| 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 | 76.1 | Confident | 84.2 | Confident | 77 Ų | 77 | 95.9 Ų | 95.9 | 38% | 0.379 | 61% | 0.61 | S | S | . | * | 0 | -48.9 | 0 | -72.5 | -171.6 | 160.8 | 0 | 0 | 111.9 | K3 A4 G5 V6 A8 I13 T14 V17 | M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.9Å; M1-A4 PolarHBondContact O-N 3.49Å; M1-G5 PolarHBondContact O-N 3.23Å; M1-V6 CarbonylContact C-O 3.38Å; M1-V6 HydrophobicContact CB-CB 4.39Å; M1-V6 WeakPolarHBondContact CB-O 3.42Å; M1-V6 PolarHBondContact O-N 2.94Å; M1-A8 HydrophobicContact CE-CB 4.42Å; M1-A8 HydrophobicContact SD-CB 3.75Å; M1-I13 HydrophobicContact CE-CG2 4.38Å; M1-T14 VanDerWaalsContact CE-CA 3.46Å; M1-T14 HydrophobicContact CE-CG2 4.28Å; M1-T14 HydrophobicContact SD-CG2 4.02Å; M1-T14 PolarHBondContact SD-OG1 3.09Å; M1-T14 VanDerWaalsContact SD-OG1 3.4Å; M1-V17 HydrophobicContact CE-CB 3.75Å; M1-V17 HydrophobicContact CE-CG1 4.22Å; M1-V17 HydrophobicContact CE-CG2 3.58Å | |||
| 2 | S | 81.5 | Confident | 85 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -56.9 | -38.5 | -179.7 | -37.2 | 0 | 0 | 0 | 0 | 114.8 | A4 G5 | S2-A4 PolarHBondContact O-N 2.81Å; S2-G5 PolarHBondContact O-N 2.94Å; S2-G5 VanDerWaalsContact O-N 3.08Å |
| 3 | K | 88.2 | Confident | 85.5 | Confident | 221 Ų | 221 | 101 Ų | 101 | 96% | 0.961 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -61.4 | -26.7 | 174.6 | -72.1 | -168.7 | 176.6 | -174 | 0 | 114 | M1 | M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.9Å |
| 4 | A | 87.4 | Confident | 85.9 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -94.3 | 6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 S2 V6 | M1-A4 PolarHBondContact O-N 3.49Å; S2-A4 PolarHBondContact O-N 2.81Å; A4-V6 HydrophobicContact CB-CG2 4.41Å; A4-V6 PolarHBondContact O-N 3.31Å |
| 5 | G | 86.7 | Confident | 86.5 | Confident | 71 Ų | 71 | 103.7 Ų | 103.7 | 73% | 0.732 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.4 | 8.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | M1 S2 | M1-G5 PolarHBondContact O-N 3.23Å; S2-G5 PolarHBondContact O-N 2.94Å; S2-G5 VanDerWaalsContact O-N 3.08Å |
| 6 | V | 81.2 | Confident | 87 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 44% | 0.442 | 59% | 0.59 | S | S | . | * | trans | -92.1 | 119.4 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | M1 A4 | M1-V6 CarbonylContact C-O 3.38Å; M1-V6 HydrophobicContact CB-CB 4.39Å; M1-V6 WeakPolarHBondContact CB-O 3.42Å; M1-V6 PolarHBondContact O-N 2.94Å; A4-V6 HydrophobicContact CB-CG2 4.41Å; A4-V6 PolarHBondContact O-N 3.31Å | ||
| 7 | S | 81 | Confident | 87.4 | Confident | 116 Ų | 116 | 102.5 Ų | 102.5 | 81% | 0.811 | 58% | 0.583 | S | S | * | * | trans | -106.2 | 91.4 | 169.2 | -169.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | A | 78.9 | Confident | 87.8 | Confident | 28 Ų | 28 | 99.3 Ų | 99.3 | 23% | 0.231 | 57% | 0.571 | C | S | . | * | trans | -89.2 | 114.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | M1 I13 | M1-A8 HydrophobicContact CE-CB 4.42Å; M1-A8 HydrophobicContact SD-CB 3.75Å; A8-I13 HydrophobicContact CB-CB 4.07Å; A8-I13 HydrophobicContact CB-CG2 3.94Å | ||
| 9 | T | 83.6 | Confident | 88.3 | Confident | 138 Ų | 138 | 98.9 Ų | 98.9 | 85% | 0.847 | 57% | 0.566 | S | S | * | * | trans | -74.3 | -29.9 | 177.3 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | P11 | T9-P11 WeakPolarHBondContact O-CD 3.46Š| ||
| 10 | D | 91 | Very high | 88.7 | Confident | 37 Ų | 37 | 97.6 Ų | 97.6 | 20% | 0.198 | 56% | 0.563 | C | S | . | * | S | Bend | trans | -86.3 | 117.1 | 179.4 | -171.9 | -19.1 | 0 | 0 | 0 | 111.1 | R12 I13 | D10-R12 PolarHBondContact O-N 2.86Å; D10-R12 VanDerWaalsContact O-N 3.09Å; D10-R12 WeakPolarHBondContact OD1-CB 3.29Å; D10-R12 VanDerWaalsContact OD1-CG 3.25Å; D10-R12 WeakPolarHBondContact OD1-CG 3.03Å; D10-R12 PolarHBondContact OD1-N 2.93Å; D10-R12 IonicContact OD1-NE 2.61Å; D10-R12 PolarHBondContact OD1-NE 3.13Å; D10-R12 VanDerWaalsContact OD1-NE 3.12Å; D10-R12 IonicContact OD2-CZ 2.81Å; D10-R12 IonicContact OD2-NE 2.79Å; D10-R12 PolarHBondContact OD2-NE 2.88Å; D10-R12 IonicContact OD2-NH2 3.62Å; D10-R12 PolarHBondContact OD2-NH2 3.36Å; D10-I13 HydrophobicContact CB-CD1 3.98Å; D10-I13 HydrophobicContact CB-CG1 4.1Å; D10-I13 WeakPolarHBondContact O-CB 3.38Å; D10-I13 PolarHBondContact O-N 3.11Å |
| 11 | P | 90.6 | Very high | 89 | Confident | 99 Ų | 99 | 95.3 Ų | 95.3 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.6 | -21.3 | 178.4 | 25.7 | -35.4 | 0 | 0 | 0 | 113.4 | T9 I13 T14 R15 | T9-P11 WeakPolarHBondContact O-CD 3.46Å; P11-I13 VanDerWaalsContact C-N 3.31Å; P11-I13 PolarHBondContact O-N 3.47Å; P11-T14 PolarHBondContact O-N 3.36Å; P11-R15 PolarHBondContact O-N 2.87Å |
| 12 | R | 93.6 | Very high | 90 | Very high | 175 Ų | 175 | 97.7 Ų | 97.7 | 66% | 0.66 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65 | -35.2 | 175.8 | -61.5 | 177.6 | -67.4 | -176.7 | 0.7 | 111.7 | D10 R15 L16 | D10-R12 PolarHBondContact O-N 2.86Å; D10-R12 VanDerWaalsContact O-N 3.09Å; D10-R12 WeakPolarHBondContact OD1-CB 3.29Å; D10-R12 VanDerWaalsContact OD1-CG 3.25Å; D10-R12 WeakPolarHBondContact OD1-CG 3.03Å; D10-R12 PolarHBondContact OD1-N 2.93Å; D10-R12 IonicContact OD1-NE 2.61Å; D10-R12 PolarHBondContact OD1-NE 3.13Å; D10-R12 VanDerWaalsContact OD1-NE 3.12Å; D10-R12 IonicContact OD2-CZ 2.81Å; D10-R12 IonicContact OD2-NE 2.79Å; D10-R12 PolarHBondContact OD2-NE 2.88Å; D10-R12 IonicContact OD2-NH2 3.62Å; D10-R12 PolarHBondContact OD2-NH2 3.36Å; R12-R15 PolarHBondContact O-N 3.45Å; R12-L16 WeakPolarHBondContact O-CB 3.34Å; R12-L16 PolarHBondContact O-N 2.83Å |
| 13 | I | 92 | Very high | 90.8 | Very high | 83 Ų | 83 | 98.4 Ų | 98.4 | 43% | 0.426 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.1 | -43.3 | 176.7 | -60.3 | 173.4 | 0 | 0 | 0 | 109.6 | M1 A8 D10 P11 R15 L16 V17 | M1-I13 HydrophobicContact CE-CG2 4.38Å; A8-I13 HydrophobicContact CB-CB 4.07Å; A8-I13 HydrophobicContact CB-CG2 3.94Å; D10-I13 HydrophobicContact CB-CD1 3.98Å; D10-I13 HydrophobicContact CB-CG1 4.1Å; D10-I13 WeakPolarHBondContact O-CB 3.38Å; D10-I13 PolarHBondContact O-N 3.11Å; P11-I13 VanDerWaalsContact C-N 3.31Å; P11-I13 PolarHBondContact O-N 3.47Å; I13-R15 VanDerWaalsContact C-N 3.32Å; I13-R15 PolarHBondContact O-N 2.84Å; I13-L16 PolarHBondContact O-N 3.25Å; I13-V17 WeakPolarHBondContact O-CG2 3.49Å; I13-V17 PolarHBondContact O-N 3.39Å |
| 14 | T | 91.4 | Very high | 91.1 | Very high | 64 Ų | 64 | 92.4 Ų | 92.4 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 174.5 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | M1 P11 V17 A18 | M1-T14 VanDerWaalsContact CE-CA 3.46Å; M1-T14 HydrophobicContact CE-CG2 4.28Å; M1-T14 HydrophobicContact SD-CG2 4.02Å; M1-T14 PolarHBondContact SD-OG1 3.09Å; M1-T14 VanDerWaalsContact SD-OG1 3.4Å; P11-T14 PolarHBondContact O-N 3.36Å; T14-V17 PolarHBondContact O-N 3.25Å; T14-A18 WeakPolarHBondContact O-CB 3.3Å; T14-A18 PolarHBondContact O-N 3.48Å |
| 15 | R | 94.5 | Very high | 91.5 | Very high | 179 Ų | 179 | 93.2 Ų | 93.2 | 68% | 0.675 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 176.4 | -168.7 | 170 | 73.9 | 170.5 | 4.3 | 112.3 | P11 R12 I13 A18 L19 | P11-R15 PolarHBondContact O-N 2.87Å; R12-R15 PolarHBondContact O-N 3.45Å; I13-R15 VanDerWaalsContact C-N 3.32Å; I13-R15 PolarHBondContact O-N 2.84Å; R15-A18 PolarHBondContact O-N 3.33Å; R15-L19 HydrophobicContact CG-CD1 4.35Å; R15-L19 WeakPolarHBondContact O-CG 3.45Å; R15-L19 PolarHBondContact O-N 2.82Å |
| 16 | L | 94.4 | Very high | 92 | Very high | 109 Ų | 109 | 92.4 Ų | 92.4 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -47.8 | 177.7 | -179.5 | 63.9 | 0 | 0 | 0 | 111.4 | R12 I13 A18 L19 S20 | R12-L16 WeakPolarHBondContact O-CB 3.34Å; R12-L16 PolarHBondContact O-N 2.83Å; I13-L16 PolarHBondContact O-N 3.25Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 2.87Å; L16-L19 PolarHBondContact O-N 2.96Å; L16-S20 PolarHBondContact O-N 2.91Å; L16-S20 PolarHBondContact O-OG 3.42Å |
| 17 | V | 93.7 | Very high | 92.7 | Very high | 78 Ų | 78 | 91 Ų | 91 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 177.1 | 174 | 0 | 0 | 0 | 0 | 111.2 | M1 I13 T14 S20 A21 | M1-V17 HydrophobicContact CE-CB 3.75Å; M1-V17 HydrophobicContact CE-CG1 4.22Å; M1-V17 HydrophobicContact CE-CG2 3.58Å; I13-V17 WeakPolarHBondContact O-CG2 3.49Å; I13-V17 PolarHBondContact O-N 3.39Å; T14-V17 PolarHBondContact O-N 3.25Å; V17-S20 PolarHBondContact O-N 3.49Å; V17-A21 PolarHBondContact O-N 3.05Å |
| 18 | A | 94.4 | Very high | 93.3 | Very high | 45 Ų | 45 | 86.3 Ų | 86.3 | 37% | 0.372 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T14 R15 L16 A21 Q22 | T14-A18 WeakPolarHBondContact O-CB 3.3Å; T14-A18 PolarHBondContact O-N 3.48Å; R15-A18 PolarHBondContact O-N 3.33Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 2.87Å; A18-A21 PolarHBondContact O-N 3.43Å; A18-Q22 VanDerWaalsContact O-CG 3.31Å; A18-Q22 WeakPolarHBondContact O-CG 3.25Å; A18-Q22 PolarHBondContact O-N 3.23Å |
| 19 | L | 97.1 | Very high | 94 | Very high | 92 Ų | 92 | 88.9 Ų | 88.9 | 48% | 0.482 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 176.2 | -73.8 | 173.7 | 0 | 0 | 0 | 111.9 | R15 L16 A21 Q22 K23 | R15-L19 HydrophobicContact CG-CD1 4.35Å; R15-L19 WeakPolarHBondContact O-CG 3.45Å; R15-L19 PolarHBondContact O-N 2.82Å; L16-L19 PolarHBondContact O-N 2.96Å; L19-A21 PolarHBondContact O-N 3.34Å; L19-Q22 PolarHBondContact O-N 2.88Å; L19-K23 WeakPolarHBondContact O-CB 3.4Å; L19-K23 PolarHBondContact O-N 2.83Å |
| 20 | S | 96.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 86.8 Ų | 86.8 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 176.2 | -62.1 | 0 | 0 | 0 | 0 | 112 | L16 V17 K23 F24 | L16-S20 PolarHBondContact O-N 2.91Å; L16-S20 PolarHBondContact O-OG 3.42Å; V17-S20 PolarHBondContact O-N 3.49Å; S20-K23 PolarHBondContact O-N 3.2Å; S20-F24 WeakPolarHBondContact O-CB 3.24Å; S20-F24 PolarHBondContact O-N 3.27Å |
| 21 | A | 96.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 87.4 Ų | 87.4 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V17 A18 L19 F24 I25 | V17-A21 PolarHBondContact O-N 3.05Å; A18-A21 PolarHBondContact O-N 3.43Å; L19-A21 PolarHBondContact O-N 3.34Å; A21-F24 PolarHBondContact O-N 3.3Å; A21-I25 WeakPolarHBondContact O-CG1 3.4Å; A21-I25 PolarHBondContact O-N 2.79Å |
| 22 | Q | 96.9 | Very high | 94.7 | Very high | 126 Ų | 126 | 82.8 Ų | 82.8 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 174.5 | -74.8 | 174 | -8.3 | 0 | 0 | 111.7 | A18 L19 F24 I25 A26 | A18-Q22 VanDerWaalsContact O-CG 3.31Å; A18-Q22 WeakPolarHBondContact O-CG 3.25Å; A18-Q22 PolarHBondContact O-N 3.23Å; L19-Q22 PolarHBondContact O-N 2.88Å; Q22-F24 PolarHBondContact O-N 3.2Å; Q22-I25 PolarHBondContact O-N 2.92Å; Q22-A26 VanDerWaalsContact O-CB 3.31Å; Q22-A26 WeakPolarHBondContact O-CB 3.31Å; Q22-A26 PolarHBondContact O-N 2.87Å |
| 23 | K | 97.2 | Very high | 94.6 | Very high | 129 Ų | 129 | 78.5 Ų | 78.5 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 176.8 | -172.6 | -93.4 | -179.8 | -174.1 | 0 | 111.2 | L19 S20 I25 A26 D27 | L19-K23 WeakPolarHBondContact O-CB 3.4Å; L19-K23 PolarHBondContact O-N 2.83Å; S20-K23 PolarHBondContact O-N 3.2Å; K23-I25 PolarHBondContact O-N 3.09Å; K23-A26 PolarHBondContact O-N 3.37Å; K23-D27 WeakPolarHBondContact CD-OD2 3.32Å; K23-D27 WeakPolarHBondContact CE-OD2 3.49Å; K23-D27 IonicContact NZ-OD1 3.12Å; K23-D27 IonicContact NZ-OD2 2.85Å; K23-D27 PolarHBondContact NZ-OD2 2.92Å; K23-D27 VanDerWaalsContact O-CG 3.24Å; K23-D27 PolarHBondContact O-N 2.88Å |
| 24 | F | 95.2 | Very high | 94.6 | Very high | 95 Ų | 95 | 80.4 Ų | 80.4 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 177.4 | 179.9 | -107.3 | 0 | 0 | 0 | 112.4 | S20 A21 Q22 D27 I28 Y69 | S20-F24 WeakPolarHBondContact O-CB 3.24Å; S20-F24 PolarHBondContact O-N 3.27Å; A21-F24 PolarHBondContact O-N 3.3Å; Q22-F24 PolarHBondContact O-N 3.2Å; F24-D27 PolarHBondContact O-N 2.94Å; F24-I28 HydrophobicContact CD1-CD1 4.07Å; F24-I28 HydrophobicContact CE1-CD1 3.55Å; F24-I28 HydrophobicContact CE2-CD1 4.15Å; F24-I28 HydrophobicContact CZ-CD1 3.61Å; F24-I28 WeakPolarHBondContact O-CG1 3.31Å; F24-I28 PolarHBondContact O-N 3.02Å; F24-Y69 AromaticContact CE2-CD1 3.93Å; F24-Y69 HydrophobicContact CE2-CD1 3.93Å; F24-Y69 HydrophobicContact CE2-CE1 4.22Å; F24-Y69 HydrophobicContact CZ-CD1 4.42Å |
| 25 | I | 95.4 | Very high | 94.6 | Very high | 99 Ų | 99 | 79.9 Ų | 79.9 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 176.5 | -65.4 | 167.8 | 0 | 0 | 0 | 110.9 | A21 Q22 K23 D27 I28 L29 | A21-I25 WeakPolarHBondContact O-CG1 3.4Å; A21-I25 PolarHBondContact O-N 2.79Å; Q22-I25 PolarHBondContact O-N 2.92Å; K23-I25 PolarHBondContact O-N 3.09Å; I25-D27 PolarHBondContact O-N 3.1Å; I25-I28 PolarHBondContact O-N 3.47Å; I25-L29 HydrophobicContact CG2-CD1 3.91Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.31Å; I25-L29 PolarHBondContact O-N 3.22Å |
| 26 | A | 96.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 71.5 Ų | 71.5 | 44% | 0.438 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q22 K23 L29 L30 | Q22-A26 VanDerWaalsContact O-CB 3.31Å; Q22-A26 WeakPolarHBondContact O-CB 3.31Å; Q22-A26 PolarHBondContact O-N 2.87Å; K23-A26 PolarHBondContact O-N 3.37Å; A26-L29 PolarHBondContact O-N 2.9Å; A26-L30 WeakPolarHBondContact O-CB 3.44Å; A26-L30 PolarHBondContact O-N 3.19Å |
| 27 | D | 96.3 | Very high | 94.1 | Very high | 45 Ų | 45 | 73.1 Ų | 73.1 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.7 | -49 | 176.6 | -64.9 | -17.8 | 0 | 0 | 0 | 111.1 | K23 F24 I25 L29 L30 D31 | K23-D27 WeakPolarHBondContact CD-OD2 3.32Å; K23-D27 WeakPolarHBondContact CE-OD2 3.49Å; K23-D27 IonicContact NZ-OD1 3.12Å; K23-D27 IonicContact NZ-OD2 2.85Å; K23-D27 PolarHBondContact NZ-OD2 2.92Å; K23-D27 VanDerWaalsContact O-CG 3.24Å; K23-D27 PolarHBondContact O-N 2.88Å; F24-D27 PolarHBondContact O-N 2.94Å; I25-D27 PolarHBondContact O-N 3.1Å; D27-L29 VanDerWaalsContact C-N 3.27Å; D27-L29 PolarHBondContact O-N 3.29Å; D27-L30 WeakPolarHBondContact O-CB 3.39Å; D27-L30 PolarHBondContact O-N 2.85Å; D27-L30 VanDerWaalsContact O-N 3.1Å; D27-D31 PolarHBondContact O-N 3.24Å |
| 28 | I | 95 | Very high | 93.8 | Very high | 16 Ų | 16 | 74 Ų | 74 | 8% | 0.082 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58 | -41.8 | 177.3 | -66.9 | 169.5 | 0 | 0 | 0 | 111 | F24 I25 A32 L62 V65 L66 Y69 | F24-I28 HydrophobicContact CD1-CD1 4.07Å; F24-I28 HydrophobicContact CE1-CD1 3.55Å; F24-I28 HydrophobicContact CE2-CD1 4.15Å; F24-I28 HydrophobicContact CZ-CD1 3.61Å; F24-I28 WeakPolarHBondContact O-CG1 3.31Å; F24-I28 PolarHBondContact O-N 3.02Å; I25-I28 PolarHBondContact O-N 3.47Å; I28-A32 VanDerWaalsContact O-CB 3.3Å; I28-A32 WeakPolarHBondContact O-CB 3.34Å; I28-A32 PolarHBondContact O-N 2.91Å; I28-L62 HydrophobicContact CG2-CD1 4.06Å; I28-V65 HydrophobicContact CG2-CG1 4.2Å; I28-L66 HydrophobicContact CD1-CD2 4.32Å; I28-L66 HydrophobicContact CG2-CD2 4.01Å; I28-Y69 HydrophobicContact CG1-CD1 4.29Å; I28-Y69 HydrophobicContact CG1-CD2 4.06Å; I28-Y69 HydrophobicContact CG1-CE1 4.02Å; I28-Y69 HydrophobicContact CG1-CE2 3.82Å; I28-Y69 HydrophobicContact CG1-CG 4.3Å |
| 29 | L | 93.3 | Very high | 93.5 | Very high | 83 Ų | 83 | 76.2 Ų | 76.2 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 178.7 | -71.5 | 176.1 | 0 | 0 | 0 | 112.4 | I25 A26 D27 M33 L57 | I25-L29 HydrophobicContact CG2-CD1 3.91Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.31Å; I25-L29 PolarHBondContact O-N 3.22Å; A26-L29 PolarHBondContact O-N 2.9Å; D27-L29 VanDerWaalsContact C-N 3.27Å; D27-L29 PolarHBondContact O-N 3.29Å; L29-M33 VanDerWaalsContact O-CB 3.29Å; L29-M33 WeakPolarHBondContact O-CB 3.33Å; L29-M33 PolarHBondContact O-N 3.3Å; L29-L57 HydrophobicContact CD2-CD2 4.09Å |
| 30 | L | 93.7 | Very high | 92.9 | Very high | 94 Ų | 94 | 74.4 Ų | 74.4 | 49% | 0.492 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 175.3 | -178.7 | 62.3 | 0 | 0 | 0 | 110.6 | A26 D27 M33 Q34 | A26-L30 WeakPolarHBondContact O-CB 3.44Å; A26-L30 PolarHBondContact O-N 3.19Å; D27-L30 WeakPolarHBondContact O-CB 3.39Å; D27-L30 PolarHBondContact O-N 2.85Å; D27-L30 VanDerWaalsContact O-N 3.1Å; L30-M33 HydrophobicContact CD1-CE 3.75Å; L30-M33 PolarHBondContact O-N 2.85Å; L30-Q34 WeakPolarHBondContact O-CB 3.4Å; L30-Q34 PolarHBondContact O-N 3.28Å |
| 31 | D | 94 | Very high | 92.1 | Very high | 49 Ų | 49 | 73.2 Ų | 73.2 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.6 | -65.5 | -23.2 | 0 | 0 | 0 | 110.8 | D27 M33 Q34 H35 V65 Y69 | D27-D31 PolarHBondContact O-N 3.24Å; D31-M33 PolarHBondContact O-N 3.36Å; D31-Q34 PolarHBondContact O-N 3.49Å; D31-H35 WeakPolarHBondContact O-CB 3.43Å; D31-H35 PolarHBondContact O-N 2.61Å; D31-V65 HydrophobicContact CB-CG1 3.73Å; D31-V65 HydrophobicContact CB-CG2 4.42Å; D31-Y69 WeakPolarHBondContact OD2-CE2 3.4Å; D31-Y69 PolarHBondContact OD2-OH 3.25Å |
| 32 | A | 92.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I28 H35 A36 L57 I61 V65 | I28-A32 VanDerWaalsContact O-CB 3.3Å; I28-A32 WeakPolarHBondContact O-CB 3.34Å; I28-A32 PolarHBondContact O-N 2.91Å; A32-H35 PolarHBondContact O-N 2.92Å; A32-A36 WeakPolarHBondContact O-CB 3.36Å; A32-A36 PolarHBondContact O-N 3.39Å; A32-L57 HydrophobicContact CB-CD1 3.96Å; A32-I61 HydrophobicContact CB-CG2 3.95Å; A32-I61 WeakPolarHBondContact O-CG2 3.49Å; A32-V65 HydrophobicContact CB-CG2 4.4Å |
| 33 | M | 91.6 | Very high | 90.4 | Very high | 85 Ų | 85 | 72.5 Ų | 72.5 | 42% | 0.419 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 176.7 | -176 | -179.8 | 71.5 | 0 | 0 | 111.7 | L29 L30 D31 A36 K37 Y55 | L29-M33 VanDerWaalsContact O-CB 3.29Å; L29-M33 WeakPolarHBondContact O-CB 3.33Å; L29-M33 PolarHBondContact O-N 3.3Å; L30-M33 HydrophobicContact CD1-CE 3.75Å; L30-M33 PolarHBondContact O-N 2.85Å; D31-M33 PolarHBondContact O-N 3.36Å; M33-A36 PolarHBondContact O-N 3.5Å; M33-K37 WeakPolarHBondContact O-CB 3.44Å; M33-K37 PolarHBondContact O-N 2.93Å; M33-Y55 HydrophobicContact CG-CD1 4.1Å; M33-Y55 HydrophobicContact CG-CD2 4.18Å; M33-Y55 HydrophobicContact CG-CE1 4.09Å; M33-Y55 HydrophobicContact CG-CE2 4.18Å; M33-Y55 HydrophobicContact CG-CG 4.14Å; M33-Y55 HydrophobicContact SD-CD2 4.29Å; M33-Y55 HydrophobicContact SD-CE2 4.22Å |
| 34 | Q | 91.2 | Very high | 89.6 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 174.7 | 180 | 167.3 | -20.4 | 0 | 0 | 111.1 | L30 D31 K37 S38 | L30-Q34 WeakPolarHBondContact O-CB 3.4Å; L30-Q34 PolarHBondContact O-N 3.28Å; D31-Q34 PolarHBondContact O-N 3.49Å; Q34-K37 WeakPolarHBondContact O-CB 3.41Å; Q34-K37 PolarHBondContact O-N 3.49Å; Q34-S38 PolarHBondContact O-N 3.3Å; Q34-S38 PolarHBondContact O-OG 2.93Å; Q34-S38 VanDerWaalsContact O-OG 3.09Å |
| 35 | H | 91 | Very high | 88.7 | Confident | 53 Ų | 53 | 68.5 Ų | 68.5 | 25% | 0.245 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 176.7 | -160.2 | -99.8 | 0 | 0 | 0 | 111.7 | D31 A32 K37 S38 K39 I61 P64 V65 | D31-H35 WeakPolarHBondContact O-CB 3.43Å; D31-H35 PolarHBondContact O-N 2.61Å; A32-H35 PolarHBondContact O-N 2.92Å; H35-K37 PolarHBondContact O-N 3.42Å; H35-S38 PolarHBondContact O-N 3.42Å; H35-K39 VanDerWaalsContact CE1-CE 3.45Å; H35-K39 WeakPolarHBondContact CE1-CE 3.21Å; H35-K39 WeakPolarHBondContact O-CB 3.3Å; H35-K39 PolarHBondContact O-N 3.33Å; H35-I61 HydrophobicContact CB-CG2 4.16Å; H35-P64 VanDerWaalsContact CE1-CG 3.49Å; H35-P64 WeakPolarHBondContact CE1-CG 2.95Å; H35-V65 HydrophobicContact CB-CG2 4.14Å |
| 36 | A | 90.6 | Very high | 87.6 | Confident | 3 Ų | 3 | 72 Ų | 72 | 3% | 0.025 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | A32 M33 K39 G40 I41 Y55 I61 | A32-A36 WeakPolarHBondContact O-CB 3.36Å; A32-A36 PolarHBondContact O-N 3.39Å; M33-A36 PolarHBondContact O-N 3.5Å; A36-K39 PolarHBondContact O-N 3.49Å; A36-G40 PolarHBondContact O-N 3.04Å; A36-G40 VanDerWaalsContact O-N 3.11Å; A36-I41 PolarHBondContact O-N 3.4Å; A36-Y55 HydrophobicContact CB-CD1 4.08Å; A36-I61 HydrophobicContact CB-CD1 3.48Å; A36-I61 VanDerWaalsContact CB-CD1 3.48Å; A36-I61 HydrophobicContact CB-CG1 4.16Å; A36-I61 HydrophobicContact CB-CG2 4.17Å |
| 37 | K | 88.8 | Confident | 86.4 | Confident | 143 Ų | 143 | 77 Ų | 77 | 62% | 0.622 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.7 | -45.8 | 176.2 | -173.2 | -177.3 | 178.4 | -177.1 | 0 | 111.3 | M33 Q34 H35 K39 G40 Y55 | M33-K37 WeakPolarHBondContact O-CB 3.44Å; M33-K37 PolarHBondContact O-N 2.93Å; Q34-K37 WeakPolarHBondContact O-CB 3.41Å; Q34-K37 PolarHBondContact O-N 3.49Å; H35-K37 PolarHBondContact O-N 3.42Å; K37-K39 VanDerWaalsContact C-N 3.32Å; K37-K39 PolarHBondContact O-N 3.45Å; K37-G40 PolarHBondContact O-N 2.64Å; K37-G40 VanDerWaalsContact O-N 3.13Å; K37-Y55 HydrophobicContact CB-CE1 4.18Å |
| 38 | S | 87.5 | Confident | 85.4 | Confident | 97 Ų | 97 | 78.5 Ų | 78.5 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.6 | -35.2 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | Q34 H35 G40 | Q34-S38 PolarHBondContact O-N 3.3Å; Q34-S38 PolarHBondContact O-OG 2.93Å; Q34-S38 VanDerWaalsContact O-OG 3.09Å; H35-S38 PolarHBondContact O-N 3.42Å; S38-G40 VanDerWaalsContact C-N 3.31Å |
| 39 | K | 87 | Confident | 84.5 | Confident | 92 Ų | 92 | 84.1 Ų | 84.1 | 40% | 0.4 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -5.8 | 174.8 | -73.7 | -171.3 | 163.8 | -170.9 | 0 | 114.3 | H35 A36 K37 I41 E60 | H35-K39 VanDerWaalsContact CE1-CE 3.45Å; H35-K39 WeakPolarHBondContact CE1-CE 3.21Å; H35-K39 WeakPolarHBondContact O-CB 3.3Å; H35-K39 PolarHBondContact O-N 3.33Å; A36-K39 PolarHBondContact O-N 3.49Å; K37-K39 VanDerWaalsContact C-N 3.32Å; K37-K39 PolarHBondContact O-N 3.45Å; K39-I41 HydrophobicContact CB-CD1 3.66Å; K39-I41 HydrophobicContact CB-CG1 3.75Å; K39-I41 HydrophobicContact CD-CD1 3.69Å; K39-I41 HydrophobicContact CG-CD1 4.35Å; K39-I41 PolarHBondContact O-N 3.27Å; K39-E60 PolarHBondContact NZ-O 3.07Å; K39-E60 IonicContact NZ-OE1 3.62Å; K39-E60 PolarHBondContact NZ-OE1 2.99Å |
| 40 | G | 84.1 | Confident | 83.7 | Confident | 53 Ų | 53 | 84 Ų | 84 | 55% | 0.546 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 17 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A36 K37 S38 C42 | A36-G40 PolarHBondContact O-N 3.04Å; A36-G40 VanDerWaalsContact O-N 3.11Å; K37-G40 PolarHBondContact O-N 2.64Å; K37-G40 VanDerWaalsContact O-N 3.13Å; S38-G40 VanDerWaalsContact C-N 3.31Å; G40-C42 PolarHBondContact O-N 3.42Å |
| 41 | I | 81.2 | Confident | 83 | Confident | 47 Ų | 47 | 86.8 Ų | 86.8 | 24% | 0.241 | 48% | 0.477 | C | S | . | . | trans | -83.2 | 62 | 177.6 | -52.3 | 167.1 | 0 | 0 | 0 | 108.5 | A36 K39 I61 | A36-I41 PolarHBondContact O-N 3.4Å; K39-I41 HydrophobicContact CB-CD1 3.66Å; K39-I41 HydrophobicContact CB-CG1 3.75Å; K39-I41 HydrophobicContact CD-CD1 3.69Å; K39-I41 HydrophobicContact CG-CD1 4.35Å; K39-I41 PolarHBondContact O-N 3.27Å; I41-I61 HydrophobicContact CB-CD1 3.96Å; I41-I61 HydrophobicContact CD1-CD1 3.79Å; I41-I61 HydrophobicContact CD1-CG1 3.65Å; I41-I61 HydrophobicContact CG1-CD1 4.49Å; I41-I61 HydrophobicContact CG2-CD1 3.8Å | ||
| 42 | C | 78.5 | Confident | 82.4 | Confident | 37 Ų | 37 | 88.4 Ų | 88.4 | 25% | 0.25 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.2 | 172.6 | 68.8 | 0 | 0 | 0 | 0 | 109 | G40 V53 Y55 | G40-C42 PolarHBondContact O-N 3.42Å; C42-V53 HydrophobicContact CB-CG1 3.79Å; C42-Y55 HydrophobicContact CB-CD1 3.99Å; C42-Y55 HydrophobicContact CB-CE1 3.8Å |
| 43 | Q | 78.9 | Confident | 81.9 | Confident | 124 Ų | 124 | 91.3 Ų | 91.3 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 105.9 | 174.9 | -69.2 | -177.8 | -13.7 | 0 | 0 | 107.8 | S45 R54 | Q43-S45 PolarHBondContact O-N 3.24Å; Q43-R54 HydrophobicContact CB-CB 4.34Å; Q43-R54 PolarHBondContact N-O 3.26Å; Q43-R54 PolarHBondContact O-N 2.84Å |
| 44 | I | 78.8 | Confident | 81.6 | Confident | 112 Ų | 112 | 92 Ų | 92 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 105.2 | 172 | -55.2 | 177.7 | 0 | 0 | 0 | 107.1 | V53 | I44-V53 HydrophobicContact CG1-CG2 4.39Å |
| 45 | S | 77 | Confident | 81.3 | Confident | 28 Ų | 28 | 90.5 Ų | 90.5 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.4 | 173.5 | 67.1 | 0 | 0 | 0 | 0 | 109.7 | Q43 E52 R54 | Q43-S45 PolarHBondContact O-N 3.24Å; S45-E52 PolarHBondContact N-O 3.48Å; S45-E52 PolarHBondContact O-N 3.5Å; S45-R54 VanDerWaalsContact OG-CZ 3.31Å; S45-R54 PolarHBondContact OG-NH1 3.4Å; S45-R54 PolarHBondContact OG-NH2 2.85Å |
| 46 | K | 72.8 | Confident | 81.1 | Confident | 174 Ų | 174 | 91.5 Ų | 91.5 | 76% | 0.757 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 114.3 | 167.9 | -72.3 | -177.1 | 179.9 | 175.9 | 0 | 107.4 | ||
| 47 | K | 71.4 | Confident | 81.1 | Confident | 158 Ų | 158 | 96 Ų | 96 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 99.5 | 168.7 | -165.7 | 174.1 | -179.9 | -179 | 0 | 107.5 | S50 | K47-S50 PolarHBondContact N-O 3.18Å; K47-S50 PolarHBondContact O-N 2.62Å |
| 48 | G | 75.5 | Confident | 81.1 | Confident | 75 Ų | 75 | 91.4 Ų | 91.4 | 77% | 0.773 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -135 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S50 | G48-S50 VanDerWaalsContact C-N 3.35Š|
| 49 | S | 74.7 | Confident | 81.1 | Confident | 134 Ų | 134 | 90.3 Ų | 90.3 | 94% | 0.937 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9.2 | 178.2 | 56 | 0 | 0 | 0 | 0 | 114.1 | ||
| 50 | S | 77.6 | Confident | 81.1 | Confident | 80 Ų | 80 | 91.3 Ų | 91.3 | 56% | 0.559 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134.9 | -177.6 | -160.3 | 0 | 0 | 0 | 0 | 112 | K47 G48 | K47-S50 PolarHBondContact N-O 3.18Å; K47-S50 PolarHBondContact O-N 2.62Å; G48-S50 VanDerWaalsContact C-N 3.35Å |
| 51 | K | 79.2 | Confident | 81.4 | Confident | 154 Ų | 154 | 88.9 Ų | 88.9 | 67% | 0.67 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.6 | 171.6 | -66 | 179.1 | -175.2 | 173 | 0 | 107.8 | ||
| 52 | E | 80.9 | Confident | 81.8 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 38% | 0.383 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.9 | 174.8 | -166.6 | -168.2 | 152.7 | 0 | 0 | 108.5 | S45 R54 | S45-E52 PolarHBondContact N-O 3.48Å; S45-E52 PolarHBondContact O-N 3.5Å; E52-R54 HydrophobicContact CG-CG 4.36Å; E52-R54 IonicContact OE1-CZ 3.86Å; E52-R54 IonicContact OE1-NE 2.68Å; E52-R54 PolarHBondContact OE1-NE 2.97Å; E52-R54 IonicContact OE1-NH2 3.18Å; E52-R54 IonicContact OE2-CZ 3.65Å; E52-R54 IonicContact OE2-NE 2.9Å; E52-R54 IonicContact OE2-NH2 3.51Å; E52-R54 PolarHBondContact OE2-NH2 3.09Å |
| 53 | V | 81.1 | Confident | 82.4 | Confident | 65 Ų | 65 | 89.5 Ų | 89.5 | 39% | 0.394 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 114.1 | 173.7 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | C42 I44 Y55 | C42-V53 HydrophobicContact CB-CG1 3.79Å; I44-V53 HydrophobicContact CG1-CG2 4.39Å; V53-Y55 HydrophobicContact CB-CE2 4.33Å; V53-Y55 HydrophobicContact CG1-CD2 4.21Å; V53-Y55 HydrophobicContact CG1-CE1 4.35Å; V53-Y55 HydrophobicContact CG1-CE2 3.59Å |
| 54 | R | 84.8 | Confident | 83 | Confident | 99 Ų | 99 | 85.6 Ų | 85.6 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.7 | 174.4 | -63.9 | -174.3 | -170.7 | 130.9 | 11.9 | 109.5 | Q43 S45 E52 | Q43-R54 HydrophobicContact CB-CB 4.34Å; Q43-R54 PolarHBondContact N-O 3.26Å; Q43-R54 PolarHBondContact O-N 2.84Å; S45-R54 VanDerWaalsContact OG-CZ 3.31Å; S45-R54 PolarHBondContact OG-NH1 3.4Å; S45-R54 PolarHBondContact OG-NH2 2.85Å; E52-R54 HydrophobicContact CG-CG 4.36Å; E52-R54 IonicContact OE1-CZ 3.86Å; E52-R54 IonicContact OE1-NE 2.68Å; E52-R54 PolarHBondContact OE1-NE 2.97Å; E52-R54 IonicContact OE1-NH2 3.18Å; E52-R54 IonicContact OE2-CZ 3.65Å; E52-R54 IonicContact OE2-NE 2.9Å; E52-R54 IonicContact OE2-NH2 3.51Å; E52-R54 PolarHBondContact OE2-NH2 3.09Å |
| 55 | Y | 85 | Confident | 83.6 | Confident | 91 Ų | 91 | 80.4 Ų | 80.4 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.9 | 172.9 | -66.9 | -83.3 | 0 | 0 | 0 | 109.2 | M33 A36 K37 C42 V53 | M33-Y55 HydrophobicContact CG-CD1 4.1Å; M33-Y55 HydrophobicContact CG-CD2 4.18Å; M33-Y55 HydrophobicContact CG-CE1 4.09Å; M33-Y55 HydrophobicContact CG-CE2 4.18Å; M33-Y55 HydrophobicContact CG-CG 4.14Å; M33-Y55 HydrophobicContact SD-CD2 4.29Å; M33-Y55 HydrophobicContact SD-CE2 4.22Å; A36-Y55 HydrophobicContact CB-CD1 4.08Å; K37-Y55 HydrophobicContact CB-CE1 4.18Å; C42-Y55 HydrophobicContact CB-CD1 3.99Å; C42-Y55 HydrophobicContact CB-CE1 3.8Å; V53-Y55 HydrophobicContact CB-CE2 4.33Å; V53-Y55 HydrophobicContact CG1-CD2 4.21Å; V53-Y55 HydrophobicContact CG1-CE1 4.35Å; V53-Y55 HydrophobicContact CG1-CE2 3.59Å |
| 56 | T | 88 | Confident | 84.4 | Confident | 74 Ų | 74 | 80 Ų | 80 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | trans | -112.1 | 122.3 | 173 | -58.3 | 0 | 0 | 0 | 0 | 108 | T58 | T56-T58 HydrophobicContact CG2-CG2 4.02Å; T56-T58 PolarHBondContact O-N 3.47Å | ||
| 57 | L | 89.9 | Confident | 85.3 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | trans | -74.5 | 111.1 | 174 | -174.3 | 64.5 | 0 | 0 | 0 | 109 | L29 A32 L62 | L29-L57 HydrophobicContact CD2-CD2 4.09Å; A32-L57 HydrophobicContact CB-CD1 3.96Å; L57-L62 HydrophobicContact CD1-CB 4.23Å; L57-L62 HydrophobicContact CD1-CD1 4.39Å; L57-L62 HydrophobicContact CD2-CD2 4.46Å | ||
| 58 | T | 89.2 | Confident | 86.2 | Confident | 45 Ų | 45 | 74.9 Ų | 74.9 | 28% | 0.276 | 41% | 0.413 | S | S | . | . | trans | -114.2 | 156.2 | 176.5 | 70.1 | 0 | 0 | 0 | 0 | 110.5 | T56 E60 I61 L62 | T56-T58 HydrophobicContact CG2-CG2 4.02Å; T56-T58 PolarHBondContact O-N 3.47Å; T58-E60 PolarHBondContact O-N 2.97Å; T58-I61 PolarHBondContact O-N 3.33Å; T58-I61 VanDerWaalsContact O-N 3.09Å; T58-I61 WeakPolarHBondContact OG1-CD1 3.43Å; T58-I61 PolarHBondContact OG1-N 2.89Å; T58-L62 WeakPolarHBondContact O-CB 3.42Å; T58-L62 PolarHBondContact O-N 3.4Å | ||
| 59 | M | 88.1 | Confident | 87 | Confident | 74 Ų | 74 | 75.1 Ų | 75.1 | 37% | 0.365 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.6 | -32.3 | 174.8 | -61.5 | -59.9 | -74.5 | 0 | 0 | 111.8 | I61 L62 E63 V73 | M59-I61 PolarHBondContact O-N 3.23Å; M59-L62 PolarHBondContact O-N 3.15Å; M59-E63 HydrophobicContact CB-CG 4.31Å; M59-E63 HydrophobicContact CE-CG 4.23Å; M59-E63 VanDerWaalsContact O-CB 3.25Å; M59-E63 WeakPolarHBondContact O-CB 3.47Å; M59-E63 VanDerWaalsContact O-CG 3.24Å; M59-E63 WeakPolarHBondContact O-CG 3.48Å; M59-E63 PolarHBondContact O-N 3.39Å; M59-V73 HydrophobicContact CE-CG1 3.44Å; M59-V73 VanDerWaalsContact CE-CG1 3.44Å |
| 60 | E | 86.7 | Confident | 87.8 | Confident | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -23.5 | 177 | -159.8 | -144.6 | 133.6 | 0 | 0 | 113.7 | K39 T58 | K39-E60 PolarHBondContact NZ-O 3.07Å; K39-E60 IonicContact NZ-OE1 3.62Å; K39-E60 PolarHBondContact NZ-OE1 2.99Å; T58-E60 PolarHBondContact O-N 2.97Å |
| 61 | I | 89.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -92.4 | -43.1 | 173.3 | -66.4 | 159.5 | 0 | 0 | 0 | 110.1 | A32 H35 A36 I41 T58 M59 P64 V65 | A32-I61 HydrophobicContact CB-CG2 3.95Å; A32-I61 WeakPolarHBondContact O-CG2 3.49Å; H35-I61 HydrophobicContact CB-CG2 4.16Å; A36-I61 HydrophobicContact CB-CD1 3.48Å; A36-I61 VanDerWaalsContact CB-CD1 3.48Å; A36-I61 HydrophobicContact CB-CG1 4.16Å; A36-I61 HydrophobicContact CB-CG2 4.17Å; I41-I61 HydrophobicContact CB-CD1 3.96Å; I41-I61 HydrophobicContact CD1-CD1 3.79Å; I41-I61 HydrophobicContact CD1-CG1 3.65Å; I41-I61 HydrophobicContact CG1-CD1 4.49Å; I41-I61 HydrophobicContact CG2-CD1 3.8Å; T58-I61 PolarHBondContact O-N 3.33Å; T58-I61 VanDerWaalsContact O-N 3.09Å; T58-I61 WeakPolarHBondContact OG1-CD1 3.43Å; T58-I61 PolarHBondContact OG1-N 2.89Å; M59-I61 PolarHBondContact O-N 3.23Å; I61-P64 WeakPolarHBondContact O-CD 3.38Å; I61-P64 WeakPolarHBondContact O-CG 3.33Å; I61-V65 WeakPolarHBondContact O-CG2 3.25Å |
| 62 | L | 90.9 | Very high | 88.6 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -77.5 | -38.3 | -170.2 | -176.6 | 62 | 0 | 0 | 0 | 113.3 | I28 L57 T58 M59 V65 L66 | I28-L62 HydrophobicContact CG2-CD1 4.06Å; L57-L62 HydrophobicContact CD1-CB 4.23Å; L57-L62 HydrophobicContact CD1-CD1 4.39Å; L57-L62 HydrophobicContact CD2-CD2 4.46Å; T58-L62 WeakPolarHBondContact O-CB 3.42Å; T58-L62 PolarHBondContact O-N 3.4Å; M59-L62 PolarHBondContact O-N 3.15Å; L62-V65 PolarHBondContact O-N 3.43Å; L62-L66 HydrophobicContact CD1-CD1 3.98Å; L62-L66 HydrophobicContact CD1-CD2 4.25Å; L62-L66 HydrophobicContact CD1-CG 3.79Å; L62-L66 HydrophobicContact CD2-CD1 4.07Å; L62-L66 HydrophobicContact CG-CD1 3.63Å; L62-L66 HydrophobicContact CG-CG 3.91Å; L62-L66 WeakPolarHBondContact O-CB 3.47Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 2.92Å |
| 63 | E | 91.2 | Very high | 88.6 | Confident | 66 Ų | 66 | 68.6 Ų | 68.6 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.5 | -50.9 | 179.3 | -74.2 | 174 | -176 | 0 | 0 | 113.6 | M59 V65 L66 S67 V73 | M59-E63 HydrophobicContact CB-CG 4.31Å; M59-E63 HydrophobicContact CE-CG 4.23Å; M59-E63 VanDerWaalsContact O-CB 3.25Å; M59-E63 WeakPolarHBondContact O-CB 3.47Å; M59-E63 VanDerWaalsContact O-CG 3.24Å; M59-E63 WeakPolarHBondContact O-CG 3.48Å; M59-E63 PolarHBondContact O-N 3.39Å; E63-V65 PolarHBondContact O-N 3.4Å; E63-L66 PolarHBondContact O-N 2.99Å; E63-S67 PolarHBondContact O-N 3.41Å; E63-V73 HydrophobicContact CG-CB 4.3Å; E63-V73 HydrophobicContact CG-CG1 4.43Å |
| 64 | P | 90.6 | Very high | 88.2 | Confident | 41 Ų | 41 | 74 Ų | 74 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 177.8 | 23.2 | -32.4 | 0 | 0 | 0 | 111.9 | H35 I61 S67 E68 | H35-P64 VanDerWaalsContact CE1-CG 3.49Å; H35-P64 WeakPolarHBondContact CE1-CG 2.95Å; I61-P64 WeakPolarHBondContact O-CD 3.38Å; I61-P64 WeakPolarHBondContact O-CG 3.33Å; P64-S67 WeakPolarHBondContact O-CB 3.47Å; P64-S67 PolarHBondContact O-N 3.31Å; P64-S67 PolarHBondContact O-OG 3.4Å; P64-E68 PolarHBondContact O-N 3.49Å |
| 65 | V | 92.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 2% | 0.018 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | I28 D31 A32 H35 I61 L62 E63 S67 E68 Y69 | I28-V65 HydrophobicContact CG2-CG1 4.2Å; D31-V65 HydrophobicContact CB-CG1 3.73Å; D31-V65 HydrophobicContact CB-CG2 4.42Å; A32-V65 HydrophobicContact CB-CG2 4.4Å; H35-V65 HydrophobicContact CB-CG2 4.14Å; I61-V65 WeakPolarHBondContact O-CG2 3.25Å; L62-V65 PolarHBondContact O-N 3.43Å; E63-V65 PolarHBondContact O-N 3.4Å; V65-S67 PolarHBondContact O-N 3.04Å; V65-E68 WeakPolarHBondContact O-CB 3.49Å; V65-E68 PolarHBondContact O-N 3.07Å; V65-Y69 HydrophobicContact CG1-CD2 4.31Å; V65-Y69 HydrophobicContact CG1-CE2 4.08Å; V65-Y69 WeakPolarHBondContact O-CD2 3.46Å; V65-Y69 PolarHBondContact O-N 3.46Å |
| 66 | L | 92.8 | Very high | 86.7 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.7 | -32.9 | 177.9 | -72.5 | -179.5 | 0 | 0 | 0 | 112.5 | I28 L62 E63 E68 Y69 G70 I71 V73 | I28-L66 HydrophobicContact CD1-CD2 4.32Å; I28-L66 HydrophobicContact CG2-CD2 4.01Å; L62-L66 HydrophobicContact CD1-CD1 3.98Å; L62-L66 HydrophobicContact CD1-CD2 4.25Å; L62-L66 HydrophobicContact CD1-CG 3.79Å; L62-L66 HydrophobicContact CD2-CD1 4.07Å; L62-L66 HydrophobicContact CG-CD1 3.63Å; L62-L66 HydrophobicContact CG-CG 3.91Å; L62-L66 WeakPolarHBondContact O-CB 3.47Å; L62-L66 WeakPolarHBondContact O-CG 3.41Å; L62-L66 PolarHBondContact O-N 2.92Å; E63-L66 PolarHBondContact O-N 2.99Å; L66-E68 VanDerWaalsContact C-N 3.28Å; L66-E68 PolarHBondContact O-N 3.25Å; L66-Y69 CarbonylContact O-C 3.52Å; L66-Y69 PolarHBondContact O-N 3.43Å; L66-Y69 VanDerWaalsContact O-N 3.13Å; L66-G70 PolarHBondContact O-N 3.49Å; L66-I71 CarbonylContact C-O 3.27Å; L66-I71 VanDerWaalsContact C-O 3.27Å; L66-I71 HydrophobicContact CB-CB 4.06Å; L66-I71 HydrophobicContact CB-CG2 4.29Å; L66-I71 HydrophobicContact CD1-CG2 4.43Å; L66-I71 HydrophobicContact CD2-CB 4.42Å; L66-I71 HydrophobicContact CD2-CD1 3.99Å; L66-I71 HydrophobicContact CD2-CG2 4.49Å; L66-I71 WeakPolarHBondContact O-CA 3.19Å; L66-I71 WeakPolarHBondContact O-CB 3.37Å; L66-I71 PolarHBondContact O-N 3.13Å; L66-V73 HydrophobicContact CB-CG2 4.37Å; L66-V73 HydrophobicContact CD1-CG2 3.46Å; L66-V73 VanDerWaalsContact CD1-CG2 3.46Å |
| 67 | S | 91.7 | Very high | 85.6 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 53% | 0.531 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.2 | -32.8 | 175.4 | 81.9 | 0 | 0 | 0 | 0 | 112.9 | E63 P64 V65 Y69 G70 I71 | E63-S67 PolarHBondContact O-N 3.41Å; P64-S67 WeakPolarHBondContact O-CB 3.47Å; P64-S67 PolarHBondContact O-N 3.31Å; P64-S67 PolarHBondContact O-OG 3.4Å; V65-S67 PolarHBondContact O-N 3.04Å; S67-Y69 VanDerWaalsContact C-N 3.31Å; S67-Y69 PolarHBondContact O-N 2.94Å; S67-G70 PolarHBondContact O-N 2.68Å; S67-I71 PolarHBondContact N-O 3.12Å |
| 68 | E | 90.8 | Very high | 84.9 | Confident | 148 Ų | 148 | 82.5 Ų | 82.5 | 69% | 0.692 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.3 | -31.5 | 174.4 | -63.3 | 179.6 | -174.1 | 0 | 0 | 112.1 | P64 V65 L66 G70 | P64-E68 PolarHBondContact O-N 3.49Å; V65-E68 WeakPolarHBondContact O-CB 3.49Å; V65-E68 PolarHBondContact O-N 3.07Å; L66-E68 VanDerWaalsContact C-N 3.28Å; L66-E68 PolarHBondContact O-N 3.25Å; E68-G70 PolarHBondContact O-N 3.26Å |
| 69 | Y | 92.2 | Very high | 84.1 | Confident | 81 Ų | 81 | 87.8 Ų | 87.8 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 3.7 | 172.1 | -72 | -93.4 | 0 | 0 | 0 | 113.2 | F24 I28 D31 V65 L66 S67 I71 | F24-Y69 AromaticContact CE2-CD1 3.93Å; F24-Y69 HydrophobicContact CE2-CD1 3.93Å; F24-Y69 HydrophobicContact CE2-CE1 4.22Å; F24-Y69 HydrophobicContact CZ-CD1 4.42Å; I28-Y69 HydrophobicContact CG1-CD1 4.29Å; I28-Y69 HydrophobicContact CG1-CD2 4.06Å; I28-Y69 HydrophobicContact CG1-CE1 4.02Å; I28-Y69 HydrophobicContact CG1-CE2 3.82Å; I28-Y69 HydrophobicContact CG1-CG 4.3Å; D31-Y69 WeakPolarHBondContact OD2-CE2 3.4Å; D31-Y69 PolarHBondContact OD2-OH 3.25Å; V65-Y69 HydrophobicContact CG1-CD2 4.31Å; V65-Y69 HydrophobicContact CG1-CE2 4.08Å; V65-Y69 WeakPolarHBondContact O-CD2 3.46Å; V65-Y69 PolarHBondContact O-N 3.46Å; L66-Y69 CarbonylContact O-C 3.52Å; L66-Y69 PolarHBondContact O-N 3.43Å; L66-Y69 VanDerWaalsContact O-N 3.13Å; S67-Y69 VanDerWaalsContact C-N 3.31Å; S67-Y69 PolarHBondContact O-N 2.94Å; Y69-I71 VanDerWaalsContact C-N 3.3Å; Y69-I71 PolarHBondContact O-N 2.85Å |
| 70 | G | 90.7 | Very high | 82.2 | Confident | 69 Ų | 69 | 95.8 Ų | 95.8 | 71% | 0.711 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 13.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L66 S67 E68 | L66-G70 PolarHBondContact O-N 3.49Å; S67-G70 PolarHBondContact O-N 2.68Å; E68-G70 PolarHBondContact O-N 3.26Å |
| 71 | I | 89.6 | Confident | 82 | Confident | 69 Ų | 69 | 94.9 Ų | 94.9 | 35% | 0.354 | 49% | 0.494 | S | S | . | . | trans | -96.4 | 109.5 | 179.7 | -60.3 | 169.1 | 0 | 0 | 0 | 108.7 | L66 S67 Y69 V73 | L66-I71 CarbonylContact C-O 3.27Å; L66-I71 VanDerWaalsContact C-O 3.27Å; L66-I71 HydrophobicContact CB-CB 4.06Å; L66-I71 HydrophobicContact CB-CG2 4.29Å; L66-I71 HydrophobicContact CD1-CG2 4.43Å; L66-I71 HydrophobicContact CD2-CB 4.42Å; L66-I71 HydrophobicContact CD2-CD1 3.99Å; L66-I71 HydrophobicContact CD2-CG2 4.49Å; L66-I71 WeakPolarHBondContact O-CA 3.19Å; L66-I71 WeakPolarHBondContact O-CB 3.37Å; L66-I71 PolarHBondContact O-N 3.13Å; S67-I71 PolarHBondContact N-O 3.12Å; Y69-I71 VanDerWaalsContact C-N 3.3Å; Y69-I71 PolarHBondContact O-N 2.85Å; I71-V73 HydrophobicContact CG2-CG2 4.01Å; I71-V73 PolarHBondContact O-N 3.04Å | ||
| 72 | N | 85.6 | Confident | 81.6 | Confident | 126 Ų | 126 | 99.8 Ų | 99.8 | 67% | 0.674 | 52% | 0.52 | S | S | * | . | trans | -87.5 | 110.4 | 177.9 | -170 | 8.9 | 0 | 0 | 0 | 111.2 | K74 | N72-K74 WeakPolarHBondContact ND2-CE 3.42Š| ||
| 73 | V | 80.1 | Confident | 81.1 | Confident | 48 Ų | 48 | 103.6 Ų | 103.6 | 29% | 0.291 | 54% | 0.54 | S | S | . | . | trans | -103.6 | 104.7 | 176.2 | -177 | 0 | 0 | 0 | 0 | 109.1 | M59 E63 L66 I71 | M59-V73 HydrophobicContact CE-CG1 3.44Å; M59-V73 VanDerWaalsContact CE-CG1 3.44Å; E63-V73 HydrophobicContact CG-CB 4.3Å; E63-V73 HydrophobicContact CG-CG1 4.43Å; L66-V73 HydrophobicContact CB-CG2 4.37Å; L66-V73 HydrophobicContact CD1-CG2 3.46Å; L66-V73 VanDerWaalsContact CD1-CG2 3.46Å; I71-V73 HydrophobicContact CG2-CG2 4.01Å; I71-V73 PolarHBondContact O-N 3.04Å | ||
| 74 | K | 72.3 | Confident | 80.5 | Confident | 179 Ų | 179 | 105.8 Ų | 105.8 | 78% | 0.778 | 55% | 0.553 | S | S | * | * | trans | -98.6 | 106.7 | 173.3 | -68.4 | -172.7 | 179.5 | -176.7 | 0 | 109.5 | N72 | N72-K74 WeakPolarHBondContact ND2-CE 3.42Š| ||
| 75 | K | 67.6 | Low | 79.9 | Confident | 134 Ų | 134 | 109.8 Ų | 109.8 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | trans | -76.1 | 130.2 | 166.7 | -173 | 177.3 | 176.2 | -178.5 | 0 | 109 | P77 | K75-P77 VanDerWaalsContact O-CD 3.3Å; K75-P77 WeakPolarHBondContact O-CD 3.49Å | ||
| 76 | N | 71.2 | Confident | 79.1 | Confident | 107 Ų | 107 | 116.9 Ų | 116.9 | 57% | 0.572 | 61% | 0.608 | S | S | * | * | trans | -70.5 | 115.8 | 165.6 | -163.9 | -6.6 | 0 | 0 | 0 | 107.8 | Y78 | N76-Y78 VanDerWaalsContact C-N 3.28Å; N76-Y78 PolarHBondContact O-N 3.32Å | ||
| 77 | P | 65.1 | Low | 78.1 | Confident | 101 Ų | 101 | 123.9 Ų | 123.9 | 66% | 0.656 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -75.5 | 86.5 | -178.5 | 5.2 | 10.6 | 0 | 0 | 0 | 108.9 | K75 | K75-P77 VanDerWaalsContact O-CD 3.3Å; K75-P77 WeakPolarHBondContact O-CD 3.49Å |
| 78 | Y | 75.7 | Confident | 77 | Confident | 199 Ų | 199 | 127.5 Ų | 127.5 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 66.1 | 130.4 | -177.2 | -46.9 | -80.1 | 0 | 0 | 0 | 113.3 | N76 L80 | N76-Y78 VanDerWaalsContact C-N 3.28Å; N76-Y78 PolarHBondContact O-N 3.32Å; Y78-L80 PolarHBondContact O-N 3.08Å |
| 79 | L | 71.2 | Confident | 75.9 | Confident | 156 Ų | 156 | 125.8 Ų | 125.8 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | trans | -67.3 | 115.4 | 172.6 | -65.4 | 166.7 | 0 | 0 | 0 | 108.3 | ||||
| 80 | L | 49.6 | Very low | 74.4 | Confident | 241 Ų | 241 | 129.9 Ų | 129.9 | 100% | 1.262 | 68% | 0.68 | S | S | * | * | trans | -78.8 | 0 | 136.4 | -77.5 | 164.6 | 0 | 0 | 0 | 108 | Y78 | Y78-L80 PolarHBondContact O-N 3.08Š|
Retrieved 80 of 80 residues in 40.7 ms
(Link to these results)