| 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 | C | 56.3 | Low | 71.2 | Confident | 88 Ų | 88 | 125.8 Ų | 125.8 | 60% | 0.595 | 62% | 0.623 | S | S | * | * | 0 | 138.1 | 0 | -87.3 | 0 | 0 | 0 | 0 | 107.5 | C35 | C1-C35 WeakPolarHBondContact CB-SG 3.39Å; C1-C35 WeakPolarHBondContact SG-CB 3.42Å; C1-C35 CovalentContact SG-SG 2.05Å; C1-C35 PolarHBondContact SG-SG 3.22Å | |||
| 2 | F | 55.8 | Low | 72.6 | Confident | 190 Ų | 190 | 122.2 Ų | 122.2 | 83% | 0.833 | 61% | 0.608 | S | S | * | * | trans | -114.5 | 140 | 176.6 | -65.5 | -80.9 | 0 | 0 | 0 | 108.4 | ||||
| 3 | Y | 66.8 | Low | 73.2 | Confident | 103 Ų | 103 | 119 Ų | 119 | 40% | 0.404 | 59% | 0.594 | S | S | . | * | trans | -116.8 | 124.3 | 173.5 | 170.1 | -94.8 | 0 | 0 | 0 | 108.1 | P5 I21 | Y3-P5 HydrophobicContact CE1-CB 3.77Å; Y3-P5 WeakPolarHBondContact O-CD 3.44Å; Y3-I21 HydrophobicContact CD1-CB 4.28Å; Y3-I21 HydrophobicContact CD1-CD1 3.82Å; Y3-I21 HydrophobicContact CD1-CG2 3.66Å; Y3-I21 HydrophobicContact CD2-CD1 4.43Å; Y3-I21 HydrophobicContact CD2-CG2 4.25Å; Y3-I21 HydrophobicContact CE1-CB 4.34Å; Y3-I21 HydrophobicContact CE1-CD1 3.08Å; Y3-I21 HydrophobicContact CE1-CG1 4.26Å; Y3-I21 HydrophobicContact CE1-CG2 4.11Å; Y3-I21 HydrophobicContact CE2-CD1 3.81Å; Y3-I21 HydrophobicContact CG-CD1 4.44Å; Y3-I21 HydrophobicContact CG-CG2 3.75Å; Y3-I21 WeakPolarHBondContact OH-CD1 3.38Å | ||
| 4 | T | 70.3 | Confident | 73.7 | Confident | 112 Ų | 112 | 114.9 Ų | 114.9 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | trans | -96.5 | 110.9 | 174.4 | -53.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 5 | P | 67.8 | Low | 74.2 | Confident | 45 Ų | 45 | 113.5 Ų | 113.5 | 29% | 0.292 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 151.1 | 176.8 | 24.4 | -31.4 | 0 | 0 | 0 | 111.2 | Y3 L14 | Y3-P5 HydrophobicContact CE1-CB 3.77Å; Y3-P5 WeakPolarHBondContact O-CD 3.44Å; P5-L14 HydrophobicContact CB-CD1 3.81Å; P5-L14 HydrophobicContact CG-CD1 3.87Å |
| 6 | K | 74.7 | Confident | 74.9 | Confident | 161 Ų | 161 | 111.6 Ų | 111.6 | 70% | 0.7 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -61 | 144.7 | 170.3 | -67.3 | -174.8 | 179.6 | 178.4 | 0 | 109.1 | H8 L14 | K6-H8 PolarHBondContact O-CD2 2.92Å; K6-H8 PolarHBondContact O-N 3.44Å; K6-L14 WeakPolarHBondContact O-CD1 3.46Å |
| 7 | C | 67.8 | Low | 75 | Confident | 133 Ų | 133 | 107.1 Ų | 107.1 | 90% | 0.899 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 117 | 173.4 | -170 | 0 | 0 | 0 | 0 | 108.9 | ||
| 8 | H | 76.3 | Confident | 75.4 | Confident | 74 Ų | 74 | 103.3 Ų | 103.3 | 34% | 0.343 | 53% | 0.53 | S | S | . | . | trans | -105.1 | 139.6 | 171.1 | -78.5 | -98.3 | 0 | 0 | 0 | 108.9 | K6 D10 D13 L14 | K6-H8 PolarHBondContact O-CD2 2.92Å; K6-H8 PolarHBondContact O-N 3.44Å; H8-D10 PolarHBondContact O-N 3.22Å; H8-D13 HydrophobicContact CB-CB 4.12Å; H8-L14 HydrophobicContact CB-CB 4.2Å | ||
| 9 | Q | 76.8 | Confident | 75.9 | Confident | 210 Ų | 210 | 102.6 Ų | 102.6 | 98% | 0.981 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -66.8 | -32.5 | 174.7 | -174.2 | 177 | -44.6 | 0 | 0 | 111.1 | ||
| 10 | D | 88.4 | Confident | 76.3 | Confident | 69 Ų | 69 | 102.7 Ų | 102.7 | 37% | 0.369 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -87.6 | 129.3 | 173.7 | -175.5 | -89.5 | 0 | 0 | 0 | 111.3 | H8 N12 D13 L14 | H8-D10 PolarHBondContact O-N 3.22Å; D10-N12 VanDerWaalsContact C-N 3.35Å; D10-N12 VanDerWaalsContact OD1-CA 3.29Å; D10-N12 WeakPolarHBondContact OD1-CA 3.49Å; D10-N12 VanDerWaalsContact OD1-CB 3.25Å; D10-N12 WeakPolarHBondContact OD1-CB 3.22Å; D10-N12 PolarHBondContact OD1-N 3.36Å; D10-D13 HydrophobicContact CB-CB 4.09Å; D10-D13 PolarHBondContact OD1-N 3.17Å; D10-L14 PolarHBondContact O-N 2.77Å |
| 11 | R | 82.6 | Confident | 76.3 | Confident | 199 Ų | 199 | 99.7 Ų | 99.7 | 75% | 0.751 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.8 | -35.3 | -178.3 | -176.6 | -175.9 | 69.1 | -168.7 | -0.4 | 112.2 | L14 L15 | R11-L14 PolarHBondContact O-N 3.39Å; R11-L15 WeakPolarHBondContact O-CB 3.4Å; R11-L15 PolarHBondContact O-N 3.37Å |
| 12 | N | 87.6 | Confident | 77.5 | Confident | 82 Ų | 82 | 101 Ų | 101 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.9 | -37.9 | -177.8 | -56.4 | -40.1 | 0 | 0 | 0 | 110 | D10 L14 L15 N16 | D10-N12 VanDerWaalsContact C-N 3.35Å; D10-N12 VanDerWaalsContact OD1-CA 3.29Å; D10-N12 WeakPolarHBondContact OD1-CA 3.49Å; D10-N12 VanDerWaalsContact OD1-CB 3.25Å; D10-N12 WeakPolarHBondContact OD1-CB 3.22Å; D10-N12 PolarHBondContact OD1-N 3.36Å; N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 3.18Å; N12-L15 PolarHBondContact O-N 3.26Å; N12-N16 WeakPolarHBondContact O-CB 3.23Å; N12-N16 PolarHBondContact O-N 3.45Å; N12-N16 PolarHBondContact O-ND2 3.43Å; N12-N16 VanDerWaalsContact O-ND2 3.15Å |
| 13 | D | 80.2 | Confident | 78.7 | Confident | 81 Ų | 81 | 96.7 Ų | 96.7 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 172.6 | -71.9 | -9.8 | 0 | 0 | 0 | 112 | H8 D10 S17 | H8-D13 HydrophobicContact CB-CB 4.12Å; D10-D13 HydrophobicContact CB-CB 4.09Å; D10-D13 PolarHBondContact OD1-N 3.17Å; D13-S17 WeakPolarHBondContact O-CB 3.19Å; D13-S17 PolarHBondContact O-N 3.33Å; D13-S17 PolarHBondContact O-OG 2.85Å |
| 14 | L | 79.9 | Confident | 79.2 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 173.6 | -179.7 | 63.9 | 0 | 0 | 0 | 111.4 | P5 K6 H8 D10 R11 N12 A18 | P5-L14 HydrophobicContact CB-CD1 3.81Å; P5-L14 HydrophobicContact CG-CD1 3.87Å; K6-L14 WeakPolarHBondContact O-CD1 3.46Å; H8-L14 HydrophobicContact CB-CB 4.2Å; D10-L14 PolarHBondContact O-N 2.77Å; R11-L14 PolarHBondContact O-N 3.39Å; N12-L14 VanDerWaalsContact C-N 3.33Å; N12-L14 PolarHBondContact O-N 3.18Å; L14-A18 WeakPolarHBondContact O-CB 3.16Å; L14-A18 PolarHBondContact O-N 2.05Å |
| 15 | L | 82.2 | Confident | 79.3 | Confident | 93 Ų | 93 | 96 Ų | 96 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | -178.9 | 179.4 | 61.9 | 0 | 0 | 0 | 111.6 | R11 N12 S17 A18 L19 | R11-L15 WeakPolarHBondContact O-CB 3.4Å; R11-L15 PolarHBondContact O-N 3.37Å; N12-L15 PolarHBondContact O-N 3.26Å; L15-S17 PolarHBondContact O-N 3.29Å; L15-A18 PolarHBondContact O-N 2.89Å; L15-L19 HydrophobicContact CD1-CD1 4.3Å; L15-L19 HydrophobicContact CD1-CG 4.37Å; L15-L19 HydrophobicContact CG-CD1 4.14Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 2.8Å |
| 16 | N | 84.8 | Confident | 79.7 | Confident | 83 Ų | 83 | 98.3 Ų | 98.3 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 179 | -68.5 | -24.8 | 0 | 0 | 0 | 110.7 | N12 A18 L19 D20 | N12-N16 WeakPolarHBondContact O-CB 3.23Å; N12-N16 PolarHBondContact O-N 3.45Å; N12-N16 PolarHBondContact O-ND2 3.43Å; N12-N16 VanDerWaalsContact O-ND2 3.15Å; N16-A18 VanDerWaalsContact C-N 3.29Å; N16-A18 PolarHBondContact O-N 3.15Å; N16-L19 PolarHBondContact O-N 3.02Å; N16-L19 VanDerWaalsContact O-N 3.14Å; N16-D20 VanDerWaalsContact O-CG 3.3Å; N16-D20 PolarHBondContact O-N 3.05Å |
| 17 | S | 77.4 | Confident | 79.7 | Confident | 35 Ų | 35 | 96.6 Ų | 96.6 | 25% | 0.245 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 177.1 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | D13 L15 I21 | D13-S17 WeakPolarHBondContact O-CB 3.19Å; D13-S17 PolarHBondContact O-N 3.33Å; D13-S17 PolarHBondContact O-OG 2.85Å; L15-S17 PolarHBondContact O-N 3.29Å; S17-I21 WeakPolarHBondContact O-CD1 3.17Å; S17-I21 VanDerWaalsContact O-CG1 3.27Å; S17-I21 WeakPolarHBondContact O-CG1 3.48Å; S17-I21 PolarHBondContact O-N 2.82Å |
| 18 | A | 82.3 | Confident | 79.6 | Confident | 39 Ų | 39 | 94.5 Ų | 94.5 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 L15 N16 K22 | L14-A18 WeakPolarHBondContact O-CB 3.16Å; L14-A18 PolarHBondContact O-N 2.05Å; L15-A18 PolarHBondContact O-N 2.89Å; N16-A18 VanDerWaalsContact C-N 3.29Å; N16-A18 PolarHBondContact O-N 3.15Å; A18-K22 WeakPolarHBondContact O-CB 3.36Å; A18-K22 PolarHBondContact O-N 3.12Å |
| 19 | L | 85.1 | Confident | 78.4 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 177.6 | -70.9 | 173.4 | 0 | 0 | 0 | 111.8 | L15 N16 I21 K22 E23 | L15-L19 HydrophobicContact CD1-CD1 4.3Å; L15-L19 HydrophobicContact CD1-CG 4.37Å; L15-L19 HydrophobicContact CG-CD1 4.14Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 2.8Å; N16-L19 PolarHBondContact O-N 3.02Å; N16-L19 VanDerWaalsContact O-N 3.14Å; L19-I21 PolarHBondContact O-N 3.09Å; L19-K22 WeakPolarHBondContact O-CB 3.27Å; L19-K22 PolarHBondContact O-N 2.83Å; L19-E23 WeakPolarHBondContact O-CB 3.36Å; L19-E23 PolarHBondContact O-N 3.44Å |
| 20 | D | 82.3 | Confident | 77.4 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -56.9 | -39.3 | 177.7 | -69.5 | -10.9 | 0 | 0 | 0 | 111.7 | N16 F24 | N16-D20 VanDerWaalsContact O-CG 3.3Å; N16-D20 PolarHBondContact O-N 3.05Å; D20-F24 WeakPolarHBondContact O-CB 3.35Å; D20-F24 PolarHBondContact O-N 3.18Å |
| 21 | I | 77.6 | Confident | 75.8 | Confident | 39 Ų | 39 | 92.9 Ų | 92.9 | 20% | 0.2 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -77.2 | -37.7 | -178.2 | -67.5 | 171.3 | 0 | 0 | 0 | 111 | Y3 S17 L19 E23 F24 F25 | Y3-I21 HydrophobicContact CD1-CB 4.28Å; Y3-I21 HydrophobicContact CD1-CD1 3.82Å; Y3-I21 HydrophobicContact CD1-CG2 3.66Å; Y3-I21 HydrophobicContact CD2-CD1 4.43Å; Y3-I21 HydrophobicContact CD2-CG2 4.25Å; Y3-I21 HydrophobicContact CE1-CB 4.34Å; Y3-I21 HydrophobicContact CE1-CD1 3.08Å; Y3-I21 HydrophobicContact CE1-CG1 4.26Å; Y3-I21 HydrophobicContact CE1-CG2 4.11Å; Y3-I21 HydrophobicContact CE2-CD1 3.81Å; Y3-I21 HydrophobicContact CG-CD1 4.44Å; Y3-I21 HydrophobicContact CG-CG2 3.75Å; Y3-I21 WeakPolarHBondContact OH-CD1 3.38Å; S17-I21 WeakPolarHBondContact O-CD1 3.17Å; S17-I21 VanDerWaalsContact O-CG1 3.27Å; S17-I21 WeakPolarHBondContact O-CG1 3.48Å; S17-I21 PolarHBondContact O-N 2.82Å; L19-I21 PolarHBondContact O-N 3.09Å; I21-E23 VanDerWaalsContact C-N 3.33Å; I21-F24 WeakPolarHBondContact O-CB 3.44Å; I21-F24 PolarHBondContact O-N 2.89Å; I21-F25 HydrophobicContact CG2-CD2 3.91Å; I21-F25 HydrophobicContact CG2-CE2 3.53Å; I21-F25 WeakPolarHBondContact O-CD2 3.05Å; I21-F25 PolarHBondContact O-N 2.78Å; I21-F25 VanDerWaalsContact O-N 3.15Å |
| 22 | K | 80.3 | Confident | 74.7 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 170 | 171.6 | 169 | 172.1 | 43.9 | 0 | 110.7 | A18 L19 F24 F25 D26 | A18-K22 WeakPolarHBondContact O-CB 3.36Å; A18-K22 PolarHBondContact O-N 3.12Å; L19-K22 WeakPolarHBondContact O-CB 3.27Å; L19-K22 PolarHBondContact O-N 2.83Å; K22-F24 VanDerWaalsContact C-N 3.33Å; K22-F24 PolarHBondContact O-N 3.47Å; K22-F25 PolarHBondContact O-N 3.29Å; K22-F25 VanDerWaalsContact O-N 3.11Å; K22-D26 WeakPolarHBondContact CE-OD2 3.44Å; K22-D26 WeakPolarHBondContact CG-OD2 3.48Å; K22-D26 IonicContact NZ-OD1 3.29Å; K22-D26 PolarHBondContact NZ-OD1 2.86Å; K22-D26 IonicContact NZ-OD2 2.68Å; K22-D26 PolarHBondContact NZ-OD2 3.11Å; K22-D26 VanDerWaalsContact O-CG 3.28Å; K22-D26 PolarHBondContact O-N 2.68Å |
| 23 | E | 82.3 | Confident | 73.3 | Confident | 101 Ų | 101 | 88.6 Ų | 88.6 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 178.9 | -175.4 | 178.5 | 172.3 | 0 | 0 | 111.7 | L19 I21 F25 D26 H27 | L19-E23 WeakPolarHBondContact O-CB 3.36Å; L19-E23 PolarHBondContact O-N 3.44Å; I21-E23 VanDerWaalsContact C-N 3.33Å; E23-F25 VanDerWaalsContact C-N 3.28Å; E23-F25 PolarHBondContact O-N 2.88Å; E23-D26 PolarHBondContact O-N 3.15Å; E23-H27 WeakPolarHBondContact CG-CE1 3.2Å; E23-H27 VanDerWaalsContact CG-ND1 3.3Å; E23-H27 WeakPolarHBondContact CG-ND1 3.43Å; E23-H27 WeakPolarHBondContact O-CB 3.35Å; E23-H27 PolarHBondContact O-N 3.38Å; E23-H27 IonicContact OE1-CE1 3.08Å; E23-H27 PolarHBondContact OE1-CE1 2.92Å; E23-H27 IonicContact OE1-ND1 3.57Å |
| 24 | F | 76.7 | Confident | 72.2 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.8 | -39.6 | 173.9 | 177.8 | -94.7 | 0 | 0 | 0 | 113 | D20 I21 K22 F33 | D20-F24 WeakPolarHBondContact O-CB 3.35Å; D20-F24 PolarHBondContact O-N 3.18Å; I21-F24 WeakPolarHBondContact O-CB 3.44Å; I21-F24 PolarHBondContact O-N 2.89Å; K22-F24 VanDerWaalsContact C-N 3.33Å; K22-F24 PolarHBondContact O-N 3.47Å; F24-F33 AromaticContact CE1-CE2 3.99Å; F24-F33 HydrophobicContact CE1-CE2 3.99Å; F24-F33 HydrophobicContact CE1-CZ 4.03Å; F24-F33 HydrophobicContact CZ-CZ 4.29Å |
| 25 | F | 73.1 | Confident | 70.9 | Confident | 84 Ų | 84 | 89.8 Ų | 89.8 | 37% | 0.368 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.7 | -39.5 | 176.2 | -73.5 | -64 | 0 | 0 | 0 | 112.7 | I21 K22 E23 H27 K28 F33 | I21-F25 HydrophobicContact CG2-CD2 3.91Å; I21-F25 HydrophobicContact CG2-CE2 3.53Å; I21-F25 WeakPolarHBondContact O-CD2 3.05Å; I21-F25 PolarHBondContact O-N 2.78Å; I21-F25 VanDerWaalsContact O-N 3.15Å; K22-F25 PolarHBondContact O-N 3.29Å; K22-F25 VanDerWaalsContact O-N 3.11Å; E23-F25 VanDerWaalsContact C-N 3.28Å; E23-F25 PolarHBondContact O-N 2.88Å; F25-H27 VanDerWaalsContact C-N 3.33Å; F25-H27 PolarHBondContact O-N 3.48Å; F25-K28 PolarHBondContact O-N 3.02Å; F25-F33 HydrophobicContact CD1-CE2 4.44Å; F25-F33 AromaticContact CE1-CD2 3.96Å; F25-F33 HydrophobicContact CE1-CD2 3.96Å; F25-F33 AromaticContact CE1-CE2 4Å; F25-F33 HydrophobicContact CE1-CE2 4Å |
| 26 | D | 74.6 | Confident | 69.2 | Low | 94 Ų | 94 | 93 Ų | 93 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -34.2 | -179.7 | -69.1 | -19.3 | 0 | 0 | 0 | 111.7 | K22 E23 | K22-D26 WeakPolarHBondContact CE-OD2 3.44Å; K22-D26 WeakPolarHBondContact CG-OD2 3.48Å; K22-D26 IonicContact NZ-OD1 3.29Å; K22-D26 PolarHBondContact NZ-OD1 2.86Å; K22-D26 IonicContact NZ-OD2 2.68Å; K22-D26 PolarHBondContact NZ-OD2 3.11Å; K22-D26 VanDerWaalsContact O-CG 3.28Å; K22-D26 PolarHBondContact O-N 2.68Å; E23-D26 PolarHBondContact O-N 3.15Å |
| 27 | H | 74.6 | Confident | 67.4 | Low | 125 Ų | 125 | 98.8 Ų | 98.8 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -11.4 | -180 | -68.2 | 160.9 | 0 | 0 | 0 | 114.9 | E23 F25 N29 | E23-H27 WeakPolarHBondContact CG-CE1 3.2Å; E23-H27 VanDerWaalsContact CG-ND1 3.3Å; E23-H27 WeakPolarHBondContact CG-ND1 3.43Å; E23-H27 WeakPolarHBondContact O-CB 3.35Å; E23-H27 PolarHBondContact O-N 3.38Å; E23-H27 IonicContact OE1-CE1 3.08Å; E23-H27 PolarHBondContact OE1-CE1 2.92Å; E23-H27 IonicContact OE1-ND1 3.57Å; F25-H27 VanDerWaalsContact C-N 3.33Å; F25-H27 PolarHBondContact O-N 3.48Å; H27-N29 PolarHBondContact O-N 3.23Å |
| 28 | K | 65.8 | Low | 65.9 | Low | 88 Ų | 88 | 100.2 Ų | 100.2 | 38% | 0.383 | 53% | 0.532 | S | S | . | . | trans | -79 | 86.8 | 173.1 | -93.2 | -128 | 175.9 | -175.5 | 0 | 110.3 | F25 G30 F33 | F25-K28 PolarHBondContact O-N 3.02Å; K28-G30 VanDerWaalsContact C-N 3.33Å; K28-G30 PolarHBondContact O-N 3.42Å; K28-F33 HydrophobicContact CD-CE2 4.26Å; K28-F33 HydrophobicContact CD-CZ 4.45Å | ||
| 29 | N | 52.1 | Low | 64.2 | Low | 160 Ų | 160 | 103.4 Ų | 103.4 | 86% | 0.856 | 55% | 0.55 | S | S | * | . | trans | -58.1 | 85.9 | 170 | -74.1 | -46.8 | 0 | 0 | 0 | 112.2 | H27 | H27-N29 PolarHBondContact O-N 3.23Š| ||
| 30 | G | 54.7 | Low | 62.7 | Low | 68 Ų | 68 | 103.7 Ų | 103.7 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 87.6 | 10.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | K28 P32 | K28-G30 VanDerWaalsContact C-N 3.33Å; K28-G30 PolarHBondContact O-N 3.42Å; G30-P32 VanDerWaalsContact C-CD 3.46Å; G30-P32 WeakPolarHBondContact O-CD 3.3Å |
| 31 | T | 56 | Low | 61.2 | Low | 91 Ų | 91 | 101.9 Ų | 101.9 | 56% | 0.558 | 56% | 0.561 | S | S | * | * | trans | -105.2 | 86.6 | 161.5 | 43.7 | 0 | 0 | 0 | 0 | 109.8 | F33 | T31-F33 PolarHBondContact O-N 3.32Š| ||
| 32 | P | 59.4 | Low | 59.8 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 74% | 0.74 | 59% | 0.591 | S | S | * | * | trans | -58.5 | 128.8 | 170.9 | 24 | -30.8 | 0 | 0 | 0 | 108.2 | G30 S34 | G30-P32 VanDerWaalsContact C-CD 3.46Å; G30-P32 WeakPolarHBondContact O-CD 3.3Å; P32-S34 PolarHBondContact O-N 2.96Å | ||
| 33 | F | 58.4 | Low | 58.3 | Low | 78 Ų | 78 | 108.8 Ų | 108.8 | 34% | 0.342 | 61% | 0.607 | S | S | . | * | trans | -59 | 133 | 161.9 | -65.2 | -85.3 | 0 | 0 | 0 | 107 | F24 F25 K28 T31 C35 | F24-F33 AromaticContact CE1-CE2 3.99Å; F24-F33 HydrophobicContact CE1-CE2 3.99Å; F24-F33 HydrophobicContact CE1-CZ 4.03Å; F24-F33 HydrophobicContact CZ-CZ 4.29Å; F25-F33 HydrophobicContact CD1-CE2 4.44Å; F25-F33 AromaticContact CE1-CD2 3.96Å; F25-F33 HydrophobicContact CE1-CD2 3.96Å; F25-F33 AromaticContact CE1-CE2 4Å; F25-F33 HydrophobicContact CE1-CE2 4Å; K28-F33 HydrophobicContact CD-CE2 4.26Å; K28-F33 HydrophobicContact CD-CZ 4.45Å; T31-F33 PolarHBondContact O-N 3.32Å; F33-C35 PolarHBondContact O-N 3.49Å | ||
| 34 | S | 55.7 | Low | 56.5 | Low | 92 Ų | 92 | 111.6 Ų | 111.6 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | trans | -60.9 | 101.8 | 174.2 | -56.4 | 0 | 0 | 0 | 0 | 108.4 | P32 F36 | P32-S34 PolarHBondContact O-N 2.96Å; S34-F36 WeakPolarHBondContact O-CD2 3.34Å; S34-F36 WeakPolarHBondContact O-CE2 3.33Å; S34-F36 PolarHBondContact O-N 3.01Å; S34-F36 VanDerWaalsContact O-N 3.17Å | ||
| 35 | C | 52.9 | Low | 54.8 | Low | 75 Ų | 75 | 112.3 Ų | 112.3 | 51% | 0.507 | 63% | 0.629 | S | S | . | * | trans | -69.8 | 109.5 | 172 | -53.1 | 0 | 0 | 0 | 0 | 106.3 | C1 F33 Y37 | C1-C35 WeakPolarHBondContact CB-SG 3.39Å; C1-C35 WeakPolarHBondContact SG-CB 3.42Å; C1-C35 CovalentContact SG-SG 2.05Å; C1-C35 PolarHBondContact SG-SG 3.22Å; F33-C35 PolarHBondContact O-N 3.49Å; C35-Y37 PolarHBondContact O-N 3.07Å | ||
| 36 | F | 47.3 | Very low | 53.4 | Low | 162 Ų | 162 | 112.7 Ų | 112.7 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | trans | -80.5 | 116 | 175.6 | -68.7 | -86.7 | 0 | 0 | 0 | 109.1 | S34 | S34-F36 WeakPolarHBondContact O-CD2 3.34Å; S34-F36 WeakPolarHBondContact O-CE2 3.33Å; S34-F36 PolarHBondContact O-N 3.01Å; S34-F36 VanDerWaalsContact O-N 3.17Å | ||
| 37 | Y | 46.1 | Very low | 52.1 | Low | 204 Ų | 204 | 114.6 Ų | 114.6 | 80% | 0.8 | 65% | 0.647 | S | S | * | * | trans | -95 | 113.3 | 172 | 177.6 | -106.9 | 0 | 0 | 0 | 108.7 | C35 P39 | C35-Y37 PolarHBondContact O-N 3.07Å; Y37-P39 HydrophobicContact CE1-CB 3.86Å; Y37-P39 HydrophobicContact CE1-CG 4.42Å; Y37-P39 WeakPolarHBondContact O-CD 3.29Å | ||
| 38 | S | 47.7 | Very low | 50.9 | Low | 65 Ų | 65 | 113.7 Ų | 113.7 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | trans | -101.5 | 107.5 | 172.1 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | A40 S41 | S38-A40 PolarHBondContact O-N 2.98Å; S38-S41 WeakPolarHBondContact CB-OG 3.25Å; S38-S41 PolarHBondContact O-N 3.32Å; S38-S41 PolarHBondContact O-OG 3.14Å; S38-S41 PolarHBondContact OG-OG 3.22Å | ||
| 39 | P | 45.3 | Very low | 49.8 | Very low | 105 Ų | 105 | 115.7 Ų | 115.7 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -8.4 | 179.7 | 26.2 | -32 | 0 | 0 | 0 | 113.7 | Y37 | Y37-P39 HydrophobicContact CE1-CB 3.86Å; Y37-P39 HydrophobicContact CE1-CG 4.42Å; Y37-P39 WeakPolarHBondContact O-CD 3.29Å |
| 40 | A | 53.4 | Low | 49.4 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 80% | 0.802 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -11.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S38 | S38-A40 PolarHBondContact O-N 2.98Š|
| 41 | S | 50.3 | Low | 48.8 | Very low | 66 Ų | 66 | 120.9 Ų | 120.9 | 46% | 0.462 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -97.4 | 123.9 | 176.2 | 30.7 | 0 | 0 | 0 | 0 | 109.2 | S38 S43 | S38-S41 WeakPolarHBondContact CB-OG 3.25Å; S38-S41 PolarHBondContact O-N 3.32Å; S38-S41 PolarHBondContact O-OG 3.14Å; S38-S41 PolarHBondContact OG-OG 3.22Å; S41-S43 PolarHBondContact O-N 3.48Å |
| 42 | Q | 48.2 | Very low | 47.6 | Very low | 180 Ų | 180 | 121.9 Ų | 121.9 | 84% | 0.841 | 67% | 0.668 | S | S | * | * | trans | -48.6 | 135.4 | 167.5 | -68.9 | 178 | 45.1 | 0 | 0 | 108.7 | E44 | Q42-E44 PolarHBondContact O-N 3Š| ||
| 43 | S | 49.4 | Very low | 46.2 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 84% | 0.839 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 56.6 | -157 | 53.6 | 0 | 0 | 0 | 0 | 114.9 | S41 | S41-S43 PolarHBondContact O-N 3.48Š|
| 44 | E | 44 | Very low | 45.4 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -24.7 | -175.6 | -86.2 | 157.5 | -164.8 | 0 | 0 | 116.1 | Q42 | Q42-E44 PolarHBondContact O-N 3Š|
| 45 | D | 41.5 | Very low | 44.1 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | trans | -146.3 | 104.8 | 177.8 | -78.6 | -57.8 | 0 | 0 | 0 | 113.3 | I47 | D45-I47 PolarHBondContact O-N 2.93Š| ||
| 46 | V | 44.1 | Very low | 43.3 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 56% | 0.564 | 72% | 0.722 | S | S | * | * | trans | -79.9 | 95.3 | 169.8 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | L48 | V46-L48 PolarHBondContact O-N 3.24Š| ||
| 47 | I | 48.2 | Very low | 42.7 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -73.9 | 117 | 178.3 | -57.2 | 176.7 | 0 | 0 | 0 | 109.6 | D45 I49 | D45-I47 PolarHBondContact O-N 2.93Å; I47-I49 HydrophobicContact CG2-CG1 4.05Å; I47-I49 PolarHBondContact O-N 3.22Å | ||
| 48 | L | 47.8 | Very low | 42.1 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 55% | 0.55 | 72% | 0.721 | S | S | . | * | trans | -72.6 | 93.4 | 168.4 | -87.5 | 120.6 | 0 | 0 | 0 | 110.1 | V46 K50 | V46-L48 PolarHBondContact O-N 3.24Å; L48-K50 PolarHBondContact O-N 3.08Å | ||
| 49 | I | 44.2 | Very low | 41.6 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | trans | -80.1 | 105.6 | 166.1 | -55.2 | -179.9 | 0 | 0 | 0 | 107.7 | I47 N51 | I47-I49 HydrophobicContact CG2-CG1 4.05Å; I47-I49 PolarHBondContact O-N 3.22Å; I49-N51 PolarHBondContact O-N 3.35Å | ||
| 50 | K | 43 | Very low | 41 | Very low | 181 Ų | 181 | 139 Ų | 139 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | trans | -75 | 108.8 | 169.6 | -157.5 | 175.7 | -174.5 | -177 | 0 | 107 | L48 V52 | L48-K50 PolarHBondContact O-N 3.08Å; K50-V52 VanDerWaalsContact C-N 3.3Å; K50-V52 PolarHBondContact O-N 3.33Å | ||
| 51 | N | 41.6 | Very low | 40.2 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | trans | -63.3 | 93.2 | 171.6 | -94.6 | 3.9 | 0 | 0 | 0 | 109.3 | I49 | I49-N51 PolarHBondContact O-N 3.35Š| ||
| 52 | V | 31.8 | Very low | 39.3 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | -114.1 | 121.1 | 155.2 | -176.7 | 0 | 0 | 0 | 0 | 104.6 | K50 L54 | K50-V52 VanDerWaalsContact C-N 3.3Å; K50-V52 PolarHBondContact O-N 3.33Å; V52-L54 PolarHBondContact O-N 3.18Å; V52-L54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | M | 29.3 | Very low | 39 | Very low | 177 Ų | 177 | 145 Ų | 145 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -41.9 | 123.6 | 172.2 | -76.6 | -172 | 177 | 0 | 0 | 110.2 | ||
| 54 | L | 41.9 | Very low | 38.4 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | 41 | 80.2 | 154.3 | -69.9 | 159.7 | 0 | 0 | 0 | 116.3 | V52 | V52-L54 PolarHBondContact O-N 3.18Å; V52-L54 VanDerWaalsContact O-N 3.15Å | ||
| 55 | Q | 29.1 | Very low | 38.1 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | -130.6 | 90.5 | 141.1 | -78.5 | -170.1 | -29.9 | 0 | 0 | 109.3 | A57 | Q55-A57 PolarHBondContact O-N 3.46Å; Q55-A57 VanDerWaalsContact O-N 3.12Å | ||
| 56 | T | 35 | Very low | 37.9 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | 2 | 93.3 | 146 | 33.5 | 0 | 0 | 0 | 0 | 115.3 | E58 | T56-E58 PolarHBondContact O-N 2.76Š| ||
| 57 | A | 34.1 | Very low | 37.6 | Very low | 88 Ų | 88 | 155.9 Ų | 155.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -92.6 | 80.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q55 L59 | Q55-A57 PolarHBondContact O-N 3.46Å; Q55-A57 VanDerWaalsContact O-N 3.12Å; A57-L59 PolarHBondContact O-N 3.5Å | ||
| 58 | E | 35.3 | Very low | 37 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -62.8 | 88.8 | 155.1 | -75.1 | -74.5 | 125.4 | 0 | 0 | 106.7 | T56 K60 | T56-E58 PolarHBondContact O-N 2.76Å; E58-K60 PolarHBondContact O-N 2.86Å | ||
| 59 | L | 35.5 | Very low | 36.3 | Very low | 161 Ų | 161 | 160.4 Ų | 160.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -66.7 | 82.8 | 159.8 | -93.1 | 156.4 | 0 | 0 | 0 | 106.5 | A57 K61 | A57-L59 PolarHBondContact O-N 3.5Å; L59-K61 PolarHBondContact O-N 3.15Å | ||
| 60 | K | 33.3 | Very low | 35.8 | Very low | 193 Ų | 193 | 162.5 Ų | 162.5 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -61 | 91.9 | 165.2 | -128.9 | 178.5 | -171 | 179.3 | 0 | 106.7 | E58 S62 | E58-K60 PolarHBondContact O-N 2.86Å; K60-S62 VanDerWaalsContact C-N 3.29Å; K60-S62 PolarHBondContact O-N 2.81Å | ||
| 61 | K | 35.9 | Very low | 35.3 | Very low | 158 Ų | 158 | 161.1 Ų | 161.1 | 69% | 0.687 | 82% | 0.821 | S | S | * | * | trans | -62.6 | 93.2 | 169.9 | -175.4 | 171.3 | -175.1 | 169 | 0 | 107 | L59 R63 | L59-K61 PolarHBondContact O-N 3.15Å; K61-R63 PolarHBondContact O-N 2.78Å; K61-R63 VanDerWaalsContact O-N 3.09Å | ||
| 62 | S | 32.1 | Very low | 34.8 | Very low | 115 Ų | 115 | 161.5 Ų | 161.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -61.4 | 110.2 | 166.8 | -170.4 | 0 | 0 | 0 | 0 | 107.5 | K60 | K60-S62 VanDerWaalsContact C-N 3.29Å; K60-S62 PolarHBondContact O-N 2.81Å | ||
| 63 | R | 43.3 | Very low | 35 | Very low | 196 Ų | 196 | 165.6 Ų | 165.6 | 74% | 0.74 | 83% | 0.831 | S | S | * | * | trans | -122.9 | 104.1 | 170 | -130.2 | -165.1 | -60.6 | -173.3 | 3 | 106.1 | K61 | K61-R63 PolarHBondContact O-N 2.78Å; K61-R63 VanDerWaalsContact O-N 3.09Å | ||
| 64 | H | 35.9 | Very low | 35.6 | Very low | 263 Ų | 263 | 164.5 Ų | 164.5 | 100% | 1.218 | 83% | 0.828 | S | S | * | * | trans | 61.8 | 0 | 174.5 | -97.4 | -61.7 | 0 | 0 | 0 | 119 |
Retrieved 64 of 64 residues in 108.4 ms
(Link to these results)