| 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 | 46.2 | Very low | 49.8 | Very low | 241 Ų | 241 | 161.7 Ų | 161.7 | 100% | 1.187 | 80% | 0.804 | S | S | * | * | 0 | 102.7 | 0 | -70.5 | 165.2 | 151.9 | 0 | 0 | 107.6 | |||||
| 2 | Q | 44.3 | Very low | 51.8 | Low | 195 Ų | 195 | 152.5 Ų | 152.5 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | -102.3 | 116.2 | 175.1 | -72.5 | -175 | 61 | 0 | 0 | 108.4 | G4 | Q2-G4 PolarHBondContact O-N 3.37Š| ||
| 3 | P | 45.7 | Very low | 54.1 | Low | 124 Ų | 124 | 149.5 Ų | 149.5 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -80.2 | 100.7 | 166.7 | 29.8 | -26.2 | 0 | 0 | 0 | 108.5 | Q5 | P3-Q5 PolarHBondContact O-N 3.15Š| ||
| 4 | G | 46.3 | Very low | 56.3 | Low | 63 Ų | 63 | 145.9 Ų | 145.9 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | trans | -64.7 | 121 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q2 L6 | Q2-G4 PolarHBondContact O-N 3.37Å; G4-L6 PolarHBondContact O-N 3.36Å | ||
| 5 | Q | 47 | Very low | 58.4 | Low | 177 Ų | 177 | 140.9 Ų | 140.9 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | trans | -48.1 | 97.3 | 171.3 | -70.7 | -78.5 | -20.3 | 0 | 0 | 111.4 | P3 | P3-Q5 PolarHBondContact O-N 3.15Š| ||
| 6 | L | 52.5 | Low | 60.4 | Low | 163 Ų | 163 | 135.3 Ų | 135.3 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | trans | -105.1 | 26.9 | 172.7 | -76.7 | -173.8 | 0 | 0 | 0 | 113 | G4 R8 | G4-L6 PolarHBondContact O-N 3.36Å; L6-R8 PolarHBondContact O-N 3.25Å; L6-R8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | R | 41.5 | Very low | 62.2 | Low | 203 Ų | 203 | 130.2 Ų | 130.2 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | trans | -82.7 | 93.8 | 165.4 | -159.4 | 163.6 | -164.9 | 90 | 1.1 | 107.8 | E9 | R7-E9 PolarHBondContact O-N 3.07Š| ||
| 8 | R | 46.8 | Very low | 63.8 | Low | 238 Ų | 238 | 128.4 Ų | 128.4 | 90% | 0.898 | 66% | 0.658 | S | S | * | * | trans | -50 | 104 | 169.3 | -69.4 | -174.6 | -163.3 | 95.7 | 1.1 | 108.7 | L6 Q10 | L6-R8 PolarHBondContact O-N 3.25Å; L6-R8 VanDerWaalsContact O-N 3.14Å; R8-Q10 PolarHBondContact O-N 3.49Å | ||
| 9 | E | 53.3 | Low | 65.3 | Low | 99 Ų | 99 | 129.4 Ų | 129.4 | 46% | 0.463 | 66% | 0.657 | S | S | . | * | trans | -73 | 111 | 173 | -59.8 | -57.7 | 150 | 0 | 0 | 107.6 | R7 R63 | R7-E9 PolarHBondContact O-N 3.07Å; E9-R63 IonicContact OE1-NH1 3.34Å; E9-R63 PolarHBondContact OE1-NH1 2.75Å; E9-R63 IonicContact OE2-CZ 3.49Å; E9-R63 IonicContact OE2-NH1 2.61Å; E9-R63 PolarHBondContact OE2-NH1 2.9Å; E9-R63 IonicContact OE2-NH2 3.81Å | ||
| 10 | Q | 60.8 | Low | 66.6 | Low | 169 Ų | 169 | 124.3 Ų | 124.3 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | trans | -55.7 | 138.6 | 173.9 | -156.5 | 150.4 | 49.1 | 0 | 0 | 108.7 | R8 I12 | R8-Q10 PolarHBondContact O-N 3.49Å; Q10-I12 PolarHBondContact O-N 3.24Å | ||
| 11 | P | 63.4 | Low | 67.9 | Low | 107 Ų | 107 | 121.8 Ų | 121.8 | 70% | 0.695 | 62% | 0.619 | S | S | * | * | trans | -56.9 | 114 | -176.9 | 19.4 | -30.6 | 0 | 0 | 0 | 109.7 | Q13 | P11-Q13 PolarHBondContact O-N 3.31Š| ||
| 12 | I | 73.4 | Confident | 70.2 | Confident | 51 Ų | 51 | 114.6 Ų | 114.6 | 26% | 0.262 | 59% | 0.585 | S | S | . | * | trans | -69.8 | 116.5 | 178.4 | -62.7 | 116 | 0 | 0 | 0 | 107.6 | Q10 I17 I60 | Q10-I12 PolarHBondContact O-N 3.24Å; I12-I17 HydrophobicContact CG2-CD1 3.66Å; I12-I17 HydrophobicContact CG2-CG1 3.52Å; I12-I60 HydrophobicContact CB-CD1 4.47Å; I12-I60 HydrophobicContact CD1-CB 4.49Å; I12-I60 HydrophobicContact CD1-CD1 4.42Å; I12-I60 HydrophobicContact CD1-CG1 3.8Å; I12-I60 HydrophobicContact CD1-CG2 4.09Å; I12-I60 HydrophobicContact CG1-CD1 4.09Å; I12-I60 HydrophobicContact CG1-CG1 4.02Å; I12-I60 HydrophobicContact CG2-CD1 3.7Å; I12-I60 HydrophobicContact CG2-CG1 4.38Å; I12-I60 HydrophobicContact CG2-CG2 4.37Å | ||
| 13 | Q | 82 | Confident | 72.5 | Confident | 114 Ų | 114 | 108 Ų | 108 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | trans | -72.7 | 132.8 | 177.4 | -64.3 | -67.8 | -27 | 0 | 0 | 109.6 | P11 S15 S16 I17 | P11-Q13 PolarHBondContact O-N 3.31Å; Q13-S15 PolarHBondContact O-N 3.47Å; Q13-S15 VanDerWaalsContact O-N 3.17Å; Q13-S16 WeakPolarHBondContact O-CB 3.3Å; Q13-S16 PolarHBondContact O-N 2.95Å; Q13-I17 PolarHBondContact O-N 3.29Å | ||
| 14 | P | 85.6 | Confident | 74.9 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 64% | 0.643 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.5 | -29.5 | 177.5 | 24.5 | -33.8 | 0 | 0 | 0 | 112.1 | S16 I17 Q18 | P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.34Å; P14-I17 WeakPolarHBondContact O-CB 3.48Å; P14-I17 PolarHBondContact O-N 3.16Å; P14-Q18 PolarHBondContact O-N 3.36Å |
| 15 | S | 87.8 | Confident | 77.2 | Confident | 71 Ų | 71 | 103.3 Ų | 103.3 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 173.2 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | Q13 K19 | Q13-S15 PolarHBondContact O-N 3.47Å; Q13-S15 VanDerWaalsContact O-N 3.17Å; S15-K19 VanDerWaalsContact O-CG 3.31Å; S15-K19 WeakPolarHBondContact O-CG 3.25Å; S15-K19 PolarHBondContact O-N 2.92Å |
| 16 | S | 89.2 | Confident | 79.5 | Confident | 51 Ų | 51 | 101.3 Ų | 101.3 | 36% | 0.357 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.3 | -38.3 | 176.1 | -166 | 0 | 0 | 0 | 0 | 111.3 | Q13 P14 K19 M20 | Q13-S16 WeakPolarHBondContact O-CB 3.3Å; Q13-S16 PolarHBondContact O-N 2.95Å; P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.34Å; S16-K19 PolarHBondContact O-N 3.47Å; S16-M20 WeakPolarHBondContact O-CG 3.35Å; S16-M20 PolarHBondContact O-N 3.37Å; S16-M20 VanDerWaalsContact O-N 3.08Å |
| 17 | I | 90.9 | Very high | 81.6 | Confident | 48 Ų | 48 | 93.7 Ų | 93.7 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 174.1 | -60.7 | 174.9 | 0 | 0 | 0 | 109.3 | I12 Q13 P14 K19 M20 L21 L57 I60 | I12-I17 HydrophobicContact CG2-CD1 3.66Å; I12-I17 HydrophobicContact CG2-CG1 3.52Å; Q13-I17 PolarHBondContact O-N 3.29Å; P14-I17 WeakPolarHBondContact O-CB 3.48Å; P14-I17 PolarHBondContact O-N 3.16Å; I17-K19 PolarHBondContact O-N 2.88Å; I17-M20 WeakPolarHBondContact O-CB 3.35Å; I17-M20 PolarHBondContact O-N 3.18Å; I17-L21 HydrophobicContact CG2-CD1 4.34Å; I17-L21 WeakPolarHBondContact O-CG 3.17Å; I17-L21 PolarHBondContact O-N 2.76Å; I17-L57 HydrophobicContact CG2-CD2 3.72Å; I17-I60 HydrophobicContact CD1-CG2 4.08Å; I17-I60 HydrophobicContact CG1-CD1 4.37Å |
| 18 | Q | 92 | Very high | 84.1 | Confident | 98 Ų | 98 | 87.6 Ų | 87.6 | 46% | 0.458 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 177.8 | -171.9 | 60.7 | 53.9 | 0 | 0 | 112 | P14 M20 L21 D22 | P14-Q18 PolarHBondContact O-N 3.36Å; Q18-M20 PolarHBondContact O-N 3.27Å; Q18-L21 WeakPolarHBondContact O-CA 3.47Å; Q18-L21 WeakPolarHBondContact O-CB 3.24Å; Q18-L21 PolarHBondContact O-N 3.39Å; Q18-D22 PolarHBondContact NE2-OD1 3.45Å; Q18-D22 VanDerWaalsContact O-CG 3.24Å; Q18-D22 PolarHBondContact O-N 3.26Å |
| 19 | K | 91.9 | Very high | 86.4 | Confident | 147 Ų | 147 | 82.1 Ų | 82.1 | 64% | 0.639 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -56.5 | -38.5 | 174.9 | -75.6 | 175.9 | -178.7 | -173.3 | 0 | 112.6 | S15 S16 I17 E23 | S15-K19 VanDerWaalsContact O-CG 3.31Å; S15-K19 WeakPolarHBondContact O-CG 3.25Å; S15-K19 PolarHBondContact O-N 2.92Å; S16-K19 PolarHBondContact O-N 3.47Å; I17-K19 PolarHBondContact O-N 2.88Å; K19-E23 WeakPolarHBondContact O-CB 3.3Å; K19-E23 PolarHBondContact O-N 3.33Å |
| 20 | M | 91.2 | Very high | 88.2 | Confident | 28 Ų | 28 | 78.7 Ų | 78.7 | 14% | 0.138 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.4 | -33.8 | 176 | -69 | -177.8 | 67.4 | 0 | 0 | 112.5 | S16 I17 Q18 N24 N53 Y56 L57 | S16-M20 WeakPolarHBondContact O-CG 3.35Å; S16-M20 PolarHBondContact O-N 3.37Å; S16-M20 VanDerWaalsContact O-N 3.08Å; I17-M20 WeakPolarHBondContact O-CB 3.35Å; I17-M20 PolarHBondContact O-N 3.18Å; Q18-M20 PolarHBondContact O-N 3.27Å; M20-N24 WeakPolarHBondContact O-CB 3.4Å; M20-N24 PolarHBondContact O-N 3.39Å; M20-N24 PolarHBondContact O-ND2 2.64Å; M20-N24 PolarHBondContact O-OD1 3.13Å; M20-N53 HydrophobicContact CE-CB 3.74Å; M20-N53 WeakPolarHBondContact CE-OD1 3.49Å; M20-Y56 HydrophobicContact CE-CD1 3.24Å; M20-Y56 HydrophobicContact CE-CE1 3.99Å; M20-Y56 HydrophobicContact CE-CG 3.97Å; M20-Y56 HydrophobicContact SD-CD1 3.29Å; M20-Y56 WeakPolarHBondContact SD-CD1 3.28Å; M20-Y56 HydrophobicContact SD-CE1 3.38Å; M20-Y56 WeakPolarHBondContact SD-CE1 3.35Å; M20-Y56 HydrophobicContact SD-CG 4.45Å; M20-L57 HydrophobicContact CB-CD2 4.41Å; M20-L57 HydrophobicContact CE-CG 4.49Å |
| 21 | L | 93.6 | Very high | 89.8 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 173.2 | -65.2 | 174.7 | 0 | 0 | 0 | 111.4 | I17 Q18 E23 N24 V25 L57 | I17-L21 HydrophobicContact CG2-CD1 4.34Å; I17-L21 WeakPolarHBondContact O-CG 3.17Å; I17-L21 PolarHBondContact O-N 2.76Å; Q18-L21 WeakPolarHBondContact O-CA 3.47Å; Q18-L21 WeakPolarHBondContact O-CB 3.24Å; Q18-L21 PolarHBondContact O-N 3.39Å; L21-E23 VanDerWaalsContact C-N 3.3Å; L21-E23 PolarHBondContact O-N 3.48Å; L21-N24 WeakPolarHBondContact O-CB 3.34Å; L21-N24 PolarHBondContact O-N 3.5Å; L21-N24 VanDerWaalsContact O-N 3.16Å; L21-V25 PolarHBondContact O-N 3.37Å; L21-V25 VanDerWaalsContact O-N 3.1Å; L21-L57 HydrophobicContact CD2-CD1 3.71Å |
| 22 | D | 94.3 | Very high | 91.1 | Very high | 89 Ų | 89 | 70.4 Ų | 70.4 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.8 | -59.3 | -24.5 | 0 | 0 | 0 | 110.8 | Q18 V25 R26 | Q18-D22 PolarHBondContact NE2-OD1 3.45Å; Q18-D22 VanDerWaalsContact O-CG 3.24Å; Q18-D22 PolarHBondContact O-N 3.26Å; D22-V25 PolarHBondContact O-N 3.38Å; D22-R26 PolarHBondContact O-N 3.07Å; D22-R26 VanDerWaalsContact O-N 3.12Å |
| 23 | E | 93.9 | Very high | 92 | Very high | 57 Ų | 57 | 70.2 Ų | 70.2 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 174.8 | 177.7 | 62.6 | 179.6 | 0 | 0 | 111.8 | K19 L21 V25 R26 L27 | K19-E23 WeakPolarHBondContact O-CB 3.3Å; K19-E23 PolarHBondContact O-N 3.33Å; L21-E23 VanDerWaalsContact C-N 3.3Å; L21-E23 PolarHBondContact O-N 3.48Å; E23-V25 VanDerWaalsContact C-N 3.31Å; E23-V25 PolarHBondContact O-N 3.49Å; E23-R26 VanDerWaalsContact CD-NH2 3.26Å; E23-R26 WeakPolarHBondContact O-CB 3.39Å; E23-R26 PolarHBondContact O-N 3.06Å; E23-R26 IonicContact OE1-CZ 3.59Å; E23-R26 IonicContact OE1-NE 3.78Å; E23-R26 IonicContact OE1-NH2 2.64Å; E23-R26 PolarHBondContact OE1-NH2 3.35Å; E23-R26 IonicContact OE2-CZ 3.36Å; E23-R26 IonicContact OE2-NE 2.76Å; E23-R26 PolarHBondContact OE2-NE 2.78Å; E23-R26 IonicContact OE2-NH2 3.13Å; E23-R26 PolarHBondContact OE2-NH2 3.28Å; E23-R26 VanDerWaalsContact OE2-NH2 3.13Å; E23-L27 HydrophobicContact CG-CD1 3.94Å; E23-L27 HydrophobicContact CG-CG 4.25Å; E23-L27 WeakPolarHBondContact O-CB 3.21Å; E23-L27 VanDerWaalsContact O-CG 3.25Å; E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.38Å |
| 24 | N | 95.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 5% | 0.053 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 175.8 | -71.5 | -10.9 | 0 | 0 | 0 | 111.9 | M20 L21 R26 L27 I28 L50 N53 L57 | M20-N24 WeakPolarHBondContact O-CB 3.4Å; M20-N24 PolarHBondContact O-N 3.39Å; M20-N24 PolarHBondContact O-ND2 2.64Å; M20-N24 PolarHBondContact O-OD1 3.13Å; L21-N24 WeakPolarHBondContact O-CB 3.34Å; L21-N24 PolarHBondContact O-N 3.5Å; L21-N24 VanDerWaalsContact O-N 3.16Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 2.92Å; N24-L27 PolarHBondContact O-N 3.46Å; N24-I28 WeakPolarHBondContact O-CB 3.27Å; N24-I28 WeakPolarHBondContact O-CD1 3.3Å; N24-I28 VanDerWaalsContact O-CG1 3.23Å; N24-I28 WeakPolarHBondContact O-CG1 3.27Å; N24-I28 PolarHBondContact O-N 2.98Å; N24-L50 HydrophobicContact CB-CD1 3.86Å; N24-N53 WeakPolarHBondContact OD1-CB 3.07Å; N24-N53 PolarHBondContact OD1-ND2 2.85Å; N24-L57 WeakPolarHBondContact ND2-CD1 3.33Å |
| 25 | V | 95.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 67.8 Ų | 67.8 | 47% | 0.473 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L21 D22 E23 L27 I28 H29 | L21-V25 PolarHBondContact O-N 3.37Å; L21-V25 VanDerWaalsContact O-N 3.1Å; D22-V25 PolarHBondContact O-N 3.38Å; E23-V25 VanDerWaalsContact C-N 3.31Å; E23-V25 PolarHBondContact O-N 3.49Å; V25-L27 PolarHBondContact O-N 2.93Å; V25-I28 PolarHBondContact O-N 3.44Å; V25-H29 PolarHBondContact O-N 3.47Å |
| 26 | R | 95.4 | Very high | 92.6 | Very high | 135 Ų | 135 | 73.7 Ų | 73.7 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.5 | -168.6 | -172.6 | 70 | 80.8 | -0.1 | 112.1 | D22 E23 N24 H29 S30 | D22-R26 PolarHBondContact O-N 3.07Å; D22-R26 VanDerWaalsContact O-N 3.12Å; E23-R26 VanDerWaalsContact CD-NH2 3.26Å; E23-R26 WeakPolarHBondContact O-CB 3.39Å; E23-R26 PolarHBondContact O-N 3.06Å; E23-R26 IonicContact OE1-CZ 3.59Å; E23-R26 IonicContact OE1-NE 3.78Å; E23-R26 IonicContact OE1-NH2 2.64Å; E23-R26 PolarHBondContact OE1-NH2 3.35Å; E23-R26 IonicContact OE2-CZ 3.36Å; E23-R26 IonicContact OE2-NE 2.76Å; E23-R26 PolarHBondContact OE2-NE 2.78Å; E23-R26 IonicContact OE2-NH2 3.13Å; E23-R26 PolarHBondContact OE2-NH2 3.28Å; E23-R26 VanDerWaalsContact OE2-NH2 3.13Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 2.92Å; R26-H29 PolarHBondContact O-N 3.38Å; R26-S30 VanDerWaalsContact O-CB 3.3Å; R26-S30 WeakPolarHBondContact O-CB 3.31Å; R26-S30 PolarHBondContact O-N 3.38Å |
| 27 | L | 95.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 178 | -70.4 | 170.7 | 0 | 0 | 0 | 111.4 | E23 N24 V25 S30 L31 L46 V49 L50 | E23-L27 HydrophobicContact CG-CD1 3.94Å; E23-L27 HydrophobicContact CG-CG 4.25Å; E23-L27 WeakPolarHBondContact O-CB 3.21Å; E23-L27 VanDerWaalsContact O-CG 3.25Å; E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.38Å; N24-L27 PolarHBondContact O-N 3.46Å; V25-L27 PolarHBondContact O-N 2.93Å; L27-S30 PolarHBondContact O-N 3.48Å; L27-L31 WeakPolarHBondContact O-CB 3.42Å; L27-L31 PolarHBondContact O-N 3.13Å; L27-L46 HydrophobicContact CD2-CD2 3.47Å; L27-L46 VanDerWaalsContact CD2-CD2 3.47Å; L27-V49 HydrophobicContact CD1-CB 4.13Å; L27-V49 HydrophobicContact CD1-CG1 3.62Å; L27-V49 HydrophobicContact CD2-CB 4.37Å; L27-V49 HydrophobicContact CD2-CG1 4.26Å; L27-L50 HydrophobicContact CB-CB 4.43Å; L27-L50 HydrophobicContact CB-CD1 4.38Å; L27-L50 HydrophobicContact CD1-CB 4.21Å |
| 28 | I | 94.3 | Very high | 92.3 | Very high | 75 Ų | 75 | 77 Ų | 77 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 177.5 | -70 | 164 | 0 | 0 | 0 | 110.7 | N24 V25 S30 L31 M32 L50 | N24-I28 WeakPolarHBondContact O-CB 3.27Å; N24-I28 WeakPolarHBondContact O-CD1 3.3Å; N24-I28 VanDerWaalsContact O-CG1 3.23Å; N24-I28 WeakPolarHBondContact O-CG1 3.27Å; N24-I28 PolarHBondContact O-N 2.98Å; V25-I28 PolarHBondContact O-N 3.44Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.45Å; I28-L31 PolarHBondContact O-N 2.88Å; I28-M32 HydrophobicContact CG2-SD 4.06Å; I28-M32 VanDerWaalsContact O-CG 3.27Å; I28-M32 WeakPolarHBondContact O-CG 3.17Å; I28-M32 PolarHBondContact O-N 3.36Å; I28-L50 HydrophobicContact CD1-CD1 4.44Å; I28-L50 HydrophobicContact CG1-CD1 4.15Å; I28-L50 HydrophobicContact CG1-CD2 3.81Å |
| 29 | H | 95 | Very high | 92.1 | Very high | 123 Ų | 123 | 73.3 Ų | 73.3 | 57% | 0.569 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 177.2 | -69 | 172.7 | 0 | 0 | 0 | 112.1 | V25 R26 M32 A33 | V25-H29 PolarHBondContact O-N 3.47Å; R26-H29 PolarHBondContact O-N 3.38Å; H29-M32 PolarHBondContact O-N 2.97Å; H29-A33 PolarHBondContact O-N 2.94Å; H29-A33 VanDerWaalsContact O-N 3.07Å |
| 30 | S | 92.3 | Very high | 91.8 | Very high | 28 Ų | 28 | 71.3 Ų | 71.3 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.7 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | R26 L27 I28 M32 A33 H34 L46 | R26-S30 VanDerWaalsContact O-CB 3.3Å; R26-S30 WeakPolarHBondContact O-CB 3.31Å; R26-S30 PolarHBondContact O-N 3.38Å; L27-S30 PolarHBondContact O-N 3.48Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.45Å; S30-M32 PolarHBondContact O-N 3.31Å; S30-A33 WeakPolarHBondContact O-CB 3.41Å; S30-A33 PolarHBondContact O-N 3.16Å; S30-A33 VanDerWaalsContact O-N 3.13Å; S30-H34 PolarHBondContact O-N 3.17Å; S30-H34 PolarHBondContact O-ND1 3.21Å; S30-H34 PolarHBondContact OG-CE1 3.04Å; S30-H34 VanDerWaalsContact OG-CE1 3.25Å; S30-H34 PolarHBondContact OG-ND1 3.19Å; S30-L46 VanDerWaalsContact OG-CD1 3.25Å; S30-L46 WeakPolarHBondContact OG-CD1 3.4Å |
| 31 | L | 93.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 78.1 Ų | 78.1 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 179.1 | 179.2 | 60 | 0 | 0 | 0 | 110.8 | L27 I28 A33 H34 Q35 A43 L46 E47 | L27-L31 WeakPolarHBondContact O-CB 3.42Å; L27-L31 PolarHBondContact O-N 3.13Å; I28-L31 PolarHBondContact O-N 2.88Å; L31-A33 VanDerWaalsContact C-N 3.28Å; L31-A33 PolarHBondContact O-N 3Å; L31-H34 PolarHBondContact O-N 2.83Å; L31-Q35 HydrophobicContact CD1-CG 4.01Å; L31-Q35 HydrophobicContact CG-CG 4.37Å; L31-Q35 WeakPolarHBondContact O-CB 3.47Å; L31-Q35 VanDerWaalsContact O-CG 3.3Å; L31-Q35 WeakPolarHBondContact O-CG 3.47Å; L31-Q35 PolarHBondContact O-N 3.23Å; L31-A43 HydrophobicContact CD1-CB 3.63Å; L31-A43 WeakPolarHBondContact CD1-O 3.25Å; L31-L46 HydrophobicContact CB-CB 4.35Å; L31-L46 HydrophobicContact CB-CD1 4.47Å; L31-L46 HydrophobicContact CD1-CB 4.3Å; L31-E47 HydrophobicContact CD1-CG 3.77Å; L31-E47 HydrophobicContact CD2-CG 3.62Å; L31-E47 HydrophobicContact CG-CG 4.36Å |
| 32 | M | 91.8 | Very high | 91.5 | Very high | 83 Ų | 83 | 79 Ų | 79 | 41% | 0.409 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 175.1 | -70 | 174 | 70.2 | 0 | 0 | 112.2 | I28 H29 S30 R36 | I28-M32 HydrophobicContact CG2-SD 4.06Å; I28-M32 VanDerWaalsContact O-CG 3.27Å; I28-M32 WeakPolarHBondContact O-CG 3.17Å; I28-M32 PolarHBondContact O-N 3.36Å; H29-M32 PolarHBondContact O-N 2.97Å; S30-M32 PolarHBondContact O-N 3.31Å; M32-R36 WeakPolarHBondContact O-CD 3.48Å; M32-R36 WeakPolarHBondContact O-CG 3.23Å; M32-R36 PolarHBondContact O-N 2.85Å |
| 33 | A | 91.7 | Very high | 91.2 | Very high | 47 Ų | 47 | 75.1 Ų | 75.1 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H29 S30 L31 R36 V37 | H29-A33 PolarHBondContact O-N 2.94Å; H29-A33 VanDerWaalsContact O-N 3.07Å; S30-A33 WeakPolarHBondContact O-CB 3.41Å; S30-A33 PolarHBondContact O-N 3.16Å; S30-A33 VanDerWaalsContact O-N 3.13Å; L31-A33 VanDerWaalsContact C-N 3.28Å; L31-A33 PolarHBondContact O-N 3Å; A33-R36 PolarHBondContact O-N 3.25Å; A33-V37 PolarHBondContact O-N 3.39Å |
| 34 | H | 89.6 | Confident | 91.1 | Very high | 55 Ų | 55 | 76.2 Ų | 76.2 | 26% | 0.255 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.6 | -37.2 | -178.7 | -72.6 | 82.4 | 0 | 0 | 0 | 112.3 | S30 L31 R36 V37 G38 A39 E42 A43 L46 | S30-H34 PolarHBondContact O-N 3.17Å; S30-H34 PolarHBondContact O-ND1 3.21Å; S30-H34 PolarHBondContact OG-CE1 3.04Å; S30-H34 VanDerWaalsContact OG-CE1 3.25Å; S30-H34 PolarHBondContact OG-ND1 3.19Å; L31-H34 PolarHBondContact O-N 2.83Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 PolarHBondContact O-N 2.94Å; H34-V37 WeakPolarHBondContact O-CG2 3.44Å; H34-V37 PolarHBondContact O-N 3.44Å; H34-G38 PolarHBondContact O-N 3.28Å; H34-G38 VanDerWaalsContact O-N 3.16Å; H34-A39 HydrophobicContact CB-CB 4.04Å; H34-A39 PolarHBondContact O-N 3.12Å; H34-E42 HydrophobicContact CB-CB 4.47Å; H34-E42 WeakPolarHBondContact CD2-CB 3.46Å; H34-A43 HydrophobicContact CB-CB 4.37Å; H34-L46 HydrophobicContact CB-CD1 4.48Å |
| 35 | Q | 89.4 | Confident | 91 | Very high | 106 Ų | 106 | 80.8 Ų | 80.8 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 173.3 | -72.9 | 177.7 | -5.3 | 0 | 0 | 112 | L31 V37 G38 A43 E47 | L31-Q35 HydrophobicContact CD1-CG 4.01Å; L31-Q35 HydrophobicContact CG-CG 4.37Å; L31-Q35 WeakPolarHBondContact O-CB 3.47Å; L31-Q35 VanDerWaalsContact O-CG 3.3Å; L31-Q35 WeakPolarHBondContact O-CG 3.47Å; L31-Q35 PolarHBondContact O-N 3.23Å; Q35-V37 VanDerWaalsContact C-N 3.35Å; Q35-V37 PolarHBondContact O-N 3.38Å; Q35-G38 PolarHBondContact O-N 3.1Å; Q35-A43 HydrophobicContact CG-CB 4.16Å; Q35-E47 PolarHBondContact NE2-OE1 3.44Å |
| 36 | R | 88.6 | Confident | 90.8 | Very high | 196 Ų | 196 | 78.3 Ų | 78.3 | 74% | 0.74 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66 | -33.6 | 177.2 | -74.9 | 168 | -174.4 | 169.5 | 1.3 | 113.5 | M32 A33 H34 | M32-R36 WeakPolarHBondContact O-CD 3.48Å; M32-R36 WeakPolarHBondContact O-CG 3.23Å; M32-R36 PolarHBondContact O-N 2.85Å; A33-R36 PolarHBondContact O-N 3.25Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 PolarHBondContact O-N 2.94Å |
| 37 | V | 89.8 | Confident | 90.7 | Very high | 115 Ų | 115 | 76.1 Ų | 76.1 | 70% | 0.697 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -92.2 | -2.4 | 180 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | A33 H34 Q35 A39 | A33-V37 PolarHBondContact O-N 3.39Å; H34-V37 WeakPolarHBondContact O-CG2 3.44Å; H34-V37 PolarHBondContact O-N 3.44Å; Q35-V37 VanDerWaalsContact C-N 3.35Å; Q35-V37 PolarHBondContact O-N 3.38Å; V37-A39 HydrophobicContact CG2-CB 3.76Å |
| 38 | G | 85.1 | Confident | 90.7 | Very high | 54 Ų | 54 | 84.3 Ų | 84.3 | 56% | 0.557 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 19.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H34 Q35 V40 | H34-G38 PolarHBondContact O-N 3.28Å; H34-G38 VanDerWaalsContact O-N 3.16Å; Q35-G38 PolarHBondContact O-N 3.1Å; G38-V40 VanDerWaalsContact C-N 3.25Å; G38-V40 PolarHBondContact O-N 3.16Å |
| 39 | A | 86.9 | Confident | 90.7 | Very high | 20 Ų | 20 | 83 Ų | 83 | 17% | 0.165 | 42% | 0.424 | C | S | . | . | trans | -79.2 | 71.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | H34 V37 K41 E42 A43 | H34-A39 HydrophobicContact CB-CB 4.04Å; H34-A39 PolarHBondContact O-N 3.12Å; V37-A39 HydrophobicContact CG2-CB 3.76Å; A39-K41 VanDerWaalsContact C-N 3.32Å; A39-K41 PolarHBondContact O-N 3.42Å; A39-E42 HydrophobicContact CB-CB 4.37Å; A39-E42 WeakPolarHBondContact CB-OE2 3.39Å; A39-E42 PolarHBondContact O-N 3.38Å; A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.17Å | ||
| 40 | V | 85.2 | Confident | 90.6 | Very high | 104 Ų | 104 | 78.2 Ų | 78.2 | 63% | 0.63 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.4 | -39.1 | -172.6 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | G38 A43 V44 | G38-V40 VanDerWaalsContact C-N 3.25Å; G38-V40 PolarHBondContact O-N 3.16Å; V40-A43 PolarHBondContact O-N 2.91Å; V40-V44 HydrophobicContact CG1-CG2 4.32Å; V40-V44 VanDerWaalsContact O-CG2 3.27Å; V40-V44 WeakPolarHBondContact O-CG2 3.25Å; V40-V44 PolarHBondContact O-N 2.9Å |
| 41 | K | 88.5 | Confident | 90.8 | Very high | 172 Ų | 172 | 82.6 Ų | 82.6 | 75% | 0.748 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | -177.1 | -175.8 | -176.4 | 176.6 | -172.3 | 0 | 111.3 | A39 A43 V44 E45 | A39-K41 VanDerWaalsContact C-N 3.32Å; A39-K41 PolarHBondContact O-N 3.42Å; K41-A43 VanDerWaalsContact C-N 3.35Å; K41-V44 PolarHBondContact O-N 2.94Å; K41-E45 PolarHBondContact O-N 3.01Å |
| 42 | E | 89.3 | Confident | 90.9 | Very high | 91 Ų | 91 | 90.6 Ų | 90.6 | 43% | 0.425 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 177.7 | -65.8 | 73.7 | -164.1 | 0 | 0 | 110.8 | H34 A39 E45 L46 | H34-E42 HydrophobicContact CB-CB 4.47Å; H34-E42 WeakPolarHBondContact CD2-CB 3.46Å; A39-E42 HydrophobicContact CB-CB 4.37Å; A39-E42 WeakPolarHBondContact CB-OE2 3.39Å; A39-E42 PolarHBondContact O-N 3.38Å; E42-E45 PolarHBondContact O-N 3.33Å; E42-L46 VanDerWaalsContact O-CG 3.24Å; E42-L46 WeakPolarHBondContact O-CG 3.5Å; E42-L46 PolarHBondContact O-N 3.38Å |
| 43 | A | 89.9 | Confident | 91 | Very high | 6 Ų | 6 | 87.2 Ų | 87.2 | 5% | 0.05 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L31 H34 Q35 A39 V40 K41 E45 L46 E47 | L31-A43 HydrophobicContact CD1-CB 3.63Å; L31-A43 WeakPolarHBondContact CD1-O 3.25Å; H34-A43 HydrophobicContact CB-CB 4.37Å; Q35-A43 HydrophobicContact CG-CB 4.16Å; A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.17Å; V40-A43 PolarHBondContact O-N 2.91Å; K41-A43 VanDerWaalsContact C-N 3.35Å; A43-E45 VanDerWaalsContact C-N 3.32Å; A43-E45 PolarHBondContact O-N 3.04Å; A43-L46 PolarHBondContact O-N 3.06Å; A43-E47 WeakPolarHBondContact O-CG 3.43Å; A43-E47 PolarHBondContact O-N 3.42Å |
| 44 | V | 91.1 | Very high | 91.2 | Very high | 80 Ų | 80 | 89.3 Ų | 89.3 | 49% | 0.485 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 179.9 | 169.9 | 0 | 0 | 0 | 0 | 112 | V40 K41 E47 R48 | V40-V44 HydrophobicContact CG1-CG2 4.32Å; V40-V44 VanDerWaalsContact O-CG2 3.27Å; V40-V44 WeakPolarHBondContact O-CG2 3.25Å; V40-V44 PolarHBondContact O-N 2.9Å; K41-V44 PolarHBondContact O-N 2.94Å; V44-E47 PolarHBondContact O-N 3.42Å; V44-R48 WeakPolarHBondContact O-CB 3.43Å; V44-R48 PolarHBondContact O-N 3.4Å |
| 45 | E | 92.7 | Very high | 91.5 | Very high | 107 Ų | 107 | 90.9 Ų | 90.9 | 50% | 0.5 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 177.4 | -171.3 | 58.4 | -155.9 | 0 | 0 | 111.4 | K41 E42 A43 E47 R48 V49 | K41-E45 PolarHBondContact O-N 3.01Å; E42-E45 PolarHBondContact O-N 3.33Å; A43-E45 VanDerWaalsContact C-N 3.32Å; A43-E45 PolarHBondContact O-N 3.04Å; E45-E47 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 2.94Å; E45-R48 PolarHBondContact O-N 3.26Å; E45-V49 WeakPolarHBondContact O-CG2 3.35Å; E45-V49 PolarHBondContact O-N 2.95Å |
| 46 | L | 92.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 90 Ų | 90 | 14% | 0.136 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.9 | -67.6 | 167.6 | 0 | 0 | 0 | 111.5 | L27 S30 L31 H34 E42 A43 V49 L50 | L27-L46 HydrophobicContact CD2-CD2 3.47Å; L27-L46 VanDerWaalsContact CD2-CD2 3.47Å; S30-L46 VanDerWaalsContact OG-CD1 3.25Å; S30-L46 WeakPolarHBondContact OG-CD1 3.4Å; L31-L46 HydrophobicContact CB-CB 4.35Å; L31-L46 HydrophobicContact CB-CD1 4.47Å; L31-L46 HydrophobicContact CD1-CB 4.3Å; H34-L46 HydrophobicContact CB-CD1 4.48Å; E42-L46 VanDerWaalsContact O-CG 3.24Å; E42-L46 WeakPolarHBondContact O-CG 3.5Å; E42-L46 PolarHBondContact O-N 3.38Å; A43-L46 PolarHBondContact O-N 3.06Å; L46-V49 PolarHBondContact O-N 3.39Å; L46-L50 VanDerWaalsContact O-CB 3.25Å; L46-L50 WeakPolarHBondContact O-CB 3.44Å; L46-L50 PolarHBondContact O-N 3.08Å |
| 47 | E | 92.2 | Very high | 92 | Very high | 89 Ų | 89 | 81.9 Ų | 81.9 | 42% | 0.416 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 174.4 | -76 | 176.5 | 170.1 | 0 | 0 | 111.9 | L31 Q35 A43 V44 E45 V49 L50 H51 | L31-E47 HydrophobicContact CD1-CG 3.77Å; L31-E47 HydrophobicContact CD2-CG 3.62Å; L31-E47 HydrophobicContact CG-CG 4.36Å; Q35-E47 PolarHBondContact NE2-OE1 3.44Å; A43-E47 WeakPolarHBondContact O-CG 3.43Å; A43-E47 PolarHBondContact O-N 3.42Å; V44-E47 PolarHBondContact O-N 3.42Å; E45-E47 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 2.94Å; E47-V49 PolarHBondContact O-N 2.92Å; E47-L50 PolarHBondContact O-N 3.29Å; E47-H51 VanDerWaalsContact O-CB 3.29Å; E47-H51 WeakPolarHBondContact O-CB 3.49Å; E47-H51 PolarHBondContact O-N 3.42Å |
| 48 | R | 95.1 | Very high | 92.1 | Very high | 174 Ų | 174 | 79.1 Ų | 79.1 | 66% | 0.657 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 179.5 | -179.1 | -180 | 157.2 | 71.7 | 3 | 111.9 | V44 E45 R52 | V44-R48 WeakPolarHBondContact O-CB 3.43Å; V44-R48 PolarHBondContact O-N 3.4Å; E45-R48 PolarHBondContact O-N 3.26Å; R48-R52 PolarHBondContact O-N 3.18Å; R48-R52 VanDerWaalsContact O-N 3.11Å |
| 49 | V | 93.9 | Very high | 92.4 | Very high | 48 Ų | 48 | 79.4 Ų | 79.4 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 177.6 | -180 | 0 | 0 | 0 | 0 | 110.4 | L27 E45 L46 E47 H51 R52 N53 | L27-V49 HydrophobicContact CD1-CB 4.13Å; L27-V49 HydrophobicContact CD1-CG1 3.62Å; L27-V49 HydrophobicContact CD2-CB 4.37Å; L27-V49 HydrophobicContact CD2-CG1 4.26Å; E45-V49 WeakPolarHBondContact O-CG2 3.35Å; E45-V49 PolarHBondContact O-N 2.95Å; L46-V49 PolarHBondContact O-N 3.39Å; E47-V49 PolarHBondContact O-N 2.92Å; V49-H51 VanDerWaalsContact C-N 3.34Å; V49-H51 PolarHBondContact O-N 2.98Å; V49-R52 PolarHBondContact O-N 3.06Å; V49-N53 PolarHBondContact O-N 3.46Å |
| 50 | L | 94.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 178.5 | -180 | 61.8 | 0 | 0 | 0 | 111.2 | N24 L27 I28 L46 E47 R52 N53 L54 | N24-L50 HydrophobicContact CB-CD1 3.86Å; L27-L50 HydrophobicContact CB-CB 4.43Å; L27-L50 HydrophobicContact CB-CD1 4.38Å; L27-L50 HydrophobicContact CD1-CB 4.21Å; I28-L50 HydrophobicContact CD1-CD1 4.44Å; I28-L50 HydrophobicContact CG1-CD1 4.15Å; I28-L50 HydrophobicContact CG1-CD2 3.81Å; L46-L50 VanDerWaalsContact O-CB 3.25Å; L46-L50 WeakPolarHBondContact O-CB 3.44Å; L46-L50 PolarHBondContact O-N 3.08Å; E47-L50 PolarHBondContact O-N 3.29Å; L50-R52 PolarHBondContact O-N 3.19Å; L50-N53 PolarHBondContact O-N 3.11Å; L50-L54 HydrophobicContact CD1-CD1 4.41Å; L50-L54 HydrophobicContact CD1-CG 4.37Å; L50-L54 HydrophobicContact CG-CD1 4.2Å; L50-L54 WeakPolarHBondContact O-CG 3.37Å; L50-L54 PolarHBondContact O-N 3.26Å |
| 51 | H | 95.4 | Very high | 92.6 | Very high | 121 Ų | 121 | 76.3 Ų | 76.3 | 56% | 0.56 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 178.2 | -178 | -102.4 | 0 | 0 | 0 | 111.8 | E47 V49 N53 L54 I55 | E47-H51 VanDerWaalsContact O-CB 3.29Å; E47-H51 WeakPolarHBondContact O-CB 3.49Å; E47-H51 PolarHBondContact O-N 3.42Å; V49-H51 VanDerWaalsContact C-N 3.34Å; V49-H51 PolarHBondContact O-N 2.98Å; H51-N53 VanDerWaalsContact C-N 3.25Å; H51-N53 PolarHBondContact O-N 2.96Å; H51-L54 PolarHBondContact O-N 3.28Å; H51-I55 WeakPolarHBondContact O-CG1 3.29Å; H51-I55 PolarHBondContact O-N 3.02Å |
| 52 | R | 95.7 | Very high | 92.5 | Very high | 186 Ų | 186 | 73 Ų | 73 | 70% | 0.702 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -56.2 | -43.1 | 176.5 | -178.7 | -179.3 | 177.3 | -118.5 | 1 | 111.5 | R48 V49 L50 Y56 | R48-R52 PolarHBondContact O-N 3.18Å; R48-R52 VanDerWaalsContact O-N 3.11Å; V49-R52 PolarHBondContact O-N 3.06Å; L50-R52 PolarHBondContact O-N 3.19Å; R52-Y56 WeakPolarHBondContact O-CB 3.34Å; R52-Y56 PolarHBondContact O-N 3.5Å |
| 53 | N | 93.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.064 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 179.4 | -70.8 | -4 | 0 | 0 | 0 | 111.9 | M20 N24 V49 L50 H51 I55 Y56 L57 | M20-N53 HydrophobicContact CE-CB 3.74Å; M20-N53 WeakPolarHBondContact CE-OD1 3.49Å; N24-N53 WeakPolarHBondContact OD1-CB 3.07Å; N24-N53 PolarHBondContact OD1-ND2 2.85Å; V49-N53 PolarHBondContact O-N 3.46Å; L50-N53 PolarHBondContact O-N 3.11Å; H51-N53 VanDerWaalsContact C-N 3.25Å; H51-N53 PolarHBondContact O-N 2.96Å; N53-I55 PolarHBondContact O-N 3.46Å; N53-Y56 PolarHBondContact O-N 3.38Å; N53-L57 WeakPolarHBondContact O-CB 3.38Å; N53-L57 VanDerWaalsContact O-CG 3.27Å; N53-L57 WeakPolarHBondContact O-CG 3.29Å; N53-L57 PolarHBondContact O-N 3.35Å |
| 54 | L | 95.9 | Very high | 91.7 | Very high | 91 Ų | 91 | 74 Ų | 74 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 178.9 | -68.3 | 177.1 | 0 | 0 | 0 | 112.1 | L50 H51 Y56 L57 A58 | L50-L54 HydrophobicContact CD1-CD1 4.41Å; L50-L54 HydrophobicContact CD1-CG 4.37Å; L50-L54 HydrophobicContact CG-CD1 4.2Å; L50-L54 WeakPolarHBondContact O-CG 3.37Å; L50-L54 PolarHBondContact O-N 3.26Å; H51-L54 PolarHBondContact O-N 3.28Å; L54-Y56 VanDerWaalsContact C-N 3.35Å; L54-Y56 PolarHBondContact O-N 3.22Å; L54-L57 PolarHBondContact O-N 2.88Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.5Å |
| 55 | I | 95.1 | Very high | 90.9 | Very high | 89 Ų | 89 | 73 Ų | 73 | 46% | 0.456 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 176.2 | -62.6 | -58 | 0 | 0 | 0 | 111 | H51 N53 A58 T59 | H51-I55 WeakPolarHBondContact O-CG1 3.29Å; H51-I55 PolarHBondContact O-N 3.02Å; N53-I55 PolarHBondContact O-N 3.46Å; I55-A58 PolarHBondContact O-N 3.27Å; I55-T59 WeakPolarHBondContact O-CB 3.47Å; I55-T59 PolarHBondContact O-N 3.49Å; I55-T59 PolarHBondContact O-OG1 3.23Å |
| 56 | Y | 94.4 | Very high | 89.4 | Confident | 87 Ų | 87 | 71 Ų | 71 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.7 | -179.8 | -103.6 | 0 | 0 | 0 | 111.8 | M20 R52 N53 L54 T59 I60 | M20-Y56 HydrophobicContact CE-CD1 3.24Å; M20-Y56 HydrophobicContact CE-CE1 3.99Å; M20-Y56 HydrophobicContact CE-CG 3.97Å; M20-Y56 HydrophobicContact SD-CD1 3.29Å; M20-Y56 WeakPolarHBondContact SD-CD1 3.28Å; M20-Y56 HydrophobicContact SD-CE1 3.38Å; M20-Y56 WeakPolarHBondContact SD-CE1 3.35Å; M20-Y56 HydrophobicContact SD-CG 4.45Å; R52-Y56 WeakPolarHBondContact O-CB 3.34Å; R52-Y56 PolarHBondContact O-N 3.5Å; N53-Y56 PolarHBondContact O-N 3.38Å; L54-Y56 VanDerWaalsContact C-N 3.35Å; L54-Y56 PolarHBondContact O-N 3.22Å; Y56-T59 PolarHBondContact O-N 2.88Å; Y56-I60 HydrophobicContact CD1-CD1 3.48Å; Y56-I60 VanDerWaalsContact CD1-CD1 3.48Å; Y56-I60 HydrophobicContact CD1-CG1 4.41Å; Y56-I60 HydrophobicContact CE1-CD1 3.09Å; Y56-I60 HydrophobicContact CE1-CG1 4.15Å; Y56-I60 HydrophobicContact CE2-CD1 4.19Å; Y56-I60 HydrophobicContact CE2-CG1 4.46Å; Y56-I60 HydrophobicContact CG-CD1 4.25Å; Y56-I60 VanDerWaalsContact CZ-CD1 3.48Å; Y56-I60 WeakPolarHBondContact O-CG1 3.42Å; Y56-I60 PolarHBondContact O-N 3.36Å |
| 57 | L | 94.1 | Very high | 87.7 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 13% | 0.131 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.7 | -70.7 | 171.3 | 0 | 0 | 0 | 111.7 | I17 M20 L21 N24 N53 L54 T59 I60 A61 | I17-L57 HydrophobicContact CG2-CD2 3.72Å; M20-L57 HydrophobicContact CB-CD2 4.41Å; M20-L57 HydrophobicContact CE-CG 4.49Å; L21-L57 HydrophobicContact CD2-CD1 3.71Å; N24-L57 WeakPolarHBondContact ND2-CD1 3.33Å; N53-L57 WeakPolarHBondContact O-CB 3.38Å; N53-L57 VanDerWaalsContact O-CG 3.27Å; N53-L57 WeakPolarHBondContact O-CG 3.29Å; N53-L57 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 2.88Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 2.97Å; L57-I60 PolarHBondContact O-N 3.47Å; L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 2.93Å |
| 58 | A | 92.4 | Very high | 86 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L54 I55 A61 D62 | L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.5Å; I55-A58 PolarHBondContact O-N 3.27Å; A58-A61 PolarHBondContact O-N 3.26Å; A58-D62 WeakPolarHBondContact O-CB 3.27Å; A58-D62 PolarHBondContact O-N 3.4Å |
| 59 | T | 91.2 | Very high | 84.3 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 37% | 0.368 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.9 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | I55 Y56 L57 R63 | I55-T59 WeakPolarHBondContact O-CB 3.47Å; I55-T59 PolarHBondContact O-N 3.49Å; I55-T59 PolarHBondContact O-OG1 3.23Å; Y56-T59 PolarHBondContact O-N 2.88Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 2.97Å; T59-R63 WeakPolarHBondContact O-CB 3.33Å; T59-R63 VanDerWaalsContact O-CG 3.25Å; T59-R63 WeakPolarHBondContact O-CG 3.46Å; T59-R63 PolarHBondContact O-N 3.32Å; T59-R63 VanDerWaalsContact O-N 3.14Å; T59-R63 PolarHBondContact O-NE 3.16Å; T59-R63 VanDerWaalsContact O-NE 3.11Å |
| 60 | I | 88.5 | Confident | 82.4 | Confident | 6 Ų | 6 | 79.8 Ų | 79.8 | 3% | 0.031 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.5 | -47.9 | 173.4 | -65.8 | 163 | 0 | 0 | 0 | 110.2 | I12 I17 Y56 L57 D62 R63 T64 | I12-I60 HydrophobicContact CB-CD1 4.47Å; I12-I60 HydrophobicContact CD1-CB 4.49Å; I12-I60 HydrophobicContact CD1-CD1 4.42Å; I12-I60 HydrophobicContact CD1-CG1 3.8Å; I12-I60 HydrophobicContact CD1-CG2 4.09Å; I12-I60 HydrophobicContact CG1-CD1 4.09Å; I12-I60 HydrophobicContact CG1-CG1 4.02Å; I12-I60 HydrophobicContact CG2-CD1 3.7Å; I12-I60 HydrophobicContact CG2-CG1 4.38Å; I12-I60 HydrophobicContact CG2-CG2 4.37Å; I17-I60 HydrophobicContact CD1-CG2 4.08Å; I17-I60 HydrophobicContact CG1-CD1 4.37Å; Y56-I60 HydrophobicContact CD1-CD1 3.48Å; Y56-I60 VanDerWaalsContact CD1-CD1 3.48Å; Y56-I60 HydrophobicContact CD1-CG1 4.41Å; Y56-I60 HydrophobicContact CE1-CD1 3.09Å; Y56-I60 HydrophobicContact CE1-CG1 4.15Å; Y56-I60 HydrophobicContact CE2-CD1 4.19Å; Y56-I60 HydrophobicContact CE2-CG1 4.46Å; Y56-I60 HydrophobicContact CG-CD1 4.25Å; Y56-I60 VanDerWaalsContact CZ-CD1 3.48Å; Y56-I60 WeakPolarHBondContact O-CG1 3.42Å; Y56-I60 PolarHBondContact O-N 3.36Å; L57-I60 PolarHBondContact O-N 3.47Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.88Å; I60-R63 PolarHBondContact O-N 3.39Å; I60-R63 VanDerWaalsContact O-N 3.16Å; I60-T64 HydrophobicContact CG2-CG2 4.19Å; I60-T64 WeakPolarHBondContact O-CG2 3.37Å; I60-T64 PolarHBondContact O-N 2.95Å; I60-T64 PolarHBondContact O-OG1 2.74Å |
| 61 | A | 87.6 | Confident | 80.2 | Confident | 53 Ų | 53 | 81 Ų | 81 | 44% | 0.438 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.7 | -44.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L57 A58 T64 A65 | L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 2.93Å; A58-A61 PolarHBondContact O-N 3.26Å; A61-T64 WeakPolarHBondContact CA-OG1 3.25Å; A61-T64 PolarHBondContact O-N 2.77Å; A61-T64 PolarHBondContact O-OG1 3.44Å; A61-A65 WeakPolarHBondContact O-CB 3.37Å; A61-A65 PolarHBondContact O-N 3.18Å |
| 62 | D | 86.2 | Confident | 77.6 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 54% | 0.54 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176 | -174 | 70 | 0 | 0 | 0 | 112.1 | A58 I60 T64 A65 T66 | A58-D62 WeakPolarHBondContact O-CB 3.27Å; A58-D62 PolarHBondContact O-N 3.4Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.88Å; D62-T64 VanDerWaalsContact C-N 3.34Å; D62-T64 PolarHBondContact O-N 3.28Å; D62-A65 PolarHBondContact O-N 3.25Å; D62-T66 WeakPolarHBondContact O-CB 3.34Å; D62-T66 VanDerWaalsContact O-CG2 3.31Å; D62-T66 WeakPolarHBondContact O-CG2 3.42Å; D62-T66 PolarHBondContact O-N 3.29Å; D62-T66 PolarHBondContact O-OG1 2.86Å |
| 63 | R | 85.7 | Confident | 75.2 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 19% | 0.192 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 175.5 | -71.8 | -179.3 | -63.1 | -164.3 | 12.3 | 113.6 | E9 T59 I60 T66 Q67 | E9-R63 IonicContact OE1-NH1 3.34Å; E9-R63 PolarHBondContact OE1-NH1 2.75Å; E9-R63 IonicContact OE2-CZ 3.49Å; E9-R63 IonicContact OE2-NH1 2.61Å; E9-R63 PolarHBondContact OE2-NH1 2.9Å; E9-R63 IonicContact OE2-NH2 3.81Å; T59-R63 WeakPolarHBondContact O-CB 3.33Å; T59-R63 VanDerWaalsContact O-CG 3.25Å; T59-R63 WeakPolarHBondContact O-CG 3.46Å; T59-R63 PolarHBondContact O-N 3.32Å; T59-R63 VanDerWaalsContact O-N 3.14Å; T59-R63 PolarHBondContact O-NE 3.16Å; T59-R63 VanDerWaalsContact O-NE 3.11Å; I60-R63 PolarHBondContact O-N 3.39Å; I60-R63 VanDerWaalsContact O-N 3.16Å; R63-T66 VanDerWaalsContact CA-OG1 3.31Å; R63-T66 WeakPolarHBondContact CA-OG1 3.35Å; R63-T66 PolarHBondContact O-OG1 2.84Å; R63-Q67 WeakPolarHBondContact O-CG 3.38Å; R63-Q67 PolarHBondContact O-N 2.86Å; R63-Q67 PolarHBondContact O-NE2 3.3Å |
| 64 | T | 78.3 | Confident | 72.7 | Confident | 69 Ų | 69 | 82.4 Ų | 82.4 | 42% | 0.423 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.6 | -41.5 | 174.1 | 53 | 0 | 0 | 0 | 0 | 110.9 | I60 A61 D62 Q67 H68 | I60-T64 HydrophobicContact CG2-CG2 4.19Å; I60-T64 WeakPolarHBondContact O-CG2 3.37Å; I60-T64 PolarHBondContact O-N 2.95Å; I60-T64 PolarHBondContact O-OG1 2.74Å; A61-T64 WeakPolarHBondContact CA-OG1 3.25Å; A61-T64 PolarHBondContact O-N 2.77Å; A61-T64 PolarHBondContact O-OG1 3.44Å; D62-T64 VanDerWaalsContact C-N 3.34Å; D62-T64 PolarHBondContact O-N 3.28Å; T64-Q67 PolarHBondContact O-N 3.45Å; T64-H68 PolarHBondContact O-CD2 3.42Å; T64-H68 PolarHBondContact O-N 2.89Å |
| 65 | A | 73.2 | Confident | 70 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A61 D62 H68 A69 | A61-A65 WeakPolarHBondContact O-CB 3.37Å; A61-A65 PolarHBondContact O-N 3.18Å; D62-A65 PolarHBondContact O-N 3.25Å; A65-H68 PolarHBondContact O-N 3.31Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 2.92Å |
| 66 | T | 61.7 | Low | 67.3 | Low | 64 Ų | 64 | 83.4 Ų | 83.4 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 177 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | D62 R63 H68 A69 V70 | D62-T66 WeakPolarHBondContact O-CB 3.34Å; D62-T66 VanDerWaalsContact O-CG2 3.31Å; D62-T66 WeakPolarHBondContact O-CG2 3.42Å; D62-T66 PolarHBondContact O-N 3.29Å; D62-T66 PolarHBondContact O-OG1 2.86Å; R63-T66 VanDerWaalsContact CA-OG1 3.31Å; R63-T66 WeakPolarHBondContact CA-OG1 3.35Å; R63-T66 PolarHBondContact O-OG1 2.84Å; T66-H68 PolarHBondContact O-N 3.11Å; T66-A69 PolarHBondContact O-N 2.61Å; T66-A69 VanDerWaalsContact O-N 3.07Å; T66-V70 WeakPolarHBondContact O-CG2 3.31Å; T66-V70 PolarHBondContact O-N 3.34Å |
| 67 | Q | 56.6 | Low | 65.6 | Low | 146 Ų | 146 | 86.7 Ų | 86.7 | 68% | 0.682 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.5 | -30.6 | 172.8 | -81.1 | -178.3 | 72.8 | 0 | 0 | 113.3 | R63 T64 | R63-Q67 WeakPolarHBondContact O-CG 3.38Å; R63-Q67 PolarHBondContact O-N 2.86Å; R63-Q67 PolarHBondContact O-NE2 3.3Å; T64-Q67 PolarHBondContact O-N 3.45Å |
| 68 | H | 57.2 | Low | 63.3 | Low | 169 Ų | 169 | 91 Ų | 91 | 78% | 0.782 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -84.8 | -18.4 | 173.8 | -73.8 | -72.5 | 0 | 0 | 0 | 113.6 | T64 A65 T66 | T64-H68 PolarHBondContact O-CD2 3.42Å; T64-H68 PolarHBondContact O-N 2.89Å; A65-H68 PolarHBondContact O-N 3.31Å; T66-H68 PolarHBondContact O-N 3.11Å |
| 69 | A | 57.5 | Low | 61.2 | Low | 81 Ų | 81 | 95.4 Ų | 95.4 | 67% | 0.669 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -87.7 | -22.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A65 T66 G71 | A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 2.92Å; T66-A69 PolarHBondContact O-N 2.61Å; T66-A69 VanDerWaalsContact O-N 3.07Å; A69-G71 PolarHBondContact O-N 3.15Å |
| 70 | V | 54.8 | Low | 59.1 | Low | 125 Ų | 125 | 98.1 Ų | 98.1 | 76% | 0.758 | 60% | 0.597 | S | S | * | * | trans | -95 | 63.9 | 170.8 | -92.5 | 0 | 0 | 0 | 0 | 111.4 | T66 | T66-V70 WeakPolarHBondContact O-CG2 3.31Å; T66-V70 PolarHBondContact O-N 3.34Å | ||
| 71 | G | 48.8 | Very low | 57.1 | Low | 47 Ų | 47 | 103.4 Ų | 103.4 | 49% | 0.485 | 64% | 0.635 | S | S | . | * | trans | -80.6 | 140.8 | 156 | 0 | 0 | 0 | 0 | 0 | 110.2 | A69 T73 | A69-G71 PolarHBondContact O-N 3.15Å; G71-T73 PolarHBondContact O-N 3.32Å | ||
| 72 | P | 41.5 | Very low | 55.3 | Low | 128 Ų | 128 | 105.1 Ų | 105.1 | 83% | 0.831 | 64% | 0.644 | S | S | * | * | trans | -77.6 | 92.4 | 174.6 | 32.4 | -30.4 | 0 | 0 | 0 | 108.8 | ||||
| 73 | T | 45.3 | Very low | 53.7 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 78% | 0.779 | 66% | 0.657 | S | S | * | * | trans | -117.3 | 84 | 158.8 | 57.8 | 0 | 0 | 0 | 0 | 106 | G71 | G71-T73 PolarHBondContact O-N 3.32Š| ||
| 74 | S | 41.7 | Very low | 51.8 | Low | 95 Ų | 95 | 111.2 Ų | 111.2 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | 36.5 | 137.2 | 91.3 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 75 | C | 37.8 | Very low | 49.9 | Very low | 85 Ų | 85 | 116.6 Ų | 116.6 | 57% | 0.574 | 70% | 0.704 | S | S | * | * | trans | 74.5 | 84.4 | 161.3 | 63.6 | 0 | 0 | 0 | 0 | 118.8 | H77 | C75-H77 WeakPolarHBondContact CB-CE1 3.31Å; C75-H77 PolarHBondContact O-CE1 3.44Å; C75-H77 PolarHBondContact O-N 3.34Å; C75-H77 PolarHBondContact O-ND1 3.47Å; C75-H77 PolarHBondContact SG-CE1 3.22Å | ||
| 76 | S | 39.6 | Very low | 48.3 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | -12.4 | 114.8 | 126.8 | 49.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 77 | H | 57 | Low | 47.1 | Very low | 156 Ų | 156 | 123 Ų | 123 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | -144.8 | 118.7 | 160.1 | -58.7 | 86.8 | 0 | 0 | 0 | 110.1 | C75 | C75-H77 WeakPolarHBondContact CB-CE1 3.31Å; C75-H77 PolarHBondContact O-CE1 3.44Å; C75-H77 PolarHBondContact O-N 3.34Å; C75-H77 PolarHBondContact O-ND1 3.47Å; C75-H77 PolarHBondContact SG-CE1 3.22Å | ||
| 78 | P | 46.9 | Very low | 46.7 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -79.9 | 136.2 | 171.9 | 31.8 | -29.3 | 0 | 0 | 0 | 110.6 | ||||
| 79 | I | 47.9 | Very low | 45.9 | Very low | 151 Ų | 151 | 122.3 Ų | 122.3 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | trans | 22.1 | 118.5 | 145.5 | -22 | 169.5 | 0 | 0 | 0 | 117.3 | ||||
| 80 | P | 47.8 | Very low | 45 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -109.8 | 110.3 | 147.7 | 30.3 | -19.7 | 0 | 0 | 0 | 110.6 | S82 | P80-S82 PolarHBondContact O-N 3.28Š| ||
| 81 | S | 45.9 | Very low | 44.2 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -57.3 | 108.9 | 158.8 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 82 | S | 50.3 | Low | 44.1 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | -150.9 | 104 | 158.2 | 53.8 | 0 | 0 | 0 | 0 | 107.7 | P80 | P80-S82 PolarHBondContact O-N 3.28Š| ||
| 83 | L | 52.6 | Low | 44.6 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | 81.1 | 94.5 | 109.5 | -70.2 | 163.1 | 0 | 0 | 0 | 112.9 | |||||
| 84 | T | 44.8 | Very low | 45 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 44.8 | 98.8 | 126 | 56.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 85 | Q | 39.4 | Very low | 45.3 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | -170.3 | 124.2 | 128.6 | -126.9 | 172.5 | 1.7 | 0 | 0 | 111.4 | |||||
| 86 | P | 38.9 | Very low | 45.9 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -82.3 | 154.9 | 155.9 | 34.3 | -26.6 | 0 | 0 | 0 | 108.6 | ||||
| 87 | N | 37.7 | Very low | 46.3 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 87 | 101.3 | 165.2 | -149.4 | 42.2 | 0 | 0 | 0 | 116.1 | ||||
| 88 | Q | 46.3 | Very low | 45.7 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | 163.8 | 102.9 | 127.4 | -78.8 | -118.6 | 79.5 | 0 | 0 | 110.6 | |||||
| 89 | I | 40.3 | Very low | 45.7 | Very low | 142 Ų | 142 | 138 Ų | 138 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | trans | 16.2 | 107.2 | 134.4 | -45.1 | 161 | 0 | 0 | 0 | 115.4 | ||||
| 90 | Q | 40.3 | Very low | 45.4 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -155.7 | 108.5 | 149.9 | -151.4 | 157.1 | 27.8 | 0 | 0 | 111.7 | ||||
| 91 | D | 38 | Very low | 45.3 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -50.8 | 135 | 167.8 | -73.6 | -90.5 | 0 | 0 | 0 | 112.5 | ||||
| 92 | S | 46.9 | Very low | 44.9 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -154 | 86.7 | 163.9 | -70.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 93 | A | 51.7 | Low | 44.5 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 137.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N95 | A93-N95 PolarHBondContact O-N 3.14Š|
| 94 | P | 52.9 | Low | 43.9 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 126.6 | 179.3 | 26.5 | -30.3 | 0 | 0 | 0 | 111.8 | ||
| 95 | N | 47.6 | Very low | 44 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 123.6 | -179.2 | -171.5 | 9.4 | 0 | 0 | 0 | 111.1 | A93 | A93-N95 PolarHBondContact O-N 3.14Š|
| 96 | Y | 50.4 | Low | 44.2 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -111.8 | 131.7 | 166 | -70.3 | -79.8 | 0 | 0 | 0 | 109.4 | L98 | Y96-L98 PolarHBondContact O-N 2.74Š| ||
| 97 | P | 49.6 | Very low | 44.8 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -78.4 | 113.9 | -176.1 | 30.3 | -32.7 | 0 | 0 | 0 | 111.1 | ||||
| 98 | L | 43.9 | Very low | 45.3 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -83.8 | 113.1 | 161.9 | -78 | 173.9 | 0 | 0 | 0 | 109.2 | Y96 V100 | Y96-L98 PolarHBondContact O-N 2.74Å; L98-V100 PolarHBondContact O-N 2.84Å | ||
| 99 | S | 45.9 | Very low | 44.9 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -58.6 | 126 | 168.5 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 100 | V | 42.6 | Very low | 44.9 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -49.7 | 128.6 | 173.9 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | L98 | L98-V100 PolarHBondContact O-N 2.84Š| ||
| 101 | V | 45.6 | Very low | 45 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -129.4 | 119.1 | 148.6 | -69.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 102 | N | 37.5 | Very low | 45.5 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -84.2 | 125.2 | -176.4 | 174.8 | 46.9 | 0 | 0 | 0 | 109.8 | ||||
| 103 | A | 42.3 | Very low | 45 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -151.8 | 111.3 | 158 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 104 | S | 39.8 | Very low | 44.4 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -61.9 | 153.2 | -176 | -44.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 105 | S | 47.2 | Very low | 43.7 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 159.3 | 89.6 | 140.9 | -82.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 106 | D | 43.9 | Very low | 43.7 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | 57.3 | 102.1 | 96.5 | -155.6 | -94.5 | 0 | 0 | 0 | 113.3 | |||||
| 107 | L | 51.5 | Low | 43.4 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | 175 | 118 | 116.3 | -162.1 | 62 | 0 | 0 | 0 | 111.3 | |||||
| 108 | S | 48 | Very low | 42.9 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 66.3 | 109.7 | 147.8 | -57.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 109 | Q | 37.3 | Very low | 43.1 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -34.9 | 134.8 | 153.7 | -70.5 | 165.8 | 13.6 | 0 | 0 | 115.3 | ||||
| 110 | S | 41.2 | Very low | 43.2 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | -163.6 | 121.1 | 125.4 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 111 | S | 41.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -66.3 | 127.1 | 175.9 | -40.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 112 | V | 48.3 | Very low | 43.5 | Very low | 136 Ų | 136 | 133 Ų | 133 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -158.5 | 107.8 | 146.7 | -83.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 113 | L | 37.3 | Very low | 44 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 94% | 0.942 | 78% | 0.781 | S | S | * | * | trans | 5.5 | 115.6 | 137.6 | -150.8 | 75 | 0 | 0 | 0 | 117.7 | ||||
| 114 | G | 37.5 | Very low | 43.9 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 81.5 | 87.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 115 | Q | 39.9 | Very low | 44.5 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | 177.6 | 142.9 | 136.6 | -105.9 | 179.2 | 25.3 | 0 | 0 | 110.5 | H117 | Q115-H117 VanDerWaalsContact CB-CE1 3.42Å; Q115-H117 WeakPolarHBondContact CB-CE1 3.42Å; Q115-H117 PolarHBondContact O-N 2.96Å; Q115-H117 VanDerWaalsContact O-N 3.16Å; Q115-H117 PolarHBondContact OE1-CE1 3.14Å | ||
| 116 | P | 45.8 | Very low | 44.4 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -76.8 | 100.2 | 165.4 | 31 | -28.2 | 0 | 0 | 0 | 108.3 | ||||
| 117 | H | 45.2 | Very low | 44.2 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -79.2 | 124.2 | 173.4 | -67.4 | -10.9 | 0 | 0 | 0 | 110.5 | Q115 | Q115-H117 VanDerWaalsContact CB-CE1 3.42Å; Q115-H117 WeakPolarHBondContact CB-CE1 3.42Å; Q115-H117 PolarHBondContact O-N 2.96Å; Q115-H117 VanDerWaalsContact O-N 3.16Å; Q115-H117 PolarHBondContact OE1-CE1 3.14Å | ||
| 118 | Q | 38.1 | Very low | 44.1 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -55 | 131 | 169.6 | -99 | -145 | 78.2 | 0 | 0 | 111.2 | T120 | Q118-T120 PolarHBondContact O-N 3.31Š| ||
| 119 | I | 48 | Very low | 44.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 98.4 | 164.2 | -60.8 | 166.1 | 0 | 0 | 0 | 106.9 | V121 | I119-V121 HydrophobicContact CG2-CG1 4.26Å; I119-V121 PolarHBondContact O-N 3.19Å | ||
| 120 | T | 49.1 | Very low | 45.4 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 103.2 | 167.4 | -60.8 | 0 | 0 | 0 | 0 | 108.8 | Q118 | Q118-T120 PolarHBondContact O-N 3.31Š| ||
| 121 | V | 54.5 | Low | 45.8 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -84.9 | 108.1 | 164.7 | -80.2 | 0 | 0 | 0 | 0 | 109 | I119 S123 | I119-V121 HydrophobicContact CG2-CG1 4.26Å; I119-V121 PolarHBondContact O-N 3.19Å; V121-S123 PolarHBondContact O-N 3.2Å | ||
| 122 | N | 39.7 | Very low | 46.2 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -73.1 | 110.8 | 172.4 | -174 | -6.5 | 0 | 0 | 0 | 108.6 | ||||
| 123 | S | 47.6 | Very low | 46.5 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -136 | 86.1 | 169.1 | -67.4 | 0 | 0 | 0 | 0 | 108.1 | V121 V125 | V121-S123 PolarHBondContact O-N 3.2Å; S123-V125 PolarHBondContact O-N 3.07Å; S123-V125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | S | 40.9 | Very low | 47.7 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -71.6 | 89.8 | 174.5 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 125 | V | 52.9 | Low | 48.6 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -151.7 | 95 | 146.3 | -162.8 | 0 | 0 | 0 | 0 | 108.6 | S123 | S123-V125 PolarHBondContact O-N 3.07Å; S123-V125 VanDerWaalsContact O-N 3.15Å | ||
| 126 | Q | 44.1 | Very low | 49.2 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | 16.3 | 124.2 | 130.2 | -86.5 | 175.8 | 23.5 | 0 | 0 | 115.7 | ||||
| 127 | H | 39.4 | Very low | 49 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | cis | -166.1 | 149.2 | 25.4 | -39 | -105.4 | 0 | 0 | 0 | 108.2 | ||||
| 128 | P | 50.2 | Low | 49 | Very low | 132 Ų | 132 | 133 Ų | 133 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -129.8 | 136.1 | 156.6 | 27.8 | -11.2 | 0 | 0 | 0 | 114.4 | ||||
| 129 | V | 61 | Low | 49.1 | Very low | 138 Ų | 138 | 130 Ų | 130 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -76.4 | 146.2 | 171.7 | -72.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 130 | P | 50.7 | Low | 48.7 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | trans | -86.5 | 121.6 | -177 | 33.2 | -30 | 0 | 0 | 0 | 110.6 | ||||
| 131 | M | 50.8 | Low | 48.5 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -106.7 | 104.5 | 163.8 | -138.1 | -173.5 | -70 | 0 | 0 | 108.3 | V133 | M131-V133 PolarHBondContact O-N 3.39Š| ||
| 132 | A | 48.3 | Very low | 47.8 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -73.5 | 112.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 133 | V | 55.9 | Low | 48.1 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -119.1 | 111.2 | 168.8 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | M131 | M131-V133 PolarHBondContact O-N 3.39Š| ||
| 134 | G | 62.9 | Low | 48.2 | Very low | 58 Ų | 58 | 129.2 Ų | 129.2 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | trans | -68.6 | 156.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T136 | G134-T136 PolarHBondContact O-N 3.17Š| ||
| 135 | P | 55.5 | Low | 48.6 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 115.3 | 178.5 | 31.4 | -30.9 | 0 | 0 | 0 | 109.8 | ||||
| 136 | T | 52.2 | Low | 48.1 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 110.7 | 161 | 31.5 | 0 | 0 | 0 | 0 | 109 | G134 I138 | G134-T136 PolarHBondContact O-N 3.17Å; T136-I138 PolarHBondContact O-N 2.97Å | ||
| 137 | T | 42.4 | Very low | 48.1 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 119.2 | 168 | 11.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 138 | I | 45.5 | Very low | 48.2 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -109.2 | 119.1 | 165 | -90.3 | 174.6 | 0 | 0 | 0 | 108.3 | T136 | T136-I138 PolarHBondContact O-N 2.97Š| ||
| 139 | S | 39.1 | Very low | 47.6 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -76.1 | 130 | 177.6 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 140 | T | 40 | Very low | 46.8 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -22.6 | 116.9 | 156.7 | -51.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 141 | V | 43.8 | Very low | 46.9 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | -174.8 | 120.5 | 112.4 | -93.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 142 | G | 41.8 | Very low | 46.7 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 96.6 | 122.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 143 | N | 44.8 | Very low | 46.6 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -47.1 | 130.7 | 170.5 | -92.5 | -34.9 | 0 | 0 | 0 | 111.1 | ||||
| 144 | P | 49.1 | Very low | 46 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | -140.8 | 145.2 | 88.3 | 32.8 | -16.1 | 0 | 0 | 0 | 115.1 | |||||
| 145 | I | 50.7 | Low | 45.2 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -58.9 | 135.4 | 174.6 | -67.8 | -178.4 | 0 | 0 | 0 | 110.8 | Y147 | I145-Y147 HydrophobicContact CG2-CD2 3.59Å; I145-Y147 HydrophobicContact CG2-CE2 3.62Å | ||
| 146 | M | 41.8 | Very low | 44.5 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -99.9 | 100.6 | -164 | -152.9 | -83.7 | -77.1 | 0 | 0 | 109.5 | Q149 | M146-Q149 HydrophobicContact SD-CB 4.43Š| ||
| 147 | Y | 43.5 | Very low | 44.3 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -143.3 | 38.8 | 172.4 | -76 | -69.9 | 0 | 0 | 0 | 113.5 | I145 | I145-Y147 HydrophobicContact CG2-CD2 3.59Å; I145-Y147 HydrophobicContact CG2-CE2 3.62Å | ||
| 148 | Q | 41.6 | Very low | 44.8 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -100.5 | 3.5 | 171.1 | -74.5 | -77.2 | 73.8 | 0 | 0 | 113.4 | ||||
| 149 | Q | 38.6 | Very low | 45.5 | Very low | 124 Ų | 124 | 134 Ų | 134 | 58% | 0.579 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -90.5 | -10.8 | -169.8 | -158.6 | 64.9 | 63 | 0 | 0 | 114.9 | M146 | M146-Q149 HydrophobicContact SD-CB 4.43Š|
| 150 | Y | 43.5 | Very low | 45.6 | Very low | 218 Ų | 218 | 135.9 Ų | 135.9 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -100.4 | 2.7 | -175.5 | -84.4 | -90.9 | 0 | 0 | 0 | 115.3 | ||
| 151 | L | 52.4 | Low | 45.9 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -121.6 | 13.5 | -173.1 | -74.2 | 164.4 | 0 | 0 | 0 | 115.5 | ||
| 152 | V | 46.8 | Very low | 45.8 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 62% | 0.624 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -125.6 | 9.8 | -176.9 | 79.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 153 | S | 46.8 | Very low | 46 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -102.6 | 16.4 | -178.6 | -60.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 154 | S | 43 | Very low | 46.2 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -118.1 | 27.1 | -179.7 | -39.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 155 | A | 46.4 | Very low | 46.4 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -101.7 | 101.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | H157 | A155-H157 PolarHBondContact O-N 3.38Š|
| 156 | S | 40.5 | Very low | 46.3 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -4 | 107 | 162.7 | -59.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 157 | H | 47.9 | Very low | 46.4 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -130.1 | 111.8 | 154.2 | -164.4 | 72.4 | 0 | 0 | 0 | 109.6 | A155 P159 | A155-H157 PolarHBondContact O-N 3.38Å; H157-P159 VanDerWaalsContact O-CD 3.22Å; H157-P159 WeakPolarHBondContact O-CD 3.36Å | ||
| 158 | V | 53.1 | Low | 46.4 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -91.3 | 106.1 | 170.3 | -87.2 | 0 | 0 | 0 | 0 | 108.5 | N160 | V158-N160 PolarHBondContact O-N 3.06Š| ||
| 159 | P | 61.4 | Low | 46.9 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | trans | -89.3 | 101.1 | 159.3 | 31 | -27.2 | 0 | 0 | 0 | 108.7 | H157 N161 | H157-P159 VanDerWaalsContact O-CD 3.22Å; H157-P159 WeakPolarHBondContact O-CD 3.36Å; P159-N161 PolarHBondContact O-N 3.38Å | ||
| 160 | N | 40.6 | Very low | 47.2 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -64.1 | 108.2 | 163.1 | -178.6 | 49.7 | 0 | 0 | 0 | 109.2 | V158 | V158-N160 PolarHBondContact O-N 3.06Š| ||
| 161 | N | 45.6 | Very low | 47.5 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -158.2 | 85.4 | 147.1 | -150.6 | -6.4 | 0 | 0 | 0 | 111.2 | P159 Q163 | P159-N161 PolarHBondContact O-N 3.38Å; N161-Q163 PolarHBondContact O-N 3.05Å | ||
| 162 | L | 42.9 | Very low | 47.4 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -69.5 | 106.8 | 151.8 | -93.7 | 72 | 0 | 0 | 0 | 107 | ||||
| 163 | Q | 46.1 | Very low | 47.6 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -145.9 | 98 | 149.1 | -161.9 | 151 | -73.9 | 0 | 0 | 111.2 | N161 | N161-Q163 PolarHBondContact O-N 3.05Š| ||
| 164 | V | 48.2 | Very low | 47.5 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -79.5 | 123.6 | 162.4 | -69.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 165 | T | 54 | Low | 47.9 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | -144.2 | 114.4 | 165.5 | -19 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 166 | P | 48 | Very low | 48.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -106.9 | 120 | 170.8 | 33.6 | -22 | 0 | 0 | 0 | 110.3 | ||||
| 167 | Q | 43.4 | Very low | 48.7 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -169.6 | 85.4 | 160.3 | -119.6 | 171.4 | 18.7 | 0 | 0 | 115.4 | H169 | Q167-H169 PolarHBondContact O-CE1 3.27Š| ||
| 168 | N | 44.7 | Very low | 48.4 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | 30.7 | 86 | 112.6 | -145.6 | -4.2 | 0 | 0 | 0 | 121.6 | |||||
| 169 | H | 51.7 | Low | 48.1 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | -157.2 | 104.2 | 151.1 | 6 | -85.1 | 0 | 0 | 0 | 115.4 | Q167 | Q167-H169 PolarHBondContact O-CE1 3.27Š| ||
| 170 | M | 43.5 | Very low | 47.2 | Very low | 185 Ų | 185 | 141 Ų | 141 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | 20.2 | 135.7 | 135.6 | -154.4 | -176.1 | -63.6 | 0 | 0 | 122.8 | ||||
| 171 | A | 50.1 | Low | 47.4 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | 136.1 | 109.2 | 134.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 172 | I | 51.3 | Low | 47.1 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | 61.8 | 123.9 | 100.7 | -82.6 | 175.4 | 0 | 0 | 0 | 111.9 | |||||
| 173 | G | 49.6 | Very low | 47.4 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | cis | 166.7 | 174.7 | 10 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 174 | G | 45.4 | Very low | 47.7 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 132.7 | 112.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 175 | S | 51.1 | Low | 47.9 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -99.2 | 161.8 | -167.6 | -43.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 176 | G | 51.3 | Low | 47.6 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 100.9 | 146.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 177 | Q | 53.6 | Low | 47.8 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | cis | -156.4 | 157.2 | 5.4 | -71.2 | -152.4 | 58.7 | 0 | 0 | 109.7 | ||||
| 178 | F | 41.8 | Very low | 48.2 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -52.9 | 138 | 167.5 | -58.3 | -100.2 | 0 | 0 | 0 | 112.3 | ||||
| 179 | Q | 45.8 | Very low | 48 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | -174.5 | 123.9 | 127.5 | -150.8 | 79.3 | 68.9 | 0 | 0 | 109.9 | H181 | Q179-H181 WeakPolarHBondContact CG-CE1 3.09Å; Q179-H181 VanDerWaalsContact CG-ND1 3.34Å; Q179-H181 WeakPolarHBondContact CG-ND1 3.3Å | |||
| 180 | Q | 42.6 | Very low | 47.9 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -102.4 | 110.9 | 179.3 | 17.5 | -176.5 | -15.1 | 0 | 0 | 107.4 | ||||
| 181 | H | 43.7 | Very low | 48 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -151.7 | 108.4 | 165.7 | -60.3 | 108.7 | 0 | 0 | 0 | 110.7 | Q179 | Q179-H181 WeakPolarHBondContact CG-CE1 3.09Å; Q179-H181 VanDerWaalsContact CG-ND1 3.34Å; Q179-H181 WeakPolarHBondContact CG-ND1 3.3Å | ||
| 182 | E | 41.3 | Very low | 48 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 42.3 | 136.7 | 132.8 | -123.4 | -177.1 | 97.2 | 0 | 0 | 122.3 | ||||
| 183 | R | 49.2 | Very low | 47.6 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | 92.7 | 104.4 | 140.4 | -87 | -110.3 | -86.4 | -102 | 8.3 | 120.2 | ||||
| 184 | V | 50.6 | Low | 47.4 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | 89.2 | 106.9 | 112.3 | 153.5 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 185 | V | 53.2 | Low | 48 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | 101.5 | 135.5 | 115.3 | 165.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 186 | Q | 48.6 | Very low | 47.6 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | 74.7 | 104.4 | 153.9 | -85.6 | 144.3 | 27.8 | 0 | 0 | 119.1 | ||||
| 187 | H | 50.9 | Low | 47.9 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | 71.7 | 114.6 | 83.2 | -75.2 | -137.2 | 0 | 0 | 0 | 112.4 | |||||
| 188 | S | 52.2 | Low | 47.6 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | -173.3 | 140.8 | 129.5 | 17.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 189 | D | 39.8 | Very low | 48.2 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -68.8 | 150.6 | -174 | -142.9 | -85.5 | 0 | 0 | 0 | 113.2 | ||||
| 190 | G | 50.2 | Low | 48.4 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -156.7 | 65 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 191 | Q | 46.4 | Very low | 49.2 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -30 | 135.4 | 159.9 | -161.7 | 175.2 | 94.6 | 0 | 0 | 115.4 | ||||
| 192 | I | 49.3 | Very low | 49.2 | Very low | 161 Ų | 161 | 131 Ų | 131 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | 177.9 | 139.3 | 121.5 | 52.5 | 173.5 | 0 | 0 | 0 | 112.7 | |||||
| 193 | A | 43.5 | Very low | 50.3 | Low | 97 Ų | 97 | 128.3 Ų | 128.3 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -96.3 | 150.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 194 | S | 45.9 | Very low | 50.1 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 164.6 | 143.4 | 158.5 | 27 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 195 | V | 57.6 | Low | 50.5 | Low | 135 Ų | 135 | 124.7 Ų | 124.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -166 | 154.9 | 11.8 | -95.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 196 | D | 42.3 | Very low | 50.5 | Low | 128 Ų | 128 | 125.1 Ų | 125.1 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | trans | -57 | 147.8 | 171.9 | -179 | 68.8 | 0 | 0 | 0 | 113.2 | S198 | D196-S198 PolarHBondContact OD2-N 3.41Å; D196-S198 PolarHBondContact OD2-OG 3.47Å; D196-S198 VanDerWaalsContact OD2-OG 3.05Å | ||
| 197 | S | 57.2 | Low | 51.1 | Low | 114 Ų | 114 | 122.7 Ų | 122.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -141.2 | 83.4 | 161.1 | -73.2 | 0 | 0 | 0 | 0 | 109 | G199 | S197-G199 PolarHBondContact O-N 3.46Š| ||
| 198 | S | 47.2 | Very low | 51.5 | Low | 97 Ų | 97 | 122.4 Ų | 122.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -35.7 | 122.2 | 159.2 | -74.4 | 0 | 0 | 0 | 0 | 113 | D196 | D196-S198 PolarHBondContact OD2-N 3.41Å; D196-S198 PolarHBondContact OD2-OG 3.47Å; D196-S198 VanDerWaalsContact OD2-OG 3.05Å | ||
| 199 | G | 55.7 | Low | 51.4 | Low | 81 Ų | 81 | 122.5 Ų | 122.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -117.6 | 81.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | S197 | S197-G199 PolarHBondContact O-N 3.46Š| ||
| 200 | T | 49.8 | Very low | 52.3 | Low | 134 Ų | 134 | 120.4 Ų | 120.4 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -76.3 | 128.7 | 166.5 | 34.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 201 | V | 59.1 | Low | 52.6 | Low | 141 Ų | 141 | 126.2 Ų | 126.2 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -153 | 122.3 | 148.5 | 118.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 202 | S | 42.8 | Very low | 52.9 | Low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -125.5 | 131.1 | 167.3 | 178.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 203 | P | 64.6 | Low | 53.1 | Low | 113 Ų | 113 | 122.2 Ų | 122.2 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -116.4 | 107.6 | 158 | 27.7 | -13 | 0 | 0 | 0 | 110.4 | A205 | P203-A205 PolarHBondContact O-N 2.85Š| ||
| 204 | N | 45.9 | Very low | 53.6 | Low | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -58 | 117.8 | 154.4 | -178 | 1.9 | 0 | 0 | 0 | 108.8 | ||||
| 205 | A | 57.9 | Low | 54.1 | Low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -114.8 | 91.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P203 A207 | P203-A205 PolarHBondContact O-N 2.85Å; A205-A207 PolarHBondContact O-N 3.19Å | ||
| 206 | V | 52.9 | Low | 53.9 | Low | 110 Ų | 110 | 123.9 Ų | 123.9 | 67% | 0.667 | 82% | 0.817 | S | S | * | * | trans | -46.9 | 115.4 | 158.4 | 157.8 | 0 | 0 | 0 | 0 | 109.7 | M208 | V206-M208 HydrophobicContact CG1-CG 4.05Š| ||
| 207 | A | 61.7 | Low | 54.6 | Low | 103 Ų | 103 | 123.6 Ų | 123.6 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -87.1 | 113.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | A205 | A205-A207 PolarHBondContact O-N 3.19Š| ||
| 208 | M | 60.6 | Low | 54.4 | Low | 168 Ų | 168 | 124.3 Ų | 124.3 | 83% | 0.828 | 83% | 0.827 | S | S | * | * | trans | -68.3 | 149.5 | -178.3 | -71.3 | -152.1 | -85 | 0 | 0 | 113.4 | V206 | V206-M208 HydrophobicContact CG1-CG 4.05Š| ||
| 209 | V | 49.8 | Very low | 55 | Low | 131 Ų | 131 | 126.4 Ų | 126.4 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -47.4 | 141.7 | 161.3 | 71 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 210 | S | 57.6 | Low | 54.9 | Low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -179 | 94.1 | 150.3 | -79.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 211 | S | 56.6 | Low | 55.4 | Low | 200 Ų | 200 | 129.8 Ų | 129.8 | 100% | 1.399 | 84% | 0.841 | S | S | * | * | trans | 169.3 | 0 | 134.5 | -73.4 | 0 | 0 | 0 | 0 | 110 |
Retrieved 211 of 211 residues in 291.3 ms
(Link to these results)