| 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 | 39.3 | Very low | 43.4 | Very low | 240 Ų | 240 | 120.6 Ų | 120.6 | 100% | 1.182 | 65% | 0.654 | S | S | * | * | 0 | 99.6 | 0 | -81.1 | 176.5 | 155.7 | 0 | 0 | 107.4 | S3 | M1-S3 PolarHBondContact O-N 2.8Å; M1-S3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | T | 41 | Very low | 43.5 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 85% | 0.853 | 66% | 0.655 | S | S | * | * | trans | -82.1 | 95.7 | -170.8 | -47.8 | 0 | 0 | 0 | 0 | 109.7 | I4 | T2-I4 PolarHBondContact O-N 3.35Å; T2-I4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | S | 37.6 | Very low | 43.5 | Very low | 63 Ų | 63 | 120.5 Ų | 120.5 | 44% | 0.441 | 64% | 0.639 | S | S | . | * | trans | 26 | 66.4 | 149.2 | -49.9 | 0 | 0 | 0 | 0 | 118.9 | M1 S5 L6 | M1-S3 PolarHBondContact O-N 2.8Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-S5 PolarHBondContact O-N 2.97Å; S3-L6 PolarHBondContact O-N 3.3Å | ||
| 4 | I | 47.5 | Very low | 43.6 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.3 | -27.8 | 159.6 | -70.7 | 172.4 | 0 | 0 | 0 | 110.5 | T2 L6 I7 Y8 | T2-I4 PolarHBondContact O-N 3.35Å; T2-I4 VanDerWaalsContact O-N 3.1Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.48Å; I4-I7 PolarHBondContact O-N 2.87Å; I4-Y8 HydrophobicContact CG2-CD2 3.88Å; I4-Y8 HydrophobicContact CG2-CE2 3.37Å; I4-Y8 VanDerWaalsContact O-CD2 3.23Å; I4-Y8 WeakPolarHBondContact O-CD2 3.29Å |
| 5 | S | 42.5 | Very low | 43.9 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.3 | -23 | 179.4 | -155.7 | 0 | 0 | 0 | 0 | 115.1 | S3 | S3-S5 PolarHBondContact O-N 2.97Å |
| 6 | L | 38.1 | Very low | 44.5 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 60% | 0.597 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -80.5 | -23 | 178 | -71.3 | 171.6 | 0 | 0 | 0 | 112.7 | S3 I4 S10 | S3-L6 PolarHBondContact O-N 3.3Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.48Å; L6-S10 PolarHBondContact O-OG 3.15Å |
| 7 | I | 43.1 | Very low | 45.4 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77 | -32.6 | 177.3 | -57.8 | 173.8 | 0 | 0 | 0 | 110.1 | I4 D9 N11 | I4-I7 PolarHBondContact O-N 2.87Å; I7-D9 VanDerWaalsContact C-N 3.33Å; I7-N11 PolarHBondContact O-N 3.04Å |
| 8 | Y | 44.2 | Very low | 46.9 | Very low | 170 Ų | 170 | 120.7 Ų | 120.7 | 67% | 0.667 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.3 | -29.4 | 175.9 | -75.6 | -70.1 | 0 | 0 | 0 | 113.2 | I4 F12 | I4-Y8 HydrophobicContact CG2-CD2 3.88Å; I4-Y8 HydrophobicContact CG2-CE2 3.37Å; I4-Y8 VanDerWaalsContact O-CD2 3.23Å; I4-Y8 WeakPolarHBondContact O-CD2 3.29Å; Y8-F12 WeakPolarHBondContact O-CB 3.21Å; Y8-F12 PolarHBondContact O-N 3.44Å |
| 9 | D | 49.4 | Very low | 48.3 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 54% | 0.535 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -74.4 | -42.8 | 179 | -156.6 | 36.4 | 0 | 0 | 0 | 111.6 | I7 N11 F12 I13 | I7-D9 VanDerWaalsContact C-N 3.33Å; D9-N11 PolarHBondContact O-N 2.87Å; D9-F12 PolarHBondContact O-N 3.3Å; D9-I13 WeakPolarHBondContact O-CD1 3.47Å; D9-I13 VanDerWaalsContact O-CG1 3.23Å; D9-I13 WeakPolarHBondContact O-CG1 3.42Å; D9-I13 PolarHBondContact O-N 3.29Å; D9-I13 VanDerWaalsContact O-N 3.16Å |
| 10 | S | 48.1 | Very low | 49.5 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 54% | 0.538 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.7 | -34.2 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 113.3 | L6 I14 | L6-S10 PolarHBondContact O-OG 3.15Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å |
| 11 | N | 46.8 | Very low | 50.8 | Low | 97 Ų | 97 | 111.3 Ų | 111.3 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -79.5 | -25.3 | 178.9 | -79.5 | -12 | 0 | 0 | 0 | 113.2 | I7 D9 | I7-N11 PolarHBondContact O-N 3.04Å; D9-N11 PolarHBondContact O-N 2.87Å |
| 12 | F | 44.3 | Very low | 52.8 | Low | 152 Ų | 152 | 102.7 Ų | 102.7 | 67% | 0.667 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -79.2 | -33.3 | 176.8 | -156.5 | -96.2 | 0 | 0 | 0 | 111.8 | Y8 D9 I14 F15 | Y8-F12 WeakPolarHBondContact O-CB 3.21Å; Y8-F12 PolarHBondContact O-N 3.44Å; D9-F12 PolarHBondContact O-N 3.3Å; F12-I14 PolarHBondContact O-N 3.35Å; F12-F15 PolarHBondContact O-N 2.87Å; F12-F15 VanDerWaalsContact O-N 3.1Å |
| 13 | I | 43.4 | Very low | 54.7 | Low | 88 Ų | 88 | 97 Ų | 97 | 45% | 0.451 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -30.3 | 176.1 | -68.2 | 166.5 | 0 | 0 | 0 | 111.6 | D9 F15 Q16 I17 | D9-I13 WeakPolarHBondContact O-CD1 3.47Å; D9-I13 VanDerWaalsContact O-CG1 3.23Å; D9-I13 WeakPolarHBondContact O-CG1 3.42Å; D9-I13 PolarHBondContact O-N 3.29Å; D9-I13 VanDerWaalsContact O-N 3.16Å; I13-F15 VanDerWaalsContact C-N 3.27Å; I13-F15 PolarHBondContact O-N 3.05Å; I13-Q16 PolarHBondContact O-N 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.33Å; I13-I17 PolarHBondContact O-N 3.26Å |
| 14 | I | 45.7 | Very low | 56.8 | Low | 101 Ų | 101 | 99.8 Ų | 99.8 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -64.8 | -31 | 178.8 | -57.9 | 169.3 | 0 | 0 | 0 | 111.8 | S10 F12 | S10-I14 WeakPolarHBondContact O-CG1 3.45Å; F12-I14 PolarHBondContact O-N 3.35Å |
| 15 | F | 47.4 | Very low | 58.6 | Low | 182 Ų | 182 | 98.8 Ų | 98.8 | 80% | 0.798 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -78.2 | -21.4 | 177.6 | -79.9 | -79.9 | 0 | 0 | 0 | 113.6 | F12 I13 | F12-F15 PolarHBondContact O-N 2.87Å; F12-F15 VanDerWaalsContact O-N 3.1Å; I13-F15 VanDerWaalsContact C-N 3.27Å; I13-F15 PolarHBondContact O-N 3.05Å |
| 16 | Q | 53.5 | Low | 60.8 | Low | 163 Ų | 163 | 96.9 Ų | 96.9 | 76% | 0.762 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -90.4 | -0.6 | 176.4 | -156.5 | 178.7 | 6.4 | 0 | 0 | 113 | I13 D18 | I13-Q16 PolarHBondContact O-N 3.27Å; Q16-D18 PolarHBondContact O-N 3.34Å |
| 17 | I | 60.6 | Low | 63.2 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 40% | 0.395 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -73.8 | 112.3 | 170.5 | -56.5 | 174.4 | 0 | 0 | 0 | 106.9 | I13 L19 I22 | I13-I17 WeakPolarHBondContact O-CG1 3.33Å; I13-I17 PolarHBondContact O-N 3.26Å; I17-L19 PolarHBondContact O-N 3.14Å; I17-I22 HydrophobicContact CB-CD1 4.23Å; I17-I22 HydrophobicContact CG2-CD1 3.63Å; I17-I22 HydrophobicContact CG2-CG1 3.46Å; I17-I22 VanDerWaalsContact CG2-CG1 3.46Å |
| 18 | D | 71.6 | Confident | 65.4 | Low | 82 Ų | 82 | 94.5 Ų | 94.5 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | trans | -49.9 | 108.3 | 172.2 | 179.6 | 9.7 | 0 | 0 | 0 | 108.6 | Q16 H20 A21 I22 | Q16-D18 PolarHBondContact O-N 3.34Å; D18-H20 PolarHBondContact O-N 3.47Å; D18-H20 VanDerWaalsContact O-N 3.08Å; D18-H20 VanDerWaalsContact OD1-CB 3.31Å; D18-H20 WeakPolarHBondContact OD1-CB 3.43Å; D18-H20 PolarHBondContact OD1-N 3.21Å; D18-H20 VanDerWaalsContact OD1-N 3.16Å; D18-H20 IonicContact OD2-ND1 3.8Å; D18-A21 HydrophobicContact CB-CB 3.93Å; D18-A21 VanDerWaalsContact O-CA 3.3Å; D18-A21 WeakPolarHBondContact O-CA 3.3Å; D18-A21 WeakPolarHBondContact O-CB 3.2Å; D18-A21 PolarHBondContact O-N 2.66Å; D18-I22 PolarHBondContact O-N 2.99Å; D18-I22 VanDerWaalsContact O-N 3.08Å | ||
| 19 | L | 74.2 | Confident | 67.7 | Low | 62 Ų | 62 | 93.4 Ų | 93.4 | 33% | 0.325 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.7 | -25.1 | -177 | -132.6 | 75.3 | 0 | 0 | 0 | 111.1 | I17 I22 D23 L53 L54 | I17-L19 PolarHBondContact O-N 3.14Å; L19-I22 HydrophobicContact CD1-CD1 3.85Å; L19-I22 HydrophobicContact CG-CD1 4.48Å; L19-I22 WeakPolarHBondContact O-CB 3.28Å; L19-I22 PolarHBondContact O-N 3.34Å; L19-D23 PolarHBondContact O-N 2.99Å; L19-L53 HydrophobicContact CD2-CB 3.62Å; L19-L53 WeakPolarHBondContact CD2-O 3.43Å; L19-L54 HydrophobicContact CD2-CD2 3.82Å; L19-L54 HydrophobicContact CD2-CG 4.2Å; L19-L54 HydrophobicContact CG-CD2 4Å |
| 20 | H | 71.9 | Confident | 69.7 | Low | 63 Ų | 63 | 94.8 Ų | 94.8 | 29% | 0.292 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.2 | -31 | 171.3 | 168.1 | -107.6 | 0 | 0 | 0 | 112.7 | D18 I22 K24 | D18-H20 PolarHBondContact O-N 3.47Å; D18-H20 VanDerWaalsContact O-N 3.08Å; D18-H20 VanDerWaalsContact OD1-CB 3.31Å; D18-H20 WeakPolarHBondContact OD1-CB 3.43Å; D18-H20 PolarHBondContact OD1-N 3.21Å; D18-H20 VanDerWaalsContact OD1-N 3.16Å; D18-H20 IonicContact OD2-ND1 3.8Å; H20-I22 VanDerWaalsContact C-N 3.34Å; H20-K24 WeakPolarHBondContact CE1-CE 3.34Å; H20-K24 PolarHBondContact CE1-NZ 3.08Å; H20-K24 VanDerWaalsContact CE1-NZ 3.35Å; H20-K24 WeakPolarHBondContact NE2-CE 3.28Å; H20-K24 WeakPolarHBondContact O-CG 3.49Å; H20-K24 PolarHBondContact O-N 3.38Å; H20-K24 VanDerWaalsContact O-N 3.14Å |
| 21 | A | 77.7 | Confident | 71.7 | Confident | 40 Ų | 40 | 94.2 Ų | 94.2 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -38 | 167 | 0 | 0 | 0 | 0 | 0 | 111.3 | D18 K24 V25 | D18-A21 HydrophobicContact CB-CB 3.93Å; D18-A21 VanDerWaalsContact O-CA 3.3Å; D18-A21 WeakPolarHBondContact O-CA 3.3Å; D18-A21 WeakPolarHBondContact O-CB 3.2Å; D18-A21 PolarHBondContact O-N 2.66Å; A21-K24 PolarHBondContact O-N 3.18Å; A21-V25 VanDerWaalsContact O-CG2 3.3Å; A21-V25 WeakPolarHBondContact O-CG2 3.48Å; A21-V25 PolarHBondContact O-N 3.16Å |
| 22 | I | 81.3 | Confident | 73.8 | Confident | 60 Ų | 60 | 92 Ų | 92 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 174.4 | -57.5 | -177.1 | 0 | 0 | 0 | 110.9 | I17 D18 L19 H20 K24 V25 Y26 L34 | I17-I22 HydrophobicContact CB-CD1 4.23Å; I17-I22 HydrophobicContact CG2-CD1 3.63Å; I17-I22 HydrophobicContact CG2-CG1 3.46Å; I17-I22 VanDerWaalsContact CG2-CG1 3.46Å; D18-I22 PolarHBondContact O-N 2.99Å; D18-I22 VanDerWaalsContact O-N 3.08Å; L19-I22 HydrophobicContact CD1-CD1 3.85Å; L19-I22 HydrophobicContact CG-CD1 4.48Å; L19-I22 WeakPolarHBondContact O-CB 3.28Å; L19-I22 PolarHBondContact O-N 3.34Å; H20-I22 VanDerWaalsContact C-N 3.34Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.35Å; I22-V25 PolarHBondContact O-N 2.79Å; I22-Y26 VanDerWaalsContact O-CB 3.28Å; I22-Y26 WeakPolarHBondContact O-CB 3.46Å; I22-Y26 PolarHBondContact O-N 3.26Å; I22-L34 HydrophobicContact CG2-CD2 4.17Å |
| 23 | D | 80.5 | Confident | 75.8 | Confident | 18 Ų | 18 | 89.1 Ų | 89.1 | 10% | 0.096 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.9 | -39.4 | 178 | -174.4 | 56.3 | 0 | 0 | 0 | 111.8 | L19 Y26 K27 Y33 L34 S35 L54 | L19-D23 PolarHBondContact O-N 2.99Å; D23-Y26 PolarHBondContact O-N 3.19Å; D23-K27 PolarHBondContact O-N 2.93Å; D23-Y33 VanDerWaalsContact OD2-CD1 3.28Å; D23-Y33 WeakPolarHBondContact OD2-CD1 3.31Å; D23-L34 WeakPolarHBondContact OD1-CB 3.31Å; D23-L34 PolarHBondContact OD1-N 3.09Å; D23-S35 PolarHBondContact OD1-N 3.45Å; D23-L54 HydrophobicContact CB-CD2 4.48Å |
| 24 | K | 81.1 | Confident | 77.9 | Confident | 123 Ų | 123 | 86.8 Ų | 86.8 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 173.5 | -74.3 | 179 | 177.2 | 178.8 | 0 | 113.3 | H20 A21 I22 Y26 K27 A28 | H20-K24 WeakPolarHBondContact CE1-CE 3.34Å; H20-K24 PolarHBondContact CE1-NZ 3.08Å; H20-K24 VanDerWaalsContact CE1-NZ 3.35Å; H20-K24 WeakPolarHBondContact NE2-CE 3.28Å; H20-K24 WeakPolarHBondContact O-CG 3.49Å; H20-K24 PolarHBondContact O-N 3.38Å; H20-K24 VanDerWaalsContact O-N 3.14Å; A21-K24 PolarHBondContact O-N 3.18Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.35Å; K24-Y26 VanDerWaalsContact C-N 3.28Å; K24-Y26 PolarHBondContact O-N 3.24Å; K24-K27 PolarHBondContact O-N 3.3Å; K24-A28 PolarHBondContact O-N 2.75Å |
| 25 | V | 86.4 | Confident | 79.9 | Confident | 98 Ų | 98 | 83.4 Ų | 83.4 | 59% | 0.594 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | A21 I22 A28 K29 | A21-V25 VanDerWaalsContact O-CG2 3.3Å; A21-V25 WeakPolarHBondContact O-CG2 3.48Å; A21-V25 PolarHBondContact O-N 3.16Å; I22-V25 PolarHBondContact O-N 2.79Å; V25-A28 PolarHBondContact O-N 3.4Å; V25-K29 WeakPolarHBondContact O-CB 3.3Å; V25-K29 PolarHBondContact O-N 3.07Å |
| 26 | Y | 86.7 | Confident | 81.8 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 176.6 | -165.9 | -86.8 | 0 | 0 | 0 | 111.2 | I22 D23 K24 A28 K29 Y30 I32 L34 D37 | I22-Y26 VanDerWaalsContact O-CB 3.28Å; I22-Y26 WeakPolarHBondContact O-CB 3.46Å; I22-Y26 PolarHBondContact O-N 3.26Å; D23-Y26 PolarHBondContact O-N 3.19Å; K24-Y26 VanDerWaalsContact C-N 3.28Å; K24-Y26 PolarHBondContact O-N 3.24Å; Y26-A28 PolarHBondContact O-N 2.97Å; Y26-K29 PolarHBondContact O-N 3.34Å; Y26-K29 VanDerWaalsContact O-N 3.15Å; Y26-Y30 AromaticContact CD1-CD2 3.85Å; Y26-Y30 HydrophobicContact CD1-CD2 3.85Å; Y26-Y30 AromaticContact CD2-CD2 3.65Å; Y26-Y30 HydrophobicContact CD2-CD2 3.65Å; Y26-Y30 AromaticContact CD2-CE2 3.68Å; Y26-Y30 HydrophobicContact CD2-CE2 3.68Å; Y26-Y30 AromaticContact CE1-CD2 3.73Å; Y26-Y30 HydrophobicContact CE1-CD2 3.73Å; Y26-Y30 HydrophobicContact CE1-CG 4.3Å; Y26-Y30 AromaticContact CE2-CD2 3.52Å; Y26-Y30 HydrophobicContact CE2-CD2 3.52Å; Y26-Y30 AromaticContact CE2-CE2 3.49Å; Y26-Y30 HydrophobicContact CE2-CE2 3.49Å; Y26-Y30 VanDerWaalsContact CE2-CE2 3.49Å; Y26-Y30 AromaticContact CG-CD2 3.81Å; Y26-Y30 HydrophobicContact CG-CD2 3.81Å; Y26-Y30 HydrophobicContact CG-CE2 4.29Å; Y26-Y30 AromaticContact CZ-CD2 3.56Å; Y26-Y30 AromaticContact CZ-CE2 3.96Å; Y26-Y30 WeakPolarHBondContact O-CD2 3.33Å; Y26-Y30 PolarHBondContact O-N 3.22Å; Y26-I32 WeakPolarHBondContact CD1-O 3.49Å; Y26-I32 HydrophobicContact CE1-CG2 4.04Å; Y26-L34 HydrophobicContact CD1-CB 3.71Å; Y26-L34 HydrophobicContact CD1-CD1 4.37Å; Y26-L34 HydrophobicContact CD2-CB 4.21Å; Y26-L34 HydrophobicContact CD2-CD1 3.91Å; Y26-L34 HydrophobicContact CD2-CG 4.43Å; Y26-L34 HydrophobicContact CE1-CB 4.25Å; Y26-L34 HydrophobicContact CE1-CD1 4.21Å; Y26-L34 HydrophobicContact CE2-CD1 3.73Å; Y26-L34 HydrophobicContact CG-CB 3.69Å; Y26-L34 HydrophobicContact CG-CD1 4.23Å; Y26-L34 HydrophobicContact CG-CG 4.4Å; Y26-D37 WeakPolarHBondContact CE1-OD2 3.47Å; Y26-D37 PolarHBondContact OH-OD2 3.4Å |
| 27 | K | 89.8 | Confident | 83.6 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 174.2 | -179.8 | 173.4 | -178.2 | -175 | 0 | 112.9 | D23 K24 K29 G31 I32 Y33 | D23-K27 PolarHBondContact O-N 2.93Å; K24-K27 PolarHBondContact O-N 3.3Å; K27-K29 PolarHBondContact O-N 2.85Å; K27-G31 VanDerWaalsContact O-CA 3.29Å; K27-G31 WeakPolarHBondContact O-CA 3.42Å; K27-G31 PolarHBondContact O-N 3.08Å; K27-I32 WeakPolarHBondContact CA-O 3.31Å; K27-Y33 HydrophobicContact CB-CD1 4.18Å; K27-Y33 HydrophobicContact CB-CE1 4.44Å; K27-Y33 HydrophobicContact CD-CD1 3.78Å; K27-Y33 HydrophobicContact CD-CD2 3.99Å; K27-Y33 HydrophobicContact CD-CE1 3.39Å; K27-Y33 HydrophobicContact CD-CE2 3.59Å; K27-Y33 HydrophobicContact CD-CG 4.08Å; K27-Y33 HydrophobicContact CG-CE1 4.5Å; K27-Y33 VanDerWaalsContact NZ-CE2 3.26Å; K27-Y33 PolarHBondContact NZ-OH 2.95Å |
| 28 | A | 89.9 | Confident | 85 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 74% | 0.744 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.7 | -34 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K24 V25 Y26 | K24-A28 PolarHBondContact O-N 2.75Å; V25-A28 PolarHBondContact O-N 3.4Å; Y26-A28 PolarHBondContact O-N 2.97Å |
| 29 | K | 91.3 | Very high | 85.8 | Confident | 148 Ų | 148 | 69.9 Ų | 69.9 | 64% | 0.643 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -84.5 | -42.3 | -177.6 | -173.1 | 172.8 | 179.2 | -176.9 | 0 | 113.9 | V25 Y26 K27 | V25-K29 WeakPolarHBondContact O-CB 3.3Å; V25-K29 PolarHBondContact O-N 3.07Å; Y26-K29 PolarHBondContact O-N 3.34Å; Y26-K29 VanDerWaalsContact O-N 3.15Å; K27-K29 PolarHBondContact O-N 2.85Å |
| 30 | Y | 91 | Very high | 86.5 | Confident | 128 Ų | 128 | 75 Ų | 75 | 50% | 0.502 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -111.2 | -7.3 | -170.2 | -59.2 | -69.6 | 0 | 0 | 0 | 114.1 | Y26 I32 | Y26-Y30 AromaticContact CD1-CD2 3.85Å; Y26-Y30 HydrophobicContact CD1-CD2 3.85Å; Y26-Y30 AromaticContact CD2-CD2 3.65Å; Y26-Y30 HydrophobicContact CD2-CD2 3.65Å; Y26-Y30 AromaticContact CD2-CE2 3.68Å; Y26-Y30 HydrophobicContact CD2-CE2 3.68Å; Y26-Y30 AromaticContact CE1-CD2 3.73Å; Y26-Y30 HydrophobicContact CE1-CD2 3.73Å; Y26-Y30 HydrophobicContact CE1-CG 4.3Å; Y26-Y30 AromaticContact CE2-CD2 3.52Å; Y26-Y30 HydrophobicContact CE2-CD2 3.52Å; Y26-Y30 AromaticContact CE2-CE2 3.49Å; Y26-Y30 HydrophobicContact CE2-CE2 3.49Å; Y26-Y30 VanDerWaalsContact CE2-CE2 3.49Å; Y26-Y30 AromaticContact CG-CD2 3.81Å; Y26-Y30 HydrophobicContact CG-CD2 3.81Å; Y26-Y30 HydrophobicContact CG-CE2 4.29Å; Y26-Y30 AromaticContact CZ-CD2 3.56Å; Y26-Y30 AromaticContact CZ-CE2 3.96Å; Y26-Y30 WeakPolarHBondContact O-CD2 3.33Å; Y26-Y30 PolarHBondContact O-N 3.22Å; Y30-I32 PolarHBondContact O-N 3.17Å |
| 31 | G | 90.7 | Very high | 87.4 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 76.5 | 0.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K27 | K27-G31 VanDerWaalsContact O-CA 3.29Å; K27-G31 WeakPolarHBondContact O-CA 3.42Å; K27-G31 PolarHBondContact O-N 3.08Å |
| 32 | I | 90 | Very high | 87.9 | Confident | 52 Ų | 52 | 80 Ų | 80 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -128.6 | 148.4 | 179.1 | -172.6 | 166.8 | 0 | 0 | 0 | 109.5 | Y26 K27 Y30 D36 D37 | Y26-I32 WeakPolarHBondContact CD1-O 3.49Å; Y26-I32 HydrophobicContact CE1-CG2 4.04Å; K27-I32 WeakPolarHBondContact CA-O 3.31Å; Y30-I32 PolarHBondContact O-N 3.17Å; I32-D36 HydrophobicContact CD1-CB 3.96Å; I32-D36 HydrophobicContact CG1-CB 3.82Å; I32-D37 VanDerWaalsContact CG2-OD2 3.31Å; I32-D37 WeakPolarHBondContact CG2-OD2 3.16Å |
| 33 | Y | 87.4 | Confident | 88.2 | Confident | 91 Ų | 91 | 84.9 Ų | 84.9 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | trans | -70.2 | 143.4 | 173.6 | -72.1 | -81.1 | 0 | 0 | 0 | 110.5 | D23 K27 S35 D36 D37 | D23-Y33 VanDerWaalsContact OD2-CD1 3.28Å; D23-Y33 WeakPolarHBondContact OD2-CD1 3.31Å; K27-Y33 HydrophobicContact CB-CD1 4.18Å; K27-Y33 HydrophobicContact CB-CE1 4.44Å; K27-Y33 HydrophobicContact CD-CD1 3.78Å; K27-Y33 HydrophobicContact CD-CD2 3.99Å; K27-Y33 HydrophobicContact CD-CE1 3.39Å; K27-Y33 HydrophobicContact CD-CE2 3.59Å; K27-Y33 HydrophobicContact CD-CG 4.08Å; K27-Y33 HydrophobicContact CG-CE1 4.5Å; K27-Y33 VanDerWaalsContact NZ-CE2 3.26Å; K27-Y33 PolarHBondContact NZ-OH 2.95Å; Y33-S35 PolarHBondContact O-N 2.76Å; Y33-D36 PolarHBondContact O-N 2.94Å; Y33-D37 PolarHBondContact O-N 2.89Å | ||
| 34 | L | 87.8 | Confident | 88.6 | Confident | 39 Ų | 39 | 90.5 Ų | 90.5 | 20% | 0.204 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.2 | -36.3 | 176.3 | 177.4 | 57 | 0 | 0 | 0 | 110.1 | I22 D23 Y26 D36 D37 V38 L54 | I22-L34 HydrophobicContact CG2-CD2 4.17Å; D23-L34 WeakPolarHBondContact OD1-CB 3.31Å; D23-L34 PolarHBondContact OD1-N 3.09Å; Y26-L34 HydrophobicContact CD1-CB 3.71Å; Y26-L34 HydrophobicContact CD1-CD1 4.37Å; Y26-L34 HydrophobicContact CD2-CB 4.21Å; Y26-L34 HydrophobicContact CD2-CD1 3.91Å; Y26-L34 HydrophobicContact CD2-CG 4.43Å; Y26-L34 HydrophobicContact CE1-CB 4.25Å; Y26-L34 HydrophobicContact CE1-CD1 4.21Å; Y26-L34 HydrophobicContact CE2-CD1 3.73Å; Y26-L34 HydrophobicContact CG-CB 3.69Å; Y26-L34 HydrophobicContact CG-CD1 4.23Å; Y26-L34 HydrophobicContact CG-CG 4.4Å; L34-D36 VanDerWaalsContact C-N 3.29Å; L34-D36 PolarHBondContact O-N 2.82Å; L34-D37 PolarHBondContact O-N 2.71Å; L34-V38 HydrophobicContact CD1-CG2 4.25Å; L34-V38 HydrophobicContact CG-CG2 4.32Å; L34-V38 VanDerWaalsContact O-CG2 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.29Å; L34-V38 PolarHBondContact O-N 3.48Å; L34-L54 HydrophobicContact CD2-CD1 4.49Å; L34-L54 HydrophobicContact CD2-CD2 3.82Å; L34-L54 HydrophobicContact CG-CD1 4.16Å; L34-L54 HydrophobicContact CG-CD2 4.32Å |
| 35 | S | 86.3 | Confident | 88.9 | Confident | 29 Ų | 29 | 92.4 Ų | 92.4 | 20% | 0.203 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.3 | -35 | 175.3 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | D23 Y33 K39 L51 | D23-S35 PolarHBondContact OD1-N 3.45Å; Y33-S35 PolarHBondContact O-N 2.76Å; S35-K39 WeakPolarHBondContact O-CG 3.44Å; S35-K39 PolarHBondContact O-N 3Å; S35-L51 WeakPolarHBondContact O-CD2 3.38Å |
| 36 | D | 88.6 | Confident | 88.8 | Confident | 72 Ų | 72 | 96.3 Ų | 96.3 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.2 | -39.6 | 176.9 | -68.5 | -35.2 | 0 | 0 | 0 | 111.1 | I32 Y33 L34 K39 R40 | I32-D36 HydrophobicContact CD1-CB 3.96Å; I32-D36 HydrophobicContact CG1-CB 3.82Å; Y33-D36 PolarHBondContact O-N 2.94Å; L34-D36 VanDerWaalsContact C-N 3.29Å; L34-D36 PolarHBondContact O-N 2.82Å; D36-K39 PolarHBondContact O-N 3.18Å; D36-R40 PolarHBondContact O-N 3.25Å |
| 37 | D | 91.1 | Very high | 88.7 | Confident | 10 Ų | 10 | 94 Ų | 94 | 5% | 0.053 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 175.3 | -93.1 | -24.7 | 0 | 0 | 0 | 112.6 | Y26 I32 Y33 L34 K39 R40 I41 | Y26-D37 WeakPolarHBondContact CE1-OD2 3.47Å; Y26-D37 PolarHBondContact OH-OD2 3.4Å; I32-D37 VanDerWaalsContact CG2-OD2 3.31Å; I32-D37 WeakPolarHBondContact CG2-OD2 3.16Å; Y33-D37 PolarHBondContact O-N 2.89Å; L34-D37 PolarHBondContact O-N 2.71Å; D37-K39 VanDerWaalsContact C-N 3.31Å; D37-K39 PolarHBondContact O-N 2.89Å; D37-R40 PolarHBondContact O-N 3.31Å; D37-R40 IonicContact OD1-CZ 3.25Å; D37-R40 VanDerWaalsContact OD1-CZ 3.25Å; D37-R40 IonicContact OD1-NE 3.21Å; D37-R40 PolarHBondContact OD1-NE 3.27Å; D37-R40 IonicContact OD1-NH2 2.66Å; D37-R40 PolarHBondContact OD1-NH2 3.48Å; D37-I41 HydrophobicContact CB-CD1 4.45Å; D37-I41 WeakPolarHBondContact O-CB 3.18Å; D37-I41 VanDerWaalsContact O-CG1 3.31Å; D37-I41 WeakPolarHBondContact O-CG1 3.34Å; D37-I41 PolarHBondContact O-N 2.91Å |
| 38 | V | 89 | Confident | 88.6 | Confident | 11 Ų | 11 | 94.6 Ų | 94.6 | 7% | 0.067 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 174.6 | 166.5 | 0 | 0 | 0 | 0 | 110.8 | L34 R40 I41 Y42 L50 L51 L54 | L34-V38 HydrophobicContact CD1-CG2 4.25Å; L34-V38 HydrophobicContact CG-CG2 4.32Å; L34-V38 VanDerWaalsContact O-CG2 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.29Å; L34-V38 PolarHBondContact O-N 3.48Å; V38-R40 PolarHBondContact O-N 3.12Å; V38-I41 PolarHBondContact O-N 2.95Å; V38-Y42 HydrophobicContact CB-CD2 4.49Å; V38-Y42 HydrophobicContact CG1-CD2 4.17Å; V38-Y42 WeakPolarHBondContact O-CB 3.47Å; V38-Y42 PolarHBondContact O-N 3.41Å; V38-L50 HydrophobicContact CG1-CB 3.63Å; V38-L50 HydrophobicContact CG1-CD1 4.08Å; V38-L51 HydrophobicContact CB-CD2 4.43Å; V38-L51 HydrophobicContact CG1-CD2 4.2Å; V38-L51 HydrophobicContact CG1-CG 4.04Å; V38-L54 HydrophobicContact CG2-CD1 4.07Å |
| 39 | K | 88 | Confident | 88.4 | Confident | 127 Ų | 127 | 92.8 Ų | 92.8 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.7 | -29.7 | 176.2 | -74.6 | 173.2 | -177 | 171.1 | 0 | 113.5 | S35 D36 D37 L51 | S35-K39 WeakPolarHBondContact O-CG 3.44Å; S35-K39 PolarHBondContact O-N 3Å; D36-K39 PolarHBondContact O-N 3.18Å; D37-K39 VanDerWaalsContact C-N 3.31Å; D37-K39 PolarHBondContact O-N 2.89Å; K39-L51 HydrophobicContact CD-CD1 4.36Å; K39-L51 HydrophobicContact CG-CD1 3.67Å; K39-L51 HydrophobicContact CG-CD2 4.18Å; K39-L51 HydrophobicContact CG-CG 4.45Å |
| 40 | R | 90.4 | Very high | 88.1 | Confident | 169 Ų | 169 | 88.6 Ų | 88.6 | 64% | 0.638 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -80.5 | -33.2 | -178.5 | -175.5 | 170.9 | 65 | 153.9 | 1 | 112.3 | D36 D37 V38 | D36-R40 PolarHBondContact O-N 3.25Å; D37-R40 PolarHBondContact O-N 3.31Å; D37-R40 IonicContact OD1-CZ 3.25Å; D37-R40 VanDerWaalsContact OD1-CZ 3.25Å; D37-R40 IonicContact OD1-NE 3.21Å; D37-R40 PolarHBondContact OD1-NE 3.27Å; D37-R40 IonicContact OD1-NH2 2.66Å; D37-R40 PolarHBondContact OD1-NH2 3.48Å; V38-R40 PolarHBondContact O-N 3.12Å |
| 41 | I | 90.8 | Very high | 87.8 | Confident | 96 Ų | 96 | 83.5 Ų | 83.5 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -95.7 | -40 | -171.7 | -63.4 | 168.6 | 0 | 0 | 0 | 111.6 | D37 V38 Y43 | D37-I41 HydrophobicContact CB-CD1 4.45Å; D37-I41 WeakPolarHBondContact O-CB 3.18Å; D37-I41 VanDerWaalsContact O-CG1 3.31Å; D37-I41 WeakPolarHBondContact O-CG1 3.34Å; D37-I41 PolarHBondContact O-N 2.91Å; V38-I41 PolarHBondContact O-N 2.95Å; I41-Y43 WeakPolarHBondContact O-CE2 3.48Å |
| 42 | Y | 88.5 | Confident | 87.5 | Confident | 113 Ų | 113 | 87.7 Ų | 87.7 | 44% | 0.443 | 41% | 0.409 | S | S | . | . | trans | -104.7 | 155.9 | -176.5 | -58.8 | -81.3 | 0 | 0 | 0 | 110.9 | V38 L50 | V38-Y42 HydrophobicContact CB-CD2 4.49Å; V38-Y42 HydrophobicContact CG1-CD2 4.17Å; V38-Y42 WeakPolarHBondContact O-CB 3.47Å; V38-Y42 PolarHBondContact O-N 3.41Å; Y42-L50 HydrophobicContact CD1-CD1 4.22Å; Y42-L50 HydrophobicContact CD2-CD1 3.6Å; Y42-L50 HydrophobicContact CE1-CD1 4.33Å; Y42-L50 HydrophobicContact CE2-CD1 3.72Å; Y42-L50 HydrophobicContact CG-CD1 3.86Å | ||
| 43 | Y | 86.9 | Confident | 87 | Confident | 163 Ų | 163 | 90.8 Ų | 90.8 | 64% | 0.639 | 43% | 0.426 | S | S | * | . | trans | -128.5 | 161.4 | -178.7 | -54.6 | -83.6 | 0 | 0 | 0 | 110.5 | I41 Y46 A47 | I41-Y43 WeakPolarHBondContact O-CE2 3.48Å; Y43-Y46 PolarHBondContact O-N 3.1Å; Y43-A47 PolarHBondContact O-N 3.21Å | ||
| 44 | D | 89.4 | Confident | 86.6 | Confident | 136 Ų | 136 | 87.3 Ų | 87.3 | 73% | 0.727 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | 51.9 | -137.6 | 173.1 | -52.7 | -44 | 0 | 0 | 0 | 113.4 | Y46 A47 D48 | D44-Y46 PolarHBondContact O-N 3.19Å; D44-Y46 VanDerWaalsContact O-N 3.15Å; D44-A47 PolarHBondContact O-N 3.34Å; D44-A47 VanDerWaalsContact O-N 3.14Å; D44-D48 PolarHBondContact O-N 3.16Å; D44-D48 VanDerWaalsContact O-N 3.14Å |
| 45 | E | 87.3 | Confident | 85.9 | Confident | 163 Ų | 163 | 92.7 Ų | 92.7 | 76% | 0.762 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.1 | -28.8 | -173.6 | -59.7 | -177.8 | 170.6 | 0 | 0 | 112.8 | A49 | E45-A49 VanDerWaalsContact O-CB 3.3Å; E45-A49 WeakPolarHBondContact O-CB 3.46Å; E45-A49 PolarHBondContact O-N 3.34Å |
| 46 | Y | 83.3 | Confident | 84.8 | Confident | 180 Ų | 180 | 98.8 Ų | 98.8 | 71% | 0.706 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.7 | -43.8 | 178.2 | -65.2 | -76.6 | 0 | 0 | 0 | 111.8 | Y43 D44 D48 A49 L50 | Y43-Y46 PolarHBondContact O-N 3.1Å; D44-Y46 PolarHBondContact O-N 3.19Å; D44-Y46 VanDerWaalsContact O-N 3.15Å; Y46-D48 VanDerWaalsContact C-N 3.32Å; Y46-A49 PolarHBondContact O-N 3.39Å; Y46-L50 WeakPolarHBondContact O-CG 3.12Å; Y46-L50 PolarHBondContact O-N 3.4Å; Y46-L50 VanDerWaalsContact O-N 3.11Å |
| 47 | A | 86.2 | Confident | 83.4 | Confident | 9 Ų | 9 | 103.1 Ų | 103.1 | 7% | 0.074 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y43 D44 A49 L50 L51 | Y43-A47 PolarHBondContact O-N 3.21Å; D44-A47 PolarHBondContact O-N 3.34Å; D44-A47 VanDerWaalsContact O-N 3.14Å; A47-A49 PolarHBondContact O-N 2.98Å; A47-L50 PolarHBondContact O-N 3.27Å; A47-L51 WeakPolarHBondContact O-CB 3.25Å; A47-L51 WeakPolarHBondContact O-CG 3.47Å; A47-L51 PolarHBondContact O-N 3.17Å |
| 48 | D | 86.2 | Confident | 81.6 | Confident | 95 Ų | 95 | 111.2 Ų | 111.2 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 179.9 | -80.9 | -14.3 | 0 | 0 | 0 | 112.8 | D44 Y46 L51 K52 | D44-D48 PolarHBondContact O-N 3.16Å; D44-D48 VanDerWaalsContact O-N 3.14Å; Y46-D48 VanDerWaalsContact C-N 3.32Å; D48-L51 PolarHBondContact O-N 3.15Å; D48-K52 WeakPolarHBondContact O-CB 3.23Å; D48-K52 VanDerWaalsContact O-CG 3.25Å; D48-K52 WeakPolarHBondContact O-CG 3.3Å; D48-K52 PolarHBondContact O-N 3.28Å |
| 49 | A | 86.2 | Confident | 79.9 | Confident | 52 Ų | 52 | 116.2 Ų | 116.2 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E45 Y46 A47 K52 L53 | E45-A49 VanDerWaalsContact O-CB 3.3Å; E45-A49 WeakPolarHBondContact O-CB 3.46Å; E45-A49 PolarHBondContact O-N 3.34Å; Y46-A49 PolarHBondContact O-N 3.39Å; A47-A49 PolarHBondContact O-N 2.98Å; A49-K52 PolarHBondContact O-N 3Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 2.88Å |
| 50 | L | 85.1 | Confident | 78 | Confident | 61 Ų | 61 | 113.5 Ų | 113.5 | 32% | 0.319 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.9 | -69.8 | 173.7 | 0 | 0 | 0 | 112 | V38 Y42 Y46 A47 K52 L53 L54 | V38-L50 HydrophobicContact CG1-CB 3.63Å; V38-L50 HydrophobicContact CG1-CD1 4.08Å; Y42-L50 HydrophobicContact CD1-CD1 4.22Å; Y42-L50 HydrophobicContact CD2-CD1 3.6Å; Y42-L50 HydrophobicContact CE1-CD1 4.33Å; Y42-L50 HydrophobicContact CE2-CD1 3.72Å; Y42-L50 HydrophobicContact CG-CD1 3.86Å; Y46-L50 WeakPolarHBondContact O-CG 3.12Å; Y46-L50 PolarHBondContact O-N 3.4Å; Y46-L50 VanDerWaalsContact O-N 3.11Å; A47-L50 PolarHBondContact O-N 3.27Å; L50-K52 VanDerWaalsContact C-N 3.33Å; L50-K52 PolarHBondContact O-N 2.67Å; L50-L53 PolarHBondContact O-N 3.08Å; L50-L54 WeakPolarHBondContact O-CG 3.35Å; L50-L54 PolarHBondContact O-N 3.14Å; L50-L54 VanDerWaalsContact O-N 3.12Å |
| 51 | L | 85.5 | Confident | 76 | Confident | 21 Ų | 21 | 111 Ų | 111 | 11% | 0.11 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 176.3 | -72.1 | 170.5 | 0 | 0 | 0 | 112.5 | S35 V38 K39 A47 D48 L53 L54 K55 | S35-L51 WeakPolarHBondContact O-CD2 3.38Å; V38-L51 HydrophobicContact CB-CD2 4.43Å; V38-L51 HydrophobicContact CG1-CD2 4.2Å; V38-L51 HydrophobicContact CG1-CG 4.04Å; K39-L51 HydrophobicContact CD-CD1 4.36Å; K39-L51 HydrophobicContact CG-CD1 3.67Å; K39-L51 HydrophobicContact CG-CD2 4.18Å; K39-L51 HydrophobicContact CG-CG 4.45Å; A47-L51 WeakPolarHBondContact O-CB 3.25Å; A47-L51 WeakPolarHBondContact O-CG 3.47Å; A47-L51 PolarHBondContact O-N 3.17Å; D48-L51 PolarHBondContact O-N 3.15Å; L51-L53 VanDerWaalsContact C-N 3.32Å; L51-L54 PolarHBondContact O-N 3.14Å; L51-K55 WeakPolarHBondContact O-CG 3.49Å; L51-K55 PolarHBondContact O-N 3.15Å |
| 52 | K | 83.9 | Confident | 74.2 | Confident | 152 Ų | 152 | 112.9 Ų | 112.9 | 66% | 0.661 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -38.3 | 174 | -78.5 | 171.4 | -177.8 | 173.9 | 0 | 111.8 | D48 A49 L50 L54 K55 | D48-K52 WeakPolarHBondContact O-CB 3.23Å; D48-K52 VanDerWaalsContact O-CG 3.25Å; D48-K52 WeakPolarHBondContact O-CG 3.3Å; D48-K52 PolarHBondContact O-N 3.28Å; A49-K52 PolarHBondContact O-N 3Å; L50-K52 VanDerWaalsContact C-N 3.33Å; L50-K52 PolarHBondContact O-N 2.67Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-K55 PolarHBondContact O-N 3.31Å |
| 53 | L | 79.9 | Confident | 72.4 | Confident | 118 Ų | 118 | 115.8 Ų | 115.8 | 62% | 0.618 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.2 | -36.6 | 174.9 | -67.1 | 172.1 | 0 | 0 | 0 | 112.2 | L19 A49 L50 L51 | L19-L53 HydrophobicContact CD2-CB 3.62Å; L19-L53 WeakPolarHBondContact CD2-O 3.43Å; A49-L53 WeakPolarHBondContact O-CG 3.44Å; A49-L53 PolarHBondContact O-N 2.88Å; L50-L53 PolarHBondContact O-N 3.08Å; L51-L53 VanDerWaalsContact C-N 3.32Å |
| 54 | L | 79.1 | Confident | 70.4 | Confident | 18 Ų | 18 | 115.2 Ų | 115.2 | 9% | 0.094 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -74.9 | -28.4 | 178.8 | -70.5 | 170.3 | 0 | 0 | 0 | 113.2 | L19 D23 L34 V38 L50 L51 K52 K56 | L19-L54 HydrophobicContact CD2-CD2 3.82Å; L19-L54 HydrophobicContact CD2-CG 4.2Å; L19-L54 HydrophobicContact CG-CD2 4Å; D23-L54 HydrophobicContact CB-CD2 4.48Å; L34-L54 HydrophobicContact CD2-CD1 4.49Å; L34-L54 HydrophobicContact CD2-CD2 3.82Å; L34-L54 HydrophobicContact CG-CD1 4.16Å; L34-L54 HydrophobicContact CG-CD2 4.32Å; V38-L54 HydrophobicContact CG2-CD1 4.07Å; L50-L54 WeakPolarHBondContact O-CG 3.35Å; L50-L54 PolarHBondContact O-N 3.14Å; L50-L54 VanDerWaalsContact O-N 3.12Å; L51-L54 PolarHBondContact O-N 3.14Å; K52-L54 VanDerWaalsContact C-N 3.34Å; L54-K56 PolarHBondContact O-N 2.94Å |
| 55 | K | 72.8 | Confident | 68.5 | Low | 152 Ų | 152 | 116.9 Ų | 116.9 | 66% | 0.661 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -68.9 | 119 | 172 | -75.7 | 176.6 | -176.5 | -178.3 | 0 | 107.4 | L51 K52 E57 | L51-K55 WeakPolarHBondContact O-CG 3.49Å; L51-K55 PolarHBondContact O-N 3.15Å; K52-K55 PolarHBondContact O-N 3.31Å; K55-E57 PolarHBondContact O-N 3.11Å |
| 56 | K | 63.3 | Low | 66.7 | Low | 156 Ų | 156 | 114 Ų | 114 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | trans | -48.2 | 105.2 | 171.2 | -174.7 | -178.1 | 179.5 | -171.8 | 0 | 107.9 | L54 E58 | L54-K56 PolarHBondContact O-N 2.94Å; K56-E58 PolarHBondContact O-N 3.38Å | ||
| 57 | E | 57.8 | Low | 65.5 | Low | 163 Ų | 163 | 112.5 Ų | 112.5 | 76% | 0.762 | 56% | 0.561 | S | S | * | * | trans | -60.5 | 121.3 | 164.9 | -149.8 | 170 | -171.7 | 0 | 0 | 104.1 | K55 I59 | K55-E57 PolarHBondContact O-N 3.11Å; E57-I59 PolarHBondContact O-N 3.18Å | ||
| 58 | E | 54.2 | Low | 63.8 | Low | 180 Ų | 180 | 117.6 Ų | 117.6 | 84% | 0.841 | 59% | 0.593 | S | S | * | * | trans | -62.1 | 86.8 | 163.4 | -80 | -174 | 155.5 | 0 | 0 | 105 | K56 P60 | K56-E58 PolarHBondContact O-N 3.38Å; E58-P60 WeakPolarHBondContact O-CD 3.23Å | ||
| 59 | I | 53.9 | Low | 62.3 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 60% | 0.595 | 61% | 0.609 | S | S | * | * | trans | -52.4 | 114 | 171.1 | -59.7 | 176.4 | 0 | 0 | 0 | 103.8 | E57 D61 Y63 | E57-I59 PolarHBondContact O-N 3.18Å; I59-D61 PolarHBondContact O-N 3.48Å; I59-Y63 HydrophobicContact CG2-CD2 3.66Å; I59-Y63 HydrophobicContact CG2-CG 4.07Å | ||
| 60 | P | 46.5 | Very low | 60.8 | Low | 70 Ų | 70 | 123.7 Ų | 123.7 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | trans | -54.5 | 136.5 | 174.4 | -20.8 | 31.9 | 0 | 0 | 0 | 106.5 | E58 I62 Y63 | E58-P60 WeakPolarHBondContact O-CD 3.23Å; P60-I62 HydrophobicContact CB-CB 4.4Å; P60-I62 HydrophobicContact CB-CD1 3.82Å; P60-I62 HydrophobicContact CB-CG1 3.85Å; P60-I62 PolarHBondContact O-N 3.37Å; P60-Y63 PolarHBondContact O-N 3.39Å; P60-Y63 VanDerWaalsContact O-N 3.15Å | ||
| 61 | D | 49.1 | Very low | 59.4 | Low | 117 Ų | 117 | 128.1 Ų | 128.1 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -47.9 | -14 | -176.1 | -132.4 | 9.2 | 0 | 0 | 0 | 114.4 | I59 Y63 Q64 | I59-D61 PolarHBondContact O-N 3.48Å; D61-Y63 PolarHBondContact O-N 3.48Å; D61-Q64 PolarHBondContact O-N 2.91Å; D61-Q64 VanDerWaalsContact O-N 3.08Å; D61-Q64 VanDerWaalsContact OD1-CD 3.27Å; D61-Q64 PolarHBondContact OD1-OE1 2.96Å; D61-Q64 VanDerWaalsContact OD1-OE1 3.09Å |
| 62 | I | 52.5 | Low | 58 | Low | 136 Ų | 136 | 131.9 Ų | 131.9 | 70% | 0.697 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -51.7 | -29.2 | 173.5 | -45.3 | 177.9 | 0 | 0 | 0 | 113.4 | P60 | P60-I62 HydrophobicContact CB-CB 4.4Å; P60-I62 HydrophobicContact CB-CD1 3.82Å; P60-I62 HydrophobicContact CB-CG1 3.85Å; P60-I62 PolarHBondContact O-N 3.37Å |
| 63 | Y | 50.6 | Low | 56.8 | Low | 173 Ų | 173 | 130.1 Ų | 130.1 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -93.6 | -2.9 | 178.5 | -65.2 | -82.8 | 0 | 0 | 0 | 114.9 | I59 P60 D61 H65 | I59-Y63 HydrophobicContact CG2-CD2 3.66Å; I59-Y63 HydrophobicContact CG2-CG 4.07Å; P60-Y63 PolarHBondContact O-N 3.39Å; P60-Y63 VanDerWaalsContact O-N 3.15Å; D61-Y63 PolarHBondContact O-N 3.48Å; Y63-H65 PolarHBondContact O-N 3Å |
| 64 | Q | 46.1 | Very low | 55.8 | Low | 151 Ų | 151 | 131.1 Ų | 131.1 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | -73.1 | -8 | 176.9 | -72.6 | -160.7 | -19.8 | 0 | 0 | 114 | D61 S66 | D61-Q64 PolarHBondContact O-N 2.91Å; D61-Q64 VanDerWaalsContact O-N 3.08Å; D61-Q64 VanDerWaalsContact OD1-CD 3.27Å; D61-Q64 PolarHBondContact OD1-OE1 2.96Å; D61-Q64 VanDerWaalsContact OD1-OE1 3.09Å; Q64-S66 PolarHBondContact O-N 2.91Å | ||
| 65 | H | 49.3 | Very low | 54.6 | Low | 171 Ų | 171 | 137.8 Ų | 137.8 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | trans | -82.7 | 65.9 | 166.6 | -69.7 | -54.2 | 0 | 0 | 0 | 110.9 | Y63 I67 | Y63-H65 PolarHBondContact O-N 3Å; H65-I67 PolarHBondContact O-N 3.33Å | ||
| 66 | S | 50 | Low | 53.6 | Low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | trans | -56.2 | 106.4 | 156.1 | -63.7 | 0 | 0 | 0 | 0 | 107.3 | Q64 | Q64-S66 PolarHBondContact O-N 2.91Š| ||
| 67 | I | 56.4 | Low | 52.9 | Low | 149 Ų | 149 | 136.7 Ų | 136.7 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | -51.2 | 127.4 | 166.3 | -59.8 | 178.8 | 0 | 0 | 0 | 105.8 | H65 L69 | H65-I67 PolarHBondContact O-N 3.33Å; I67-L69 PolarHBondContact O-N 3.37Å | ||
| 68 | P | 51 | Low | 53.1 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | trans | -60 | 111.3 | 173.8 | -11.8 | 24.7 | 0 | 0 | 0 | 106.7 | ||||
| 69 | L | 55.9 | Low | 52.5 | Low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -57.3 | 126 | 166.4 | -81.5 | 161.7 | 0 | 0 | 0 | 106.2 | I67 L71 | I67-L69 PolarHBondContact O-N 3.37Å; L69-L71 PolarHBondContact O-N 3.26Å | ||
| 70 | P | 53.2 | Low | 52.7 | Low | 116 Ų | 116 | 140.4 Ų | 140.4 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -62.9 | 114.7 | 176 | 25.8 | -31 | 0 | 0 | 0 | 107 | ||||
| 71 | L | 56 | Low | 53 | Low | 155 Ų | 155 | 143.9 Ų | 143.9 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 124.7 | 170.4 | -88.9 | 149.3 | 0 | 0 | 0 | 107.5 | L69 | L69-L71 PolarHBondContact O-N 3.26Š|
| 72 | P | 55.9 | Low | 53.2 | Low | 100 Ų | 100 | 145.3 Ų | 145.3 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 145.1 | 171.7 | 20.3 | -25.2 | 0 | 0 | 0 | 108.2 | L74 | P72-L74 PolarHBondContact O-N 3.3Š|
| 73 | P | 59.3 | Low | 53.2 | Low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.1 | -178.1 | -16.3 | 27.2 | 0 | 0 | 0 | 108.2 | L75 | P73-L75 VanDerWaalsContact C-N 3.28Å; P73-L75 PolarHBondContact O-N 3.25Å |
| 74 | L | 59.5 | Low | 53.4 | Low | 138 Ų | 138 | 144.2 Ų | 144.2 | 72% | 0.723 | 79% | 0.793 | S | S | * | * | trans | -63 | 100.7 | 165.4 | -68.2 | 177.3 | 0 | 0 | 0 | 105.2 | P72 H76 | P72-L74 PolarHBondContact O-N 3.3Å; L74-H76 PolarHBondContact O-N 3.31Å | ||
| 75 | L | 54 | Low | 53.9 | Low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -64.6 | 86.9 | 165.9 | -74.1 | 179.5 | 0 | 0 | 0 | 106.5 | P73 T77 | P73-L75 VanDerWaalsContact C-N 3.28Å; P73-L75 PolarHBondContact O-N 3.25Å; L75-T77 PolarHBondContact O-N 3.1Å | ||
| 76 | H | 50.8 | Low | 54.2 | Low | 150 Ų | 150 | 142 Ų | 142 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | -61.2 | 93.8 | 151.5 | -78.7 | -96.8 | 0 | 0 | 0 | 105.5 | L74 I78 | L74-H76 PolarHBondContact O-N 3.31Å; H76-I78 HydrophobicContact CB-CG1 4.41Å; H76-I78 PolarHBondContact O-N 3.14Å | ||
| 77 | T | 50 | Low | 54.5 | Low | 136 Ų | 136 | 144.8 Ų | 144.8 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -62.6 | 94.3 | 156.6 | -64.2 | 0 | 0 | 0 | 0 | 105.9 | L75 | L75-T77 PolarHBondContact O-N 3.1Š| ||
| 78 | I | 60.8 | Low | 54.3 | Low | 143 Ų | 143 | 144.5 Ų | 144.5 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -66.7 | 136.5 | 167.7 | -61.2 | 161.9 | 0 | 0 | 0 | 106.7 | H76 | H76-I78 HydrophobicContact CB-CG1 4.41Å; H76-I78 PolarHBondContact O-N 3.14Å | ||
| 79 | E | 42.2 | Very low | 54.6 | Low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -43.2 | 141.1 | 176.3 | -64.4 | 172.3 | 123.1 | 0 | 0 | 113.8 | ||||
| 80 | T | 57.6 | Low | 54.5 | Low | 213 Ų | 213 | 145.8 Ų | 145.8 | 100% | 1.307 | 81% | 0.811 | S | S | * | * | trans | -143.6 | 0 | 136.9 | -43 | 0 | 0 | 0 | 0 | 108 |
Retrieved 80 of 80 residues in 71 ms
(Link to these results)