 140 | G | 97.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -58.4 | -28.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | I66 Y142 V143 | I66-G140 WeakPolarHBondContact O-CA 3.3Å; I66-G140 PolarHBondContact O-N 3.1Å; G140-Y142 PolarHBondContact O-N 3.13Å; G140-V143 PolarHBondContact O-N 2.93Å |
| 141 | Q | 95.4 | Very high | 91.9 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -70.7 | -11.1 | 177.2 | 80.8 | -77.7 | 36 | 0 | 0 | 114.3 | Y67 P68 Y87 A99 V139 | Y67-Q141 HydrophobicContact CD2-CB 4.29Å; Y67-Q141 HydrophobicContact CE2-CB 3.86Å; P68-Q141 VanDerWaalsContact CD-OE1 3.25Å; P68-Q141 VanDerWaalsContact CG-CD 3.43Å; P68-Q141 HydrophobicContact CG-CG 4.4Å; P68-Q141 VanDerWaalsContact CG-NE2 3.35Å; Y87-Q141 HydrophobicContact CD1-CB 3.98Å; Y87-Q141 HydrophobicContact CD1-CG 3.99Å; Y87-Q141 HydrophobicContact CE1-CG 4.27Å; A99-Q141 HydrophobicContact CB-CB 3.56Å; A99-Q141 HydrophobicContact CB-CG 3.97Å; V139-Q141 VanDerWaalsContact CA-OE1 3.27Å; V139-Q141 PolarHBondContact O-N 3.49Å; V139-Q141 VanDerWaalsContact O-N 3.14Å; V139-Q141 PolarHBondContact O-OE1 2.85Å |
| 142 | Y | 96.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -101.9 | -5.1 | 176.9 | -57.3 | -62.6 | 0 | 0 | 0 | 113.5 | R46 G50 Y87 V139 G140 T144 | R46-Y142 HydrophobicContact CG-CD2 4Å; R46-Y142 HydrophobicContact CG-CG 4.15Å; R46-Y142 VanDerWaalsContact CZ-CE1 3.43Å; R46-Y142 VanDerWaalsContact NH1-CZ 3.33Å; R46-Y142 PolarHBondContact NH1-OH 3.33Å; R46-Y142 VanDerWaalsContact NH1-OH 3.14Å; R46-Y142 VanDerWaalsContact NH2-CE1 3.26Å; R46-Y142 PolarHBondContact NH2-OH 3.48Å; G50-Y142 VanDerWaalsContact CA-O 3.29Å; G50-Y142 WeakPolarHBondContact CA-O 3.2Å; Y87-Y142 HydrophobicContact CE1-CD1 4.4Å; Y87-Y142 HydrophobicContact CE1-CE1 4.21Å; V139-Y142 HydrophobicContact CB-CD2 4.22Å; V139-Y142 PolarHBondContact O-N 2.9Å; G140-Y142 PolarHBondContact O-N 3.13Å; Y142-T144 PolarHBondContact O-N 2.97Å |
| 143 | V | 96.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 132.9 | 173.9 | -178 | 0 | 0 | 0 | 0 | 108.3 | V51 G140 V152 L195 L207 F209 | V51-V143 HydrophobicContact CB-CG2 4.26Å; V51-V143 HydrophobicContact CG2-CG2 3.95Å; G140-V143 PolarHBondContact O-N 2.93Å; V143-V152 HydrophobicContact CG1-CG2 3.84Å; V143-L195 HydrophobicContact CB-CD2 3.96Å; V143-L195 HydrophobicContact CG1-CD2 3.87Å; V143-L195 HydrophobicContact CG2-CD2 3.91Å; V143-L207 HydrophobicContact CG1-CB 3.88Å; V143-L207 WeakPolarHBondContact CG1-O 3.24Å; V143-L207 HydrophobicContact CG2-CB 4.28Å; V143-L207 HydrophobicContact CG2-CD1 4.33Å; V143-F209 HydrophobicContact CB-CD1 4.43Å; V143-F209 HydrophobicContact CG1-CB 4.46Å; V143-F209 HydrophobicContact CG1-CD1 3.98Å; V143-F209 VanDerWaalsContact O-CE1 3.25Å; V143-F209 WeakPolarHBondContact O-CE1 3.39Å |
| 144 | T | 93.2 | Very high | 93.2 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 153.3 | -174.8 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | S49 Y142 G146 K206 L208 F209 | S49-T144 WeakPolarHBondContact O-CG2 3.19Å; Y142-T144 PolarHBondContact O-N 2.97Å; T144-G146 PolarHBondContact O-N 3.24Å; T144-K206 WeakPolarHBondContact OG1-CE 3.35Å; T144-K206 PolarHBondContact OG1-NZ 3.49Å; T144-L208 VanDerWaalsContact O-CA 3.31Å; T144-L208 WeakPolarHBondContact O-CA 3.32Å; T144-L208 VanDerWaalsContact OG1-CD2 3.31Å; T144-L208 WeakPolarHBondContact OG1-CD2 3.43Å; T144-F209 VanDerWaalsContact C-CD1 3.41Å; T144-F209 VanDerWaalsContact O-CD1 3.3Å; T144-F209 WeakPolarHBondContact O-CD1 3.39Å; T144-F209 PolarHBondContact O-N 3.24Å; T144-F209 VanDerWaalsContact O-N 3.08Å |
| 145 | R | 91.7 | Very high | 93.5 | Very high | 101 Ų | 101 | 41.5 Ų | 41.5 | 38% | 0.381 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132.6 | 171.7 | -174.7 | 176.7 | 172.2 | 122.3 | -0.8 | 110 | F209 | R145-F209 CarbonylContact C-O 3.55Å; R145-F209 WeakPolarHBondContact CA-O 3.39Å; R145-F209 HydrophobicContact CB-CE1 4.11Å; R145-F209 HydrophobicContact CB-CE2 4.08Å; R145-F209 HydrophobicContact CB-CZ 3.76Å; R145-F209 HydrophobicContact CG-CE2 4.32Å; R145-F209 HydrophobicContact CG-CZ 4.48Å; R145-F209 VanDerWaalsContact N-CE1 3.25Å |
| 146 | G | 89.6 | Confident | 93.7 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 12% | 0.124 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 134.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T144 G149 F209 | T144-G146 PolarHBondContact O-N 3.24Å; G146-G149 WeakPolarHBondContact CA-O 3.41Å; G146-F209 PolarHBondContact N-O 3.15Å |
| 147 | V | 84.1 | Confident | 93.9 | Very high | 132 Ų | 132 | 46 Ų | 46 | 80% | 0.8 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -91.3 | -47.7 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 148 | D | 82.6 | Confident | 93.8 | Very high | 165 Ų | 165 | 48.5 Ų | 48.5 | 88% | 0.882 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -102.6 | 10.7 | -173.8 | -52.2 | -50.8 | 0 | 0 | 0 | 113.7 | ||
| 149 | G | 87.7 | Confident | 93.7 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | trans | 163 | 148 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G146 | G146-G149 WeakPolarHBondContact CA-O 3.41Š| ||
| 150 | C | 94.5 | Very high | 93.4 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | trans | -124 | 148.6 | 173 | 63.9 | 0 | 0 | 0 | 0 | 110.4 | L208 | C150-L208 CarbonylContact C-O 3.59Å; C150-L208 VanDerWaalsContact CA-O 3.28Å; C150-L208 WeakPolarHBondContact CA-O 3.45Å; C150-L208 WeakPolarHBondContact CB-O 3.22Å | ||
| 151 | N | 97.2 | Very high | 93 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | trans | -130 | -3.1 | 178.6 | 58.7 | 16.5 | 0 | 0 | 0 | 112.6 | A197 S198 R199 I201 K206 L207 L208 | N151-A197 CarbonylContact O-C 3.56Å; N151-A197 WeakPolarHBondContact O-CA 3.36Å; N151-S198 VanDerWaalsContact CA-OG 3.26Å; N151-S198 WeakPolarHBondContact CA-OG 3.31Å; N151-S198 PolarHBondContact O-N 3.28Å; N151-S198 PolarHBondContact O-OG 3.14Å; N151-R199 HydrophobicContact CB-CG 4.23Å; N151-I201 HydrophobicContact CB-CD1 3.82Å; N151-I201 HydrophobicContact CB-CG1 4.08Å; N151-I201 HydrophobicContact CB-CG2 4.49Å; N151-I201 WeakPolarHBondContact O-CD1 3.44Å; N151-K206 PolarHBondContact ND2-O 3.18Å; N151-L207 WeakPolarHBondContact OD1-CA 2.99Å; N151-L208 PolarHBondContact N-O 2.73Å; N151-L208 PolarHBondContact OD1-N 2.71Å; N151-L208 PolarHBondContact OD1-O 2.66Å | ||
| 152 | V | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.5 | 173.3 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | V64 V143 L195 T196 I201 L207 L208 F209 | V64-V152 HydrophobicContact CB-CG1 4.34Å; V64-V152 HydrophobicContact CG1-CG1 4.39Å; V64-V152 HydrophobicContact CG2-CG1 4.07Å; V143-V152 HydrophobicContact CG1-CG2 3.84Å; V152-L195 HydrophobicContact CB-CB 4.36Å; V152-L195 HydrophobicContact CB-CD2 4.36Å; V152-L195 HydrophobicContact CG2-CD2 3.8Å; V152-T196 CarbonylContact C-O 3.59Å; V152-T196 WeakPolarHBondContact CA-O 3.4Å; V152-I201 HydrophobicContact CG1-CD1 4Å; V152-L207 HydrophobicContact CG1-CB 4.47Å; V152-L207 HydrophobicContact CG1-CD2 4.08Å; V152-L207 HydrophobicContact CG2-CB 4.46Å; V152-L208 WeakPolarHBondContact CG2-O 3.32Å; V152-L208 PolarHBondContact N-O 3.16Å; V152-L208 VanDerWaalsContact N-O 3.13Å; V152-F209 HydrophobicContact CG2-CB 4.09Å |
| 153 | Q | 95.6 | Very high | 92.2 | Very high | 102 Ų | 102 | 62.5 Ų | 62.5 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 142.1 | 178.8 | -66.7 | 173.1 | -7.9 | 0 | 0 | 110 | L195 T196 | Q153-L195 CarbonylContact O-C 3.57Å; Q153-L195 WeakPolarHBondContact O-CA 3.08Å; Q153-T196 PolarHBondContact N-O 3.15Å; Q153-T196 PolarHBondContact O-N 3.37Å |
| 154 | F | 96.5 | Very high | 91.9 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 139.3 | 173.9 | -66.9 | -86.1 | 0 | 0 | 0 | 110.7 | Y67 Y89 V193 V194 L195 F209 T212 | Y67-F154 AromaticContact CD2-CE1 3.83Å; Y67-F154 HydrophobicContact CD2-CE1 3.83Å; Y67-F154 HydrophobicContact CE2-CE1 4.32Å; Y89-F154 HydrophobicContact CD2-CD1 4.01Å; Y89-F154 HydrophobicContact CD2-CE1 4.17Å; Y89-F154 HydrophobicContact CD2-CG 4.43Å; Y89-F154 HydrophobicContact CE2-CB 3.89Å; Y89-F154 AromaticContact CE2-CD1 3.68Å; Y89-F154 HydrophobicContact CE2-CD1 3.68Å; Y89-F154 HydrophobicContact CE2-CD2 4.35Å; Y89-F154 HydrophobicContact CE2-CE1 4.26Å; Y89-F154 AromaticContact CE2-CG 3.72Å; Y89-F154 HydrophobicContact CE2-CG 3.72Å; F154-V193 HydrophobicContact CB-CG1 4.42Å; F154-V193 HydrophobicContact CD1-CG1 3.61Å; F154-V193 HydrophobicContact CE1-CG1 4.39Å; F154-V193 HydrophobicContact CG-CG1 4.48Å; F154-V194 CarbonylContact C-O 3.55Å; F154-V194 WeakPolarHBondContact CA-O 3.45Å; F154-L195 HydrophobicContact CD1-CD1 4Å; F154-L195 HydrophobicContact CD1-CD2 4.3Å; F154-L195 HydrophobicContact CD1-CG 3.87Å; F154-L195 HydrophobicContact CE1-CD1 3.75Å; F154-L195 HydrophobicContact CE1-CD2 3.91Å; F154-L195 HydrophobicContact CE1-CG 3.84Å; F154-L195 HydrophobicContact CE2-CD2 4.42Å; F154-L195 HydrophobicContact CG-CG 4.46Å; F154-L195 HydrophobicContact CZ-CD2 3.96Å; F154-L195 HydrophobicContact CZ-CG 4.39Å; F154-F209 HydrophobicContact CD2-CB 4.43Å; F154-F209 HydrophobicContact CD2-CD2 4.46Å; F154-F209 HydrophobicContact CE2-CB 3.81Å; F154-F209 HydrophobicContact CE2-CD1 4.11Å; F154-F209 AromaticContact CE2-CD2 3.62Å; F154-F209 HydrophobicContact CE2-CD2 3.62Å; F154-F209 HydrophobicContact CE2-CE2 4.2Å; F154-F209 AromaticContact CE2-CG 3.6Å; F154-F209 HydrophobicContact CE2-CG 3.6Å; F154-F209 HydrophobicContact CZ-CD1 4.32Å; F154-F209 HydrophobicContact CZ-CG 4.25Å; F154-T212 HydrophobicContact CD2-CG2 3.88Å; F154-T212 HydrophobicContact CE2-CG2 4.2Å; F154-T212 HydrophobicContact CG-CG2 4.47Å |
| 155 | K | 96.4 | Very high | 91.8 | Very high | 92 Ų | 92 | 65.1 Ų | 65.1 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 134.1 | 171 | -67.6 | -167.8 | 178.4 | 176.7 | 0 | 109.6 | V193 V194 T196 | K155-V193 WeakPolarHBondContact O-CA 3.01Å; K155-V194 HydrophobicContact CB-CG2 4.03Å; K155-V194 PolarHBondContact N-O 2.77Å; K155-V194 PolarHBondContact O-N 2.92Å; K155-T196 HydrophobicContact CD-CG2 3.83Å; K155-T196 VanDerWaalsContact CE-OG1 3.22Å; K155-T196 WeakPolarHBondContact CE-OG1 3.35Å; K155-T196 HydrophobicContact CG-CG2 4.34Å |
| 156 | E | 96.7 | Very high | 91.5 | Very high | 55 Ų | 55 | 64 Ų | 64 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.7 | 177.6 | -55 | 178.1 | -164.6 | 0 | 0 | 108.1 | Y89 C91 Q92 R191 V193 | Y89-E156 HydrophobicContact CE1-CG 4.14Å; Y89-E156 WeakPolarHBondContact CE1-OE1 3.18Å; Y89-E156 PolarHBondContact OH-OE1 3.37Å; C91-E156 VanDerWaalsContact CA-OE1 3.27Å; C91-E156 WeakPolarHBondContact CA-OE1 3.42Å; C91-E156 VanDerWaalsContact CB-OE2 3.26Å; C91-E156 WeakPolarHBondContact CB-OE2 3.15Å; Q92-E156 PolarHBondContact N-OE1 3.26Å; Q92-E156 PolarHBondContact N-OE2 3.02Å; Q92-E156 VanDerWaalsContact N-OE2 3.11Å; E156-R191 IonicContact OE2-NH1 3.36Å; E156-R191 PolarHBondContact OE2-NH1 2.78Å; E156-V193 HydrophobicContact CG-CG2 4.21Å |
| 157 | L | 95.2 | Very high | 91.4 | Very high | 68 Ų | 68 | 69.4 Ų | 69.4 | 36% | 0.356 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 149.4 | 175.5 | 66.9 | 99.9 | 0 | 0 | 0 | 110.4 | L159 L192 V194 | L157-L159 HydrophobicContact CD1-CB 4.5Å; L157-L192 HydrophobicContact CD1-CB 4.06Å; L157-L192 HydrophobicContact CD1-CD1 4.24Å; L157-L192 HydrophobicContact CG-CB 4.12Å; L157-L192 PolarHBondContact N-O 2.85Å; L157-L192 PolarHBondContact O-N 2.83Å; L157-V194 HydrophobicContact CD2-CB 4.5Å; L157-V194 HydrophobicContact CD2-CG1 3.94Å; L157-V194 HydrophobicContact CD2-CG2 3.73Å |
| 158 | D | 93.8 | Very high | 91.7 | Very high | 82 Ų | 82 | 66.9 Ų | 66.9 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.2 | 175.8 | -70.5 | -46 | 0 | 0 | 0 | 109.5 | N189 R191 | D158-N189 HydrophobicContact CB-CB 4.31Å; D158-R191 WeakPolarHBondContact OD1-CA 3.5Å; D158-R191 IonicContact OD1-CZ 3.83Å; D158-R191 IonicContact OD1-NE 3.88Å; D158-R191 PolarHBondContact OD1-NE 2.87Å; D158-R191 IonicContact OD1-NH2 3.85Å; D158-R191 PolarHBondContact OD1-NH2 2.97Å; D158-R191 IonicContact OD2-CZ 3.28Å; D158-R191 IonicContact OD2-NE 2.75Å; D158-R191 IonicContact OD2-NH2 2.66Å; D158-R191 PolarHBondContact OD2-NH2 2.94Å |
| 159 | L | 93.1 | Very high | 92 | Very high | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 114.4 | 178.6 | -172.7 | 69.5 | 0 | 0 | 0 | 109.8 | L157 L161 F164 L172 N189 L190 L192 | L157-L159 HydrophobicContact CD1-CB 4.5Å; L159-L161 HydrophobicContact CD2-CD2 4.05Å; L159-L161 HydrophobicContact CG-CD2 4.47Å; L159-L161 PolarHBondContact O-N 2.75Å; L159-L161 VanDerWaalsContact O-N 3.11Å; L159-F164 HydrophobicContact CD1-CB 4.45Å; L159-F164 HydrophobicContact CD1-CD2 3.63Å; L159-F164 HydrophobicContact CD1-CE2 4.18Å; L159-F164 HydrophobicContact CD1-CG 4.28Å; L159-F164 HydrophobicContact CD2-CB 4.27Å; L159-F164 HydrophobicContact CD2-CD1 4.19Å; L159-F164 HydrophobicContact CD2-CD2 3.69Å; L159-F164 HydrophobicContact CD2-CE1 4.44Å; L159-F164 HydrophobicContact CD2-CE2 3.95Å; L159-F164 HydrophobicContact CD2-CG 3.78Å; L159-F164 HydrophobicContact CD2-CZ 4.32Å; L159-F164 HydrophobicContact CG-CB 4.25Å; L159-F164 HydrophobicContact CG-CD2 4.01Å; L159-F164 HydrophobicContact CG-CG 4.19Å; L159-L172 HydrophobicContact CD2-CD1 3.88Å; L159-L172 HydrophobicContact CD2-CD2 3.85Å; L159-N189 CarbonylContact O-C 3.54Å; L159-N189 VanDerWaalsContact O-CA 3.32Å; L159-N189 WeakPolarHBondContact O-CA 3.42Å; L159-L190 PolarHBondContact N-O 2.69Å; L159-L190 PolarHBondContact O-N 3.5Å; L159-L192 HydrophobicContact CB-CD1 4.16Å; L159-L192 HydrophobicContact CD2-CD1 3.98Å |
| 160 | D | 91.3 | Very high | 92.1 | Very high | 38 Ų | 38 | 64.2 Ų | 64.2 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 103.8 | 171.3 | -174.9 | -8 | 0 | 0 | 0 | 109.7 | R162 T163 F164 N189 | D160-R162 PolarHBondContact O-N 2.83Å; D160-R162 VanDerWaalsContact OD1-CB 3.26Å; D160-R162 WeakPolarHBondContact OD1-CB 3.33Å; D160-R162 IonicContact OD1-CZ 3.68Å; D160-R162 PolarHBondContact OD1-N 2.85Å; D160-R162 IonicContact OD1-NE 2.75Å; D160-R162 PolarHBondContact OD1-NE 3.37Å; D160-R162 IonicContact OD1-NH2 3.76Å; D160-R162 IonicContact OD2-CZ 3.65Å; D160-R162 IonicContact OD2-NE 2.7Å; D160-R162 PolarHBondContact OD2-NE 3.07Å; D160-R162 IonicContact OD2-NH2 3.04Å; D160-R162 PolarHBondContact OD2-NH2 2.98Å; D160-T163 PolarHBondContact O-N 3.28Å; D160-T163 PolarHBondContact O-OG1 3.05Å; D160-F164 PolarHBondContact O-N 3.05Å; D160-N189 WeakPolarHBondContact CA-OD1 3.48Å |
| 161 | L | 86.9 | Confident | 91.9 | Very high | 12 Ų | 12 | 65.6 Ų | 65.6 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.3 | -177.9 | -64.7 | 177.6 | 0 | 0 | 0 | 112.1 | L159 T163 F164 R169 L172 D188 L190 | L159-L161 HydrophobicContact CD2-CD2 4.05Å; L159-L161 HydrophobicContact CG-CD2 4.47Å; L159-L161 PolarHBondContact O-N 2.75Å; L159-L161 VanDerWaalsContact O-N 3.11Å; L161-T163 VanDerWaalsContact C-N 3.28Å; L161-T163 PolarHBondContact O-N 3.34Å; L161-F164 PolarHBondContact O-N 2.93Å; L161-R169 PolarHBondContact O-NH2 3.22Å; L161-L172 HydrophobicContact CD2-CD1 3.84Å; L161-D188 HydrophobicContact CB-CB 4.3Å; L161-D188 VanDerWaalsContact CB-O 3.22Å; L161-D188 WeakPolarHBondContact CB-O 3.42Å; L161-D188 WeakPolarHBondContact CB-OD2 3.49Å; L161-D188 VanDerWaalsContact CG-O 3.24Å; L161-D188 WeakPolarHBondContact CG-O 3.4Å; L161-D188 PolarHBondContact N-O 2.87Å; L161-L190 HydrophobicContact CD1-CB 4.15Å; L161-L190 HydrophobicContact CD2-CB 4.15Å; L161-L190 HydrophobicContact CD2-CD2 4.36Å; L161-L190 HydrophobicContact CG-CB 4.12Å |
| 162 | R | 85.4 | Confident | 91.8 | Very high | 142 Ų | 142 | 66 Ų | 66 | 54% | 0.536 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -32.2 | 177.5 | -60 | 167.9 | -60 | 173.2 | 12.2 | 112.2 | D160 A185 D188 | D160-R162 PolarHBondContact O-N 2.83Å; D160-R162 VanDerWaalsContact OD1-CB 3.26Å; D160-R162 WeakPolarHBondContact OD1-CB 3.33Å; D160-R162 IonicContact OD1-CZ 3.68Å; D160-R162 PolarHBondContact OD1-N 2.85Å; D160-R162 IonicContact OD1-NE 2.75Å; D160-R162 PolarHBondContact OD1-NE 3.37Å; D160-R162 IonicContact OD1-NH2 3.76Å; D160-R162 IonicContact OD2-CZ 3.65Å; D160-R162 IonicContact OD2-NE 2.7Å; D160-R162 PolarHBondContact OD2-NE 3.07Å; D160-R162 IonicContact OD2-NH2 3.04Å; D160-R162 PolarHBondContact OD2-NH2 2.98Å; R162-A185 PolarHBondContact NH1-O 3.13Å; R162-D188 HydrophobicContact CG-CB 3.86Å |
| 163 | T | 89.6 | Confident | 91.7 | Very high | 114 Ų | 114 | 66 Ų | 66 | 70% | 0.699 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -15.6 | 178.6 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | D160 L161 | D160-T163 PolarHBondContact O-N 3.28Å; D160-T163 PolarHBondContact O-OG1 3.05Å; L161-T163 VanDerWaalsContact C-N 3.28Å; L161-T163 PolarHBondContact O-N 3.34Å |
| 164 | F | 90.5 | Very high | 91.6 | Very high | 50 Ų | 50 | 61.3 Ų | 61.3 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -75.5 | 132.2 | 176.9 | -168.7 | -100.9 | 0 | 0 | 0 | 112.4 | L159 D160 L161 S166 L168 R169 L172 | L159-F164 HydrophobicContact CD1-CB 4.45Å; L159-F164 HydrophobicContact CD1-CD2 3.63Å; L159-F164 HydrophobicContact CD1-CE2 4.18Å; L159-F164 HydrophobicContact CD1-CG 4.28Å; L159-F164 HydrophobicContact CD2-CB 4.27Å; L159-F164 HydrophobicContact CD2-CD1 4.19Å; L159-F164 HydrophobicContact CD2-CD2 3.69Å; L159-F164 HydrophobicContact CD2-CE1 4.44Å; L159-F164 HydrophobicContact CD2-CE2 3.95Å; L159-F164 HydrophobicContact CD2-CG 3.78Å; L159-F164 HydrophobicContact CD2-CZ 4.32Å; L159-F164 HydrophobicContact CG-CB 4.25Å; L159-F164 HydrophobicContact CG-CD2 4.01Å; L159-F164 HydrophobicContact CG-CG 4.19Å; D160-F164 PolarHBondContact O-N 3.05Å; L161-F164 PolarHBondContact O-N 2.93Å; F164-S166 PolarHBondContact O-N 2.95Å; F164-S166 VanDerWaalsContact O-N 3.16Å; F164-L168 HydrophobicContact CE1-CB 3.73Å; F164-L168 HydrophobicContact CZ-CB 3.95Å; F164-R169 HydrophobicContact CD1-CG 3.64Å; F164-R169 HydrophobicContact CE1-CG 4.03Å; F164-L172 HydrophobicContact CD1-CD1 4.16Å; F164-L172 HydrophobicContact CE1-CD1 3.9Å; F164-L172 HydrophobicContact CE1-CD2 4.11Å; F164-L172 HydrophobicContact CE1-CG 4.08Å; F164-L172 HydrophobicContact CZ-CD2 3.97Å; F164-L172 HydrophobicContact CZ-CG 4.42Å |
| 165 | P | 91.4 | Very high | 91.4 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | trans | -54.7 | 120.3 | -179.7 | -25.8 | 34 | 0 | 0 | 0 | 112.6 | E167 L168 | P165-E167 VanDerWaalsContact C-N 3.28Å; P165-E167 PolarHBondContact O-N 3.27Å; P165-L168 HydrophobicContact CB-CB 4.4Å; P165-L168 HydrophobicContact CB-CD1 4.06Å; P165-L168 HydrophobicContact CB-CG 4.1Å; P165-L168 HydrophobicContact CG-CD1 4.18Å; P165-L168 PolarHBondContact O-N 3.41Å | ||
| 166 | S | 86.5 | Confident | 91.2 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -61.6 | -35.2 | -173.3 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | F164 L168 R169 | F164-S166 PolarHBondContact O-N 2.95Å; F164-S166 VanDerWaalsContact O-N 3.16Å; S166-L168 PolarHBondContact O-N 3.39Å; S166-R169 WeakPolarHBondContact O-CB 3.32Å; S166-R169 PolarHBondContact O-N 3.18Å |
| 167 | E | 86.4 | Confident | 90.8 | Very high | 124 Ų | 124 | 57.8 Ų | 57.8 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -65.9 | -19.8 | 177.9 | 66.3 | -84.6 | -160.5 | 0 | 0 | 113.7 | P165 K170 | P165-E167 VanDerWaalsContact C-N 3.28Å; P165-E167 PolarHBondContact O-N 3.27Å; E167-K170 WeakPolarHBondContact O-CE 3.4Å |
| 168 | L | 89.6 | Confident | 90.1 | Very high | 79 Ų | 79 | 59 Ų | 59 | 41% | 0.414 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -94 | -14.4 | 177.7 | -62.6 | -176.2 | 0 | 0 | 0 | 113.2 | F164 P165 S166 K170 F171 | F164-L168 HydrophobicContact CE1-CB 3.73Å; F164-L168 HydrophobicContact CZ-CB 3.95Å; P165-L168 HydrophobicContact CB-CB 4.4Å; P165-L168 HydrophobicContact CB-CD1 4.06Å; P165-L168 HydrophobicContact CB-CG 4.1Å; P165-L168 HydrophobicContact CG-CD1 4.18Å; P165-L168 PolarHBondContact O-N 3.41Å; S166-L168 PolarHBondContact O-N 3.39Å; L168-K170 PolarHBondContact O-N 3.19Å; L168-F171 HydrophobicContact CD2-CD2 4.38Å; L168-F171 HydrophobicContact CD2-CE2 4.5Å; L168-F171 WeakPolarHBondContact O-CB 3.43Å; L168-F171 PolarHBondContact O-N 3.48Å |
| 169 | R | 89.9 | Confident | 88.8 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 16% | 0.158 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -60.2 | -32.9 | -176 | -68 | 180 | -168.8 | 171.9 | 3.4 | 113.2 | E123 N124 L161 F164 S166 F171 L172 | E123-R169 CarbonylContact C-O 3.48Å; E123-R169 CarbonylContact O-C 3.39Å; E123-R169 WeakPolarHBondContact OE2-CD 3.42Å; E123-R169 IonicContact OE2-CZ 2.79Å; E123-R169 IonicContact OE2-NE 3.66Å; E123-R169 IonicContact OE2-NH1 3.76Å; E123-R169 PolarHBondContact OE2-NH1 3.03Å; N124-R169 WeakPolarHBondContact CA-O 3.36Å; L161-R169 PolarHBondContact O-NH2 3.22Å; F164-R169 HydrophobicContact CD1-CG 3.64Å; F164-R169 HydrophobicContact CE1-CG 4.03Å; S166-R169 WeakPolarHBondContact O-CB 3.32Å; S166-R169 PolarHBondContact O-N 3.18Å; R169-F171 PolarHBondContact O-N 3.32Å; R169-L172 HydrophobicContact CB-CD1 4.2Å; R169-L172 HydrophobicContact CG-CD1 4.14Å; R169-L172 VanDerWaalsContact O-CB 3.28Å; R169-L172 WeakPolarHBondContact O-CB 3.32Å; R169-L172 WeakPolarHBondContact O-CG 3.47Å; R169-L172 PolarHBondContact O-N 3.45Å |
| 170 | K | 89 | Confident | 86.8 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 47% | 0.47 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -55.6 | -15.3 | 173 | 69.5 | -175.9 | 178.1 | -174.1 | 0 | 115.1 | N124 D125 E167 L168 | N124-K170 CarbonylContact C-O 3.58Å; D125-K170 VanDerWaalsContact CA-O 3.31Å; D125-K170 WeakPolarHBondContact CA-O 3.27Å; D125-K170 WeakPolarHBondContact CB-O 3.4Å; D125-K170 PolarHBondContact N-O 2.93Å; E167-K170 WeakPolarHBondContact O-CE 3.4Å; L168-K170 PolarHBondContact O-N 3.19Å |
| 171 | F | 91.1 | Very high | 84.7 | Confident | 81 Ų | 81 | 67.5 Ų | 67.5 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -100.7 | -3.7 | 176.1 | -59.6 | -65.4 | 0 | 0 | 0 | 113.6 | V134 N135 L168 R169 P173 | V134-F171 HydrophobicContact CG1-CD1 4.3Å; V134-F171 HydrophobicContact CG1-CE1 3.88Å; N135-F171 PolarHBondContact ND2-O 3.07Å; L168-F171 HydrophobicContact CD2-CD2 4.38Å; L168-F171 HydrophobicContact CD2-CE2 4.5Å; L168-F171 WeakPolarHBondContact O-CB 3.43Å; L168-F171 PolarHBondContact O-N 3.48Å; R169-F171 PolarHBondContact O-N 3.32Å; F171-P173 WeakPolarHBondContact O-CD 3.41Å |
| 172 | L | 94.1 | Very high | 82.8 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | trans | -73.1 | 118.5 | 175.2 | -65.1 | 174.7 | 0 | 0 | 0 | 109 | N124 D125 L159 L161 F164 R169 S174 L190 L192 | N124-L172 CarbonylContact C-O 3.53Å; N124-L172 VanDerWaalsContact CA-O 3.31Å; N124-L172 WeakPolarHBondContact CA-O 3.34Å; N124-L172 VanDerWaalsContact CB-O 3.32Å; N124-L172 WeakPolarHBondContact CB-O 3.48Å; D125-L172 PolarHBondContact N-O 3Å; L159-L172 HydrophobicContact CD2-CD1 3.88Å; L159-L172 HydrophobicContact CD2-CD2 3.85Å; L161-L172 HydrophobicContact CD2-CD1 3.84Å; F164-L172 HydrophobicContact CD1-CD1 4.16Å; F164-L172 HydrophobicContact CE1-CD1 3.9Å; F164-L172 HydrophobicContact CE1-CD2 4.11Å; F164-L172 HydrophobicContact CE1-CG 4.08Å; F164-L172 HydrophobicContact CZ-CD2 3.97Å; F164-L172 HydrophobicContact CZ-CG 4.42Å; R169-L172 HydrophobicContact CB-CD1 4.2Å; R169-L172 HydrophobicContact CG-CD1 4.14Å; R169-L172 VanDerWaalsContact O-CB 3.28Å; R169-L172 WeakPolarHBondContact O-CB 3.32Å; R169-L172 WeakPolarHBondContact O-CG 3.47Å; R169-L172 PolarHBondContact O-N 3.45Å; L172-S174 PolarHBondContact O-N 2.98Å; L172-S174 VanDerWaalsContact O-N 3.15Å; L172-L190 HydrophobicContact CB-CD2 4.48Å; L172-L190 HydrophobicContact CD1-CD2 4.04Å; L172-L192 HydrophobicContact CD2-CD1 4.21Å | ||
| 173 | P | 95.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -88.9 | 27.4 | -175 | 39.9 | -38.5 | 0 | 0 | 0 | 112.5 | I66 P68 G69 Y109 W128 A138 F171 | I66-P173 HydrophobicContact CB-CG 3.98Å; I66-P173 HydrophobicContact CD1-CG 4.4Å; I66-P173 HydrophobicContact CG2-CG 3.58Å; P68-P173 CarbonylContact C-O 3.56Å; P68-P173 VanDerWaalsContact CA-O 3.24Å; P68-P173 WeakPolarHBondContact CA-O 3.48Å; P68-P173 HydrophobicContact CB-CB 3.77Å; P68-P173 HydrophobicContact CB-CG 4.22Å; P68-P173 WeakPolarHBondContact CB-O 3.29Å; G69-P173 PolarHBondContact N-O 2.84Å; Y109-P173 PolarHBondContact OH-O 3.32Å; W128-P173 HydrophobicContact CB-CB 4.28Å; W128-P173 HydrophobicContact CG-CB 4.24Å; A138-P173 HydrophobicContact CB-CB 3.58Å; A138-P173 HydrophobicContact CB-CG 3.92Å; F171-P173 WeakPolarHBondContact O-CD 3.41Å | ||
| 174 | S | 95.3 | Very high | 79 | Confident | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.014 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145.3 | -176.6 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | G69 Y109 L172 L192 | G69-S174 VanDerWaalsContact O-CA 3.32Å; G69-S174 WeakPolarHBondContact O-CA 3.2Å; Y109-S174 PolarHBondContact OH-N 2.78Å; L172-S174 PolarHBondContact O-N 2.98Å; L172-S174 VanDerWaalsContact O-N 3.15Å; S174-L192 WeakPolarHBondContact OG-CD2 3.46Å |
| 175 | V | 92.2 | Very high | 77 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 144 | 178.8 | 71.9 | 0 | 0 | 0 | 0 | 109.9 | G69 T70 V71 Y109 C112 | G69-V175 PolarHBondContact O-N 2.81Å; T70-V175 CarbonylContact C-O 3.57Å; T70-V175 WeakPolarHBondContact CA-O 3.31Å; T70-V175 HydrophobicContact CG2-CG1 4.45Å; V71-V175 PolarHBondContact N-O 3.14Å; Y109-V175 HydrophobicContact CD1-CG1 4.3Å; Y109-V175 HydrophobicContact CD2-CG1 3.48Å; Y109-V175 VanDerWaalsContact CD2-CG1 3.48Å; Y109-V175 HydrophobicContact CE1-CG1 4.3Å; Y109-V175 HydrophobicContact CE2-CB 4.1Å; Y109-V175 HydrophobicContact CE2-CG1 3.46Å; Y109-V175 VanDerWaalsContact CE2-CG1 3.46Å; Y109-V175 HydrophobicContact CG-CG1 3.9Å; C112-V175 HydrophobicContact CB-CB 4.44Å; C112-V175 HydrophobicContact CB-CG1 3.79Å; C112-V175 HydrophobicContact CB-CG2 3.71Å |
| 176 | R | 90.5 | Very high | 75.1 | Confident | 32 Ų | 32 | 83.5 Ų | 83.5 | 12% | 0.121 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 135.1 | 174.4 | -62.2 | -169.8 | -155.3 | 117 | 23.9 | 111 | R115 F178 E187 D188 N189 L190 | R115-R176 PolarHBondContact NH2-O 3.28Å; R176-F178 VanDerWaalsContact C-N 3.34Å; R176-F178 PolarHBondContact O-N 3.48Å; R176-E187 PolarHBondContact NH1-O 2.93Å; R176-D188 IonicContact NH1-OD1 2.95Å; R176-D188 PolarHBondContact NH2-O 3.43Å; R176-D188 VanDerWaalsContact NH2-O 3.13Å; R176-D188 IonicContact NH2-OD1 3.4Å; R176-N189 PolarHBondContact NE-O 2.81Å; R176-N189 VanDerWaalsContact NH2-N 3.13Å; R176-N189 PolarHBondContact NH2-O 3.18Å; R176-L190 HydrophobicContact CG-CD1 3.98Å |
| 177 | Y | 88.6 | Confident | 73.8 | Confident | 60 Ų | 60 | 85.2 Ų | 85.2 | 24% | 0.235 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -59.5 | -47.1 | 173.6 | 175.6 | -116 | 0 | 0 | 0 | 111.1 | T70 V71 Y72 E76 I108 C112 R115 | T70-Y177 HydrophobicContact CG2-CD2 4.32Å; T70-Y177 HydrophobicContact CG2-CG 4.48Å; V71-Y177 WeakPolarHBondContact O-CB 3.44Å; V71-Y177 PolarHBondContact O-N 2.99Å; Y72-Y177 VanDerWaalsContact CD1-CB 3.45Å; Y72-Y177 AromaticContact CD1-CD1 3.65Å; Y72-Y177 HydrophobicContact CD1-CD1 3.65Å; Y72-Y177 HydrophobicContact CD1-CD2 4.12Å; Y72-Y177 HydrophobicContact CD1-CE1 4.43Å; Y72-Y177 AromaticContact CD1-CG 3.46Å; Y72-Y177 HydrophobicContact CD1-CG 3.46Å; Y72-Y177 VanDerWaalsContact CD1-CG 3.46Å; Y72-Y177 AromaticContact CE1-CD1 3.74Å; Y72-Y177 HydrophobicContact CE1-CD1 3.74Å; Y72-Y177 AromaticContact CE1-CD2 3.42Å; Y72-Y177 HydrophobicContact CE1-CD2 3.42Å; Y72-Y177 VanDerWaalsContact CE1-CD2 3.42Å; Y72-Y177 HydrophobicContact CE1-CE1 4.28Å; Y72-Y177 HydrophobicContact CE1-CE2 4Å; Y72-Y177 AromaticContact CE1-CG 3.26Å; Y72-Y177 HydrophobicContact CE1-CG 3.26Å; E76-Y177 HydrophobicContact CB-CD1 4.26Å; E76-Y177 HydrophobicContact CG-CD1 4.32Å; E76-Y177 WeakPolarHBondContact OE2-CD1 3.37Å; I108-Y177 HydrophobicContact CG2-CD2 3.58Å; I108-Y177 HydrophobicContact CG2-CE2 3.76Å; C112-Y177 PolarHBondContact SG-O 3.21Å; C112-Y177 VanDerWaalsContact SG-O 3.4Å; R115-Y177 PolarHBondContact NH1-O 2.86Å |
| 178 | F | 80.9 | Confident | 73.4 | Confident | 93 Ų | 93 | 80.3 Ų | 80.3 | 41% | 0.408 | 37% | 0.372 | S | S | . | . | trans | -134.3 | 151.4 | -179.7 | -159.3 | -102.7 | 0 | 0 | 0 | 111.4 | E76 R176 F180 | E76-F178 WeakPolarHBondContact OE1-CB 3.3Å; R176-F178 VanDerWaalsContact C-N 3.34Å; R176-F178 PolarHBondContact O-N 3.48Å; F178-F180 AromaticContact CD1-CD2 3.75Å; F178-F180 HydrophobicContact CD1-CD2 3.75Å; F178-F180 HydrophobicContact CD1-CE2 4.48Å; F178-F180 AromaticContact CE1-CD2 3.53Å; F178-F180 HydrophobicContact CE1-CD2 3.53Å; F178-F180 AromaticContact CE1-CE2 3.98Å; F178-F180 HydrophobicContact CE1-CE2 3.98Å; F178-F180 HydrophobicContact CE1-CG 4.29Å | ||
| 179 | R | 67.3 | Low | 73.4 | Confident | 90 Ų | 90 | 80 Ų | 80 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | trans | -112.2 | 101.3 | 166.6 | -67.6 | -161.1 | -173.5 | -133.1 | 3.8 | 107.2 | D116 D188 | D116-R179 IonicContact OD1-NE 2.83Å; D116-R179 IonicContact OD2-CZ 3.73Å; D116-R179 IonicContact OD2-NE 3.53Å; D116-R179 PolarHBondContact OD2-NE 2.81Å; D116-R179 IonicContact OD2-NH2 3.89Å; D116-R179 PolarHBondContact OD2-NH2 2.84Å; R179-D188 IonicContact CZ-OD1 3.48Å; R179-D188 IonicContact NH1-OD1 3.56Å; R179-D188 PolarHBondContact NH1-OD1 3.09Å | ||
| 180 | F | 50.1 | Low | 73.4 | Confident | 154 Ų | 154 | 78.3 Ų | 78.3 | 68% | 0.675 | 37% | 0.365 | S | S | * | . | trans | -70.7 | 141.9 | 162.7 | -123.8 | -91.8 | 0 | 0 | 0 | 107 | F178 | F178-F180 AromaticContact CD1-CD2 3.75Å; F178-F180 HydrophobicContact CD1-CD2 3.75Å; F178-F180 HydrophobicContact CD1-CE2 4.48Å; F178-F180 AromaticContact CE1-CD2 3.53Å; F178-F180 HydrophobicContact CE1-CD2 3.53Å; F178-F180 AromaticContact CE1-CE2 3.98Å; F178-F180 HydrophobicContact CE1-CE2 3.98Å; F178-F180 HydrophobicContact CE1-CG 4.29Å | ||
| 181 | N | 47.6 | Very low | 73.7 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | trans | 77 | 114.4 | -176.4 | -70.6 | -24.9 | 0 | 0 | 0 | 118.3 | N183 | N181-N183 HydrophobicContact CB-CB 4.23Å; N181-N183 PolarHBondContact O-N 3.19Å | ||
| 182 | Q | 47.6 | Very low | 73.9 | Confident | 194 Ų | 194 | 70.8 Ų | 70.8 | 91% | 0.907 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -63.7 | -14.9 | 159.4 | -63.3 | 178.8 | 3.4 | 0 | 0 | 112 | R184 | Q182-R184 PolarHBondContact O-N 3.48Š|
| 183 | N | 44.8 | Very low | 74.1 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | trans | -71.3 | 81.3 | 164.6 | -79.9 | -9.8 | 0 | 0 | 0 | 109.6 | N181 A185 | N181-N183 HydrophobicContact CB-CB 4.23Å; N181-N183 PolarHBondContact O-N 3.19Å; N183-A185 PolarHBondContact O-N 3.3Å | ||
| 184 | R | 49 | Very low | 74.2 | Confident | 199 Ų | 199 | 70.7 Ų | 70.7 | 75% | 0.751 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -15 | 173.3 | -68.3 | -174.2 | 177.2 | -159.8 | -0.6 | 114.2 | Q182 | Q182-R184 PolarHBondContact O-N 3.48Š|
| 185 | A | 50.1 | Low | 74.3 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -33.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R162 N183 | R162-A185 PolarHBondContact NH1-O 3.13Å; N183-A185 PolarHBondContact O-N 3.3Å |
| 186 | E | 49.5 | Very low | 74.6 | Confident | 143 Ų | 143 | 70.6 Ų | 70.6 | 67% | 0.668 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -24.6 | -164.8 | -71.7 | -179.9 | 174.2 | 0 | 0 | 114.7 | ||
| 187 | E | 60.9 | Low | 74.9 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | trans | -131.2 | 58 | -175.3 | -66.8 | -178.9 | -168.9 | 0 | 0 | 112.9 | R176 N189 | R176-E187 PolarHBondContact NH1-O 2.93Å; E187-N189 VanDerWaalsContact C-N 3.27Å; E187-N189 PolarHBondContact O-N 2.9Å | ||
| 188 | D | 78.1 | Confident | 75.3 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | trans | -92.9 | 25.4 | 170.9 | -140.5 | 19.2 | 0 | 0 | 0 | 113.3 | L161 R162 R176 R179 | L161-D188 HydrophobicContact CB-CB 4.3Å; L161-D188 VanDerWaalsContact CB-O 3.22Å; L161-D188 WeakPolarHBondContact CB-O 3.42Å; L161-D188 WeakPolarHBondContact CB-OD2 3.49Å; L161-D188 VanDerWaalsContact CG-O 3.24Å; L161-D188 WeakPolarHBondContact CG-O 3.4Å; L161-D188 PolarHBondContact N-O 2.87Å; R162-D188 HydrophobicContact CG-CB 3.86Å; R176-D188 IonicContact NH1-OD1 2.95Å; R176-D188 PolarHBondContact NH2-O 3.43Å; R176-D188 VanDerWaalsContact NH2-O 3.13Å; R176-D188 IonicContact NH2-OD1 3.4Å; R179-D188 IonicContact CZ-OD1 3.48Å; R179-D188 IonicContact NH1-OD1 3.56Å; R179-D188 PolarHBondContact NH1-OD1 3.09Å | ||
| 189 | N | 88.2 | Confident | 76.1 | Confident | 73 Ų | 73 | 68 Ų | 68 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118 | 176.4 | -69.9 | -23 | 0 | 0 | 0 | 113.1 | D158 L159 D160 R176 E187 | D158-N189 HydrophobicContact CB-CB 4.31Å; L159-N189 CarbonylContact O-C 3.54Å; L159-N189 VanDerWaalsContact O-CA 3.32Å; L159-N189 WeakPolarHBondContact O-CA 3.42Å; D160-N189 WeakPolarHBondContact CA-OD1 3.48Å; R176-N189 PolarHBondContact NE-O 2.81Å; R176-N189 VanDerWaalsContact NH2-N 3.13Å; R176-N189 PolarHBondContact NH2-O 3.18Å; E187-N189 VanDerWaalsContact C-N 3.27Å; E187-N189 PolarHBondContact O-N 2.9Å |
| 190 | L | 91.5 | Very high | 77.5 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.5 | 174.2 | 179.1 | 66.4 | 0 | 0 | 0 | 109.8 | V71 L159 L161 L172 R176 L192 | V71-L190 HydrophobicContact CG2-CD1 4.22Å; L159-L190 PolarHBondContact N-O 2.69Å; L159-L190 PolarHBondContact O-N 3.5Å; L161-L190 HydrophobicContact CD1-CB 4.15Å; L161-L190 HydrophobicContact CD2-CB 4.15Å; L161-L190 HydrophobicContact CD2-CD2 4.36Å; L161-L190 HydrophobicContact CG-CB 4.12Å; L172-L190 HydrophobicContact CB-CD2 4.48Å; L172-L190 HydrophobicContact CD1-CD2 4.04Å; R176-L190 HydrophobicContact CG-CD1 3.98Å; L190-L192 HydrophobicContact CD2-CD2 4.06Å; L190-L192 HydrophobicContact CG-CD2 4.24Å; L190-L192 PolarHBondContact O-N 2.79Å |
| 191 | R | 94.2 | Very high | 79.8 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123.8 | 170.8 | 176.3 | 56.8 | 56 | 96.8 | 11.6 | 109.5 | V71 D93 M95 I97 E156 D158 | V71-R191 HydrophobicContact CG1-CB 3.93Å; D93-R191 IonicContact OD1-NH1 3.52Å; D93-R191 IonicContact OD2-CZ 2.94Å; D93-R191 IonicContact OD2-NH1 3.94Å; D93-R191 PolarHBondContact OD2-NH1 3.4Å; D93-R191 IonicContact OD2-NH2 3.1Å; D93-R191 PolarHBondContact OD2-NH2 2.8Å; M95-R191 HydrophobicContact SD-CB 4.12Å; M95-R191 HydrophobicContact SD-CG 4.36Å; I97-R191 HydrophobicContact CD1-CG 4.4Å; E156-R191 IonicContact OE2-NH1 3.36Å; E156-R191 PolarHBondContact OE2-NH1 2.78Å; D158-R191 WeakPolarHBondContact OD1-CA 3.5Å; D158-R191 IonicContact OD1-CZ 3.83Å; D158-R191 IonicContact OD1-NE 3.88Å; D158-R191 PolarHBondContact OD1-NE 2.87Å; D158-R191 IonicContact OD1-NH2 3.85Å; D158-R191 PolarHBondContact OD1-NH2 2.97Å; D158-R191 IonicContact OD2-CZ 3.28Å; D158-R191 IonicContact OD2-NE 2.75Å; D158-R191 IonicContact OD2-NH2 2.66Å; D158-R191 PolarHBondContact OD2-NH2 2.94Å |
| 192 | L | 96.3 | Very high | 82.1 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.8 | 169.7 | -65.4 | 179.4 | 0 | 0 | 0 | 109.4 | L157 L159 L172 S174 L190 | L157-L192 HydrophobicContact CD1-CB 4.06Å; L157-L192 HydrophobicContact CD1-CD1 4.24Å; L157-L192 HydrophobicContact CG-CB 4.12Å; L157-L192 PolarHBondContact N-O 2.85Å; L157-L192 PolarHBondContact O-N 2.83Å; L159-L192 HydrophobicContact CB-CD1 4.16Å; L159-L192 HydrophobicContact CD2-CD1 3.98Å; L172-L192 HydrophobicContact CD2-CD1 4.21Å; S174-L192 WeakPolarHBondContact OG-CD2 3.46Å; L190-L192 HydrophobicContact CD2-CD2 4.06Å; L190-L192 HydrophobicContact CG-CD2 4.24Å; L190-L192 PolarHBondContact O-N 2.79Å |
| 193 | V | 97.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.1 | 168.2 | 171.1 | 0 | 0 | 0 | 0 | 107 | Y67 Y89 I97 F154 K155 E156 | Y67-V193 WeakPolarHBondContact CB-O 3.37Å; Y67-V193 HydrophobicContact CG-CG1 4.46Å; Y67-V193 PolarHBondContact N-O 2.84Å; Y89-V193 HydrophobicContact CD1-CB 4.47Å; Y89-V193 HydrophobicContact CD1-CG1 4.29Å; Y89-V193 HydrophobicContact CD1-CG2 3.63Å; Y89-V193 HydrophobicContact CD2-CG1 4.12Å; Y89-V193 HydrophobicContact CE1-CB 4.47Å; Y89-V193 HydrophobicContact CE1-CG1 4.14Å; Y89-V193 HydrophobicContact CE1-CG2 3.52Å; Y89-V193 HydrophobicContact CE2-CG1 3.97Å; Y89-V193 HydrophobicContact CG-CG1 4.29Å; Y89-V193 HydrophobicContact CG-CG2 4.34Å; I97-V193 HydrophobicContact CD1-CB 3.94Å; I97-V193 HydrophobicContact CD1-CG2 3.44Å; I97-V193 VanDerWaalsContact CD1-CG2 3.44Å; I97-V193 HydrophobicContact CG1-CG2 4.5Å; F154-V193 HydrophobicContact CB-CG1 4.42Å; F154-V193 HydrophobicContact CD1-CG1 3.61Å; F154-V193 HydrophobicContact CE1-CG1 4.39Å; F154-V193 HydrophobicContact CG-CG1 4.48Å; K155-V193 WeakPolarHBondContact O-CA 3.01Å; E156-V193 HydrophobicContact CG-CG2 4.21Å |
| 194 | V | 97.9 | Very high | 86.9 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 152.5 | 178.5 | -59 | 0 | 0 | 0 | 0 | 109.7 | V63 I66 F154 K155 L157 T196 | V63-V194 HydrophobicContact CG1-CB 4.2Å; V63-V194 HydrophobicContact CG1-CG1 4.44Å; V63-V194 HydrophobicContact CG2-CG2 4.42Å; I66-V194 HydrophobicContact CG1-CG1 4.34Å; F154-V194 CarbonylContact C-O 3.55Å; F154-V194 WeakPolarHBondContact CA-O 3.45Å; K155-V194 HydrophobicContact CB-CG2 4.03Å; K155-V194 PolarHBondContact N-O 2.77Å; K155-V194 PolarHBondContact O-N 2.92Å; L157-V194 HydrophobicContact CD2-CB 4.5Å; L157-V194 HydrophobicContact CD2-CG1 3.94Å; L157-V194 HydrophobicContact CD2-CG2 3.73Å; V194-T196 HydrophobicContact CG2-CG2 4.22Å |
| 195 | L | 98 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.2 | 169.6 | -69 | 90.9 | 0 | 0 | 0 | 108.6 | V64 C65 V143 V152 Q153 F154 | V64-L195 WeakPolarHBondContact CB-O 3.36Å; V64-L195 PolarHBondContact N-O 2.74Å; C65-L195 PolarHBondContact O-N 3.27Å; V143-L195 HydrophobicContact CB-CD2 3.96Å; V143-L195 HydrophobicContact CG1-CD2 3.87Å; V143-L195 HydrophobicContact CG2-CD2 3.91Å; V152-L195 HydrophobicContact CB-CB 4.36Å; V152-L195 HydrophobicContact CB-CD2 4.36Å; V152-L195 HydrophobicContact CG2-CD2 3.8Å; Q153-L195 CarbonylContact O-C 3.57Å; Q153-L195 WeakPolarHBondContact O-CA 3.08Å; F154-L195 HydrophobicContact CD1-CD1 4Å; F154-L195 HydrophobicContact CD1-CD2 4.3Å; F154-L195 HydrophobicContact CD1-CG 3.87Å; F154-L195 HydrophobicContact CE1-CD1 3.75Å; F154-L195 HydrophobicContact CE1-CD2 3.91Å; F154-L195 HydrophobicContact CE1-CG 3.84Å; F154-L195 HydrophobicContact CE2-CD2 4.42Å; F154-L195 HydrophobicContact CG-CG 4.46Å; F154-L195 HydrophobicContact CZ-CD2 3.96Å; F154-L195 HydrophobicContact CZ-CG 4.39Å |
| 196 | T | 97.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.4 | 176.1 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | S62 V63 V152 Q153 K155 V194 S198 | S62-T196 CarbonylContact O-C 3.58Å; S62-T196 WeakPolarHBondContact O-CA 3.22Å; V63-T196 HydrophobicContact CG2-CG2 4.21Å; V152-T196 CarbonylContact C-O 3.59Å; V152-T196 WeakPolarHBondContact CA-O 3.4Å; Q153-T196 PolarHBondContact N-O 3.15Å; Q153-T196 PolarHBondContact O-N 3.37Å; K155-T196 HydrophobicContact CD-CG2 3.83Å; K155-T196 VanDerWaalsContact CE-OG1 3.22Å; K155-T196 WeakPolarHBondContact CE-OG1 3.35Å; K155-T196 HydrophobicContact CG-CG2 4.34Å; V194-T196 HydrophobicContact CG2-CG2 4.22Å; T196-S198 PolarHBondContact O-N 3.19Å |
| 197 | A | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I58 K59 N61 S62 V64 N151 R199 I201 | I58-A197 HydrophobicContact CG2-CB 3.53Å; K59-A197 WeakPolarHBondContact O-CB 3.31Å; N61-A197 WeakPolarHBondContact CA-O 3.5Å; N61-A197 PolarHBondContact N-O 3.12Å; S62-A197 PolarHBondContact O-N 3.24Å; V64-A197 HydrophobicContact CG2-CB 3.84Å; N151-A197 CarbonylContact O-C 3.56Å; N151-A197 WeakPolarHBondContact O-CA 3.36Å; A197-R199 VanDerWaalsContact C-N 3.33Å; A197-R199 WeakPolarHBondContact CB-O 3.43Å; A197-I201 HydrophobicContact CB-CD1 3.89Å; A197-I201 HydrophobicContact CB-CG1 4.22Å |
| 198 | S | 96.2 | Very high | 95.5 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -80.6 | -18.3 | 175.9 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | K60 N151 T196 | K60-S198 WeakPolarHBondContact CE-O 3.5Å; N151-S198 VanDerWaalsContact CA-OG 3.26Å; N151-S198 WeakPolarHBondContact CA-OG 3.31Å; N151-S198 PolarHBondContact O-N 3.28Å; N151-S198 PolarHBondContact O-OG 3.14Å; T196-S198 PolarHBondContact O-N 3.19Å |
| 199 | R | 97 | Very high | 96.2 | Very high | 102 Ų | 102 | 35.9 Ų | 35.9 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -148.9 | 173.3 | 175.5 | 59.3 | 165.7 | 176.4 | 87 | -7.7 | 109.9 | N151 A197 I201 E205 | N151-R199 HydrophobicContact CB-CG 4.23Å; A197-R199 VanDerWaalsContact C-N 3.33Å; A197-R199 WeakPolarHBondContact CB-O 3.43Å; R199-I201 VanDerWaalsContact O-CG1 3.3Å; R199-I201 WeakPolarHBondContact O-CG1 3.41Å; R199-E205 IonicContact CZ-OE2 2.87Å; R199-E205 VanDerWaalsContact CZ-OE2 3.26Å; R199-E205 IonicContact NH1-OE1 3.19Å; R199-E205 PolarHBondContact NH1-OE1 2.9Å; R199-E205 IonicContact NH1-OE2 3.71Å; R199-E205 PolarHBondContact NH1-OE2 3.2Å; R199-E205 IonicContact NH2-OE2 2.85Å; R199-E205 PolarHBondContact NH2-OE2 3.04Å |
| 200 | D | 97.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 32% | 0.316 | 19% | 0.185 | S | C | . | . | trans | -60.3 | 137.3 | 165.8 | -81.5 | 17.1 | 0 | 0 | 0 | 110.2 | K57 I58 K59 K60 | K57-D200 WeakPolarHBondContact CE-OD2 3.3Å; K57-D200 IonicContact NZ-OD2 3.26Å; K57-D200 PolarHBondContact NZ-OD2 3.48Å; I58-D200 CarbonylContact O-C 3.59Å; I58-D200 VanDerWaalsContact O-CA 3.29Å; I58-D200 WeakPolarHBondContact O-CA 3.21Å; K59-D200 WeakPolarHBondContact CA-OD1 3.21Å; K59-D200 IonicContact NZ-OD2 2.69Å; K60-D200 PolarHBondContact N-OD1 2.78Å | ||
| 201 | I | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130.8 | -178.6 | -32.4 | 176.6 | 0 | 0 | 0 | 109.2 | I53 K57 I58 N151 V152 A197 R199 E205 L207 | I53-I201 HydrophobicContact CD1-CB 3.49Å; I53-I201 VanDerWaalsContact CD1-CB 3.49Å; I53-I201 HydrophobicContact CD1-CG2 3.29Å; K57-I201 WeakPolarHBondContact CG-O 3.28Å; I58-I201 HydrophobicContact CB-CB 4.14Å; I58-I201 HydrophobicContact CB-CD1 4.47Å; I58-I201 HydrophobicContact CB-CG1 4.28Å; I58-I201 HydrophobicContact CD1-CD1 4.47Å; I58-I201 HydrophobicContact CG2-CD1 4.4Å; I58-I201 HydrophobicContact CG2-CG1 4.49Å; I58-I201 PolarHBondContact N-O 3.29Å; I58-I201 PolarHBondContact O-N 3.07Å; N151-I201 HydrophobicContact CB-CD1 3.82Å; N151-I201 HydrophobicContact CB-CG1 4.08Å; N151-I201 HydrophobicContact CB-CG2 4.49Å; N151-I201 WeakPolarHBondContact O-CD1 3.44Å; V152-I201 HydrophobicContact CG1-CD1 4Å; A197-I201 HydrophobicContact CB-CD1 3.89Å; A197-I201 HydrophobicContact CB-CG1 4.22Å; R199-I201 VanDerWaalsContact O-CG1 3.3Å; R199-I201 WeakPolarHBondContact O-CG1 3.41Å; I201-E205 HydrophobicContact CG2-CB 3.66Å; I201-E205 HydrophobicContact CG2-CG 4.19Å; I201-L207 HydrophobicContact CD1-CD2 4.05Å |
| 202 | K | 96.7 | Very high | 93.4 | Very high | 137 Ų | 137 | 36.3 Ų | 36.3 | 60% | 0.596 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 158.8 | -175.9 | -57.9 | 179.9 | -176.5 | 176.6 | 0 | 111.4 | E205 | K202-E205 PolarHBondContact N-OE1 3.19Å; K202-E205 WeakPolarHBondContact O-CB 3.38Å; K202-E205 WeakPolarHBondContact O-CG 3.33Å; K202-E205 PolarHBondContact O-N 2.94Å |
| 203 | A | 97 | Very high | 91.4 | Very high | 50 Ų | 50 | 41 Ų | 41 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 143.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I53 G56 E205 | I53-A203 HydrophobicContact CG2-CB 4.43Å; G56-A203 PolarHBondContact O-N 2.84Å; A203-E205 VanDerWaalsContact C-N 3.29Å; A203-E205 PolarHBondContact O-N 2.83Å |
| 204 | G | 96.3 | Very high | 89 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -19 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I53 | I53-G204 PolarHBondContact O-N 2.98Š|
| 205 | E | 96.7 | Very high | 86.3 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 142 | 177.2 | -64.5 | -171.9 | -107.7 | 0 | 0 | 112 | I53 R199 I201 K202 A203 | I53-E205 PolarHBondContact N-O 3.11Å; R199-E205 IonicContact CZ-OE2 2.87Å; R199-E205 VanDerWaalsContact CZ-OE2 3.26Å; R199-E205 IonicContact NH1-OE1 3.19Å; R199-E205 PolarHBondContact NH1-OE1 2.9Å; R199-E205 IonicContact NH1-OE2 3.71Å; R199-E205 PolarHBondContact NH1-OE2 3.2Å; R199-E205 IonicContact NH2-OE2 2.85Å; R199-E205 PolarHBondContact NH2-OE2 3.04Å; I201-E205 HydrophobicContact CG2-CB 3.66Å; I201-E205 HydrophobicContact CG2-CG 4.19Å; K202-E205 PolarHBondContact N-OE1 3.19Å; K202-E205 WeakPolarHBondContact O-CB 3.38Å; K202-E205 WeakPolarHBondContact O-CG 3.33Å; K202-E205 PolarHBondContact O-N 2.94Å; A203-E205 VanDerWaalsContact C-N 3.29Å; A203-E205 PolarHBondContact O-N 2.83Å |
| 206 | K | 96.8 | Very high | 83.3 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -82.2 | 142 | 170.9 | -165.6 | 179.6 | -176.5 | -165.5 | 0 | 110.5 | S49 V51 V52 T144 N151 L208 | S49-K206 WeakPolarHBondContact O-CE 3.45Å; S49-K206 PolarHBondContact O-NZ 2.77Å; V51-K206 CarbonylContact O-C 3.51Å; V51-K206 WeakPolarHBondContact O-CA 3.35Å; V51-K206 VanDerWaalsContact O-CG 3.29Å; V51-K206 WeakPolarHBondContact O-CG 3.44Å; V52-K206 HydrophobicContact CG2-CB 4.27Å; V52-K206 HydrophobicContact CG2-CG 4.15Å; T144-K206 WeakPolarHBondContact OG1-CE 3.35Å; T144-K206 PolarHBondContact OG1-NZ 3.49Å; N151-K206 PolarHBondContact ND2-O 3.18Å; K206-L208 HydrophobicContact CD-CD2 4.05Å; K206-L208 HydrophobicContact CG-CD2 4.25Å; K206-L208 PolarHBondContact O-N 3.41Å |
| 207 | L | 97.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 124.3 | 170.4 | -55.7 | -175.1 | 0 | 0 | 0 | 109.8 | V51 I53 I58 V64 V143 N151 V152 I201 | V51-L207 HydrophobicContact CB-CB 4.36Å; V51-L207 HydrophobicContact CB-CD1 3.97Å; V51-L207 HydrophobicContact CB-CG 4.29Å; V51-L207 HydrophobicContact CG1-CD1 3.59Å; V51-L207 HydrophobicContact CG1-CG 4.18Å; V51-L207 PolarHBondContact O-N 3.13Å; I53-L207 HydrophobicContact CD1-CD2 4.09Å; I53-L207 HydrophobicContact CG1-CD2 3.95Å; I58-L207 HydrophobicContact CD1-CD2 4.4Å; V64-L207 HydrophobicContact CG1-CD1 3.28Å; V64-L207 HydrophobicContact CG1-CD2 3.72Å; V64-L207 HydrophobicContact CG1-CG 4.14Å; V143-L207 HydrophobicContact CG1-CB 3.88Å; V143-L207 WeakPolarHBondContact CG1-O 3.24Å; V143-L207 HydrophobicContact CG2-CB 4.28Å; V143-L207 HydrophobicContact CG2-CD1 4.33Å; N151-L207 WeakPolarHBondContact OD1-CA 2.99Å; V152-L207 HydrophobicContact CG1-CB 4.47Å; V152-L207 HydrophobicContact CG1-CD2 4.08Å; V152-L207 HydrophobicContact CG2-CB 4.46Å; I201-L207 HydrophobicContact CD1-CD2 4.05Å |
| 208 | L | 97.2 | Very high | 77.2 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 118.6 | -174.7 | -63.4 | 177.8 | 0 | 0 | 0 | 109.9 | T144 C150 N151 V152 K206 | T144-L208 VanDerWaalsContact O-CA 3.31Å; T144-L208 WeakPolarHBondContact O-CA 3.32Å; T144-L208 VanDerWaalsContact OG1-CD2 3.31Å; T144-L208 WeakPolarHBondContact OG1-CD2 3.43Å; C150-L208 CarbonylContact C-O 3.59Å; C150-L208 VanDerWaalsContact CA-O 3.28Å; C150-L208 WeakPolarHBondContact CA-O 3.45Å; C150-L208 WeakPolarHBondContact CB-O 3.22Å; N151-L208 PolarHBondContact N-O 2.73Å; N151-L208 PolarHBondContact OD1-N 2.71Å; N151-L208 PolarHBondContact OD1-O 2.66Å; V152-L208 WeakPolarHBondContact CG2-O 3.32Å; V152-L208 PolarHBondContact N-O 3.16Å; V152-L208 VanDerWaalsContact N-O 3.13Å; K206-L208 HydrophobicContact CD-CD2 4.05Å; K206-L208 HydrophobicContact CG-CD2 4.25Å; K206-L208 PolarHBondContact O-N 3.41Å |
| 209 | F | 94.3 | Very high | 74.3 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 149.7 | 173.4 | 75.7 | -93.6 | 0 | 0 | 0 | 110.9 | V143 T144 R145 G146 V152 F154 | V143-F209 HydrophobicContact CB-CD1 4.43Å; V143-F209 HydrophobicContact CG1-CB 4.46Å; V143-F209 HydrophobicContact CG1-CD1 3.98Å; V143-F209 VanDerWaalsContact O-CE1 3.25Å; V143-F209 WeakPolarHBondContact O-CE1 3.39Å; T144-F209 VanDerWaalsContact C-CD1 3.41Å; T144-F209 VanDerWaalsContact O-CD1 3.3Å; T144-F209 WeakPolarHBondContact O-CD1 3.39Å; T144-F209 PolarHBondContact O-N 3.24Å; T144-F209 VanDerWaalsContact O-N 3.08Å; R145-F209 CarbonylContact C-O 3.55Å; R145-F209 WeakPolarHBondContact CA-O 3.39Å; R145-F209 HydrophobicContact CB-CE1 4.11Å; R145-F209 HydrophobicContact CB-CE2 4.08Å; R145-F209 HydrophobicContact CB-CZ 3.76Å; R145-F209 HydrophobicContact CG-CE2 4.32Å; R145-F209 HydrophobicContact CG-CZ 4.48Å; R145-F209 VanDerWaalsContact N-CE1 3.25Å; G146-F209 PolarHBondContact N-O 3.15Å; V152-F209 HydrophobicContact CG2-CB 4.09Å; F154-F209 HydrophobicContact CD2-CB 4.43Å; F154-F209 HydrophobicContact CD2-CD2 4.46Å; F154-F209 HydrophobicContact CE2-CB 3.81Å; F154-F209 HydrophobicContact CE2-CD1 4.11Å; F154-F209 AromaticContact CE2-CD2 3.62Å; F154-F209 HydrophobicContact CE2-CD2 3.62Å; F154-F209 HydrophobicContact CE2-CE2 4.2Å; F154-F209 AromaticContact CE2-CG 3.6Å; F154-F209 HydrophobicContact CE2-CG 3.6Å; F154-F209 HydrophobicContact CZ-CD1 4.32Å; F154-F209 HydrophobicContact CZ-CG 4.25Å |
| 210 | G | 86.4 | Confident | 71.4 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | trans | -83 | -142.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T212 | G210-T212 PolarHBondContact O-N 3.41Š| ||
| 211 | T | 70.6 | Confident | 68.1 | Low | 79 Ų | 79 | 75.4 Ų | 75.4 | 49% | 0.485 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -70.6 | 124.3 | 167 | -50.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 212 | T | 57.2 | Low | 64.8 | Low | 12 Ų | 12 | 85.4 Ų | 85.4 | 7% | 0.074 | 47% | 0.47 | C | S | . | . | trans | -63.3 | 135.2 | 171.7 | -34.3 | 0 | 0 | 0 | 0 | 108.5 | Y89 F154 G210 S214 I215 | Y89-T212 HydrophobicContact CD2-CG2 4.4Å; Y89-T212 HydrophobicContact CE2-CG2 3.78Å; F154-T212 HydrophobicContact CD2-CG2 3.88Å; F154-T212 HydrophobicContact CE2-CG2 4.2Å; F154-T212 HydrophobicContact CG-CG2 4.47Å; G210-T212 PolarHBondContact O-N 3.41Å; T212-S214 PolarHBondContact O-N 2.94Å; T212-I215 PolarHBondContact O-N 2.89Å; T212-I215 VanDerWaalsContact O-N 3.12Å | ||
| 213 | P | 53.9 | Low | 61.6 | Low | 110 Ų | 110 | 87.1 Ų | 87.1 | 71% | 0.714 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -24.9 | -175.9 | -26.2 | 32.7 | 0 | 0 | 0 | 114.8 | ||
| 214 | S | 48 | Very low | 58.5 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -6.5 | -176.4 | 59.5 | 0 | 0 | 0 | 0 | 115.6 | K90 T212 A216 | K90-S214 WeakPolarHBondContact O-CB 3.26Å; K90-S214 PolarHBondContact O-OG 3.3Å; T212-S214 PolarHBondContact O-N 2.94Å; S214-A216 VanDerWaalsContact C-N 3.35Å; S214-A216 PolarHBondContact O-N 2.86Å; S214-A216 VanDerWaalsContact O-N 3.14Å |
| 215 | I | 41.6 | Very low | 55.4 | Low | 55 Ų | 55 | 96 Ų | 96 | 28% | 0.282 | 51% | 0.507 | S | S | . | . | trans | -88.9 | 84.2 | 172 | -54 | 175.1 | 0 | 0 | 0 | 106.9 | T212 D217 W219 F220 | T212-I215 PolarHBondContact O-N 2.89Å; T212-I215 VanDerWaalsContact O-N 3.12Å; I215-D217 PolarHBondContact O-N 2.83Å; I215-W219 HydrophobicContact CG2-CB 4.27Å; I215-F220 HydrophobicContact CG2-CE2 4.48Å | ||
| 216 | A | 33.9 | Very low | 52.2 | Low | 73 Ų | 73 | 97.2 Ų | 97.2 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | trans | -46.9 | 134 | 162 | 0 | 0 | 0 | 0 | 0 | 108.4 | S214 G218 | S214-A216 VanDerWaalsContact C-N 3.35Å; S214-A216 PolarHBondContact O-N 2.86Å; S214-A216 VanDerWaalsContact O-N 3.14Å; A216-G218 PolarHBondContact O-N 2.79Å | ||
| 217 | D | 39.5 | Very low | 49.1 | Very low | 145 Ų | 145 | 102 Ų | 102 | 78% | 0.775 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 15.4 | -169.4 | -75.7 | -48.7 | 0 | 0 | 0 | 116.5 | I215 | I215-D217 PolarHBondContact O-N 2.83Š|
| 218 | G | 29.3 | Very low | 46.3 | Very low | 62 Ų | 62 | 110.9 Ų | 110.9 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -8.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | A216 | A216-G218 PolarHBondContact O-N 2.79Š|
| 219 | W | 34.7 | Very low | 43.8 | Very low | 216 Ų | 216 | 114.2 Ų | 114.2 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -95.7 | -8.6 | -168.3 | -75.9 | 85.8 | 0 | 0 | 0 | 116.6 | I215 | I215-W219 HydrophobicContact CG2-CB 4.27Š|
| 220 | F | 34.7 | Very low | 41.1 | Very low | 154 Ų | 154 | 118.5 Ų | 118.5 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -95.8 | 0.5 | 178.5 | -79.8 | -75.8 | 0 | 0 | 0 | 115.2 | I215 | I215-F220 HydrophobicContact CG2-CE2 4.48Š|
| 221 | Q | 28.5 | Very low | 38.6 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | trans | -135.9 | 76.9 | 178.2 | -62.5 | -157.4 | 4.3 | 0 | 0 | 113.3 | ||||
| 222 | K | 30.2 | Very low | 36.7 | Very low | 211 Ų | 211 | 126.7 Ų | 126.7 | 92% | 0.917 | 70% | 0.702 | S | S | * | * | trans | -112 | 89.4 | 142.8 | -142.8 | 177.4 | -174.3 | -178.7 | 0 | 107.3 | V224 | K222-V224 PolarHBondContact O-N 3.4Š| ||
| 223 | K | 29.5 | Very low | 35.4 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -51.1 | 135.6 | 168.5 | -88.5 | -179.5 | 173.8 | 177.3 | 0 | 108.6 | N225 | K223-N225 PolarHBondContact O-N 2.95Å; K223-N225 VanDerWaalsContact O-N 3.08Å | ||
| 224 | V | 31.8 | Very low | 34.2 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -43.6 | 111.6 | 159.2 | 177 | 0 | 0 | 0 | 0 | 108.1 | K222 | K222-V224 PolarHBondContact O-N 3.4Š| ||
| 225 | N | 30 | Very low | 33.2 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -159.6 | 118.5 | 163.9 | -95.1 | -15.8 | 0 | 0 | 0 | 108.4 | K223 | K223-N225 PolarHBondContact O-N 2.95Å; K223-N225 VanDerWaalsContact O-N 3.08Å | ||
| 226 | G | 30.8 | Very low | 32.5 | Very low | 77 Ų | 77 | 148.1 Ų | 148.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 114.1 | 67.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 227 | I | 30.6 | Very low | 32.4 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 82% | 0.821 | 83% | 0.825 | S | S | * | * | trans | -76.1 | 135.7 | 137 | -65 | 164.2 | 0 | 0 | 0 | 105.6 | ||||
| 228 | P | 39.5 | Very low | 31.8 | Very low | 188 Ų | 188 | 155.2 Ų | 155.2 | 100% | 1.221 | 83% | 0.829 | S | S | * | * | trans | -82.3 | 0 | 141.9 | 19.4 | -3.3 | 0 | 0 | 0 | 110.2 |
Retrieved 228 of 228 residues in 211 ms
(Link to these results)