| 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 | 40.1 | Very low | 47.4 | Very low | 254 Ų | 254 | 149.1 Ų | 149.1 | 100% | 1.251 | 83% | 0.834 | S | S | * | * | 0 | 126.5 | 0 | -63.2 | -177.5 | -173.5 | 0 | 0 | 106.6 | |||||
| 2 | A | 37.9 | Very low | 47.6 | Very low | 104 Ų | 104 | 149 Ų | 149 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | cis | -142.8 | 161.9 | 11.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | A | 41.6 | Very low | 47.9 | Very low | 92 Ų | 92 | 148.5 Ų | 148.5 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -64.7 | 138.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K5 | A3-K5 PolarHBondContact O-N 2.99Š| ||
| 4 | R | 52.8 | Low | 48.8 | Very low | 251 Ų | 251 | 141.6 Ų | 141.6 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | -63.9 | 105.7 | 162 | -61.1 | 175.7 | 167.6 | -171.3 | -6.3 | 108 | S6 | R4-S6 PolarHBondContact O-N 3.4Š| ||
| 5 | K | 49.4 | Very low | 49.7 | Very low | 203 Ų | 203 | 140.9 Ų | 140.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -87.5 | 101.4 | 165.4 | -92.9 | 172.7 | 172.5 | -178.3 | 0 | 107.6 | A3 G7 | A3-K5 PolarHBondContact O-N 2.99Å; K5-G7 VanDerWaalsContact C-N 3.34Å; K5-G7 PolarHBondContact O-N 2.97Å | ||
| 6 | S | 51.7 | Low | 50.3 | Low | 125 Ų | 125 | 140.6 Ų | 140.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -63.5 | 93.7 | 167 | -165.5 | 0 | 0 | 0 | 0 | 108.1 | R4 | R4-S6 PolarHBondContact O-N 3.4Š| ||
| 7 | G | 44 | Very low | 51.4 | Low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -88.9 | 104.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | K5 D9 | K5-G7 VanDerWaalsContact C-N 3.34Å; K5-G7 PolarHBondContact O-N 2.97Å; G7-D9 PolarHBondContact O-N 3.19Å | ||
| 8 | S | 51.8 | Low | 52.3 | Low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 106 | 174 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 9 | D | 47.1 | Very low | 53.7 | Low | 141 Ų | 141 | 138.9 Ų | 138.9 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -129.6 | 80.3 | 156.9 | -159.1 | -1.5 | 0 | 0 | 0 | 106.8 | G7 | G7-D9 PolarHBondContact O-N 3.19Š| ||
| 10 | V | 53.6 | Low | 54.8 | Low | 102 Ų | 102 | 137.5 Ų | 137.5 | 62% | 0.618 | 76% | 0.762 | S | S | * | * | trans | -101 | 22.4 | -168.5 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 11 | Y | 51.6 | Low | 55.9 | Low | 189 Ų | 189 | 138.2 Ų | 138.2 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -135.8 | 60.8 | 179.4 | -63.3 | -77 | 0 | 0 | 0 | 113 | ||||
| 12 | N | 49.8 | Very low | 58 | Low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -106.6 | 79.7 | 146.9 | -101.5 | -74.9 | 0 | 0 | 0 | 107.4 | G14 | N12-G14 PolarHBondContact O-N 3.08Š| ||
| 13 | N | 51.9 | Low | 60.1 | Low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | trans | -93.1 | 82.2 | 174.7 | -71.7 | -45.4 | 0 | 0 | 0 | 109.2 | ||||
| 14 | G | 60.5 | Low | 62 | Low | 51 Ų | 51 | 133.7 Ų | 133.7 | 53% | 0.526 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -129.9 | 149.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | N12 I16 | N12-G14 PolarHBondContact O-N 3.08Å; G14-I16 PolarHBondContact O-N 3.04Å |
| 15 | P | 62.3 | Low | 63.6 | Low | 131 Ų | 131 | 131.4 Ų | 131.4 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -69.1 | 106.3 | -176.5 | -2 | 17.4 | 0 | 0 | 0 | 108.9 | ||
| 16 | I | 58.8 | Low | 65.4 | Low | 137 Ų | 137 | 126.7 Ų | 126.7 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | trans | 61.2 | 89.5 | 169.9 | -39 | 164.1 | 0 | 0 | 0 | 112.2 | G14 Y18 | G14-I16 PolarHBondContact O-N 3.04Å; I16-Y18 PolarHBondContact O-N 2.89Å; I16-Y18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | S | 69.2 | Low | 67.1 | Low | 52 Ų | 52 | 125.4 Ų | 125.4 | 36% | 0.364 | 68% | 0.684 | S | S | . | * | trans | -65 | 117.5 | 165 | 139.5 | 0 | 0 | 0 | 0 | 106.8 | L19 D20 | S17-L19 PolarHBondContact O-N 2.97Å; S17-L19 PolarHBondContact OG-N 3.17Å; S17-D20 VanDerWaalsContact CB-CG 3.41Å; S17-D20 WeakPolarHBondContact CB-OD1 3.49Å; S17-D20 WeakPolarHBondContact CB-OD2 3.38Å; S17-D20 PolarHBondContact N-OD2 3.33Å; S17-D20 WeakPolarHBondContact O-CB 3.19Å; S17-D20 PolarHBondContact O-N 3.34Å; S17-D20 PolarHBondContact OG-OD1 2.91Å | ||
| 18 | Y | 67.9 | Low | 69.1 | Low | 221 Ų | 221 | 130.1 Ų | 130.1 | 87% | 0.867 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -7.9 | 178.6 | -91.7 | -94.2 | 0 | 0 | 0 | 113.8 | I16 V22 | I16-Y18 PolarHBondContact O-N 2.89Å; I16-Y18 VanDerWaalsContact O-N 3.12Å; Y18-V22 WeakPolarHBondContact O-CG2 3.29Å |
| 19 | L | 77.7 | Confident | 70.8 | Confident | 117 Ų | 117 | 133.3 Ų | 133.3 | 61% | 0.613 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -2 | 179.5 | -57.4 | -178.3 | 0 | 0 | 0 | 113.3 | S17 D21 V22 | S17-L19 PolarHBondContact O-N 2.97Å; S17-L19 PolarHBondContact OG-N 3.17Å; L19-D21 VanDerWaalsContact C-N 3.28Å; L19-D21 PolarHBondContact O-N 3.48Å; L19-V22 HydrophobicContact CD2-CG2 4.23Å; L19-V22 PolarHBondContact O-N 3.27Å |
| 20 | D | 75.9 | Confident | 72.8 | Confident | 110 Ų | 110 | 133.1 Ų | 133.1 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -33.9 | -175.6 | -75.2 | -9.3 | 0 | 0 | 0 | 112.4 | S17 | S17-D20 VanDerWaalsContact CB-CG 3.41Å; S17-D20 WeakPolarHBondContact CB-OD1 3.49Å; S17-D20 WeakPolarHBondContact CB-OD2 3.38Å; S17-D20 PolarHBondContact N-OD2 3.33Å; S17-D20 WeakPolarHBondContact O-CB 3.19Å; S17-D20 PolarHBondContact O-N 3.34Å; S17-D20 PolarHBondContact OG-OD1 2.91Å |
| 21 | D | 79 | Confident | 74.4 | Confident | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 8.2 | 179.2 | -65.4 | -43.3 | 0 | 0 | 0 | 113.3 | L19 P23 | L19-D21 VanDerWaalsContact C-N 3.28Å; L19-D21 PolarHBondContact O-N 3.48Å; D21-P23 WeakPolarHBondContact O-CD 3.29Å |
| 22 | V | 83.6 | Confident | 76 | Confident | 73 Ų | 73 | 139.4 Ų | 139.4 | 44% | 0.442 | 70% | 0.697 | S | S | . | * | trans | -85.7 | 110.3 | 177.1 | 179 | 0 | 0 | 0 | 0 | 108.6 | Y18 L19 F24 | Y18-V22 WeakPolarHBondContact O-CG2 3.29Å; L19-V22 HydrophobicContact CD2-CG2 4.23Å; L19-V22 PolarHBondContact O-N 3.27Å; V22-F24 WeakPolarHBondContact O-CD1 3.38Å; V22-F24 PolarHBondContact O-N 3.21Å | ||
| 23 | P | 82.9 | Confident | 77.8 | Confident | 128 Ų | 128 | 137.1 Ų | 137.1 | 83% | 0.831 | 69% | 0.69 | S | S | * | * | trans | -69.7 | 105.5 | 178.9 | 27.9 | -33.1 | 0 | 0 | 0 | 109.6 | D21 | D21-P23 WeakPolarHBondContact O-CD 3.29Š| ||
| 24 | F | 81.3 | Confident | 79.4 | Confident | 153 Ų | 153 | 134.7 Ų | 134.7 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | trans | -109.8 | 144.4 | 171.8 | 66.7 | -88.5 | 0 | 0 | 0 | 111 | V22 I26 | V22-F24 WeakPolarHBondContact O-CD1 3.38Å; V22-F24 PolarHBondContact O-N 3.21Å; F24-I26 HydrophobicContact CD2-CG1 3.89Å; F24-I26 HydrophobicContact CE2-CD1 3.91Å; F24-I26 HydrophobicContact CE2-CG1 3.61Å | ||
| 25 | K | 86.7 | Confident | 80.5 | Confident | 204 Ų | 204 | 141.5 Ų | 141.5 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | trans | -103.4 | 114.3 | 175.3 | -171.8 | 174.3 | -178.4 | 178.7 | 0 | 108.7 | N27 | K25-N27 PolarHBondContact O-N 2.92Š| ||
| 26 | I | 85.4 | Confident | 81.6 | Confident | 103 Ų | 103 | 141.8 Ų | 141.8 | 53% | 0.528 | 70% | 0.704 | S | S | . | * | trans | -71.1 | 126.8 | 169.8 | -57.4 | 174.8 | 0 | 0 | 0 | 107.5 | F24 F30 | F24-I26 HydrophobicContact CD2-CG1 3.89Å; F24-I26 HydrophobicContact CE2-CD1 3.91Å; F24-I26 HydrophobicContact CE2-CG1 3.61Å; I26-F30 HydrophobicContact CG2-CB 3.51Å; I26-F30 HydrophobicContact CG2-CD1 3.79Å; I26-F30 HydrophobicContact CG2-CG 3.76Å | ||
| 27 | N | 87.4 | Confident | 82.8 | Confident | 99 Ų | 99 | 138.6 Ų | 138.6 | 53% | 0.529 | 71% | 0.705 | S | S | . | * | trans | -70.9 | 144.5 | 177.6 | -166.6 | -45.2 | 0 | 0 | 0 | 110 | K25 K29 F30 | K25-N27 PolarHBondContact O-N 2.92Å; N27-K29 PolarHBondContact O-N 3.14Å; N27-K29 WeakPolarHBondContact OD1-CG 3.33Å; N27-K29 PolarHBondContact OD1-N 3.02Å; N27-F30 WeakPolarHBondContact O-CB 3.41Å; N27-F30 PolarHBondContact O-N 3.22Å | ||
| 28 | D | 87.3 | Confident | 83.6 | Confident | 169 Ų | 169 | 141.5 Ų | 141.5 | 90% | 0.904 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -17.5 | 173.9 | -70.8 | -22.7 | 0 | 0 | 0 | 113.3 | F30 | D28-F30 PolarHBondContact O-N 2.95Š|
| 29 | K | 87.9 | Confident | 84.5 | Confident | 176 Ų | 176 | 135.6 Ų | 135.6 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -13.4 | 171.5 | -61.4 | 180 | -166.5 | -71.6 | 0 | 113.2 | N27 R31 | N27-K29 PolarHBondContact O-N 3.14Å; N27-K29 WeakPolarHBondContact OD1-CG 3.33Å; N27-K29 PolarHBondContact OD1-N 3.02Å; K29-R31 PolarHBondContact O-N 2.98Å |
| 30 | F | 88.7 | Confident | 84.8 | Confident | 136 Ų | 136 | 137.7 Ų | 137.7 | 60% | 0.596 | 72% | 0.722 | S | S | * | * | trans | -70 | 101.2 | 178.6 | -176.1 | -99.8 | 0 | 0 | 0 | 110.1 | I26 N27 D28 | I26-F30 HydrophobicContact CG2-CB 3.51Å; I26-F30 HydrophobicContact CG2-CD1 3.79Å; I26-F30 HydrophobicContact CG2-CG 3.76Å; N27-F30 WeakPolarHBondContact O-CB 3.41Å; N27-F30 PolarHBondContact O-N 3.22Å; D28-F30 PolarHBondContact O-N 2.95Å | ||
| 31 | R | 86.9 | Confident | 85.2 | Confident | 226 Ų | 226 | 135.8 Ų | 135.8 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 120.3 | 166.4 | -72.2 | -86.9 | -175.3 | 174.4 | -1 | 107.2 | K29 P33 | K29-R31 PolarHBondContact O-N 2.98Å; R31-P33 WeakPolarHBondContact O-CD 3.49Å; R31-P33 VanDerWaalsContact O-N 3.16Å |
| 32 | R | 85.5 | Confident | 85.4 | Confident | 198 Ų | 198 | 133.7 Ų | 133.7 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 124.8 | 167.2 | -176.8 | -176.1 | -71.8 | 109.6 | -1.4 | 107.4 | A34 | R32-A34 PolarHBondContact O-N 3.21Š|
| 33 | P | 86.6 | Confident | 85.3 | Confident | 100 Ų | 100 | 137.6 Ų | 137.6 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 143.5 | 174.7 | -28.1 | 35.5 | 0 | 0 | 0 | 110.4 | R31 K35 | R31-P33 WeakPolarHBondContact O-CD 3.49Å; R31-P33 VanDerWaalsContact O-N 3.16Å; P33-K35 PolarHBondContact O-N 3.07Å |
| 34 | A | 85.4 | Confident | 85.2 | Confident | 91 Ų | 91 | 137.6 Ų | 137.6 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -56 | 133 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | R32 V36 | R32-A34 PolarHBondContact O-N 3.21Å; A34-V36 PolarHBondContact O-N 3.45Å |
| 35 | K | 84.3 | Confident | 85.3 | Confident | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 71% | 0.711 | S | S | * | * | trans | -63.5 | 106.4 | 170.7 | -68.4 | -174.4 | 178.7 | -171.8 | 0 | 106.4 | P33 G37 | P33-K35 PolarHBondContact O-N 3.07Å; K35-G37 PolarHBondContact O-N 3.02Å | ||
| 36 | V | 85.4 | Confident | 85.3 | Confident | 137 Ų | 137 | 129.6 Ų | 129.6 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -65 | 119.9 | 170.2 | -68.4 | 0 | 0 | 0 | 0 | 106.6 | A34 | A34-V36 PolarHBondContact O-N 3.45Š|
| 37 | G | 83.6 | Confident | 85.2 | Confident | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 150.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | K35 | K35-G37 PolarHBondContact O-N 3.02Š|
| 38 | L | 85.6 | Confident | 85.2 | Confident | 112 Ų | 112 | 129.1 Ų | 129.1 | 59% | 0.586 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 151.3 | 168.6 | -62.2 | 160.2 | 0 | 0 | 0 | 108.6 | F42 | L38-F42 HydrophobicContact CB-CB 3.86Å; L38-F42 HydrophobicContact CB-CD1 3.82Å; L38-F42 HydrophobicContact CB-CG 4.01Å; L38-F42 HydrophobicContact CD1-CD1 3.43Å; L38-F42 VanDerWaalsContact CD1-CD1 3.43Å; L38-F42 HydrophobicContact CD1-CE1 3.68Å; L38-F42 HydrophobicContact CD1-CG 4.43Å; L38-F42 HydrophobicContact CD2-CD1 3.99Å; L38-F42 HydrophobicContact CD2-CE1 4.04Å; L38-F42 HydrophobicContact CD2-CG 4.44Å; L38-F42 HydrophobicContact CG-CD1 3.91Å; L38-F42 HydrophobicContact CG-CE1 4.32Å |
| 39 | P | 88.2 | Confident | 85 | Confident | 98 Ų | 98 | 123.1 Ų | 123.1 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 147.4 | 176.3 | -26.8 | 34.9 | 0 | 0 | 0 | 112 | G41 F42 | P39-G41 PolarHBondContact O-N 3.17Å; P39-G41 VanDerWaalsContact O-N 3.14Å; P39-F42 WeakPolarHBondContact O-CB 3.19Å; P39-F42 PolarHBondContact O-N 3.01Å |
| 40 | V | 83.2 | Confident | 84.8 | Confident | 160 Ų | 160 | 118.7 Ų | 118.7 | 97% | 0.97 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 122.2 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 41 | G | 84.7 | Confident | 84.6 | Confident | 70 Ų | 70 | 118.5 Ų | 118.5 | 72% | 0.722 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97 | -3.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P39 L43 | P39-G41 PolarHBondContact O-N 3.17Å; P39-G41 VanDerWaalsContact O-N 3.14Å; G41-L43 PolarHBondContact O-N 3.18Å |
| 42 | F | 83.3 | Confident | 84.5 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 48% | 0.482 | 66% | 0.655 | S | S | . | * | trans | -73.1 | 110.6 | 170.2 | -172.1 | -86.1 | 0 | 0 | 0 | 110.1 | L38 P39 M44 | L38-F42 HydrophobicContact CB-CB 3.86Å; L38-F42 HydrophobicContact CB-CD1 3.82Å; L38-F42 HydrophobicContact CB-CG 4.01Å; L38-F42 HydrophobicContact CD1-CD1 3.43Å; L38-F42 VanDerWaalsContact CD1-CD1 3.43Å; L38-F42 HydrophobicContact CD1-CE1 3.68Å; L38-F42 HydrophobicContact CD1-CG 4.43Å; L38-F42 HydrophobicContact CD2-CD1 3.99Å; L38-F42 HydrophobicContact CD2-CE1 4.04Å; L38-F42 HydrophobicContact CD2-CG 4.44Å; L38-F42 HydrophobicContact CG-CD1 3.91Å; L38-F42 HydrophobicContact CG-CE1 4.32Å; P39-F42 WeakPolarHBondContact O-CB 3.19Å; P39-F42 PolarHBondContact O-N 3.01Å; F42-M44 HydrophobicContact CE1-CB 4.22Å | ||
| 43 | L | 82 | Confident | 84.4 | Confident | 154 Ų | 154 | 108.6 Ų | 108.6 | 81% | 0.806 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 117.8 | 171.3 | -63.6 | 175.4 | 0 | 0 | 0 | 107.8 | G41 P45 | G41-L43 PolarHBondContact O-N 3.18Å; L43-P45 WeakPolarHBondContact O-CD 3.19Å |
| 44 | M | 80.4 | Confident | 84.4 | Confident | 129 Ų | 129 | 107.7 Ų | 107.7 | 64% | 0.635 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124.1 | 171.4 | -167.6 | 162.9 | 72.9 | 0 | 0 | 108.1 | F42 Y47 | F42-M44 HydrophobicContact CE1-CB 4.22Å; M44-Y47 HydrophobicContact CG-CD2 4.32Å; M44-Y47 HydrophobicContact CG-CE2 3.56Å; M44-Y47 HydrophobicContact SD-CE2 4.03Å |
| 45 | P | 83.1 | Confident | 84.5 | Confident | 74 Ų | 74 | 112.6 Ų | 112.6 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 143.4 | 173.4 | -23.4 | 34 | 0 | 0 | 0 | 110.4 | L43 Y47 | L43-P45 WeakPolarHBondContact O-CD 3.19Å; P45-Y47 VanDerWaalsContact C-N 3.33Å; P45-Y47 VanDerWaalsContact O-CD2 3.29Å; P45-Y47 WeakPolarHBondContact O-CD2 3.33Å; P45-Y47 PolarHBondContact O-N 3.37Å |
| 46 | D | 86.6 | Confident | 84.8 | Confident | 115 Ų | 115 | 109.6 Ų | 109.6 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | trans | -72.1 | 92 | 173.5 | -176.6 | 6.9 | 0 | 0 | 0 | 109.5 | G48 A49 V50 | D46-G48 PolarHBondContact O-N 3.25Å; D46-G48 WeakPolarHBondContact OD1-CA 3.49Å; D46-G48 PolarHBondContact OD1-N 2.86Å; D46-A49 HydrophobicContact CB-CB 4.31Å; D46-A49 PolarHBondContact O-N 3.42Å; D46-V50 PolarHBondContact O-N 3.04Å | ||
| 47 | Y | 83.4 | Confident | 85.1 | Confident | 145 Ų | 145 | 107.2 Ų | 107.2 | 57% | 0.569 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.7 | -22.7 | 176.9 | -61 | -73.7 | 0 | 0 | 0 | 112.5 | M44 P45 L51 | M44-Y47 HydrophobicContact CG-CD2 4.32Å; M44-Y47 HydrophobicContact CG-CE2 3.56Å; M44-Y47 HydrophobicContact SD-CE2 4.03Å; P45-Y47 VanDerWaalsContact C-N 3.33Å; P45-Y47 VanDerWaalsContact O-CD2 3.29Å; P45-Y47 WeakPolarHBondContact O-CD2 3.33Å; P45-Y47 PolarHBondContact O-N 3.37Å; Y47-L51 WeakPolarHBondContact O-CB 3.35Å; Y47-L51 PolarHBondContact O-N 3.26Å |
| 48 | G | 86.1 | Confident | 85.7 | Confident | 46 Ų | 46 | 109.6 Ų | 109.6 | 47% | 0.474 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.7 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D46 A52 | D46-G48 PolarHBondContact O-N 3.25Å; D46-G48 WeakPolarHBondContact OD1-CA 3.49Å; D46-G48 PolarHBondContact OD1-N 2.86Å; G48-A52 VanDerWaalsContact O-CB 3.29Å; G48-A52 WeakPolarHBondContact O-CB 3.1Å; G48-A52 PolarHBondContact O-N 2.6Å |
| 49 | A | 83.7 | Confident | 86.3 | Confident | 43 Ų | 43 | 107 Ų | 107 | 36% | 0.355 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.2 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D46 L51 A52 D53 | D46-A49 HydrophobicContact CB-CB 4.31Å; D46-A49 PolarHBondContact O-N 3.42Å; A49-L51 VanDerWaalsContact C-N 3.29Å; A49-L51 PolarHBondContact O-N 3.29Å; A49-A52 PolarHBondContact O-N 2.54Å; A49-D53 PolarHBondContact O-N 2.93Å |
| 50 | V | 83.6 | Confident | 86.6 | Confident | 84 Ų | 84 | 105.8 Ų | 105.8 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.2 | -43.9 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 111 | D46 D53 T54 | D46-V50 PolarHBondContact O-N 3.04Å; V50-D53 PolarHBondContact O-N 3.21Å; V50-T54 WeakPolarHBondContact O-CG2 3.28Å; V50-T54 PolarHBondContact O-N 3.48Å; V50-T54 PolarHBondContact O-OG1 3.3Å |
| 51 | L | 85.3 | Confident | 87.3 | Confident | 131 Ų | 131 | 101.5 Ų | 101.5 | 69% | 0.686 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.2 | -30.2 | -179.1 | -160.8 | 69.9 | 0 | 0 | 0 | 112.7 | Y47 A49 D53 T54 | Y47-L51 WeakPolarHBondContact O-CB 3.35Å; Y47-L51 PolarHBondContact O-N 3.26Å; A49-L51 VanDerWaalsContact C-N 3.29Å; A49-L51 PolarHBondContact O-N 3.29Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-T54 WeakPolarHBondContact CA-OG1 3.09Å; L51-T54 PolarHBondContact O-OG1 3.49Å |
| 52 | A | 85 | Confident | 87.9 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.3 | -32.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | G48 A49 | G48-A52 VanDerWaalsContact O-CB 3.29Å; G48-A52 WeakPolarHBondContact O-CB 3.1Å; G48-A52 PolarHBondContact O-N 2.6Å; A49-A52 PolarHBondContact O-N 2.54Å |
| 53 | D | 83.2 | Confident | 88.6 | Confident | 135 Ų | 135 | 107.2 Ų | 107.2 | 72% | 0.722 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -80.8 | -25.3 | 178.4 | -68.5 | -20.8 | 0 | 0 | 0 | 112.4 | A49 V50 L51 K55 | A49-D53 PolarHBondContact O-N 2.93Å; V50-D53 PolarHBondContact O-N 3.21Å; L51-D53 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 3.14Å; D53-K55 VanDerWaalsContact O-N 3.08Å |
| 54 | T | 85.5 | Confident | 89.4 | Confident | 80 Ų | 80 | 102.9 Ų | 102.9 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | trans | -72 | 102.5 | 173.4 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | V50 L51 | V50-T54 WeakPolarHBondContact O-CG2 3.28Å; V50-T54 PolarHBondContact O-N 3.48Å; V50-T54 PolarHBondContact O-OG1 3.3Å; L51-T54 WeakPolarHBondContact CA-OG1 3.09Å; L51-T54 PolarHBondContact O-OG1 3.49Å | ||
| 55 | K | 87.6 | Confident | 90.3 | Very high | 195 Ų | 195 | 101.2 Ų | 101.2 | 85% | 0.848 | 53% | 0.53 | S | S | * | . | trans | -95.6 | 98.6 | 170.1 | -173.4 | -177.2 | 177.8 | -175.6 | 0 | 110.3 | D53 D57 | D53-K55 PolarHBondContact O-N 3.14Å; D53-K55 VanDerWaalsContact O-N 3.08Å; K55-D57 PolarHBondContact O-N 3.42Å | ||
| 56 | Y | 91.5 | Very high | 91 | Very high | 132 Ų | 132 | 104.3 Ų | 104.3 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | trans | -69.9 | 124.8 | 173.6 | -171.2 | -107.1 | 0 | 0 | 0 | 111.3 | F58 E61 | Y56-F58 AromaticContact CD1-CD1 3.99Å; Y56-F58 HydrophobicContact CD1-CD1 3.99Å; Y56-F58 HydrophobicContact CD1-CD2 4.29Å; Y56-F58 AromaticContact CD1-CE1 3.9Å; Y56-F58 HydrophobicContact CD1-CE1 3.9Å; Y56-F58 HydrophobicContact CD1-CE2 4.2Å; Y56-F58 HydrophobicContact CD1-CG 4.18Å; Y56-F58 HydrophobicContact CD1-CZ 4.01Å; Y56-F58 AromaticContact CE1-CD1 3.66Å; Y56-F58 HydrophobicContact CE1-CD1 3.66Å; Y56-F58 AromaticContact CE1-CE1 3.84Å; Y56-F58 HydrophobicContact CE1-CE1 3.84Å; Y56-F58 HydrophobicContact CE1-CG 4.11Å; Y56-F58 HydrophobicContact CE1-CZ 4.42Å; Y56-E61 WeakPolarHBondContact CE1-OE1 3.13Å; Y56-E61 VanDerWaalsContact CZ-OE1 3.26Å; Y56-E61 VanDerWaalsContact OH-CD 3.31Å; Y56-E61 PolarHBondContact OH-OE1 3.16Å; Y56-E61 PolarHBondContact OH-OE2 2.74Å | ||
| 57 | D | 91.7 | Very high | 91.6 | Very high | 86 Ų | 86 | 105.9 Ų | 105.9 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | trans | -102.6 | 120.5 | 173.4 | 82.4 | -42.9 | 0 | 0 | 0 | 110.4 | K55 T59 | K55-D57 PolarHBondContact O-N 3.42Å; D57-T59 PolarHBondContact O-N 3.07Å; D57-T59 VanDerWaalsContact OD2-CB 3.28Å; D57-T59 WeakPolarHBondContact OD2-CB 3.34Å; D57-T59 PolarHBondContact OD2-OG1 2.71Å | ||
| 58 | F | 96.2 | Very high | 92.3 | Very high | 121 Ų | 121 | 100.7 Ų | 100.7 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 32.3 | -177.1 | -64 | -91 | 0 | 0 | 0 | 114.1 | Y56 E61 R62 | Y56-F58 AromaticContact CD1-CD1 3.99Å; Y56-F58 HydrophobicContact CD1-CD1 3.99Å; Y56-F58 HydrophobicContact CD1-CD2 4.29Å; Y56-F58 AromaticContact CD1-CE1 3.9Å; Y56-F58 HydrophobicContact CD1-CE1 3.9Å; Y56-F58 HydrophobicContact CD1-CE2 4.2Å; Y56-F58 HydrophobicContact CD1-CG 4.18Å; Y56-F58 HydrophobicContact CD1-CZ 4.01Å; Y56-F58 AromaticContact CE1-CD1 3.66Å; Y56-F58 HydrophobicContact CE1-CD1 3.66Å; Y56-F58 AromaticContact CE1-CE1 3.84Å; Y56-F58 HydrophobicContact CE1-CE1 3.84Å; Y56-F58 HydrophobicContact CE1-CG 4.11Å; Y56-F58 HydrophobicContact CE1-CZ 4.42Å; F58-E61 WeakPolarHBondContact CA-OE2 3.29Å; F58-E61 HydrophobicContact CD1-CG 4.39Å; F58-R62 WeakPolarHBondContact O-CG 3.46Å; F58-R62 VanDerWaalsContact O-CZ 3.26Å; F58-R62 PolarHBondContact O-N 2.97Å; F58-R62 VanDerWaalsContact O-N 3.14Å; F58-R62 PolarHBondContact O-NE 3.22Å; F58-R62 PolarHBondContact O-NH1 2.91Å |
| 59 | T | 97.2 | Very high | 92.8 | Very high | 57 Ų | 57 | 103 Ų | 103 | 35% | 0.35 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.7 | -36.5 | -174.3 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | D57 R62 R63 | D57-T59 PolarHBondContact O-N 3.07Å; D57-T59 VanDerWaalsContact OD2-CB 3.28Å; D57-T59 WeakPolarHBondContact OD2-CB 3.34Å; D57-T59 PolarHBondContact OD2-OG1 2.71Å; T59-R62 PolarHBondContact OG1-NH2 3.49Å; T59-R63 WeakPolarHBondContact O-CB 2.86Å; T59-R63 PolarHBondContact O-N 3.43Å |
| 60 | L | 96 | Very high | 93.5 | Very high | 72 Ų | 72 | 106.8 Ų | 106.8 | 38% | 0.377 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -48.1 | 176.5 | -178 | 62.2 | 0 | 0 | 0 | 110.9 | R62 R63 S64 | L60-R62 PolarHBondContact O-N 3.05Å; L60-R63 WeakPolarHBondContact O-CA 3.24Å; L60-R63 WeakPolarHBondContact O-CB 3.4Å; L60-R63 PolarHBondContact O-N 3.38Å; L60-S64 PolarHBondContact O-N 3.41Å; L60-S64 PolarHBondContact O-OG 3.23Å; L60-S64 VanDerWaalsContact O-OG 3.11Å |
| 61 | E | 97.5 | Very high | 94.2 | Very high | 70 Ų | 70 | 105.8 Ų | 105.8 | 33% | 0.327 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 179.3 | -65.9 | 82.6 | 170 | 0 | 0 | 111 | Y56 F58 R63 S64 V65 | Y56-E61 WeakPolarHBondContact CE1-OE1 3.13Å; Y56-E61 VanDerWaalsContact CZ-OE1 3.26Å; Y56-E61 VanDerWaalsContact OH-CD 3.31Å; Y56-E61 PolarHBondContact OH-OE1 3.16Å; Y56-E61 PolarHBondContact OH-OE2 2.74Å; F58-E61 WeakPolarHBondContact CA-OE2 3.29Å; F58-E61 HydrophobicContact CD1-CG 4.39Å; E61-R63 PolarHBondContact O-N 2.64Å; E61-S64 PolarHBondContact O-N 3.28Å; E61-V65 VanDerWaalsContact O-CG2 3.3Å; E61-V65 WeakPolarHBondContact O-CG2 3.3Å; E61-V65 PolarHBondContact O-N 2.92Å |
| 62 | R | 97.9 | Very high | 94.8 | Very high | 131 Ų | 131 | 102.2 Ų | 102.2 | 49% | 0.494 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -31.7 | 175.3 | -74 | -173.5 | -63.9 | -91.9 | 1.5 | 112.3 | F58 T59 L60 R66 | F58-R62 WeakPolarHBondContact O-CG 3.46Å; F58-R62 VanDerWaalsContact O-CZ 3.26Å; F58-R62 PolarHBondContact O-N 2.97Å; F58-R62 VanDerWaalsContact O-N 3.14Å; F58-R62 PolarHBondContact O-NE 3.22Å; F58-R62 PolarHBondContact O-NH1 2.91Å; T59-R62 PolarHBondContact OG1-NH2 3.49Å; L60-R62 PolarHBondContact O-N 3.05Å; R62-R66 WeakPolarHBondContact O-CG 3.38Å; R62-R66 PolarHBondContact O-N 3.11Å; R62-R66 PolarHBondContact O-NE 2.94Å |
| 63 | R | 98.1 | Very high | 95.5 | Very high | 170 Ų | 170 | 103 Ų | 103 | 64% | 0.642 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -74.6 | -45.6 | 176 | -163.5 | 179.7 | -141.9 | 142.8 | 2.6 | 111.1 | T59 L60 E61 V65 R66 W67 | T59-R63 WeakPolarHBondContact O-CB 2.86Å; T59-R63 PolarHBondContact O-N 3.43Å; L60-R63 WeakPolarHBondContact O-CA 3.24Å; L60-R63 WeakPolarHBondContact O-CB 3.4Å; L60-R63 PolarHBondContact O-N 3.38Å; E61-R63 PolarHBondContact O-N 2.64Å; R63-V65 VanDerWaalsContact C-N 3.33Å; R63-V65 PolarHBondContact O-N 3.42Å; R63-R66 PolarHBondContact O-N 2.86Å; R63-W67 PolarHBondContact O-N 3.01Å |
| 64 | S | 98.2 | Very high | 96.1 | Very high | 63 Ų | 63 | 99.3 Ų | 99.3 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 178.7 | -58 | 0 | 0 | 0 | 0 | 112.2 | L60 E61 W67 G68 | L60-S64 PolarHBondContact O-N 3.41Å; L60-S64 PolarHBondContact O-OG 3.23Å; L60-S64 VanDerWaalsContact O-OG 3.11Å; E61-S64 PolarHBondContact O-N 3.28Å; S64-W67 PolarHBondContact O-N 3.01Å; S64-G68 PolarHBondContact O-N 2.71Å |
| 65 | V | 98.4 | Very high | 96.7 | Very high | 93 Ų | 93 | 103.8 Ų | 103.8 | 56% | 0.564 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -46.2 | 175.3 | 171 | 0 | 0 | 0 | 0 | 111.3 | E61 R63 W67 G68 I69 | E61-V65 VanDerWaalsContact O-CG2 3.3Å; E61-V65 WeakPolarHBondContact O-CG2 3.3Å; E61-V65 PolarHBondContact O-N 2.92Å; R63-V65 VanDerWaalsContact C-N 3.33Å; R63-V65 PolarHBondContact O-N 3.42Å; V65-W67 PolarHBondContact O-N 3.26Å; V65-G68 PolarHBondContact O-N 3.28Å; V65-I69 HydrophobicContact CG1-CD1 4.12Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 2.85Å |
| 66 | R | 98.2 | Very high | 97.2 | Very high | 139 Ų | 139 | 96.5 Ų | 96.5 | 53% | 0.525 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.8 | -75.5 | -176 | -67.3 | 162 | 0.1 | 112 | R62 R63 G68 I69 E70 | R62-R66 WeakPolarHBondContact O-CG 3.38Å; R62-R66 PolarHBondContact O-N 3.11Å; R62-R66 PolarHBondContact O-NE 2.94Å; R63-R66 PolarHBondContact O-N 2.86Å; R66-G68 VanDerWaalsContact C-N 3.28Å; R66-G68 PolarHBondContact O-N 3.18Å; R66-I69 WeakPolarHBondContact O-CB 3.46Å; R66-I69 PolarHBondContact O-N 3.39Å; R66-I69 VanDerWaalsContact O-N 3.13Å; R66-E70 WeakPolarHBondContact O-CG 3.36Å; R66-E70 PolarHBondContact O-N 2.93Å |
| 67 | W | 98.3 | Very high | 97.5 | Very high | 149 Ų | 149 | 92.6 Ų | 92.6 | 56% | 0.564 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.2 | -40.5 | 175.7 | 177.6 | 61.3 | 0 | 0 | 0 | 112.1 | R63 S64 V65 I69 E70 L71 | R63-W67 PolarHBondContact O-N 3.01Å; S64-W67 PolarHBondContact O-N 3.01Å; V65-W67 PolarHBondContact O-N 3.26Å; W67-I69 PolarHBondContact O-N 3.41Å; W67-E70 PolarHBondContact O-N 3.26Å; W67-L71 HydrophobicContact CZ2-CD2 4.48Å; W67-L71 WeakPolarHBondContact O-CB 3.37Å; W67-L71 PolarHBondContact O-N 2.78Å |
| 68 | G | 98.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 91.3 Ų | 91.3 | 37% | 0.371 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S64 V65 R66 A72 | S64-G68 PolarHBondContact O-N 2.71Å; V65-G68 PolarHBondContact O-N 3.28Å; R66-G68 VanDerWaalsContact C-N 3.28Å; R66-G68 PolarHBondContact O-N 3.18Å; G68-A72 PolarHBondContact O-N 2.86Å; G68-A72 VanDerWaalsContact O-N 3.08Å |
| 69 | I | 98.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 88.2 Ų | 88.2 | 48% | 0.482 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -50 | 175.3 | -65.2 | 164.3 | 0 | 0 | 0 | 110.3 | V65 R66 W67 L71 A72 D73 | V65-I69 HydrophobicContact CG1-CD1 4.12Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 2.85Å; R66-I69 WeakPolarHBondContact O-CB 3.46Å; R66-I69 PolarHBondContact O-N 3.39Å; R66-I69 VanDerWaalsContact O-N 3.13Å; W67-I69 PolarHBondContact O-N 3.41Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.08Å; I69-A72 WeakPolarHBondContact O-CB 3.45Å; I69-A72 PolarHBondContact O-N 3.12Å; I69-A72 VanDerWaalsContact O-N 3.11Å; I69-D73 PolarHBondContact O-N 2.92Å |
| 70 | E | 98.2 | Very high | 97.7 | Very high | 122 Ų | 122 | 93.5 Ų | 93.5 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.2 | -39.7 | 178.9 | -71.3 | 169 | -166.1 | 0 | 0 | 111.9 | R66 W67 D73 A74 | R66-E70 WeakPolarHBondContact O-CG 3.36Å; R66-E70 PolarHBondContact O-N 2.93Å; W67-E70 PolarHBondContact O-N 3.26Å; E70-D73 PolarHBondContact O-N 3.11Å; E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 2.9Å |
| 71 | L | 97.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 93 Ų | 93 | 34% | 0.335 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 177.3 | -174.8 | 62.5 | 0 | 0 | 0 | 112.3 | W67 I69 R75 | W67-L71 HydrophobicContact CZ2-CD2 4.48Å; W67-L71 WeakPolarHBondContact O-CB 3.37Å; W67-L71 PolarHBondContact O-N 2.78Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.08Å; L71-R75 WeakPolarHBondContact O-CG 3.48Å; L71-R75 PolarHBondContact O-N 3.39Å; L71-R75 VanDerWaalsContact O-N 3.08Å |
| 72 | A | 98.1 | Very high | 97.4 | Very high | 56 Ų | 56 | 96.6 Ų | 96.6 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G68 I69 R75 A76 | G68-A72 PolarHBondContact O-N 2.86Å; G68-A72 VanDerWaalsContact O-N 3.08Å; I69-A72 WeakPolarHBondContact O-CB 3.45Å; I69-A72 PolarHBondContact O-N 3.12Å; I69-A72 VanDerWaalsContact O-N 3.11Å; A72-R75 PolarHBondContact O-N 3.47Å; A72-A76 WeakPolarHBondContact O-CB 3.13Å; A72-A76 PolarHBondContact O-N 3.37Å |
| 73 | D | 98.4 | Very high | 97.2 | Very high | 99 Ų | 99 | 95.4 Ų | 95.4 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 176.7 | -73.6 | -18.8 | 0 | 0 | 0 | 111.5 | I69 E70 R75 A76 A77 | I69-D73 PolarHBondContact O-N 2.92Å; E70-D73 PolarHBondContact O-N 3.11Å; D73-R75 PolarHBondContact O-N 3.14Å; D73-A76 PolarHBondContact O-N 3.13Å; D73-A77 WeakPolarHBondContact O-CB 3.28Å; D73-A77 PolarHBondContact O-N 3.23Å |
| 74 | A | 97.3 | Very high | 97 | Very high | 57 Ų | 57 | 89.6 Ų | 89.6 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E70 A77 A78 | E70-A74 WeakPolarHBondContact O-CB 3.48Å; E70-A74 PolarHBondContact O-N 2.9Å; A74-A77 PolarHBondContact O-N 3.41Å; A74-A78 WeakPolarHBondContact O-CB 3.41Å; A74-A78 PolarHBondContact O-N 2.98Å |
| 75 | R | 98.3 | Very high | 96.8 | Very high | 173 Ų | 173 | 89.2 Ų | 89.2 | 65% | 0.653 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 175.7 | -73.3 | 177.7 | -175.1 | 177.6 | 2.9 | 112.2 | L71 A72 D73 A77 A78 A79 | L71-R75 WeakPolarHBondContact O-CG 3.48Å; L71-R75 PolarHBondContact O-N 3.39Å; L71-R75 VanDerWaalsContact O-N 3.08Å; A72-R75 PolarHBondContact O-N 3.47Å; D73-R75 PolarHBondContact O-N 3.14Å; R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 3.24Å; R75-A78 PolarHBondContact O-N 3.47Å; R75-A79 PolarHBondContact O-N 3.36Å |
| 76 | A | 97.8 | Very high | 96.5 | Very high | 43 Ų | 43 | 87.3 Ų | 87.3 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -32.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A72 D73 R80 | A72-A76 WeakPolarHBondContact O-CB 3.13Å; A72-A76 PolarHBondContact O-N 3.37Å; D73-A76 PolarHBondContact O-N 3.13Å; A76-R80 WeakPolarHBondContact O-CB 3.39Å; A76-R80 WeakPolarHBondContact O-CG 3.32Å; A76-R80 PolarHBondContact O-N 3.07Å; A76-R80 PolarHBondContact O-NE 2.88Å; A76-R80 VanDerWaalsContact O-NE 3.16Å |
| 77 | A | 96.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 86 Ų | 86 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.4 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D73 A74 R75 R80 A81 | D73-A77 WeakPolarHBondContact O-CB 3.28Å; D73-A77 PolarHBondContact O-N 3.23Å; A74-A77 PolarHBondContact O-N 3.41Å; R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 3.24Å; A77-R80 PolarHBondContact O-N 3.41Å; A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 3.35Å |
| 78 | A | 96.2 | Very high | 95.6 | Very high | 59 Ų | 59 | 85.4 Ų | 85.4 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A74 R75 R80 A81 E82 | A74-A78 WeakPolarHBondContact O-CB 3.41Å; A74-A78 PolarHBondContact O-N 2.98Å; R75-A78 PolarHBondContact O-N 3.47Å; A78-R80 VanDerWaalsContact C-N 3.3Å; A78-R80 PolarHBondContact O-N 3.29Å; A78-A81 WeakPolarHBondContact O-CB 3.27Å; A78-A81 PolarHBondContact O-N 3.44Å; A78-A81 VanDerWaalsContact O-N 3.11Å; A78-E82 PolarHBondContact O-N 3.11Å |
| 79 | A | 96.8 | Very high | 95 | Very high | 56 Ų | 56 | 90.6 Ų | 90.6 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | R75 E82 E83 | R75-A79 PolarHBondContact O-N 3.36Å; A79-E82 PolarHBondContact O-N 2.86Å; A79-E83 PolarHBondContact O-N 3.26Å |
| 80 | R | 96.5 | Very high | 94.4 | Very high | 168 Ų | 168 | 88.9 Ų | 88.9 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.3 | -36.7 | 174.9 | -79 | -174.2 | -84.9 | 156 | -12.5 | 112.7 | A76 A77 A78 A84 | A76-R80 WeakPolarHBondContact O-CB 3.39Å; A76-R80 WeakPolarHBondContact O-CG 3.32Å; A76-R80 PolarHBondContact O-N 3.07Å; A76-R80 PolarHBondContact O-NE 2.88Å; A76-R80 VanDerWaalsContact O-NE 3.16Å; A77-R80 PolarHBondContact O-N 3.41Å; A78-R80 VanDerWaalsContact C-N 3.3Å; A78-R80 PolarHBondContact O-N 3.29Å; R80-A84 VanDerWaalsContact O-CB 3.32Å; R80-A84 WeakPolarHBondContact O-CB 3.46Å; R80-A84 PolarHBondContact O-N 2.94Å |
| 81 | A | 94.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 89.4 Ų | 89.4 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A77 A78 A84 A85 | A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 3.35Å; A78-A81 WeakPolarHBondContact O-CB 3.27Å; A78-A81 PolarHBondContact O-N 3.44Å; A78-A81 VanDerWaalsContact O-N 3.11Å; A81-A84 PolarHBondContact O-N 3.42Å; A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 3.28Å |
| 82 | E | 93.2 | Very high | 92.8 | Very high | 146 Ų | 146 | 89.4 Ų | 89.4 | 68% | 0.682 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 175 | -172.3 | -179 | 171.7 | 0 | 0 | 111.7 | A78 A79 A84 A85 A86 | A78-E82 PolarHBondContact O-N 3.11Å; A79-E82 PolarHBondContact O-N 2.86Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.49Å; E82-A85 PolarHBondContact O-N 3.15Å; E82-A86 WeakPolarHBondContact O-CB 3.28Å; E82-A86 PolarHBondContact O-N 2.75Å |
| 83 | E | 93.7 | Very high | 91.8 | Very high | 106 Ų | 106 | 93.1 Ų | 93.1 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 175.8 | -170.9 | -167.5 | 157.3 | 0 | 0 | 111.9 | A79 A86 K87 | A79-E83 PolarHBondContact O-N 3.26Å; E83-A86 PolarHBondContact O-N 2.87Å; E83-K87 WeakPolarHBondContact O-CG 3.32Å; E83-K87 PolarHBondContact O-N 3.37Å; E83-K87 WeakPolarHBondContact OE1-CE 3.31Å; E83-K87 IonicContact OE1-NZ 2.63Å; E83-K87 PolarHBondContact OE1-NZ 3.01Å |
| 84 | A | 94.1 | Very high | 90.6 | Very high | 48 Ų | 48 | 94.1 Ų | 94.1 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R80 A81 E82 K87 Q88 | R80-A84 VanDerWaalsContact O-CB 3.32Å; R80-A84 WeakPolarHBondContact O-CB 3.46Å; R80-A84 PolarHBondContact O-N 2.94Å; A81-A84 PolarHBondContact O-N 3.42Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.49Å; A84-K87 PolarHBondContact O-N 2.97Å; A84-Q88 WeakPolarHBondContact O-CG 3.32Å; A84-Q88 PolarHBondContact O-N 3.06Å; A84-Q88 VanDerWaalsContact O-N 3.1Å |
| 85 | A | 92.2 | Very high | 89.1 | Confident | 55 Ų | 55 | 94.7 Ų | 94.7 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A81 E82 K87 Q88 E89 | A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 3.28Å; E82-A85 PolarHBondContact O-N 3.15Å; A85-K87 VanDerWaalsContact C-N 3.33Å; A85-K87 PolarHBondContact O-N 2.7Å; A85-Q88 PolarHBondContact O-N 2.83Å; A85-E89 PolarHBondContact O-N 2.91Å |
| 86 | A | 92.4 | Very high | 87.3 | Confident | 54 Ų | 54 | 92.3 Ų | 92.3 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E82 E83 E89 A90 | E82-A86 WeakPolarHBondContact O-CB 3.28Å; E82-A86 PolarHBondContact O-N 2.75Å; E83-A86 PolarHBondContact O-N 2.87Å; A86-E89 PolarHBondContact O-N 3.36Å; A86-A90 WeakPolarHBondContact O-CB 3.41Å; A86-A90 PolarHBondContact O-N 3.11Å |
| 87 | K | 92.3 | Very high | 85.4 | Confident | 111 Ų | 111 | 94.3 Ų | 94.3 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 174.4 | -74.5 | 176.1 | -174.4 | 171.3 | 0 | 112.3 | E83 A84 A85 E89 A90 E91 | E83-K87 WeakPolarHBondContact O-CG 3.32Å; E83-K87 PolarHBondContact O-N 3.37Å; E83-K87 WeakPolarHBondContact OE1-CE 3.31Å; E83-K87 IonicContact OE1-NZ 2.63Å; E83-K87 PolarHBondContact OE1-NZ 3.01Å; A84-K87 PolarHBondContact O-N 2.97Å; A85-K87 VanDerWaalsContact C-N 3.33Å; A85-K87 PolarHBondContact O-N 2.7Å; K87-E89 VanDerWaalsContact C-N 3.3Å; K87-E89 PolarHBondContact O-N 2.87Å; K87-A90 PolarHBondContact O-N 2.81Å; K87-E91 WeakPolarHBondContact O-CB 3.46Å; K87-E91 VanDerWaalsContact O-CG 3.32Å; K87-E91 WeakPolarHBondContact O-CG 3.35Å; K87-E91 PolarHBondContact O-N 3.44Å |
| 88 | Q | 86.9 | Confident | 83.4 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 64% | 0.64 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.8 | -37.7 | 176.8 | -74 | -176 | 15 | 0 | 0 | 112.1 | A84 A85 S92 | A84-Q88 WeakPolarHBondContact O-CG 3.32Å; A84-Q88 PolarHBondContact O-N 3.06Å; A84-Q88 VanDerWaalsContact O-N 3.1Å; A85-Q88 PolarHBondContact O-N 2.83Å; Q88-S92 WeakPolarHBondContact O-CB 3.37Å; Q88-S92 PolarHBondContact O-N 3.23Å |
| 89 | E | 84.8 | Confident | 81.4 | Confident | 144 Ų | 144 | 105.7 Ų | 105.7 | 67% | 0.673 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.3 | -43.7 | 175.7 | -169.4 | -178.6 | 168 | 0 | 0 | 111.6 | A85 A86 K87 S92 M93 | A85-E89 PolarHBondContact O-N 2.91Å; A86-E89 PolarHBondContact O-N 3.36Å; K87-E89 VanDerWaalsContact C-N 3.3Å; K87-E89 PolarHBondContact O-N 2.87Å; E89-S92 PolarHBondContact O-N 3.5Å; E89-M93 WeakPolarHBondContact O-CB 3.49Å; E89-M93 PolarHBondContact O-N 2.94Å |
| 90 | A | 85.9 | Confident | 79.4 | Confident | 59 Ų | 59 | 107.4 Ų | 107.4 | 49% | 0.488 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A86 K87 M93 E94 | A86-A90 WeakPolarHBondContact O-CB 3.41Å; A86-A90 PolarHBondContact O-N 3.11Å; K87-A90 PolarHBondContact O-N 2.81Å; A90-M93 PolarHBondContact O-N 3.3Å; A90-E94 WeakPolarHBondContact O-CB 3.1Å; A90-E94 PolarHBondContact O-N 3.06Å |
| 91 | E | 83.8 | Confident | 77.1 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 176.4 | -72.5 | 174.4 | -179.5 | 0 | 0 | 111.9 | K87 S95 | K87-E91 WeakPolarHBondContact O-CB 3.46Å; K87-E91 VanDerWaalsContact O-CG 3.32Å; K87-E91 WeakPolarHBondContact O-CG 3.35Å; K87-E91 PolarHBondContact O-N 3.44Å; E91-S95 WeakPolarHBondContact O-CB 3.48Å; E91-S95 PolarHBondContact O-N 3.47Å; E91-S95 PolarHBondContact O-OG 3.13Å |
| 92 | S | 78.8 | Confident | 74.7 | Confident | 63 Ų | 63 | 108 Ų | 108 | 44% | 0.441 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.6 | -48.2 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | Q88 E89 E94 S95 L96 | Q88-S92 WeakPolarHBondContact O-CB 3.37Å; Q88-S92 PolarHBondContact O-N 3.23Å; E89-S92 PolarHBondContact O-N 3.5Å; S92-E94 VanDerWaalsContact C-N 3.35Å; S92-E94 PolarHBondContact O-N 2.97Å; S92-S95 PolarHBondContact O-N 3.45Å; S92-S95 PolarHBondContact O-OG 3.49Å; S92-L96 WeakPolarHBondContact O-CD1 3.18Å; S92-L96 PolarHBondContact O-N 3.38Å |
| 93 | M | 76.8 | Confident | 72.2 | Confident | 134 Ų | 134 | 105 Ų | 105 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.4 | -37 | 178.9 | -169.5 | 173.4 | -174.9 | 0 | 0 | 112.4 | E89 A90 L96 S97 | E89-M93 WeakPolarHBondContact O-CB 3.49Å; E89-M93 PolarHBondContact O-N 2.94Å; A90-M93 PolarHBondContact O-N 3.3Å; M93-L96 PolarHBondContact O-N 3.38Å; M93-S97 PolarHBondContact O-N 2.93Å |
| 94 | E | 73.2 | Confident | 69.5 | Low | 121 Ų | 121 | 103.8 Ų | 103.8 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.1 | -40.5 | 174.1 | -173.9 | 168 | 172.6 | 0 | 0 | 111.5 | A90 S92 L96 S97 | A90-E94 WeakPolarHBondContact O-CB 3.1Å; A90-E94 PolarHBondContact O-N 3.06Å; S92-E94 VanDerWaalsContact C-N 3.35Å; S92-E94 PolarHBondContact O-N 2.97Å; E94-L96 PolarHBondContact O-N 2.93Å; E94-S97 PolarHBondContact O-N 3.17Å; E94-S97 PolarHBondContact O-OG 3.39Å |
| 95 | S | 64.9 | Low | 67 | Low | 68 Ų | 68 | 105 Ų | 105 | 48% | 0.476 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.6 | -35 | 176.2 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | E91 S92 S97 R98 | E91-S95 WeakPolarHBondContact O-CB 3.48Å; E91-S95 PolarHBondContact O-N 3.47Å; E91-S95 PolarHBondContact O-OG 3.13Å; S92-S95 PolarHBondContact O-N 3.45Å; S92-S95 PolarHBondContact O-OG 3.49Å; S95-S97 VanDerWaalsContact C-N 3.32Å; S95-S97 PolarHBondContact O-N 2.87Å; S95-R98 PolarHBondContact O-N 3.44Å |
| 96 | L | 61.6 | Low | 64.4 | Low | 123 Ų | 123 | 109.9 Ų | 109.9 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.6 | -25.9 | 175 | -80.4 | 152.4 | 0 | 0 | 0 | 113.4 | S92 M93 E94 R98 | S92-L96 WeakPolarHBondContact O-CD1 3.18Å; S92-L96 PolarHBondContact O-N 3.38Å; M93-L96 PolarHBondContact O-N 3.38Å; E94-L96 PolarHBondContact O-N 2.93Å; L96-R98 VanDerWaalsContact C-N 3.31Å; L96-R98 PolarHBondContact O-N 3.49Å |
| 97 | S | 56.8 | Low | 61.8 | Low | 85 Ų | 85 | 114.5 Ų | 114.5 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -11.7 | 179.9 | 74.3 | 0 | 0 | 0 | 0 | 114.5 | M93 E94 S95 | M93-S97 PolarHBondContact O-N 2.93Å; E94-S97 PolarHBondContact O-N 3.17Å; E94-S97 PolarHBondContact O-OG 3.39Å; S95-S97 VanDerWaalsContact C-N 3.32Å; S95-S97 PolarHBondContact O-N 2.87Å |
| 98 | R | 56.2 | Low | 59.2 | Low | 201 Ų | 201 | 117.9 Ų | 117.9 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -14 | 177.8 | -86.9 | -178.7 | 175.4 | 150.5 | 5.4 | 114.7 | S95 L96 | S95-R98 PolarHBondContact O-N 3.44Å; L96-R98 VanDerWaalsContact C-N 3.31Å; L96-R98 PolarHBondContact O-N 3.49Å |
| 99 | D | 54 | Low | 57 | Low | 146 Ų | 146 | 123 Ų | 123 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -112.2 | 13.3 | -171.2 | -70.8 | -23.1 | 0 | 0 | 0 | 115 | ||
| 100 | A | 55 | Low | 54.5 | Low | 93 Ų | 93 | 122.1 Ų | 122.1 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -108.7 | 61.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 101 | D | 47.2 | Very low | 52.1 | Low | 171 Ų | 171 | 123.6 Ų | 123.6 | 91% | 0.914 | 74% | 0.74 | S | S | * | * | trans | -108.9 | 87.7 | 155.9 | -172.1 | 38.8 | 0 | 0 | 0 | 108.3 | ||||
| 102 | G | 45.1 | Very low | 49.8 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 175.6 | 68.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 103 | G | 40.7 | Very low | 47.7 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | 63.8 | 111.9 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 104 | G | 37.6 | Very low | 45.9 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | 97.2 | 102.9 | 115 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 105 | G | 40.4 | Very low | 44.3 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 67 | 157.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 106 | N | 37.2 | Very low | 43.2 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | cis | -154.2 | 154.8 | 16.7 | -31.6 | -44.6 | 0 | 0 | 0 | 108 | ||||
| 107 | N | 37.9 | Very low | 43 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -54.4 | 147.2 | 169.9 | -57.2 | -81.1 | 0 | 0 | 0 | 113.7 | ||||
| 108 | L | 39 | Very low | 42.8 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -147.4 | 136.1 | 139.1 | -126.6 | 82.4 | 0 | 0 | 0 | 110.8 | ||||
| 109 | R | 39.2 | Very low | 42.8 | Very low | 243 Ų | 243 | 131.6 Ų | 131.6 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -76.9 | 151.8 | -169.7 | -61.3 | 168.8 | 167.1 | 176.3 | -6.3 | 112.3 | ||||
| 110 | S | 33.1 | Very low | 43 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -147.7 | 118.3 | 142.7 | -165.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 111 | A | 36 | Very low | 43 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -134.8 | 153 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 112 | V | 36.2 | Very low | 43.5 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | 98.5 | 126.7 | 177.7 | 169.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 113 | E | 34.5 | Very low | 44.1 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 66% | 0.659 | 80% | 0.796 | S | S | * | * | cis | -177.3 | 115 | -8.5 | -177.4 | 147.6 | 116.8 | 0 | 0 | 104.6 | Q115 | E113-Q115 HydrophobicContact CG-CG 3.72Å; E113-Q115 PolarHBondContact OE1-NE2 3.25Å | ||
| 114 | D | 37.6 | Very low | 44.9 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -106 | 102.8 | 170.7 | -167.5 | 47 | 0 | 0 | 0 | 106.4 | D116 | D114-D116 PolarHBondContact O-N 3.48Š| ||
| 115 | Q | 40.8 | Very low | 46.1 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | trans | -92.8 | 89.7 | 178.8 | -75.4 | -95.9 | 25.4 | 0 | 0 | 108.4 | E113 | E113-Q115 HydrophobicContact CG-CG 3.72Å; E113-Q115 PolarHBondContact OE1-NE2 3.25Å | ||
| 116 | D | 41.2 | Very low | 46.8 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -85.5 | 110.6 | 170.2 | -157 | 16.5 | 0 | 0 | 0 | 108.8 | D114 | D114-D116 PolarHBondContact O-N 3.48Š| ||
| 117 | L | 57 | Low | 48 | Very low | 143 Ų | 143 | 138 Ų | 138 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 133.8 | 174.7 | -71.4 | 170.7 | 0 | 0 | 0 | 109.1 | ||
| 118 | P | 53.5 | Low | 49 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.3 | 178.5 | 27 | -33 | 0 | 0 | 0 | 111.1 | ||
| 119 | P | 54.7 | Low | 50.1 | Low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 152 | 175.4 | 26.8 | -32.7 | 0 | 0 | 0 | 111.1 | A121 | P119-A121 PolarHBondContact O-N 2.95Š|
| 120 | P | 58.2 | Low | 51.4 | Low | 118 Ų | 118 | 123.8 Ų | 123.8 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 132.7 | -176.1 | 25.6 | -33.1 | 0 | 0 | 0 | 111.3 | L122 | P120-L122 PolarHBondContact O-N 2.71Å; P120-L122 VanDerWaalsContact O-N 3.11Å |
| 121 | A | 55.7 | Low | 52.7 | Low | 88 Ų | 88 | 125.3 Ų | 125.3 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -58 | 114.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | P119 N123 | P119-A121 PolarHBondContact O-N 2.95Å; A121-N123 PolarHBondContact O-N 3.03Å | ||
| 122 | L | 58.9 | Low | 53.9 | Low | 166 Ų | 166 | 126.2 Ų | 126.2 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | -75.2 | 102.8 | 169.9 | -69.8 | 170.8 | 0 | 0 | 0 | 108.3 | P120 P124 | P120-L122 PolarHBondContact O-N 2.71Å; P120-L122 VanDerWaalsContact O-N 3.11Å; L122-P124 WeakPolarHBondContact O-CD 3.41Å | ||
| 123 | N | 57.1 | Low | 55.1 | Low | 142 Ų | 142 | 121.6 Ų | 121.6 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -64.3 | 120.5 | 170.4 | -66.5 | -52.9 | 0 | 0 | 0 | 108.7 | A121 V125 | A121-N123 PolarHBondContact O-N 3.03Å; N123-V125 PolarHBondContact O-N 3.44Å; N123-V125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | P | 58.2 | Low | 56.6 | Low | 118 Ų | 118 | 120.7 Ų | 120.7 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | trans | -65.6 | 120.8 | 176.9 | 25.8 | -31.9 | 0 | 0 | 0 | 108.8 | L122 L126 | L122-P124 WeakPolarHBondContact O-CD 3.41Å; P124-L126 PolarHBondContact O-N 3.16Å | ||
| 125 | V | 62.8 | Low | 58.2 | Low | 138 Ų | 138 | 120.8 Ų | 120.8 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | trans | -62 | 111.2 | 169.8 | 176.6 | 0 | 0 | 0 | 0 | 106.7 | N123 A127 | N123-V125 PolarHBondContact O-N 3.44Å; N123-V125 VanDerWaalsContact O-N 3.15Å; V125-A127 PolarHBondContact O-N 2.93Å | ||
| 126 | L | 54.2 | Low | 59.5 | Low | 162 Ų | 162 | 118 Ų | 118 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | -59 | 101.4 | 172.6 | -75.2 | 166.3 | 0 | 0 | 0 | 108.1 | P124 G128 | P124-L126 PolarHBondContact O-N 3.16Å; L126-G128 PolarHBondContact O-N 2.98Å | ||
| 127 | A | 61.6 | Low | 60.9 | Low | 78 Ų | 78 | 116.8 Ų | 116.8 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | trans | -62.2 | 107.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | V125 L129 | V125-A127 PolarHBondContact O-N 2.93Å; A127-L129 PolarHBondContact O-N 3.32Å | ||
| 128 | G | 60.7 | Low | 61.4 | Low | 82 Ų | 82 | 117.2 Ų | 117.2 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | -69 | 71.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L126 S130 | L126-G128 PolarHBondContact O-N 2.98Å; G128-S130 PolarHBondContact O-N 2.86Å | ||
| 129 | L | 60.5 | Low | 62.2 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | trans | -78.1 | 111.6 | 171.9 | -69.7 | 172.8 | 0 | 0 | 0 | 108.4 | A127 | A127-L129 PolarHBondContact O-N 3.32Š| ||
| 130 | S | 66.7 | Low | 62.5 | Low | 72 Ų | 72 | 115.7 Ų | 115.7 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | trans | -69.3 | 143.2 | 169.3 | 67.2 | 0 | 0 | 0 | 0 | 109.4 | G128 N132 A133 | G128-S130 PolarHBondContact O-N 2.86Å; S130-N132 PolarHBondContact O-N 3.47Å; S130-A133 WeakPolarHBondContact O-CB 3.42Å; S130-A133 PolarHBondContact O-N 3.15Å; S130-A133 WeakPolarHBondContact OG-CB 3.35Å | ||
| 131 | H | 60.8 | Low | 62.6 | Low | 158 Ų | 158 | 115.9 Ų | 115.9 | 73% | 0.731 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -7.1 | -170.5 | 56.4 | -83.1 | 0 | 0 | 0 | 115.6 | ||
| 132 | N | 60.8 | Low | 62.5 | Low | 108 Ų | 108 | 123.2 Ų | 123.2 | 58% | 0.578 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -8.2 | 176.3 | -61.4 | -43.1 | 0 | 0 | 0 | 113.6 | S130 I134 T136 | S130-N132 PolarHBondContact O-N 3.47Å; N132-I134 VanDerWaalsContact C-N 3.34Å; N132-T136 PolarHBondContact O-OG1 3.42Å |
| 133 | A | 61.2 | Low | 62.4 | Low | 35 Ų | 35 | 123.4 Ų | 123.4 | 29% | 0.289 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.9 | -15.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S130 T136 | S130-A133 WeakPolarHBondContact O-CB 3.42Å; S130-A133 PolarHBondContact O-N 3.15Å; S130-A133 WeakPolarHBondContact OG-CB 3.35Å; A133-T136 WeakPolarHBondContact CA-OG1 3.38Å; A133-T136 PolarHBondContact O-OG1 2.99Å |
| 134 | I | 66.1 | Low | 62 | Low | 122 Ų | 122 | 119.1 Ų | 119.1 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -76.5 | -31.8 | -177.5 | -57.9 | 172.7 | 0 | 0 | 0 | 111.5 | N132 | N132-I134 VanDerWaalsContact C-N 3.34Š|
| 135 | L | 71.4 | Confident | 61.4 | Low | 160 Ų | 160 | 120 Ų | 120 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -93.4 | -1.4 | -178.3 | -60.3 | 179.8 | 0 | 0 | 0 | 113.2 | ||
| 136 | T | 68.8 | Low | 60.4 | Low | 84 Ų | 84 | 125.1 Ų | 125.1 | 52% | 0.515 | 72% | 0.717 | S | S | . | * | S | Bend | trans | -101.5 | 116.9 | 176.6 | 21.2 | 0 | 0 | 0 | 0 | 109 | N132 A133 L138 | N132-T136 PolarHBondContact O-OG1 3.42Å; A133-T136 WeakPolarHBondContact CA-OG1 3.38Å; A133-T136 PolarHBondContact O-OG1 2.99Å; T136-L138 PolarHBondContact O-N 3.14Å; T136-L138 VanDerWaalsContact O-N 3.11Å |
| 137 | P | 70.5 | Confident | 60 | Low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119.7 | 176.7 | 25.3 | -32.3 | 0 | 0 | 0 | 109 | ||
| 138 | L | 68.1 | Low | 58.9 | Low | 151 Ų | 151 | 128.1 Ų | 128.1 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 133.8 | 173.5 | -69 | 172.5 | 0 | 0 | 0 | 109 | T136 A140 | T136-L138 PolarHBondContact O-N 3.14Å; T136-L138 VanDerWaalsContact O-N 3.11Å; L138-A140 PolarHBondContact O-N 2.75Å |
| 139 | P | 68.8 | Low | 57.8 | Low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59 | 133.4 | 173.3 | -21.2 | 31.6 | 0 | 0 | 0 | 110.6 | ||
| 140 | A | 61.1 | Low | 57.2 | Low | 83 Ų | 83 | 134.8 Ų | 134.8 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 133.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L138 R142 | L138-A140 PolarHBondContact O-N 2.75Å; A140-R142 PolarHBondContact O-N 3.03Å |
| 141 | P | 61.7 | Low | 56 | Low | 122 Ų | 122 | 136.3 Ų | 136.3 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -56.4 | 112.5 | 176.9 | -23 | 32.3 | 0 | 0 | 0 | 109.9 | L143 | P141-L143 PolarHBondContact O-N 2.97Š| ||
| 142 | R | 53.6 | Low | 55.1 | Low | 242 Ų | 242 | 134.7 Ų | 134.7 | 91% | 0.913 | 74% | 0.744 | S | S | * | * | trans | -75.8 | 97.2 | 173.8 | -66.5 | -160.3 | 160 | -146.6 | -7.6 | 107.8 | A140 G144 | A140-R142 PolarHBondContact O-N 3.03Å; R142-G144 VanDerWaalsContact C-N 3.35Å; R142-G144 PolarHBondContact O-N 3.42Å | ||
| 143 | L | 55.2 | Low | 54.2 | Low | 171 Ų | 171 | 135.6 Ų | 135.6 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | trans | -57.3 | 102.3 | 163.9 | -65.8 | 172.8 | 0 | 0 | 0 | 107.1 | P141 | P141-L143 PolarHBondContact O-N 2.97Š| ||
| 144 | G | 50.2 | Low | 53.7 | Low | 52 Ų | 52 | 140.8 Ų | 140.8 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | trans | -61.1 | 162.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | R142 R146 | R142-G144 VanDerWaalsContact C-N 3.35Å; R142-G144 PolarHBondContact O-N 3.42Å; G144-R146 PolarHBondContact O-N 3.29Å | ||
| 145 | P | 45.7 | Very low | 53.2 | Low | 136 Ų | 136 | 139 Ų | 139 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -64.9 | 106.9 | -174.5 | 25.3 | -31 | 0 | 0 | 0 | 110 | ||||
| 146 | R | 41.3 | Very low | 52.7 | Low | 245 Ų | 245 | 140.4 Ų | 140.4 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -76.4 | 134.1 | 163.4 | -102.6 | -155.5 | 157 | 178.8 | -3.6 | 109 | G144 S148 | G144-R146 PolarHBondContact O-N 3.29Å; R146-S148 PolarHBondContact O-N 3.49Å | ||
| 147 | K | 44.9 | Very low | 52.2 | Low | 203 Ų | 203 | 142.1 Ų | 142.1 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -50.1 | 131.2 | 177.3 | -67.6 | 175.4 | 176.7 | 179.5 | 0 | 110.5 | Q149 | K147-Q149 PolarHBondContact O-N 3.12Š| ||
| 148 | S | 38.4 | Very low | 51.9 | Low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -42.2 | 116.1 | 165.9 | 44 | 0 | 0 | 0 | 0 | 112.3 | R146 | R146-S148 PolarHBondContact O-N 3.49Š| ||
| 149 | Q | 38.5 | Very low | 52 | Low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -94.3 | 117.2 | 135.7 | -86.1 | -155.5 | -68.8 | 0 | 0 | 106.5 | K147 S151 | K147-Q149 PolarHBondContact O-N 3.12Å; Q149-S151 PolarHBondContact O-N 2.87Å | ||
| 150 | D | 47.9 | Very low | 52 | Low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | -58.1 | 100.4 | 170.9 | -71.4 | -50.9 | 0 | 0 | 0 | 109.6 | ||||
| 151 | S | 41.6 | Very low | 52.6 | Low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | -146.7 | 123.9 | 148.8 | 56.7 | 0 | 0 | 0 | 0 | 106.2 | Q149 | Q149-S151 PolarHBondContact O-N 2.87Š| ||
| 152 | T | 41.1 | Very low | 53.2 | Low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | trans | -14 | 138.3 | 175.8 | -40.6 | 0 | 0 | 0 | 0 | 115.7 | Q154 | T152-Q154 PolarHBondContact O-N 3.29Š| ||
| 153 | P | 41.4 | Very low | 54.2 | Low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -67.7 | 84.3 | 173.1 | 30.2 | -33.8 | 0 | 0 | 0 | 109.4 | ||||
| 154 | Q | 52.2 | Low | 54.9 | Low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | trans | -66.8 | 125.7 | 153.5 | -106.1 | -84.5 | -38.5 | 0 | 0 | 105.1 | T152 Q156 | T152-Q154 PolarHBondContact O-N 3.29Å; Q154-Q156 PolarHBondContact O-N 3.46Å; Q154-Q156 VanDerWaalsContact O-N 3.12Å | ||
| 155 | P | 54.7 | Low | 55.6 | Low | 85 Ų | 85 | 138.1 Ų | 138.1 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | trans | -52.4 | 127.7 | 161 | 25.2 | -30.5 | 0 | 0 | 0 | 105 | N157 | P155-N157 PolarHBondContact O-N 3.44Š| ||
| 156 | Q | 61.2 | Low | 56.9 | Low | 189 Ų | 189 | 138.8 Ų | 138.8 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -63.7 | 83.4 | 167 | -69.2 | -178 | -18.9 | 0 | 0 | 105.4 | Q154 L158 | Q154-Q156 PolarHBondContact O-N 3.46Å; Q154-Q156 VanDerWaalsContact O-N 3.12Å; Q156-L158 VanDerWaalsContact C-N 3.31Å; Q156-L158 PolarHBondContact O-N 2.94Å | ||
| 157 | N | 57.6 | Low | 58.4 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 64% | 0.642 | 69% | 0.685 | S | S | * | * | trans | -57.4 | 107.4 | 165.1 | -87.5 | -51 | 0 | 0 | 0 | 103.1 | P155 N159 | P155-N157 PolarHBondContact O-N 3.44Å; N157-N159 VanDerWaalsContact C-N 3.28Å; N157-N159 PolarHBondContact O-N 3.32Å | ||
| 158 | L | 65.3 | Low | 60.1 | Low | 139 Ų | 139 | 126.7 Ų | 126.7 | 73% | 0.728 | 66% | 0.663 | S | S | * | * | trans | -49 | 107 | 163.9 | -65 | 171 | 0 | 0 | 0 | 104.8 | Q156 L160 | Q156-L158 VanDerWaalsContact C-N 3.31Å; Q156-L158 PolarHBondContact O-N 2.94Å; L158-L160 PolarHBondContact O-N 3.08Å | ||
| 159 | N | 70.8 | Confident | 62 | Low | 96 Ų | 96 | 126.3 Ų | 126.3 | 51% | 0.513 | 66% | 0.658 | S | S | . | * | trans | -70.9 | 105 | -179.3 | -175.9 | 9.3 | 0 | 0 | 0 | 105.2 | N157 A161 D162 | N157-N159 VanDerWaalsContact C-N 3.28Å; N157-N159 PolarHBondContact O-N 3.32Å; N159-A161 PolarHBondContact O-N 2.93Å; N159-A161 VanDerWaalsContact O-N 3.16Å; N159-A161 VanDerWaalsContact OD1-CB 3.28Å; N159-A161 WeakPolarHBondContact OD1-CB 3.44Å; N159-A161 PolarHBondContact OD1-N 3Å; N159-D162 VanDerWaalsContact O-CB 3.26Å; N159-D162 WeakPolarHBondContact O-CB 3.45Å; N159-D162 PolarHBondContact O-N 3.12Å | ||
| 160 | L | 68.1 | Low | 63.9 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -59.7 | -25.9 | 179 | -62.3 | 173.3 | 0 | 0 | 0 | 110.8 | L158 D162 F163 E164 | L158-L160 PolarHBondContact O-N 3.08Å; L160-D162 PolarHBondContact O-N 2.9Å; L160-D162 VanDerWaalsContact O-N 3.14Å; L160-F163 PolarHBondContact O-N 3.08Å; L160-E164 PolarHBondContact O-N 3.48Å; L160-E164 VanDerWaalsContact O-N 3.16Å |
| 161 | A | 73.6 | Confident | 65.2 | Low | 35 Ų | 35 | 121.9 Ų | 121.9 | 29% | 0.289 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -67.3 | -8.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | N159 R165 | N159-A161 PolarHBondContact O-N 2.93Å; N159-A161 VanDerWaalsContact O-N 3.16Å; N159-A161 VanDerWaalsContact OD1-CB 3.28Å; N159-A161 WeakPolarHBondContact OD1-CB 3.44Å; N159-A161 PolarHBondContact OD1-N 3Å; A161-R165 WeakPolarHBondContact O-CD 3.23Å; A161-R165 WeakPolarHBondContact O-CG 3.35Å; A161-R165 PolarHBondContact O-NE 3.49Å |
| 162 | D | 74.4 | Confident | 66.6 | Low | 96 Ų | 96 | 124.2 Ų | 124.2 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -80.6 | -25.1 | 170.2 | -130 | 23.2 | 0 | 0 | 0 | 111.8 | N159 L160 R165 | N159-D162 VanDerWaalsContact O-CB 3.26Å; N159-D162 WeakPolarHBondContact O-CB 3.45Å; N159-D162 PolarHBondContact O-N 3.12Å; L160-D162 PolarHBondContact O-N 2.9Å; L160-D162 VanDerWaalsContact O-N 3.14Å; D162-R165 IonicContact OD1-CZ 2.85Å; D162-R165 IonicContact OD1-NH2 3.89Å; D162-R165 PolarHBondContact OD1-NH2 3.31Å |
| 163 | F | 73.3 | Confident | 68 | Low | 144 Ų | 144 | 124 Ų | 124 | 63% | 0.632 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -25.6 | 175.9 | -64.3 | -86 | 0 | 0 | 0 | 112.8 | L160 | L160-F163 PolarHBondContact O-N 3.08Š|
| 164 | E | 70.9 | Confident | 69.7 | Low | 164 Ų | 164 | 125.7 Ų | 125.7 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -83.4 | -16.6 | 177.6 | -67.5 | 177.8 | 164.2 | 0 | 0 | 113.5 | L160 | L160-E164 PolarHBondContact O-N 3.48Å; L160-E164 VanDerWaalsContact O-N 3.16Å |
| 165 | R | 65.4 | Low | 70.7 | Confident | 180 Ų | 180 | 126.5 Ų | 126.5 | 68% | 0.679 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -92.1 | -7.1 | 174.5 | -66.7 | -177.6 | -54 | 148.6 | 7.2 | 113.1 | A161 D162 E167 | A161-R165 WeakPolarHBondContact O-CD 3.23Å; A161-R165 WeakPolarHBondContact O-CG 3.35Å; A161-R165 PolarHBondContact O-NE 3.49Å; D162-R165 IonicContact OD1-CZ 2.85Å; D162-R165 IonicContact OD1-NH2 3.89Å; D162-R165 PolarHBondContact OD1-NH2 3.31Å; R165-E167 VanDerWaalsContact C-N 3.28Å; R165-E167 PolarHBondContact O-N 3.22Å |
| 166 | E | 71.6 | Confident | 71.6 | Confident | 150 Ų | 150 | 132.1 Ų | 132.1 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -77.7 | 91.1 | 169.6 | -167.5 | 140.2 | -128.7 | 0 | 0 | 106.8 | D168 | E166-D168 PolarHBondContact O-N 3.43Š|
| 167 | E | 73.4 | Confident | 72.4 | Confident | 117 Ų | 117 | 129.8 Ų | 129.8 | 55% | 0.547 | 64% | 0.644 | S | S | . | * | trans | -48.5 | 130.8 | 174.1 | -172.1 | 154.4 | -136.4 | 0 | 0 | 109.4 | R165 P169 D171 K172 | R165-E167 VanDerWaalsContact C-N 3.28Å; R165-E167 PolarHBondContact O-N 3.22Å; E167-P169 VanDerWaalsContact O-N 3.1Å; E167-D171 HydrophobicContact CG-CB 4.49Å; E167-K172 WeakPolarHBondContact OE2-CE 3.16Å; E167-K172 IonicContact OE2-NZ 2.77Å; E167-K172 PolarHBondContact OE2-NZ 3.02Å | ||
| 168 | D | 81.4 | Confident | 73.5 | Confident | 78 Ų | 78 | 128.2 Ų | 128.2 | 42% | 0.417 | 64% | 0.635 | S | S | . | * | trans | -48.5 | 121.8 | -172.1 | -177.2 | -15.7 | 0 | 0 | 0 | 108.7 | E166 F170 D171 | E166-D168 PolarHBondContact O-N 3.43Å; D168-F170 PolarHBondContact O-N 3.47Å; D168-F170 WeakPolarHBondContact OD1-CB 3.32Å; D168-F170 VanDerWaalsContact OD1-CD2 3.24Å; D168-F170 WeakPolarHBondContact OD1-CD2 3.34Å; D168-F170 PolarHBondContact OD1-N 2.89Å; D168-D171 HydrophobicContact CB-CB 3.99Å; D168-D171 WeakPolarHBondContact O-CB 3.44Å; D168-D171 PolarHBondContact O-N 3Å | ||
| 169 | P | 78.7 | Confident | 74.4 | Confident | 93 Ų | 93 | 125.7 Ų | 125.7 | 60% | 0.604 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -15.3 | 179.2 | 23.9 | -34.6 | 0 | 0 | 0 | 112.6 | E167 | E167-P169 VanDerWaalsContact O-N 3.1Š|
| 170 | F | 77 | Confident | 75.2 | Confident | 150 Ų | 150 | 126.6 Ų | 126.6 | 66% | 0.658 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -13.8 | 174.6 | -56.1 | -75.6 | 0 | 0 | 0 | 114.4 | D168 K172 L173 | D168-F170 PolarHBondContact O-N 3.47Å; D168-F170 WeakPolarHBondContact OD1-CB 3.32Å; D168-F170 VanDerWaalsContact OD1-CD2 3.24Å; D168-F170 WeakPolarHBondContact OD1-CD2 3.34Å; D168-F170 PolarHBondContact OD1-N 2.89Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 2.77Å; F170-L173 WeakPolarHBondContact O-CA 3.46Å; F170-L173 VanDerWaalsContact O-CB 3.23Å; F170-L173 WeakPolarHBondContact O-CB 3.13Å; F170-L173 PolarHBondContact O-N 3.43Å |
| 171 | D | 74.6 | Confident | 76.2 | Confident | 102 Ų | 102 | 127.3 Ų | 127.3 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -65.8 | -33.6 | 177.4 | -111.8 | -3.2 | 0 | 0 | 0 | 111.4 | E167 D168 L173 | E167-D171 HydrophobicContact CG-CB 4.49Å; D168-D171 HydrophobicContact CB-CB 3.99Å; D168-D171 WeakPolarHBondContact O-CB 3.44Å; D168-D171 PolarHBondContact O-N 3Å; D171-L173 PolarHBondContact O-N 3.21Å |
| 172 | K | 71.5 | Confident | 76.8 | Confident | 154 Ų | 154 | 130.6 Ų | 130.6 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -80.2 | -1.2 | 175 | -62.8 | 177.6 | -169.7 | -179.6 | 0 | 112.8 | E167 F170 | E167-K172 WeakPolarHBondContact OE2-CE 3.16Å; E167-K172 IonicContact OE2-NZ 2.77Å; E167-K172 PolarHBondContact OE2-NZ 3.02Å; F170-K172 VanDerWaalsContact C-N 3.28Å; F170-K172 PolarHBondContact O-N 2.77Å |
| 173 | L | 71.8 | Confident | 77.4 | Confident | 118 Ų | 118 | 130.3 Ų | 130.3 | 62% | 0.618 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -98.3 | 13 | 179.5 | -120.8 | 93.1 | 0 | 0 | 0 | 112.6 | F170 D171 L175 | F170-L173 WeakPolarHBondContact O-CA 3.46Å; F170-L173 VanDerWaalsContact O-CB 3.23Å; F170-L173 WeakPolarHBondContact O-CB 3.13Å; F170-L173 PolarHBondContact O-N 3.43Å; D171-L173 PolarHBondContact O-N 3.21Å; L173-L175 PolarHBondContact O-N 3.32Å |
| 174 | E | 77.1 | Confident | 78.1 | Confident | 163 Ų | 163 | 128.3 Ų | 128.3 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | trans | -51.8 | 114.2 | 164.7 | 58 | 173.6 | -167.5 | 0 | 0 | 108.9 | K176 | E174-K176 PolarHBondContact O-N 3.1Š| ||
| 175 | L | 72.1 | Confident | 78.8 | Confident | 162 Ų | 162 | 126.2 Ų | 126.2 | 85% | 0.848 | 61% | 0.61 | S | S | * | * | trans | -61.5 | 109.7 | 178.2 | -77.5 | 148.1 | 0 | 0 | 0 | 106.6 | L173 T177 | L173-L175 PolarHBondContact O-N 3.32Å; L175-T177 PolarHBondContact O-N 2.93Å | ||
| 176 | K | 73.3 | Confident | 79.7 | Confident | 202 Ų | 202 | 122.2 Ų | 122.2 | 88% | 0.878 | 60% | 0.602 | S | S | * | * | trans | -52.9 | 110.5 | 165.6 | -73.2 | 178.1 | 176.9 | 175.2 | 0 | 106.6 | E174 L178 | E174-K176 PolarHBondContact O-N 3.1Å; K176-L178 PolarHBondContact O-N 3.08Å | ||
| 177 | T | 78.9 | Confident | 80.2 | Confident | 141 Ų | 141 | 119.7 Ų | 119.7 | 87% | 0.865 | 59% | 0.593 | S | S | * | * | trans | -69 | 105.4 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 105.8 | L175 | L175-T177 PolarHBondContact O-N 2.93Š| ||
| 178 | L | 81.3 | Confident | 80.5 | Confident | 87 Ų | 87 | 120.2 Ų | 120.2 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | trans | -71.7 | 138.2 | 175.5 | 176.3 | 147.1 | 0 | 0 | 0 | 108.2 | K176 D180 E183 | K176-L178 PolarHBondContact O-N 3.08Å; L178-D180 PolarHBondContact O-N 3.31Å; L178-E183 HydrophobicContact CD1-CB 4.16Å; L178-E183 HydrophobicContact CD1-CG 4.28Å; L178-E183 WeakPolarHBondContact CD1-OE2 3.42Å; L178-E183 HydrophobicContact CD2-CB 3.65Å; L178-E183 HydrophobicContact CD2-CG 4.38Å; L178-E183 WeakPolarHBondContact CD2-OE2 3.42Å; L178-E183 HydrophobicContact CG-CB 4.25Å | ||
| 179 | D | 82.5 | Confident | 80 | Confident | 85 Ų | 85 | 123.2 Ų | 123.2 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | trans | -78.7 | 100.7 | 169.3 | 179 | 5.7 | 0 | 0 | 0 | 108.5 | K181 E182 E183 | D179-K181 PolarHBondContact O-N 3.44Å; D179-K181 WeakPolarHBondContact OD1-CB 3.18Å; D179-K181 PolarHBondContact OD1-N 3.38Å; D179-E182 HydrophobicContact CB-CB 4.09Å; D179-E182 PolarHBondContact O-N 3.19Å; D179-E183 PolarHBondContact O-N 3.33Å; D179-E183 VanDerWaalsContact O-N 3.09Å | ||
| 180 | D | 89.4 | Confident | 79.4 | Confident | 116 Ų | 116 | 123.1 Ų | 123.1 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -49.4 | -34.4 | -180 | -67.2 | -24.2 | 0 | 0 | 0 | 111.4 | L178 L184 | L178-D180 PolarHBondContact O-N 3.31Å; D180-L184 VanDerWaalsContact O-CB 3.26Å; D180-L184 WeakPolarHBondContact O-CB 3.48Å; D180-L184 WeakPolarHBondContact O-CD1 3.37Å; D180-L184 WeakPolarHBondContact O-CG 3.34Å; D180-L184 PolarHBondContact O-N 3.33Å |
| 181 | K | 87.8 | Confident | 78.9 | Confident | 136 Ų | 136 | 123 Ų | 123 | 59% | 0.591 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.5 | -34.9 | -179 | -165.9 | -178.5 | 69.7 | -175 | 0 | 112.3 | D179 R185 | D179-K181 PolarHBondContact O-N 3.44Å; D179-K181 WeakPolarHBondContact OD1-CB 3.18Å; D179-K181 PolarHBondContact OD1-N 3.38Å; K181-R185 WeakPolarHBondContact O-CG 3.36Å; K181-R185 PolarHBondContact O-N 3.34Å |
| 182 | E | 85.8 | Confident | 77.8 | Confident | 105 Ų | 105 | 123.7 Ų | 123.7 | 49% | 0.491 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73 | -43 | 176.1 | -176 | 173.6 | -174.1 | 0 | 0 | 111.4 | D179 R185 N186 | D179-E182 HydrophobicContact CB-CB 4.09Å; D179-E182 PolarHBondContact O-N 3.19Å; E182-R185 PolarHBondContact O-N 3.25Å; E182-N186 PolarHBondContact O-N 3.3Å |
| 183 | E | 87.4 | Confident | 77.1 | Confident | 90 Ų | 90 | 125.1 Ų | 125.1 | 42% | 0.421 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.3 | -43.4 | 175.9 | -174.6 | -177.7 | -170.8 | 0 | 0 | 111.3 | L178 D179 R185 N186 I187 | L178-E183 HydrophobicContact CD1-CB 4.16Å; L178-E183 HydrophobicContact CD1-CG 4.28Å; L178-E183 WeakPolarHBondContact CD1-OE2 3.42Å; L178-E183 HydrophobicContact CD2-CB 3.65Å; L178-E183 HydrophobicContact CD2-CG 4.38Å; L178-E183 WeakPolarHBondContact CD2-OE2 3.42Å; L178-E183 HydrophobicContact CG-CB 4.25Å; D179-E183 PolarHBondContact O-N 3.33Å; D179-E183 VanDerWaalsContact O-N 3.09Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.94Å; E183-N186 WeakPolarHBondContact O-CB 3.32Å; E183-N186 PolarHBondContact O-N 2.91Å; E183-N186 VanDerWaalsContact O-N 3.08Å; E183-I187 HydrophobicContact CG-CD1 3.99Å; E183-I187 HydrophobicContact CG-CG1 4.47Å; E183-I187 WeakPolarHBondContact O-CG1 3.4Å; E183-I187 PolarHBondContact O-N 2.67Å |
| 184 | L | 88.1 | Confident | 75.8 | Confident | 102 Ų | 102 | 124.6 Ų | 124.6 | 53% | 0.534 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -60.3 | -37.3 | 174.7 | -73.1 | 172 | 0 | 0 | 0 | 112.1 | D180 I187 L188 | D180-L184 VanDerWaalsContact O-CB 3.26Å; D180-L184 WeakPolarHBondContact O-CB 3.48Å; D180-L184 WeakPolarHBondContact O-CD1 3.37Å; D180-L184 WeakPolarHBondContact O-CG 3.34Å; D180-L184 PolarHBondContact O-N 3.33Å; L184-I187 PolarHBondContact O-N 3.16Å; L184-L188 WeakPolarHBondContact O-CB 3.46Å; L184-L188 WeakPolarHBondContact O-CD1 3.45Å; L184-L188 VanDerWaalsContact O-CG 3.23Å; L184-L188 WeakPolarHBondContact O-CG 3.35Å; L184-L188 PolarHBondContact O-N 3.44Å |
| 185 | R | 86.1 | Confident | 74.2 | Confident | 119 Ų | 119 | 122.2 Ų | 122.2 | 45% | 0.449 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.7 | -41.4 | 173.1 | -78.5 | -162.9 | -63.3 | 110.3 | -3.9 | 112.1 | K181 E182 E183 I187 L188 Q189 | K181-R185 WeakPolarHBondContact O-CG 3.36Å; K181-R185 PolarHBondContact O-N 3.34Å; E182-R185 PolarHBondContact O-N 3.25Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.94Å; R185-I187 VanDerWaalsContact C-N 3.35Å; R185-L188 PolarHBondContact O-N 3.41Å; R185-Q189 VanDerWaalsContact O-CB 3.3Å; R185-Q189 WeakPolarHBondContact O-CB 3.04Å; R185-Q189 VanDerWaalsContact O-CG 3.24Å; R185-Q189 WeakPolarHBondContact O-CG 3.33Å; R185-Q189 PolarHBondContact O-N 3.38Å |
| 186 | N | 83.8 | Confident | 73 | Confident | 97 Ų | 97 | 120.7 Ų | 120.7 | 52% | 0.519 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -62 | -42.6 | 175.4 | -97.5 | -10.1 | 0 | 0 | 0 | 111.7 | E182 E183 Q189 S190 | E182-N186 PolarHBondContact O-N 3.3Å; E183-N186 WeakPolarHBondContact O-CB 3.32Å; E183-N186 PolarHBondContact O-N 2.91Å; E183-N186 VanDerWaalsContact O-N 3.08Å; N186-Q189 PolarHBondContact O-N 2.99Å; N186-S190 VanDerWaalsContact O-CB 3.27Å; N186-S190 WeakPolarHBondContact O-CB 3.47Å; N186-S190 PolarHBondContact O-N 2.92Å; N186-S190 PolarHBondContact O-OG 3.35Å |
| 187 | I | 83.3 | Confident | 71.1 | Confident | 97 Ų | 97 | 116.7 Ų | 116.7 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.6 | -44.7 | 177.3 | -65.2 | 165.9 | 0 | 0 | 0 | 110.9 | E183 L184 R185 Q189 S190 | E183-I187 HydrophobicContact CG-CD1 3.99Å; E183-I187 HydrophobicContact CG-CG1 4.47Å; E183-I187 WeakPolarHBondContact O-CG1 3.4Å; E183-I187 PolarHBondContact O-N 2.67Å; L184-I187 PolarHBondContact O-N 3.16Å; R185-I187 VanDerWaalsContact C-N 3.35Å; I187-Q189 VanDerWaalsContact C-N 3.33Å; I187-Q189 PolarHBondContact O-N 3.11Å; I187-S190 WeakPolarHBondContact CA-OG 3.41Å; I187-S190 PolarHBondContact O-N 2.63Å; I187-S190 PolarHBondContact O-OG 3.01Å |
| 188 | L | 78.4 | Confident | 69.2 | Low | 128 Ų | 128 | 118.1 Ų | 118.1 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.1 | -32 | 178.8 | -73.3 | 165.3 | 0 | 0 | 0 | 112.8 | L184 R185 | L184-L188 WeakPolarHBondContact O-CB 3.46Å; L184-L188 WeakPolarHBondContact O-CD1 3.45Å; L184-L188 VanDerWaalsContact O-CG 3.23Å; L184-L188 WeakPolarHBondContact O-CG 3.35Å; L184-L188 PolarHBondContact O-N 3.44Å; R185-L188 PolarHBondContact O-N 3.41Å |
| 189 | Q | 71.1 | Confident | 67.1 | Low | 140 Ų | 140 | 119.6 Ų | 119.6 | 65% | 0.654 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85.3 | -23.8 | 178.7 | -71.2 | 178.9 | 5.9 | 0 | 0 | 113.8 | R185 N186 I187 Q191 | R185-Q189 VanDerWaalsContact O-CB 3.3Å; R185-Q189 WeakPolarHBondContact O-CB 3.04Å; R185-Q189 VanDerWaalsContact O-CG 3.24Å; R185-Q189 WeakPolarHBondContact O-CG 3.33Å; R185-Q189 PolarHBondContact O-N 3.38Å; N186-Q189 PolarHBondContact O-N 2.99Å; I187-Q189 VanDerWaalsContact C-N 3.33Å; I187-Q189 PolarHBondContact O-N 3.11Å; Q189-Q191 VanDerWaalsContact C-N 3.28Å |
| 190 | S | 65.5 | Low | 65.1 | Low | 91 Ų | 91 | 121.2 Ų | 121.2 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -84.7 | 0.4 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | N186 I187 | N186-S190 VanDerWaalsContact O-CB 3.27Å; N186-S190 WeakPolarHBondContact O-CB 3.47Å; N186-S190 PolarHBondContact O-N 2.92Å; N186-S190 PolarHBondContact O-OG 3.35Å; I187-S190 WeakPolarHBondContact CA-OG 3.41Å; I187-S190 PolarHBondContact O-N 2.63Å; I187-S190 PolarHBondContact O-OG 3.01Å |
| 191 | Q | 66.9 | Low | 62.9 | Low | 147 Ų | 147 | 121 Ų | 121 | 69% | 0.687 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -74.3 | 123 | 166.3 | -159.9 | 177.5 | 12.6 | 0 | 0 | 109.7 | Q189 Q193 | Q189-Q191 VanDerWaalsContact C-N 3.28Å; Q191-Q193 PolarHBondContact O-N 3.31Å |
| 192 | P | 51.4 | Low | 60.5 | Low | 118 Ų | 118 | 122.9 Ų | 122.9 | 77% | 0.766 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 117.1 | 178.8 | -19 | 29.9 | 0 | 0 | 0 | 110.2 | ||
| 193 | Q | 57.2 | Low | 57.9 | Low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.6 | 167.8 | -121.4 | -178.6 | -46.3 | 0 | 0 | 108.8 | Q191 | Q191-Q193 PolarHBondContact O-N 3.31Š|
| 194 | P | 44.9 | Very low | 55.2 | Low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 147.3 | 164.9 | 26.8 | -30.4 | 0 | 0 | 0 | 109.2 | ||
| 195 | P | 43.9 | Very low | 52.5 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 154.5 | -174.6 | 26.8 | -34.1 | 0 | 0 | 0 | 111.9 | S197 | P195-S197 PolarHBondContact O-N 3.46Š|
| 196 | P | 46.3 | Very low | 50 | Low | 130 Ų | 130 | 127.3 Ų | 127.3 | 84% | 0.844 | 74% | 0.742 | S | S | * | * | trans | -69.7 | 104.1 | 178.9 | 29 | -32.1 | 0 | 0 | 0 | 109.3 | M198 | P196-M198 PolarHBondContact O-N 2.9Š| ||
| 197 | S | 32.5 | Very low | 47.6 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -77.1 | 109.9 | 172.2 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | P195 | P195-S197 PolarHBondContact O-N 3.46Š| ||
| 198 | M | 38.9 | Very low | 45.4 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -53.6 | 138.1 | 167.1 | -64.6 | -120.3 | 167.1 | 0 | 0 | 110.8 | P196 | P196-M198 PolarHBondContact O-N 2.9Š| ||
| 199 | S | 38.8 | Very low | 43.2 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -56.6 | 147.6 | 170.9 | -41 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 200 | P | 38.7 | Very low | 41.3 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -138.7 | 173 | 126.2 | 15.1 | 8.7 | 0 | 0 | 0 | 114 | |||||
| 201 | P | 43.6 | Very low | 39.6 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -98.4 | 162.1 | -144.8 | 37.9 | -35.2 | 0 | 0 | 0 | 116.5 | ||||
| 202 | Q | 37.5 | Very low | 38.9 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 40.6 | 120 | 147.9 | -62.6 | -177 | 0.3 | 0 | 0 | 120 | ||||
| 203 | Q | 32.4 | Very low | 37.9 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | 163.9 | 133.1 | 111.5 | -90.6 | 176.6 | -32.1 | 0 | 0 | 112.1 | |||||
| 204 | G | 29.2 | Very low | 38.1 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 96.5 | 114.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 205 | S | 33.1 | Very low | 38.1 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 74.8 | 103.3 | 132.1 | 41.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 206 | V | 32.9 | Very low | 37.6 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | 47.8 | 122.8 | 128.7 | -68.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 207 | S | 34 | Very low | 36.9 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | 141.2 | 115.9 | 103 | -156.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 208 | R | 37 | Very low | 36.8 | Very low | 248 Ų | 248 | 130.1 Ų | 130.1 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | 44.6 | 134.4 | 135 | -65.2 | -179.9 | 164.6 | -179.3 | -4.5 | 122.1 | ||||
| 209 | G | 31 | Very low | 36.3 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 162.3 | 113.1 | 142.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 210 | D | 32.4 | Very low | 36 | Very low | 157 Ų | 157 | 126 Ų | 126 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -64.4 | 145.5 | 179.3 | -100.2 | -58.1 | 0 | 0 | 0 | 117.4 | ||||
| 211 | S | 30 | Very low | 35.9 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | 33.2 | 168.6 | 131.5 | -56.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 212 | P | 50.5 | Low | 35.3 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -139.3 | 160.5 | -39.9 | 36.4 | -17.4 | 0 | 0 | 0 | 116.3 | ||||
| 213 | S | 30.9 | Very low | 35.1 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 44.7 | 174.3 | 146.7 | -35.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 214 | P | 61.2 | Low | 35.3 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | -114 | -175.1 | -125 | 35.4 | -11.1 | 0 | 0 | 0 | 114.2 | |||||
| 215 | P | 45.4 | Very low | 36.1 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | -158.3 | -176.6 | 91.9 | 39.5 | -16.4 | 0 | 0 | 0 | 116.8 | |||||
| 216 | S | 33.7 | Very low | 35.9 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -71.9 | 175 | -167.9 | -44.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 217 | T | 30.8 | Very low | 36 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 83.7 | 117.4 | 147.4 | 29.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 218 | N | 30.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | 156.8 | 119.5 | 112 | -85.8 | -33.3 | 0 | 0 | 0 | 113.9 | |||||
| 219 | T | 30 | Very low | 35.8 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | 83.3 | 129.4 | 108.9 | -33 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 220 | S | 30.8 | Very low | 36.7 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | 171.3 | 147.6 | 73 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 221 | I | 36.3 | Very low | 37.5 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | 49.1 | 143.8 | 136.8 | 75.5 | -168.3 | 0 | 0 | 0 | 120.3 | ||||
| 222 | S | 31.8 | Very low | 38 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -176.6 | 160 | 43 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 223 | S | 33.2 | Very low | 37.8 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 85.3 | 123.6 | 149.4 | 69.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 224 | K | 36 | Very low | 38.3 | Very low | 198 Ų | 198 | 129.6 Ų | 129.6 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -85.5 | 173.9 | 161.4 | -126.9 | 165 | 177.6 | 166.3 | 0 | 108.6 | ||||
| 225 | P | 46.4 | Very low | 37.6 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | cis | -143.5 | 163.5 | 4.5 | 37.6 | -17.2 | 0 | 0 | 0 | 117.2 | ||||
| 226 | G | 30.2 | Very low | 37.5 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 152.3 | 101.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 227 | F | 33.6 | Very low | 38 | Very low | 216 Ų | 216 | 130.4 Ų | 130.4 | 95% | 0.947 | 77% | 0.767 | S | S | * | * | trans | 31.7 | 123.1 | 162.3 | -87.9 | -101.6 | 0 | 0 | 0 | 118.7 | ||||
| 228 | A | 30.3 | Very low | 38.5 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | -169.1 | 158.5 | 64.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 229 | H | 36.2 | Very low | 39.2 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | 65.6 | 115 | 152.6 | -107.8 | -90.2 | 0 | 0 | 0 | 122.8 | ||||
| 230 | K | 50.6 | Low | 39.7 | Very low | 187 Ų | 187 | 137 Ų | 137 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -66.7 | -163.9 | 156.6 | -45.9 | 169.6 | 175.2 | 178.9 | 0 | 110.2 | ||||
| 231 | P | 49.3 | Very low | 40.1 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | cis | -121.1 | 166.8 | -48.3 | 19.6 | 0.7 | 0 | 0 | 0 | 108.2 | ||||
| 232 | N | 41.4 | Very low | 40.4 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 169.9 | 79.5 | 133.7 | -83.4 | -4 | 0 | 0 | 0 | 107.3 | L234 | N232-L234 PolarHBondContact O-N 2.91Š| ||
| 233 | G | 45.6 | Very low | 40.8 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -66.2 | 110.9 | 143.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 234 | L | 41.3 | Very low | 41.1 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -80 | 102.2 | 147.9 | -75.4 | 162 | 0 | 0 | 0 | 103.8 | N232 | N232-L234 PolarHBondContact O-N 2.91Š| ||
| 235 | V | 46.8 | Very low | 41.5 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | 36.5 | 95.3 | 78.8 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | L237 | V235-L237 HydrophobicContact CG1-CG 4.35Š| |||
| 236 | A | 43.2 | Very low | 41.6 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -70.1 | 115.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 237 | L | 44.8 | Very low | 42 | Very low | 157 Ų | 157 | 137 Ų | 137 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -145.6 | 86.7 | 156 | -84.1 | 179.2 | 0 | 0 | 0 | 108.3 | V235 | V235-L237 HydrophobicContact CG1-CG 4.35Š| ||
| 238 | L | 40.1 | Very low | 42.5 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | trans | -125.8 | 106 | 150.2 | -73.1 | 172.8 | 0 | 0 | 0 | 105.6 | ||||
| 239 | D | 45.2 | Very low | 43 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -158.8 | 114.5 | 131.9 | -163.8 | 20.1 | 0 | 0 | 0 | 107.7 | ||||
| 240 | M | 41.4 | Very low | 43 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | trans | 169.9 | 94.6 | 148.1 | -75.9 | -129 | 77.9 | 0 | 0 | 108.5 | ||||
| 241 | D | 38.7 | Very low | 42.3 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | -112.3 | 134.6 | 151.3 | -169.7 | -124.5 | 0 | 0 | 0 | 104.5 | ||||
| 242 | K | 42.6 | Very low | 41.8 | Very low | 171 Ų | 171 | 128 Ų | 128 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | -176 | 134.2 | 78.7 | -135.8 | 129.6 | -163.8 | -79.2 | 0 | 112.2 | |||||
| 243 | V | 41 | Very low | 41.7 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | 62.9 | 112 | 124 | 174.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 244 | G | 39.6 | Very low | 41.4 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | 78.7 | 110.7 | 99 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 245 | H | 44.2 | Very low | 42 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -25.7 | 164 | 158.6 | -57.7 | -70.5 | 0 | 0 | 0 | 118.6 | ||||
| 246 | P | 47.7 | Very low | 41.8 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | cis | -156.9 | -174.3 | 48.5 | 37.3 | -10.4 | 0 | 0 | 0 | 119.4 | ||||
| 247 | G | 39.3 | Very low | 42 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -71.1 | -163 | -171.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 248 | R | 44.5 | Very low | 41.8 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 48% | 0.479 | 74% | 0.744 | S | S | . | * | cis | -171.7 | 159 | 13.5 | -170.6 | -168.5 | 171.8 | -98.5 | -39 | 110.4 | V352 G353 M354 G355 | R248-V352 PolarHBondContact NH1-O 3.46Å; R248-G353 PolarHBondContact NH1-O 3.48Å; R248-M354 VanDerWaalsContact CZ-C 3.44Å; R248-M354 PolarHBondContact NE-O 3.1Å; R248-G355 VanDerWaalsContact CZ-N 3.29Å | ||
| 249 | A | 39.1 | Very low | 41.9 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | trans | 77.9 | 141.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 250 | G | 37.7 | Very low | 41.8 | Very low | 54 Ų | 54 | 131.1 Ų | 131.1 | 56% | 0.557 | 73% | 0.73 | S | S | * | * | cis | 176.4 | 153.8 | 2.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 251 | F | 35.2 | Very low | 42.2 | Very low | 205 Ų | 205 | 133.1 Ų | 133.1 | 90% | 0.899 | 73% | 0.728 | S | S | * | * | 171.5 | 139.3 | 95 | -120.2 | -105.8 | 0 | 0 | 0 | 112.9 | |||||
| 252 | D | 39.4 | Very low | 42.7 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | trans | 41.6 | 133.6 | 140.6 | -130.5 | -89.8 | 0 | 0 | 0 | 125.8 | ||||
| 253 | T | 38.2 | Very low | 43 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | -168.7 | 128.6 | 119.7 | 29.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 254 | D | 40.5 | Very low | 43.5 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 46.1 | 111 | 139.6 | -100.1 | -104.6 | 0 | 0 | 0 | 124.1 | ||||
| 255 | D | 52 | Low | 43.9 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | 62.2 | 104.4 | 107.9 | -137.1 | -65.1 | 0 | 0 | 0 | 122.6 | |||||
| 256 | R | 43.2 | Very low | 43.9 | Very low | 232 Ų | 232 | 134 Ų | 134 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | -164.9 | 150.6 | 129.9 | -136.7 | 115.3 | -179.3 | -128.9 | -8.5 | 113.4 | |||||
| 257 | P | 48.5 | Very low | 43.7 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | trans | -90.2 | 132 | -160.2 | 35.7 | -33.3 | 0 | 0 | 0 | 113.3 | ||||
| 258 | C | 40.3 | Very low | 44 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -98 | 92.5 | 166.5 | -63.4 | 0 | 0 | 0 | 0 | 109.2 | I260 | C258-I260 PolarHBondContact O-N 3.23Š| ||
| 259 | N | 42.1 | Very low | 43.5 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -68.9 | 92.3 | 169.5 | 179.8 | 9.2 | 0 | 0 | 0 | 110.1 | R261 | N259-R261 PolarHBondContact OD1-N 3.46Š| ||
| 260 | I | 42.8 | Very low | 43.2 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -94.7 | 11.2 | 172.1 | 41.3 | 167.6 | 0 | 0 | 0 | 113.5 | C258 S262 | C258-I260 PolarHBondContact O-N 3.23Å; I260-S262 VanDerWaalsContact C-N 3.31Å; I260-S262 PolarHBondContact O-N 3.33Å; I260-S262 VanDerWaalsContact O-N 3.07Å | ||
| 261 | R | 50 | Low | 43.4 | Very low | 225 Ų | 225 | 149.2 Ų | 149.2 | 85% | 0.849 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 78.3 | 166.6 | -83.9 | -172.2 | 176.7 | 141.3 | -0 | 109.8 | N259 | N259-R261 PolarHBondContact OD1-N 3.46Š|
| 262 | S | 50.1 | Low | 43.2 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.7 | 23.2 | 152.4 | -78.7 | 0 | 0 | 0 | 0 | 113.7 | I260 T264 | I260-S262 VanDerWaalsContact C-N 3.31Å; I260-S262 PolarHBondContact O-N 3.33Å; I260-S262 VanDerWaalsContact O-N 3.07Å; S262-T264 PolarHBondContact O-N 2.91Å |
| 263 | L | 47.1 | Very low | 42.9 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -83.4 | 74 | 166.8 | -62.8 | -174 | 0 | 0 | 0 | 109.6 | ||||
| 264 | T | 51.3 | Low | 43.9 | Very low | 127 Ų | 127 | 145 Ų | 145 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -83.9 | 112.8 | 166.4 | -55 | 0 | 0 | 0 | 0 | 107.9 | S262 | S262-T264 PolarHBondContact O-N 2.91Š| ||
| 265 | F | 49.1 | Very low | 43.4 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 77% | 0.768 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 130.6 | 171.5 | -66.2 | -84.9 | 0 | 0 | 0 | 110.3 | K267 | F265-K267 PolarHBondContact O-N 3.48Š|
| 266 | P | 44.3 | Very low | 42.6 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64 | 122.2 | 172.7 | -22.5 | 34.1 | 0 | 0 | 0 | 111.2 | ||
| 267 | K | 43.5 | Very low | 42.1 | Very low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 127.8 | 171.6 | -74.9 | -175.1 | 175.5 | 175.6 | 0 | 109.4 | F265 S269 | F265-K267 PolarHBondContact O-N 3.48Å; K267-S269 PolarHBondContact O-N 3.39Å |
| 268 | L | 45.7 | Very low | 41.2 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -71.9 | 109.3 | 167.5 | -63.3 | 175.2 | 0 | 0 | 0 | 108.9 | ||||
| 269 | S | 33.7 | Very low | 40.5 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -152.7 | 107.5 | 157.7 | -69.9 | 0 | 0 | 0 | 0 | 109.1 | K267 | K267-S269 PolarHBondContact O-N 3.39Š| ||
| 270 | D | 33.6 | Very low | 40.1 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 35.8 | 134.8 | 132.9 | -157.7 | 24.2 | 0 | 0 | 0 | 122.5 | ||||
| 271 | S | 40.3 | Very low | 40.1 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 85.1 | 117.3 | 156.1 | -153.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 272 | G | 32.6 | Very low | 39.5 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 138.8 | 106.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 273 | E | 32.9 | Very low | 39 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -64.8 | -179.4 | 175.3 | -118 | -159.6 | 115.8 | 0 | 0 | 115.5 | ||||
| 274 | P | 58.1 | Low | 38.7 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -118.4 | 170.2 | -136.3 | 38.4 | -19.1 | 0 | 0 | 0 | 115.2 | ||||
| 275 | E | 29.6 | Very low | 37.9 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -176.9 | 114.6 | 152.9 | -105.6 | 172.3 | 177.6 | 0 | 0 | 109.5 | ||||
| 276 | S | 36 | Very low | 37.2 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 84.5 | 140.7 | 83.7 | 88.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 277 | V | 31.9 | Very low | 37 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | trans | 118.2 | 102.1 | 154.6 | -173 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 278 | K | 29.6 | Very low | 36.5 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 68.5 | 116.3 | 130.7 | -63.8 | 175.8 | -169.2 | 172.8 | 0 | 124.9 | ||||
| 279 | Y | 27.4 | Very low | 35.9 | Very low | 228 Ų | 228 | 141.2 Ų | 141.2 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | 31.5 | 141.2 | 117.3 | -75.1 | -82.1 | 0 | 0 | 0 | 119.4 | |||||
| 280 | S | 32.1 | Very low | 35.6 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -177 | -157.3 | 12.5 | -165.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 281 | P | 43.6 | Very low | 35.7 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | -122.7 | 163 | -92.1 | 38.8 | -21.1 | 0 | 0 | 0 | 118 | |||||
| 282 | V | 36.3 | Very low | 35.2 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 17.3 | 153.2 | 146.2 | -150.2 | 0 | 0 | 0 | 0 | 122.3 | V284 | V282-V284 HydrophobicContact CG1-CG2 3.81Š| ||
| 283 | P | 40.2 | Very low | 35 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | -142.1 | 151.9 | 93.5 | 30.4 | -10.3 | 0 | 0 | 0 | 117.5 | |||||
| 284 | V | 40.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 66% | 0.655 | 79% | 0.789 | S | S | * | * | trans | -85.2 | 161.5 | 176.9 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | V282 | V282-V284 HydrophobicContact CG1-CG2 3.81Š| ||
| 285 | P | 34.4 | Very low | 33.8 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -128.1 | 145.9 | 138.5 | 34 | -21 | 0 | 0 | 0 | 114 | ||||
| 286 | S | 35.2 | Very low | 34.8 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -104.9 | 167.6 | -178.9 | -77.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 287 | P | 39.5 | Very low | 35 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -98.4 | 162.2 | -156.7 | 37 | -31.6 | 0 | 0 | 0 | 114.8 | ||||
| 288 | R | 33.8 | Very low | 34.8 | Very low | 261 Ų | 261 | 141.6 Ų | 141.6 | 99% | 0.985 | 80% | 0.804 | S | S | * | * | trans | -118.9 | 138.3 | 170.1 | -82.8 | -168.2 | 164.9 | -150.8 | -2.4 | 112.7 | ||||
| 289 | R | 32.4 | Very low | 35.1 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -112.6 | 142 | 175.9 | -179.1 | -177.2 | 175.2 | 165.9 | 0.3 | 108.1 | ||||
| 290 | N | 28.8 | Very low | 35.7 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | 171.1 | 148.5 | 129.5 | -84.1 | -36.4 | 0 | 0 | 0 | 113.7 | |||||
| 291 | L | 34.8 | Very low | 35.6 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -81.2 | 158.3 | -170.7 | -65.4 | 118.2 | 0 | 0 | 0 | 114.9 | ||||
| 292 | S | 29.6 | Very low | 35 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -161.4 | 144.6 | 135.7 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 293 | N | 29.5 | Very low | 34.8 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -72.9 | 150.4 | -179.2 | -83.9 | -19.9 | 0 | 0 | 0 | 114.1 | ||||
| 294 | S | 30.1 | Very low | 34.1 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | 167 | 157.2 | 124.8 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 295 | S | 35.2 | Very low | 33.7 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -81.3 | 178.5 | -161.5 | -102.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 296 | P | 50.4 | Low | 33.4 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -100 | -179.4 | -146.3 | 41.6 | -37.3 | 0 | 0 | 0 | 115.3 | ||||
| 297 | P | 39.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | -151.9 | 158.6 | 120.8 | 35.9 | -17.1 | 0 | 0 | 0 | 118.7 | |||||
| 298 | A | 28.7 | Very low | 32.8 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 84.3 | 120.9 | 136.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 299 | L | 36.3 | Very low | 32.5 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -53.2 | 164.3 | 158 | -74.4 | 149.5 | 0 | 0 | 0 | 113.7 | ||||
| 300 | P | 38.3 | Very low | 32.6 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | -135.7 | 167.8 | 109.2 | 35.9 | -23.2 | 0 | 0 | 0 | 115.5 | |||||
| 301 | K | 30.7 | Very low | 32.5 | Very low | 188 Ų | 188 | 134 Ų | 134 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -106.3 | 139.6 | -160 | -157.4 | 168 | -172.8 | 171 | 0 | 110 | ||||
| 302 | T | 31.3 | Very low | 32 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | trans | 31 | 119 | 143.2 | -42 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 303 | Q | 31.8 | Very low | 32 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -139.1 | 121.9 | 140.6 | -65.7 | -166.3 | 26 | 0 | 0 | 111 | ||||
| 304 | V | 26.5 | Very low | 32 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 70% | 0.703 | 80% | 0.803 | S | S | * | * | trans | -72.6 | 150.1 | 165.7 | 168.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 305 | I | 30 | Very low | 32.1 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | 170.1 | 113.7 | 133.8 | -83.4 | 152 | 0 | 0 | 0 | 110.8 | ||||
| 306 | V | 28.4 | Very low | 31.8 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | 52.4 | 128.8 | 129.3 | -166.7 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 307 | A | 29.8 | Very low | 30.6 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -64.1 | 166.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 308 | P | 33.4 | Very low | 30.4 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | -140.1 | 152 | 120.9 | 30.9 | -13.7 | 0 | 0 | 0 | 115.7 | |||||
| 309 | E | 27.8 | Very low | 30.8 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -60.4 | 152.6 | 169.3 | -167.4 | -165.5 | 155.5 | 0 | 0 | 113.5 | ||||
| 310 | P | 33.7 | Very low | 30.5 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -106.2 | 137.4 | 162.9 | 34.4 | -27.8 | 0 | 0 | 0 | 114.3 | ||||
| 311 | S | 26.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -71.6 | 140.9 | 177.9 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 312 | N | 24.8 | Very low | 30.4 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -84.1 | 144.4 | 173.6 | -75.5 | -66.5 | 0 | 0 | 0 | 113.3 | ||||
| 313 | H | 29.8 | Very low | 30.4 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -113.8 | 126.2 | 164.2 | -91.9 | -68.7 | 0 | 0 | 0 | 111.2 | ||||
| 314 | N | 28.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -75.8 | 149.6 | 174.9 | -74 | -29.7 | 0 | 0 | 0 | 112.9 | ||||
| 315 | K | 33.2 | Very low | 31.2 | Very low | 215 Ų | 215 | 134.4 Ų | 134.4 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -160.7 | 133.8 | 134.8 | -105.3 | 169.8 | -171.1 | -173.8 | 0 | 111.1 | ||||
| 316 | S | 27.7 | Very low | 31.4 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -91.5 | 161 | -171.5 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 317 | G | 26.6 | Very low | 31.7 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -178.4 | 109.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 318 | T | 34.6 | Very low | 32 | Very low | 133 Ų | 133 | 132 Ų | 132 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -115.2 | 154.9 | 169.7 | -13.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 319 | P | 36.4 | Very low | 32.2 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | -148.4 | 144.5 | 64.5 | 33.4 | -10.6 | 0 | 0 | 0 | 118.5 | |||||
| 320 | K | 30.3 | Very low | 33 | Very low | 196 Ų | 196 | 127.3 Ų | 127.3 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | 41.2 | 160.6 | 135.5 | -109.4 | -175.6 | 173 | 172.9 | 0 | 123 | ||||
| 321 | P | 40.9 | Very low | 33.3 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | -127.5 | 153.5 | -55 | 27.8 | -7.9 | 0 | 0 | 0 | 113.8 | |||||
| 322 | A | 26.2 | Very low | 34.3 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -156.4 | 148.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 323 | N | 32.6 | Very low | 35.3 | Very low | 160 Ų | 160 | 126 Ų | 126 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -52.2 | 166.4 | -170.2 | -104.5 | -38.4 | 0 | 0 | 0 | 117.8 | G325 | N323-G325 PolarHBondContact O-N 3.02Š| ||
| 324 | P | 35.6 | Very low | 36.2 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -80.5 | 118.5 | -159.5 | 33.1 | -34 | 0 | 0 | 0 | 112 | ||||
| 325 | G | 37.8 | Very low | 37.4 | Very low | 72 Ų | 72 | 115.2 Ų | 115.2 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -114.1 | 121 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | N323 | N323-G325 PolarHBondContact O-N 3.02Š| ||
| 326 | T | 34.7 | Very low | 38.3 | Very low | 139 Ų | 139 | 107 Ų | 107 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -128.6 | 104.8 | 165.9 | -54.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 327 | G | 36.1 | Very low | 39.5 | Very low | 73 Ų | 73 | 103.5 Ų | 103.5 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | -74.5 | 156.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 328 | S | 34.3 | Very low | 41 | Very low | 107 Ų | 107 | 106.6 Ų | 106.6 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -140.9 | 103.3 | 151.9 | -158.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 329 | T | 38.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 104.9 Ų | 104.9 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | trans | 46 | 91.8 | 136.1 | 54.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 330 | G | 44.2 | Very low | 43.6 | Very low | 80 Ų | 80 | 100.1 Ų | 100.1 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | 54.3 | 83.6 | 126.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 331 | L | 41.4 | Very low | 45.8 | Very low | 138 Ų | 138 | 93.4 Ų | 93.4 | 72% | 0.723 | 65% | 0.651 | S | S | * | * | trans | -92.2 | 135.6 | 158.7 | -73.8 | 168.8 | 0 | 0 | 0 | 110.1 | C333 L337 | L331-C333 PolarHBondContact O-N 3.47Å; L331-L337 HydrophobicContact CD1-CD1 4.43Å | ||
| 332 | P | 47.7 | Very low | 47.6 | Very low | 126 Ų | 126 | 92.8 Ų | 92.8 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -84.1 | 63.3 | 173.6 | 37 | -32.4 | 0 | 0 | 0 | 108.8 | ||
| 333 | C | 45.6 | Very low | 50.1 | Low | 81 Ų | 81 | 91.2 Ų | 91.2 | 55% | 0.547 | 63% | 0.63 | S | S | . | * | trans | -170.7 | 57.5 | 164.6 | -107.6 | 0 | 0 | 0 | 0 | 110.2 | L331 G335 | L331-C333 PolarHBondContact O-N 3.47Å; C333-G335 PolarHBondContact O-N 2.89Å | ||
| 334 | G | 47.4 | Very low | 52.2 | Low | 59 Ų | 59 | 85.5 Ų | 85.5 | 61% | 0.608 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -8.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L338 | G334-L338 WeakPolarHBondContact O-CD1 3.49Š|
| 335 | G | 52.8 | Low | 54.5 | Low | 57 Ų | 57 | 84.6 Ų | 84.6 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -45.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C333 | C333-G335 PolarHBondContact O-N 2.89Š|
| 336 | A | 53.4 | Low | 56.6 | Low | 42 Ų | 42 | 87.4 Ų | 87.4 | 35% | 0.347 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -30.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S339 M340 | A336-S339 PolarHBondContact O-OG 3.25Å; A336-M340 WeakPolarHBondContact O-CG 3.17Å |
| 337 | L | 53.5 | Low | 58.6 | Low | 52 Ų | 52 | 81.4 Ų | 81.4 | 27% | 0.272 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -26.9 | 178.1 | -88.3 | 174.7 | 0 | 0 | 0 | 113.7 | L331 M340 R345 Y358 | L331-L337 HydrophobicContact CD1-CD1 4.43Å; L337-M340 HydrophobicContact CD2-SD 4.42Å; L337-R345 HydrophobicContact CD2-CG 3.98Å; L337-Y358 WeakPolarHBondContact CD1-OH 3.46Å; L337-Y358 WeakPolarHBondContact CD2-OH 3.38Å; L337-Y358 WeakPolarHBondContact CG-OH 3.42Å |
| 338 | L | 56.2 | Low | 61 | Low | 142 Ų | 142 | 78 Ų | 78 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -23 | 178.2 | -73.6 | 173.4 | 0 | 0 | 0 | 112.4 | G334 M340 | G334-L338 WeakPolarHBondContact O-CD1 3.49Å; L338-M340 VanDerWaalsContact C-N 3.34Å |
| 339 | S | 59.6 | Low | 63.4 | Low | 97 Ų | 97 | 79.6 Ų | 79.6 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4 | 174.9 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | A336 | A336-S339 PolarHBondContact O-OG 3.25Š|
| 340 | M | 67.2 | Low | 65.6 | Low | 22 Ų | 22 | 77 Ų | 77 | 11% | 0.108 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -95.1 | 138.1 | -178.3 | -69 | 175.1 | 81.2 | 0 | 0 | 112.2 | A336 L337 L338 E344 R345 V348 L362 M365 | A336-M340 WeakPolarHBondContact O-CG 3.17Å; L337-M340 HydrophobicContact CD2-SD 4.42Å; L338-M340 VanDerWaalsContact C-N 3.34Å; M340-E344 VanDerWaalsContact CA-OE2 3.32Å; M340-E344 WeakPolarHBondContact CA-OE2 3.48Å; M340-E344 HydrophobicContact CB-CB 4.08Å; M340-E344 HydrophobicContact CE-CB 3.62Å; M340-R345 HydrophobicContact CB-CG 4.05Å; M340-R345 PolarHBondContact O-NE 2.72Å; M340-R345 PolarHBondContact O-NH2 2.9Å; M340-V348 HydrophobicContact CE-CG2 3.54Å; M340-L362 HydrophobicContact CE-CD2 3.66Å; M340-L362 HydrophobicContact SD-CD2 3.58Å; M340-L362 VanDerWaalsContact SD-CD2 3.58Å; M340-M365 HydrophobicContact CE-CE 3.91Å; M340-M365 HydrophobicContact CE-SD 4.34Å |
| 341 | T | 77.1 | Confident | 67.5 | Low | 54 Ų | 54 | 73.2 Ų | 73.2 | 33% | 0.331 | 44% | 0.442 | S | S | . | . | trans | -61.6 | 155.5 | 171.3 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | S343 E344 R345 | T341-S343 PolarHBondContact O-N 2.93Å; T341-S343 PolarHBondContact OG1-OG 3.16Å; T341-E344 PolarHBondContact N-OE2 3.14Å; T341-E344 PolarHBondContact O-N 3.22Å; T341-E344 VanDerWaalsContact O-N 3.15Å; T341-E344 WeakPolarHBondContact OG1-CB 3.32Å; T341-E344 WeakPolarHBondContact OG1-CG 3.38Å; T341-E344 PolarHBondContact OG1-N 3.01Å; T341-E344 PolarHBondContact OG1-OE2 2.96Å; T341-R345 PolarHBondContact O-N 2.95Å; T341-R345 VanDerWaalsContact O-N 3.11Å | ||
| 342 | P | 77.9 | Confident | 69.7 | Low | 100 Ų | 100 | 69.1 Ų | 69.1 | 65% | 0.649 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -56.7 | -35.4 | 178.6 | -26.1 | 35.3 | 0 | 0 | 0 | 113.5 | R345 Q346 | P342-R345 PolarHBondContact O-N 3.16Å; P342-Q346 PolarHBondContact O-N 3.36Å; P342-Q346 VanDerWaalsContact O-N 3.07Å |
| 343 | S | 77.6 | Confident | 71.5 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 51% | 0.51 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 176.5 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | T341 R345 Q346 C347 | T341-S343 PolarHBondContact O-N 2.93Å; T341-S343 PolarHBondContact OG1-OG 3.16Å; S343-R345 VanDerWaalsContact C-N 3.34Å; S343-Q346 PolarHBondContact O-N 2.99Å; S343-C347 WeakPolarHBondContact O-CB 3.37Å; S343-C347 PolarHBondContact O-N 3.37Å |
| 344 | E | 78.1 | Confident | 73.2 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 19% | 0.187 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 175.7 | -75.2 | 166.3 | 161.5 | 0 | 0 | 111.6 | M340 T341 C347 V348 M365 Q370 | M340-E344 VanDerWaalsContact CA-OE2 3.32Å; M340-E344 WeakPolarHBondContact CA-OE2 3.48Å; M340-E344 HydrophobicContact CB-CB 4.08Å; M340-E344 HydrophobicContact CE-CB 3.62Å; T341-E344 PolarHBondContact N-OE2 3.14Å; T341-E344 PolarHBondContact O-N 3.22Å; T341-E344 VanDerWaalsContact O-N 3.15Å; T341-E344 WeakPolarHBondContact OG1-CB 3.32Å; T341-E344 WeakPolarHBondContact OG1-CG 3.38Å; T341-E344 PolarHBondContact OG1-N 3.01Å; T341-E344 PolarHBondContact OG1-OE2 2.96Å; E344-C347 WeakPolarHBondContact O-CB 3.32Å; E344-C347 PolarHBondContact O-N 2.92Å; E344-V348 VanDerWaalsContact O-CG2 3.32Å; E344-V348 WeakPolarHBondContact O-CG2 3.43Å; E344-V348 PolarHBondContact O-N 3.39Å; E344-M365 HydrophobicContact CB-CE 3.67Å; E344-M365 HydrophobicContact CG-CE 3.71Å; E344-Q370 HydrophobicContact CG-CG 3.89Å; E344-Q370 PolarHBondContact OE1-NE2 2.92Å |
| 345 | R | 83.6 | Confident | 74.9 | Confident | 97 Ų | 97 | 65.7 Ų | 65.7 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.7 | -77.3 | -178.2 | -94 | 175.5 | -11.8 | 112 | L337 M340 T341 P342 S343 C347 V348 E349 | L337-R345 HydrophobicContact CD2-CG 3.98Å; M340-R345 HydrophobicContact CB-CG 4.05Å; M340-R345 PolarHBondContact O-NE 2.72Å; M340-R345 PolarHBondContact O-NH2 2.9Å; T341-R345 PolarHBondContact O-N 2.95Å; T341-R345 VanDerWaalsContact O-N 3.11Å; P342-R345 PolarHBondContact O-N 3.16Å; S343-R345 VanDerWaalsContact C-N 3.34Å; R345-C347 VanDerWaalsContact C-N 3.3Å; R345-C347 PolarHBondContact O-N 2.64Å; R345-V348 PolarHBondContact O-N 3.12Å; R345-E349 WeakPolarHBondContact O-CB 3.44Å; R345-E349 WeakPolarHBondContact O-CG 3.28Å; R345-E349 PolarHBondContact O-N 3.46Å |
| 346 | Q | 81.6 | Confident | 76.4 | Confident | 130 Ų | 130 | 65.6 Ų | 65.6 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.5 | -37.5 | 176.3 | -173.1 | 176.6 | -4.9 | 0 | 0 | 112.3 | P342 S343 T350 | P342-Q346 PolarHBondContact O-N 3.36Å; P342-Q346 VanDerWaalsContact O-N 3.07Å; S343-Q346 PolarHBondContact O-N 2.99Å; Q346-T350 WeakPolarHBondContact O-CB 3.44Å; Q346-T350 PolarHBondContact O-N 2.87Å; Q346-T350 PolarHBondContact O-OG1 2.85Å |
| 347 | C | 77.6 | Confident | 77.9 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.088 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 173.6 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | S343 E344 R345 E349 T350 L351 M365 V372 | S343-C347 WeakPolarHBondContact O-CB 3.37Å; S343-C347 PolarHBondContact O-N 3.37Å; E344-C347 WeakPolarHBondContact O-CB 3.32Å; E344-C347 PolarHBondContact O-N 2.92Å; R345-C347 VanDerWaalsContact C-N 3.3Å; R345-C347 PolarHBondContact O-N 2.64Å; C347-E349 PolarHBondContact O-N 2.71Å; C347-T350 PolarHBondContact O-N 3.01Å; C347-L351 PolarHBondContact O-N 2.9Å; C347-M365 HydrophobicContact CB-CE 4.2Å; C347-M365 HydrophobicContact CB-SD 4.4Å; C347-V372 HydrophobicContact CB-CG2 4.25Å |
| 348 | V | 84.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.012 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 111 | M340 E344 R345 T350 L351 V352 Y358 V361 L362 M365 | M340-V348 HydrophobicContact CE-CG2 3.54Å; E344-V348 VanDerWaalsContact O-CG2 3.32Å; E344-V348 WeakPolarHBondContact O-CG2 3.43Å; E344-V348 PolarHBondContact O-N 3.39Å; R345-V348 PolarHBondContact O-N 3.12Å; V348-T350 VanDerWaalsContact C-N 3.3Å; V348-T350 PolarHBondContact O-N 3.34Å; V348-L351 PolarHBondContact O-N 2.97Å; V348-V352 HydrophobicContact CG1-CG2 4.02Å; V348-V352 VanDerWaalsContact O-CB 3.28Å; V348-V352 WeakPolarHBondContact O-CB 3.46Å; V348-V352 WeakPolarHBondContact O-CG2 3.15Å; V348-V352 PolarHBondContact O-N 2.83Å; V348-Y358 HydrophobicContact CG1-CD2 3.6Å; V348-Y358 HydrophobicContact CG1-CE2 3.25Å; V348-Y358 HydrophobicContact CG1-CG 4.46Å; V348-V361 HydrophobicContact CB-CG1 4.27Å; V348-V361 HydrophobicContact CG1-CG1 4.22Å; V348-V361 HydrophobicContact CG2-CG1 4.02Å; V348-L362 HydrophobicContact CG2-CD2 3.96Å; V348-M365 HydrophobicContact CG2-CE 4.24Å; V348-M365 HydrophobicContact CG2-SD 3.39Å; V348-M365 WeakPolarHBondContact CG2-SD 3.44Å |
| 349 | E | 84.9 | Confident | 80.7 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 66% | 0.659 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61 | -39.1 | 178.1 | -74 | 175.7 | -179.2 | 0 | 0 | 112.1 | R345 C347 G353 | R345-E349 WeakPolarHBondContact O-CB 3.44Å; R345-E349 WeakPolarHBondContact O-CG 3.28Å; R345-E349 PolarHBondContact O-N 3.46Å; C347-E349 PolarHBondContact O-N 2.71Å; E349-G353 PolarHBondContact O-N 3.49Å |
| 350 | T | 84.8 | Confident | 81.7 | Confident | 70 Ų | 70 | 67 Ų | 67 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -49.8 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | Q346 C347 V348 V352 G353 M354 | Q346-T350 WeakPolarHBondContact O-CB 3.44Å; Q346-T350 PolarHBondContact O-N 2.87Å; Q346-T350 PolarHBondContact O-OG1 2.85Å; C347-T350 PolarHBondContact O-N 3.01Å; V348-T350 VanDerWaalsContact C-N 3.3Å; V348-T350 PolarHBondContact O-N 3.34Å; T350-V352 PolarHBondContact O-N 2.74Å; T350-G353 CarbonylContact O-C 3.54Å; T350-G353 WeakPolarHBondContact O-CA 3.42Å; T350-G353 PolarHBondContact O-N 3.21Å; T350-M354 WeakPolarHBondContact O-CG 3.36Å; T350-M354 PolarHBondContact O-N 3.43Å |
| 351 | L | 84.6 | Confident | 82.5 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | 180 | -72.7 | 166.5 | 0 | 0 | 0 | 111.9 | C347 V348 G353 M354 G355 Y356 V361 V375 | C347-L351 PolarHBondContact O-N 2.9Å; V348-L351 PolarHBondContact O-N 2.97Å; L351-G353 VanDerWaalsContact C-N 3.34Å; L351-M354 HydrophobicContact CD2-SD 4.47Å; L351-M354 CarbonylContact O-C 3.53Å; L351-M354 WeakPolarHBondContact O-CB 3.26Å; L351-M354 PolarHBondContact O-N 3.48Å; L351-M354 VanDerWaalsContact O-N 3.17Å; L351-G355 PolarHBondContact O-N 2.89Å; L351-Y356 HydrophobicContact CB-CD2 4.2Å; L351-Y356 HydrophobicContact CD2-CD2 3.95Å; L351-Y356 HydrophobicContact CD2-CE2 4.15Å; L351-Y356 VanDerWaalsContact O-CD2 3.29Å; L351-Y356 WeakPolarHBondContact O-CD2 3.43Å; L351-Y356 PolarHBondContact O-N 2.95Å; L351-Y356 VanDerWaalsContact O-N 3.12Å; L351-V361 HydrophobicContact CB-CB 4.47Å; L351-V361 HydrophobicContact CB-CG1 3.94Å; L351-V361 HydrophobicContact CB-CG2 3.63Å; L351-V361 HydrophobicContact CD1-CG1 3.52Å; L351-V361 HydrophobicContact CD1-CG2 4.3Å; L351-V361 HydrophobicContact CG-CG1 4.38Å; L351-V375 HydrophobicContact CD1-CG1 4.06Å |
| 352 | V | 87.3 | Confident | 82.7 | Confident | 51 Ų | 51 | 65.6 Ų | 65.6 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.7 | -34.9 | 174.2 | 174 | 0 | 0 | 0 | 0 | 111.1 | R248 V348 T350 M354 G355 Y356 Y358 V361 | R248-V352 PolarHBondContact NH1-O 3.46Å; V348-V352 HydrophobicContact CG1-CG2 4.02Å; V348-V352 VanDerWaalsContact O-CB 3.28Å; V348-V352 WeakPolarHBondContact O-CB 3.46Å; V348-V352 WeakPolarHBondContact O-CG2 3.15Å; V348-V352 PolarHBondContact O-N 2.83Å; T350-V352 PolarHBondContact O-N 2.74Å; V352-M354 VanDerWaalsContact C-N 3.27Å; V352-M354 PolarHBondContact O-N 3.26Å; V352-G355 WeakPolarHBondContact O-CA 3.19Å; V352-G355 PolarHBondContact O-N 3.26Å; V352-G355 VanDerWaalsContact O-N 3.08Å; V352-Y356 WeakPolarHBondContact CA-O 3.41Å; V352-Y358 HydrophobicContact CG2-CD2 3.93Å; V352-V361 HydrophobicContact CG2-CG2 4.39Å |
| 353 | G | 85 | Confident | 82.8 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -29.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R248 E349 T350 L351 | R248-G353 PolarHBondContact NH1-O 3.48Å; E349-G353 PolarHBondContact O-N 3.49Å; T350-G353 CarbonylContact O-C 3.54Å; T350-G353 WeakPolarHBondContact O-CA 3.42Å; T350-G353 PolarHBondContact O-N 3.21Å; L351-G353 VanDerWaalsContact C-N 3.34Å |
| 354 | M | 83.2 | Confident | 82.7 | Confident | 108 Ų | 108 | 65 Ų | 65 | 53% | 0.532 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -82.3 | -19.7 | 171 | -66.9 | 177.1 | 70.3 | 0 | 0 | 113.4 | R248 T350 L351 V352 Y356 | R248-M354 VanDerWaalsContact CZ-C 3.44Å; R248-M354 PolarHBondContact NE-O 3.1Å; T350-M354 WeakPolarHBondContact O-CG 3.36Å; T350-M354 PolarHBondContact O-N 3.43Å; L351-M354 HydrophobicContact CD2-SD 4.47Å; L351-M354 CarbonylContact O-C 3.53Å; L351-M354 WeakPolarHBondContact O-CB 3.26Å; L351-M354 PolarHBondContact O-N 3.48Å; L351-M354 VanDerWaalsContact O-N 3.17Å; V352-M354 VanDerWaalsContact C-N 3.27Å; V352-M354 PolarHBondContact O-N 3.26Å; M354-Y356 HydrophobicContact CB-CD2 4.16Å; M354-Y356 HydrophobicContact CB-CE2 4.11Å |
| 355 | G | 82.4 | Confident | 82.5 | Confident | 37 Ų | 37 | 64 Ų | 64 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.3 | 11.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | R248 L351 V352 | R248-G355 VanDerWaalsContact CZ-N 3.29Å; L351-G355 PolarHBondContact O-N 2.89Å; V352-G355 WeakPolarHBondContact O-CA 3.19Å; V352-G355 PolarHBondContact O-N 3.26Å; V352-G355 VanDerWaalsContact O-N 3.08Å |
| 356 | Y | 83.7 | Confident | 82 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | trans | -71 | 144.2 | 168.2 | -60.4 | -77.9 | 0 | 0 | 0 | 109.6 | L351 V352 M354 V361 N379 | L351-Y356 HydrophobicContact CB-CD2 4.2Å; L351-Y356 HydrophobicContact CD2-CD2 3.95Å; L351-Y356 HydrophobicContact CD2-CE2 4.15Å; L351-Y356 VanDerWaalsContact O-CD2 3.29Å; L351-Y356 WeakPolarHBondContact O-CD2 3.43Å; L351-Y356 PolarHBondContact O-N 2.95Å; L351-Y356 VanDerWaalsContact O-N 3.12Å; V352-Y356 WeakPolarHBondContact CA-O 3.41Å; M354-Y356 HydrophobicContact CB-CD2 4.16Å; M354-Y356 HydrophobicContact CB-CE2 4.11Å; Y356-V361 VanDerWaalsContact CB-CG2 3.42Å; Y356-V361 HydrophobicContact CG-CG2 4.43Å; Y356-N379 HydrophobicContact CE1-CB 4.02Å | ||
| 357 | S | 84.9 | Confident | 81.3 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | trans | -68.2 | 145.7 | 176.2 | 72.3 | 0 | 0 | 0 | 0 | 109.9 | E359 E360 V361 | S357-E359 PolarHBondContact O-N 3.33Å; S357-E359 VanDerWaalsContact O-N 3.14Å; S357-E360 WeakPolarHBondContact CB-OE2 3.23Å; S357-E360 PolarHBondContact N-OE2 2.99Å; S357-E360 PolarHBondContact O-N 2.86Å; S357-E360 VanDerWaalsContact O-N 3.13Å; S357-E360 WeakPolarHBondContact OG-CB 3.24Å; S357-E360 WeakPolarHBondContact OG-CG 3.37Å; S357-E360 PolarHBondContact OG-N 2.93Å; S357-E360 PolarHBondContact OG-OE2 2.85Å; S357-V361 WeakPolarHBondContact O-CG2 3.45Å; S357-V361 PolarHBondContact O-N 3.4Å; S357-V361 VanDerWaalsContact O-N 3.11Å | ||
| 358 | Y | 85.1 | Confident | 80.4 | Confident | 87 Ų | 87 | 75 Ų | 75 | 34% | 0.341 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56 | -34.2 | -179.1 | -167.3 | -92.6 | 0 | 0 | 0 | 112 | L337 V348 V352 L362 | L337-Y358 WeakPolarHBondContact CD1-OH 3.46Å; L337-Y358 WeakPolarHBondContact CD2-OH 3.38Å; L337-Y358 WeakPolarHBondContact CG-OH 3.42Å; V348-Y358 HydrophobicContact CG1-CD2 3.6Å; V348-Y358 HydrophobicContact CG1-CE2 3.25Å; V348-Y358 HydrophobicContact CG1-CG 4.46Å; V352-Y358 HydrophobicContact CG2-CD2 3.93Å; Y358-L362 HydrophobicContact CD1-CD1 3.67Å; Y358-L362 HydrophobicContact CD1-CG 4.28Å; Y358-L362 HydrophobicContact CE1-CD1 3.25Å; Y358-L362 HydrophobicContact CE1-CG 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.43Å; Y358-L362 VanDerWaalsContact O-CG 3.29Å; Y358-L362 WeakPolarHBondContact O-CG 3.04Å; Y358-L362 PolarHBondContact O-N 3.4Å; Y358-L362 VanDerWaalsContact O-N 3.16Å |
| 359 | E | 84.3 | Confident | 79.4 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -72.9 | -39.7 | 178.7 | -165.7 | -178.5 | 163.7 | 0 | 0 | 113.2 | S357 R363 | S357-E359 PolarHBondContact O-N 3.33Å; S357-E359 VanDerWaalsContact O-N 3.14Å; E359-R363 VanDerWaalsContact O-CB 3.24Å; E359-R363 WeakPolarHBondContact O-CB 3.41Å; E359-R363 PolarHBondContact O-N 2.85Å; E359-R363 IonicContact OE1-CZ 3.93Å; E359-R363 IonicContact OE1-NH2 2.74Å; E359-R363 PolarHBondContact OE1-NH2 3.06Å |
| 360 | E | 80.4 | Confident | 78.1 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.5 | -73.8 | 162.7 | 155.1 | 0 | 0 | 111.6 | S357 R363 A364 | S357-E360 WeakPolarHBondContact CB-OE2 3.23Å; S357-E360 PolarHBondContact N-OE2 2.99Å; S357-E360 PolarHBondContact O-N 2.86Å; S357-E360 VanDerWaalsContact O-N 3.13Å; S357-E360 WeakPolarHBondContact OG-CB 3.24Å; S357-E360 WeakPolarHBondContact OG-CG 3.37Å; S357-E360 PolarHBondContact OG-N 2.93Å; S357-E360 PolarHBondContact OG-OE2 2.85Å; E360-R363 PolarHBondContact O-N 3.03Å; E360-A364 VanDerWaalsContact O-CB 3.31Å; E360-A364 WeakPolarHBondContact O-CB 3.08Å; E360-A364 PolarHBondContact O-N 2.99Å |
| 361 | V | 83.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -47 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | V348 L351 V352 Y356 S357 R363 A364 M365 | V348-V361 HydrophobicContact CB-CG1 4.27Å; V348-V361 HydrophobicContact CG1-CG1 4.22Å; V348-V361 HydrophobicContact CG2-CG1 4.02Å; L351-V361 HydrophobicContact CB-CB 4.47Å; L351-V361 HydrophobicContact CB-CG1 3.94Å; L351-V361 HydrophobicContact CB-CG2 3.63Å; L351-V361 HydrophobicContact CD1-CG1 3.52Å; L351-V361 HydrophobicContact CD1-CG2 4.3Å; L351-V361 HydrophobicContact CG-CG1 4.38Å; V352-V361 HydrophobicContact CG2-CG2 4.39Å; Y356-V361 VanDerWaalsContact CB-CG2 3.42Å; Y356-V361 HydrophobicContact CG-CG2 4.43Å; S357-V361 WeakPolarHBondContact O-CG2 3.45Å; S357-V361 PolarHBondContact O-N 3.4Å; S357-V361 VanDerWaalsContact O-N 3.11Å; V361-R363 VanDerWaalsContact C-N 3.31Å; V361-R363 PolarHBondContact O-N 2.77Å; V361-A364 PolarHBondContact O-N 2.95Å; V361-M365 HydrophobicContact CG1-CG 4.32Å; V361-M365 HydrophobicContact CG1-SD 3.9Å; V361-M365 WeakPolarHBondContact O-CB 3.26Å; V361-M365 VanDerWaalsContact O-CG 3.27Å; V361-M365 WeakPolarHBondContact O-CG 3.41Å; V361-M365 PolarHBondContact O-N 3.34Å |
| 362 | L | 82 | Confident | 75.5 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 176.1 | -75.8 | -178.9 | 0 | 0 | 0 | 112.1 | M340 V348 Y358 M365 Q366 | M340-L362 HydrophobicContact CE-CD2 3.66Å; M340-L362 HydrophobicContact SD-CD2 3.58Å; M340-L362 VanDerWaalsContact SD-CD2 3.58Å; V348-L362 HydrophobicContact CG2-CD2 3.96Å; Y358-L362 HydrophobicContact CD1-CD1 3.67Å; Y358-L362 HydrophobicContact CD1-CG 4.28Å; Y358-L362 HydrophobicContact CE1-CD1 3.25Å; Y358-L362 HydrophobicContact CE1-CG 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.43Å; Y358-L362 VanDerWaalsContact O-CG 3.29Å; Y358-L362 WeakPolarHBondContact O-CG 3.04Å; Y358-L362 PolarHBondContact O-N 3.4Å; Y358-L362 VanDerWaalsContact O-N 3.16Å; L362-M365 PolarHBondContact O-N 3.46Å; L362-Q366 VanDerWaalsContact O-CB 3.28Å; L362-Q366 WeakPolarHBondContact O-CB 2.97Å; L362-Q366 PolarHBondContact O-N 3.11Å |
| 363 | R | 79.1 | Confident | 74 | Confident | 140 Ų | 140 | 83 Ų | 83 | 53% | 0.528 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 178.6 | -167.7 | -175.7 | -60.9 | 165.9 | 0.8 | 112.1 | E359 E360 V361 R367 | E359-R363 VanDerWaalsContact O-CB 3.24Å; E359-R363 WeakPolarHBondContact O-CB 3.41Å; E359-R363 PolarHBondContact O-N 2.85Å; E359-R363 IonicContact OE1-CZ 3.93Å; E359-R363 IonicContact OE1-NH2 2.74Å; E359-R363 PolarHBondContact OE1-NH2 3.06Å; E360-R363 PolarHBondContact O-N 3.03Å; V361-R363 VanDerWaalsContact C-N 3.31Å; V361-R363 PolarHBondContact O-N 2.77Å; R363-R367 WeakPolarHBondContact O-CG 3.2Å; R363-R367 PolarHBondContact O-N 3.24Å |
| 364 | A | 76.6 | Confident | 72.6 | Confident | 21 Ų | 21 | 85.3 Ų | 85.3 | 17% | 0.174 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.8 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E360 V361 Q366 R367 Q368 V375 | E360-A364 VanDerWaalsContact O-CB 3.31Å; E360-A364 WeakPolarHBondContact O-CB 3.08Å; E360-A364 PolarHBondContact O-N 2.99Å; V361-A364 PolarHBondContact O-N 2.95Å; A364-Q366 VanDerWaalsContact C-N 3.31Å; A364-Q366 PolarHBondContact O-N 3.43Å; A364-R367 PolarHBondContact O-N 2.99Å; A364-R367 VanDerWaalsContact O-N 3.14Å; A364-Q368 PolarHBondContact O-N 2.95Å; A364-V375 HydrophobicContact CB-CG1 3.56Å; A364-V375 HydrophobicContact CB-CG2 4.31Å |
| 365 | M | 73.7 | Confident | 71.4 | Confident | 20 Ų | 20 | 80.4 Ų | 80.4 | 10% | 0.099 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 174.6 | -73.4 | -178.4 | 68.6 | 0 | 0 | 112.4 | M340 E344 C347 V348 V361 L362 R367 G369 | M340-M365 HydrophobicContact CE-CE 3.91Å; M340-M365 HydrophobicContact CE-SD 4.34Å; E344-M365 HydrophobicContact CB-CE 3.67Å; E344-M365 HydrophobicContact CG-CE 3.71Å; C347-M365 HydrophobicContact CB-CE 4.2Å; C347-M365 HydrophobicContact CB-SD 4.4Å; V348-M365 HydrophobicContact CG2-CE 4.24Å; V348-M365 HydrophobicContact CG2-SD 3.39Å; V348-M365 WeakPolarHBondContact CG2-SD 3.44Å; V361-M365 HydrophobicContact CG1-CG 4.32Å; V361-M365 HydrophobicContact CG1-SD 3.9Å; V361-M365 WeakPolarHBondContact O-CB 3.26Å; V361-M365 VanDerWaalsContact O-CG 3.27Å; V361-M365 WeakPolarHBondContact O-CG 3.41Å; V361-M365 PolarHBondContact O-N 3.34Å; L362-M365 PolarHBondContact O-N 3.46Å; M365-R367 VanDerWaalsContact C-N 3.28Å; M365-R367 PolarHBondContact O-N 2.99Å; M365-G369 WeakPolarHBondContact O-CA 3.5Å; M365-G369 PolarHBondContact O-N 3.02Å |
| 366 | Q | 73.1 | Confident | 70.2 | Confident | 169 Ų | 169 | 79.9 Ų | 79.9 | 79% | 0.79 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.1 | -25.9 | 175.8 | -170.1 | 63.8 | 51.9 | 0 | 0 | 113 | L362 A364 | L362-Q366 VanDerWaalsContact O-CB 3.28Å; L362-Q366 WeakPolarHBondContact O-CB 2.97Å; L362-Q366 PolarHBondContact O-N 3.11Å; A364-Q366 VanDerWaalsContact C-N 3.31Å; A364-Q366 PolarHBondContact O-N 3.43Å |
| 367 | R | 66.4 | Low | 69 | Low | 212 Ų | 212 | 84.9 Ų | 84.9 | 80% | 0.8 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -89.2 | -36.2 | -179.7 | -79.7 | -169.3 | 166.2 | -124.9 | -3 | 114 | R363 A364 M365 | R363-R367 WeakPolarHBondContact O-CG 3.2Å; R363-R367 PolarHBondContact O-N 3.24Å; A364-R367 PolarHBondContact O-N 2.99Å; A364-R367 VanDerWaalsContact O-N 3.14Å; M365-R367 VanDerWaalsContact C-N 3.28Å; M365-R367 PolarHBondContact O-N 2.99Å |
| 368 | Q | 59.4 | Low | 67.6 | Low | 90 Ų | 90 | 87.4 Ų | 87.4 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -113.3 | -18.1 | -168.7 | -153.9 | 66.7 | 20.4 | 0 | 0 | 114 | A364 Q374 V375 | A364-Q368 PolarHBondContact O-N 2.95Å; Q368-Q374 HydrophobicContact CG-CB 4.06Å; Q368-V375 HydrophobicContact CB-CG2 4.38Å |
| 369 | G | 63.1 | Low | 66.2 | Low | 41 Ų | 41 | 84.9 Ų | 84.9 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | trans | 70.7 | 123 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | M365 N371 | M365-G369 WeakPolarHBondContact O-CA 3.5Å; M365-G369 PolarHBondContact O-N 3.02Å; G369-N371 PolarHBondContact O-N 2.96Å | ||
| 370 | Q | 57 | Low | 64.9 | Low | 125 Ų | 125 | 83.2 Ų | 83.2 | 58% | 0.584 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 38.6 | -3.4 | 160.8 | -83.7 | 165.6 | 2.7 | 0 | 0 | 123.1 | E344 | E344-Q370 HydrophobicContact CG-CG 3.89Å; E344-Q370 PolarHBondContact OE1-NE2 2.92Å |
| 371 | N | 57.6 | Low | 63.5 | Low | 73 Ų | 73 | 84.9 Ų | 84.9 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | trans | -103.7 | 111.2 | -179.5 | -165.8 | -79 | 0 | 0 | 0 | 111.4 | G369 E373 Q374 V375 | G369-N371 PolarHBondContact O-N 2.96Å; N371-E373 PolarHBondContact O-N 3.3Å; N371-E373 PolarHBondContact OD1-N 3.44Å; N371-Q374 HydrophobicContact CB-CB 4.38Å; N371-Q374 HydrophobicContact CB-CG 4.32Å; N371-Q374 PolarHBondContact O-N 2.97Å; N371-Q374 PolarHBondContact OD1-N 3.09Å; N371-V375 PolarHBondContact O-N 2.92Å | ||
| 372 | V | 57.2 | Low | 61.8 | Low | 66 Ų | 66 | 88.1 Ų | 88.1 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.9 | -36.5 | -176.9 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | C347 S376 | C347-V372 HydrophobicContact CB-CG2 4.25Å; V372-S376 WeakPolarHBondContact O-CB 3.42Å; V372-S376 PolarHBondContact O-N 2.88Å; V372-S376 VanDerWaalsContact O-N 3.08Å |
| 373 | E | 57.2 | Low | 60.5 | Low | 129 Ų | 129 | 90.6 Ų | 90.6 | 60% | 0.603 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -73.5 | -45.4 | -175.8 | -59.7 | -165.8 | 154.2 | 0 | 0 | 111.2 | N371 V375 S376 Y377 | N371-E373 PolarHBondContact O-N 3.3Å; N371-E373 PolarHBondContact OD1-N 3.44Å; E373-V375 VanDerWaalsContact C-N 3.28Å; E373-V375 PolarHBondContact O-N 3.01Å; E373-S376 PolarHBondContact O-N 3.37Å; E373-S376 VanDerWaalsContact O-N 3.1Å; E373-Y377 HydrophobicContact CB-CD2 4.23Å; E373-Y377 HydrophobicContact CB-CE2 4.07Å; E373-Y377 WeakPolarHBondContact O-CD2 3.49Å; E373-Y377 PolarHBondContact O-N 3.18Å |
| 374 | Q | 55.6 | Low | 59 | Low | 97 Ų | 97 | 86.7 Ų | 86.7 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 177.3 | -69.2 | -171.3 | -1.3 | 0 | 0 | 112.8 | Q368 N371 Q378 | Q368-Q374 HydrophobicContact CG-CB 4.06Å; N371-Q374 HydrophobicContact CB-CB 4.38Å; N371-Q374 HydrophobicContact CB-CG 4.32Å; N371-Q374 PolarHBondContact O-N 2.97Å; N371-Q374 PolarHBondContact OD1-N 3.09Å; Q374-Q378 PolarHBondContact O-N 3.45Å |
| 375 | V | 56.7 | Low | 57.6 | Low | 5 Ų | 5 | 89.1 Ų | 89.1 | 3% | 0.03 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L351 A364 Q368 N371 E373 N379 | L351-V375 HydrophobicContact CD1-CG1 4.06Å; A364-V375 HydrophobicContact CB-CG1 3.56Å; A364-V375 HydrophobicContact CB-CG2 4.31Å; Q368-V375 HydrophobicContact CB-CG2 4.38Å; N371-V375 PolarHBondContact O-N 2.92Å; E373-V375 VanDerWaalsContact C-N 3.28Å; E373-V375 PolarHBondContact O-N 3.01Å; V375-N379 PolarHBondContact O-N 2.93Å; V375-N379 PolarHBondContact O-ND2 2.96Å |
| 376 | S | 57.7 | Low | 56.1 | Low | 25 Ų | 25 | 92.2 Ų | 92.2 | 18% | 0.175 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -70.1 | -47.1 | 178.6 | -169.7 | 0 | 0 | 0 | 0 | 112 | V372 E373 Q378 N379 I380 | V372-S376 WeakPolarHBondContact O-CB 3.42Å; V372-S376 PolarHBondContact O-N 2.88Å; V372-S376 VanDerWaalsContact O-N 3.08Å; E373-S376 PolarHBondContact O-N 3.37Å; E373-S376 VanDerWaalsContact O-N 3.1Å; S376-Q378 PolarHBondContact O-N 3.33Å; S376-N379 PolarHBondContact O-N 3.18Å; S376-I380 WeakPolarHBondContact O-CG1 3.36Å; S376-I380 PolarHBondContact O-N 2.89Å |
| 377 | Y | 57.7 | Low | 54.7 | Low | 162 Ų | 162 | 87.4 Ų | 87.4 | 64% | 0.635 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | -178.1 | -75.9 | -68.7 | 0 | 0 | 0 | 112.8 | E373 I380 E381 | E373-Y377 HydrophobicContact CB-CD2 4.23Å; E373-Y377 HydrophobicContact CB-CE2 4.07Å; E373-Y377 WeakPolarHBondContact O-CD2 3.49Å; E373-Y377 PolarHBondContact O-N 3.18Å; Y377-I380 PolarHBondContact O-N 3.15Å; Y377-E381 PolarHBondContact O-N 2.96Å |
| 378 | Q | 56.1 | Low | 53.5 | Low | 106 Ų | 106 | 83.3 Ų | 83.3 | 50% | 0.495 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -74.1 | -29.7 | -178.7 | -145 | -176.6 | 52.4 | 0 | 0 | 113.1 | Q374 S376 I380 E381 C382 | Q374-Q378 PolarHBondContact O-N 3.45Å; S376-Q378 PolarHBondContact O-N 3.33Å; Q378-I380 VanDerWaalsContact C-N 3.35Å; Q378-E381 PolarHBondContact O-N 2.87Å; Q378-C382 WeakPolarHBondContact O-CB 3.46Å; Q378-C382 PolarHBondContact O-N 2.78Å; Q378-C382 PolarHBondContact O-SG 3.45Å |
| 379 | N | 56.5 | Low | 52.6 | Low | 34 Ų | 34 | 84.8 Ų | 84.8 | 18% | 0.182 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 171.5 | -87.9 | -67.1 | 0 | 0 | 0 | 111.4 | Y356 V375 S376 V383 | Y356-N379 HydrophobicContact CE1-CB 4.02Å; V375-N379 PolarHBondContact O-N 2.93Å; V375-N379 PolarHBondContact O-ND2 2.96Å; S376-N379 PolarHBondContact O-N 3.18Å; N379-V383 WeakPolarHBondContact O-CB 3.24Å; N379-V383 WeakPolarHBondContact O-CG2 3.23Å; N379-V383 PolarHBondContact O-N 3.08Å |
| 380 | I | 57.3 | Low | 51.4 | Low | 92 Ų | 92 | 89 Ų | 89 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 175.1 | -64.9 | 165.7 | 0 | 0 | 0 | 110.7 | S376 Y377 Q378 V383 S384 | S376-I380 WeakPolarHBondContact O-CG1 3.36Å; S376-I380 PolarHBondContact O-N 2.89Å; Y377-I380 PolarHBondContact O-N 3.15Å; Q378-I380 VanDerWaalsContact C-N 3.35Å; I380-V383 PolarHBondContact O-N 3.4Å; I380-S384 VanDerWaalsContact O-CB 3.32Å; I380-S384 WeakPolarHBondContact O-CB 3.27Å; I380-S384 PolarHBondContact O-N 3.47Å |
| 381 | E | 50.8 | Low | 50.7 | Low | 131 Ų | 131 | 89.7 Ų | 89.7 | 61% | 0.612 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70 | -37.5 | 179.5 | -155.3 | 176.7 | -167.9 | 0 | 0 | 112.7 | Y377 Q378 S384 T385 | Y377-E381 PolarHBondContact O-N 2.96Å; Q378-E381 PolarHBondContact O-N 2.87Å; E381-S384 PolarHBondContact O-N 2.59Å; E381-T385 PolarHBondContact O-N 2.98Å; E381-T385 PolarHBondContact O-OG1 3.05Å |
| 382 | C | 47.5 | Very low | 49.8 | Very low | 68 Ų | 68 | 93.6 Ų | 93.6 | 46% | 0.459 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 173 | -80.4 | 0 | 0 | 0 | 0 | 112.6 | Q378 T385 C386 | Q378-C382 WeakPolarHBondContact O-CB 3.46Å; Q378-C382 PolarHBondContact O-N 2.78Å; Q378-C382 PolarHBondContact O-SG 3.45Å; C382-T385 WeakPolarHBondContact CA-OG1 3.34Å; C382-T385 PolarHBondContact O-OG1 2.92Å; C382-C386 VanDerWaalsContact O-CB 3.32Å; C382-C386 WeakPolarHBondContact O-CB 3.48Å; C382-C386 PolarHBondContact O-N 3.4Å |
| 383 | V | 55.3 | Low | 48.9 | Very low | 97 Ų | 97 | 100.1 Ų | 100.1 | 59% | 0.588 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.4 | -37.1 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | N379 I380 S387 | N379-V383 WeakPolarHBondContact O-CB 3.24Å; N379-V383 WeakPolarHBondContact O-CG2 3.23Å; N379-V383 PolarHBondContact O-N 3.08Å; I380-V383 PolarHBondContact O-N 3.4Å; V383-S387 VanDerWaalsContact O-CB 3.23Å; V383-S387 WeakPolarHBondContact O-CB 3.3Å; V383-S387 PolarHBondContact O-N 3.32Å |
| 384 | S | 47.8 | Very low | 48.4 | Very low | 58 Ų | 58 | 98.7 Ų | 98.7 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 176.1 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | I380 E381 S387 Q388 | I380-S384 VanDerWaalsContact O-CB 3.32Å; I380-S384 WeakPolarHBondContact O-CB 3.27Å; I380-S384 PolarHBondContact O-N 3.47Å; E381-S384 PolarHBondContact O-N 2.59Å; S384-S387 PolarHBondContact O-N 3.44Å; S384-Q388 WeakPolarHBondContact O-CG 3.4Å; S384-Q388 PolarHBondContact O-N 3.4Å |
| 385 | T | 47 | Very low | 48.1 | Very low | 72 Ų | 72 | 98.7 Ų | 98.7 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.5 | -37.6 | 177.4 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | E381 C382 Q388 L389 | E381-T385 PolarHBondContact O-N 2.98Å; E381-T385 PolarHBondContact O-OG1 3.05Å; C382-T385 WeakPolarHBondContact CA-OG1 3.34Å; C382-T385 PolarHBondContact O-OG1 2.92Å; T385-Q388 PolarHBondContact O-N 3.11Å; T385-L389 PolarHBondContact O-N 3.07Å; T385-L389 VanDerWaalsContact O-N 3.12Å |
| 386 | C | 41.9 | Very low | 47.6 | Very low | 85 Ų | 85 | 103.9 Ų | 103.9 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.8 | -35.2 | 172.3 | -84.9 | 0 | 0 | 0 | 0 | 112.9 | C382 L389 N390 | C382-C386 VanDerWaalsContact O-CB 3.32Å; C382-C386 WeakPolarHBondContact O-CB 3.48Å; C382-C386 PolarHBondContact O-N 3.4Å; C386-L389 PolarHBondContact O-N 2.9Å; C386-N390 PolarHBondContact O-N 3.19Å |
| 387 | S | 43 | Very low | 47 | Very low | 68 Ų | 68 | 108.6 Ų | 108.6 | 48% | 0.476 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.1 | -31.6 | 177.6 | -155.8 | 0 | 0 | 0 | 0 | 112.4 | V383 S384 | V383-S387 VanDerWaalsContact O-CB 3.23Å; V383-S387 WeakPolarHBondContact O-CB 3.3Å; V383-S387 PolarHBondContact O-N 3.32Å; S384-S387 PolarHBondContact O-N 3.44Å |
| 388 | Q | 41.9 | Very low | 46.3 | Very low | 126 Ų | 126 | 105.3 Ų | 105.3 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.2 | -34 | 172.9 | -75.4 | -178.8 | 12.9 | 0 | 0 | 112.8 | S384 T385 N390 I391 | S384-Q388 WeakPolarHBondContact O-CG 3.4Å; S384-Q388 PolarHBondContact O-N 3.4Å; T385-Q388 PolarHBondContact O-N 3.11Å; Q388-N390 VanDerWaalsContact C-N 3.35Å; Q388-I391 PolarHBondContact O-N 3Å |
| 389 | L | 39.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 105.2 Ų | 105.2 | 63% | 0.634 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70 | -28.8 | 174.9 | -103.7 | 117.5 | 0 | 0 | 0 | 113.3 | T385 C386 I391 L392 | T385-L389 PolarHBondContact O-N 3.07Å; T385-L389 VanDerWaalsContact O-N 3.12Å; C386-L389 PolarHBondContact O-N 2.9Å; L389-I391 VanDerWaalsContact C-N 3.32Å; L389-I391 PolarHBondContact O-N 3.27Å; L389-L392 PolarHBondContact O-N 3.47Å |
| 390 | N | 38.4 | Very low | 44.9 | Very low | 130 Ų | 130 | 110.3 Ų | 110.3 | 70% | 0.695 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -6.8 | 177.3 | -105.7 | -23.8 | 0 | 0 | 0 | 114.6 | C386 Q388 | C386-N390 PolarHBondContact O-N 3.19Å; Q388-N390 VanDerWaalsContact C-N 3.35Å |
| 391 | I | 41.2 | Very low | 43.9 | Very low | 139 Ų | 139 | 111.7 Ų | 111.7 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -11.1 | 174.1 | -68 | 169.7 | 0 | 0 | 0 | 111.2 | Q388 L389 | Q388-I391 PolarHBondContact O-N 3Å; L389-I391 VanDerWaalsContact C-N 3.32Å; L389-I391 PolarHBondContact O-N 3.27Å |
| 392 | L | 39.8 | Very low | 43.4 | Very low | 155 Ų | 155 | 110.1 Ų | 110.1 | 81% | 0.812 | 62% | 0.62 | S | S | * | * | trans | -108.5 | 6.2 | -175.8 | -95.4 | 155.8 | 0 | 0 | 0 | 114.6 | L389 | L389-L392 PolarHBondContact O-N 3.47Š| ||
| 393 | L | 36.6 | Very low | 43 | Very low | 202 Ų | 202 | 113.9 Ų | 113.9 | 100% | 1.058 | 64% | 0.635 | S | S | * | * | trans | -116.1 | 0 | 168 | -86.9 | 156 | 0 | 0 | 0 | 109 |
Retrieved 393 of 393 residues in 61 ms
(Link to these results)