| 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 | 59.5 | Low | 82.9 | Confident | 214 Ų | 214 | 129.3 Ų | 129.3 | 100% | 1.054 | 64% | 0.641 | S | S | * | * | 0 | -7.5 | 0 | -77.9 | 179.9 | 158.6 | 0 | 0 | 115.6 | I3 | M1-I3 PolarHBondContact O-N 3.4Š| |||
| 2 | K | 70.1 | Confident | 83.8 | Confident | 199 Ų | 199 | 124.3 Ų | 124.3 | 87% | 0.865 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -13.4 | -176.6 | -72.1 | 176.7 | 169.5 | 170.5 | 0 | 115.9 | P6 | K2-P6 WeakPolarHBondContact O-CD 3.48Š|
| 3 | I | 77.3 | Confident | 84.5 | Confident | 127 Ų | 127 | 119.9 Ų | 119.9 | 65% | 0.651 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -20.1 | -174.6 | -60.9 | 165.5 | 0 | 0 | 0 | 112.6 | M1 P6 L7 | M1-I3 PolarHBondContact O-N 3.4Å; I3-P6 VanDerWaalsContact O-CD 3.28Å; I3-P6 WeakPolarHBondContact O-CD 3.3Å; I3-P6 VanDerWaalsContact O-CG 3.3Å; I3-P6 WeakPolarHBondContact O-CG 3.43Å; I3-L7 HydrophobicContact CG2-CD1 3.8Å; I3-L7 WeakPolarHBondContact O-CD1 3.48Å |
| 4 | I | 83.6 | Confident | 85.2 | Confident | 101 Ų | 101 | 118.8 Ų | 118.8 | 52% | 0.518 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.3 | -36.3 | -175.6 | -61.9 | 167.5 | 0 | 0 | 0 | 111.2 | L7 L8 | I4-L7 PolarHBondContact O-N 3Å; I4-L8 HydrophobicContact CG2-CD1 3.79Å; I4-L8 HydrophobicContact CG2-CG 4.34Å; I4-L8 WeakPolarHBondContact O-CG 3.28Å; I4-L8 PolarHBondContact O-N 3.42Å |
| 5 | V | 83.2 | Confident | 85.7 | Confident | 105 Ų | 105 | 116 Ų | 116 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.1 | -51 | -178.5 | -176.2 | 0 | 0 | 0 | 0 | 112.8 | L7 L8 W9 | V5-L7 VanDerWaalsContact C-N 3.32Å; V5-L7 PolarHBondContact O-N 3.36Å; V5-L8 PolarHBondContact O-N 3.1Å; V5-W9 PolarHBondContact O-N 3.28Å |
| 6 | P | 88.4 | Confident | 86.1 | Confident | 73 Ų | 73 | 113.9 Ų | 113.9 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -33.2 | 177.3 | 22.5 | -32.3 | 0 | 0 | 0 | 113 | K2 I3 W9 M10 | K2-P6 WeakPolarHBondContact O-CD 3.48Å; I3-P6 VanDerWaalsContact O-CD 3.28Å; I3-P6 WeakPolarHBondContact O-CD 3.3Å; I3-P6 VanDerWaalsContact O-CG 3.3Å; I3-P6 WeakPolarHBondContact O-CG 3.43Å; P6-W9 PolarHBondContact O-N 3.47Å; P6-M10 WeakPolarHBondContact O-CG 3.42Å; P6-M10 PolarHBondContact O-N 3.49Å; P6-M10 VanDerWaalsContact O-N 3.08Å |
| 7 | L | 87.5 | Confident | 86.2 | Confident | 102 Ų | 102 | 113.6 Ų | 113.6 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.1 | -44.7 | 175.1 | -103.4 | 131.9 | 0 | 0 | 0 | 112.3 | I3 I4 V5 W9 M10 I11 | I3-L7 HydrophobicContact CG2-CD1 3.8Å; I3-L7 WeakPolarHBondContact O-CD1 3.48Å; I4-L7 PolarHBondContact O-N 3Å; V5-L7 VanDerWaalsContact C-N 3.32Å; V5-L7 PolarHBondContact O-N 3.36Å; L7-W9 VanDerWaalsContact C-N 3.26Å; L7-W9 PolarHBondContact O-N 3.35Å; L7-M10 PolarHBondContact O-N 2.99Å; L7-I11 WeakPolarHBondContact O-CG1 3.3Å; L7-I11 PolarHBondContact O-N 3.09Å; L7-I11 VanDerWaalsContact O-N 3.09Å |
| 8 | L | 87.8 | Confident | 86.5 | Confident | 108 Ų | 108 | 111.9 Ų | 111.9 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.1 | -38.8 | 175.1 | -78.6 | 162.2 | 0 | 0 | 0 | 111.8 | I4 V5 I11 C12 | I4-L8 HydrophobicContact CG2-CD1 3.79Å; I4-L8 HydrophobicContact CG2-CG 4.34Å; I4-L8 WeakPolarHBondContact O-CG 3.28Å; I4-L8 PolarHBondContact O-N 3.42Å; V5-L8 PolarHBondContact O-N 3.1Å; L8-I11 PolarHBondContact O-N 3.47Å; L8-C12 WeakPolarHBondContact O-CB 3.49Å; L8-C12 PolarHBondContact O-N 3.38Å |
| 9 | W | 90.4 | Very high | 86.3 | Confident | 179 Ų | 179 | 111.1 Ų | 111.1 | 68% | 0.678 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.2 | -43.5 | 179 | -149 | 66.1 | 0 | 0 | 0 | 111.9 | V5 P6 L7 I11 C12 L13 | V5-W9 PolarHBondContact O-N 3.28Å; P6-W9 PolarHBondContact O-N 3.47Å; L7-W9 VanDerWaalsContact C-N 3.26Å; L7-W9 PolarHBondContact O-N 3.35Å; W9-I11 PolarHBondContact O-N 3.41Å; W9-C12 PolarHBondContact O-N 3.28Å; W9-L13 HydrophobicContact CD2-CD1 4.34Å; W9-L13 HydrophobicContact CE3-CD1 3.75Å; W9-L13 HydrophobicContact CH2-CD1 4.32Å; W9-L13 HydrophobicContact CZ3-CD1 3.74Å; W9-L13 WeakPolarHBondContact O-CG 3.29Å; W9-L13 PolarHBondContact O-N 3.45Å |
| 10 | M | 91.6 | Very high | 86.2 | Confident | 118 Ų | 118 | 108.3 Ų | 108.3 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.2 | -43.5 | 175.8 | -69.1 | -65.3 | -71.6 | 0 | 0 | 112.2 | P6 L7 C12 L13 I14 | P6-M10 WeakPolarHBondContact O-CG 3.42Å; P6-M10 PolarHBondContact O-N 3.49Å; P6-M10 VanDerWaalsContact O-N 3.08Å; L7-M10 PolarHBondContact O-N 2.99Å; M10-C12 VanDerWaalsContact C-N 3.34Å; M10-C12 PolarHBondContact O-N 3.19Å; M10-L13 PolarHBondContact O-N 3.27Å; M10-I14 WeakPolarHBondContact O-CD1 3.43Å; M10-I14 VanDerWaalsContact O-CG1 3.3Å; M10-I14 WeakPolarHBondContact O-CG1 3.4Å; M10-I14 PolarHBondContact O-N 3.41Å; M10-I14 VanDerWaalsContact O-N 3.14Å |
| 11 | I | 92.5 | Very high | 86 | Confident | 96 Ų | 96 | 108 Ų | 108 | 49% | 0.492 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.6 | -42.8 | 177.6 | -64.4 | 164.5 | 0 | 0 | 0 | 110.5 | L7 L8 W9 L13 I14 V15 | L7-I11 WeakPolarHBondContact O-CG1 3.3Å; L7-I11 PolarHBondContact O-N 3.09Å; L7-I11 VanDerWaalsContact O-N 3.09Å; L8-I11 PolarHBondContact O-N 3.47Å; W9-I11 PolarHBondContact O-N 3.41Å; I11-L13 PolarHBondContact O-N 3.14Å; I11-I14 PolarHBondContact O-N 3.31Å; I11-V15 WeakPolarHBondContact O-CG2 3.34Å; I11-V15 PolarHBondContact O-N 3.08Å; I11-V15 VanDerWaalsContact O-N 3.1Å |
| 12 | C | 93.8 | Very high | 86.9 | Confident | 70 Ų | 70 | 101.8 Ų | 101.8 | 47% | 0.473 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 179.1 | -157.4 | 0 | 0 | 0 | 0 | 111.8 | L8 W9 M10 I14 V15 I16 | L8-C12 WeakPolarHBondContact O-CB 3.49Å; L8-C12 PolarHBondContact O-N 3.38Å; W9-C12 PolarHBondContact O-N 3.28Å; M10-C12 VanDerWaalsContact C-N 3.34Å; M10-C12 PolarHBondContact O-N 3.19Å; C12-I14 VanDerWaalsContact C-N 3.35Å; C12-I14 PolarHBondContact O-N 3.48Å; C12-V15 PolarHBondContact O-N 3.45Å; C12-I16 WeakPolarHBondContact O-CG1 3.4Å; C12-I16 PolarHBondContact O-N 3.32Å |
| 13 | L | 93.2 | Very high | 86.9 | Confident | 67 Ų | 67 | 99 Ų | 99 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 176.2 | -71.6 | 175.8 | 0 | 0 | 0 | 112.4 | W9 M10 I11 V15 I16 M17 | W9-L13 HydrophobicContact CD2-CD1 4.34Å; W9-L13 HydrophobicContact CE3-CD1 3.75Å; W9-L13 HydrophobicContact CH2-CD1 4.32Å; W9-L13 HydrophobicContact CZ3-CD1 3.74Å; W9-L13 WeakPolarHBondContact O-CG 3.29Å; W9-L13 PolarHBondContact O-N 3.45Å; M10-L13 PolarHBondContact O-N 3.27Å; I11-L13 PolarHBondContact O-N 3.14Å; L13-V15 VanDerWaalsContact C-N 3.35Å; L13-V15 PolarHBondContact O-N 3.44Å; L13-I16 PolarHBondContact O-N 3.43Å; L13-M17 VanDerWaalsContact O-CG 3.29Å; L13-M17 WeakPolarHBondContact O-CG 3.35Å; L13-M17 PolarHBondContact O-N 2.98Å |
| 14 | I | 93.7 | Very high | 86.6 | Confident | 104 Ų | 104 | 98 Ų | 98 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 177.2 | -67.1 | 163.6 | 0 | 0 | 0 | 110.5 | M10 I11 C12 I16 M17 V18 | M10-I14 WeakPolarHBondContact O-CD1 3.43Å; M10-I14 VanDerWaalsContact O-CG1 3.3Å; M10-I14 WeakPolarHBondContact O-CG1 3.4Å; M10-I14 PolarHBondContact O-N 3.41Å; M10-I14 VanDerWaalsContact O-N 3.14Å; I11-I14 PolarHBondContact O-N 3.31Å; C12-I14 VanDerWaalsContact C-N 3.35Å; C12-I14 PolarHBondContact O-N 3.48Å; I14-I16 VanDerWaalsContact C-N 3.35Å; I14-I16 PolarHBondContact O-N 3.27Å; I14-M17 PolarHBondContact O-N 3.27Å; I14-V18 HydrophobicContact CG2-CG2 4.47Å; I14-V18 WeakPolarHBondContact O-CG2 3.39Å; I14-V18 PolarHBondContact O-N 3.02Å |
| 15 | V | 93.1 | Very high | 85.6 | Confident | 77 Ų | 77 | 98.1 Ų | 98.1 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 178.5 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | I11 C12 L13 V18 N19 | I11-V15 WeakPolarHBondContact O-CG2 3.34Å; I11-V15 PolarHBondContact O-N 3.08Å; I11-V15 VanDerWaalsContact O-N 3.1Å; C12-V15 PolarHBondContact O-N 3.45Å; L13-V15 VanDerWaalsContact C-N 3.35Å; L13-V15 PolarHBondContact O-N 3.44Å; V15-V18 PolarHBondContact O-N 2.96Å; V15-N19 WeakPolarHBondContact CG1-ND2 3.37Å; V15-N19 PolarHBondContact O-N 2.96Å; V15-N19 PolarHBondContact O-ND2 3.47Å |
| 16 | I | 92.3 | Very high | 84.3 | Confident | 83 Ų | 83 | 96.5 Ų | 96.5 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 176.8 | -66.7 | 166 | 0 | 0 | 0 | 110.4 | C12 L13 I14 V18 N19 C20 | C12-I16 WeakPolarHBondContact O-CG1 3.4Å; C12-I16 PolarHBondContact O-N 3.32Å; L13-I16 PolarHBondContact O-N 3.43Å; I14-I16 VanDerWaalsContact C-N 3.35Å; I14-I16 PolarHBondContact O-N 3.27Å; I16-V18 PolarHBondContact O-N 3.29Å; I16-N19 PolarHBondContact O-N 3.28Å; I16-C20 WeakPolarHBondContact O-CB 3.47Å; I16-C20 PolarHBondContact O-N 3.4Å; I16-C20 PolarHBondContact O-SG 3.01Å |
| 17 | M | 88.3 | Confident | 82.8 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 178.7 | -69.1 | -65.5 | 98.4 | 0 | 0 | 112.2 | L13 I14 N19 C20 I21 | L13-M17 VanDerWaalsContact O-CG 3.29Å; L13-M17 WeakPolarHBondContact O-CG 3.35Å; L13-M17 PolarHBondContact O-N 2.98Å; I14-M17 PolarHBondContact O-N 3.27Å; M17-N19 PolarHBondContact O-N 2.8Å; M17-C20 PolarHBondContact O-N 3.01Å; M17-I21 VanDerWaalsContact O-CG1 3.3Å; M17-I21 WeakPolarHBondContact O-CG1 3.48Å; M17-I21 PolarHBondContact O-N 3.47Å |
| 18 | V | 90.2 | Very high | 81 | Confident | 82 Ų | 82 | 97.7 Ų | 97.7 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | I14 V15 I16 C20 I21 V22 | I14-V18 HydrophobicContact CG2-CG2 4.47Å; I14-V18 WeakPolarHBondContact O-CG2 3.39Å; I14-V18 PolarHBondContact O-N 3.02Å; V15-V18 PolarHBondContact O-N 2.96Å; I16-V18 PolarHBondContact O-N 3.29Å; V18-C20 VanDerWaalsContact C-N 3.35Å; V18-C20 PolarHBondContact O-N 3.09Å; V18-I21 PolarHBondContact O-N 2.87Å; V18-V22 WeakPolarHBondContact O-CG2 3.45Å; V18-V22 PolarHBondContact O-N 2.92Å; V18-V22 VanDerWaalsContact O-N 3.09Å |
| 19 | N | 84.3 | Confident | 79.2 | Confident | 96 Ų | 96 | 98.1 Ų | 98.1 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.3 | -78.8 | -71.2 | 0 | 0 | 0 | 112 | V15 I16 M17 V22 Q23 | V15-N19 WeakPolarHBondContact CG1-ND2 3.37Å; V15-N19 PolarHBondContact O-N 2.96Å; V15-N19 PolarHBondContact O-ND2 3.47Å; I16-N19 PolarHBondContact O-N 3.28Å; M17-N19 PolarHBondContact O-N 2.8Å; N19-V22 PolarHBondContact O-N 3.31Å; N19-Q23 WeakPolarHBondContact O-CB 3.34Å; N19-Q23 WeakPolarHBondContact O-CG 3.3Å; N19-Q23 PolarHBondContact O-N 3.5Å |
| 20 | C | 83.3 | Confident | 77.4 | Confident | 55 Ų | 55 | 94.2 Ų | 94.2 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.7 | -78.2 | 0 | 0 | 0 | 0 | 112 | I16 M17 V18 V22 Q23 I24 | I16-C20 WeakPolarHBondContact O-CB 3.47Å; I16-C20 PolarHBondContact O-N 3.4Å; I16-C20 PolarHBondContact O-SG 3.01Å; M17-C20 PolarHBondContact O-N 3.01Å; V18-C20 VanDerWaalsContact C-N 3.35Å; V18-C20 PolarHBondContact O-N 3.09Å; C20-V22 PolarHBondContact O-N 3.44Å; C20-Q23 PolarHBondContact O-N 3.36Å; C20-I24 WeakPolarHBondContact O-CB 3.25Å; C20-I24 WeakPolarHBondContact O-CD1 3.17Å; C20-I24 WeakPolarHBondContact O-CG1 3.14Å; C20-I24 PolarHBondContact O-N 3.23Å |
| 21 | I | 81.7 | Confident | 75.2 | Confident | 102 Ų | 102 | 89.9 Ų | 89.9 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 178.8 | -67 | 164.1 | 0 | 0 | 0 | 111 | M17 V18 I24 N25 | M17-I21 VanDerWaalsContact O-CG1 3.3Å; M17-I21 WeakPolarHBondContact O-CG1 3.48Å; M17-I21 PolarHBondContact O-N 3.47Å; V18-I21 PolarHBondContact O-N 2.87Å; I21-I24 PolarHBondContact O-N 3.14Å; I21-N25 PolarHBondContact O-N 3.06Å |
| 22 | V | 78.6 | Confident | 73 | Confident | 84 Ų | 84 | 89.1 Ų | 89.1 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | V18 N19 C20 N25 T26 | V18-V22 WeakPolarHBondContact O-CG2 3.45Å; V18-V22 PolarHBondContact O-N 2.92Å; V18-V22 VanDerWaalsContact O-N 3.09Å; N19-V22 PolarHBondContact O-N 3.31Å; C20-V22 PolarHBondContact O-N 3.44Å; V22-N25 PolarHBondContact O-N 2.71Å; V22-T26 PolarHBondContact O-N 2.71Å; V22-T26 VanDerWaalsContact O-N 3.14Å; V22-T26 PolarHBondContact O-OG1 2.93Å |
| 23 | Q | 70.9 | Confident | 70.9 | Confident | 141 Ų | 141 | 91 Ų | 91 | 66% | 0.659 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.3 | -36.5 | 176.2 | -74.2 | -156.8 | -18.7 | 0 | 0 | 112.6 | N19 C20 N25 T26 L27 | N19-Q23 WeakPolarHBondContact O-CB 3.34Å; N19-Q23 WeakPolarHBondContact O-CG 3.3Å; N19-Q23 PolarHBondContact O-N 3.5Å; C20-Q23 PolarHBondContact O-N 3.36Å; Q23-N25 PolarHBondContact O-N 3.42Å; Q23-T26 CarbonylContact O-C 3.59Å; Q23-T26 PolarHBondContact O-N 3.28Å; Q23-L27 WeakPolarHBondContact O-CB 3.43Å; Q23-L27 PolarHBondContact O-N 3.43Å |
| 24 | I | 70.4 | Confident | 68.7 | Low | 105 Ų | 105 | 93.7 Ų | 93.7 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.2 | -71.8 | 160.9 | 0 | 0 | 0 | 110.7 | C20 I21 T26 L27 S28 | C20-I24 WeakPolarHBondContact O-CB 3.25Å; C20-I24 WeakPolarHBondContact O-CD1 3.17Å; C20-I24 WeakPolarHBondContact O-CG1 3.14Å; C20-I24 PolarHBondContact O-N 3.23Å; I21-I24 PolarHBondContact O-N 3.14Å; I24-T26 VanDerWaalsContact C-N 3.29Å; I24-T26 PolarHBondContact O-N 2.83Å; I24-L27 PolarHBondContact O-N 3.49Å; I24-S28 VanDerWaalsContact O-CB 3.25Å; I24-S28 WeakPolarHBondContact O-CB 3.42Å; I24-S28 PolarHBondContact O-N 3.42Å |
| 25 | N | 62.7 | Low | 66.7 | Low | 105 Ų | 105 | 91.6 Ų | 91.6 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -37.3 | 176.1 | -69.8 | -18.7 | 0 | 0 | 0 | 111.7 | I21 V22 Q23 T29 | I21-N25 PolarHBondContact O-N 3.06Å; V22-N25 PolarHBondContact O-N 2.71Å; Q23-N25 PolarHBondContact O-N 3.42Å; N25-T29 PolarHBondContact O-N 3.3Å; N25-T29 PolarHBondContact O-OG1 2.78Å |
| 26 | T | 56.1 | Low | 64.8 | Low | 70 Ų | 70 | 94.5 Ų | 94.5 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73 | -41.2 | 178.4 | -47.8 | 0 | 0 | 0 | 0 | 111 | V22 Q23 I24 T29 I30 | V22-T26 PolarHBondContact O-N 2.71Å; V22-T26 VanDerWaalsContact O-N 3.14Å; V22-T26 PolarHBondContact O-OG1 2.93Å; Q23-T26 CarbonylContact O-C 3.59Å; Q23-T26 PolarHBondContact O-N 3.28Å; I24-T26 VanDerWaalsContact C-N 3.29Å; I24-T26 PolarHBondContact O-N 2.83Å; T26-T29 CarbonylContact O-C 3.51Å; T26-T29 WeakPolarHBondContact O-CA 3Å; T26-T29 VanDerWaalsContact O-CB 3.31Å; T26-T29 WeakPolarHBondContact O-CB 3.36Å; T26-T29 PolarHBondContact O-N 2.62Å; T26-I30 HydrophobicContact CG2-CD1 3.78Å; T26-I30 WeakPolarHBondContact O-CG1 3.31Å; T26-I30 PolarHBondContact O-N 2.94Å |
| 27 | L | 56.7 | Low | 62.9 | Low | 109 Ų | 109 | 93.3 Ų | 93.3 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.6 | -30.7 | 177.2 | -166.7 | 72.2 | 0 | 0 | 0 | 111.2 | Q23 I24 T29 I30 G31 | Q23-L27 WeakPolarHBondContact O-CB 3.43Å; Q23-L27 PolarHBondContact O-N 3.43Å; I24-L27 PolarHBondContact O-N 3.49Å; L27-T29 PolarHBondContact O-N 3.27Å; L27-I30 PolarHBondContact O-N 3.05Å; L27-G31 WeakPolarHBondContact O-CA 3.43Å; L27-G31 PolarHBondContact O-N 3.22Å |
| 28 | S | 50.4 | Low | 61.3 | Low | 91 Ų | 91 | 91.2 Ų | 91.2 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -21.7 | 168.9 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | I24 | I24-S28 VanDerWaalsContact O-CB 3.25Å; I24-S28 WeakPolarHBondContact O-CB 3.42Å; I24-S28 PolarHBondContact O-N 3.42Å |
| 29 | T | 49.9 | Very low | 60 | Low | 118 Ų | 118 | 90.3 Ų | 90.3 | 72% | 0.724 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -89.3 | -31.1 | 175.2 | -49 | 0 | 0 | 0 | 0 | 112.4 | N25 T26 L27 | N25-T29 PolarHBondContact O-N 3.3Å; N25-T29 PolarHBondContact O-OG1 2.78Å; T26-T29 CarbonylContact O-C 3.51Å; T26-T29 WeakPolarHBondContact O-CA 3Å; T26-T29 VanDerWaalsContact O-CB 3.31Å; T26-T29 WeakPolarHBondContact O-CB 3.36Å; T26-T29 PolarHBondContact O-N 2.62Å; L27-T29 PolarHBondContact O-N 3.27Å |
| 30 | I | 52.3 | Low | 59.1 | Low | 97 Ų | 97 | 93.7 Ų | 93.7 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -110.3 | -22.3 | -172.6 | -55.6 | 173.9 | 0 | 0 | 0 | 113.4 | T26 L27 | T26-I30 HydrophobicContact CG2-CD1 3.78Å; T26-I30 WeakPolarHBondContact O-CG1 3.31Å; T26-I30 PolarHBondContact O-N 2.94Å; L27-I30 PolarHBondContact O-N 3.05Å |
| 31 | G | 44.3 | Very low | 58.4 | Low | 27 Ų | 27 | 91.8 Ų | 91.8 | 28% | 0.278 | 50% | 0.502 | S | S | . | . | trans | -112.3 | 12.4 | -146 | 0 | 0 | 0 | 0 | 0 | 117.2 | L27 P33 | L27-G31 WeakPolarHBondContact O-CA 3.43Å; L27-G31 PolarHBondContact O-N 3.22Å; G31-P33 VanDerWaalsContact O-CD 3.23Å; G31-P33 WeakPolarHBondContact O-CD 3.35Å | ||
| 32 | N | 47.4 | Very low | 57.9 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 43% | 0.428 | 49% | 0.493 | S | S | . | . | trans | -85.4 | 112.6 | 140.4 | -66.4 | -73.9 | 0 | 0 | 0 | 107 | Q34 D35 K36 | N32-Q34 HydrophobicContact CB-CB 4.14Å; N32-Q34 PolarHBondContact O-N 2.77Å; N32-Q34 VanDerWaalsContact O-N 3.17Å; N32-D35 HydrophobicContact CB-CB 3.68Å; N32-D35 WeakPolarHBondContact CB-OD2 3.4Å; N32-D35 PolarHBondContact ND2-OD2 3.45Å; N32-D35 WeakPolarHBondContact O-CA 3.2Å; N32-D35 WeakPolarHBondContact O-CB 3.23Å; N32-D35 PolarHBondContact O-N 3.17Å; N32-K36 PolarHBondContact O-N 3.4Å | ||
| 33 | P | 48.6 | Very low | 57.6 | Low | 110 Ų | 110 | 89.6 Ų | 89.6 | 71% | 0.714 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -53.7 | -27.8 | 157.3 | 21.8 | -31 | 0 | 0 | 0 | 110.5 | G31 D35 K36 S37 | G31-P33 VanDerWaalsContact O-CD 3.23Å; G31-P33 WeakPolarHBondContact O-CD 3.35Å; P33-D35 VanDerWaalsContact C-N 3.35Å; P33-K36 PolarHBondContact O-N 2.85Å; P33-S37 PolarHBondContact O-N 3.41Å |
| 34 | Q | 47.3 | Very low | 57.8 | Low | 123 Ų | 123 | 89.8 Ų | 89.8 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.6 | -28.8 | 167 | -71.2 | -171.4 | 8.1 | 0 | 0 | 113.8 | N32 K36 S37 Q38 | N32-Q34 HydrophobicContact CB-CB 4.14Å; N32-Q34 PolarHBondContact O-N 2.77Å; N32-Q34 VanDerWaalsContact O-N 3.17Å; Q34-K36 VanDerWaalsContact C-N 3.33Å; Q34-K36 PolarHBondContact O-N 3.4Å; Q34-S37 PolarHBondContact O-N 3.29Å; Q34-S37 PolarHBondContact O-OG 2.75Å; Q34-Q38 WeakPolarHBondContact O-CA 3.27Å; Q34-Q38 WeakPolarHBondContact O-CB 3.28Å; Q34-Q38 WeakPolarHBondContact O-CG 3.02Å; Q34-Q38 PolarHBondContact O-N 3.04Å |
| 35 | D | 52.2 | Low | 58.1 | Low | 60 Ų | 60 | 84.8 Ų | 84.8 | 32% | 0.321 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.8 | -27.3 | 175.5 | -84.8 | -41.7 | 0 | 0 | 0 | 111.5 | N32 P33 S39 | N32-D35 HydrophobicContact CB-CB 3.68Å; N32-D35 WeakPolarHBondContact CB-OD2 3.4Å; N32-D35 PolarHBondContact ND2-OD2 3.45Å; N32-D35 WeakPolarHBondContact O-CA 3.2Å; N32-D35 WeakPolarHBondContact O-CB 3.23Å; N32-D35 PolarHBondContact O-N 3.17Å; P33-D35 VanDerWaalsContact C-N 3.35Å; D35-S39 WeakPolarHBondContact O-CA 3.4Å; D35-S39 WeakPolarHBondContact O-CB 3.45Å; D35-S39 PolarHBondContact O-N 2.71Å; D35-S39 PolarHBondContact O-OG 3.17Å |
| 36 | K | 53 | Low | 58.7 | Low | 138 Ų | 138 | 83 Ų | 83 | 60% | 0.6 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -74.6 | -38.1 | 174.4 | -76.9 | -168.6 | -177.6 | -179.6 | 0 | 112.6 | N32 P33 Q34 S39 K40 | N32-K36 PolarHBondContact O-N 3.4Å; P33-K36 PolarHBondContact O-N 2.85Å; Q34-K36 VanDerWaalsContact C-N 3.33Å; Q34-K36 PolarHBondContact O-N 3.4Å; K36-S39 WeakPolarHBondContact CA-OG 3.48Å; K36-S39 PolarHBondContact O-OG 2.74Å; K36-S39 VanDerWaalsContact O-OG 3.04Å; K36-K40 PolarHBondContact O-N 3.46Å |
| 37 | S | 53.3 | Low | 59.7 | Low | 58 Ų | 58 | 85.2 Ų | 85.2 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -72.6 | -42.6 | 173 | 53.5 | 0 | 0 | 0 | 0 | 111 | P33 Q34 K40 C41 | P33-S37 PolarHBondContact O-N 3.41Å; Q34-S37 PolarHBondContact O-N 3.29Å; Q34-S37 PolarHBondContact O-OG 2.75Å; S37-K40 PolarHBondContact O-N 3.49Å; S37-C41 WeakPolarHBondContact O-CB 3.43Å; S37-C41 PolarHBondContact O-N 3.37Å |
| 38 | Q | 54.5 | Low | 60.4 | Low | 65 Ų | 65 | 81.2 Ų | 81.2 | 30% | 0.304 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.2 | -74.2 | 179.3 | 19.1 | 0 | 0 | 111 | Q34 K40 C41 H42 | Q34-Q38 WeakPolarHBondContact O-CA 3.27Å; Q34-Q38 WeakPolarHBondContact O-CB 3.28Å; Q34-Q38 WeakPolarHBondContact O-CG 3.02Å; Q34-Q38 PolarHBondContact O-N 3.04Å; Q38-K40 PolarHBondContact O-N 3.47Å; Q38-C41 CarbonylContact O-C 3.56Å; Q38-C41 WeakPolarHBondContact O-CB 3.21Å; Q38-C41 PolarHBondContact O-N 2.66Å; Q38-H42 WeakPolarHBondContact O-CA 3.36Å; Q38-H42 WeakPolarHBondContact O-CB 3.31Å; Q38-H42 PolarHBondContact O-CD2 3.22Å; Q38-H42 PolarHBondContact O-N 3.39Å |
| 39 | S | 62.7 | Low | 61.4 | Low | 63 Ų | 63 | 80.2 Ų | 80.2 | 44% | 0.441 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.2 | 55 | 0 | 0 | 0 | 0 | 112.7 | D35 K36 H42 A43 | D35-S39 WeakPolarHBondContact O-CA 3.4Å; D35-S39 WeakPolarHBondContact O-CB 3.45Å; D35-S39 PolarHBondContact O-N 2.71Å; D35-S39 PolarHBondContact O-OG 3.17Å; K36-S39 WeakPolarHBondContact CA-OG 3.48Å; K36-S39 PolarHBondContact O-OG 2.74Å; K36-S39 VanDerWaalsContact O-OG 3.04Å; S39-H42 PolarHBondContact O-N 2.65Å; S39-A43 VanDerWaalsContact O-CB 3.28Å; S39-A43 WeakPolarHBondContact O-CB 3.43Å; S39-A43 PolarHBondContact O-N 3.44Å |
| 40 | K | 66 | Low | 62.3 | Low | 167 Ų | 167 | 84.6 Ų | 84.6 | 73% | 0.726 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 173.2 | -76.6 | -177.3 | 179.7 | -178.5 | 0 | 111.9 | K36 S37 Q38 F44 | K36-K40 PolarHBondContact O-N 3.46Å; S37-K40 PolarHBondContact O-N 3.49Å; Q38-K40 PolarHBondContact O-N 3.47Å; K40-F44 PolarHBondContact O-N 3.41Å |
| 41 | C | 67.9 | Low | 62.7 | Low | 14 Ų | 14 | 83.5 Ų | 83.5 | 10% | 0.095 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 173.2 | 161.1 | 0 | 0 | 0 | 0 | 111.6 | S37 Q38 A43 F44 C45 C68 | S37-C41 WeakPolarHBondContact O-CB 3.43Å; S37-C41 PolarHBondContact O-N 3.37Å; Q38-C41 CarbonylContact O-C 3.56Å; Q38-C41 WeakPolarHBondContact O-CB 3.21Å; Q38-C41 PolarHBondContact O-N 2.66Å; C41-A43 VanDerWaalsContact C-N 3.33Å; C41-A43 PolarHBondContact O-N 2.93Å; C41-F44 CarbonylContact O-C 3.56Å; C41-F44 WeakPolarHBondContact O-CA 2.96Å; C41-F44 WeakPolarHBondContact O-CB 3.31Å; C41-F44 PolarHBondContact O-N 2.88Å; C41-C45 WeakPolarHBondContact O-CB 3.45Å; C41-C45 PolarHBondContact O-N 2.99Å; C41-C45 PolarHBondContact O-SG 2.83Å; C41-C68 HydrophobicContact CB-CB 3.5Å; C41-C68 WeakPolarHBondContact CB-SG 3.07Å; C41-C68 WeakPolarHBondContact SG-CB 3.38Å; C41-C68 CovalentContact SG-SG 1.97Å; C41-C68 PolarHBondContact SG-SG 3.03Å |
| 42 | H | 71.1 | Confident | 63.5 | Low | 73 Ų | 73 | 86.5 Ų | 86.5 | 34% | 0.338 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | -178.7 | -73.7 | -160.6 | 0 | 0 | 0 | 108.8 | Q38 S39 F44 C45 D46 M65 | Q38-H42 WeakPolarHBondContact O-CA 3.36Å; Q38-H42 WeakPolarHBondContact O-CB 3.31Å; Q38-H42 PolarHBondContact O-CD2 3.22Å; Q38-H42 PolarHBondContact O-N 3.39Å; S39-H42 PolarHBondContact O-N 2.65Å; H42-F44 VanDerWaalsContact C-N 3.3Å; H42-F44 PolarHBondContact O-N 3.45Å; H42-C45 CarbonylContact O-C 3.53Å; H42-C45 PolarHBondContact O-N 3.15Å; H42-C45 VanDerWaalsContact O-N 3.12Å; H42-D46 VanDerWaalsContact O-CB 3.27Å; H42-D46 WeakPolarHBondContact O-CB 3.43Å; H42-D46 VanDerWaalsContact O-CG 3.26Å; H42-D46 PolarHBondContact O-N 2.7Å; H42-D46 VanDerWaalsContact O-OD2 3.1Å; H42-M65 HydrophobicContact CB-CE 3.73Å; H42-M65 HydrophobicContact CB-SD 4.49Å; H42-M65 WeakPolarHBondContact CD2-CE 3.48Å; H42-M65 PolarHBondContact CD2-SD 3.26Å; H42-M65 VanDerWaalsContact CG-CE 3.41Å |
| 43 | A | 72.2 | Confident | 64.3 | Low | 67 Ų | 67 | 88.8 Ų | 88.8 | 55% | 0.554 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.1 | -39.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S39 C41 | S39-A43 VanDerWaalsContact O-CB 3.28Å; S39-A43 WeakPolarHBondContact O-CB 3.43Å; S39-A43 PolarHBondContact O-N 3.44Å; C41-A43 VanDerWaalsContact C-N 3.33Å; C41-A43 PolarHBondContact O-N 2.93Å |
| 44 | F | 75.8 | Confident | 65.3 | Low | 145 Ų | 145 | 87 Ų | 87 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.8 | -41.7 | 175.3 | -178.4 | -100.1 | 0 | 0 | 0 | 112.4 | K40 C41 H42 H47 | K40-F44 PolarHBondContact O-N 3.41Å; C41-F44 CarbonylContact O-C 3.56Å; C41-F44 WeakPolarHBondContact O-CA 2.96Å; C41-F44 WeakPolarHBondContact O-CB 3.31Å; C41-F44 PolarHBondContact O-N 2.88Å; H42-F44 VanDerWaalsContact C-N 3.3Å; H42-F44 PolarHBondContact O-N 3.45Å; F44-H47 PolarHBondContact O-ND1 3.18Å |
| 45 | C | 76 | Confident | 66.5 | Low | 0 Ų | 0 | 89.2 Ų | 89.2 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -73.1 | -33.4 | 179.1 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | C41 H42 H47 L48 Y61 C64 M65 | C41-C45 WeakPolarHBondContact O-CB 3.45Å; C41-C45 PolarHBondContact O-N 2.99Å; C41-C45 PolarHBondContact O-SG 2.83Å; H42-C45 CarbonylContact O-C 3.53Å; H42-C45 PolarHBondContact O-N 3.15Å; H42-C45 VanDerWaalsContact O-N 3.12Å; C45-H47 PolarHBondContact O-N 2.94Å; C45-L48 WeakPolarHBondContact O-CA 3.44Å; C45-L48 WeakPolarHBondContact O-CB 3.09Å; C45-L48 WeakPolarHBondContact O-CG 3.45Å; C45-L48 PolarHBondContact O-N 3.23Å; C45-Y61 HydrophobicContact CB-CD2 3.8Å; C45-Y61 HydrophobicContact CB-CE2 3.95Å; C45-Y61 VanDerWaalsContact O-CD2 3.31Å; C45-Y61 WeakPolarHBondContact O-CD2 3.38Å; C45-C64 WeakPolarHBondContact CA-SG 3.31Å; C45-C64 HydrophobicContact CB-CB 3.76Å; C45-C64 WeakPolarHBondContact CB-SG 3.13Å; C45-C64 WeakPolarHBondContact SG-CB 3.13Å; C45-C64 CovalentContact SG-SG 2.03Å; C45-C64 PolarHBondContact SG-SG 3.21Å; C45-M65 HydrophobicContact CB-CE 4.29Å; C45-M65 HydrophobicContact CB-CG 4.29Å; C45-M65 HydrophobicContact CB-SD 4.04Å |
| 46 | D | 76 | Confident | 67.6 | Low | 69 Ų | 69 | 91.6 Ų | 91.6 | 37% | 0.369 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62 | -26.3 | -177.6 | -86.6 | -40.5 | 0 | 0 | 0 | 112.7 | H42 L48 L49 | H42-D46 VanDerWaalsContact O-CB 3.27Å; H42-D46 WeakPolarHBondContact O-CB 3.43Å; H42-D46 VanDerWaalsContact O-CG 3.26Å; H42-D46 PolarHBondContact O-N 2.7Å; H42-D46 VanDerWaalsContact O-OD2 3.1Å; D46-L48 PolarHBondContact O-N 2.03Å; D46-L48 VanDerWaalsContact O-N 3.15Å; D46-L49 WeakPolarHBondContact O-CB 3.47Å; D46-L49 PolarHBondContact O-N 3.12Å |
| 47 | H | 75.6 | Confident | 68.5 | Low | 115 Ų | 115 | 88.5 Ų | 88.5 | 53% | 0.532 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.9 | 170.5 | 107.6 | -88.7 | 0 | 0 | 0 | 111.9 | F44 C45 L49 Y50 | F44-H47 PolarHBondContact O-ND1 3.18Å; C45-H47 PolarHBondContact O-N 2.94Å; H47-L49 VanDerWaalsContact C-N 3.27Å; H47-L49 PolarHBondContact O-N 2.77Å; H47-Y50 PolarHBondContact O-N 3.3Å |
| 48 | L | 72.3 | Confident | 69.5 | Low | 25 Ų | 25 | 93.6 Ų | 93.6 | 13% | 0.131 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -72 | -20.8 | 175.3 | -59.1 | 165.2 | 0 | 0 | 0 | 111.6 | C45 D46 Y50 Y57 K60 C64 | C45-L48 WeakPolarHBondContact O-CA 3.44Å; C45-L48 WeakPolarHBondContact O-CB 3.09Å; C45-L48 WeakPolarHBondContact O-CG 3.45Å; C45-L48 PolarHBondContact O-N 3.23Å; D46-L48 PolarHBondContact O-N 2.03Å; D46-L48 VanDerWaalsContact O-N 3.15Å; L48-Y50 VanDerWaalsContact C-N 3.34Å; L48-Y57 HydrophobicContact CD2-CD1 4.49Å; L48-Y57 VanDerWaalsContact O-CB 3.25Å; L48-Y57 WeakPolarHBondContact O-CB 3.45Å; L48-Y57 WeakPolarHBondContact O-CD1 2.98Å; L48-K60 HydrophobicContact CD1-CB 4.22Å; L48-K60 HydrophobicContact CD2-CB 4.38Å; L48-C64 HydrophobicContact CD1-CB 3.72Å |
| 49 | L | 71.1 | Confident | 70.8 | Confident | 71 Ų | 71 | 98.8 Ų | 98.8 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -78.1 | -15.4 | 175.8 | -102.2 | 89.3 | 0 | 0 | 0 | 114.1 | D46 H47 N51 Y61 | D46-L49 WeakPolarHBondContact O-CB 3.47Å; D46-L49 PolarHBondContact O-N 3.12Å; H47-L49 VanDerWaalsContact C-N 3.27Å; H47-L49 PolarHBondContact O-N 2.77Å; L49-N51 PolarHBondContact O-N 3.06Å; L49-Y61 HydrophobicContact CD1-CD1 3.44Å; L49-Y61 VanDerWaalsContact CD1-CD1 3.44Å; L49-Y61 HydrophobicContact CD1-CD2 3.03Å; L49-Y61 HydrophobicContact CD1-CE1 3.61Å; L49-Y61 HydrophobicContact CD1-CE2 3.19Å; L49-Y61 HydrophobicContact CD1-CG 3.1Å; L49-Y61 VanDerWaalsContact CD1-CZ 3.45Å; L49-Y61 HydrophobicContact CG-CG 4.49Å |
| 50 | Y | 68.3 | Low | 71.6 | Confident | 209 Ų | 209 | 99.7 Ų | 99.7 | 82% | 0.82 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -57.5 | -20 | -171.8 | -111.9 | -89.3 | 0 | 0 | 0 | 113.9 | H47 L48 P52 | H47-Y50 PolarHBondContact O-N 3.3Å; L48-Y50 VanDerWaalsContact C-N 3.34Å; Y50-P52 VanDerWaalsContact O-CD 3.31Å; Y50-P52 WeakPolarHBondContact O-CD 3.48Å |
| 51 | N | 61.6 | Low | 72.3 | Confident | 75 Ų | 75 | 94.4 Ų | 94.4 | 40% | 0.401 | 45% | 0.448 | S | S | . | . | trans | -113.1 | 86.9 | 173.9 | -146.3 | 21 | 0 | 0 | 0 | 111.5 | L49 V53 Y57 | L49-N51 PolarHBondContact O-N 3.06Å; N51-V53 PolarHBondContact O-N 1.97Å; N51-Y57 HydrophobicContact CB-CD2 3.92Å; N51-Y57 HydrophobicContact CB-CE2 4.07Å | ||
| 52 | P | 60.3 | Low | 72.8 | Confident | 90 Ų | 90 | 100.5 Ų | 100.5 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -15.7 | -174.9 | 28.4 | -35.8 | 0 | 0 | 0 | 113.7 | Y50 D54 | Y50-P52 VanDerWaalsContact O-CD 3.31Å; Y50-P52 WeakPolarHBondContact O-CD 3.48Å; P52-D54 VanDerWaalsContact C-N 3.28Å; P52-D54 PolarHBondContact O-N 3.05Å |
| 53 | V | 64.5 | Low | 73.3 | Confident | 128 Ų | 128 | 105.3 Ų | 105.3 | 78% | 0.776 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -29.6 | -175.4 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | N51 | N51-V53 PolarHBondContact O-N 1.97Š|
| 54 | D | 70.4 | Confident | 73.7 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 39% | 0.39 | 47% | 0.469 | S | S | . | . | trans | -99.3 | 110.4 | -176 | -114.2 | -57.6 | 0 | 0 | 0 | 111 | P52 Q56 Y57 | P52-D54 VanDerWaalsContact C-N 3.28Å; P52-D54 PolarHBondContact O-N 3.05Å; D54-Q56 PolarHBondContact O-N 2.93Å; D54-Y57 HydrophobicContact CB-CD2 3.35Å; D54-Y57 HydrophobicContact CB-CE2 3.83Å; D54-Y57 HydrophobicContact CB-CG 4.43Å; D54-Y57 WeakPolarHBondContact O-CB 3.41Å; D54-Y57 PolarHBondContact O-N 3.3Å | ||
| 55 | K | 71.2 | Confident | 73.8 | Confident | 169 Ų | 169 | 98.2 Ų | 98.2 | 74% | 0.735 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -50.5 | -32.2 | 171.2 | -74.4 | -179.6 | 179.7 | 175.6 | 0 | 111.4 | Y57 R58 Y59 | K55-Y57 PolarHBondContact O-N 3.11Å; K55-R58 PolarHBondContact O-N 3.19Å; K55-Y59 VanDerWaalsContact O-CD2 3.29Å; K55-Y59 WeakPolarHBondContact O-CD2 2.88Å; K55-Y59 PolarHBondContact O-N 3.03Å; K55-Y59 VanDerWaalsContact O-N 3.11Å |
| 56 | Q | 75.3 | Confident | 73.9 | Confident | 109 Ų | 109 | 107.3 Ų | 107.3 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.6 | -37.5 | 177.3 | -168.9 | -176.2 | -2.2 | 0 | 0 | 112.5 | D54 Y59 K60 | D54-Q56 PolarHBondContact O-N 2.93Å; Q56-Y59 PolarHBondContact O-N 3.35Å; Q56-K60 WeakPolarHBondContact O-CG 3.46Å; Q56-K60 PolarHBondContact O-N 3.4Å |
| 57 | Y | 71.8 | Confident | 73.8 | Confident | 74 Ų | 74 | 113.6 Ų | 113.6 | 29% | 0.29 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 178.3 | -80.3 | -68.4 | 0 | 0 | 0 | 112.5 | L48 N51 D54 K55 Y59 K60 Y61 | L48-Y57 HydrophobicContact CD2-CD1 4.49Å; L48-Y57 VanDerWaalsContact O-CB 3.25Å; L48-Y57 WeakPolarHBondContact O-CB 3.45Å; L48-Y57 WeakPolarHBondContact O-CD1 2.98Å; N51-Y57 HydrophobicContact CB-CD2 3.92Å; N51-Y57 HydrophobicContact CB-CE2 4.07Å; D54-Y57 HydrophobicContact CB-CD2 3.35Å; D54-Y57 HydrophobicContact CB-CE2 3.83Å; D54-Y57 HydrophobicContact CB-CG 4.43Å; D54-Y57 WeakPolarHBondContact O-CB 3.41Å; D54-Y57 PolarHBondContact O-N 3.3Å; K55-Y57 PolarHBondContact O-N 3.11Å; Y57-Y59 VanDerWaalsContact C-N 3.27Å; Y57-Y59 PolarHBondContact O-N 2.93Å; Y57-K60 HydrophobicContact CD1-CD 4.27Å; Y57-K60 HydrophobicContact CE1-CD 4.49Å; Y57-K60 PolarHBondContact O-N 2.92Å; Y57-Y61 WeakPolarHBondContact O-CB 3.49Å; Y57-Y61 PolarHBondContact O-N 2.76Å |
| 58 | R | 74.9 | Confident | 73.4 | Confident | 165 Ų | 165 | 113 Ų | 113 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -37.9 | 171.2 | -74.3 | -166.4 | -175.2 | -131.9 | 4.7 | 112.1 | K55 K62 | K55-R58 PolarHBondContact O-N 3.19Å; R58-K62 WeakPolarHBondContact O-CB 3.29Å; R58-K62 WeakPolarHBondContact O-CG 3.46Å; R58-K62 PolarHBondContact O-N 3.32Å |
| 59 | Y | 81 | Confident | 73.5 | Confident | 173 Ų | 173 | 117.4 Ų | 117.4 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.4 | -44.1 | 173.7 | -83.3 | -79.4 | 0 | 0 | 0 | 112.1 | K55 Q56 Y57 Y61 K62 R63 | K55-Y59 VanDerWaalsContact O-CD2 3.29Å; K55-Y59 WeakPolarHBondContact O-CD2 2.88Å; K55-Y59 PolarHBondContact O-N 3.03Å; K55-Y59 VanDerWaalsContact O-N 3.11Å; Q56-Y59 PolarHBondContact O-N 3.35Å; Y57-Y59 VanDerWaalsContact C-N 3.27Å; Y57-Y59 PolarHBondContact O-N 2.93Å; Y59-Y61 VanDerWaalsContact C-N 3.34Å; Y59-K62 PolarHBondContact O-N 3.18Å; Y59-R63 VanDerWaalsContact O-CB 3.31Å; Y59-R63 WeakPolarHBondContact O-CB 3.46Å; Y59-R63 PolarHBondContact O-N 3.04Å |
| 60 | K | 80 | Confident | 73.6 | Confident | 83 Ų | 83 | 119.8 Ų | 119.8 | 36% | 0.361 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.6 | -74.4 | 174.6 | 179.3 | 175 | 0 | 111.2 | L48 Q56 Y57 R63 C64 | L48-K60 HydrophobicContact CD1-CB 4.22Å; L48-K60 HydrophobicContact CD2-CB 4.38Å; Q56-K60 WeakPolarHBondContact O-CG 3.46Å; Q56-K60 PolarHBondContact O-N 3.4Å; Y57-K60 HydrophobicContact CD1-CD 4.27Å; Y57-K60 HydrophobicContact CE1-CD 4.49Å; Y57-K60 PolarHBondContact O-N 2.92Å; K60-R63 PolarHBondContact O-N 3.03Å; K60-C64 VanDerWaalsContact O-CB 3.32Å; K60-C64 WeakPolarHBondContact O-CB 3.35Å; K60-C64 PolarHBondContact O-N 3.24Å |
| 61 | Y | 80.2 | Confident | 73.9 | Confident | 55 Ų | 55 | 114.9 Ų | 114.9 | 22% | 0.216 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -59.4 | -53.2 | 174.6 | 172.8 | -104.7 | 0 | 0 | 0 | 112 | C45 L49 Y57 Y59 R63 C64 M65 | C45-Y61 HydrophobicContact CB-CD2 3.8Å; C45-Y61 HydrophobicContact CB-CE2 3.95Å; C45-Y61 VanDerWaalsContact O-CD2 3.31Å; C45-Y61 WeakPolarHBondContact O-CD2 3.38Å; L49-Y61 HydrophobicContact CD1-CD1 3.44Å; L49-Y61 VanDerWaalsContact CD1-CD1 3.44Å; L49-Y61 HydrophobicContact CD1-CD2 3.03Å; L49-Y61 HydrophobicContact CD1-CE1 3.61Å; L49-Y61 HydrophobicContact CD1-CE2 3.19Å; L49-Y61 HydrophobicContact CD1-CG 3.1Å; L49-Y61 VanDerWaalsContact CD1-CZ 3.45Å; L49-Y61 HydrophobicContact CG-CG 4.49Å; Y57-Y61 WeakPolarHBondContact O-CB 3.49Å; Y57-Y61 PolarHBondContact O-N 2.76Å; Y59-Y61 VanDerWaalsContact C-N 3.34Å; Y61-R63 PolarHBondContact O-N 2.8Å; Y61-C64 WeakPolarHBondContact O-CA 3.36Å; Y61-C64 WeakPolarHBondContact O-CB 3.32Å; Y61-C64 PolarHBondContact O-N 3.29Å; Y61-M65 HydrophobicContact CD1-CG 4.25Å; Y61-M65 HydrophobicContact CD2-CE 4.43Å; Y61-M65 HydrophobicContact CD2-CG 4.21Å; Y61-M65 HydrophobicContact CE1-CE 4.22Å; Y61-M65 HydrophobicContact CE1-CG 3.93Å; Y61-M65 HydrophobicContact CE2-CE 3.37Å; Y61-M65 HydrophobicContact CE2-CG 3.93Å; Y61-M65 HydrophobicContact CE2-SD 4.36Å; Y61-M65 HydrophobicContact CG-CG 4.42Å; Y61-M65 WeakPolarHBondContact O-CG 3.02Å; Y61-M65 PolarHBondContact O-N 2.98Å; Y61-M65 WeakPolarHBondContact OH-CE 3.31Å |
| 62 | K | 79.7 | Confident | 74.6 | Confident | 143 Ų | 143 | 117.2 Ų | 117.2 | 62% | 0.622 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.7 | -38.1 | 177.2 | -80.1 | -172.7 | 178.5 | -173.2 | 0 | 111.7 | R58 Y59 K66 | R58-K62 WeakPolarHBondContact O-CB 3.29Å; R58-K62 WeakPolarHBondContact O-CG 3.46Å; R58-K62 PolarHBondContact O-N 3.32Å; Y59-K62 PolarHBondContact O-N 3.18Å; K62-K66 WeakPolarHBondContact O-CB 3.49Å; K62-K66 WeakPolarHBondContact O-CG 3.25Å; K62-K66 PolarHBondContact O-N 2.82Å |
| 63 | R | 82.2 | Confident | 75.5 | Confident | 173 Ų | 173 | 118.9 Ų | 118.9 | 65% | 0.653 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.8 | -36.7 | 176.3 | -179.2 | 178.1 | -93.8 | 177.1 | -5.6 | 112.1 | Y59 K60 Y61 | Y59-R63 VanDerWaalsContact O-CB 3.31Å; Y59-R63 WeakPolarHBondContact O-CB 3.46Å; Y59-R63 PolarHBondContact O-N 3.04Å; K60-R63 PolarHBondContact O-N 3.03Å; Y61-R63 PolarHBondContact O-N 2.8Å |
| 64 | C | 79.3 | Confident | 76.3 | Confident | 22 Ų | 22 | 118.3 Ų | 118.3 | 15% | 0.149 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -63.6 | -50.6 | 174.1 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | C45 L48 K60 Y61 K66 R67 C68 | C45-C64 WeakPolarHBondContact CA-SG 3.31Å; C45-C64 HydrophobicContact CB-CB 3.76Å; C45-C64 WeakPolarHBondContact CB-SG 3.13Å; C45-C64 WeakPolarHBondContact SG-CB 3.13Å; C45-C64 CovalentContact SG-SG 2.03Å; C45-C64 PolarHBondContact SG-SG 3.21Å; L48-C64 HydrophobicContact CD1-CB 3.72Å; K60-C64 VanDerWaalsContact O-CB 3.32Å; K60-C64 WeakPolarHBondContact O-CB 3.35Å; K60-C64 PolarHBondContact O-N 3.24Å; Y61-C64 WeakPolarHBondContact O-CA 3.36Å; Y61-C64 WeakPolarHBondContact O-CB 3.32Å; Y61-C64 PolarHBondContact O-N 3.29Å; C64-K66 VanDerWaalsContact C-N 3.28Å; C64-K66 PolarHBondContact O-N 3.44Å; C64-R67 PolarHBondContact O-N 2.9Å; C64-C68 PolarHBondContact O-SG 3.33Å |
| 65 | M | 78.1 | Confident | 76.7 | Confident | 42 Ų | 42 | 121.6 Ų | 121.6 | 21% | 0.207 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -58.6 | -35.9 | 176.4 | -72.6 | -59.4 | -157 | 0 | 0 | 113.4 | H42 C45 Y61 R67 | H42-M65 HydrophobicContact CB-CE 3.73Å; H42-M65 HydrophobicContact CB-SD 4.49Å; H42-M65 WeakPolarHBondContact CD2-CE 3.48Å; H42-M65 PolarHBondContact CD2-SD 3.26Å; H42-M65 VanDerWaalsContact CG-CE 3.41Å; C45-M65 HydrophobicContact CB-CE 4.29Å; C45-M65 HydrophobicContact CB-CG 4.29Å; C45-M65 HydrophobicContact CB-SD 4.04Å; Y61-M65 HydrophobicContact CD1-CG 4.25Å; Y61-M65 HydrophobicContact CD2-CE 4.43Å; Y61-M65 HydrophobicContact CD2-CG 4.21Å; Y61-M65 HydrophobicContact CE1-CE 4.22Å; Y61-M65 HydrophobicContact CE1-CG 3.93Å; Y61-M65 HydrophobicContact CE2-CE 3.37Å; Y61-M65 HydrophobicContact CE2-CG 3.93Å; Y61-M65 HydrophobicContact CE2-SD 4.36Å; Y61-M65 HydrophobicContact CG-CG 4.42Å; Y61-M65 WeakPolarHBondContact O-CG 3.02Å; Y61-M65 PolarHBondContact O-N 2.98Å; Y61-M65 WeakPolarHBondContact OH-CE 3.31Å; M65-R67 PolarHBondContact O-N 2.89Å |
| 66 | K | 78.3 | Confident | 77.1 | Confident | 190 Ų | 190 | 117.9 Ų | 117.9 | 83% | 0.826 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.3 | 175.8 | -81.7 | -169.9 | -178.3 | -166.1 | 0 | 114.8 | K62 C64 | K62-K66 WeakPolarHBondContact O-CB 3.49Å; K62-K66 WeakPolarHBondContact O-CG 3.25Å; K62-K66 PolarHBondContact O-N 2.82Å; C64-K66 VanDerWaalsContact C-N 3.28Å; C64-K66 PolarHBondContact O-N 3.44Å |
| 67 | R | 73 | Confident | 77.3 | Confident | 201 Ų | 201 | 118.7 Ų | 118.7 | 76% | 0.758 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.9 | -177.2 | -77.7 | -175.4 | -167.1 | -162.9 | 0.4 | 114.2 | C64 M65 | C64-R67 PolarHBondContact O-N 2.9Å; M65-R67 PolarHBondContact O-N 2.89Å |
| 68 | C | 69.1 | Low | 77.8 | Confident | 103 Ų | 103 | 122.7 Ų | 122.7 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | trans | -96 | 0 | -165.6 | -71.7 | 0 | 0 | 0 | 0 | 117.5 | C41 C64 | C41-C68 HydrophobicContact CB-CB 3.5Å; C41-C68 WeakPolarHBondContact CB-SG 3.07Å; C41-C68 WeakPolarHBondContact SG-CB 3.38Å; C41-C68 CovalentContact SG-SG 1.97Å; C41-C68 PolarHBondContact SG-SG 3.03Å; C64-C68 PolarHBondContact O-SG 3.33Å |
Retrieved 68 of 68 residues in 267.5 ms
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