| 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 | 37.8 | Very low | 45.6 | Very low | 222 Ų | 222 | 159.5 Ų | 159.5 | 100% | 1.094 | 81% | 0.807 | S | S | * | * | 0 | 85.2 | 0 | -65.3 | -52.3 | -175.1 | 0 | 0 | 108 | |||||
| 2 | D | 39.7 | Very low | 46.7 | Very low | 156 Ų | 156 | 156.6 Ų | 156.6 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 45 | 88 | 145.5 | -47.8 | -24 | 0 | 0 | 0 | 118.9 | ||||
| 3 | I | 48.6 | Very low | 47.7 | Very low | 165 Ų | 165 | 156.9 Ų | 156.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -100.7 | 87.6 | 155.8 | -57.5 | 167.1 | 0 | 0 | 0 | 106.4 | ||||
| 4 | L | 50.1 | Low | 48.6 | Very low | 162 Ų | 162 | 160 Ų | 160 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -161.1 | 114.7 | 161.5 | -79.8 | -173.1 | 0 | 0 | 0 | 110.3 | ||||
| 5 | R | 48.6 | Very low | 49.8 | Very low | 245 Ų | 245 | 161.7 Ų | 161.7 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -173.6 | 71.1 | 146.1 | -103.9 | -178.4 | -83.3 | -111 | 5 | 105.2 | ||||
| 6 | D | 43.3 | Very low | 50.5 | Low | 149 Ų | 149 | 160.3 Ų | 160.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | 66 | 79 | 100.8 | -161.8 | 36.9 | 0 | 0 | 0 | 108.6 | G8 | D6-G8 VanDerWaalsContact C-N 3.32Å; D6-G8 PolarHBondContact O-N 3.38Å | |||
| 7 | E | 41.4 | Very low | 51.7 | Low | 170 Ų | 170 | 153.9 Ų | 153.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -44.7 | 103.9 | 159.5 | -75.9 | -71.7 | 159.3 | 0 | 0 | 106.4 | V9 | E7-V9 WeakPolarHBondContact O-CG2 3.41Å; E7-V9 PolarHBondContact O-N 3.13Å | ||
| 8 | G | 45.1 | Very low | 53 | Low | 55 Ų | 55 | 150.7 Ų | 150.7 | 57% | 0.567 | 79% | 0.792 | S | S | * | * | trans | -65.2 | 82.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | D6 H10 | D6-G8 VanDerWaalsContact C-N 3.32Å; D6-G8 PolarHBondContact O-N 3.38Å; G8-H10 PolarHBondContact O-N 3.44Å; G8-H10 PolarHBondContact O-ND1 2.68Å | ||
| 9 | V | 43 | Very low | 54.5 | Low | 123 Ų | 123 | 154.9 Ų | 154.9 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -55.7 | 86.1 | 158.2 | -168.6 | 0 | 0 | 0 | 0 | 104.2 | E7 E11 | E7-V9 WeakPolarHBondContact O-CG2 3.41Å; E7-V9 PolarHBondContact O-N 3.13Å; V9-E11 PolarHBondContact O-N 3.26Å | ||
| 10 | H | 53.1 | Low | 55.9 | Low | 166 Ų | 166 | 151.4 Ų | 151.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -64.7 | 88.1 | 161.6 | -85.7 | 51.5 | 0 | 0 | 0 | 103.4 | G8 L12 | G8-H10 PolarHBondContact O-N 3.44Å; G8-H10 PolarHBondContact O-ND1 2.68Å; H10-L12 PolarHBondContact O-N 3.16Å | ||
| 11 | E | 51.3 | Low | 57.3 | Low | 141 Ų | 141 | 148.6 Ų | 148.6 | 66% | 0.659 | 77% | 0.765 | S | S | * | * | trans | -41.9 | 97.5 | 156.2 | -104.4 | -172.5 | 171.1 | 0 | 0 | 105.1 | V9 K13 | V9-E11 PolarHBondContact O-N 3.26Å; E11-K13 HydrophobicContact CB-CG 4.5Å; E11-K13 PolarHBondContact O-N 3.46Å; E11-K13 WeakPolarHBondContact OE2-CE 3.39Å; E11-K13 IonicContact OE2-NZ 3.24Å | ||
| 12 | L | 58.4 | Low | 59.6 | Low | 125 Ų | 125 | 142.7 Ų | 142.7 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | trans | -69 | 76.2 | 162.9 | -70.5 | 173.1 | 0 | 0 | 0 | 104.3 | H10 Y14 | H10-L12 PolarHBondContact O-N 3.16Å; L12-Y14 HydrophobicContact CB-CE2 4.16Å; L12-Y14 WeakPolarHBondContact O-CD2 3.48Å; L12-Y14 PolarHBondContact O-N 3Å | ||
| 13 | K | 59.2 | Low | 61.7 | Low | 161 Ų | 161 | 141.8 Ų | 141.8 | 70% | 0.7 | 73% | 0.731 | S | S | * | * | trans | -61 | 88.3 | 160.2 | -87 | -174.3 | 176.5 | 173.1 | 0 | 104.8 | E11 K15 | E11-K13 HydrophobicContact CB-CG 4.5Å; E11-K13 PolarHBondContact O-N 3.46Å; E11-K13 WeakPolarHBondContact OE2-CE 3.39Å; E11-K13 IonicContact OE2-NZ 3.24Å; K13-K15 VanDerWaalsContact C-N 3.29Å; K13-K15 PolarHBondContact O-N 3.23Å | ||
| 14 | Y | 60.8 | Low | 63.5 | Low | 200 Ų | 200 | 138.9 Ų | 138.9 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | trans | -52.9 | 103.6 | 164.2 | -66.1 | -81.1 | 0 | 0 | 0 | 105.8 | L12 | L12-Y14 HydrophobicContact CB-CE2 4.16Å; L12-Y14 WeakPolarHBondContact O-CD2 3.48Å; L12-Y14 PolarHBondContact O-N 3Å | ||
| 15 | K | 66.8 | Low | 65.4 | Low | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | -62.1 | 127.1 | 179.4 | -72 | -168.9 | 176.9 | -179 | 0 | 106.6 | K13 G17 | K13-K15 VanDerWaalsContact C-N 3.29Å; K13-K15 PolarHBondContact O-N 3.23Å; K15-G17 PolarHBondContact O-N 3.45Å | ||
| 16 | P | 61.1 | Low | 67.2 | Low | 139 Ų | 139 | 126.8 Ų | 126.8 | 90% | 0.903 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -68.8 | 103.4 | 177.9 | 27.7 | -31.1 | 0 | 0 | 0 | 107.4 | ||
| 17 | G | 70.5 | Confident | 69.6 | Low | 52 Ų | 52 | 121.1 Ų | 121.1 | 54% | 0.536 | 64% | 0.641 | S | S | . | * | S | Bend | trans | 153.1 | 104.3 | -175 | 0 | 0 | 0 | 0 | 0 | 107.6 | K15 R19 | K15-G17 PolarHBondContact O-N 3.45Å; G17-R19 PolarHBondContact O-N 3.42Å |
| 18 | G | 74.9 | Confident | 72 | Confident | 97 Ų | 97 | 116.5 Ų | 116.5 | 100% | 1 | 62% | 0.62 | S | S | * | * | trans | -64.6 | 22.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 19 | R | 81.9 | Confident | 74.4 | Confident | 231 Ų | 231 | 119.1 Ų | 119.1 | 87% | 0.872 | 62% | 0.617 | S | S | * | * | trans | -82.7 | 120.8 | 174.2 | -161.1 | 168.6 | 81.9 | 168.6 | 5.7 | 108.5 | G17 D21 | G17-R19 PolarHBondContact O-N 3.42Å; R19-D21 PolarHBondContact O-N 3.14Å | ||
| 20 | L | 82.6 | Confident | 76.8 | Confident | 84 Ų | 84 | 117 Ų | 117 | 44% | 0.44 | 60% | 0.6 | S | S | . | * | trans | -56.3 | 133.4 | 176.2 | -178.5 | 66.1 | 0 | 0 | 0 | 110.2 | M22 L27 | L20-M22 HydrophobicContact CB-CE 3.56Å; L20-M22 HydrophobicContact CD2-CE 3.76Å; L20-M22 HydrophobicContact CG-CE 3.7Å; L20-M22 WeakPolarHBondContact O-CE 3.39Å; L20-M22 PolarHBondContact O-N 3.11Å; L20-L27 HydrophobicContact CD2-CD1 4.18Å | ||
| 21 | D | 85 | Confident | 78.8 | Confident | 92 Ų | 92 | 115.5 Ų | 115.5 | 49% | 0.492 | 59% | 0.588 | S | S | . | * | trans | -71.4 | 115 | 172.4 | -178.2 | 6.1 | 0 | 0 | 0 | 109.7 | R19 N23 H24 | R19-D21 PolarHBondContact O-N 3.14Å; D21-N23 PolarHBondContact O-N 3.22Å; D21-N23 PolarHBondContact OD1-N 3.22Å; D21-H24 HydrophobicContact CB-CB 4.11Å; D21-H24 WeakPolarHBondContact O-CB 3.46Å; D21-H24 PolarHBondContact O-N 2.97Å | ||
| 22 | M | 85.3 | Confident | 80.9 | Confident | 99 Ų | 99 | 115.5 Ų | 115.5 | 49% | 0.488 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -16.7 | -178.1 | -60.5 | -70.3 | 113.2 | 0 | 0 | 113.1 | L20 H24 L27 | L20-M22 HydrophobicContact CB-CE 3.56Å; L20-M22 HydrophobicContact CD2-CE 3.76Å; L20-M22 HydrophobicContact CG-CE 3.7Å; L20-M22 WeakPolarHBondContact O-CE 3.39Å; L20-M22 PolarHBondContact O-N 3.11Å; M22-H24 VanDerWaalsContact C-N 3.34Å; M22-L27 HydrophobicContact CB-CD2 3.94Å; M22-L27 HydrophobicContact CE-CD2 4.04Å; M22-L27 HydrophobicContact CG-CD2 4.24Å; M22-L27 HydrophobicContact SD-CD2 3.32Å; M22-L27 WeakPolarHBondContact SD-CD2 3.45Å |
| 23 | N | 85 | Confident | 82.7 | Confident | 137 Ų | 137 | 113.6 Ų | 113.6 | 73% | 0.733 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 3.2 | 178.1 | -63.6 | -20.6 | 0 | 0 | 0 | 112.3 | D21 | D21-N23 PolarHBondContact O-N 3.22Å; D21-N23 PolarHBondContact OD1-N 3.22Å |
| 24 | H | 85.5 | Confident | 84.5 | Confident | 104 Ų | 104 | 110.3 Ų | 110.3 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -77.4 | 141.7 | -179.4 | -169.6 | -103.3 | 0 | 0 | 0 | 111.6 | D21 M22 F26 L27 H28 | D21-H24 HydrophobicContact CB-CB 4.11Å; D21-H24 WeakPolarHBondContact O-CB 3.46Å; D21-H24 PolarHBondContact O-N 2.97Å; M22-H24 VanDerWaalsContact C-N 3.34Å; H24-F26 WeakPolarHBondContact ND1-CB 3.29Å; H24-F26 PolarHBondContact ND1-N 3.29Å; H24-F26 PolarHBondContact O-N 2.96Å; H24-L27 PolarHBondContact O-N 3Å; H24-H28 PolarHBondContact O-CD2 3.48Å; H24-H28 VanDerWaalsContact O-CD2 3.28Å; H24-H28 PolarHBondContact O-N 3.35Å |
| 25 | G | 90.8 | Very high | 86.2 | Confident | 38 Ų | 38 | 104.9 Ų | 104.9 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -54.6 | -27.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | H28 H29 | G25-H28 PolarHBondContact O-N 3.38Å; G25-H29 PolarHBondContact O-N 3.11Å; G25-H29 PolarHBondContact O-ND1 3.47Å; G25-H29 VanDerWaalsContact O-ND1 3.07Å |
| 26 | F | 87.1 | Confident | 87.6 | Confident | 114 Ų | 114 | 98.8 Ų | 98.8 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 173.5 | 178.4 | -110.3 | 0 | 0 | 0 | 113 | H24 H28 H29 I30 | H24-F26 WeakPolarHBondContact ND1-CB 3.29Å; H24-F26 PolarHBondContact ND1-N 3.29Å; H24-F26 PolarHBondContact O-N 2.96Å; F26-H28 VanDerWaalsContact C-N 3.3Å; F26-H28 PolarHBondContact O-N 2.91Å; F26-H29 WeakPolarHBondContact O-CB 3.45Å; F26-H29 PolarHBondContact O-N 3.19Å; F26-H29 VanDerWaalsContact O-N 3.14Å; F26-I30 HydrophobicContact CD1-CD1 3.86Å; F26-I30 HydrophobicContact CE1-CD1 3.36Å; F26-I30 HydrophobicContact CE1-CG1 4.39Å; F26-I30 HydrophobicContact CE2-CD1 4.31Å; F26-I30 HydrophobicContact CZ-CD1 3.62Å; F26-I30 HydrophobicContact CZ-CG1 4.32Å; F26-I30 PolarHBondContact O-N 3.35Å |
| 27 | L | 92 | Very high | 89.3 | Confident | 30 Ų | 30 | 99.5 Ų | 99.5 | 16% | 0.157 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -69.2 | -33.9 | 179.9 | -168.2 | 69 | 0 | 0 | 0 | 111.3 | L20 M22 H24 H29 I30 R31 | L20-L27 HydrophobicContact CD2-CD1 4.18Å; M22-L27 HydrophobicContact CB-CD2 3.94Å; M22-L27 HydrophobicContact CE-CD2 4.04Å; M22-L27 HydrophobicContact CG-CD2 4.24Å; M22-L27 HydrophobicContact SD-CD2 3.32Å; M22-L27 WeakPolarHBondContact SD-CD2 3.45Å; H24-L27 PolarHBondContact O-N 3Å; L27-H29 VanDerWaalsContact C-N 3.3Å; L27-H29 PolarHBondContact O-N 3.5Å; L27-I30 HydrophobicContact CD1-CD1 4.3Å; L27-I30 PolarHBondContact O-N 3.18Å; L27-R31 PolarHBondContact O-N 3.06Å |
| 28 | H | 92.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 101 Ų | 101 | 34% | 0.343 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 171.6 | -68.4 | -72.7 | 0 | 0 | 0 | 112.3 | H24 G25 F26 R32 | H24-H28 PolarHBondContact O-CD2 3.48Å; H24-H28 VanDerWaalsContact O-CD2 3.28Å; H24-H28 PolarHBondContact O-N 3.35Å; G25-H28 PolarHBondContact O-N 3.38Å; F26-H28 VanDerWaalsContact C-N 3.3Å; F26-H28 PolarHBondContact O-N 2.91Å; H28-R32 WeakPolarHBondContact O-CB 3.3Å; H28-R32 WeakPolarHBondContact O-CG 3.48Å; H28-R32 PolarHBondContact O-N 3.04Å; H28-R32 PolarHBondContact O-NE 3.38Å |
| 29 | H | 95.2 | Very high | 91.6 | Very high | 109 Ų | 109 | 100.2 Ų | 100.2 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 172.7 | -78.9 | 118.9 | 0 | 0 | 0 | 112.3 | G25 F26 L27 R31 R32 N33 | G25-H29 PolarHBondContact O-N 3.11Å; G25-H29 PolarHBondContact O-ND1 3.47Å; G25-H29 VanDerWaalsContact O-ND1 3.07Å; F26-H29 WeakPolarHBondContact O-CB 3.45Å; F26-H29 PolarHBondContact O-N 3.19Å; F26-H29 VanDerWaalsContact O-N 3.14Å; L27-H29 VanDerWaalsContact C-N 3.3Å; L27-H29 PolarHBondContact O-N 3.5Å; H29-R31 VanDerWaalsContact C-N 3.34Å; H29-R31 PolarHBondContact O-N 3.48Å; H29-R32 PolarHBondContact CD2-NH1 2.84Å; H29-R32 VanDerWaalsContact CD2-NH1 3.27Å; H29-R32 PolarHBondContact CD2-NH2 3.4Å; H29-R32 PolarHBondContact NE2-NH1 3.32Å; H29-R32 PolarHBondContact NE2-NH2 3.23Å; H29-R32 PolarHBondContact O-N 3Å; H29-N33 WeakPolarHBondContact O-CB 3.29Å; H29-N33 PolarHBondContact O-N 2.91Å |
| 30 | I | 93.9 | Very high | 92.3 | Very high | 78 Ų | 78 | 96.4 Ų | 96.4 | 40% | 0.4 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 176.2 | -67.3 | 169.6 | 0 | 0 | 0 | 110.2 | F26 L27 R32 N33 Q34 | F26-I30 HydrophobicContact CD1-CD1 3.86Å; F26-I30 HydrophobicContact CE1-CD1 3.36Å; F26-I30 HydrophobicContact CE1-CG1 4.39Å; F26-I30 HydrophobicContact CE2-CD1 4.31Å; F26-I30 HydrophobicContact CZ-CD1 3.62Å; F26-I30 HydrophobicContact CZ-CG1 4.32Å; F26-I30 PolarHBondContact O-N 3.35Å; L27-I30 HydrophobicContact CD1-CD1 4.3Å; L27-I30 PolarHBondContact O-N 3.18Å; I30-R32 PolarHBondContact O-N 3.31Å; I30-N33 PolarHBondContact O-N 2.85Å; I30-Q34 PolarHBondContact O-N 2.94Å |
| 31 | R | 94.8 | Very high | 93 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 179 | -169.8 | -175.2 | -60.8 | 153.4 | 4.5 | 111.6 | L27 H29 N33 Q34 I35 | L27-R31 PolarHBondContact O-N 3.06Å; H29-R31 VanDerWaalsContact C-N 3.34Å; H29-R31 PolarHBondContact O-N 3.48Å; R31-N33 VanDerWaalsContact C-N 3.32Å; R31-N33 PolarHBondContact O-N 3.4Å; R31-Q34 PolarHBondContact O-N 2.66Å; R31-I35 HydrophobicContact CG-CD1 4.22Å; R31-I35 WeakPolarHBondContact O-CG1 3.46Å; R31-I35 PolarHBondContact O-N 2.96Å |
| 32 | R | 96.4 | Very high | 93.5 | Very high | 140 Ų | 140 | 97.8 Ų | 97.8 | 53% | 0.528 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.9 | -80.3 | -172.8 | -79 | 128.6 | -9 | 112.2 | H28 H29 I30 I35 A36 | H28-R32 WeakPolarHBondContact O-CB 3.3Å; H28-R32 WeakPolarHBondContact O-CG 3.48Å; H28-R32 PolarHBondContact O-N 3.04Å; H28-R32 PolarHBondContact O-NE 3.38Å; H29-R32 PolarHBondContact CD2-NH1 2.84Å; H29-R32 VanDerWaalsContact CD2-NH1 3.27Å; H29-R32 PolarHBondContact CD2-NH2 3.4Å; H29-R32 PolarHBondContact NE2-NH1 3.32Å; H29-R32 PolarHBondContact NE2-NH2 3.23Å; H29-R32 PolarHBondContact O-N 3Å; I30-R32 PolarHBondContact O-N 3.31Å; R32-I35 PolarHBondContact O-N 2.73Å; R32-A36 WeakPolarHBondContact O-CB 3.25Å; R32-A36 PolarHBondContact O-N 3.19Å |
| 33 | N | 95.9 | Very high | 93.9 | Very high | 85 Ų | 85 | 99.2 Ų | 99.2 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.8 | -36.2 | 178.4 | -167.2 | -97.8 | 0 | 0 | 0 | 112.1 | H29 I30 R31 A36 R37 | H29-N33 WeakPolarHBondContact O-CB 3.29Å; H29-N33 PolarHBondContact O-N 2.91Å; I30-N33 PolarHBondContact O-N 2.85Å; R31-N33 VanDerWaalsContact C-N 3.32Å; R31-N33 PolarHBondContact O-N 3.4Å; N33-A36 PolarHBondContact O-N 3.1Å; N33-R37 PolarHBondContact O-N 2.97Å |
| 34 | Q | 96.3 | Very high | 94.3 | Very high | 92 Ų | 92 | 94.8 Ų | 94.8 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 174.3 | -170.4 | 60.6 | 49.7 | 0 | 0 | 111.3 | I30 R31 A36 R37 D38 | I30-Q34 PolarHBondContact O-N 2.94Å; R31-Q34 PolarHBondContact O-N 2.66Å; Q34-A36 VanDerWaalsContact C-N 3.33Å; Q34-A36 PolarHBondContact O-N 3.23Å; Q34-R37 WeakPolarHBondContact O-CB 3.43Å; Q34-R37 PolarHBondContact O-N 3.41Å; Q34-D38 PolarHBondContact NE2-OD1 2.79Å; Q34-D38 PolarHBondContact O-N 3.45Å |
| 35 | I | 95.8 | Very high | 94.6 | Very high | 86 Ų | 86 | 96.7 Ų | 96.7 | 44% | 0.441 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.9 | -65.8 | 164.5 | 0 | 0 | 0 | 110.3 | R31 R32 R37 D38 D39 | R31-I35 HydrophobicContact CG-CD1 4.22Å; R31-I35 WeakPolarHBondContact O-CG1 3.46Å; R31-I35 PolarHBondContact O-N 2.96Å; R32-I35 PolarHBondContact O-N 2.73Å; I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 2.84Å; I35-D38 PolarHBondContact O-N 3.2Å; I35-D38 VanDerWaalsContact O-N 3.16Å; I35-D39 WeakPolarHBondContact CG2-OD2 3.38Å; I35-D39 WeakPolarHBondContact O-CB 3.5Å; I35-D39 PolarHBondContact O-N 3.18Å |
| 36 | A | 96.4 | Very high | 94.6 | Very high | 57 Ų | 57 | 99.5 Ų | 99.5 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -36.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | R32 N33 Q34 Y40 | R32-A36 WeakPolarHBondContact O-CB 3.25Å; R32-A36 PolarHBondContact O-N 3.19Å; N33-A36 PolarHBondContact O-N 3.1Å; Q34-A36 VanDerWaalsContact C-N 3.33Å; Q34-A36 PolarHBondContact O-N 3.23Å; A36-Y40 WeakPolarHBondContact O-CB 3.4Å; A36-Y40 PolarHBondContact O-N 3.49Å |
| 37 | R | 97 | Very high | 94.6 | Very high | 155 Ų | 155 | 96.3 Ų | 96.3 | 59% | 0.585 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.9 | -47.3 | 173 | -80.9 | -178.3 | 160.9 | 145.4 | -3 | 111.9 | N33 Q34 I35 D39 Y40 D41 | N33-R37 PolarHBondContact O-N 2.97Å; Q34-R37 WeakPolarHBondContact O-CB 3.43Å; Q34-R37 PolarHBondContact O-N 3.41Å; I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 2.84Å; R37-D39 VanDerWaalsContact C-N 3.33Å; R37-D39 PolarHBondContact O-N 2.97Å; R37-Y40 PolarHBondContact O-N 3.47Å; R37-D41 WeakPolarHBondContact O-CB 3.49Å; R37-D41 PolarHBondContact O-N 2.77Å |
| 38 | D | 97.2 | Very high | 94.3 | Very high | 84 Ų | 84 | 101.2 Ų | 101.2 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | -178.8 | -63.9 | -13.1 | 0 | 0 | 0 | 111.2 | Q34 I35 D41 K42 | Q34-D38 PolarHBondContact NE2-OD1 2.79Å; Q34-D38 PolarHBondContact O-N 3.45Å; I35-D38 PolarHBondContact O-N 3.2Å; I35-D38 VanDerWaalsContact O-N 3.16Å; D38-D41 PolarHBondContact O-N 3.26Å; D38-K42 VanDerWaalsContact O-CB 3.29Å; D38-K42 WeakPolarHBondContact O-CB 3.41Å; D38-K42 PolarHBondContact O-N 2.88Å |
| 39 | D | 97.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 103.5 Ų | 103.5 | 43% | 0.428 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 175.9 | -74.5 | -24 | 0 | 0 | 0 | 111.3 | I35 R37 D41 K42 E43 | I35-D39 WeakPolarHBondContact CG2-OD2 3.38Å; I35-D39 WeakPolarHBondContact O-CB 3.5Å; I35-D39 PolarHBondContact O-N 3.18Å; R37-D39 VanDerWaalsContact C-N 3.33Å; R37-D39 PolarHBondContact O-N 2.97Å; D39-D41 PolarHBondContact O-N 3.34Å; D39-K42 WeakPolarHBondContact O-CB 3.31Å; D39-K42 PolarHBondContact O-N 2.82Å; D39-E43 WeakPolarHBondContact O-CG 3.23Å; D39-E43 PolarHBondContact O-N 3.18Å |
| 40 | Y | 97.4 | Very high | 92.8 | Very high | 150 Ų | 150 | 103.8 Ų | 103.8 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59 | -48.4 | 174.6 | 177 | -97.5 | 0 | 0 | 0 | 111.9 | A36 R37 K42 E43 V44 | A36-Y40 WeakPolarHBondContact O-CB 3.4Å; A36-Y40 PolarHBondContact O-N 3.49Å; R37-Y40 PolarHBondContact O-N 3.47Å; Y40-K42 VanDerWaalsContact C-N 3.26Å; Y40-K42 PolarHBondContact O-N 3.03Å; Y40-E43 PolarHBondContact O-N 3.35Å; Y40-V44 HydrophobicContact CD1-CG2 4.09Å; Y40-V44 HydrophobicContact CD2-CG2 4.34Å; Y40-V44 HydrophobicContact CE1-CG2 3.66Å; Y40-V44 HydrophobicContact CE2-CG2 3.93Å; Y40-V44 HydrophobicContact CG-CG2 4.42Å; Y40-V44 WeakPolarHBondContact O-CG2 3.26Å; Y40-V44 PolarHBondContact O-N 2.86Å |
| 41 | D | 95.8 | Very high | 91.6 | Very high | 84 Ų | 84 | 107.5 Ų | 107.5 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 178.8 | -85.3 | 3.7 | 0 | 0 | 0 | 111.9 | R37 D38 D39 K45 | R37-D41 WeakPolarHBondContact O-CB 3.49Å; R37-D41 PolarHBondContact O-N 2.77Å; D38-D41 PolarHBondContact O-N 3.26Å; D39-D41 PolarHBondContact O-N 3.34Å; D41-K45 WeakPolarHBondContact O-CB 3.13Å; D41-K45 VanDerWaalsContact O-CG 3.28Å; D41-K45 WeakPolarHBondContact O-CG 3.49Å; D41-K45 PolarHBondContact O-N 3Å |
| 42 | K | 95.8 | Very high | 90.3 | Very high | 122 Ų | 122 | 111.6 Ų | 111.6 | 53% | 0.53 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 175.4 | -176 | -178.4 | 178.6 | -173.5 | 0 | 111.3 | D38 D39 Y40 K45 Q46 | D38-K42 VanDerWaalsContact O-CB 3.29Å; D38-K42 WeakPolarHBondContact O-CB 3.41Å; D38-K42 PolarHBondContact O-N 2.88Å; D39-K42 WeakPolarHBondContact O-CB 3.31Å; D39-K42 PolarHBondContact O-N 2.82Å; Y40-K42 VanDerWaalsContact C-N 3.26Å; Y40-K42 PolarHBondContact O-N 3.03Å; K42-K45 PolarHBondContact O-N 2.93Å; K42-Q46 WeakPolarHBondContact O-CB 3.32Å; K42-Q46 VanDerWaalsContact O-CG 3.31Å; K42-Q46 WeakPolarHBondContact O-CG 3.03Å; K42-Q46 PolarHBondContact O-N 2.98Å |
| 43 | E | 93.5 | Very high | 88.5 | Confident | 129 Ų | 129 | 114.6 Ų | 114.6 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 177.3 | -73.8 | -179.8 | -176.6 | 0 | 0 | 111.9 | D39 Y40 K45 Q46 A47 | D39-E43 WeakPolarHBondContact O-CG 3.23Å; D39-E43 PolarHBondContact O-N 3.18Å; Y40-E43 PolarHBondContact O-N 3.35Å; E43-K45 PolarHBondContact O-N 3.38Å; E43-Q46 PolarHBondContact O-N 3.04Å; E43-A47 WeakPolarHBondContact O-CB 3.47Å; E43-A47 PolarHBondContact O-N 3.34Å |
| 44 | V | 93.8 | Very high | 87 | Confident | 44 Ų | 44 | 120.6 Ų | 120.6 | 27% | 0.267 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -42.9 | 177 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | Y40 A47 K48 | Y40-V44 HydrophobicContact CD1-CG2 4.09Å; Y40-V44 HydrophobicContact CD2-CG2 4.34Å; Y40-V44 HydrophobicContact CE1-CG2 3.66Å; Y40-V44 HydrophobicContact CE2-CG2 3.93Å; Y40-V44 HydrophobicContact CG-CG2 4.42Å; Y40-V44 WeakPolarHBondContact O-CG2 3.26Å; Y40-V44 PolarHBondContact O-N 2.86Å; V44-A47 PolarHBondContact O-N 3.02Å; V44-K48 HydrophobicContact CG1-CD 4.32Å; V44-K48 WeakPolarHBondContact O-CB 3.43Å; V44-K48 WeakPolarHBondContact O-CG 3.34Å; V44-K48 PolarHBondContact O-N 3.46Å |
| 45 | K | 92.3 | Very high | 85.4 | Confident | 144 Ų | 144 | 124.5 Ų | 124.5 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.6 | -45.4 | 174.9 | -77.7 | 172.3 | -177.5 | 168.9 | 0 | 111.4 | D41 K42 E43 K48 E49 | D41-K45 WeakPolarHBondContact O-CB 3.13Å; D41-K45 VanDerWaalsContact O-CG 3.28Å; D41-K45 WeakPolarHBondContact O-CG 3.49Å; D41-K45 PolarHBondContact O-N 3Å; K42-K45 PolarHBondContact O-N 2.93Å; E43-K45 PolarHBondContact O-N 3.38Å; K45-K48 PolarHBondContact O-N 3.11Å; K45-E49 WeakPolarHBondContact O-CB 3.31Å; K45-E49 PolarHBondContact O-N 2.61Å |
| 46 | Q | 90.8 | Very high | 83.3 | Confident | 96 Ų | 96 | 125.7 Ų | 125.7 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.5 | -42.9 | 177.3 | -73.7 | -178.9 | 10.9 | 0 | 0 | 112 | K42 E43 K48 E49 L50 | K42-Q46 WeakPolarHBondContact O-CB 3.32Å; K42-Q46 VanDerWaalsContact O-CG 3.31Å; K42-Q46 WeakPolarHBondContact O-CG 3.03Å; K42-Q46 PolarHBondContact O-N 2.98Å; E43-Q46 PolarHBondContact O-N 3.04Å; Q46-K48 PolarHBondContact O-N 3.05Å; Q46-E49 PolarHBondContact O-N 3.31Å; Q46-L50 WeakPolarHBondContact O-CB 3.48Å; Q46-L50 VanDerWaalsContact O-CG 3.29Å; Q46-L50 WeakPolarHBondContact O-CG 3.29Å; Q46-L50 PolarHBondContact O-N 3.09Å |
| 47 | A | 86.6 | Confident | 81.6 | Confident | 48 Ų | 48 | 130 Ų | 130 | 40% | 0.397 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.6 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E43 V44 E49 L50 Q51 | E43-A47 WeakPolarHBondContact O-CB 3.47Å; E43-A47 PolarHBondContact O-N 3.34Å; V44-A47 PolarHBondContact O-N 3.02Å; A47-E49 VanDerWaalsContact C-N 3.35Å; A47-E49 PolarHBondContact O-N 2.86Å; A47-L50 PolarHBondContact O-N 2.98Å; A47-Q51 WeakPolarHBondContact O-CB 3.46Å; A47-Q51 WeakPolarHBondContact O-CG 3.47Å; A47-Q51 PolarHBondContact O-N 3.26Å |
| 48 | K | 86.3 | Confident | 79.6 | Confident | 133 Ų | 133 | 127.3 Ų | 127.3 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.3 | -40.7 | 173.5 | -75.3 | -179.7 | 177.4 | -179.6 | 0 | 112 | V44 K45 Q46 Q51 R52 | V44-K48 HydrophobicContact CG1-CD 4.32Å; V44-K48 WeakPolarHBondContact O-CB 3.43Å; V44-K48 WeakPolarHBondContact O-CG 3.34Å; V44-K48 PolarHBondContact O-N 3.46Å; K45-K48 PolarHBondContact O-N 3.11Å; Q46-K48 PolarHBondContact O-N 3.05Å; K48-Q51 PolarHBondContact O-N 3.26Å; K48-R52 WeakPolarHBondContact O-CB 3.39Å; K48-R52 VanDerWaalsContact O-CG 3.29Å; K48-R52 WeakPolarHBondContact O-CG 3.23Å; K48-R52 PolarHBondContact O-N 3.34Å |
| 49 | E | 82.5 | Confident | 77.8 | Confident | 121 Ų | 121 | 128.4 Ų | 128.4 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.3 | -45.4 | 177.3 | -172.3 | 178.4 | 173.1 | 0 | 0 | 111.7 | K45 Q46 A47 Q51 R52 R53 | K45-E49 WeakPolarHBondContact O-CB 3.31Å; K45-E49 PolarHBondContact O-N 2.61Å; Q46-E49 PolarHBondContact O-N 3.31Å; A47-E49 VanDerWaalsContact C-N 3.35Å; A47-E49 PolarHBondContact O-N 2.86Å; E49-Q51 VanDerWaalsContact C-N 3.32Å; E49-Q51 PolarHBondContact O-N 2.98Å; E49-R52 CarbonylContact O-C 3.52Å; E49-R52 WeakPolarHBondContact O-CA 3.49Å; E49-R52 PolarHBondContact O-N 3.37Å; E49-R52 VanDerWaalsContact O-N 3.1Å; E49-R53 WeakPolarHBondContact O-CB 3.3Å; E49-R53 PolarHBondContact O-N 2.8Å |
| 50 | L | 73.1 | Confident | 76.1 | Confident | 116 Ų | 116 | 136.4 Ų | 136.4 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.1 | -39.7 | 176 | -73.8 | 172.1 | 0 | 0 | 0 | 112 | Q46 A47 R53 | Q46-L50 WeakPolarHBondContact O-CB 3.48Å; Q46-L50 VanDerWaalsContact O-CG 3.29Å; Q46-L50 WeakPolarHBondContact O-CG 3.29Å; Q46-L50 PolarHBondContact O-N 3.09Å; A47-L50 PolarHBondContact O-N 2.98Å; L50-R53 PolarHBondContact O-N 2.88Å |
| 51 | Q | 69.9 | Low | 74.5 | Confident | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.3 | -43.8 | 171.6 | -75.4 | -178.2 | -10.3 | 0 | 0 | 111.5 | A47 K48 E49 R53 R54 | A47-Q51 WeakPolarHBondContact O-CB 3.46Å; A47-Q51 WeakPolarHBondContact O-CG 3.47Å; A47-Q51 PolarHBondContact O-N 3.26Å; K48-Q51 PolarHBondContact O-N 3.26Å; E49-Q51 VanDerWaalsContact C-N 3.32Å; E49-Q51 PolarHBondContact O-N 2.98Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 3.27Å; Q51-R54 PolarHBondContact O-N 2.87Å |
| 52 | R | 65.4 | Low | 73.3 | Confident | 223 Ų | 223 | 141.5 Ų | 141.5 | 84% | 0.842 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.1 | -28.9 | 174.4 | -72.7 | -177 | 71 | -168 | 2 | 113.1 | K48 E49 R54 | K48-R52 WeakPolarHBondContact O-CB 3.39Å; K48-R52 VanDerWaalsContact O-CG 3.29Å; K48-R52 WeakPolarHBondContact O-CG 3.23Å; K48-R52 PolarHBondContact O-N 3.34Å; E49-R52 CarbonylContact O-C 3.52Å; E49-R52 WeakPolarHBondContact O-CA 3.49Å; E49-R52 PolarHBondContact O-N 3.37Å; E49-R52 VanDerWaalsContact O-N 3.1Å; R52-R54 PolarHBondContact O-N 3.08Å |
| 53 | R | 60.3 | Low | 71.9 | Confident | 202 Ų | 202 | 147.1 Ų | 147.1 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -3.2 | -178.1 | -130.3 | -178.6 | 175.1 | -150.6 | -1.6 | 113.5 | E49 L50 Q51 | E49-R53 WeakPolarHBondContact O-CB 3.3Å; E49-R53 PolarHBondContact O-N 2.8Å; L50-R53 PolarHBondContact O-N 2.88Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 3.27Å |
| 54 | R | 64.6 | Low | 70.6 | Confident | 212 Ų | 212 | 152.3 Ų | 152.3 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -120.4 | 72.9 | 172.8 | -72.6 | -172.3 | 167.3 | -162.4 | -1.7 | 111.2 | Q51 R52 | Q51-R54 PolarHBondContact O-N 2.87Å; R52-R54 PolarHBondContact O-N 3.08Å |
| 55 | H | 60.9 | Low | 69.6 | Low | 174 Ų | 174 | 155.6 Ų | 155.6 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -157 | 106.6 | 142.8 | -109.7 | -79.3 | 0 | 0 | 0 | 109 | ||
| 56 | T | 52.8 | Low | 68.8 | Low | 111 Ų | 111 | 156.5 Ų | 156.5 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | 86.4 | 94.5 | 175.8 | 77.9 | 0 | 0 | 0 | 0 | 117.9 | T58 | T56-T58 HydrophobicContact CG2-CG2 4.25Å; T56-T58 PolarHBondContact O-N 2.97Å; T56-T58 VanDerWaalsContact O-N 3.14Å | ||
| 57 | T | 60 | Low | 68 | Low | 147 Ų | 147 | 158.5 Ų | 158.5 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | -69.1 | 80.9 | 128.9 | 11.5 | 0 | 0 | 0 | 0 | 105.6 | P59 | T57-P59 WeakPolarHBondContact O-CD 3.37Å; T57-P59 VanDerWaalsContact O-N 3.13Å | |||
| 58 | T | 56.1 | Low | 67.5 | Low | 99 Ų | 99 | 163.7 Ų | 163.7 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | trans | -55.3 | 123.4 | 168.6 | 43.6 | 0 | 0 | 0 | 0 | 106.7 | T56 R60 | T56-T58 HydrophobicContact CG2-CG2 4.25Å; T56-T58 PolarHBondContact O-N 2.97Å; T56-T58 VanDerWaalsContact O-N 3.14Å; T58-R60 PolarHBondContact O-N 2.87Å; T58-R60 VanDerWaalsContact O-N 3.15Å | ||
| 59 | P | 58.6 | Low | 67.1 | Low | 107 Ų | 107 | 163.8 Ų | 163.8 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | -54.7 | 129.3 | 169.5 | 23 | -31.1 | 0 | 0 | 0 | 106.9 | T57 R61 | T57-P59 WeakPolarHBondContact O-CD 3.37Å; T57-P59 VanDerWaalsContact O-N 3.13Å; P59-R61 PolarHBondContact O-N 2.8Å | ||
| 60 | R | 61.3 | Low | 66.7 | Low | 248 Ų | 248 | 166.1 Ų | 166.1 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | trans | -61.9 | 78.5 | 168.7 | -89.7 | 179.7 | 144.2 | -160.2 | -3.6 | 107.6 | T58 | T58-R60 PolarHBondContact O-N 2.87Å; T58-R60 VanDerWaalsContact O-N 3.15Å | ||
| 61 | R | 64.6 | Low | 66.9 | Low | 219 Ų | 219 | 167.7 Ų | 167.7 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 125.4 | 157 | -78.4 | -174.8 | 176 | 174 | -0.3 | 105 | P59 R63 | P59-R61 PolarHBondContact O-N 2.8Å; R61-R63 PolarHBondContact O-N 3.48Å; R61-R63 VanDerWaalsContact O-N 3.17Å |
| 62 | P | 69.3 | Low | 67.1 | Low | 121 Ų | 121 | 164.7 Ų | 164.7 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.9 | 172.1 | 22.6 | -30.4 | 0 | 0 | 0 | 107.4 | R64 | P62-R64 PolarHBondContact O-N 2.84Š|
| 63 | R | 67.6 | Low | 67.3 | Low | 240 Ų | 240 | 165.2 Ų | 165.2 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 129.1 | 175.2 | -63.4 | -179 | 93.8 | 154.3 | 3.3 | 106.4 | R61 | R61-R63 PolarHBondContact O-N 3.48Å; R61-R63 VanDerWaalsContact O-N 3.17Å |
| 64 | R | 65.8 | Low | 67.4 | Low | 238 Ų | 238 | 164.8 Ų | 164.8 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131.8 | 169.9 | -74.9 | -177.7 | 175.6 | 170.3 | -2.1 | 107 | P62 | P62-R64 PolarHBondContact O-N 2.84Š|
| 65 | P | 73.6 | Confident | 66.8 | Low | 114 Ų | 114 | 165.2 Ų | 165.2 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.7 | 178.3 | 25.6 | -33.4 | 0 | 0 | 0 | 109.1 | I67 | P65-I67 PolarHBondContact O-N 3.12Š|
| 66 | D | 74.3 | Confident | 66.3 | Low | 162 Ų | 162 | 168.6 Ų | 168.6 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 121.2 | -178.1 | -146.7 | 5.5 | 0 | 0 | 0 | 108.9 | Q68 | D66-Q68 PolarHBondContact O-N 3.34Š|
| 67 | I | 75.3 | Confident | 66.2 | Low | 139 Ų | 139 | 166.6 Ų | 166.6 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 116.5 | 176.2 | -62.6 | 173.4 | 0 | 0 | 0 | 105.3 | P65 V69 | P65-I67 PolarHBondContact O-N 3.12Å; I67-V69 HydrophobicContact CG2-CG2 4.3Å; I67-V69 WeakPolarHBondContact O-CG2 3.07Å; I67-V69 PolarHBondContact O-N 2.92Å |
| 68 | Q | 75.3 | Confident | 65.3 | Low | 156 Ų | 156 | 164.5 Ų | 164.5 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 96 | 173 | -70.5 | -174.1 | 36.1 | 0 | 0 | 108.9 | D66 Y70 | D66-Q68 PolarHBondContact O-N 3.34Å; Q68-Y70 VanDerWaalsContact C-N 3.26Å | ||
| 69 | V | 78.7 | Confident | 64.3 | Low | 135 Ų | 135 | 168.5 Ų | 168.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -77.1 | -16.2 | -179.4 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | I67 | I67-V69 HydrophobicContact CG2-CG2 4.3Å; I67-V69 WeakPolarHBondContact O-CG2 3.07Å; I67-V69 PolarHBondContact O-N 2.92Å | ||
| 70 | Y | 73.9 | Confident | 64 | Low | 171 Ų | 171 | 168.4 Ų | 168.4 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | -119.9 | 118.8 | -175.8 | -170.8 | -107.4 | 0 | 0 | 0 | 111.5 | Q68 P72 | Q68-Y70 VanDerWaalsContact C-N 3.26Å; Y70-P72 HydrophobicContact CD1-CB 4.39Å; Y70-P72 HydrophobicContact CD1-CG 3.83Å; Y70-P72 HydrophobicContact CE1-CB 3.74Å; Y70-P72 HydrophobicContact CE1-CG 3.65Å | ||
| 71 | H | 76.2 | Confident | 62.6 | Low | 148 Ų | 148 | 164.7 Ų | 164.7 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -103 | 106.5 | 164.5 | -68.1 | -56.5 | 0 | 0 | 0 | 108 | R73 | H71-R73 PolarHBondContact O-N 2.92Š| ||
| 72 | P | 75.7 | Confident | 61.2 | Low | 93 Ų | 93 | 160.8 Ų | 160.8 | 60% | 0.604 | 79% | 0.789 | S | S | * | * | trans | -57.8 | 126.8 | 177.1 | -16.2 | 25.8 | 0 | 0 | 0 | 109.4 | Y70 Q74 | Y70-P72 HydrophobicContact CD1-CB 4.39Å; Y70-P72 HydrophobicContact CD1-CG 3.83Å; Y70-P72 HydrophobicContact CE1-CB 3.74Å; Y70-P72 HydrophobicContact CE1-CG 3.65Å; P72-Q74 PolarHBondContact O-N 2.83Å; P72-Q74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | R | 68.2 | Low | 59.6 | Low | 233 Ų | 233 | 158.3 Ų | 158.3 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 114.9 | 176 | -164.9 | 173.8 | 174.3 | -158.1 | -1.8 | 107.7 | H71 R75 | H71-R73 PolarHBondContact O-N 2.92Å; R73-R75 PolarHBondContact O-N 3.29Å | ||
| 74 | Q | 62.4 | Low | 58.2 | Low | 194 Ų | 194 | 151.4 Ų | 151.4 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -59.5 | 104.8 | 175.1 | -71.9 | -171 | -1.7 | 0 | 0 | 109 | P72 R76 | P72-Q74 PolarHBondContact O-N 2.83Å; P72-Q74 VanDerWaalsContact O-N 3.16Å; Q74-R76 PolarHBondContact O-N 2.88Å | ||
| 75 | R | 52.5 | Low | 57.1 | Low | 221 Ų | 221 | 147.3 Ų | 147.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -87.5 | 95.9 | -176.7 | -149.8 | -178.5 | -172.1 | -157.5 | 1.5 | 108.2 | R73 | R73-R75 PolarHBondContact O-N 3.29Š| ||
| 76 | R | 50.4 | Low | 56 | Low | 244 Ų | 244 | 146.8 Ų | 146.8 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -61.8 | 133 | 154.6 | -96.9 | -174 | -174.1 | -99.3 | 0.3 | 107.2 | Q74 | Q74-R76 PolarHBondContact O-N 2.88Š| ||
| 77 | G | 50.4 | Low | 54.7 | Low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -70.3 | 159.2 | -155.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 78 | S | 41.9 | Very low | 52.9 | Low | 102 Ų | 102 | 149.5 Ų | 149.5 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -171.5 | 125.5 | 142.7 | 36.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 79 | E | 35.3 | Very low | 51.3 | Low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -68.9 | -167 | 173.3 | -58.3 | 177 | 116.9 | 0 | 0 | 111.6 | ||||
| 80 | P | 51.2 | Low | 49.7 | Very low | 105 Ų | 105 | 153.7 Ų | 153.7 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | -124.2 | -175.5 | -59.1 | 28 | -8.7 | 0 | 0 | 0 | 110.8 | |||||
| 81 | E | 32.5 | Very low | 48.5 | Very low | 171 Ų | 171 | 154.4 Ų | 154.4 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | 125 | 133.3 | 142 | -61.6 | -150.5 | 145.7 | 0 | 0 | 118.1 | ||||
| 82 | T | 34.8 | Very low | 46.9 | Very low | 136 Ų | 136 | 153 Ų | 153 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | 88.2 | 115.9 | 152.1 | -14.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 83 | G | 36.7 | Very low | 45.7 | Very low | 70 Ų | 70 | 152 Ų | 152 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -86 | -151.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 84 | A | 38 | Very low | 45 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 90.7 | 124.2 | -159.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 85 | D | 42.7 | Very low | 44.4 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | cis | -159.4 | 155.3 | 17.3 | -124.1 | -80 | 0 | 0 | 0 | 107.8 | ||||
| 86 | P | 48.6 | Very low | 44.1 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | trans | -91.3 | 138.5 | 178.3 | 34.1 | -25.6 | 0 | 0 | 0 | 112.6 | ||||
| 87 | E | 47.5 | Very low | 43.7 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 53.7 | 87.2 | 142.7 | -59.8 | -91.6 | 135.7 | 0 | 0 | 117.5 | ||||
| 88 | E | 38.8 | Very low | 43.4 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -94.9 | 95.8 | 156.5 | -156.9 | 175.5 | -164.5 | 0 | 0 | 109.2 | N90 | E88-N90 PolarHBondContact O-N 3.18Š| ||
| 89 | W | 41.1 | Very low | 43.7 | Very low | 230 Ų | 230 | 138.9 Ų | 138.9 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -47 | 115.4 | 161.5 | -109.5 | -18.8 | 0 | 0 | 0 | 109.1 | E91 | W89-E91 PolarHBondContact O-N 2.6Š| ||
| 90 | N | 45.8 | Very low | 44.3 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -74.2 | 96.9 | 167.2 | -81.2 | -89.7 | 0 | 0 | 0 | 108.2 | E88 S92 | E88-N90 PolarHBondContact O-N 3.18Å; N90-S92 VanDerWaalsContact C-N 3.33Å; N90-S92 PolarHBondContact O-N 2.99Å | ||
| 91 | E | 47.3 | Very low | 44.3 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -53.8 | 96.4 | 158.6 | -71.6 | -125.7 | 129.1 | 0 | 0 | 109.2 | W89 G93 | W89-E91 PolarHBondContact O-N 2.6Å; E91-G93 VanDerWaalsContact C-N 3.26Å; E91-G93 PolarHBondContact O-N 3.19Å | ||
| 92 | S | 43.7 | Very low | 45.7 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -85.4 | 78 | 163 | -71.1 | 0 | 0 | 0 | 0 | 108.7 | N90 S94 | N90-S92 VanDerWaalsContact C-N 3.33Å; N90-S92 PolarHBondContact O-N 2.99Å; S92-S94 PolarHBondContact O-N 3.35Å | ||
| 93 | G | 50.7 | Low | 47.9 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | -69.1 | 110.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E91 | E91-G93 VanDerWaalsContact C-N 3.26Å; E91-G93 PolarHBondContact O-N 3.19Å | ||
| 94 | S | 53.3 | Low | 50.3 | Low | 121 Ų | 121 | 137.8 Ų | 137.8 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | -105.9 | 108.7 | 172.4 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | S92 | S92-S94 PolarHBondContact O-N 3.35Š| ||
| 95 | S | 50.2 | Low | 52.6 | Low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -43.8 | 146.6 | 168.7 | -45.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 96 | T | 45.1 | Very low | 54.9 | Low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | -169.2 | 131.4 | 56.6 | 38.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 97 | E | 42.6 | Very low | 57 | Low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | trans | 145.9 | 108.4 | 144.2 | -86.4 | -171 | 95.4 | 0 | 0 | 108.2 | E99 | E97-E99 PolarHBondContact O-N 3.36Š| ||
| 98 | T | 44.8 | Very low | 59.1 | Low | 148 Ų | 148 | 123.9 Ų | 123.9 | 91% | 0.908 | 64% | 0.644 | S | S | * | * | trans | -69.5 | 59.4 | 160 | 44.1 | 0 | 0 | 0 | 0 | 109.2 | I100 | T98-I100 PolarHBondContact O-N 2.94Š| ||
| 99 | E | 46.2 | Very low | 61.7 | Low | 140 Ų | 140 | 120 Ų | 120 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | trans | -84.4 | 95.6 | 160.4 | -99 | -177.6 | 151.1 | 0 | 0 | 106.7 | E97 H101 | E97-E99 PolarHBondContact O-N 3.36Å; E99-H101 PolarHBondContact O-N 3.17Å | ||
| 100 | I | 49.8 | Very low | 64 | Low | 136 Ų | 136 | 110.8 Ų | 110.8 | 70% | 0.697 | 60% | 0.595 | S | S | * | * | trans | -19.8 | 109 | 157.8 | -56.1 | 161.2 | 0 | 0 | 0 | 107.9 | T98 R102 | T98-I100 PolarHBondContact O-N 2.94Å; I100-R102 WeakPolarHBondContact O-CG 3.33Å; I100-R102 PolarHBondContact O-N 2.92Å | ||
| 101 | H | 50.6 | Low | 66.2 | Low | 174 Ų | 174 | 110 Ų | 110 | 81% | 0.806 | 59% | 0.586 | S | S | * | * | trans | -56.4 | 82.2 | -172 | -50.2 | -68 | 0 | 0 | 0 | 111.4 | E99 T103 | E99-H101 PolarHBondContact O-N 3.17Å; H101-T103 PolarHBondContact O-N 2.73Å; H101-T103 VanDerWaalsContact O-N 3.11Å | ||
| 102 | R | 61.6 | Low | 68 | Low | 147 Ų | 147 | 103 Ų | 103 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | trans | -73.8 | 108.9 | 177 | -70.8 | -171.4 | -173.1 | 176 | 5.8 | 105.6 | I100 E104 H123 E125 | I100-R102 WeakPolarHBondContact O-CG 3.33Å; I100-R102 PolarHBondContact O-N 2.92Å; R102-E104 PolarHBondContact O-N 2.82Å; R102-E104 VanDerWaalsContact O-N 3.08Å; R102-H123 HydrophobicContact CB-CB 4.01Å; R102-H123 VanDerWaalsContact CB-CD2 3.47Å; R102-H123 WeakPolarHBondContact CB-CD2 3.24Å; R102-E125 VanDerWaalsContact CA-OE2 3.31Å; R102-E125 WeakPolarHBondContact CA-OE2 3.34Å | ||
| 103 | T | 80.9 | Confident | 70.1 | Confident | 50 Ų | 50 | 105.9 Ų | 105.9 | 31% | 0.307 | 56% | 0.56 | S | S | . | * | trans | -74.7 | 107.8 | -176.6 | 42.6 | 0 | 0 | 0 | 0 | 108.4 | H101 L105 H123 K124 E125 | H101-T103 PolarHBondContact O-N 2.73Å; H101-T103 VanDerWaalsContact O-N 3.11Å; T103-L105 PolarHBondContact O-N 2.78Å; T103-H123 CarbonylContact O-C 3.54Å; T103-H123 WeakPolarHBondContact O-CA 3.43Å; T103-K124 WeakPolarHBondContact O-CB 3.34Å; T103-K124 PolarHBondContact O-N 3.28Å; T103-K124 WeakPolarHBondContact OG1-CB 3.37Å; T103-K124 VanDerWaalsContact OG1-CD 3.32Å; T103-K124 WeakPolarHBondContact OG1-CD 3.4Å; T103-E125 PolarHBondContact N-OE1 3.07Å; T103-E125 PolarHBondContact N-OE2 3.39Å; T103-E125 PolarHBondContact OG1-OE1 3.01Å | ||
| 104 | E | 87.7 | Confident | 71.6 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -55.6 | 128.5 | 176 | -62 | -179.7 | -177.9 | 0 | 0 | 110 | R102 L121 | R102-E104 PolarHBondContact O-N 2.82Å; R102-E104 VanDerWaalsContact O-N 3.08Å; E104-L121 HydrophobicContact CB-CD1 4.29Å; E104-L121 HydrophobicContact CG-CD1 4.21Å; E104-L121 HydrophobicContact CG-CD2 4.15Å; E104-L121 HydrophobicContact CG-CG 4.49Å |
| 105 | L | 86.8 | Confident | 73.2 | Confident | 34 Ų | 34 | 102.5 Ų | 102.5 | 18% | 0.178 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -53 | 176.8 | -75.8 | 178.2 | 0 | 0 | 0 | 111.8 | T103 V122 K124 I157 R160 | T103-L105 PolarHBondContact O-N 2.78Å; L105-V122 PolarHBondContact N-O 3.14Å; L105-K124 VanDerWaalsContact CD1-CA 3.48Å; L105-K124 HydrophobicContact CD1-CB 4.15Å; L105-K124 HydrophobicContact CD1-CG 4.46Å; L105-K124 HydrophobicContact CD2-CB 4.2Å; L105-K124 HydrophobicContact CD2-CG 4.36Å; L105-K124 HydrophobicContact CG-CB 3.93Å; L105-K124 HydrophobicContact CG-CG 4.5Å; L105-I157 HydrophobicContact CD1-CB 4.33Å; L105-I157 HydrophobicContact CD1-CG1 4.08Å; L105-I157 HydrophobicContact CD1-CG2 3.94Å; L105-R160 HydrophobicContact CD2-CB 4.19Å; L105-R160 PolarHBondContact O-NH1 2.69Å |
| 106 | F | 89.4 | Confident | 75 | Confident | 15 Ų | 15 | 101.4 Ų | 101.4 | 7% | 0.066 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 159.3 | -174.2 | 69 | -90 | 0 | 0 | 0 | 114.5 | L108 V122 I153 E156 I157 R160 | F106-L108 HydrophobicContact CD2-CB 4.29Å; F106-L108 HydrophobicContact CE2-CB 3.91Å; F106-L108 HydrophobicContact CE2-CD1 4.33Å; F106-V122 HydrophobicContact CD1-CB 4.12Å; F106-V122 HydrophobicContact CD1-CG1 4.27Å; F106-V122 HydrophobicContact CD2-CB 4.43Å; F106-V122 HydrophobicContact CD2-CG2 4.3Å; F106-V122 HydrophobicContact CE1-CB 3.98Å; F106-V122 HydrophobicContact CE1-CG1 3.77Å; F106-V122 HydrophobicContact CE1-CG2 4.39Å; F106-V122 HydrophobicContact CE2-CB 4.3Å; F106-V122 HydrophobicContact CE2-CG2 3.91Å; F106-V122 HydrophobicContact CG-CB 4.32Å; F106-V122 HydrophobicContact CZ-CB 4.07Å; F106-V122 HydrophobicContact CZ-CG1 4.02Å; F106-V122 HydrophobicContact CZ-CG2 3.95Å; F106-V122 PolarHBondContact N-O 2.72Å; F106-V122 PolarHBondContact O-N 3.42Å; F106-I153 HydrophobicContact CZ-CG2 4.42Å; F106-E156 HydrophobicContact CD1-CG 4.36Å; F106-E156 HydrophobicContact CE1-CB 4.3Å; F106-E156 HydrophobicContact CE1-CG 4.02Å; F106-E156 HydrophobicContact CE2-CG 4.31Å; F106-E156 HydrophobicContact CZ-CB 4.15Å; F106-E156 HydrophobicContact CZ-CG 4.01Å; F106-I157 HydrophobicContact CE1-CG1 3.8Å; F106-I157 HydrophobicContact CZ-CG1 4.42Å; F106-R160 VanDerWaalsContact CB-CZ 3.44Å |
| 107 | W | 92.6 | Very high | 77.3 | Confident | 159 Ų | 159 | 99.3 Ų | 99.3 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 123.1 | 165.1 | -74.8 | 92 | 0 | 0 | 0 | 109.9 | F120 L121 | W107-F120 WeakPolarHBondContact CA-O 3.47Å; W107-L121 HydrophobicContact CD2-CB 4.43Å; W107-L121 HydrophobicContact CD2-CD1 4.2Å; W107-L121 HydrophobicContact CE3-CB 4.26Å; W107-L121 HydrophobicContact CG-CD1 4.48Å; W107-L121 HydrophobicContact CH2-CB 3.99Å; W107-L121 HydrophobicContact CZ2-CB 4.14Å; W107-L121 HydrophobicContact CZ2-CD1 4.1Å; W107-L121 HydrophobicContact CZ2-CD2 4.41Å; W107-L121 HydrophobicContact CZ2-CG 4.46Å; W107-L121 HydrophobicContact CZ3-CB 4.05Å |
| 108 | L | 92.4 | Very high | 79.6 | Confident | 24 Ų | 24 | 93.1 Ų | 93.1 | 13% | 0.126 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 109.2 | 172.1 | 175.9 | 67.7 | 0 | 0 | 0 | 108.5 | F106 S119 F120 V122 V131 V135 I153 | F106-L108 HydrophobicContact CD2-CB 4.29Å; F106-L108 HydrophobicContact CE2-CB 3.91Å; F106-L108 HydrophobicContact CE2-CD1 4.33Å; L108-S119 CarbonylContact O-C 3.46Å; L108-S119 WeakPolarHBondContact O-CA 3.47Å; L108-F120 HydrophobicContact CB-CB 4.34Å; L108-F120 PolarHBondContact N-O 2.72Å; L108-F120 PolarHBondContact O-N 3.03Å; L108-V122 HydrophobicContact CB-CG2 4.12Å; L108-V131 HydrophobicContact CD2-CG1 4.04Å; L108-V135 HydrophobicContact CD2-CG2 3.83Å; L108-I153 HydrophobicContact CD2-CD1 3.77Å; L108-I153 HydrophobicContact CD2-CG1 4.22Å |
| 109 | D | 93.2 | Very high | 81.8 | Confident | 102 Ų | 102 | 88.9 Ų | 88.9 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.2 | 171.2 | -64.1 | -28.1 | 0 | 0 | 0 | 109.4 | V117 S119 | D109-V117 HydrophobicContact CB-CG1 4.12Å; D109-S119 WeakPolarHBondContact OD1-CB 3.41Å; D109-S119 PolarHBondContact OD1-OG 3.44Å |
| 110 | Y | 89.4 | Confident | 83.9 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 14% | 0.141 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.3 | 174.6 | 177.2 | -97 | 0 | 0 | 0 | 109.4 | E112 V117 T118 V135 N139 L141 M145 | Y110-E112 HydrophobicContact CD1-CG 4.21Å; Y110-E112 HydrophobicContact CE1-CB 4.47Å; Y110-E112 HydrophobicContact CE1-CG 3.54Å; Y110-V117 CarbonylContact O-C 3.58Å; Y110-V117 VanDerWaalsContact O-CA 3.3Å; Y110-V117 WeakPolarHBondContact O-CA 3.2Å; Y110-T118 PolarHBondContact N-O 2.98Å; Y110-T118 PolarHBondContact O-N 2.74Å; Y110-T118 PolarHBondContact O-OG1 3.28Å; Y110-V135 HydrophobicContact CG-CG1 4.28Å; Y110-N139 HydrophobicContact CD1-CB 3.95Å; Y110-N139 VanDerWaalsContact CD1-CG 3.42Å; Y110-N139 VanDerWaalsContact CD1-OD1 3.29Å; Y110-N139 WeakPolarHBondContact CD1-OD1 3.41Å; Y110-N139 HydrophobicContact CE1-CB 3.67Å; Y110-L141 HydrophobicContact CE1-CD2 3.99Å; Y110-L141 HydrophobicContact CE2-CD2 3.8Å; Y110-L141 WeakPolarHBondContact OH-CD2 3.16Å; Y110-M145 HydrophobicContact CE2-CE 4.35Å; Y110-M145 VanDerWaalsContact OH-CE 3.26Å; Y110-M145 WeakPolarHBondContact OH-CE 3.31Å |
| 111 | Q | 91.6 | Very high | 85.8 | Confident | 131 Ų | 131 | 77.6 Ų | 77.6 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 123 | 177.3 | -177.2 | 177.2 | -8.6 | 0 | 0 | 109.3 | V116 V117 | Q111-V116 WeakPolarHBondContact CA-O 3.33Å; Q111-V117 HydrophobicContact CB-CG2 4.16Å; Q111-V117 HydrophobicContact CG-CG2 4.08Å |
| 112 | E | 86.4 | Confident | 87.7 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | trans | -78 | 165.4 | 171.6 | -75.7 | -171 | 157.4 | 0 | 0 | 112.5 | Y110 S114 G115 V116 N139 V140 | Y110-E112 HydrophobicContact CD1-CG 4.21Å; Y110-E112 HydrophobicContact CE1-CB 4.47Å; Y110-E112 HydrophobicContact CE1-CG 3.54Å; E112-S114 WeakPolarHBondContact CB-OG 3.44Å; E112-S114 PolarHBondContact O-N 2.7Å; E112-S114 PolarHBondContact OE2-OG 3.36Å; E112-S114 VanDerWaalsContact OE2-OG 3.12Å; E112-G115 WeakPolarHBondContact O-CA 3.21Å; E112-G115 PolarHBondContact O-N 3.42Å; E112-V116 PolarHBondContact N-O 2.67Å; E112-N139 HydrophobicContact CG-CB 4.28Å; E112-N139 WeakPolarHBondContact OE1-CA 3.42Å; E112-N139 VanDerWaalsContact OE1-CB 3.24Å; E112-N139 WeakPolarHBondContact OE1-CB 3.17Å; E112-N139 PolarHBondContact OE1-OD1 3.41Å; E112-V140 PolarHBondContact OE1-N 2.9Å; E112-V140 VanDerWaalsContact OE1-N 3.09Å | ||
| 113 | D | 86 | Confident | 89 | Confident | 178 Ų | 178 | 63.8 Ų | 63.8 | 95% | 0.952 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.3 | 171.8 | -61.6 | -23.3 | 0 | 0 | 0 | 112.6 | G115 | D113-G115 PolarHBondContact O-N 3.27Š|
| 114 | S | 84 | Confident | 89.2 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.9 | 172.6 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | E112 V116 | E112-S114 WeakPolarHBondContact CB-OG 3.44Å; E112-S114 PolarHBondContact O-N 2.7Å; E112-S114 PolarHBondContact OE2-OG 3.36Å; E112-S114 VanDerWaalsContact OE2-OG 3.12Å; S114-V116 VanDerWaalsContact C-N 3.27Å; S114-V116 WeakPolarHBondContact OG-CG2 3.38Å; S114-V116 PolarHBondContact OG-N 3.02Å |
| 115 | G | 85.6 | Confident | 89.1 | Confident | 43 Ų | 43 | 63 Ų | 63 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 81.5 | 1.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E112 D113 | E112-G115 WeakPolarHBondContact O-CA 3.21Å; E112-G115 PolarHBondContact O-N 3.42Å; D113-G115 PolarHBondContact O-N 3.27Å |
| 116 | V | 89.1 | Confident | 89.1 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | trans | -74.2 | 129 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | Q111 E112 S114 T118 | Q111-V116 WeakPolarHBondContact CA-O 3.33Å; E112-V116 PolarHBondContact N-O 2.67Å; S114-V116 VanDerWaalsContact C-N 3.27Å; S114-V116 WeakPolarHBondContact OG-CG2 3.38Å; S114-V116 PolarHBondContact OG-N 3.02Å; V116-T118 HydrophobicContact CG1-CG2 4.49Å | ||
| 117 | V | 92 | Very high | 89.1 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 48% | 0.479 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 126 | 176.7 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | D109 Y110 Q111 | D109-V117 HydrophobicContact CB-CG1 4.12Å; Y110-V117 CarbonylContact O-C 3.58Å; Y110-V117 VanDerWaalsContact O-CA 3.3Å; Y110-V117 WeakPolarHBondContact O-CA 3.2Å; Q111-V117 HydrophobicContact CB-CG2 4.16Å; Q111-V117 HydrophobicContact CG-CG2 4.08Å |
| 118 | T | 90.4 | Very high | 88.9 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.5 | 174.2 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | Y110 V116 N139 | Y110-T118 PolarHBondContact N-O 2.98Å; Y110-T118 PolarHBondContact O-N 2.74Å; Y110-T118 PolarHBondContact O-OG1 3.28Å; V116-T118 HydrophobicContact CG1-CG2 4.49Å; T118-N139 WeakPolarHBondContact CG2-OD1 3.44Å; T118-N139 PolarHBondContact OG1-ND2 3.19Å; T118-N139 PolarHBondContact OG1-OD1 3.06Å |
| 119 | S | 92 | Very high | 88.9 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136 | -177.2 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | L108 D109 | L108-S119 CarbonylContact O-C 3.46Å; L108-S119 WeakPolarHBondContact O-CA 3.47Å; D109-S119 WeakPolarHBondContact OD1-CB 3.41Å; D109-S119 PolarHBondContact OD1-OG 3.44Å |
| 120 | F | 89.6 | Confident | 88.7 | Confident | 5 Ų | 5 | 67.3 Ų | 67.3 | 2% | 0.022 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.5 | 179.4 | -59.2 | -97.3 | 0 | 0 | 0 | 111.1 | W107 L108 R134 V135 K138 | W107-F120 WeakPolarHBondContact CA-O 3.47Å; L108-F120 HydrophobicContact CB-CB 4.34Å; L108-F120 PolarHBondContact N-O 2.72Å; L108-F120 PolarHBondContact O-N 3.03Å; F120-R134 HydrophobicContact CD1-CB 4.39Å; F120-R134 HydrophobicContact CE1-CB 4.28Å; F120-R134 WeakPolarHBondContact CE1-O 3.33Å; F120-V135 HydrophobicContact CD1-CG2 4.3Å; F120-V135 HydrophobicContact CD2-CG2 3.73Å; F120-V135 HydrophobicContact CE1-CG2 4.25Å; F120-V135 HydrophobicContact CE2-CB 4.16Å; F120-V135 HydrophobicContact CE2-CG1 4.08Å; F120-V135 HydrophobicContact CE2-CG2 3.69Å; F120-V135 HydrophobicContact CG-CG2 4.05Å; F120-V135 HydrophobicContact CZ-CB 4.17Å; F120-V135 HydrophobicContact CZ-CG1 4.4Å; F120-V135 HydrophobicContact CZ-CG2 3.96Å; F120-K138 HydrophobicContact CE1-CD 3.83Å; F120-K138 HydrophobicContact CE1-CG 4.44Å; F120-K138 HydrophobicContact CZ-CB 4.13Å; F120-K138 HydrophobicContact CZ-CD 3.8Å; F120-K138 HydrophobicContact CZ-CG 4.28Å |
| 121 | L | 91.2 | Very high | 88.7 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 122.5 | 171.2 | -175.9 | 61.6 | 0 | 0 | 0 | 110 | E104 W107 | E104-L121 HydrophobicContact CB-CD1 4.29Å; E104-L121 HydrophobicContact CG-CD1 4.21Å; E104-L121 HydrophobicContact CG-CD2 4.15Å; E104-L121 HydrophobicContact CG-CG 4.49Å; W107-L121 HydrophobicContact CD2-CB 4.43Å; W107-L121 HydrophobicContact CD2-CD1 4.2Å; W107-L121 HydrophobicContact CE3-CB 4.26Å; W107-L121 HydrophobicContact CG-CD1 4.48Å; W107-L121 HydrophobicContact CH2-CB 3.99Å; W107-L121 HydrophobicContact CZ2-CB 4.14Å; W107-L121 HydrophobicContact CZ2-CD1 4.1Å; W107-L121 HydrophobicContact CZ2-CD2 4.41Å; W107-L121 HydrophobicContact CZ2-CG 4.46Å; W107-L121 HydrophobicContact CZ3-CB 4.05Å |
| 122 | V | 90.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.5 | 179 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | L105 F106 L108 D126 V131 I157 | L105-V122 PolarHBondContact N-O 3.14Å; F106-V122 HydrophobicContact CD1-CB 4.12Å; F106-V122 HydrophobicContact CD1-CG1 4.27Å; F106-V122 HydrophobicContact CD2-CB 4.43Å; F106-V122 HydrophobicContact CD2-CG2 4.3Å; F106-V122 HydrophobicContact CE1-CB 3.98Å; F106-V122 HydrophobicContact CE1-CG1 3.77Å; F106-V122 HydrophobicContact CE1-CG2 4.39Å; F106-V122 HydrophobicContact CE2-CB 4.3Å; F106-V122 HydrophobicContact CE2-CG2 3.91Å; F106-V122 HydrophobicContact CG-CB 4.32Å; F106-V122 HydrophobicContact CZ-CB 4.07Å; F106-V122 HydrophobicContact CZ-CG1 4.02Å; F106-V122 HydrophobicContact CZ-CG2 3.95Å; F106-V122 PolarHBondContact N-O 2.72Å; F106-V122 PolarHBondContact O-N 3.42Å; L108-V122 HydrophobicContact CB-CG2 4.12Å; V122-D126 HydrophobicContact CG1-CB 4.47Å; V122-V131 HydrophobicContact CG1-CG2 4.3Å; V122-V131 HydrophobicContact CG2-CG1 3.9Å; V122-V131 HydrophobicContact CG2-CG2 4.46Å; V122-I157 HydrophobicContact CG1-CD1 4.15Å; V122-I157 HydrophobicContact CG1-CG1 4.32Å |
| 123 | H | 88.9 | Confident | 89 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 13% | 0.134 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 165 | 177.8 | -50.2 | 85.7 | 0 | 0 | 0 | 111.8 | R102 T103 E125 D126 | R102-H123 HydrophobicContact CB-CB 4.01Å; R102-H123 VanDerWaalsContact CB-CD2 3.47Å; R102-H123 WeakPolarHBondContact CB-CD2 3.24Å; T103-H123 CarbonylContact O-C 3.54Å; T103-H123 WeakPolarHBondContact O-CA 3.43Å; H123-E125 VanDerWaalsContact C-N 3.25Å; H123-E125 PolarHBondContact O-N 2.95Å; H123-D126 IonicContact CG-OD2 3.95Å; H123-D126 PolarHBondContact N-OD2 3.43Å; H123-D126 IonicContact ND1-OD2 3.65Å; H123-D126 PolarHBondContact ND1-OD2 3.28Å; H123-D126 WeakPolarHBondContact O-CB 3.32Å; H123-D126 PolarHBondContact O-N 2.91Å |
| 124 | K | 85.3 | Confident | 89.2 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -31.5 | -179.6 | -169.8 | 179.8 | 179.1 | -179.4 | 0 | 112.5 | T103 L105 D126 R161 | T103-K124 WeakPolarHBondContact O-CB 3.34Å; T103-K124 PolarHBondContact O-N 3.28Å; T103-K124 WeakPolarHBondContact OG1-CB 3.37Å; T103-K124 VanDerWaalsContact OG1-CD 3.32Å; T103-K124 WeakPolarHBondContact OG1-CD 3.4Å; L105-K124 VanDerWaalsContact CD1-CA 3.48Å; L105-K124 HydrophobicContact CD1-CB 4.15Å; L105-K124 HydrophobicContact CD1-CG 4.46Å; L105-K124 HydrophobicContact CD2-CB 4.2Å; L105-K124 HydrophobicContact CD2-CG 4.36Å; L105-K124 HydrophobicContact CG-CB 3.93Å; L105-K124 HydrophobicContact CG-CG 4.5Å; K124-D126 VanDerWaalsContact C-N 3.34Å; K124-R161 HydrophobicContact CG-CG 4.24Å; K124-R161 PolarHBondContact O-NH2 3.15Å |
| 125 | E | 84.8 | Confident | 89.5 | Confident | 96 Ų | 96 | 56 Ų | 56 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6 | -176.7 | -51.2 | 75.3 | -158 | 0 | 0 | 112.4 | R102 T103 H123 | R102-E125 VanDerWaalsContact CA-OE2 3.31Å; R102-E125 WeakPolarHBondContact CA-OE2 3.34Å; T103-E125 PolarHBondContact N-OE1 3.07Å; T103-E125 PolarHBondContact N-OE2 3.39Å; T103-E125 PolarHBondContact OG1-OE1 3.01Å; H123-E125 VanDerWaalsContact C-N 3.25Å; H123-E125 PolarHBondContact O-N 2.95Å |
| 126 | D | 86.9 | Confident | 89.7 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | trans | -71.1 | 137.4 | -178.2 | -74.7 | -27.9 | 0 | 0 | 0 | 111.6 | V122 H123 K124 V131 | V122-D126 HydrophobicContact CG1-CB 4.47Å; H123-D126 IonicContact CG-OD2 3.95Å; H123-D126 PolarHBondContact N-OD2 3.43Å; H123-D126 IonicContact ND1-OD2 3.65Å; H123-D126 PolarHBondContact ND1-OD2 3.28Å; H123-D126 WeakPolarHBondContact O-CB 3.32Å; H123-D126 PolarHBondContact O-N 2.91Å; K124-D126 VanDerWaalsContact C-N 3.34Å; D126-V131 HydrophobicContact CB-CG2 3.98Å | ||
| 127 | K | 89.9 | Confident | 89.7 | Confident | 129 Ų | 129 | 58.1 Ų | 58.1 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | trans | -82.1 | 136.8 | 172.3 | -66.3 | -173.5 | 179.3 | -174.5 | 0 | 109.6 | E129 K130 V131 | K127-E129 VanDerWaalsContact C-N 3.25Å; K127-E129 PolarHBondContact O-N 3.49Å; K127-K130 HydrophobicContact CB-CG 4.3Å; K127-K130 PolarHBondContact O-N 3.45Å; K127-K130 VanDerWaalsContact O-N 3.1Å; K127-V131 PolarHBondContact O-N 2.92Å | ||
| 128 | P | 88.4 | Confident | 89.5 | Confident | 23 Ų | 23 | 60.8 Ų | 60.8 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -37.7 | -178.2 | 23.9 | -33.7 | 0 | 0 | 0 | 112.3 | K130 V131 V132 E150 I153 R154 | P128-K130 PolarHBondContact O-N 2.88Å; P128-V131 PolarHBondContact O-N 2.93Å; P128-V132 WeakPolarHBondContact O-CG2 3.48Å; P128-V132 PolarHBondContact O-N 3Å; P128-E150 HydrophobicContact CB-CG 4.15Å; P128-I153 HydrophobicContact CB-CB 4.39Å; P128-I153 HydrophobicContact CB-CG2 3.96Å; P128-R154 HydrophobicContact CB-CB 4.4Å; P128-R154 HydrophobicContact CG-CB 4.41Å |
| 129 | E | 91.3 | Very high | 89.3 | Confident | 118 Ų | 118 | 60 Ų | 60 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.1 | -46.3 | 176.2 | -65.1 | 165.7 | -164 | 0 | 0 | 112.3 | K127 V131 V132 E133 | K127-E129 VanDerWaalsContact C-N 3.25Å; K127-E129 PolarHBondContact O-N 3.49Å; E129-V131 VanDerWaalsContact C-N 3.33Å; E129-V131 PolarHBondContact O-N 3.27Å; E129-V132 PolarHBondContact O-N 3.45Å; E129-E133 PolarHBondContact O-N 3.05Å |
| 130 | K | 90.5 | Very high | 89 | Confident | 125 Ų | 125 | 63.5 Ų | 63.5 | 54% | 0.543 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.5 | -32.9 | 179.8 | -68 | -170.4 | 173.1 | -168.9 | 0 | 112.4 | K127 P128 R134 | K127-K130 HydrophobicContact CB-CG 4.3Å; K127-K130 PolarHBondContact O-N 3.45Å; K127-K130 VanDerWaalsContact O-N 3.1Å; P128-K130 PolarHBondContact O-N 2.88Å; K130-R134 VanDerWaalsContact O-CG 3.31Å; K130-R134 WeakPolarHBondContact O-CG 3.44Å; K130-R134 PolarHBondContact O-N 3.3Å |
| 131 | V | 89.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | L108 V122 D126 K127 P128 E129 E133 R134 V135 I153 | L108-V131 HydrophobicContact CD2-CG1 4.04Å; V122-V131 HydrophobicContact CG1-CG2 4.3Å; V122-V131 HydrophobicContact CG2-CG1 3.9Å; V122-V131 HydrophobicContact CG2-CG2 4.46Å; D126-V131 HydrophobicContact CB-CG2 3.98Å; K127-V131 PolarHBondContact O-N 2.92Å; P128-V131 PolarHBondContact O-N 2.93Å; E129-V131 VanDerWaalsContact C-N 3.33Å; E129-V131 PolarHBondContact O-N 3.27Å; V131-E133 VanDerWaalsContact C-N 3.34Å; V131-E133 PolarHBondContact O-N 3.3Å; V131-R134 PolarHBondContact O-N 3.45Å; V131-V135 VanDerWaalsContact O-CG2 3.23Å; V131-V135 WeakPolarHBondContact O-CG2 3.32Å; V131-V135 PolarHBondContact O-N 2.9Å; V131-I153 HydrophobicContact CB-CD1 4.17Å; V131-I153 HydrophobicContact CG1-CD1 3.77Å |
| 132 | V | 91.9 | Very high | 88.8 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | P128 E129 R134 V135 S136 R146 L149 E150 I153 | P128-V132 WeakPolarHBondContact O-CG2 3.48Å; P128-V132 PolarHBondContact O-N 3Å; E129-V132 PolarHBondContact O-N 3.45Å; V132-R134 PolarHBondContact O-N 2.85Å; V132-V135 PolarHBondContact O-N 3.46Å; V132-S136 WeakPolarHBondContact O-CB 3.37Å; V132-S136 PolarHBondContact O-N 3.47Å; V132-S136 PolarHBondContact O-OG 2.93Å; V132-R146 HydrophobicContact CG1-CB 3.82Å; V132-R146 HydrophobicContact CG1-CG 4.1Å; V132-L149 HydrophobicContact CG1-CD2 4.43Å; V132-L149 HydrophobicContact CG2-CB 4.26Å; V132-L149 HydrophobicContact CG2-CD2 4.14Å; V132-L149 HydrophobicContact CG2-CG 4.05Å; V132-E150 HydrophobicContact CG2-CB 3.89Å; V132-E150 HydrophobicContact CG2-CG 4.4Å; V132-I153 HydrophobicContact CG2-CD1 3.81Å |
| 133 | E | 91.6 | Very high | 88.9 | Confident | 112 Ų | 112 | 70.5 Ų | 70.5 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.1 | -51.8 | 175.6 | -172.5 | 175 | -160.2 | 0 | 0 | 111 | E129 V131 V135 S136 E137 | E129-E133 PolarHBondContact O-N 3.05Å; V131-E133 VanDerWaalsContact C-N 3.34Å; V131-E133 PolarHBondContact O-N 3.3Å; E133-V135 VanDerWaalsContact C-N 3.27Å; E133-V135 PolarHBondContact O-N 3.21Å; E133-S136 WeakPolarHBondContact CA-OG 3.43Å; E133-S136 PolarHBondContact O-N 2.92Å; E133-S136 PolarHBondContact O-OG 3.16Å; E133-E137 WeakPolarHBondContact O-CG 3.42Å; E133-E137 PolarHBondContact O-N 3.43Å |
| 134 | R | 90.9 | Very high | 89 | Confident | 105 Ų | 105 | 72.3 Ų | 72.3 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.3 | -36.2 | 176.2 | -69.2 | 173.1 | 70.9 | -158.9 | 1.4 | 113.3 | F120 K130 V131 V132 | F120-R134 HydrophobicContact CD1-CB 4.39Å; F120-R134 HydrophobicContact CE1-CB 4.28Å; F120-R134 WeakPolarHBondContact CE1-O 3.33Å; K130-R134 VanDerWaalsContact O-CG 3.31Å; K130-R134 WeakPolarHBondContact O-CG 3.44Å; K130-R134 PolarHBondContact O-N 3.3Å; V131-R134 PolarHBondContact O-N 3.45Å; V132-R134 PolarHBondContact O-N 2.85Å |
| 135 | V | 89.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.7 | -40.5 | 176.2 | -179 | 0 | 0 | 0 | 0 | 110.2 | L108 Y110 F120 V131 V132 E133 E137 K138 N139 L141 L149 | L108-V135 HydrophobicContact CD2-CG2 3.83Å; Y110-V135 HydrophobicContact CG-CG1 4.28Å; F120-V135 HydrophobicContact CD1-CG2 4.3Å; F120-V135 HydrophobicContact CD2-CG2 3.73Å; F120-V135 HydrophobicContact CE1-CG2 4.25Å; F120-V135 HydrophobicContact CE2-CB 4.16Å; F120-V135 HydrophobicContact CE2-CG1 4.08Å; F120-V135 HydrophobicContact CE2-CG2 3.69Å; F120-V135 HydrophobicContact CG-CG2 4.05Å; F120-V135 HydrophobicContact CZ-CB 4.17Å; F120-V135 HydrophobicContact CZ-CG1 4.4Å; F120-V135 HydrophobicContact CZ-CG2 3.96Å; V131-V135 VanDerWaalsContact O-CG2 3.23Å; V131-V135 WeakPolarHBondContact O-CG2 3.32Å; V131-V135 PolarHBondContact O-N 2.9Å; V132-V135 PolarHBondContact O-N 3.46Å; E133-V135 VanDerWaalsContact C-N 3.27Å; E133-V135 PolarHBondContact O-N 3.21Å; V135-E137 VanDerWaalsContact C-N 3.33Å; V135-E137 PolarHBondContact O-N 3.46Å; V135-K138 PolarHBondContact O-N 3.41Å; V135-N139 WeakPolarHBondContact O-CB 3.46Å; V135-N139 PolarHBondContact O-N 3Å; V135-N139 PolarHBondContact O-ND2 2.98Å; V135-L141 HydrophobicContact CB-CD1 4.38Å; V135-L141 HydrophobicContact CG1-CD1 3.84Å; V135-L149 HydrophobicContact CB-CD2 4.11Å; V135-L149 HydrophobicContact CG1-CD2 3.92Å; V135-L149 HydrophobicContact CG2-CD2 4.33Å |
| 136 | S | 89.4 | Confident | 89.6 | Confident | 20 Ų | 20 | 73.4 Ų | 73.4 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.1 | -22.5 | -179.3 | 74.2 | 0 | 0 | 0 | 0 | 114.6 | V132 E133 K138 N139 | V132-S136 WeakPolarHBondContact O-CB 3.37Å; V132-S136 PolarHBondContact O-N 3.47Å; V132-S136 PolarHBondContact O-OG 2.93Å; E133-S136 WeakPolarHBondContact CA-OG 3.43Å; E133-S136 PolarHBondContact O-N 2.92Å; E133-S136 PolarHBondContact O-OG 3.16Å; S136-K138 VanDerWaalsContact C-N 3.32Å; S136-N139 CarbonylContact C-O 3.53Å |
| 137 | E | 89.9 | Confident | 89.9 | Confident | 146 Ų | 146 | 74.5 Ų | 74.5 | 68% | 0.682 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -69.1 | -33.5 | 171.7 | -73.2 | 174.8 | 171.7 | 0 | 0 | 112 | E133 V135 | E133-E137 WeakPolarHBondContact O-CG 3.42Å; E133-E137 PolarHBondContact O-N 3.43Å; V135-E137 VanDerWaalsContact C-N 3.33Å; V135-E137 PolarHBondContact O-N 3.46Å |
| 138 | K | 87.3 | Confident | 90 | Very high | 135 Ų | 135 | 71.3 Ų | 71.3 | 59% | 0.587 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -98.1 | -14.2 | -176.7 | -61.5 | -168.4 | -176.1 | 179.2 | 0 | 113.8 | F120 V135 S136 | F120-K138 HydrophobicContact CE1-CD 3.83Å; F120-K138 HydrophobicContact CE1-CG 4.44Å; F120-K138 HydrophobicContact CZ-CB 4.13Å; F120-K138 HydrophobicContact CZ-CD 3.8Å; F120-K138 HydrophobicContact CZ-CG 4.28Å; V135-K138 PolarHBondContact O-N 3.41Å; S136-K138 VanDerWaalsContact C-N 3.32Å |
| 139 | N | 87.2 | Confident | 90.2 | Very high | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.043 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -134.2 | 148.9 | -175.1 | -56 | -86.5 | 0 | 0 | 0 | 112.3 | Y110 E112 T118 V135 S136 L141 | Y110-N139 HydrophobicContact CD1-CB 3.95Å; Y110-N139 VanDerWaalsContact CD1-CG 3.42Å; Y110-N139 VanDerWaalsContact CD1-OD1 3.29Å; Y110-N139 WeakPolarHBondContact CD1-OD1 3.41Å; Y110-N139 HydrophobicContact CE1-CB 3.67Å; E112-N139 HydrophobicContact CG-CB 4.28Å; E112-N139 WeakPolarHBondContact OE1-CA 3.42Å; E112-N139 VanDerWaalsContact OE1-CB 3.24Å; E112-N139 WeakPolarHBondContact OE1-CB 3.17Å; E112-N139 PolarHBondContact OE1-OD1 3.41Å; T118-N139 WeakPolarHBondContact CG2-OD1 3.44Å; T118-N139 PolarHBondContact OG1-ND2 3.19Å; T118-N139 PolarHBondContact OG1-OD1 3.06Å; V135-N139 WeakPolarHBondContact O-CB 3.46Å; V135-N139 PolarHBondContact O-N 3Å; V135-N139 PolarHBondContact O-ND2 2.98Å; S136-N139 CarbonylContact C-O 3.53Å; N139-L141 HydrophobicContact CB-CG 4.29Å; N139-L141 PolarHBondContact O-N 3.49Å |
| 140 | V | 85.5 | Confident | 90.3 | Very high | 134 Ų | 134 | 68.2 Ų | 68.2 | 81% | 0.812 | 37% | 0.366 | S | S | * | . | trans | -79.1 | 91.9 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | E112 | E112-V140 PolarHBondContact OE1-N 2.9Å; E112-V140 VanDerWaalsContact OE1-N 3.09Å | ||
| 141 | L | 85.8 | Confident | 90.5 | Very high | 10 Ų | 10 | 65.5 Ų | 65.5 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | trans | -109.6 | 124.5 | 179.4 | -63.4 | -178.2 | 0 | 0 | 0 | 112.5 | Y110 V135 N139 M145 R146 L149 | Y110-L141 HydrophobicContact CE1-CD2 3.99Å; Y110-L141 HydrophobicContact CE2-CD2 3.8Å; Y110-L141 WeakPolarHBondContact OH-CD2 3.16Å; V135-L141 HydrophobicContact CB-CD1 4.38Å; V135-L141 HydrophobicContact CG1-CD1 3.84Å; N139-L141 HydrophobicContact CB-CG 4.29Å; N139-L141 PolarHBondContact O-N 3.49Å; L141-M145 HydrophobicContact CD2-CB 4.38Å; L141-M145 HydrophobicContact CD2-CE 3.91Å; L141-R146 HydrophobicContact CB-CG 3.78Å; L141-R146 HydrophobicContact CD1-CG 4.27Å; L141-R146 PolarHBondContact O-NE 2.84Å; L141-R146 PolarHBondContact O-NH2 3.47Å; L141-L149 HydrophobicContact CD1-CD2 4.08Å | ||
| 142 | D | 90.5 | Very high | 90.7 | Very high | 105 Ų | 105 | 74.5 Ų | 74.5 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | trans | -68.7 | 158.1 | 168.6 | -177.1 | 40 | 0 | 0 | 0 | 112.1 | A144 M145 R146 | D142-A144 VanDerWaalsContact C-N 3.26Å; D142-A144 PolarHBondContact O-N 3.31Å; D142-M145 WeakPolarHBondContact O-CB 3.39Å; D142-M145 PolarHBondContact O-N 2.9Å; D142-R146 WeakPolarHBondContact O-CG 3.29Å; D142-R146 PolarHBondContact O-N 3.32Å | ||
| 143 | A | 90.8 | Very high | 90.7 | Very high | 72 Ų | 72 | 74.1 Ų | 74.1 | 60% | 0.595 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.2 | -39.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R146 A147 | A143-R146 PolarHBondContact O-N 3.33Å; A143-A147 PolarHBondContact O-N 3.47Å; A143-A147 VanDerWaalsContact O-N 3.16Å |
| 144 | A | 91.5 | Very high | 90.8 | Very high | 67 Ų | 67 | 73.9 Ų | 73.9 | 55% | 0.554 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D142 A147 A148 | D142-A144 VanDerWaalsContact C-N 3.26Å; D142-A144 PolarHBondContact O-N 3.31Å; A144-A147 PolarHBondContact O-N 2.91Å; A144-A148 WeakPolarHBondContact O-CB 3.49Å; A144-A148 PolarHBondContact O-N 3.33Å |
| 145 | M | 89.9 | Confident | 90.8 | Very high | 85 Ų | 85 | 75.9 Ų | 75.9 | 42% | 0.419 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 178.2 | -68.4 | -180 | 70.2 | 0 | 0 | 111.9 | Y110 L141 D142 A148 L149 | Y110-M145 HydrophobicContact CE2-CE 4.35Å; Y110-M145 VanDerWaalsContact OH-CE 3.26Å; Y110-M145 WeakPolarHBondContact OH-CE 3.31Å; L141-M145 HydrophobicContact CD2-CB 4.38Å; L141-M145 HydrophobicContact CD2-CE 3.91Å; D142-M145 WeakPolarHBondContact O-CB 3.39Å; D142-M145 PolarHBondContact O-N 2.9Å; M145-A148 PolarHBondContact O-N 3.2Å; M145-L149 VanDerWaalsContact O-CB 3.25Å; M145-L149 WeakPolarHBondContact O-CB 3.34Å; M145-L149 PolarHBondContact O-N 3.26Å |
| 146 | R | 92.2 | Very high | 90.9 | Very high | 107 Ų | 107 | 78.2 Ų | 78.2 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.8 | -67.5 | 178.2 | -164.9 | -160.4 | -2.6 | 111.3 | V132 L141 D142 A143 A148 L149 E150 | V132-R146 HydrophobicContact CG1-CB 3.82Å; V132-R146 HydrophobicContact CG1-CG 4.1Å; L141-R146 HydrophobicContact CB-CG 3.78Å; L141-R146 HydrophobicContact CD1-CG 4.27Å; L141-R146 PolarHBondContact O-NE 2.84Å; L141-R146 PolarHBondContact O-NH2 3.47Å; D142-R146 WeakPolarHBondContact O-CG 3.29Å; D142-R146 PolarHBondContact O-N 3.32Å; A143-R146 PolarHBondContact O-N 3.33Å; R146-A148 PolarHBondContact O-N 2.88Å; R146-L149 PolarHBondContact O-N 2.93Å; R146-E150 WeakPolarHBondContact O-CB 3.32Å; R146-E150 PolarHBondContact O-N 3.38Å |
| 147 | A | 93.3 | Very high | 90.9 | Very high | 53 Ų | 53 | 77.5 Ų | 77.5 | 44% | 0.438 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A143 A144 E150 V151 | A143-A147 PolarHBondContact O-N 3.47Å; A143-A147 VanDerWaalsContact O-N 3.16Å; A144-A147 PolarHBondContact O-N 2.91Å; A147-E150 PolarHBondContact O-N 3.26Å; A147-V151 WeakPolarHBondContact O-CG2 3.45Å; A147-V151 PolarHBondContact O-N 2.96Å; A147-V151 VanDerWaalsContact O-N 3.13Å |
| 148 | A | 93.4 | Very high | 90.8 | Very high | 62 Ų | 62 | 73.9 Ų | 73.9 | 51% | 0.512 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A144 M145 R146 V151 R152 | A144-A148 WeakPolarHBondContact O-CB 3.49Å; A144-A148 PolarHBondContact O-N 3.33Å; M145-A148 PolarHBondContact O-N 3.2Å; R146-A148 PolarHBondContact O-N 2.88Å; A148-V151 PolarHBondContact O-N 3Å; A148-R152 WeakPolarHBondContact O-CB 3.44Å; A148-R152 PolarHBondContact O-N 2.84Å |
| 149 | L | 92.3 | Very high | 90.9 | Very high | 25 Ų | 25 | 73.5 Ų | 73.5 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 177.3 | -174.5 | 64.9 | 0 | 0 | 0 | 111.1 | V132 V135 L141 M145 R146 V151 R152 I153 | V132-L149 HydrophobicContact CG1-CD2 4.43Å; V132-L149 HydrophobicContact CG2-CB 4.26Å; V132-L149 HydrophobicContact CG2-CD2 4.14Å; V132-L149 HydrophobicContact CG2-CG 4.05Å; V135-L149 HydrophobicContact CB-CD2 4.11Å; V135-L149 HydrophobicContact CG1-CD2 3.92Å; V135-L149 HydrophobicContact CG2-CD2 4.33Å; L141-L149 HydrophobicContact CD1-CD2 4.08Å; M145-L149 VanDerWaalsContact O-CB 3.25Å; M145-L149 WeakPolarHBondContact O-CB 3.34Å; M145-L149 PolarHBondContact O-N 3.26Å; R146-L149 PolarHBondContact O-N 2.93Å; L149-V151 PolarHBondContact O-N 2.8Å; L149-R152 PolarHBondContact O-N 3.39Å; L149-I153 HydrophobicContact CD1-CD1 4.09Å; L149-I153 HydrophobicContact CD1-CG1 4.29Å; L149-I153 HydrophobicContact CD2-CD1 4.29Å; L149-I153 HydrophobicContact CG-CD1 3.72Å; L149-I153 HydrophobicContact CG-CG1 4.33Å; L149-I153 WeakPolarHBondContact O-CB 3.28Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.37Å; L149-I153 PolarHBondContact O-N 3.46Å |
| 150 | E | 93.4 | Very high | 90.8 | Very high | 50 Ų | 50 | 78.2 Ų | 78.2 | 23% | 0.234 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 176.6 | -166 | -164.4 | 141.2 | 0 | 0 | 111.8 | P128 V132 R146 A147 R152 I153 R154 | P128-E150 HydrophobicContact CB-CG 4.15Å; V132-E150 HydrophobicContact CG2-CB 3.89Å; V132-E150 HydrophobicContact CG2-CG 4.4Å; R146-E150 WeakPolarHBondContact O-CB 3.32Å; R146-E150 PolarHBondContact O-N 3.38Å; A147-E150 PolarHBondContact O-N 3.26Å; E150-R152 VanDerWaalsContact C-N 3.27Å; E150-R152 PolarHBondContact O-N 2.98Å; E150-I153 PolarHBondContact O-N 3.5Å; E150-R154 WeakPolarHBondContact O-CB 3.29Å; E150-R154 PolarHBondContact O-N 3.43Å; E150-R154 IonicContact OE1-CZ 3.73Å; E150-R154 IonicContact OE1-NH2 2.68Å; E150-R154 PolarHBondContact OE1-NH2 3.49Å |
| 151 | V | 94.8 | Very high | 90.5 | Very high | 69 Ų | 69 | 76.5 Ų | 76.5 | 42% | 0.418 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | A147 A148 L149 K155 | A147-V151 WeakPolarHBondContact O-CG2 3.45Å; A147-V151 PolarHBondContact O-N 2.96Å; A147-V151 VanDerWaalsContact O-N 3.13Å; A148-V151 PolarHBondContact O-N 3Å; L149-V151 PolarHBondContact O-N 2.8Å; V151-K155 HydrophobicContact CG1-CD 4.4Å; V151-K155 WeakPolarHBondContact O-CG 3.39Å; V151-K155 PolarHBondContact O-N 3.47Å; V151-K155 VanDerWaalsContact O-N 3.11Å |
| 152 | R | 93.7 | Very high | 89.7 | Confident | 189 Ų | 189 | 82.5 Ų | 82.5 | 71% | 0.713 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.5 | -44.7 | -179.7 | -170.6 | 164.9 | -175.5 | 163.2 | -1.8 | 112.2 | A148 L149 E150 R154 K155 E156 | A148-R152 WeakPolarHBondContact O-CB 3.44Å; A148-R152 PolarHBondContact O-N 2.84Å; L149-R152 PolarHBondContact O-N 3.39Å; E150-R152 VanDerWaalsContact C-N 3.27Å; E150-R152 PolarHBondContact O-N 2.98Å; R152-R154 VanDerWaalsContact C-N 3.34Å; R152-K155 PolarHBondContact O-N 3.21Å; R152-E156 WeakPolarHBondContact O-CB 3.29Å; R152-E156 PolarHBondContact O-N 2.91Å |
| 153 | I | 92.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 84 Ų | 84 | 2% | 0.015 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.5 | -69.5 | 167.7 | 0 | 0 | 0 | 110 | F106 L108 P128 V131 V132 L149 E150 K155 E156 I157 | F106-I153 HydrophobicContact CZ-CG2 4.42Å; L108-I153 HydrophobicContact CD2-CD1 3.77Å; L108-I153 HydrophobicContact CD2-CG1 4.22Å; P128-I153 HydrophobicContact CB-CB 4.39Å; P128-I153 HydrophobicContact CB-CG2 3.96Å; V131-I153 HydrophobicContact CB-CD1 4.17Å; V131-I153 HydrophobicContact CG1-CD1 3.77Å; V132-I153 HydrophobicContact CG2-CD1 3.81Å; L149-I153 HydrophobicContact CD1-CD1 4.09Å; L149-I153 HydrophobicContact CD1-CG1 4.29Å; L149-I153 HydrophobicContact CD2-CD1 4.29Å; L149-I153 HydrophobicContact CG-CD1 3.72Å; L149-I153 HydrophobicContact CG-CG1 4.33Å; L149-I153 WeakPolarHBondContact O-CB 3.28Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.37Å; L149-I153 PolarHBondContact O-N 3.46Å; E150-I153 PolarHBondContact O-N 3.5Å; I153-K155 PolarHBondContact O-N 3.49Å; I153-E156 PolarHBondContact O-N 3.16Å; I153-I157 HydrophobicContact CG2-CD1 3.64Å; I153-I157 HydrophobicContact CG2-CG1 4.19Å; I153-I157 WeakPolarHBondContact O-CB 3.45Å; I153-I157 VanDerWaalsContact O-CG1 3.29Å; I153-I157 WeakPolarHBondContact O-CG1 3.42Å; I153-I157 PolarHBondContact O-N 3.43Å |
| 154 | R | 92.3 | Very high | 86.7 | Confident | 107 Ų | 107 | 92.9 Ų | 92.9 | 40% | 0.404 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56 | -52 | 176.2 | -175.1 | 178.8 | -64.1 | 150.3 | 6.6 | 111.5 | P128 E150 R152 E156 I157 D158 | P128-R154 HydrophobicContact CB-CB 4.4Å; P128-R154 HydrophobicContact CG-CB 4.41Å; E150-R154 WeakPolarHBondContact O-CB 3.29Å; E150-R154 PolarHBondContact O-N 3.43Å; E150-R154 IonicContact OE1-CZ 3.73Å; E150-R154 IonicContact OE1-NH2 2.68Å; E150-R154 PolarHBondContact OE1-NH2 3.49Å; R152-R154 VanDerWaalsContact C-N 3.34Å; R154-E156 VanDerWaalsContact C-N 3.31Å; R154-E156 PolarHBondContact O-N 3.21Å; R154-I157 PolarHBondContact O-N 2.96Å; R154-D158 VanDerWaalsContact O-CG 3.26Å; R154-D158 PolarHBondContact O-N 3.44Å |
| 155 | K | 92.3 | Very high | 86.5 | Confident | 146 Ų | 146 | 94.2 Ų | 94.2 | 64% | 0.635 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.6 | -40.9 | 177.2 | -74.5 | 178.9 | 179.7 | -178.1 | 0 | 112.8 | V151 R152 I153 K159 | V151-K155 HydrophobicContact CG1-CD 4.4Å; V151-K155 WeakPolarHBondContact O-CG 3.39Å; V151-K155 PolarHBondContact O-N 3.47Å; V151-K155 VanDerWaalsContact O-N 3.11Å; R152-K155 PolarHBondContact O-N 3.21Å; I153-K155 PolarHBondContact O-N 3.49Å; K155-K159 VanDerWaalsContact O-CB 3.23Å; K155-K159 WeakPolarHBondContact O-CB 3.34Å; K155-K159 PolarHBondContact O-N 3.31Å |
| 156 | E | 91.4 | Very high | 86.3 | Confident | 50 Ų | 50 | 94.6 Ų | 94.6 | 23% | 0.234 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -71 | -38.2 | -179.1 | -166.3 | 63 | -155.3 | 0 | 0 | 111.9 | F106 R152 I153 R154 R160 | F106-E156 HydrophobicContact CD1-CG 4.36Å; F106-E156 HydrophobicContact CE1-CB 4.3Å; F106-E156 HydrophobicContact CE1-CG 4.02Å; F106-E156 HydrophobicContact CE2-CG 4.31Å; F106-E156 HydrophobicContact CZ-CB 4.15Å; F106-E156 HydrophobicContact CZ-CG 4.01Å; R152-E156 WeakPolarHBondContact O-CB 3.29Å; R152-E156 PolarHBondContact O-N 2.91Å; I153-E156 PolarHBondContact O-N 3.16Å; R154-E156 VanDerWaalsContact C-N 3.31Å; R154-E156 PolarHBondContact O-N 3.21Å; E156-R160 WeakPolarHBondContact O-CG 3.48Å; E156-R160 PolarHBondContact O-N 3.14Å; E156-R160 IonicContact OE1-CZ 2.79Å; E156-R160 VanDerWaalsContact OE1-CZ 3.24Å; E156-R160 IonicContact OE1-NE 3Å; E156-R160 PolarHBondContact OE1-NE 2.9Å; E156-R160 IonicContact OE1-NH2 2.82Å; E156-R160 PolarHBondContact OE1-NH2 2.79Å |
| 157 | I | 88.8 | Confident | 86 | Confident | 4 Ų | 4 | 93.9 Ų | 93.9 | 2% | 0.021 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.9 | -51.6 | 173.1 | -71.1 | 173.5 | 0 | 0 | 0 | 110.1 | L105 F106 V122 I153 R154 K159 R160 R161 | L105-I157 HydrophobicContact CD1-CB 4.33Å; L105-I157 HydrophobicContact CD1-CG1 4.08Å; L105-I157 HydrophobicContact CD1-CG2 3.94Å; F106-I157 HydrophobicContact CE1-CG1 3.8Å; F106-I157 HydrophobicContact CZ-CG1 4.42Å; V122-I157 HydrophobicContact CG1-CD1 4.15Å; V122-I157 HydrophobicContact CG1-CG1 4.32Å; I153-I157 HydrophobicContact CG2-CD1 3.64Å; I153-I157 HydrophobicContact CG2-CG1 4.19Å; I153-I157 WeakPolarHBondContact O-CB 3.45Å; I153-I157 VanDerWaalsContact O-CG1 3.29Å; I153-I157 WeakPolarHBondContact O-CG1 3.42Å; I153-I157 PolarHBondContact O-N 3.43Å; R154-I157 PolarHBondContact O-N 2.96Å; I157-K159 PolarHBondContact O-N 3.38Å; I157-R160 PolarHBondContact O-N 3.1Å; I157-R161 HydrophobicContact CG2-CG 4.22Å; I157-R161 VanDerWaalsContact CG2-NE 3.31Å; I157-R161 VanDerWaalsContact O-CG 3.29Å; I157-R161 WeakPolarHBondContact O-CG 3.38Å; I157-R161 PolarHBondContact O-N 2.73Å |
| 158 | D | 89 | Confident | 85.5 | Confident | 71 Ų | 71 | 96.4 Ų | 96.4 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | -177.7 | -65 | -26.2 | 0 | 0 | 0 | 111 | R154 R160 R161 D162 | R154-D158 VanDerWaalsContact O-CG 3.26Å; R154-D158 PolarHBondContact O-N 3.44Å; D158-R160 VanDerWaalsContact C-N 3.27Å; D158-R160 PolarHBondContact O-N 3.26Å; D158-R161 PolarHBondContact O-N 3.43Å; D158-R161 VanDerWaalsContact O-N 3.11Å; D158-D162 PolarHBondContact O-N 3.17Å; D158-D162 VanDerWaalsContact O-N 3.14Å |
| 159 | K | 89.2 | Confident | 85.1 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 55% | 0.548 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.5 | -37.6 | 175.9 | -178.3 | -177.8 | 176.2 | -170.7 | 0 | 113.4 | K155 I157 N163 | K155-K159 VanDerWaalsContact O-CB 3.23Å; K155-K159 WeakPolarHBondContact O-CB 3.34Å; K155-K159 PolarHBondContact O-N 3.31Å; I157-K159 PolarHBondContact O-N 3.38Å; K159-N163 PolarHBondContact O-ND2 3.22Å |
| 160 | R | 84.4 | Confident | 84.6 | Confident | 108 Ų | 108 | 103.4 Ų | 103.4 | 41% | 0.408 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -85.7 | -21.9 | -179.8 | -67.6 | -175.8 | -168.3 | -147.7 | 7.2 | 112.8 | L105 F106 E156 I157 D158 | L105-R160 HydrophobicContact CD2-CB 4.19Å; L105-R160 PolarHBondContact O-NH1 2.69Å; F106-R160 VanDerWaalsContact CB-CZ 3.44Å; E156-R160 WeakPolarHBondContact O-CG 3.48Å; E156-R160 PolarHBondContact O-N 3.14Å; E156-R160 IonicContact OE1-CZ 2.79Å; E156-R160 VanDerWaalsContact OE1-CZ 3.24Å; E156-R160 IonicContact OE1-NE 3Å; E156-R160 PolarHBondContact OE1-NE 2.9Å; E156-R160 IonicContact OE1-NH2 2.82Å; E156-R160 PolarHBondContact OE1-NH2 2.79Å; I157-R160 PolarHBondContact O-N 3.1Å; D158-R160 VanDerWaalsContact C-N 3.27Å; D158-R160 PolarHBondContact O-N 3.26Å |
| 161 | R | 79.4 | Confident | 83.9 | Confident | 98 Ų | 98 | 107.2 Ų | 107.2 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.6 | -35.7 | 172.7 | -76.9 | 176.9 | 174.4 | -177.3 | 4.1 | 112.2 | K124 I157 D158 | K124-R161 HydrophobicContact CG-CG 4.24Å; K124-R161 PolarHBondContact O-NH2 3.15Å; I157-R161 HydrophobicContact CG2-CG 4.22Å; I157-R161 VanDerWaalsContact CG2-NE 3.31Å; I157-R161 VanDerWaalsContact O-CG 3.29Å; I157-R161 WeakPolarHBondContact O-CG 3.38Å; I157-R161 PolarHBondContact O-N 2.73Å; D158-R161 PolarHBondContact O-N 3.43Å; D158-R161 VanDerWaalsContact O-N 3.11Å |
| 162 | D | 69.1 | Low | 83.1 | Confident | 135 Ų | 135 | 110.2 Ų | 110.2 | 72% | 0.722 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -14.4 | -175.5 | -66.6 | -16.4 | 0 | 0 | 0 | 114.4 | D158 R164 | D158-D162 PolarHBondContact O-N 3.17Å; D158-D162 VanDerWaalsContact O-N 3.14Å; D162-R164 VanDerWaalsContact C-N 3.33Å; D162-R164 PolarHBondContact O-N 3.29Å |
| 163 | N | 63.4 | Low | 82.2 | Confident | 136 Ų | 136 | 103.6 Ų | 103.6 | 73% | 0.727 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 25 | -178 | -83.1 | -56.5 | 0 | 0 | 0 | 114.1 | K159 | K159-N163 PolarHBondContact O-ND2 3.22Š|
| 164 | R | 55.2 | Low | 81.3 | Confident | 259 Ų | 259 | 112.7 Ų | 112.7 | 98% | 0.977 | 49% | 0.493 | S | S | * | . | trans | -124.4 | 0 | 178.1 | -171.5 | 178.4 | -175.3 | -168.4 | -0.5 | 111.2 | D162 | D162-R164 VanDerWaalsContact C-N 3.33Å; D162-R164 PolarHBondContact O-N 3.29Å |
Retrieved 164 of 164 residues in 525.3 ms
(Link to these results)