| 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 | 60 | Low | 83.1 | Confident | 226 Ų | 226 | 107 Ų | 107 | 100% | 1.113 | 58% | 0.578 | S | S | * | * | 0 | 128.5 | 0 | -66.6 | -56.8 | -171.6 | 0 | 0 | 107.3 | |||||
| 2 | D | 78 | Confident | 83.8 | Confident | 85 Ų | 85 | 108.8 Ų | 108.8 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | trans | -65.1 | 123.1 | 174.5 | -176.3 | -22.8 | 0 | 0 | 0 | 108.6 | M4 K5 A6 | D2-M4 PolarHBondContact O-N 3.26Å; D2-M4 VanDerWaalsContact O-N 3.16Å; D2-M4 PolarHBondContact OD1-N 3.44Å; D2-K5 HydrophobicContact CB-CB 4.37Å; D2-K5 HydrophobicContact CB-CD 4.35Å; D2-K5 HydrophobicContact CB-CG 4.34Å; D2-K5 PolarHBondContact O-N 3.47Å; D2-A6 PolarHBondContact O-N 2.81Å | ||
| 3 | P | 77.3 | Confident | 84.6 | Confident | 97 Ų | 97 | 106.8 Ų | 106.8 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.1 | -28.5 | -177.4 | 20.8 | -31.8 | 0 | 0 | 0 | 113.4 | A6 Q7 | P3-A6 PolarHBondContact O-N 3.02Å; P3-Q7 PolarHBondContact O-N 3.24Å |
| 4 | M | 81.9 | Confident | 85.1 | Confident | 123 Ų | 123 | 107.8 Ų | 107.8 | 61% | 0.606 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.1 | -38.2 | 175.3 | -72.9 | -173.7 | 58.4 | 0 | 0 | 112.6 | D2 A6 Q7 Q8 | D2-M4 PolarHBondContact O-N 3.26Å; D2-M4 VanDerWaalsContact O-N 3.16Å; D2-M4 PolarHBondContact OD1-N 3.44Å; M4-A6 VanDerWaalsContact C-N 3.34Å; M4-Q7 PolarHBondContact O-N 3.38Å; M4-Q8 WeakPolarHBondContact O-CG 3.38Å; M4-Q8 PolarHBondContact O-N 3.49Å; M4-Q8 VanDerWaalsContact O-N 3.1Å |
| 5 | K | 85.1 | Confident | 85.7 | Confident | 142 Ų | 142 | 107.4 Ų | 107.4 | 62% | 0.617 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.5 | -33.4 | 176.9 | -76.2 | -178.3 | 176.4 | 178.2 | 0 | 112.2 | D2 L9 | D2-K5 HydrophobicContact CB-CB 4.37Å; D2-K5 HydrophobicContact CB-CD 4.35Å; D2-K5 HydrophobicContact CB-CG 4.34Å; D2-K5 PolarHBondContact O-N 3.47Å; K5-L9 WeakPolarHBondContact O-CB 3.44Å; K5-L9 PolarHBondContact O-N 3.06Å |
| 6 | A | 85.4 | Confident | 86.3 | Confident | 54 Ų | 54 | 109.1 Ų | 109.1 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.9 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D2 P3 M4 A10 | D2-A6 PolarHBondContact O-N 2.81Å; P3-A6 PolarHBondContact O-N 3.02Å; M4-A6 VanDerWaalsContact C-N 3.34Å; A6-A10 PolarHBondContact O-N 3.33Å |
| 7 | Q | 86.2 | Confident | 86.7 | Confident | 148 Ų | 148 | 109.8 Ų | 109.8 | 69% | 0.692 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.1 | -40.6 | 175 | -75.4 | 178.3 | -34.5 | 0 | 0 | 112.5 | P3 M4 A10 A11 | P3-Q7 PolarHBondContact O-N 3.24Å; M4-Q7 PolarHBondContact O-N 3.38Å; Q7-A10 PolarHBondContact O-N 3.24Å; Q7-A11 PolarHBondContact O-N 2.97Å; Q7-A11 VanDerWaalsContact O-N 3.07Å |
| 8 | Q | 88.8 | Confident | 87.1 | Confident | 110 Ų | 110 | 111.3 Ų | 111.3 | 51% | 0.514 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.7 | -46.6 | 175.1 | -76.4 | 174.2 | -26.4 | 0 | 0 | 111.7 | M4 A10 A11 E12 | M4-Q8 WeakPolarHBondContact O-CG 3.38Å; M4-Q8 PolarHBondContact O-N 3.49Å; M4-Q8 VanDerWaalsContact O-N 3.1Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.12Å; Q8-A11 PolarHBondContact O-N 3.22Å; Q8-E12 WeakPolarHBondContact O-CG 3.45Å; Q8-E12 PolarHBondContact O-N 3.38Å |
| 9 | L | 90.1 | Very high | 87.6 | Confident | 98 Ų | 98 | 108 Ų | 108 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.2 | -40.5 | 177.9 | -178.4 | 62.6 | 0 | 0 | 0 | 112.2 | K5 E12 L13 | K5-L9 WeakPolarHBondContact O-CB 3.44Å; K5-L9 PolarHBondContact O-N 3.06Å; L9-E12 PolarHBondContact O-N 2.93Å; L9-L13 HydrophobicContact CD1-CD1 4.48Å; L9-L13 HydrophobicContact CD1-CG 4.47Å; L9-L13 HydrophobicContact CG-CD1 4.19Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.1Å |
| 10 | A | 89.9 | Confident | 88.1 | Confident | 46 Ų | 46 | 106.4 Ų | 106.4 | 38% | 0.38 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.5 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A6 Q7 Q8 L13 E14 | A6-A10 PolarHBondContact O-N 3.33Å; Q7-A10 PolarHBondContact O-N 3.24Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.12Å; A10-L13 PolarHBondContact O-N 3.45Å; A10-E14 WeakPolarHBondContact O-CG 3.49Å; A10-E14 PolarHBondContact O-N 3.47Å |
| 11 | A | 91 | Very high | 88.5 | Confident | 48 Ų | 48 | 103 Ų | 103 | 40% | 0.397 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q7 Q8 E14 V15 | Q7-A11 PolarHBondContact O-N 2.97Å; Q7-A11 VanDerWaalsContact O-N 3.07Å; Q8-A11 PolarHBondContact O-N 3.22Å; A11-E14 PolarHBondContact O-N 3.02Å; A11-V15 WeakPolarHBondContact O-CG2 3.23Å; A11-V15 PolarHBondContact O-N 2.89Å; A11-V15 VanDerWaalsContact O-N 3.14Å |
| 12 | E | 92.1 | Very high | 90.3 | Very high | 129 Ų | 129 | 98.9 Ų | 98.9 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 175.1 | -74.3 | 172.9 | -175.1 | 0 | 0 | 111.6 | Q8 L9 V15 E16 | Q8-E12 WeakPolarHBondContact O-CG 3.45Å; Q8-E12 PolarHBondContact O-N 3.38Å; L9-E12 PolarHBondContact O-N 2.93Å; E12-V15 PolarHBondContact O-N 3.23Å; E12-E16 PolarHBondContact O-N 3.45Å |
| 13 | L | 93.5 | Very high | 91.2 | Very high | 82 Ų | 82 | 99.1 Ų | 99.1 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.6 | -71.8 | 169.7 | 0 | 0 | 0 | 112 | L9 A10 V15 E16 M17 | L9-L13 HydrophobicContact CD1-CD1 4.48Å; L9-L13 HydrophobicContact CD1-CG 4.47Å; L9-L13 HydrophobicContact CG-CD1 4.19Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.1Å; A10-L13 PolarHBondContact O-N 3.45Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.34Å; L13-E16 PolarHBondContact O-N 3.06Å; L13-M17 WeakPolarHBondContact O-CB 3.41Å; L13-M17 VanDerWaalsContact O-CG 3.27Å; L13-M17 WeakPolarHBondContact O-CG 3.22Å; L13-M17 PolarHBondContact O-N 2.94Å |
| 14 | E | 92 | Very high | 92.2 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.9 | -45.5 | 174.8 | -76.2 | 176.5 | -179.6 | 0 | 0 | 111.7 | A10 A11 M17 M18 | A10-E14 WeakPolarHBondContact O-CG 3.49Å; A10-E14 PolarHBondContact O-N 3.47Å; A11-E14 PolarHBondContact O-N 3.02Å; E14-M17 HydrophobicContact CG-CE 4.37Å; E14-M17 PolarHBondContact O-N 3.45Å; E14-M18 VanDerWaalsContact O-CG 3.31Å; E14-M18 WeakPolarHBondContact O-CG 3.41Å; E14-M18 PolarHBondContact O-N 3.4Å |
| 15 | V | 94.3 | Very high | 93 | Very high | 102 Ų | 102 | 96.7 Ų | 96.7 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.8 | -44.5 | 178.1 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | A11 E12 L13 M17 M18 A19 | A11-V15 WeakPolarHBondContact O-CG2 3.23Å; A11-V15 PolarHBondContact O-N 2.89Å; A11-V15 VanDerWaalsContact O-N 3.14Å; E12-V15 PolarHBondContact O-N 3.23Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.34Å; V15-M17 PolarHBondContact O-N 3.27Å; V15-M18 PolarHBondContact O-N 2.97Å; V15-A19 PolarHBondContact O-N 3.05Å |
| 16 | E | 94.9 | Very high | 93.6 | Very high | 135 Ų | 135 | 92.8 Ų | 92.8 | 63% | 0.631 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 178.6 | -172.9 | 177.9 | -178.6 | 0 | 0 | 111.7 | E12 L13 M18 A19 D20 | E12-E16 PolarHBondContact O-N 3.45Å; L13-E16 PolarHBondContact O-N 3.06Å; E16-M18 PolarHBondContact O-N 3.18Å; E16-A19 WeakPolarHBondContact O-CB 3.44Å; E16-A19 PolarHBondContact O-N 3.07Å; E16-D20 PolarHBondContact O-N 3.06Å |
| 17 | M | 93.6 | Very high | 94.2 | Very high | 120 Ų | 120 | 95 Ų | 95 | 59% | 0.591 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 176.5 | -70.8 | -172.5 | -61.2 | 0 | 0 | 112.1 | L13 E14 V15 A19 D20 M21 | L13-M17 WeakPolarHBondContact O-CB 3.41Å; L13-M17 VanDerWaalsContact O-CG 3.27Å; L13-M17 WeakPolarHBondContact O-CG 3.22Å; L13-M17 PolarHBondContact O-N 2.94Å; E14-M17 HydrophobicContact CG-CE 4.37Å; E14-M17 PolarHBondContact O-N 3.45Å; V15-M17 PolarHBondContact O-N 3.27Å; M17-A19 VanDerWaalsContact C-N 3.29Å; M17-A19 PolarHBondContact O-N 3.2Å; M17-D20 PolarHBondContact O-N 2.64Å; M17-M21 PolarHBondContact O-N 3.3Å |
| 18 | M | 94.4 | Very high | 94.8 | Very high | 138 Ų | 138 | 89.3 Ų | 89.3 | 68% | 0.68 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.8 | -36.5 | 176.4 | -72.4 | -172.2 | 71.4 | 0 | 0 | 111.9 | E14 V15 E16 M21 Y22 | E14-M18 VanDerWaalsContact O-CG 3.31Å; E14-M18 WeakPolarHBondContact O-CG 3.41Å; E14-M18 PolarHBondContact O-N 3.4Å; V15-M18 PolarHBondContact O-N 2.97Å; E16-M18 PolarHBondContact O-N 3.18Å; M18-M21 PolarHBondContact O-N 3.48Å; M18-Y22 WeakPolarHBondContact O-CB 3.48Å; M18-Y22 PolarHBondContact O-N 3.01Å |
| 19 | A | 96.1 | Very high | 95.3 | Very high | 48 Ų | 48 | 84.2 Ų | 84.2 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V15 E16 M17 Y22 N23 | V15-A19 PolarHBondContact O-N 3.05Å; E16-A19 WeakPolarHBondContact O-CB 3.44Å; E16-A19 PolarHBondContact O-N 3.07Å; M17-A19 VanDerWaalsContact C-N 3.29Å; M17-A19 PolarHBondContact O-N 3.2Å; A19-Y22 PolarHBondContact O-N 3.24Å; A19-N23 PolarHBondContact O-N 3.16Å; A19-N23 PolarHBondContact O-ND2 3.1Å; A19-N23 VanDerWaalsContact O-ND2 3.16Å |
| 20 | D | 96.7 | Very high | 95.7 | Very high | 75 Ų | 75 | 83.5 Ų | 83.5 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 174.4 | -176.3 | 52.2 | 0 | 0 | 0 | 111.4 | E16 M17 Y22 N23 R24 | E16-D20 PolarHBondContact O-N 3.06Å; M17-D20 PolarHBondContact O-N 2.64Å; D20-Y22 VanDerWaalsContact C-N 3.34Å; D20-Y22 PolarHBondContact O-N 3.02Å; D20-N23 PolarHBondContact O-N 2.81Å; D20-R24 VanDerWaalsContact CG-NE 3.33Å; D20-R24 WeakPolarHBondContact O-CG 3.25Å; D20-R24 PolarHBondContact O-N 3.36Å; D20-R24 IonicContact OD1-CZ 3.91Å; D20-R24 IonicContact OD1-NE 3.2Å; D20-R24 PolarHBondContact OD1-NE 3.24Å; D20-R24 IonicContact OD1-NH2 3.69Å; D20-R24 IonicContact OD2-CZ 3.37Å; D20-R24 IonicContact OD2-NE 2.73Å; D20-R24 PolarHBondContact OD2-NE 2.9Å; D20-R24 IonicContact OD2-NH2 3.2Å; D20-R24 PolarHBondContact OD2-NH2 3.43Å |
| 21 | M | 96.6 | Very high | 96.1 | Very high | 37 Ų | 37 | 91.5 Ų | 91.5 | 18% | 0.182 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 175.6 | -169.2 | -138.5 | 81 | 0 | 0 | 111.5 | M17 M18 N23 R24 M25 Y58 L59 | M17-M21 PolarHBondContact O-N 3.3Å; M18-M21 PolarHBondContact O-N 3.48Å; M21-N23 PolarHBondContact O-N 2.96Å; M21-R24 PolarHBondContact O-N 2.79Å; M21-M25 HydrophobicContact CE-CE 4.22Å; M21-M25 HydrophobicContact CE-SD 4.09Å; M21-M25 VanDerWaalsContact O-CB 3.28Å; M21-M25 WeakPolarHBondContact O-CB 3.31Å; M21-M25 PolarHBondContact O-N 3.35Å; M21-Y58 HydrophobicContact CG-CE1 4.17Å; M21-L59 HydrophobicContact CE-CD2 3.78Å; M21-L59 HydrophobicContact SD-CD2 4.05Å |
| 22 | Y | 97.7 | Very high | 96.4 | Very high | 139 Ų | 139 | 96.7 Ų | 96.7 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 178.7 | 178.5 | -95.3 | 0 | 0 | 0 | 112.1 | M18 A19 D20 M25 T26 | M18-Y22 WeakPolarHBondContact O-CB 3.48Å; M18-Y22 PolarHBondContact O-N 3.01Å; A19-Y22 PolarHBondContact O-N 3.24Å; D20-Y22 VanDerWaalsContact C-N 3.34Å; D20-Y22 PolarHBondContact O-N 3.02Å; Y22-M25 HydrophobicContact CD2-CE 4.16Å; Y22-M25 PolarHBondContact O-N 3.23Å; Y22-T26 VanDerWaalsContact O-CB 3.32Å; Y22-T26 WeakPolarHBondContact O-CB 3.38Å; Y22-T26 PolarHBondContact O-N 3.12Å; Y22-T26 PolarHBondContact O-OG1 3.46Å |
| 23 | N | 98.1 | Very high | 96.7 | Very high | 89 Ų | 89 | 91.1 Ų | 91.1 | 48% | 0.476 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.7 | -72.3 | -34.5 | 0 | 0 | 0 | 111.9 | A19 D20 M21 N27 | A19-N23 PolarHBondContact O-N 3.16Å; A19-N23 PolarHBondContact O-ND2 3.1Å; A19-N23 VanDerWaalsContact O-ND2 3.16Å; D20-N23 PolarHBondContact O-N 2.81Å; M21-N23 PolarHBondContact O-N 2.96Å; N23-N27 WeakPolarHBondContact O-CB 3.32Å; N23-N27 PolarHBondContact O-N 3.38Å; N23-N27 PolarHBondContact O-ND2 3.36Å |
| 24 | R | 98.1 | Very high | 96.9 | Very high | 152 Ų | 152 | 88 Ų | 88 | 57% | 0.574 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.3 | -43.9 | 177.1 | -70 | 177.2 | -171.6 | -112.6 | 3.1 | 112 | D20 M21 N27 A28 Y58 | D20-R24 VanDerWaalsContact CG-NE 3.33Å; D20-R24 WeakPolarHBondContact O-CG 3.25Å; D20-R24 PolarHBondContact O-N 3.36Å; D20-R24 IonicContact OD1-CZ 3.91Å; D20-R24 IonicContact OD1-NE 3.2Å; D20-R24 PolarHBondContact OD1-NE 3.24Å; D20-R24 IonicContact OD1-NH2 3.69Å; D20-R24 IonicContact OD2-CZ 3.37Å; D20-R24 IonicContact OD2-NE 2.73Å; D20-R24 PolarHBondContact OD2-NE 2.9Å; D20-R24 IonicContact OD2-NH2 3.2Å; D20-R24 PolarHBondContact OD2-NH2 3.43Å; M21-R24 PolarHBondContact O-N 2.79Å; R24-N27 PolarHBondContact O-N 3.04Å; R24-A28 VanDerWaalsContact O-CB 3.3Å; R24-A28 WeakPolarHBondContact O-CB 3.31Å; R24-A28 PolarHBondContact O-N 3.29Å; R24-Y58 WeakPolarHBondContact CB-OH 3.09Å |
| 25 | M | 98.4 | Very high | 97.1 | Very high | 17 Ų | 17 | 85.2 Ų | 85.2 | 8% | 0.084 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 177 | -178.6 | 178.1 | 70.7 | 0 | 0 | 111.3 | M21 Y22 N27 A28 C29 V55 Y58 L59 | M21-M25 HydrophobicContact CE-CE 4.22Å; M21-M25 HydrophobicContact CE-SD 4.09Å; M21-M25 VanDerWaalsContact O-CB 3.28Å; M21-M25 WeakPolarHBondContact O-CB 3.31Å; M21-M25 PolarHBondContact O-N 3.35Å; Y22-M25 HydrophobicContact CD2-CE 4.16Å; Y22-M25 PolarHBondContact O-N 3.23Å; M25-N27 PolarHBondContact O-N 2.96Å; M25-A28 PolarHBondContact O-N 3.42Å; M25-C29 WeakPolarHBondContact O-CB 3.41Å; M25-C29 PolarHBondContact O-N 3.41Å; M25-V55 HydrophobicContact CE-CG1 4.28Å; M25-V55 HydrophobicContact SD-CB 4.44Å; M25-V55 HydrophobicContact SD-CG1 3.91Å; M25-V55 HydrophobicContact SD-CG2 4.33Å; M25-Y58 HydrophobicContact CB-CD1 3.73Å; M25-Y58 HydrophobicContact CB-CD2 4.31Å; M25-Y58 HydrophobicContact CB-CE1 3.62Å; M25-Y58 HydrophobicContact CB-CE2 4.2Å; M25-Y58 HydrophobicContact CB-CG 4.09Å; M25-Y58 HydrophobicContact CG-CD1 3.6Å; M25-Y58 HydrophobicContact CG-CD2 4.17Å; M25-Y58 HydrophobicContact CG-CE1 4.06Å; M25-Y58 HydrophobicContact CG-CG 3.68Å; M25-Y58 HydrophobicContact SD-CD1 3.88Å; M25-Y58 HydrophobicContact SD-CG 4.3Å; M25-L59 HydrophobicContact SD-CD2 4.22Å; M25-L59 HydrophobicContact SD-CG 4.31Å |
| 26 | T | 98.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 86.4 Ų | 86.4 | 37% | 0.368 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 180 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | Y22 A28 C29 H30 | Y22-T26 VanDerWaalsContact O-CB 3.32Å; Y22-T26 WeakPolarHBondContact O-CB 3.38Å; Y22-T26 PolarHBondContact O-N 3.12Å; Y22-T26 PolarHBondContact O-OG1 3.46Å; T26-A28 PolarHBondContact O-N 3.47Å; T26-C29 PolarHBondContact O-N 2.88Å; T26-H30 VanDerWaalsContact O-CB 3.24Å; T26-H30 WeakPolarHBondContact O-CB 3.29Å; T26-H30 PolarHBondContact O-N 3.13Å |
| 27 | N | 98.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 86.5 Ų | 86.5 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62 | -41 | 177 | -77.2 | -44.4 | 0 | 0 | 0 | 112.8 | N23 R24 M25 R31 | N23-N27 WeakPolarHBondContact O-CB 3.32Å; N23-N27 PolarHBondContact O-N 3.38Å; N23-N27 PolarHBondContact O-ND2 3.36Å; R24-N27 PolarHBondContact O-N 3.04Å; M25-N27 PolarHBondContact O-N 2.96Å; N27-R31 WeakPolarHBondContact O-CB 3.43Å; N27-R31 WeakPolarHBondContact O-CG 3.49Å; N27-R31 PolarHBondContact O-N 2.89Å; N27-R31 VanDerWaalsContact O-N 3.1Å |
| 28 | A | 98.5 | Very high | 97.2 | Very high | 28 Ų | 28 | 87.2 Ų | 87.2 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R24 M25 T26 R31 K32 Y58 | R24-A28 VanDerWaalsContact O-CB 3.3Å; R24-A28 WeakPolarHBondContact O-CB 3.31Å; R24-A28 PolarHBondContact O-N 3.29Å; M25-A28 PolarHBondContact O-N 3.42Å; T26-A28 PolarHBondContact O-N 3.47Å; A28-R31 PolarHBondContact O-N 2.93Å; A28-K32 WeakPolarHBondContact O-CB 3.42Å; A28-K32 VanDerWaalsContact O-CG 3.24Å; A28-K32 WeakPolarHBondContact O-CG 3.43Å; A28-K32 PolarHBondContact O-N 3.14Å; A28-Y58 HydrophobicContact CB-CD2 4.38Å; A28-Y58 HydrophobicContact CB-CE2 4.19Å |
| 29 | C | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 90 Ų | 90 | 2% | 0.02 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72 | -38.1 | -179 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | M25 T26 R31 K32 C33 L51 C54 | M25-C29 WeakPolarHBondContact O-CB 3.41Å; M25-C29 PolarHBondContact O-N 3.41Å; T26-C29 PolarHBondContact O-N 2.88Å; C29-R31 PolarHBondContact O-N 3.08Å; C29-K32 PolarHBondContact O-N 2.99Å; C29-C33 VanDerWaalsContact O-CB 3.3Å; C29-C33 WeakPolarHBondContact O-CB 3.26Å; C29-C33 PolarHBondContact O-N 2.97Å; C29-L51 HydrophobicContact CB-CD2 4.08Å; C29-C54 WeakPolarHBondContact CA-SG 3.02Å; C29-C54 HydrophobicContact CB-CB 3.81Å; C29-C54 WeakPolarHBondContact CB-SG 3.46Å; C29-C54 VanDerWaalsContact SG-C 3.5Å; C29-C54 WeakPolarHBondContact SG-CB 3.37Å; C29-C54 CovalentContact SG-SG 2.05Å; C29-C54 PolarHBondContact SG-SG 3.49Å |
| 30 | H | 98.1 | Very high | 97 | Very high | 82 Ų | 82 | 93.4 Ų | 93.4 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.4 | -52.2 | 170.9 | -177.5 | -85.4 | 0 | 0 | 0 | 111 | T26 K32 C33 V34 Y38 | T26-H30 VanDerWaalsContact O-CB 3.24Å; T26-H30 WeakPolarHBondContact O-CB 3.29Å; T26-H30 PolarHBondContact O-N 3.13Å; H30-K32 VanDerWaalsContact C-N 3.27Å; H30-K32 PolarHBondContact O-N 3.43Å; H30-C33 PolarHBondContact O-N 3.37Å; H30-V34 WeakPolarHBondContact O-CB 3.39Å; H30-V34 PolarHBondContact O-N 3.35Å; H30-Y38 PolarHBondContact CE1-OH 3.44Å; H30-Y38 VanDerWaalsContact CE1-OH 3.29Å; H30-Y38 PolarHBondContact NE2-OH 3.28Å |
| 31 | R | 98.2 | Very high | 96.9 | Very high | 214 Ų | 214 | 95.1 Ų | 95.1 | 81% | 0.808 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.9 | -31.2 | 178.4 | -74.8 | -178.3 | -179.1 | -148.3 | 1.6 | 114.1 | N27 A28 C29 | N27-R31 WeakPolarHBondContact O-CB 3.43Å; N27-R31 WeakPolarHBondContact O-CG 3.49Å; N27-R31 PolarHBondContact O-N 2.89Å; N27-R31 VanDerWaalsContact O-N 3.1Å; A28-R31 PolarHBondContact O-N 2.93Å; C29-R31 PolarHBondContact O-N 3.08Å |
| 32 | K | 98.3 | Very high | 97 | Very high | 158 Ų | 158 | 101 Ų | 101 | 69% | 0.687 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -82.9 | -33.8 | -178.1 | -76 | 175.1 | -173.5 | -66.7 | 0 | 113.1 | A28 C29 H30 | A28-K32 WeakPolarHBondContact O-CB 3.42Å; A28-K32 VanDerWaalsContact O-CG 3.24Å; A28-K32 WeakPolarHBondContact O-CG 3.43Å; A28-K32 PolarHBondContact O-N 3.14Å; C29-K32 PolarHBondContact O-N 2.99Å; H30-K32 VanDerWaalsContact C-N 3.27Å; H30-K32 PolarHBondContact O-N 3.43Å |
| 33 | C | 98.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 98.7 Ų | 98.7 | 8% | 0.081 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -112 | -24.5 | -167.5 | -68.3 | 0 | 0 | 0 | 0 | 114.1 | C29 H30 E47 C50 L51 | C29-C33 VanDerWaalsContact O-CB 3.3Å; C29-C33 WeakPolarHBondContact O-CB 3.26Å; C29-C33 PolarHBondContact O-N 2.97Å; H30-C33 PolarHBondContact O-N 3.37Å; C33-E47 WeakPolarHBondContact O-CG 3.24Å; C33-C50 WeakPolarHBondContact CA-SG 3.26Å; C33-C50 HydrophobicContact CB-CB 3.61Å; C33-C50 WeakPolarHBondContact CB-SG 3.49Å; C33-C50 WeakPolarHBondContact SG-CB 3.47Å; C33-C50 PolarHBondContact SG-O 3.46Å; C33-C50 CovalentContact SG-SG 2.05Å; C33-C50 PolarHBondContact SG-SG 3.49Å; C33-L51 HydrophobicContact CB-CD2 3.87Å; C33-L51 HydrophobicContact CB-CG 4.03Å |
| 34 | V | 97.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 97 Ų | 97 | 9% | 0.091 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -109.8 | 110.1 | -177.7 | -173.8 | 0 | 0 | 0 | 0 | 109 | H30 Y38 L43 | H30-V34 WeakPolarHBondContact O-CB 3.39Å; H30-V34 PolarHBondContact O-N 3.35Å; V34-Y38 HydrophobicContact CG1-CD1 4.26Å; V34-Y38 HydrophobicContact CG1-CE1 3.45Å; V34-Y38 VanDerWaalsContact CG1-CE1 3.45Å; V34-L43 HydrophobicContact CG2-CD2 4.33Å |
| 35 | P | 95.6 | Very high | 96.9 | Very high | 64 Ų | 64 | 98.4 Ų | 98.4 | 42% | 0.416 | 49% | 0.494 | S | S | . | . | trans | -62.8 | 150.4 | 179.2 | -20.2 | 32.8 | 0 | 0 | 0 | 111.8 | H37 E47 | P35-H37 PolarHBondContact O-N 3.02Å; P35-E47 VanDerWaalsContact CD-OE1 3.25Å; P35-E47 WeakPolarHBondContact CD-OE1 3.47Å | ||
| 36 | P | 94.9 | Very high | 96.8 | Very high | 127 Ų | 127 | 100.1 Ų | 100.1 | 83% | 0.825 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -66.5 | -18.8 | 177.9 | 27.8 | -35.1 | 0 | 0 | 0 | 113.2 | Y38 | P36-Y38 WeakPolarHBondContact O-CD2 3.3Š|
| 37 | H | 95.1 | Very high | 96.8 | Very high | 137 Ų | 137 | 98.7 Ų | 98.7 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -94.5 | 99.3 | 174.2 | -176.7 | -58.8 | 0 | 0 | 0 | 110.2 | P35 K39 | P35-H37 PolarHBondContact O-N 3.02Å; H37-K39 PolarHBondContact O-N 3.07Å |
| 38 | Y | 94.5 | Very high | 96.8 | Very high | 135 Ų | 135 | 95.9 Ų | 95.9 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | trans | -77.1 | 110.6 | 175 | -56.9 | -84.6 | 0 | 0 | 0 | 110.3 | H30 V34 P36 | H30-Y38 PolarHBondContact CE1-OH 3.44Å; H30-Y38 VanDerWaalsContact CE1-OH 3.29Å; H30-Y38 PolarHBondContact NE2-OH 3.28Å; V34-Y38 HydrophobicContact CG1-CD1 4.26Å; V34-Y38 HydrophobicContact CG1-CE1 3.45Å; V34-Y38 VanDerWaalsContact CG1-CE1 3.45Å; P36-Y38 WeakPolarHBondContact O-CD2 3.3Å | ||
| 39 | K | 92.9 | Very high | 96.8 | Very high | 195 Ų | 195 | 97 Ų | 97 | 85% | 0.848 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -80.2 | -31.7 | 174.4 | -68.6 | -176.7 | 179.3 | 180 | 0 | 111.9 | H37 | H37-K39 PolarHBondContact O-N 3.07Š|
| 40 | E | 94.8 | Very high | 96.8 | Very high | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -148.3 | 165.6 | 179.4 | 60.7 | -164.4 | 173.6 | 0 | 0 | 109.6 | T44 | E40-T44 VanDerWaalsContact OE1-CG2 3.3Å; E40-T44 WeakPolarHBondContact OE1-CG2 3.45Å |
| 41 | A | 94.8 | Very high | 96.8 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 92% | 0.917 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -83.8 | -23.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 42 | E | 97.1 | Very high | 96.9 | Very high | 161 Ų | 161 | 92.5 Ų | 92.5 | 75% | 0.752 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -83.7 | 147.9 | 178.5 | -66 | -175 | -175.9 | 0 | 0 | 110.7 | T44 | E42-T44 PolarHBondContact O-N 3.42Š|
| 43 | L | 97.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 92.9 Ų | 92.9 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 124.3 | 171.6 | -65.9 | 175.2 | 0 | 0 | 0 | 109.2 | V34 E47 S48 L51 | V34-L43 HydrophobicContact CG2-CD2 4.33Å; L43-E47 HydrophobicContact CB-CB 4.37Å; L43-E47 HydrophobicContact CD2-CB 4.06Å; L43-S48 WeakPolarHBondContact CB-OG 3.48Å; L43-L51 HydrophobicContact CD1-CD1 3.76Å; L43-L51 HydrophobicContact CD2-CD1 4.38Å |
| 44 | T | 97.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 93 Ų | 93 | 33% | 0.325 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -61 | 155 | 168 | 63.5 | 0 | 0 | 0 | 0 | 109.7 | E40 E42 G46 E47 S48 | E40-T44 VanDerWaalsContact OE1-CG2 3.3Å; E40-T44 WeakPolarHBondContact OE1-CG2 3.45Å; E42-T44 PolarHBondContact O-N 3.42Å; T44-G46 PolarHBondContact O-N 2.97Å; T44-E47 WeakPolarHBondContact CB-OE2 3.27Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.43Å; T44-E47 PolarHBondContact N-OE2 3.36Å; T44-E47 PolarHBondContact O-N 3.24Å; T44-E47 VanDerWaalsContact OG1-CD 3.28Å; T44-E47 VanDerWaalsContact OG1-CG 3.26Å; T44-E47 WeakPolarHBondContact OG1-CG 3.45Å; T44-E47 PolarHBondContact OG1-N 3.06Å; T44-E47 PolarHBondContact OG1-OE2 3.38Å; T44-S48 PolarHBondContact O-N 3.36Å; T44-S48 PolarHBondContact O-OG 3.27Å |
| 45 | K | 97.5 | Very high | 96.9 | Very high | 182 Ų | 182 | 94.8 Ų | 94.8 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -52 | -34.6 | 173.1 | -175.4 | 179.1 | -179.9 | 179.7 | 0 | 112.4 | V49 | K45-V49 WeakPolarHBondContact O-CB 3.48Å; K45-V49 VanDerWaalsContact O-CG2 3.28Å; K45-V49 WeakPolarHBondContact O-CG2 3.28Å; K45-V49 PolarHBondContact O-N 2.83Å; K45-V49 VanDerWaalsContact O-N 3.12Å |
| 46 | G | 97.2 | Very high | 97.1 | Very high | 53 Ų | 53 | 94.7 Ų | 94.7 | 55% | 0.546 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T44 C50 | T44-G46 PolarHBondContact O-N 2.97Å; G46-C50 VanDerWaalsContact O-CB 3.3Å; G46-C50 WeakPolarHBondContact O-CB 3.35Å; G46-C50 PolarHBondContact O-N 3.27Å |
| 47 | E | 98.4 | Very high | 97.3 | Very high | 31 Ų | 31 | 95.7 Ų | 95.7 | 15% | 0.145 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64 | -46 | 176.9 | -71.3 | 161.4 | 145.3 | 0 | 0 | 111.2 | C33 P35 L43 T44 V49 C50 L51 | C33-E47 WeakPolarHBondContact O-CG 3.24Å; P35-E47 VanDerWaalsContact CD-OE1 3.25Å; P35-E47 WeakPolarHBondContact CD-OE1 3.47Å; L43-E47 HydrophobicContact CB-CB 4.37Å; L43-E47 HydrophobicContact CD2-CB 4.06Å; T44-E47 WeakPolarHBondContact CB-OE2 3.27Å; T44-E47 WeakPolarHBondContact CG2-OE2 3.43Å; T44-E47 PolarHBondContact N-OE2 3.36Å; T44-E47 PolarHBondContact O-N 3.24Å; T44-E47 VanDerWaalsContact OG1-CD 3.28Å; T44-E47 VanDerWaalsContact OG1-CG 3.26Å; T44-E47 WeakPolarHBondContact OG1-CG 3.45Å; T44-E47 PolarHBondContact OG1-N 3.06Å; T44-E47 PolarHBondContact OG1-OE2 3.38Å; E47-V49 PolarHBondContact O-N 3.19Å; E47-C50 WeakPolarHBondContact O-CB 3.3Å; E47-C50 PolarHBondContact O-N 3.21Å; E47-C50 VanDerWaalsContact O-N 3.16Å; E47-L51 WeakPolarHBondContact O-CG 3.25Å; E47-L51 PolarHBondContact O-N 3.03Å |
| 48 | S | 98.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 91.8 Ų | 91.8 | 30% | 0.301 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | L43 T44 C50 L51 D52 | L43-S48 WeakPolarHBondContact CB-OG 3.48Å; T44-S48 PolarHBondContact O-N 3.36Å; T44-S48 PolarHBondContact O-OG 3.27Å; S48-C50 VanDerWaalsContact C-N 3.29Å; S48-C50 PolarHBondContact O-N 3.38Å; S48-L51 PolarHBondContact O-N 3.18Å; S48-D52 PolarHBondContact O-N 2.82Å; S48-D52 VanDerWaalsContact O-N 3.07Å |
| 49 | V | 98.7 | Very high | 97.6 | Very high | 52 Ų | 52 | 89.2 Ų | 89.2 | 32% | 0.315 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | K45 E47 R53 | K45-V49 WeakPolarHBondContact O-CB 3.48Å; K45-V49 VanDerWaalsContact O-CG2 3.28Å; K45-V49 WeakPolarHBondContact O-CG2 3.28Å; K45-V49 PolarHBondContact O-N 2.83Å; K45-V49 VanDerWaalsContact O-N 3.12Å; E47-V49 PolarHBondContact O-N 3.19Å; V49-R53 WeakPolarHBondContact O-CD 3.42Å; V49-R53 VanDerWaalsContact O-CG 3.26Å; V49-R53 WeakPolarHBondContact O-CG 3.49Å; V49-R53 PolarHBondContact O-N 3.44Å |
| 50 | C | 98.7 | Very high | 97.9 | Very high | 44 Ų | 44 | 82.8 Ų | 82.8 | 30% | 0.297 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | C33 G46 E47 S48 R53 C54 | C33-C50 WeakPolarHBondContact CA-SG 3.26Å; C33-C50 HydrophobicContact CB-CB 3.61Å; C33-C50 WeakPolarHBondContact CB-SG 3.49Å; C33-C50 WeakPolarHBondContact SG-CB 3.47Å; C33-C50 PolarHBondContact SG-O 3.46Å; C33-C50 CovalentContact SG-SG 2.05Å; C33-C50 PolarHBondContact SG-SG 3.49Å; G46-C50 VanDerWaalsContact O-CB 3.3Å; G46-C50 WeakPolarHBondContact O-CB 3.35Å; G46-C50 PolarHBondContact O-N 3.27Å; E47-C50 WeakPolarHBondContact O-CB 3.3Å; E47-C50 PolarHBondContact O-N 3.21Å; E47-C50 VanDerWaalsContact O-N 3.16Å; S48-C50 VanDerWaalsContact C-N 3.29Å; S48-C50 PolarHBondContact O-N 3.38Å; C50-R53 PolarHBondContact O-N 3.23Å; C50-C54 VanDerWaalsContact O-CB 3.3Å; C50-C54 WeakPolarHBondContact O-CB 3.03Å; C50-C54 PolarHBondContact O-N 3.12Å |
| 51 | L | 98.7 | Very high | 98 | Very high | 43 Ų | 43 | 82.5 Ų | 82.5 | 23% | 0.225 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 179.4 | -73.3 | 169.3 | 0 | 0 | 0 | 111.2 | C29 C33 L43 E47 S48 R53 C54 V55 | C29-L51 HydrophobicContact CB-CD2 4.08Å; C33-L51 HydrophobicContact CB-CD2 3.87Å; C33-L51 HydrophobicContact CB-CG 4.03Å; L43-L51 HydrophobicContact CD1-CD1 3.76Å; L43-L51 HydrophobicContact CD2-CD1 4.38Å; E47-L51 WeakPolarHBondContact O-CG 3.25Å; E47-L51 PolarHBondContact O-N 3.03Å; S48-L51 PolarHBondContact O-N 3.18Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 2.96Å; L51-C54 WeakPolarHBondContact O-CB 3.28Å; L51-C54 PolarHBondContact O-N 3.48Å; L51-C54 VanDerWaalsContact O-N 3.1Å; L51-V55 WeakPolarHBondContact O-CG2 3.06Å; L51-V55 PolarHBondContact O-N 2.95Å |
| 52 | D | 98.7 | Very high | 98.1 | Very high | 116 Ų | 116 | 81.7 Ų | 81.7 | 62% | 0.62 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -55.8 | -48.5 | 176.1 | -66.5 | -27.8 | 0 | 0 | 0 | 111.6 | S48 C54 A56 | S48-D52 PolarHBondContact O-N 2.82Å; S48-D52 VanDerWaalsContact O-N 3.07Å; D52-C54 VanDerWaalsContact C-N 3.33Å; D52-C54 PolarHBondContact O-N 2.97Å; D52-A56 WeakPolarHBondContact O-CB 3.45Å; D52-A56 PolarHBondContact O-N 3.36Å; D52-A56 VanDerWaalsContact O-N 3.12Å |
| 53 | R | 98.8 | Very high | 98.1 | Very high | 166 Ų | 166 | 79.3 Ų | 79.3 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.3 | -36.6 | 177.6 | -71.5 | 171.5 | 177.2 | 180 | 0.3 | 112.2 | V49 C50 L51 K57 | V49-R53 WeakPolarHBondContact O-CD 3.42Å; V49-R53 VanDerWaalsContact O-CG 3.26Å; V49-R53 WeakPolarHBondContact O-CG 3.49Å; V49-R53 PolarHBondContact O-N 3.44Å; C50-R53 PolarHBondContact O-N 3.23Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 2.96Å; R53-K57 WeakPolarHBondContact O-CB 3.41Å; R53-K57 VanDerWaalsContact O-CG 3.24Å; R53-K57 WeakPolarHBondContact O-CG 3.3Å; R53-K57 PolarHBondContact O-N 3.12Å |
| 54 | C | 98.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 81.7 Ų | 81.7 | 10% | 0.101 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.3 | -48.8 | -179 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | C29 C50 L51 D52 A56 K57 Y58 | C29-C54 WeakPolarHBondContact CA-SG 3.02Å; C29-C54 HydrophobicContact CB-CB 3.81Å; C29-C54 WeakPolarHBondContact CB-SG 3.46Å; C29-C54 VanDerWaalsContact SG-C 3.5Å; C29-C54 WeakPolarHBondContact SG-CB 3.37Å; C29-C54 CovalentContact SG-SG 2.05Å; C29-C54 PolarHBondContact SG-SG 3.49Å; C50-C54 VanDerWaalsContact O-CB 3.3Å; C50-C54 WeakPolarHBondContact O-CB 3.03Å; C50-C54 PolarHBondContact O-N 3.12Å; L51-C54 WeakPolarHBondContact O-CB 3.28Å; L51-C54 PolarHBondContact O-N 3.48Å; L51-C54 VanDerWaalsContact O-N 3.1Å; D52-C54 VanDerWaalsContact C-N 3.33Å; D52-C54 PolarHBondContact O-N 2.97Å; C54-A56 PolarHBondContact O-N 3.02Å; C54-K57 PolarHBondContact O-N 3.48Å; C54-Y58 WeakPolarHBondContact O-CB 3.32Å; C54-Y58 PolarHBondContact O-N 3.32Å |
| 55 | V | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 84.6 Ų | 84.6 | 32% | 0.315 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 178.1 | 171 | 0 | 0 | 0 | 0 | 110.4 | M25 L51 K57 Y58 L59 | M25-V55 HydrophobicContact CE-CG1 4.28Å; M25-V55 HydrophobicContact SD-CB 4.44Å; M25-V55 HydrophobicContact SD-CG1 3.91Å; M25-V55 HydrophobicContact SD-CG2 4.33Å; L51-V55 WeakPolarHBondContact O-CG2 3.06Å; L51-V55 PolarHBondContact O-N 2.95Å; V55-K57 VanDerWaalsContact C-N 3.34Å; V55-K57 PolarHBondContact O-N 3.07Å; V55-Y58 PolarHBondContact O-N 3.03Å; V55-L59 HydrophobicContact CG1-CD1 4.11Å; V55-L59 WeakPolarHBondContact O-CG 3.24Å; V55-L59 PolarHBondContact O-N 3.33Å |
| 56 | A | 98.6 | Very high | 98 | Very high | 62 Ų | 62 | 77.5 Ų | 77.5 | 51% | 0.512 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D52 C54 D60 | D52-A56 WeakPolarHBondContact O-CB 3.45Å; D52-A56 PolarHBondContact O-N 3.36Å; D52-A56 VanDerWaalsContact O-N 3.12Å; C54-A56 PolarHBondContact O-N 3.02Å; A56-D60 PolarHBondContact O-N 2.85Å; A56-D60 VanDerWaalsContact O-N 3.13Å |
| 57 | K | 98.8 | Very high | 97.9 | Very high | 149 Ų | 149 | 80.6 Ų | 80.6 | 65% | 0.648 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68 | -37.1 | 177.3 | -74.1 | 175.5 | -179.4 | -175.6 | 0 | 113 | R53 C54 V55 L61 | R53-K57 WeakPolarHBondContact O-CB 3.41Å; R53-K57 VanDerWaalsContact O-CG 3.24Å; R53-K57 WeakPolarHBondContact O-CG 3.3Å; R53-K57 PolarHBondContact O-N 3.12Å; C54-K57 PolarHBondContact O-N 3.48Å; V55-K57 VanDerWaalsContact C-N 3.34Å; V55-K57 PolarHBondContact O-N 3.07Å; K57-L61 VanDerWaalsContact O-CB 3.3Å; K57-L61 WeakPolarHBondContact O-CB 3.45Å; K57-L61 PolarHBondContact O-N 3.26Å |
| 58 | Y | 98.6 | Very high | 97.9 | Very high | 55 Ų | 55 | 84.1 Ų | 84.1 | 22% | 0.216 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 179.6 | -172.1 | -80.6 | 0 | 0 | 0 | 110.4 | M21 R24 M25 A28 C54 V55 L61 H62 | M21-Y58 HydrophobicContact CG-CE1 4.17Å; R24-Y58 WeakPolarHBondContact CB-OH 3.09Å; M25-Y58 HydrophobicContact CB-CD1 3.73Å; M25-Y58 HydrophobicContact CB-CD2 4.31Å; M25-Y58 HydrophobicContact CB-CE1 3.62Å; M25-Y58 HydrophobicContact CB-CE2 4.2Å; M25-Y58 HydrophobicContact CB-CG 4.09Å; M25-Y58 HydrophobicContact CG-CD1 3.6Å; M25-Y58 HydrophobicContact CG-CD2 4.17Å; M25-Y58 HydrophobicContact CG-CE1 4.06Å; M25-Y58 HydrophobicContact CG-CG 3.68Å; M25-Y58 HydrophobicContact SD-CD1 3.88Å; M25-Y58 HydrophobicContact SD-CG 4.3Å; A28-Y58 HydrophobicContact CB-CD2 4.38Å; A28-Y58 HydrophobicContact CB-CE2 4.19Å; C54-Y58 WeakPolarHBondContact O-CB 3.32Å; C54-Y58 PolarHBondContact O-N 3.32Å; V55-Y58 PolarHBondContact O-N 3.03Å; Y58-L61 PolarHBondContact O-N 2.77Å; Y58-H62 VanDerWaalsContact O-CB 3.25Å; Y58-H62 WeakPolarHBondContact O-CB 3.43Å; Y58-H62 PolarHBondContact O-N 3.35Å |
| 59 | L | 98 | Very high | 97.8 | Very high | 80 Ų | 80 | 87.3 Ų | 87.3 | 42% | 0.419 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 178.7 | -66.1 | 174 | 0 | 0 | 0 | 112 | M21 M25 V55 L61 H62 E63 | M21-L59 HydrophobicContact CE-CD2 3.78Å; M21-L59 HydrophobicContact SD-CD2 4.05Å; M25-L59 HydrophobicContact SD-CD2 4.22Å; M25-L59 HydrophobicContact SD-CG 4.31Å; V55-L59 HydrophobicContact CG1-CD1 4.11Å; V55-L59 WeakPolarHBondContact O-CG 3.24Å; V55-L59 PolarHBondContact O-N 3.33Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-L61 PolarHBondContact O-N 3.16Å; L59-H62 PolarHBondContact O-N 2.93Å; L59-E63 WeakPolarHBondContact O-CB 3.35Å; L59-E63 PolarHBondContact O-N 2.05Å |
| 60 | D | 98.2 | Very high | 97.6 | Very high | 60 Ų | 60 | 89.1 Ų | 89.1 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.3 | 175.5 | 42.6 | 0 | 0 | 0 | 111.7 | A56 R64 | A56-D60 PolarHBondContact O-N 2.85Å; A56-D60 VanDerWaalsContact O-N 3.13Å; D60-R64 VanDerWaalsContact CG-NH2 3.3Å; D60-R64 VanDerWaalsContact O-CG 3.25Å; D60-R64 WeakPolarHBondContact O-CG 3.3Å; D60-R64 PolarHBondContact O-N 3.2Å; D60-R64 VanDerWaalsContact O-N 3.12Å; D60-R64 IonicContact OD1-CZ 3.28Å; D60-R64 VanDerWaalsContact OD1-CZ 3.28Å; D60-R64 IonicContact OD1-NE 2.79Å; D60-R64 PolarHBondContact OD1-NE 3.2Å; D60-R64 IonicContact OD1-NH2 2.96Å; D60-R64 PolarHBondContact OD1-NH2 3.2Å; D60-R64 IonicContact OD2-CZ 3.25Å; D60-R64 VanDerWaalsContact OD2-CZ 3.25Å; D60-R64 IonicContact OD2-NE 3.36Å; D60-R64 PolarHBondContact OD2-NE 2.73Å; D60-R64 IonicContact OD2-NH2 2.81Å; D60-R64 PolarHBondContact OD2-NH2 2.79Å |
| 61 | L | 97.8 | Very high | 97.5 | Very high | 115 Ų | 115 | 91.9 Ų | 91.9 | 60% | 0.602 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 175.2 | -178.4 | 64.5 | 0 | 0 | 0 | 112 | K57 Y58 L59 E63 R64 L65 | K57-L61 VanDerWaalsContact O-CB 3.3Å; K57-L61 WeakPolarHBondContact O-CB 3.45Å; K57-L61 PolarHBondContact O-N 3.26Å; Y58-L61 PolarHBondContact O-N 2.77Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-L61 PolarHBondContact O-N 3.16Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-E63 PolarHBondContact O-N 3.1Å; L61-R64 PolarHBondContact O-N 3.2Å; L61-L65 WeakPolarHBondContact O-CB 3.3Å; L61-L65 PolarHBondContact O-N 2.9Å |
| 62 | H | 96.6 | Very high | 97.3 | Very high | 93 Ų | 93 | 93.3 Ų | 93.3 | 43% | 0.431 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 179.5 | -176.9 | 61.1 | 0 | 0 | 0 | 111.3 | Y58 L59 L65 G66 | Y58-H62 VanDerWaalsContact O-CB 3.25Å; Y58-H62 WeakPolarHBondContact O-CB 3.43Å; Y58-H62 PolarHBondContact O-N 3.35Å; L59-H62 PolarHBondContact O-N 2.93Å; H62-L65 PolarHBondContact O-N 3.44Å; H62-G66 PolarHBondContact O-N 2.93Å |
| 63 | E | 97 | Very high | 97.1 | Very high | 112 Ų | 112 | 90.5 Ų | 90.5 | 52% | 0.523 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 177 | -166.1 | -165.1 | 161.6 | 0 | 0 | 112.2 | L59 L61 L65 G66 R67 | L59-E63 WeakPolarHBondContact O-CB 3.35Å; L59-E63 PolarHBondContact O-N 2.05Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-E63 PolarHBondContact O-N 3.1Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 2.89Å; E63-G66 PolarHBondContact O-N 2.86Å; E63-R67 PolarHBondContact O-N 3.37Å; E63-R67 IonicContact OE1-CZ 3.76Å; E63-R67 IonicContact OE1-NH1 2.64Å; E63-R67 PolarHBondContact OE1-NH1 3.48Å |
| 64 | R | 97.8 | Very high | 96.8 | Very high | 140 Ų | 140 | 85.9 Ų | 85.9 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 176.4 | -70.7 | 171.2 | -165.9 | -151.2 | 6 | 112 | D60 L61 R67 K68 | D60-R64 VanDerWaalsContact CG-NH2 3.3Å; D60-R64 VanDerWaalsContact O-CG 3.25Å; D60-R64 WeakPolarHBondContact O-CG 3.3Å; D60-R64 PolarHBondContact O-N 3.2Å; D60-R64 VanDerWaalsContact O-N 3.12Å; D60-R64 IonicContact OD1-CZ 3.28Å; D60-R64 VanDerWaalsContact OD1-CZ 3.28Å; D60-R64 IonicContact OD1-NE 2.79Å; D60-R64 PolarHBondContact OD1-NE 3.2Å; D60-R64 IonicContact OD1-NH2 2.96Å; D60-R64 PolarHBondContact OD1-NH2 3.2Å; D60-R64 IonicContact OD2-CZ 3.25Å; D60-R64 VanDerWaalsContact OD2-CZ 3.25Å; D60-R64 IonicContact OD2-NE 3.36Å; D60-R64 PolarHBondContact OD2-NE 2.73Å; D60-R64 IonicContact OD2-NH2 2.81Å; D60-R64 PolarHBondContact OD2-NH2 2.79Å; L61-R64 PolarHBondContact O-N 3.2Å; R64-R67 VanDerWaalsContact CG-NH2 3.35Å; R64-K68 PolarHBondContact O-N 3.44Å |
| 65 | L | 96.3 | Very high | 96.4 | Very high | 113 Ų | 113 | 90 Ų | 90 | 59% | 0.592 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 177.3 | -174.3 | 64.6 | 0 | 0 | 0 | 110.9 | L61 H62 E63 K68 L69 | L61-L65 WeakPolarHBondContact O-CB 3.3Å; L61-L65 PolarHBondContact O-N 2.9Å; H62-L65 PolarHBondContact O-N 3.44Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 2.89Å; L65-K68 PolarHBondContact O-N 3.27Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 PolarHBondContact O-N 3.32Å |
| 66 | G | 95.5 | Very high | 96.1 | Very high | 33 Ų | 33 | 91.7 Ų | 91.7 | 34% | 0.34 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57 | -51.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | H62 E63 K68 L69 T70 | H62-G66 PolarHBondContact O-N 2.93Å; E63-G66 PolarHBondContact O-N 2.86Å; G66-K68 VanDerWaalsContact C-N 3.31Å; G66-K68 PolarHBondContact O-N 3.04Å; G66-L69 PolarHBondContact O-N 2.94Å; G66-T70 PolarHBondContact O-N 2.05Å; G66-T70 PolarHBondContact O-OG1 3.2Å |
| 67 | R | 96.3 | Very high | 95.7 | Very high | 118 Ų | 118 | 95.2 Ų | 95.2 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -54.5 | -47.7 | 174.4 | -77.8 | -167.6 | -71.9 | -89.9 | -0.7 | 112.1 | E63 R64 L69 T70 E71 | E63-R67 PolarHBondContact O-N 3.37Å; E63-R67 IonicContact OE1-CZ 3.76Å; E63-R67 IonicContact OE1-NH1 2.64Å; E63-R67 PolarHBondContact OE1-NH1 3.48Å; R64-R67 VanDerWaalsContact CG-NH2 3.35Å; R67-L69 VanDerWaalsContact C-N 3.31Å; R67-L69 PolarHBondContact O-N 3.43Å; R67-T70 PolarHBondContact O-N 2.97Å; R67-E71 WeakPolarHBondContact O-CG 3.45Å; R67-E71 PolarHBondContact O-N 3.03Å |
| 68 | K | 96.7 | Very high | 95.3 | Very high | 105 Ų | 105 | 93.5 Ų | 93.5 | 46% | 0.457 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | -176.8 | -170.2 | 55 | 178.8 | 175.2 | 0 | 112.3 | R64 L65 G66 E71 L72 | R64-K68 PolarHBondContact O-N 3.44Å; L65-K68 PolarHBondContact O-N 3.27Å; G66-K68 VanDerWaalsContact C-N 3.31Å; G66-K68 PolarHBondContact O-N 3.04Å; K68-E71 VanDerWaalsContact CD-OE2 3.23Å; K68-E71 WeakPolarHBondContact CD-OE2 3.48Å; K68-E71 IonicContact NZ-OE2 2.81Å; K68-E71 PolarHBondContact NZ-OE2 3.4Å; K68-E71 PolarHBondContact O-N 3.06Å; K68-L72 HydrophobicContact CG-CD1 4.4Å; K68-L72 VanDerWaalsContact O-CG 3.31Å; K68-L72 WeakPolarHBondContact O-CG 3.24Å; K68-L72 PolarHBondContact O-N 3.23Å; K68-L72 VanDerWaalsContact O-N 3.12Å |
| 69 | L | 96.1 | Very high | 94.8 | Very high | 110 Ų | 110 | 96.3 Ų | 96.3 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 176.5 | -174.3 | 62.9 | 0 | 0 | 0 | 111 | L65 G66 R67 E71 L72 S73 | L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 PolarHBondContact O-N 3.32Å; G66-L69 PolarHBondContact O-N 2.94Å; R67-L69 VanDerWaalsContact C-N 3.31Å; R67-L69 PolarHBondContact O-N 3.43Å; L69-E71 PolarHBondContact O-N 2.89Å; L69-L72 PolarHBondContact O-N 3.26Å; L69-S73 PolarHBondContact O-N 2.88Å; L69-S73 PolarHBondContact O-OG 3.16Å; L69-S73 VanDerWaalsContact O-OG 3.08Å |
| 70 | T | 95.2 | Very high | 94.3 | Very high | 90 Ų | 90 | 100.2 Ų | 100.2 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 176.1 | -55 | 0 | 0 | 0 | 0 | 112.1 | G66 R67 L72 S73 V74 | G66-T70 PolarHBondContact O-N 2.05Å; G66-T70 PolarHBondContact O-OG1 3.2Å; R67-T70 PolarHBondContact O-N 2.97Å; T70-L72 VanDerWaalsContact C-N 3.3Å; T70-L72 PolarHBondContact O-N 3.04Å; T70-S73 PolarHBondContact O-N 3.49Å; T70-V74 WeakPolarHBondContact O-CG2 3.26Å; T70-V74 PolarHBondContact O-N 3.47Å |
| 71 | E | 95.7 | Very high | 93.7 | Very high | 103 Ų | 103 | 108.1 Ų | 108.1 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.8 | -45 | 175 | -73.6 | 171.2 | -164.3 | 0 | 0 | 111.9 | R67 K68 L69 Q75 | R67-E71 WeakPolarHBondContact O-CG 3.45Å; R67-E71 PolarHBondContact O-N 3.03Å; K68-E71 VanDerWaalsContact CD-OE2 3.23Å; K68-E71 WeakPolarHBondContact CD-OE2 3.48Å; K68-E71 IonicContact NZ-OE2 2.81Å; K68-E71 PolarHBondContact NZ-OE2 3.4Å; K68-E71 PolarHBondContact O-N 3.06Å; L69-E71 PolarHBondContact O-N 2.89Å; E71-Q75 WeakPolarHBondContact O-CB 3.25Å; E71-Q75 PolarHBondContact O-N 3.41Å; E71-Q75 VanDerWaalsContact O-N 3.1Å |
| 72 | L | 95.1 | Very high | 92.2 | Very high | 72 Ų | 72 | 113.7 Ų | 113.7 | 38% | 0.377 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 179.6 | -68.6 | 170.6 | 0 | 0 | 0 | 111.8 | K68 L69 T70 V74 Q75 D76 | K68-L72 HydrophobicContact CG-CD1 4.4Å; K68-L72 VanDerWaalsContact O-CG 3.31Å; K68-L72 WeakPolarHBondContact O-CG 3.24Å; K68-L72 PolarHBondContact O-N 3.23Å; K68-L72 VanDerWaalsContact O-N 3.12Å; L69-L72 PolarHBondContact O-N 3.26Å; T70-L72 VanDerWaalsContact C-N 3.3Å; T70-L72 PolarHBondContact O-N 3.04Å; L72-V74 PolarHBondContact O-N 3.44Å; L72-Q75 PolarHBondContact O-N 3.1Å; L72-D76 PolarHBondContact O-N 3.02Å |
| 73 | S | 94 | Very high | 92 | Very high | 57 Ų | 57 | 114.8 Ų | 114.8 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -42.2 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | L69 T70 D76 E77 | L69-S73 PolarHBondContact O-N 2.88Å; L69-S73 PolarHBondContact O-OG 3.16Å; L69-S73 VanDerWaalsContact O-OG 3.08Å; T70-S73 PolarHBondContact O-N 3.49Å; S73-D76 PolarHBondContact O-N 2.77Å; S73-E77 WeakPolarHBondContact O-CG 3.41Å; S73-E77 PolarHBondContact O-N 3.41Å |
| 74 | V | 93.3 | Very high | 91.8 | Very high | 69 Ų | 69 | 114.9 Ų | 114.9 | 42% | 0.418 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -43.4 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | T70 L72 D76 E77 E78 | T70-V74 WeakPolarHBondContact O-CG2 3.26Å; T70-V74 PolarHBondContact O-N 3.47Å; L72-V74 PolarHBondContact O-N 3.44Å; V74-D76 VanDerWaalsContact C-N 3.34Å; V74-D76 PolarHBondContact O-N 3.32Å; V74-E77 PolarHBondContact O-N 2.92Å; V74-E78 WeakPolarHBondContact O-CG 3.43Å; V74-E78 PolarHBondContact O-N 2.97Å |
| 75 | Q | 91.3 | Very high | 91.4 | Very high | 101 Ų | 101 | 113.5 Ų | 113.5 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.7 | -41.2 | 177.8 | -176.4 | -179.3 | -14.6 | 0 | 0 | 112.2 | E71 L72 E78 M79 | E71-Q75 WeakPolarHBondContact O-CB 3.25Å; E71-Q75 PolarHBondContact O-N 3.41Å; E71-Q75 VanDerWaalsContact O-N 3.1Å; L72-Q75 PolarHBondContact O-N 3.1Å; Q75-E78 PolarHBondContact O-N 3.48Å; Q75-M79 WeakPolarHBondContact O-CB 3.42Å; Q75-M79 PolarHBondContact O-N 3.34Å |
| 76 | D | 91.5 | Very high | 91.1 | Very high | 89 Ų | 89 | 113.5 Ų | 113.5 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.8 | -41.7 | 177.8 | -73.6 | -12.8 | 0 | 0 | 0 | 111.3 | L72 S73 V74 E78 M79 M80 | L72-D76 PolarHBondContact O-N 3.02Å; S73-D76 PolarHBondContact O-N 2.77Å; V74-D76 VanDerWaalsContact C-N 3.34Å; V74-D76 PolarHBondContact O-N 3.32Å; D76-E78 VanDerWaalsContact C-N 3.35Å; D76-E78 PolarHBondContact O-N 2.79Å; D76-M79 PolarHBondContact O-N 2.9Å; D76-M80 WeakPolarHBondContact O-CB 3.3Å; D76-M80 VanDerWaalsContact O-CG 3.22Å; D76-M80 WeakPolarHBondContact O-CG 3.4Å; D76-M80 PolarHBondContact O-N 3.29Å |
| 77 | E | 90.3 | Very high | 90.9 | Very high | 135 Ų | 135 | 118.6 Ų | 118.6 | 63% | 0.631 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.9 | -40.4 | 174.4 | -73.5 | -178.4 | 172 | 0 | 0 | 112.5 | S73 V74 M80 R81 | S73-E77 WeakPolarHBondContact O-CG 3.41Å; S73-E77 PolarHBondContact O-N 3.41Å; V74-E77 PolarHBondContact O-N 2.92Å; E77-M80 PolarHBondContact O-N 3.33Å; E77-R81 WeakPolarHBondContact O-CG 3.49Å; E77-R81 PolarHBondContact O-N 3.07Å |
| 78 | E | 90.6 | Very high | 90.5 | Very high | 113 Ų | 113 | 118.6 Ų | 118.6 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.8 | -35.9 | 175.1 | -73.8 | -175.3 | 171.6 | 0 | 0 | 112.7 | V74 Q75 D76 | V74-E78 WeakPolarHBondContact O-CG 3.43Å; V74-E78 PolarHBondContact O-N 2.97Å; Q75-E78 PolarHBondContact O-N 3.48Å; D76-E78 VanDerWaalsContact C-N 3.35Å; D76-E78 PolarHBondContact O-N 2.79Å |
| 79 | M | 88.3 | Confident | 90.1 | Very high | 115 Ų | 115 | 119.6 Ų | 119.6 | 57% | 0.567 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.6 | -42.4 | 176.3 | -170 | -175.6 | -56 | 0 | 0 | 111.2 | Q75 D76 R81 K82 | Q75-M79 WeakPolarHBondContact O-CB 3.42Å; Q75-M79 PolarHBondContact O-N 3.34Å; D76-M79 PolarHBondContact O-N 2.9Å; M79-R81 PolarHBondContact O-N 3.35Å; M79-K82 PolarHBondContact O-N 3.17Å |
| 80 | M | 86.6 | Confident | 89.6 | Confident | 162 Ų | 162 | 120.3 Ų | 120.3 | 80% | 0.798 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.9 | -20.3 | 179 | -69.9 | -68.9 | -70.9 | 0 | 0 | 113.5 | D76 E77 | D76-M80 WeakPolarHBondContact O-CB 3.3Å; D76-M80 VanDerWaalsContact O-CG 3.22Å; D76-M80 WeakPolarHBondContact O-CG 3.4Å; D76-M80 PolarHBondContact O-N 3.29Å; E77-M80 PolarHBondContact O-N 3.33Å |
| 81 | R | 86.4 | Confident | 89.1 | Confident | 226 Ų | 226 | 122.8 Ų | 122.8 | 85% | 0.853 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -10.7 | 176.4 | -84.1 | 176.4 | 149 | -169.6 | -4.4 | 114.1 | E77 M79 | E77-R81 WeakPolarHBondContact O-CG 3.49Å; E77-R81 PolarHBondContact O-N 3.07Å; M79-R81 PolarHBondContact O-N 3.35Å |
| 82 | K | 66.5 | Low | 88.5 | Confident | 232 Ų | 232 | 124.6 Ų | 124.6 | 100% | 1.009 | 59% | 0.593 | S | S | * | * | trans | -98.7 | 0 | 178 | -69.2 | 176.2 | -176.5 | 171.5 | 0 | 110.8 | M79 | M79-K82 PolarHBondContact O-N 3.17Š|
Retrieved 82 of 82 residues in 123.4 ms
(Link to these results)