| 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 | 44.9 | Very low | 68.3 | Low | 246 Ų | 246 | 135.5 Ų | 135.5 | 100% | 1.212 | 69% | 0.694 | S | S | * | * | 0 | 100.1 | 0 | -117 | 167.2 | -178.3 | 0 | 0 | 108.4 | K3 | M1-K3 PolarHBondContact O-N 3.37Š| |||
| 2 | A | 58.9 | Low | 69.6 | Low | 95 Ų | 95 | 139.7 Ų | 139.7 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | R4 | A2-R4 PolarHBondContact O-N 3.23Š|
| 3 | K | 66.1 | Low | 70.8 | Confident | 211 Ų | 211 | 140.5 Ų | 140.5 | 92% | 0.917 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 116.5 | 174 | -67.9 | 179.1 | 176.8 | 179.1 | 0 | 107.9 | M1 | M1-K3 PolarHBondContact O-N 3.37Š|
| 4 | R | 59.6 | Low | 71.3 | Confident | 142 Ų | 142 | 133.3 Ų | 133.3 | 54% | 0.536 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -72 | 150.6 | 178.9 | -59.5 | -176.5 | 178 | 134.9 | -12.8 | 110.1 | A2 L19 | A2-R4 PolarHBondContact O-N 3.23Å; R4-L19 HydrophobicContact CB-CD1 4.42Å; R4-L19 HydrophobicContact CG-CD1 4Å |
| 5 | R | 70.6 | Confident | 71.9 | Confident | 163 Ų | 163 | 137.3 Ų | 137.3 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -76 | 155.7 | 177.2 | -73.6 | -171.9 | 176.5 | -177.3 | 4.9 | 110.4 | D7 | R5-D7 WeakPolarHBondContact CB-OD1 3.28Å; R5-D7 PolarHBondContact O-N 3Å |
| 6 | A | 71.5 | Confident | 72.6 | Confident | 109 Ų | 109 | 138 Ų | 138 | 90% | 0.901 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 7 | D | 75.7 | Confident | 72.8 | Confident | 109 Ų | 109 | 136.7 Ų | 136.7 | 58% | 0.583 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -13.7 | -176.9 | 52.4 | -8.6 | 0 | 0 | 0 | 113.6 | R5 | R5-D7 WeakPolarHBondContact CB-OD1 3.28Å; R5-D7 PolarHBondContact O-N 3Å |
| 8 | I | 73 | Confident | 72.7 | Confident | 78 Ų | 78 | 137.6 Ų | 137.6 | 40% | 0.4 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -129.9 | 107.6 | -179.2 | -66.9 | 164.9 | 0 | 0 | 0 | 108.9 | N14 L19 | I8-N14 WeakPolarHBondContact CG2-ND2 3.44Å; I8-L19 HydrophobicContact CD1-CD2 3.86Å |
| 9 | E | 73.9 | Confident | 72.3 | Confident | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -69.8 | 137.9 | 171 | -69.2 | -171.9 | 169.3 | 0 | 0 | 110.4 | N14 | E9-N14 PolarHBondContact O-ND2 3.48Š| ||
| 10 | L | 75.3 | Confident | 72 | Confident | 73 Ų | 73 | 140.2 Ų | 140.2 | 38% | 0.382 | 69% | 0.692 | S | S | . | * | trans | -83.1 | 115.4 | 169.2 | -90.7 | 103.3 | 0 | 0 | 0 | 110.1 | W15 | L10-W15 HydrophobicContact CD2-CB 4.45Å; L10-W15 HydrophobicContact CD2-CG 4.37Å | ||
| 11 | N | 81.8 | Confident | 71.6 | Confident | 90 Ų | 90 | 139.6 Ų | 139.6 | 48% | 0.481 | 70% | 0.697 | S | S | . | * | trans | -108.1 | 171.2 | 164.2 | 54.7 | 14 | 0 | 0 | 0 | 109.7 | D13 N14 W15 | N11-D13 PolarHBondContact O-N 3.49Å; N11-D13 VanDerWaalsContact O-N 3.1Å; N11-N14 PolarHBondContact O-N 3.37Å; N11-N14 VanDerWaalsContact O-N 3.15Å; N11-N14 WeakPolarHBondContact OD1-CB 3.2Å; N11-N14 PolarHBondContact OD1-N 3.43Å; N11-W15 PolarHBondContact O-N 2.98Å | ||
| 12 | Q | 84.3 | Confident | 72.6 | Confident | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -24.1 | -178.1 | -172.2 | 168 | -6.1 | 0 | 0 | 112.9 | ||
| 13 | D | 84.1 | Confident | 72.8 | Confident | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -23.4 | -179.2 | -58.4 | -33.9 | 0 | 0 | 0 | 113.8 | N11 | N11-D13 PolarHBondContact O-N 3.49Å; N11-D13 VanDerWaalsContact O-N 3.1Å |
| 14 | N | 78.7 | Confident | 72.9 | Confident | 39 Ų | 39 | 133.7 Ų | 133.7 | 21% | 0.209 | 67% | 0.667 | C | S | . | * | S | Bend | trans | -108.9 | 18.2 | -175.3 | -174 | 32.9 | 0 | 0 | 0 | 112.8 | I8 E9 N11 D17 | I8-N14 WeakPolarHBondContact CG2-ND2 3.44Å; E9-N14 PolarHBondContact O-ND2 3.48Å; N11-N14 PolarHBondContact O-N 3.37Å; N11-N14 VanDerWaalsContact O-N 3.15Å; N11-N14 WeakPolarHBondContact OD1-CB 3.2Å; N11-N14 PolarHBondContact OD1-N 3.43Å; N14-D17 WeakPolarHBondContact OD1-CB 3.33Å; N14-D17 PolarHBondContact OD1-OD2 2.92Å |
| 15 | W | 80.6 | Confident | 73.4 | Confident | 193 Ų | 193 | 129.7 Ų | 129.7 | 73% | 0.731 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -68.9 | -37.9 | -178.8 | -172.7 | -56.8 | 0 | 0 | 0 | 112 | L10 N11 | L10-W15 HydrophobicContact CD2-CB 4.45Å; L10-W15 HydrophobicContact CD2-CG 4.37Å; N11-W15 PolarHBondContact O-N 2.98Å |
| 16 | D | 82.7 | Confident | 73.7 | Confident | 149 Ų | 149 | 129.7 Ų | 129.7 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -99.6 | 2.4 | -172.6 | -153.8 | 22.1 | 0 | 0 | 0 | 113.6 | D18 | D16-D18 PolarHBondContact O-N 2.97Š|
| 17 | D | 76 | Confident | 73.7 | Confident | 116 Ų | 116 | 134.4 Ų | 134.4 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | trans | -75.8 | 108.7 | 177.8 | -103.1 | 1.2 | 0 | 0 | 0 | 109.2 | N14 L19 | N14-D17 WeakPolarHBondContact OD1-CB 3.33Å; N14-D17 PolarHBondContact OD1-OD2 2.92Å; D17-L19 PolarHBondContact O-N 2.85Å; D17-L19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | D | 70.6 | Confident | 73.8 | Confident | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -56.6 | 115.1 | 173.5 | -80.5 | -36.3 | 0 | 0 | 0 | 109.7 | D16 R20 | D16-D18 PolarHBondContact O-N 2.97Å; D18-R20 PolarHBondContact O-N 2.92Å | ||
| 19 | L | 65.1 | Low | 74.3 | Confident | 93 Ų | 93 | 141.9 Ų | 141.9 | 49% | 0.487 | 72% | 0.715 | S | S | . | * | trans | -52 | 100.5 | 176.9 | -84 | 163 | 0 | 0 | 0 | 109.7 | R4 I8 D17 T21 | R4-L19 HydrophobicContact CB-CD1 4.42Å; R4-L19 HydrophobicContact CG-CD1 4Å; I8-L19 HydrophobicContact CD1-CD2 3.86Å; D17-L19 PolarHBondContact O-N 2.85Å; D17-L19 VanDerWaalsContact O-N 3.08Å; L19-T21 PolarHBondContact O-N 2.64Å | ||
| 20 | R | 67.2 | Low | 74.6 | Confident | 235 Ų | 235 | 135.5 Ų | 135.5 | 89% | 0.887 | 69% | 0.692 | S | S | * | * | trans | -62.1 | 102.5 | 170.9 | -67.1 | -174.2 | -175.8 | -145 | 1.1 | 107.4 | D18 T22 | D18-R20 PolarHBondContact O-N 2.92Å; R20-T22 VanDerWaalsContact C-N 3.31Å; R20-T22 PolarHBondContact O-N 2.95Å | ||
| 21 | T | 63.6 | Low | 75 | Confident | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | trans | -61.2 | 99.3 | 171.4 | 53.3 | 0 | 0 | 0 | 0 | 107.2 | L19 T23 | L19-T21 PolarHBondContact O-N 2.64Å; T21-T23 PolarHBondContact O-N 3.17Å; T21-T23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | T | 64.9 | Low | 75 | Confident | 122 Ų | 122 | 142.5 Ų | 142.5 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -69.6 | 111.3 | 169.4 | -57.3 | 0 | 0 | 0 | 0 | 105.1 | R20 K24 | R20-T22 VanDerWaalsContact C-N 3.31Å; R20-T22 PolarHBondContact O-N 2.95Å; T22-K24 PolarHBondContact O-N 2.93Å; T22-K24 VanDerWaalsContact O-N 3.14Å | ||
| 23 | T | 64.3 | Low | 75 | Confident | 123 Ų | 123 | 140.6 Ų | 140.6 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 120.6 | 170.8 | 43 | 0 | 0 | 0 | 0 | 107.3 | T21 G25 | T21-T23 PolarHBondContact O-N 3.17Å; T21-T23 VanDerWaalsContact O-N 3.09Å; T23-G25 PolarHBondContact O-N 2.83Å |
| 24 | K | 68 | Low | 74.8 | Confident | 182 Ų | 182 | 137.6 Ų | 137.6 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 116.5 | 171 | -82.1 | -177.1 | 174.2 | -176.7 | 0 | 106.3 | T22 D26 | T22-K24 PolarHBondContact O-N 2.93Å; T22-K24 VanDerWaalsContact O-N 3.14Å; K24-D26 PolarHBondContact O-N 3.11Å |
| 25 | G | 70.4 | Confident | 74.7 | Confident | 59 Ų | 59 | 139.1 Ų | 139.1 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 132.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | T23 F27 | T23-G25 PolarHBondContact O-N 2.83Å; G25-F27 PolarHBondContact O-N 3.47Å |
| 26 | D | 75.4 | Confident | 74.6 | Confident | 162 Ų | 162 | 134.3 Ų | 134.3 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 124.6 | 166.1 | -104.4 | -18.9 | 0 | 0 | 0 | 107.2 | K24 D28 | K24-D26 PolarHBondContact O-N 3.11Å; D26-D28 PolarHBondContact O-N 2.97Å |
| 27 | F | 72.3 | Confident | 74.6 | Confident | 209 Ų | 209 | 134.4 Ų | 134.4 | 92% | 0.917 | 70% | 0.695 | S | S | * | * | trans | -75.3 | 106.8 | 172.9 | -92.5 | -90.5 | 0 | 0 | 0 | 107.9 | G25 K29 | G25-F27 PolarHBondContact O-N 3.47Å; F27-K29 PolarHBondContact O-N 3.35Å; F27-K29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | D | 78.6 | Confident | 74.9 | Confident | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | trans | -64.1 | 115.2 | 168.1 | -81.1 | -33.9 | 0 | 0 | 0 | 109.2 | D26 A30 | D26-D28 PolarHBondContact O-N 2.97Å; D28-A30 PolarHBondContact O-N 2.94Å | ||
| 29 | K | 81.9 | Confident | 75.4 | Confident | 186 Ų | 186 | 138.6 Ų | 138.6 | 81% | 0.809 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 121.8 | 174.6 | -172.9 | 177.3 | -178.6 | -179.3 | 0 | 107.9 | F27 | F27-K29 PolarHBondContact O-N 3.35Å; F27-K29 VanDerWaalsContact O-N 3.15Å |
| 30 | A | 79.8 | Confident | 75.9 | Confident | 41 Ų | 41 | 140 Ų | 140 | 34% | 0.339 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 146.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D28 I34 L35 | D28-A30 PolarHBondContact O-N 2.94Å; A30-I34 HydrophobicContact CB-CB 4.29Å; A30-I34 HydrophobicContact CB-CG2 4.29Å; A30-L35 HydrophobicContact CB-CG 4.44Å; A30-L35 VanDerWaalsContact O-CD1 3.27Å; A30-L35 WeakPolarHBondContact O-CD1 3.29Å |
| 31 | D | 84.3 | Confident | 76.2 | Confident | 122 Ų | 122 | 135.6 Ų | 135.6 | 65% | 0.652 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 149 | 177.1 | -76.4 | -37.3 | 0 | 0 | 0 | 111.8 | E33 I34 L35 | D31-E33 PolarHBondContact O-N 2.83Å; D31-I34 HydrophobicContact CB-CD1 4.34Å; D31-I34 HydrophobicContact CB-CG1 4.42Å; D31-I34 PolarHBondContact O-N 3.22Å; D31-L35 PolarHBondContact O-N 3.22Å |
| 32 | K | 82.9 | Confident | 76.6 | Confident | 187 Ų | 187 | 135 Ų | 135 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -57.4 | -27.4 | -174.4 | -165.6 | 178.2 | 179.6 | -174.1 | 0 | 112.8 | S36 | K32-S36 PolarHBondContact O-N 3.39Å; K32-S36 VanDerWaalsContact O-N 3.13Å; K32-S36 PolarHBondContact O-OG 3.12Å |
| 33 | E | 83.1 | Confident | 76.9 | Confident | 145 Ų | 145 | 133.8 Ų | 133.8 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -74.9 | -33.9 | 176.8 | -167 | 167.9 | -163.3 | 0 | 0 | 113 | D31 S36 Q37 | D31-E33 PolarHBondContact O-N 2.83Å; E33-S36 PolarHBondContact O-OG 2.96Å; E33-Q37 WeakPolarHBondContact O-CG 3.31Å; E33-Q37 PolarHBondContact O-N 3.12Å |
| 34 | I | 79.6 | Confident | 76.9 | Confident | 89 Ų | 89 | 138.6 Ų | 138.6 | 46% | 0.456 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -74.7 | -37.5 | 174.9 | -56.5 | 174.3 | 0 | 0 | 0 | 109.9 | A30 D31 S36 Q37 R38 | A30-I34 HydrophobicContact CB-CB 4.29Å; A30-I34 HydrophobicContact CB-CG2 4.29Å; D31-I34 HydrophobicContact CB-CD1 4.34Å; D31-I34 HydrophobicContact CB-CG1 4.42Å; D31-I34 PolarHBondContact O-N 3.22Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-S36 PolarHBondContact O-N 2.94Å; I34-Q37 PolarHBondContact O-N 3.31Å; I34-R38 PolarHBondContact O-N 3.35Å |
| 35 | L | 77.2 | Confident | 76.2 | Confident | 71 Ų | 71 | 134.8 Ų | 134.8 | 37% | 0.372 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -64.4 | -34.8 | 174.6 | -83.3 | 162.1 | 0 | 0 | 0 | 112.7 | A30 D31 | A30-L35 HydrophobicContact CB-CG 4.44Å; A30-L35 VanDerWaalsContact O-CD1 3.27Å; A30-L35 WeakPolarHBondContact O-CD1 3.29Å; D31-L35 PolarHBondContact O-N 3.22Å |
| 36 | S | 78.1 | Confident | 75.4 | Confident | 91 Ų | 91 | 138.8 Ų | 138.8 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -74.8 | -27.2 | 179.3 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | K32 E33 I34 | K32-S36 PolarHBondContact O-N 3.39Å; K32-S36 VanDerWaalsContact O-N 3.13Å; K32-S36 PolarHBondContact O-OG 3.12Å; E33-S36 PolarHBondContact O-OG 2.96Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-S36 PolarHBondContact O-N 2.94Å |
| 37 | Q | 84.2 | Confident | 74.2 | Confident | 152 Ų | 152 | 138.4 Ų | 138.4 | 71% | 0.71 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -75.9 | -21.3 | 175.5 | -70.1 | 177.5 | -3.6 | 0 | 0 | 113.2 | E33 I34 K39 | E33-Q37 WeakPolarHBondContact O-CG 3.31Å; E33-Q37 PolarHBondContact O-N 3.12Å; I34-Q37 PolarHBondContact O-N 3.31Å; Q37-K39 PolarHBondContact O-N 3.19Å |
| 38 | R | 80.7 | Confident | 73.4 | Confident | 177 Ų | 177 | 134 Ų | 134 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -76.8 | 114.7 | 174.4 | -94.3 | -179.6 | 168.1 | 159.7 | -2.7 | 110.9 | I34 I40 | I34-R38 PolarHBondContact O-N 3.35Å; R38-I40 PolarHBondContact O-N 3.44Å |
| 39 | K | 81.1 | Confident | 72.1 | Confident | 178 Ų | 178 | 132.7 Ų | 132.7 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | trans | -71.9 | 86.5 | 172.1 | -168.4 | -179.1 | -176 | -176.9 | 0 | 110.5 | Q37 L41 | Q37-K39 PolarHBondContact O-N 3.19Å; K39-L41 HydrophobicContact CG-CD2 4.41Å; K39-L41 HydrophobicContact CG-CG 4.35Å; K39-L41 PolarHBondContact O-N 2.79Å; K39-L41 VanDerWaalsContact O-N 3.07Å | ||
| 40 | I | 76.5 | Confident | 70.3 | Confident | 123 Ų | 123 | 129.5 Ų | 129.5 | 63% | 0.631 | 67% | 0.671 | S | S | * | * | trans | -76.9 | 94.6 | 173.7 | -55.6 | 175.1 | 0 | 0 | 0 | 108.4 | R38 T42 | R38-I40 PolarHBondContact O-N 3.44Å; I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3.02Å | ||
| 41 | L | 73.8 | Confident | 68.7 | Low | 143 Ų | 143 | 130.8 Ų | 130.8 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | -70.4 | 92.7 | 171 | -71.7 | 172.7 | 0 | 0 | 0 | 109.1 | K39 A43 | K39-L41 HydrophobicContact CG-CD2 4.41Å; K39-L41 HydrophobicContact CG-CG 4.35Å; K39-L41 PolarHBondContact O-N 2.79Å; K39-L41 VanDerWaalsContact O-N 3.07Å; L41-A43 PolarHBondContact O-N 2.89Å | ||
| 42 | T | 71.7 | Confident | 67 | Low | 115 Ų | 115 | 130.8 Ų | 130.8 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -81.6 | 116.1 | 169.5 | -56.2 | 0 | 0 | 0 | 0 | 107.8 | I40 R44 | I40-T42 VanDerWaalsContact C-N 3.34Å; I40-T42 PolarHBondContact O-N 3.02Å; T42-R44 PolarHBondContact O-N 3.04Å | ||
| 43 | A | 71 | Confident | 65.1 | Low | 96 Ų | 96 | 126.2 Ų | 126.2 | 79% | 0.793 | 68% | 0.684 | S | S | * | * | trans | -61.6 | 104.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | L41 T45 | L41-A43 PolarHBondContact O-N 2.89Å; A43-T45 PolarHBondContact O-N 3.45Å | ||
| 44 | R | 64.5 | Low | 63.7 | Low | 225 Ų | 225 | 120.8 Ų | 120.8 | 85% | 0.849 | 67% | 0.667 | S | S | * | * | trans | -73.4 | 96.7 | 176.6 | -172.6 | 172.8 | 179.5 | 170.1 | 0.3 | 108.6 | T42 | T42-R44 PolarHBondContact O-N 3.04Š| ||
| 45 | T | 53.1 | Low | 62.8 | Low | 101 Ų | 101 | 123.6 Ų | 123.6 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | trans | -76.7 | 118.8 | 165.2 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | A43 R47 | A43-T45 PolarHBondContact O-N 3.45Å; T45-R47 VanDerWaalsContact C-N 3.26Å; T45-R47 PolarHBondContact O-N 3.27Å | ||
| 46 | N | 54.1 | Low | 61.9 | Low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | -71.2 | 85.6 | 168.2 | -85.1 | -7.2 | 0 | 0 | 0 | 108.3 | ||||
| 47 | R | 50.3 | Low | 60.7 | Low | 154 Ų | 154 | 131.4 Ų | 131.4 | 58% | 0.581 | 70% | 0.702 | S | S | * | * | trans | -133.9 | 106.5 | 167.9 | -69.3 | -173.3 | -170 | -146.1 | 2.4 | 110.1 | T45 S53 | T45-R47 VanDerWaalsContact C-N 3.26Å; T45-R47 PolarHBondContact O-N 3.27Å; R47-S53 PolarHBondContact NH1-O 3.18Å | ||
| 48 | T | 55.6 | Low | 59.2 | Low | 115 Ų | 115 | 129.5 Ų | 129.5 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | -49.2 | 138.4 | 159.5 | 37.1 | 0 | 0 | 0 | 0 | 110.6 | T50 | T48-T50 PolarHBondContact O-N 2.67Š| ||
| 49 | P | 50.6 | Low | 57.7 | Low | 131 Ų | 131 | 128.4 Ų | 128.4 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -80.9 | 72.6 | -176.8 | 35 | -33.9 | 0 | 0 | 0 | 109.4 | ||
| 50 | T | 43.6 | Very low | 56.7 | Low | 120 Ų | 120 | 124.8 Ų | 124.8 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | trans | -158.4 | 120 | 177.8 | 6.1 | 0 | 0 | 0 | 0 | 109 | T48 | T48-T50 PolarHBondContact O-N 2.67Š| ||
| 51 | G | 47.7 | Very low | 55.6 | Low | 67 Ų | 67 | 121.6 Ų | 121.6 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | trans | 101.4 | 123.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S53 | G51-S53 VanDerWaalsContact C-N 3.31Å; G51-S53 PolarHBondContact O-N 2.79Å | ||
| 52 | T | 47.4 | Very low | 55.1 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -68.7 | 73.1 | -179.7 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | K57 | T52-K57 WeakPolarHBondContact O-CE 3.48Å; T52-K57 PolarHBondContact O-NZ 3.48Å |
| 53 | S | 43.7 | Very low | 54.1 | Low | 90 Ų | 90 | 122.5 Ų | 122.5 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | trans | -141.1 | 64.8 | 178.8 | 50.7 | 0 | 0 | 0 | 0 | 112 | R47 G51 | R47-S53 PolarHBondContact NH1-O 3.18Å; G51-S53 VanDerWaalsContact C-N 3.31Å; G51-S53 PolarHBondContact O-N 2.79Å | ||
| 54 | G | 52.5 | Low | 52.9 | Low | 32 Ų | 32 | 124.8 Ų | 124.8 | 33% | 0.33 | 69% | 0.69 | S | S | . | * | trans | -99.1 | 134.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F56 K57 | G54-F56 PolarHBondContact O-N 3.45Å; G54-K57 PolarHBondContact O-N 3.45Å | ||
| 55 | L | 61.2 | Low | 51.6 | Low | 147 Ų | 147 | 120.7 Ų | 120.7 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 0.9 | 175.2 | -64.4 | 157.1 | 0 | 0 | 0 | 113.8 | ||
| 56 | F | 58.1 | Low | 51.3 | Low | 187 Ų | 187 | 119.5 Ų | 119.5 | 82% | 0.82 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 2.8 | 174.2 | -56.3 | -77.7 | 0 | 0 | 0 | 113.4 | G54 S58 F59 | G54-F56 PolarHBondContact O-N 3.45Å; F56-S58 PolarHBondContact O-N 2.98Å; F56-F59 PolarHBondContact O-N 2.95Å |
| 57 | K | 54.4 | Low | 50.8 | Low | 140 Ų | 140 | 124.1 Ų | 124.1 | 61% | 0.609 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -10.9 | 170.4 | -78.1 | -174.8 | 166.4 | -173.5 | 0 | 113.9 | T52 G54 F59 | T52-K57 WeakPolarHBondContact O-CE 3.48Å; T52-K57 PolarHBondContact O-NZ 3.48Å; G54-K57 PolarHBondContact O-N 3.45Å; K57-F59 VanDerWaalsContact C-N 3.26Å; K57-F59 PolarHBondContact O-N 3.04Å |
| 58 | S | 51.7 | Low | 50.3 | Low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -1.4 | 175.3 | -168.9 | 0 | 0 | 0 | 0 | 113.9 | F56 T60 | F56-S58 PolarHBondContact O-N 2.98Å; S58-T60 PolarHBondContact O-N 3.28Å |
| 59 | F | 49.6 | Very low | 50 | Low | 154 Ų | 154 | 122 Ų | 122 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | trans | -96.4 | 78.1 | 175.4 | -160.4 | -100.2 | 0 | 0 | 0 | 110.1 | F56 K57 A61 F62 | F56-F59 PolarHBondContact O-N 2.95Å; K57-F59 VanDerWaalsContact C-N 3.26Å; K57-F59 PolarHBondContact O-N 3.04Å; F59-A61 VanDerWaalsContact C-N 3.26Å; F59-A61 HydrophobicContact CD1-CB 4.17Å; F59-A61 HydrophobicContact CD2-CB 4.38Å; F59-A61 HydrophobicContact CE1-CB 3.8Å; F59-A61 HydrophobicContact CE2-CB 4.02Å; F59-A61 HydrophobicContact CG-CB 4.46Å; F59-A61 HydrophobicContact CZ-CB 3.72Å; F59-F62 HydrophobicContact CE1-CD2 4.03Å; F59-F62 HydrophobicContact CE1-CE2 4.06Å; F59-F62 HydrophobicContact CZ-CE2 4.36Å | ||
| 60 | T | 60 | Low | 50.2 | Low | 101 Ų | 101 | 121.6 Ų | 121.6 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | trans | -89.7 | 18.8 | 173.6 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | S58 F62 S63 | S58-T60 PolarHBondContact O-N 3.28Å; T60-F62 PolarHBondContact O-N 3.4Å; T60-S63 PolarHBondContact O-N 2.83Å | ||
| 61 | A | 53.4 | Low | 50.6 | Low | 57 Ų | 57 | 121.5 Ų | 121.5 | 47% | 0.471 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67 | 0.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | F59 | F59-A61 VanDerWaalsContact C-N 3.26Å; F59-A61 HydrophobicContact CD1-CB 4.17Å; F59-A61 HydrophobicContact CD2-CB 4.38Å; F59-A61 HydrophobicContact CE1-CB 3.8Å; F59-A61 HydrophobicContact CE2-CB 4.02Å; F59-A61 HydrophobicContact CG-CB 4.46Å; F59-A61 HydrophobicContact CZ-CB 3.72Å |
| 62 | F | 62.6 | Low | 51 | Low | 187 Ų | 187 | 123.6 Ų | 123.6 | 82% | 0.82 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.3 | 12.3 | -178.9 | -73.3 | -78.1 | 0 | 0 | 0 | 114.8 | F59 T60 | F59-F62 HydrophobicContact CE1-CD2 4.03Å; F59-F62 HydrophobicContact CE1-CE2 4.06Å; F59-F62 HydrophobicContact CZ-CE2 4.36Å; T60-F62 PolarHBondContact O-N 3.4Å |
| 63 | S | 51.6 | Low | 51.4 | Low | 89 Ų | 89 | 126.4 Ų | 126.4 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -140.1 | 58 | -174.3 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | T60 | T60-S63 PolarHBondContact O-N 2.83Š|
| 64 | D | 44.7 | Very low | 52 | Low | 145 Ų | 145 | 129.7 Ų | 129.7 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | -175.6 | 97.5 | 135.7 | -135.5 | -22.4 | 0 | 0 | 0 | 109.9 | S66 | D64-S66 PolarHBondContact O-N 3.32Š| ||
| 65 | C | 37.6 | Very low | 51.8 | Low | 138 Ų | 138 | 138.2 Ų | 138.2 | 93% | 0.932 | 75% | 0.752 | S | S | * | * | trans | -95.7 | 72.9 | 172.1 | -67 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 66 | S | 47.3 | Very low | 51.9 | Low | 77 Ų | 77 | 133.7 Ų | 133.7 | 54% | 0.538 | 74% | 0.741 | S | S | . | * | trans | -153.4 | 108.1 | 170.2 | 157.1 | 0 | 0 | 0 | 0 | 109.5 | D64 | D64-S66 PolarHBondContact O-N 3.32Š| ||
| 67 | R | 44.3 | Very low | 52.1 | Low | 240 Ų | 240 | 131 Ų | 131 | 91% | 0.906 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 97 | 123.6 | 167.3 | -61.2 | 161.9 | -176.3 | -145.7 | -5 | 114.9 | ||
| 68 | G | 39.5 | Very low | 51.9 | Low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | trans | -69.8 | 133.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 69 | N | 49.2 | Very low | 52.1 | Low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | -160.4 | 144 | 129.1 | -120.7 | 0.1 | 0 | 0 | 0 | 107.8 | V71 | N69-V71 PolarHBondContact O-N 2.87Š| |||
| 70 | P | 55.1 | Low | 51.8 | Low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | trans | -71.6 | 105 | -180 | 29.2 | -31.4 | 0 | 0 | 0 | 109.2 | S72 | P70-S72 PolarHBondContact O-N 3.4Š| ||
| 71 | V | 51.3 | Low | 50.9 | Low | 119 Ų | 119 | 130.1 Ų | 130.1 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -74.2 | 107.2 | 171 | -80 | 0 | 0 | 0 | 0 | 109.2 | N69 | N69-V71 PolarHBondContact O-N 2.87Š| ||
| 72 | S | 56 | Low | 50.5 | Low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -67.7 | 122.9 | 167.9 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | P70 N74 | P70-S72 PolarHBondContact O-N 3.4Å; S72-N74 PolarHBondContact O-N 3.07Å | ||
| 73 | F | 54.8 | Low | 49.4 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -76.8 | 106 | 173.3 | -59.9 | -83.9 | 0 | 0 | 0 | 109.4 | ||||
| 74 | N | 58.2 | Low | 48.8 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -101.5 | 95.4 | 174.4 | -142.9 | 30.9 | 0 | 0 | 0 | 109.1 | S72 | S72-N74 PolarHBondContact O-N 3.07Š| ||
| 75 | F | 48.1 | Very low | 48.5 | Very low | 212 Ų | 212 | 138.9 Ų | 138.9 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -90.5 | 92.1 | 168 | -99.9 | -91.1 | 0 | 0 | 0 | 108.2 | ||||
| 76 | G | 63.5 | Low | 48.6 | Very low | 51 Ų | 51 | 135.7 Ų | 135.7 | 53% | 0.526 | 78% | 0.782 | S | S | . | * | S | Bend | trans | -161.2 | 133.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | N78 | G76-N78 PolarHBondContact O-N 2.74Š|
| 77 | P | 61.7 | Low | 48.7 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 126.5 | 179 | 28.2 | -31.2 | 0 | 0 | 0 | 109.3 | P79 | P77-P79 VanDerWaalsContact O-CD 3.29Å; P77-P79 WeakPolarHBondContact O-CD 3.29Å | ||
| 78 | N | 48.9 | Very low | 49.3 | Very low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 114.1 | 175.4 | -151.7 | 16.3 | 0 | 0 | 0 | 108.3 | G76 S80 | G76-N78 PolarHBondContact O-N 2.74Å; N78-S80 PolarHBondContact O-N 3Å; N78-S80 VanDerWaalsContact O-N 3.15Å | ||
| 79 | P | 57 | Low | 50.7 | Low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -74.6 | 108.1 | 172.3 | 29.3 | -30.2 | 0 | 0 | 0 | 108.3 | P77 S81 | P77-P79 VanDerWaalsContact O-CD 3.29Å; P77-P79 WeakPolarHBondContact O-CD 3.29Å; P79-S81 PolarHBondContact O-N 3.45Å | ||
| 80 | S | 42.7 | Very low | 52.3 | Low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -55.1 | 120.2 | 171.5 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | N78 V82 | N78-S80 PolarHBondContact O-N 3Å; N78-S80 VanDerWaalsContact O-N 3.15Å; S80-V82 PolarHBondContact O-N 2.8Å | ||
| 81 | S | 42.4 | Very low | 53.8 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | -52.7 | 116.1 | 171.6 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | P79 | P79-S81 PolarHBondContact O-N 3.45Š| ||
| 82 | V | 44.5 | Very low | 55.7 | Low | 127 Ų | 127 | 131.1 Ų | 131.1 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | -107.7 | 106.5 | 151.5 | 178.5 | 0 | 0 | 0 | 0 | 106.1 | S80 E84 | S80-V82 PolarHBondContact O-N 2.8Å; V82-E84 PolarHBondContact O-N 3.36Å | ||
| 83 | K | 38.1 | Very low | 57.3 | Low | 204 Ų | 204 | 129 Ų | 129 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | trans | -76.2 | 108 | 166 | -71.5 | -176.8 | 177.2 | -178.7 | 0 | 106.9 | ||||
| 84 | E | 40.4 | Very low | 59.2 | Low | 170 Ų | 170 | 121.9 Ų | 121.9 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | trans | -137.1 | 138.1 | 155.5 | -150.8 | 169.3 | -167.1 | 0 | 0 | 109.5 | V82 | V82-E84 PolarHBondContact O-N 3.36Š| ||
| 85 | N | 39 | Very low | 60.9 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | trans | -55.7 | 144.4 | -165.8 | -58.7 | -65.1 | 0 | 0 | 0 | 115.3 | ||||
| 86 | G | 37.9 | Very low | 63.1 | Low | 72 Ų | 72 | 114.1 Ų | 114.1 | 74% | 0.742 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 124 | 11.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||
| 87 | H | 49.8 | Very low | 64.5 | Low | 157 Ų | 157 | 115 Ų | 115 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | -164.1 | 118.7 | 158.6 | -130.2 | -93.3 | 0 | 0 | 0 | 105.6 | D89 | H87-D89 PolarHBondContact O-N 3.02Š| ||
| 88 | K | 56.4 | Low | 66.1 | Low | 167 Ų | 167 | 110.4 Ų | 110.4 | 73% | 0.726 | 59% | 0.592 | S | S | * | * | trans | -68.9 | 107.3 | 166.6 | -78.3 | -171 | 178.6 | -174.5 | 0 | 105.4 | E90 E93 | K88-E90 PolarHBondContact O-N 2.87Å; K88-E90 VanDerWaalsContact O-N 3.08Å; K88-E93 WeakPolarHBondContact CD-OE1 2.98Å | ||
| 89 | D | 69.9 | Low | 68.3 | Low | 92 Ų | 92 | 108.6 Ų | 108.6 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | trans | -61 | 115.9 | -179.7 | -61 | -41.2 | 0 | 0 | 0 | 106.8 | H87 E91 T92 | H87-D89 PolarHBondContact O-N 3.02Å; D89-E91 HydrophobicContact CB-CB 4.33Å; D89-E91 CarbonylContact O-C 3.53Å; D89-E91 PolarHBondContact O-N 2.97Å; D89-T92 HydrophobicContact CB-CG2 4.2Å; D89-T92 PolarHBondContact O-N 3.34Å; D89-T92 PolarHBondContact O-OG1 3.5Å | ||
| 90 | E | 83 | Confident | 70.2 | Confident | 84 Ų | 84 | 107.3 Ų | 107.3 | 39% | 0.393 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -46.3 | -25.5 | 175 | -68.2 | 172.5 | -179.3 | 0 | 0 | 111 | K88 Y94 F139 K141 | K88-E90 PolarHBondContact O-N 2.87Å; K88-E90 VanDerWaalsContact O-N 3.08Å; E90-Y94 WeakPolarHBondContact O-CB 3.3Å; E90-Y94 PolarHBondContact O-N 2.92Å; E90-F139 HydrophobicContact CB-CD1 4.15Å; E90-F139 WeakPolarHBondContact O-CD1 3.1Å; E90-K141 IonicContact OE1-NZ 3.41Å; E90-K141 PolarHBondContact OE1-NZ 2.66Å; E90-K141 VanDerWaalsContact OE1-NZ 3.14Å; E90-K141 WeakPolarHBondContact OE2-CD 3.48Å; E90-K141 IonicContact OE2-NZ 3.14Å; E90-K141 PolarHBondContact OE2-NZ 2.95Å |
| 91 | E | 86.9 | Confident | 72.7 | Confident | 109 Ų | 109 | 103.2 Ų | 103.2 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 171.1 | -175.5 | 155.2 | -145.8 | 0 | 0 | 115.8 | D89 E93 Y94 L95 Q142 | D89-E91 HydrophobicContact CB-CB 4.33Å; D89-E91 CarbonylContact O-C 3.53Å; D89-E91 PolarHBondContact O-N 2.97Å; E91-E93 VanDerWaalsContact C-N 3.29Å; E91-E93 PolarHBondContact O-N 3.3Å; E91-Y94 PolarHBondContact O-N 2.9Å; E91-L95 HydrophobicContact CG-CD1 4.11Å; E91-L95 WeakPolarHBondContact O-CB 3.04Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.12Å; E91-L95 PolarHBondContact O-N 3.15Å; E91-Q142 VanDerWaalsContact CA-NE2 3.27Å; E91-Q142 VanDerWaalsContact CA-OE1 3.31Å |
| 92 | T | 90.1 | Very high | 75.2 | Confident | 78 Ų | 78 | 101.3 Ų | 101.3 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 179.9 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | D89 E96 | D89-T92 HydrophobicContact CB-CG2 4.2Å; D89-T92 PolarHBondContact O-N 3.34Å; D89-T92 PolarHBondContact O-OG1 3.5Å; T92-E96 WeakPolarHBondContact O-CB 3.29Å; T92-E96 PolarHBondContact O-N 3.1Å |
| 93 | E | 90.9 | Very high | 77.7 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 31% | 0.313 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.8 | -40.7 | 176.8 | -63.3 | -171 | 173.9 | 0 | 0 | 111.6 | K88 E91 E96 H97 F139 | K88-E93 WeakPolarHBondContact CD-OE1 2.98Å; E91-E93 VanDerWaalsContact C-N 3.29Å; E91-E93 PolarHBondContact O-N 3.3Å; E93-E96 PolarHBondContact O-N 3.48Å; E93-H97 PolarHBondContact O-N 2.9Å; E93-H97 PolarHBondContact O-ND1 3Å; E93-F139 HydrophobicContact CB-CE1 3.82Å; E93-F139 HydrophobicContact CB-CZ 3.68Å |
| 94 | Y | 94.1 | Very high | 80.4 | Confident | 31 Ų | 31 | 93.7 Ų | 93.7 | 12% | 0.122 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 173.7 | 170.7 | -94.1 | 0 | 0 | 0 | 112 | E90 E91 E96 H97 L98 I135 F139 Q142 | E90-Y94 WeakPolarHBondContact O-CB 3.3Å; E90-Y94 PolarHBondContact O-N 2.92Å; E91-Y94 PolarHBondContact O-N 2.9Å; Y94-E96 VanDerWaalsContact C-N 3.33Å; Y94-E96 PolarHBondContact O-N 3.04Å; Y94-H97 PolarHBondContact O-N 2.89Å; Y94-L98 HydrophobicContact CE1-CD2 4.01Å; Y94-L98 WeakPolarHBondContact O-CB 3.34Å; Y94-L98 PolarHBondContact O-N 3.48Å; Y94-I135 HydrophobicContact CD2-CG2 3.41Å; Y94-I135 VanDerWaalsContact CD2-CG2 3.41Å; Y94-I135 HydrophobicContact CE2-CG2 3.49Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.49Å; Y94-I135 HydrophobicContact CG-CG2 4.43Å; Y94-F139 HydrophobicContact CD2-CB 3.81Å; Y94-F139 AromaticContact CD2-CD2 3.92Å; Y94-F139 HydrophobicContact CD2-CD2 3.92Å; Y94-F139 HydrophobicContact CD2-CG 4.14Å; Y94-F139 HydrophobicContact CG-CB 4.35Å; Y94-F139 HydrophobicContact CG-CD2 4.41Å; Y94-F139 HydrophobicContact CG-CG 4.49Å; Y94-Q142 HydrophobicContact CD1-CB 4.11Å; Y94-Q142 HydrophobicContact CD1-CG 4.41Å; Y94-Q142 HydrophobicContact CD2-CB 4Å; Y94-Q142 HydrophobicContact CE1-CB 4.33Å; Y94-Q142 HydrophobicContact CE2-CB 4.24Å; Y94-Q142 HydrophobicContact CG-CB 3.92Å; Y94-Q142 HydrophobicContact CG-CG 4.12Å |
| 95 | L | 94 | Very high | 83.1 | Confident | 93 Ų | 93 | 86.9 Ų | 86.9 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 179.9 | -70.3 | 174.7 | 0 | 0 | 0 | 112.1 | E91 L98 Q99 | E91-L95 HydrophobicContact CG-CD1 4.11Å; E91-L95 WeakPolarHBondContact O-CB 3.04Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.12Å; E91-L95 PolarHBondContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 2.82Å; L95-Q99 VanDerWaalsContact O-CB 3.24Å; L95-Q99 WeakPolarHBondContact O-CB 3.3Å; L95-Q99 PolarHBondContact O-N 3.4Å |
| 96 | E | 94 | Very high | 85.8 | Confident | 114 Ų | 114 | 83.6 Ų | 83.6 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 173.9 | -173.3 | 180 | -178.5 | 0 | 0 | 111.4 | T92 E93 Y94 Q99 N100 | T92-E96 WeakPolarHBondContact O-CB 3.29Å; T92-E96 PolarHBondContact O-N 3.1Å; E93-E96 PolarHBondContact O-N 3.48Å; Y94-E96 VanDerWaalsContact C-N 3.33Å; Y94-E96 PolarHBondContact O-N 3.04Å; E96-Q99 PolarHBondContact O-N 3.48Å; E96-N100 WeakPolarHBondContact O-CB 3.23Å; E96-N100 VanDerWaalsContact O-CG 3.26Å; E96-N100 PolarHBondContact O-N 2.83Å; E96-N100 PolarHBondContact O-ND2 3.38Å |
| 97 | H | 93.7 | Very high | 88.5 | Confident | 71 Ų | 71 | 85.5 Ų | 85.5 | 33% | 0.329 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.7 | -76.6 | 84.8 | 0 | 0 | 0 | 112 | E93 Y94 N100 L101 I135 F139 | E93-H97 PolarHBondContact O-N 2.9Å; E93-H97 PolarHBondContact O-ND1 3Å; Y94-H97 PolarHBondContact O-N 2.89Å; H97-N100 PolarHBondContact O-N 2.84Å; H97-L101 WeakPolarHBondContact O-CB 3.26Å; H97-L101 PolarHBondContact O-N 3.43Å; H97-I135 HydrophobicContact CB-CD1 4.05Å; H97-I135 HydrophobicContact CB-CG1 4.14Å; H97-I135 HydrophobicContact CB-CG2 4.23Å; H97-F139 AromaticContact ND1-CE2 3.86Å |
| 98 | L | 94.9 | Very high | 90.6 | Very high | 34 Ų | 34 | 82.3 Ų | 82.3 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 178.8 | -174.5 | 61.4 | 0 | 0 | 0 | 111.6 | Y94 L95 L101 N102 L132 | Y94-L98 HydrophobicContact CE1-CD2 4.01Å; Y94-L98 WeakPolarHBondContact O-CB 3.34Å; Y94-L98 PolarHBondContact O-N 3.48Å; L95-L98 PolarHBondContact O-N 2.82Å; L98-L101 PolarHBondContact O-N 3.18Å; L98-N102 WeakPolarHBondContact O-CB 3.19Å; L98-N102 PolarHBondContact O-N 2.86Å; L98-N102 PolarHBondContact O-ND2 3.09Å; L98-L132 HydrophobicContact CD1-CD1 3.77Å |
| 99 | Q | 95.2 | Very high | 92.4 | Very high | 118 Ų | 118 | 76.1 Ų | 76.1 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.9 | -48.2 | 175.2 | -176.4 | -179.5 | 14.9 | 0 | 0 | 111.3 | L95 E96 L101 N102 Q103 | L95-Q99 VanDerWaalsContact O-CB 3.24Å; L95-Q99 WeakPolarHBondContact O-CB 3.3Å; L95-Q99 PolarHBondContact O-N 3.4Å; E96-Q99 PolarHBondContact O-N 3.48Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.08Å; Q99-N102 PolarHBondContact O-N 2.82Å; Q99-Q103 HydrophobicContact CG-CG 4.48Å; Q99-Q103 WeakPolarHBondContact O-CG 3.33Å; Q99-Q103 PolarHBondContact O-N 3.14Å |
| 100 | N | 95.7 | Very high | 93.6 | Very high | 88 Ų | 88 | 74.2 Ų | 74.2 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 178.6 | -74.3 | -23.8 | 0 | 0 | 0 | 112 | E96 H97 S104 | E96-N100 WeakPolarHBondContact O-CB 3.23Å; E96-N100 VanDerWaalsContact O-CG 3.26Å; E96-N100 PolarHBondContact O-N 2.83Å; E96-N100 PolarHBondContact O-ND2 3.38Å; H97-N100 PolarHBondContact O-N 2.84Å; N100-S104 WeakPolarHBondContact O-CB 3.45Å; N100-S104 PolarHBondContact O-N 2.85Å; N100-S104 PolarHBondContact O-OG 2.86Å |
| 101 | L | 95.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 76 Ų | 76 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 175 | 180 | 62.1 | 0 | 0 | 0 | 111.5 | H97 L98 Q99 Q103 S104 L105 Y128 H131 L132 I135 | H97-L101 WeakPolarHBondContact O-CB 3.26Å; H97-L101 PolarHBondContact O-N 3.43Å; L98-L101 PolarHBondContact O-N 3.18Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.08Å; L101-Q103 PolarHBondContact O-N 3.49Å; L101-S104 PolarHBondContact O-N 3.41Å; L101-L105 WeakPolarHBondContact O-CB 3.01Å; L101-L105 PolarHBondContact O-N 2.79Å; L101-Y128 HydrophobicContact CD1-CD2 4Å; L101-Y128 HydrophobicContact CD1-CE2 4.35Å; L101-Y128 HydrophobicContact CD2-CD2 3.83Å; L101-Y128 HydrophobicContact CD2-CE2 3.58Å; L101-Y128 HydrophobicContact CG-CD2 3.7Å; L101-Y128 HydrophobicContact CG-CE2 3.54Å; L101-H131 HydrophobicContact CD1-CB 3.57Å; L101-H131 HydrophobicContact CD2-CB 3.87Å; L101-H131 HydrophobicContact CG-CB 4.38Å; L101-L132 HydrophobicContact CD2-CB 4.49Å; L101-I135 HydrophobicContact CB-CD1 4.23Å; L101-I135 HydrophobicContact CD2-CD1 3.79Å |
| 102 | N | 95.6 | Very high | 94.4 | Very high | 66 Ų | 66 | 73.4 Ų | 73.4 | 35% | 0.353 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | -179.6 | -70.9 | -11.3 | 0 | 0 | 0 | 112.4 | L98 Q99 L105 L106 Y128 | L98-N102 WeakPolarHBondContact O-CB 3.19Å; L98-N102 PolarHBondContact O-N 2.86Å; L98-N102 PolarHBondContact O-ND2 3.09Å; Q99-N102 PolarHBondContact O-N 2.82Å; N102-L105 PolarHBondContact O-N 2.91Å; N102-L106 PolarHBondContact O-N 3.21Å; N102-Y128 WeakPolarHBondContact OD1-CE2 3.43Å; N102-Y128 PolarHBondContact OD1-OH 3.15Å |
| 103 | Q | 96.5 | Very high | 94.6 | Very high | 96 Ų | 96 | 72.6 Ų | 72.6 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68 | -42 | 175.8 | -65.2 | -66.3 | 22 | 0 | 0 | 111.8 | Q99 L101 L105 L106 D107 | Q99-Q103 HydrophobicContact CG-CG 4.48Å; Q99-Q103 WeakPolarHBondContact O-CG 3.33Å; Q99-Q103 PolarHBondContact O-N 3.14Å; L101-Q103 PolarHBondContact O-N 3.49Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 3.01Å; Q103-L106 PolarHBondContact O-N 2.74Å; Q103-D107 PolarHBondContact O-N 3.39Å |
| 104 | S | 94.9 | Very high | 94.7 | Very high | 75 Ų | 75 | 77.4 Ų | 77.4 | 52% | 0.524 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | N100 L101 W108 | N100-S104 WeakPolarHBondContact O-CB 3.45Å; N100-S104 PolarHBondContact O-N 2.85Å; N100-S104 PolarHBondContact O-OG 2.86Å; L101-S104 PolarHBondContact O-N 3.41Å; S104-W108 WeakPolarHBondContact O-CB 3.41Å; S104-W108 PolarHBondContact O-N 2.69Å |
| 105 | L | 96 | Very high | 94.6 | Very high | 28 Ų | 28 | 81.7 Ų | 81.7 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 174.1 | 178.7 | 68.6 | 0 | 0 | 0 | 111.3 | L101 N102 Q103 W108 I109 I124 Y128 | L101-L105 WeakPolarHBondContact O-CB 3.01Å; L101-L105 PolarHBondContact O-N 2.79Å; N102-L105 PolarHBondContact O-N 2.91Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 3.01Å; L105-W108 PolarHBondContact O-N 3.38Å; L105-I109 HydrophobicContact CD1-CD1 3.91Å; L105-I109 HydrophobicContact CD1-CG1 4.27Å; L105-I109 HydrophobicContact CD2-CD1 4.41Å; L105-I109 HydrophobicContact CG-CD1 3.82Å; L105-I109 HydrophobicContact CG-CG1 4.48Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.49Å; L105-I109 PolarHBondContact O-N 3.39Å; L105-I124 HydrophobicContact CD1-CD1 4.42Å; L105-I124 HydrophobicContact CD1-CG1 3.46Å; L105-I124 VanDerWaalsContact CD1-CG1 3.46Å; L105-I124 HydrophobicContact CD1-CG2 4.35Å; L105-Y128 HydrophobicContact CB-CD2 4.22Å; L105-Y128 HydrophobicContact CD1-CD2 4.38Å; L105-Y128 HydrophobicContact CD2-CD2 3.68Å; L105-Y128 HydrophobicContact CD2-CE2 3.87Å; L105-Y128 HydrophobicContact CD2-CG 4.25Å; L105-Y128 HydrophobicContact CG-CD2 4.3Å |
| 106 | L | 95.5 | Very high | 94.5 | Very high | 92 Ų | 92 | 82.4 Ų | 82.4 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 179.7 | -179.3 | 63.9 | 0 | 0 | 0 | 111.8 | N102 Q103 W108 I109 T110 | N102-L106 PolarHBondContact O-N 3.21Å; Q103-L106 PolarHBondContact O-N 2.74Å; L106-W108 VanDerWaalsContact C-N 3.32Å; L106-W108 PolarHBondContact O-N 2.82Å; L106-I109 PolarHBondContact O-N 3.33Å; L106-T110 VanDerWaalsContact O-CB 3.25Å; L106-T110 WeakPolarHBondContact O-CB 2.96Å; L106-T110 PolarHBondContact O-N 3.47Å; L106-T110 PolarHBondContact O-OG1 2.87Å |
| 107 | D | 95.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 81.6 Ų | 81.6 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 176.6 | -77 | -16.1 | 0 | 0 | 0 | 111.2 | Q103 T110 K111 | Q103-D107 PolarHBondContact O-N 3.39Å; D107-T110 PolarHBondContact O-N 2.89Å; D107-K111 WeakPolarHBondContact O-CB 3.37Å; D107-K111 PolarHBondContact O-N 2.83Å |
| 108 | W | 93.6 | Very high | 94.1 | Very high | 90 Ų | 90 | 87.7 Ų | 87.7 | 34% | 0.341 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 178 | -169.3 | 98.8 | 0 | 0 | 0 | 112.1 | S104 L105 L106 T110 K111 H112 L121 I124 | S104-W108 WeakPolarHBondContact O-CB 3.41Å; S104-W108 PolarHBondContact O-N 2.69Å; L105-W108 PolarHBondContact O-N 3.38Å; L106-W108 VanDerWaalsContact C-N 3.32Å; L106-W108 PolarHBondContact O-N 2.82Å; W108-T110 VanDerWaalsContact C-N 3.33Å; W108-T110 PolarHBondContact O-N 2.81Å; W108-K111 PolarHBondContact O-N 3.15Å; W108-H112 AromaticContact CD1-CE1 3.72Å; W108-H112 AromaticContact CD2-CE1 3.64Å; W108-H112 AromaticContact CD2-ND1 3.4Å; W108-H112 AromaticContact CE2-CE1 3.15Å; W108-H112 AromaticContact CE2-ND1 3.37Å; W108-H112 AromaticContact CE2-NE2 3.79Å; W108-H112 AromaticContact CE3-ND1 3.72Å; W108-H112 AromaticContact CG-CE1 3.98Å; W108-H112 AromaticContact CG-ND1 3.88Å; W108-H112 HydrophobicContact CH2-CB 4.45Å; W108-H112 AromaticContact CH2-CG 3.93Å; W108-H112 AromaticContact CH2-ND1 3.97Å; W108-H112 AromaticContact CZ2-CD2 3.95Å; W108-H112 AromaticContact CZ2-CE1 3.48Å; W108-H112 VanDerWaalsContact CZ2-CE1 3.48Å; W108-H112 WeakPolarHBondContact CZ2-CE1 3.49Å; W108-H112 AromaticContact CZ2-CG 3.97Å; W108-H112 AromaticContact CZ2-ND1 3.68Å; W108-H112 AromaticContact CZ2-NE2 3.64Å; W108-H112 HydrophobicContact CZ3-CB 4.26Å; W108-H112 AromaticContact CZ3-ND1 3.98Å; W108-H112 AromaticContact NE1-CE1 3.22Å; W108-H112 PolarHBondContact NE1-CE1 2.98Å; W108-H112 AromaticContact NE1-ND1 3.81Å; W108-H112 AromaticContact NE1-NE2 3.99Å; W108-H112 PolarHBondContact O-N 2.95Å; W108-H112 VanDerWaalsContact O-N 3.09Å; W108-H112 PolarHBondContact O-ND1 3.25Å; W108-L121 HydrophobicContact CZ3-CD2 4.07Å; W108-I124 HydrophobicContact CD2-CB 4.2Å; W108-I124 HydrophobicContact CD2-CD1 3.69Å; W108-I124 HydrophobicContact CD2-CG1 3.78Å; W108-I124 HydrophobicContact CE3-CB 3.67Å; W108-I124 HydrophobicContact CE3-CD1 4.02Å; W108-I124 HydrophobicContact CE3-CG1 3.55Å; W108-I124 HydrophobicContact CE3-CG2 3.76Å; W108-I124 HydrophobicContact CG-CD1 3.96Å; W108-I124 HydrophobicContact CG-CG1 4.34Å; W108-I124 HydrophobicContact CH2-CB 3.81Å; W108-I124 HydrophobicContact CH2-CG1 4.46Å; W108-I124 HydrophobicContact CH2-CG2 4.13Å; W108-I124 HydrophobicContact CZ2-CB 4.29Å; W108-I124 HydrophobicContact CZ2-CD1 4.41Å; W108-I124 HydrophobicContact CZ3-CB 3.47Å; W108-I124 VanDerWaalsContact CZ3-CB 3.47Å; W108-I124 HydrophobicContact CZ3-CG1 3.93Å; W108-I124 HydrophobicContact CZ3-CG2 3.41Å; W108-I124 VanDerWaalsContact CZ3-CG2 3.41Å |
| 109 | I | 95.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 88 Ų | 88 | 20% | 0.195 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 177.7 | -68.4 | 171 | 0 | 0 | 0 | 109.6 | L105 L106 K111 H112 V113 L121 I124 | L105-I109 HydrophobicContact CD1-CD1 3.91Å; L105-I109 HydrophobicContact CD1-CG1 4.27Å; L105-I109 HydrophobicContact CD2-CD1 4.41Å; L105-I109 HydrophobicContact CG-CD1 3.82Å; L105-I109 HydrophobicContact CG-CG1 4.48Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.49Å; L105-I109 PolarHBondContact O-N 3.39Å; L106-I109 PolarHBondContact O-N 3.33Å; I109-K111 VanDerWaalsContact C-N 3.28Å; I109-K111 PolarHBondContact O-N 2.79Å; I109-H112 PolarHBondContact O-N 2.81Å; I109-V113 HydrophobicContact CG2-CG2 3.81Å; I109-V113 VanDerWaalsContact O-CB 3.28Å; I109-V113 WeakPolarHBondContact O-CB 3.45Å; I109-V113 VanDerWaalsContact O-CG2 3.22Å; I109-V113 WeakPolarHBondContact O-CG2 3.22Å; I109-V113 PolarHBondContact O-N 2.87Å; I109-L121 HydrophobicContact CG1-CD2 4.45Å; I109-L121 HydrophobicContact CG2-CD1 4.28Å; I109-L121 HydrophobicContact CG2-CD2 4.46Å; I109-I124 HydrophobicContact CG1-CG2 4.5Å |
| 110 | T | 94.5 | Very high | 93.5 | Very high | 51 Ų | 51 | 89 Ų | 89 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 180 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | L106 D107 W108 K114 | L106-T110 VanDerWaalsContact O-CB 3.25Å; L106-T110 WeakPolarHBondContact O-CB 2.96Å; L106-T110 PolarHBondContact O-N 3.47Å; L106-T110 PolarHBondContact O-OG1 2.87Å; D107-T110 PolarHBondContact O-N 2.89Å; W108-T110 VanDerWaalsContact C-N 3.33Å; W108-T110 PolarHBondContact O-N 2.81Å; T110-K114 HydrophobicContact CG2-CD 4.04Å; T110-K114 VanDerWaalsContact CG2-CE 3.48Å; T110-K114 VanDerWaalsContact O-CB 3.3Å; T110-K114 WeakPolarHBondContact O-CB 3.19Å; T110-K114 WeakPolarHBondContact O-CD 3.47Å; T110-K114 WeakPolarHBondContact O-CG 3.47Å; T110-K114 PolarHBondContact O-N 3.37Å |
| 111 | K | 93.6 | Very high | 93.3 | Very high | 123 Ų | 123 | 87 Ų | 87 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.1 | -50.3 | 177.1 | -173.3 | -177.9 | 175.4 | -173.9 | 0 | 111.8 | D107 W108 I109 K114 E115 | D107-K111 WeakPolarHBondContact O-CB 3.37Å; D107-K111 PolarHBondContact O-N 2.83Å; W108-K111 PolarHBondContact O-N 3.15Å; I109-K111 VanDerWaalsContact C-N 3.28Å; I109-K111 PolarHBondContact O-N 2.79Å; K111-K114 PolarHBondContact O-N 3.14Å; K111-E115 VanDerWaalsContact CE-OE1 3.22Å; K111-E115 WeakPolarHBondContact CE-OE1 3.29Å; K111-E115 WeakPolarHBondContact O-CG 3.44Å; K111-E115 PolarHBondContact O-N 2.98Å; K111-E115 VanDerWaalsContact O-N 3.08Å |
| 112 | H | 92.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 89.6 Ų | 89.6 | 25% | 0.25 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -74.2 | -34.3 | -174.4 | -68.6 | 80.4 | 0 | 0 | 0 | 113 | W108 I109 K114 E115 D116 | W108-H112 AromaticContact CD1-CE1 3.72Å; W108-H112 AromaticContact CD2-CE1 3.64Å; W108-H112 AromaticContact CD2-ND1 3.4Å; W108-H112 AromaticContact CE2-CE1 3.15Å; W108-H112 AromaticContact CE2-ND1 3.37Å; W108-H112 AromaticContact CE2-NE2 3.79Å; W108-H112 AromaticContact CE3-ND1 3.72Å; W108-H112 AromaticContact CG-CE1 3.98Å; W108-H112 AromaticContact CG-ND1 3.88Å; W108-H112 HydrophobicContact CH2-CB 4.45Å; W108-H112 AromaticContact CH2-CG 3.93Å; W108-H112 AromaticContact CH2-ND1 3.97Å; W108-H112 AromaticContact CZ2-CD2 3.95Å; W108-H112 AromaticContact CZ2-CE1 3.48Å; W108-H112 VanDerWaalsContact CZ2-CE1 3.48Å; W108-H112 WeakPolarHBondContact CZ2-CE1 3.49Å; W108-H112 AromaticContact CZ2-CG 3.97Å; W108-H112 AromaticContact CZ2-ND1 3.68Å; W108-H112 AromaticContact CZ2-NE2 3.64Å; W108-H112 HydrophobicContact CZ3-CB 4.26Å; W108-H112 AromaticContact CZ3-ND1 3.98Å; W108-H112 AromaticContact NE1-CE1 3.22Å; W108-H112 PolarHBondContact NE1-CE1 2.98Å; W108-H112 AromaticContact NE1-ND1 3.81Å; W108-H112 AromaticContact NE1-NE2 3.99Å; W108-H112 PolarHBondContact O-N 2.95Å; W108-H112 VanDerWaalsContact O-N 3.09Å; W108-H112 PolarHBondContact O-ND1 3.25Å; I109-H112 PolarHBondContact O-N 2.81Å; H112-K114 VanDerWaalsContact C-N 3.3Å; H112-K114 PolarHBondContact O-N 2.88Å; H112-E115 PolarHBondContact O-N 2.82Å; H112-D116 CarbonylContact O-C 3.56Å; H112-D116 PolarHBondContact O-N 3.07Å; H112-D116 VanDerWaalsContact O-O 3.14Å |
| 113 | V | 94.2 | Very high | 92.9 | Very high | 61 Ų | 61 | 90.5 Ų | 90.5 | 37% | 0.37 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.4 | -29.8 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | I109 D116 L121 | I109-V113 HydrophobicContact CG2-CG2 3.81Å; I109-V113 VanDerWaalsContact O-CB 3.28Å; I109-V113 WeakPolarHBondContact O-CB 3.45Å; I109-V113 VanDerWaalsContact O-CG2 3.22Å; I109-V113 WeakPolarHBondContact O-CG2 3.22Å; I109-V113 PolarHBondContact O-N 2.87Å; V113-D116 CarbonylContact O-C 3.59Å; V113-L121 HydrophobicContact CG2-CD2 4.33Å |
| 114 | K | 93.1 | Very high | 92.7 | Very high | 168 Ų | 168 | 86.9 Ų | 86.9 | 73% | 0.73 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -73.5 | -36.4 | 173.1 | -78.3 | 174.5 | -177.4 | 174.4 | 0 | 112.9 | T110 K111 H112 | T110-K114 HydrophobicContact CG2-CD 4.04Å; T110-K114 VanDerWaalsContact CG2-CE 3.48Å; T110-K114 VanDerWaalsContact O-CB 3.3Å; T110-K114 WeakPolarHBondContact O-CB 3.19Å; T110-K114 WeakPolarHBondContact O-CD 3.47Å; T110-K114 WeakPolarHBondContact O-CG 3.47Å; T110-K114 PolarHBondContact O-N 3.37Å; K111-K114 PolarHBondContact O-N 3.14Å; H112-K114 VanDerWaalsContact C-N 3.3Å; H112-K114 PolarHBondContact O-N 2.88Å |
| 115 | E | 93.4 | Very high | 92.7 | Very high | 120 Ų | 120 | 87.7 Ų | 87.7 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -72.5 | -53.2 | 176.4 | -72 | 177.9 | -168.6 | 0 | 0 | 110.7 | K111 H112 | K111-E115 VanDerWaalsContact CE-OE1 3.22Å; K111-E115 WeakPolarHBondContact CE-OE1 3.29Å; K111-E115 WeakPolarHBondContact O-CG 3.44Å; K111-E115 PolarHBondContact O-N 2.98Å; K111-E115 VanDerWaalsContact O-N 3.08Å; H112-E115 PolarHBondContact O-N 2.82Å |
| 116 | D | 90.1 | Very high | 92.6 | Very high | 109 Ų | 109 | 89.4 Ų | 89.4 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | trans | -131.6 | 104.4 | 179.1 | -74.9 | -35.5 | 0 | 0 | 0 | 110.9 | H112 V113 F118 C119 | H112-D116 CarbonylContact O-C 3.56Å; H112-D116 PolarHBondContact O-N 3.07Å; H112-D116 VanDerWaalsContact O-O 3.14Å; V113-D116 CarbonylContact O-C 3.59Å; D116-F118 PolarHBondContact O-N 2.89Å; D116-C119 HydrophobicContact CB-CB 4.23Å; D116-C119 WeakPolarHBondContact O-CB 3.23Å; D116-C119 PolarHBondContact O-N 2.85Å; D116-C119 VanDerWaalsContact O-N 3.12Å; D116-C119 PolarHBondContact O-SG 3.26Å | ||
| 117 | P | 90.2 | Very high | 92.6 | Very high | 96 Ų | 96 | 88.4 Ų | 88.4 | 62% | 0.623 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.3 | 177.7 | -26.7 | 35.6 | 0 | 0 | 0 | 114.5 | ||
| 118 | F | 89.4 | Confident | 92.6 | Very high | 199 Ų | 199 | 85.2 Ų | 85.2 | 87% | 0.873 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 19.3 | -179.4 | -55.7 | -72.4 | 0 | 0 | 0 | 113.3 | D116 | D116-F118 PolarHBondContact O-N 2.89Š|
| 119 | C | 88.2 | Confident | 92.7 | Very high | 42 Ų | 42 | 85.2 Ų | 85.2 | 28% | 0.284 | 45% | 0.446 | S | S | . | . | trans | -69.6 | 142.3 | -179.9 | 64.9 | 0 | 0 | 0 | 0 | 113 | D116 L121 | D116-C119 HydrophobicContact CB-CB 4.23Å; D116-C119 WeakPolarHBondContact O-CB 3.23Å; D116-C119 PolarHBondContact O-N 2.85Å; D116-C119 VanDerWaalsContact O-N 3.12Å; D116-C119 PolarHBondContact O-SG 3.26Å; C119-L121 PolarHBondContact O-N 3.11Å | ||
| 120 | I | 90.4 | Very high | 92.7 | Very high | 139 Ų | 139 | 90.3 Ų | 90.3 | 71% | 0.713 | 47% | 0.466 | S | S | * | . | trans | -84.9 | 113.1 | 176.4 | -60.9 | 171.9 | 0 | 0 | 0 | 108.4 | S122 P123 | I120-S122 VanDerWaalsContact C-N 3.32Å; I120-S122 PolarHBondContact O-N 3.33Å; I120-P123 WeakPolarHBondContact O-CD 3.48Å | ||
| 121 | L | 92 | Very high | 92.7 | Very high | 45 Ų | 45 | 92.6 Ų | 92.6 | 24% | 0.236 | 47% | 0.473 | C | S | . | . | trans | -81.9 | -4.9 | -177.4 | -59.2 | 177 | 0 | 0 | 0 | 114.1 | W108 I109 V113 C119 P123 I124 F125 | W108-L121 HydrophobicContact CZ3-CD2 4.07Å; I109-L121 HydrophobicContact CG1-CD2 4.45Å; I109-L121 HydrophobicContact CG2-CD1 4.28Å; I109-L121 HydrophobicContact CG2-CD2 4.46Å; V113-L121 HydrophobicContact CG2-CD2 4.33Å; C119-L121 PolarHBondContact O-N 3.11Å; L121-P123 VanDerWaalsContact C-N 3.32Å; L121-I124 HydrophobicContact CB-CG2 4.25Å; L121-I124 WeakPolarHBondContact O-CG2 3.01Å; L121-I124 PolarHBondContact O-N 3.36Å; L121-F125 HydrophobicContact CB-CD2 4.27Å; L121-F125 HydrophobicContact CB-CE2 3.58Å; L121-F125 HydrophobicContact CB-CZ 4.24Å; L121-F125 WeakPolarHBondContact O-CD2 2.97Å; L121-F125 PolarHBondContact O-N 2.98Å | ||
| 122 | S | 91.1 | Very high | 92.7 | Very high | 78 Ų | 78 | 88.8 Ų | 88.8 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -52.8 | -37.4 | -179.1 | -165.3 | 0 | 0 | 0 | 0 | 115.2 | I120 F125 S126 | I120-S122 VanDerWaalsContact C-N 3.32Å; I120-S122 PolarHBondContact O-N 3.33Å; S122-F125 PolarHBondContact O-N 2.98Å; S122-S126 PolarHBondContact O-N 2.83Å; S122-S126 PolarHBondContact O-OG 2.95Å |
| 123 | P | 90.3 | Very high | 92.8 | Very high | 86 Ų | 86 | 89.5 Ų | 89.5 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.7 | -37.1 | 179.5 | -23.4 | 35.6 | 0 | 0 | 0 | 113.7 | I120 L121 F125 S126 D127 | I120-P123 WeakPolarHBondContact O-CD 3.48Å; L121-P123 VanDerWaalsContact C-N 3.32Å; P123-F125 VanDerWaalsContact C-N 3.34Å; P123-S126 WeakPolarHBondContact O-CB 3.29Å; P123-S126 PolarHBondContact O-N 3.09Å; P123-D127 PolarHBondContact O-N 3.36Å |
| 124 | I | 93.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 88.1 Ų | 88.1 | 10% | 0.097 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.4 | -32.8 | -178.5 | -171.6 | 64.3 | 0 | 0 | 0 | 111.5 | L105 W108 I109 L121 S126 D127 Y128 | L105-I124 HydrophobicContact CD1-CD1 4.42Å; L105-I124 HydrophobicContact CD1-CG1 3.46Å; L105-I124 VanDerWaalsContact CD1-CG1 3.46Å; L105-I124 HydrophobicContact CD1-CG2 4.35Å; W108-I124 HydrophobicContact CD2-CB 4.2Å; W108-I124 HydrophobicContact CD2-CD1 3.69Å; W108-I124 HydrophobicContact CD2-CG1 3.78Å; W108-I124 HydrophobicContact CE3-CB 3.67Å; W108-I124 HydrophobicContact CE3-CD1 4.02Å; W108-I124 HydrophobicContact CE3-CG1 3.55Å; W108-I124 HydrophobicContact CE3-CG2 3.76Å; W108-I124 HydrophobicContact CG-CD1 3.96Å; W108-I124 HydrophobicContact CG-CG1 4.34Å; W108-I124 HydrophobicContact CH2-CB 3.81Å; W108-I124 HydrophobicContact CH2-CG1 4.46Å; W108-I124 HydrophobicContact CH2-CG2 4.13Å; W108-I124 HydrophobicContact CZ2-CB 4.29Å; W108-I124 HydrophobicContact CZ2-CD1 4.41Å; W108-I124 HydrophobicContact CZ3-CB 3.47Å; W108-I124 VanDerWaalsContact CZ3-CB 3.47Å; W108-I124 HydrophobicContact CZ3-CG1 3.93Å; W108-I124 HydrophobicContact CZ3-CG2 3.41Å; W108-I124 VanDerWaalsContact CZ3-CG2 3.41Å; I109-I124 HydrophobicContact CG1-CG2 4.5Å; L121-I124 HydrophobicContact CB-CG2 4.25Å; L121-I124 WeakPolarHBondContact O-CG2 3.01Å; L121-I124 PolarHBondContact O-N 3.36Å; I124-S126 VanDerWaalsContact C-N 3.31Å; I124-S126 PolarHBondContact O-N 3.13Å; I124-D127 PolarHBondContact O-N 3.34Å; I124-Y128 WeakPolarHBondContact O-CB 3.35Å; I124-Y128 PolarHBondContact O-N 2.83Å |
| 125 | F | 95.6 | Very high | 92.7 | Very high | 92 Ų | 92 | 80.8 Ų | 80.8 | 40% | 0.404 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 174.8 | -62.5 | -57.2 | 0 | 0 | 0 | 112.1 | L121 S122 P123 D127 Y128 D129 | L121-F125 HydrophobicContact CB-CD2 4.27Å; L121-F125 HydrophobicContact CB-CE2 3.58Å; L121-F125 HydrophobicContact CB-CZ 4.24Å; L121-F125 WeakPolarHBondContact O-CD2 2.97Å; L121-F125 PolarHBondContact O-N 2.98Å; S122-F125 PolarHBondContact O-N 2.98Å; P123-F125 VanDerWaalsContact C-N 3.34Å; F125-D127 VanDerWaalsContact C-N 3.3Å; F125-D127 PolarHBondContact O-N 2.79Å; F125-Y128 PolarHBondContact O-N 2.73Å; F125-D129 WeakPolarHBondContact O-CB 3.41Å; F125-D129 PolarHBondContact O-N 3.38Å |
| 126 | S | 94 | Very high | 92.6 | Very high | 64 Ų | 64 | 77.3 Ų | 77.3 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.3 | -32.1 | 173.6 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | S122 P123 I124 K130 | S122-S126 PolarHBondContact O-N 2.83Å; S122-S126 PolarHBondContact O-OG 2.95Å; P123-S126 WeakPolarHBondContact O-CB 3.29Å; P123-S126 PolarHBondContact O-N 3.09Å; I124-S126 VanDerWaalsContact C-N 3.31Å; I124-S126 PolarHBondContact O-N 3.13Å; S126-K130 WeakPolarHBondContact O-CG 3.37Å; S126-K130 PolarHBondContact O-N 3.08Å |
| 127 | D | 94.4 | Very high | 92.6 | Very high | 72 Ų | 72 | 76.7 Ų | 76.7 | 39% | 0.385 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -77 | -42.6 | 175.8 | -166.1 | 60.2 | 0 | 0 | 0 | 111.4 | P123 I124 F125 D129 K130 H131 | P123-D127 PolarHBondContact O-N 3.36Å; I124-D127 PolarHBondContact O-N 3.34Å; F125-D127 VanDerWaalsContact C-N 3.3Å; F125-D127 PolarHBondContact O-N 2.79Å; D127-D129 VanDerWaalsContact C-N 3.32Å; D127-D129 PolarHBondContact O-N 2.97Å; D127-K130 WeakPolarHBondContact O-CB 3.35Å; D127-K130 PolarHBondContact O-N 2.84Å; D127-K130 VanDerWaalsContact O-N 3.1Å; D127-H131 PolarHBondContact O-CD2 3.05Å; D127-H131 VanDerWaalsContact O-CD2 3.28Å; D127-H131 PolarHBondContact O-N 3.16Å; D127-H131 IonicContact OD2-CD2 3.7Å; D127-H131 IonicContact OD2-NE2 2.82Å |
| 128 | Y | 96.5 | Very high | 92.6 | Very high | 44 Ų | 44 | 78.9 Ų | 78.9 | 17% | 0.173 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -55.4 | -46.1 | 172.7 | 179.9 | -90.6 | 0 | 0 | 0 | 111.7 | L101 N102 L105 I124 F125 K130 H131 L132 | L101-Y128 HydrophobicContact CD1-CD2 4Å; L101-Y128 HydrophobicContact CD1-CE2 4.35Å; L101-Y128 HydrophobicContact CD2-CD2 3.83Å; L101-Y128 HydrophobicContact CD2-CE2 3.58Å; L101-Y128 HydrophobicContact CG-CD2 3.7Å; L101-Y128 HydrophobicContact CG-CE2 3.54Å; N102-Y128 WeakPolarHBondContact OD1-CE2 3.43Å; N102-Y128 PolarHBondContact OD1-OH 3.15Å; L105-Y128 HydrophobicContact CB-CD2 4.22Å; L105-Y128 HydrophobicContact CD1-CD2 4.38Å; L105-Y128 HydrophobicContact CD2-CD2 3.68Å; L105-Y128 HydrophobicContact CD2-CE2 3.87Å; L105-Y128 HydrophobicContact CD2-CG 4.25Å; L105-Y128 HydrophobicContact CG-CD2 4.3Å; I124-Y128 WeakPolarHBondContact O-CB 3.35Å; I124-Y128 PolarHBondContact O-N 2.83Å; F125-Y128 PolarHBondContact O-N 2.73Å; Y128-K130 VanDerWaalsContact C-N 3.29Å; Y128-K130 PolarHBondContact O-N 3.34Å; Y128-H131 PolarHBondContact O-N 2.89Å; Y128-H131 VanDerWaalsContact O-N 3.14Å; Y128-L132 HydrophobicContact CE1-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CD2 4.14Å; Y128-L132 WeakPolarHBondContact O-CB 3.5Å; Y128-L132 PolarHBondContact O-N 3.15Å |
| 129 | D | 94.6 | Very high | 92.5 | Very high | 90 Ų | 90 | 70.1 Ų | 70.1 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 178 | -72.1 | -18.7 | 0 | 0 | 0 | 112.5 | F125 D127 S133 | F125-D129 WeakPolarHBondContact O-CB 3.41Å; F125-D129 PolarHBondContact O-N 3.38Å; D127-D129 VanDerWaalsContact C-N 3.32Å; D127-D129 PolarHBondContact O-N 2.97Å; D129-S133 WeakPolarHBondContact O-CB 3.22Å; D129-S133 PolarHBondContact O-N 3.32Å; D129-S133 PolarHBondContact O-OG 2.86Å |
| 130 | K | 95.2 | Very high | 92.1 | Very high | 145 Ų | 145 | 72.1 Ų | 72.1 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.5 | -44.5 | 173.7 | -69.7 | 170.6 | -174.1 | 175.4 | 0 | 111.4 | S126 D127 Y128 S133 G134 | S126-K130 WeakPolarHBondContact O-CG 3.37Å; S126-K130 PolarHBondContact O-N 3.08Å; D127-K130 WeakPolarHBondContact O-CB 3.35Å; D127-K130 PolarHBondContact O-N 2.84Å; D127-K130 VanDerWaalsContact O-N 3.1Å; Y128-K130 VanDerWaalsContact C-N 3.29Å; Y128-K130 PolarHBondContact O-N 3.34Å; K130-S133 WeakPolarHBondContact O-CB 3.37Å; K130-S133 PolarHBondContact O-N 3.36Å; K130-G134 PolarHBondContact O-N 3.49Å |
| 131 | H | 94.1 | Very high | 91.2 | Very high | 98 Ų | 98 | 72 Ų | 72 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 177.2 | -81 | -75 | 0 | 0 | 0 | 111.9 | L101 D127 Y128 S133 G134 I135 | L101-H131 HydrophobicContact CD1-CB 3.57Å; L101-H131 HydrophobicContact CD2-CB 3.87Å; L101-H131 HydrophobicContact CG-CB 4.38Å; D127-H131 PolarHBondContact O-CD2 3.05Å; D127-H131 VanDerWaalsContact O-CD2 3.28Å; D127-H131 PolarHBondContact O-N 3.16Å; D127-H131 IonicContact OD2-CD2 3.7Å; D127-H131 IonicContact OD2-NE2 2.82Å; Y128-H131 PolarHBondContact O-N 2.89Å; Y128-H131 VanDerWaalsContact O-N 3.14Å; H131-S133 VanDerWaalsContact C-N 3.33Å; H131-S133 PolarHBondContact O-N 3.21Å; H131-G134 WeakPolarHBondContact O-CA 3.33Å; H131-G134 PolarHBondContact O-N 3.38Å; H131-G134 VanDerWaalsContact O-N 3.11Å; H131-I135 WeakPolarHBondContact O-CG1 3.45Å; H131-I135 PolarHBondContact O-N 3.46Å |
| 132 | L | 94.9 | Very high | 89.8 | Confident | 44 Ų | 44 | 71.5 Ų | 71.5 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 175.2 | -170.7 | 65.9 | 0 | 0 | 0 | 111.2 | L98 L101 Y128 G134 I135 N136 | L98-L132 HydrophobicContact CD1-CD1 3.77Å; L101-L132 HydrophobicContact CD2-CB 4.49Å; Y128-L132 HydrophobicContact CE1-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CD2 4.14Å; Y128-L132 WeakPolarHBondContact O-CB 3.5Å; Y128-L132 PolarHBondContact O-N 3.15Å; L132-G134 VanDerWaalsContact C-N 3.31Å; L132-G134 PolarHBondContact O-N 3.48Å; L132-I135 PolarHBondContact O-N 3.22Å; L132-N136 WeakPolarHBondContact O-CB 3.18Å; L132-N136 VanDerWaalsContact O-CG 3.26Å; L132-N136 PolarHBondContact O-N 3.12Å; L132-N136 PolarHBondContact O-ND2 3.04Å |
| 133 | S | 93.1 | Very high | 88.2 | Confident | 68 Ų | 68 | 71 Ų | 71 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 173.1 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | D129 K130 H131 S137 | D129-S133 WeakPolarHBondContact O-CB 3.22Å; D129-S133 PolarHBondContact O-N 3.32Å; D129-S133 PolarHBondContact O-OG 2.86Å; K130-S133 WeakPolarHBondContact O-CB 3.37Å; K130-S133 PolarHBondContact O-N 3.36Å; H131-S133 VanDerWaalsContact C-N 3.33Å; H131-S133 PolarHBondContact O-N 3.21Å; S133-S137 WeakPolarHBondContact O-CB 3.45Å; S133-S137 PolarHBondContact O-N 3.31Å; S133-S137 PolarHBondContact O-OG 3.19Å |
| 134 | G | 93.5 | Very high | 86.4 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 34% | 0.34 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | K130 H131 L132 S137 K138 | K130-G134 PolarHBondContact O-N 3.49Å; H131-G134 WeakPolarHBondContact O-CA 3.33Å; H131-G134 PolarHBondContact O-N 3.38Å; H131-G134 VanDerWaalsContact O-N 3.11Å; L132-G134 VanDerWaalsContact C-N 3.31Å; L132-G134 PolarHBondContact O-N 3.48Å; G134-S137 PolarHBondContact O-N 2.9Å; G134-K138 WeakPolarHBondContact O-CG 3.41Å; G134-K138 PolarHBondContact O-N 3.08Å |
| 135 | I | 92.3 | Very high | 84.2 | Confident | 13 Ų | 13 | 75.5 Ų | 75.5 | 7% | 0.067 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.4 | -46.9 | 175.4 | -64.6 | 169.2 | 0 | 0 | 0 | 110 | Y94 H97 L101 H131 L132 S137 K138 F139 | Y94-I135 HydrophobicContact CD2-CG2 3.41Å; Y94-I135 VanDerWaalsContact CD2-CG2 3.41Å; Y94-I135 HydrophobicContact CE2-CG2 3.49Å; Y94-I135 VanDerWaalsContact CE2-CG2 3.49Å; Y94-I135 HydrophobicContact CG-CG2 4.43Å; H97-I135 HydrophobicContact CB-CD1 4.05Å; H97-I135 HydrophobicContact CB-CG1 4.14Å; H97-I135 HydrophobicContact CB-CG2 4.23Å; L101-I135 HydrophobicContact CB-CD1 4.23Å; L101-I135 HydrophobicContact CD2-CD1 3.79Å; H131-I135 WeakPolarHBondContact O-CG1 3.45Å; H131-I135 PolarHBondContact O-N 3.46Å; L132-I135 PolarHBondContact O-N 3.22Å; I135-S137 PolarHBondContact O-N 3.07Å; I135-K138 PolarHBondContact O-N 3.03Å; I135-F139 HydrophobicContact CG2-CD2 4.21Å; I135-F139 PolarHBondContact O-N 3.01Å |
| 136 | N | 91.5 | Very high | 81.5 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 26% | 0.257 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61 | -33.4 | 177.3 | -71.2 | -20.3 | 0 | 0 | 0 | 112.4 | L132 F139 P140 | L132-N136 WeakPolarHBondContact O-CB 3.18Å; L132-N136 VanDerWaalsContact O-CG 3.26Å; L132-N136 PolarHBondContact O-N 3.12Å; L132-N136 PolarHBondContact O-ND2 3.04Å; N136-F139 CarbonylContact O-C 3.58Å; N136-P140 WeakPolarHBondContact O-CA 3.45Å |
| 137 | S | 90.3 | Very high | 78.7 | Confident | 96 Ų | 96 | 79.6 Ų | 79.6 | 67% | 0.671 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.2 | -32.4 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 113 | S133 G134 I135 | S133-S137 WeakPolarHBondContact O-CB 3.45Å; S133-S137 PolarHBondContact O-N 3.31Å; S133-S137 PolarHBondContact O-OG 3.19Å; G134-S137 PolarHBondContact O-N 2.9Å; I135-S137 PolarHBondContact O-N 3.07Å |
| 138 | K | 90 | Very high | 76 | Confident | 141 Ų | 141 | 82 Ų | 82 | 61% | 0.613 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -76.7 | -34 | 176.7 | -71.5 | 178.6 | 179.8 | -172.7 | 0 | 112.3 | G134 I135 P140 | G134-K138 WeakPolarHBondContact O-CG 3.41Å; G134-K138 PolarHBondContact O-N 3.08Å; I135-K138 PolarHBondContact O-N 3.03Å; K138-P140 VanDerWaalsContact C-CD 3.46Å; K138-P140 WeakPolarHBondContact O-CD 3.41Å |
| 139 | F | 88.2 | Confident | 72.8 | Confident | 16 Ų | 16 | 85.5 Ų | 85.5 | 7% | 0.07 | 50% | 0.497 | C | S | . | . | trans | -124.2 | 68.4 | -175.9 | -56 | -77.8 | 0 | 0 | 0 | 111.2 | E90 E93 Y94 H97 I135 N136 K141 Q142 | E90-F139 HydrophobicContact CB-CD1 4.15Å; E90-F139 WeakPolarHBondContact O-CD1 3.1Å; E93-F139 HydrophobicContact CB-CE1 3.82Å; E93-F139 HydrophobicContact CB-CZ 3.68Å; Y94-F139 HydrophobicContact CD2-CB 3.81Å; Y94-F139 AromaticContact CD2-CD2 3.92Å; Y94-F139 HydrophobicContact CD2-CD2 3.92Å; Y94-F139 HydrophobicContact CD2-CG 4.14Å; Y94-F139 HydrophobicContact CG-CB 4.35Å; Y94-F139 HydrophobicContact CG-CD2 4.41Å; Y94-F139 HydrophobicContact CG-CG 4.49Å; H97-F139 AromaticContact ND1-CE2 3.86Å; I135-F139 HydrophobicContact CG2-CD2 4.21Å; I135-F139 PolarHBondContact O-N 3.01Å; N136-F139 CarbonylContact O-C 3.58Å; F139-K141 PolarHBondContact O-N 2.65Å; F139-Q142 HydrophobicContact CB-CB 4.26Å; F139-Q142 HydrophobicContact CB-CG 4.25Å; F139-Q142 PolarHBondContact O-N 2.67Å; F139-Q142 VanDerWaalsContact O-N 3.15Å | ||
| 140 | P | 79.7 | Confident | 69.9 | Low | 84 Ų | 84 | 89 Ų | 89 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.5 | -172.8 | 22.3 | -32.9 | 0 | 0 | 0 | 113.1 | N136 K138 Q142 S143 | N136-P140 WeakPolarHBondContact O-CA 3.45Å; K138-P140 VanDerWaalsContact C-CD 3.46Å; K138-P140 WeakPolarHBondContact O-CD 3.41Å; P140-Q142 VanDerWaalsContact C-N 3.28Å; P140-Q142 PolarHBondContact O-N 3.31Å; P140-S143 PolarHBondContact O-N 3.37Å; P140-S143 PolarHBondContact O-OG 2.7Å |
| 141 | K | 69.9 | Low | 67.1 | Low | 137 Ų | 137 | 90 Ų | 90 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -24.3 | -179.1 | -61.3 | -175.2 | -161.1 | 137.2 | 0 | 113.9 | E90 F139 | E90-K141 IonicContact OE1-NZ 3.41Å; E90-K141 PolarHBondContact OE1-NZ 2.66Å; E90-K141 VanDerWaalsContact OE1-NZ 3.14Å; E90-K141 WeakPolarHBondContact OE2-CD 3.48Å; E90-K141 IonicContact OE2-NZ 3.14Å; E90-K141 PolarHBondContact OE2-NZ 2.95Å; F139-K141 PolarHBondContact O-N 2.65Å |
| 142 | Q | 62.7 | Low | 64.3 | Low | 34 Ų | 34 | 93.6 Ų | 93.6 | 16% | 0.159 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -23.8 | -176.5 | -69.1 | -106.6 | -62.2 | 0 | 0 | 112.5 | E91 Y94 F139 P140 S144 | E91-Q142 VanDerWaalsContact CA-NE2 3.27Å; E91-Q142 VanDerWaalsContact CA-OE1 3.31Å; Y94-Q142 HydrophobicContact CD1-CB 4.11Å; Y94-Q142 HydrophobicContact CD1-CG 4.41Å; Y94-Q142 HydrophobicContact CD2-CB 4Å; Y94-Q142 HydrophobicContact CE1-CB 4.33Å; Y94-Q142 HydrophobicContact CE2-CB 4.24Å; Y94-Q142 HydrophobicContact CG-CB 3.92Å; Y94-Q142 HydrophobicContact CG-CG 4.12Å; F139-Q142 HydrophobicContact CB-CB 4.26Å; F139-Q142 HydrophobicContact CB-CG 4.25Å; F139-Q142 PolarHBondContact O-N 2.67Å; F139-Q142 VanDerWaalsContact O-N 3.15Å; P140-Q142 VanDerWaalsContact C-N 3.28Å; P140-Q142 PolarHBondContact O-N 3.31Å; Q142-S144 PolarHBondContact O-N 3.43Å |
| 143 | S | 58 | Low | 61.4 | Low | 67 Ų | 67 | 101 Ų | 101 | 47% | 0.469 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -10.7 | 179.3 | 71.7 | 0 | 0 | 0 | 0 | 114.1 | P140 | P140-S143 PolarHBondContact O-N 3.37Å; P140-S143 PolarHBondContact O-OG 2.7Å |
| 144 | S | 52.9 | Low | 58.4 | Low | 98 Ų | 98 | 106.2 Ų | 106.2 | 69% | 0.685 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 10.8 | -173.9 | 76.6 | 0 | 0 | 0 | 0 | 115.2 | Q142 | Q142-S144 PolarHBondContact O-N 3.43Š|
| 145 | V | 47.4 | Very low | 55.5 | Low | 102 Ų | 102 | 113.8 Ų | 113.8 | 62% | 0.618 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -135 | 133.4 | 178.1 | -149.9 | 0 | 0 | 0 | 0 | 107.5 | ||
| 146 | D | 38.6 | Very low | 52.6 | Low | 150 Ų | 150 | 117.7 Ų | 117.7 | 80% | 0.802 | 65% | 0.648 | S | S | * | * | trans | 83.1 | 36.6 | -171.7 | -56.6 | -21.8 | 0 | 0 | 0 | 117.6 | ||||
| 147 | A | 34.8 | Very low | 50.1 | Low | 91 Ų | 91 | 120.8 Ų | 120.8 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | S | Bend | -76.1 | 102.5 | 125.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | P149 | A147-P149 WeakPolarHBondContact O-CD 3.39Å; A147-P149 VanDerWaalsContact O-N 3.09Å | |
| 148 | V | 36.9 | Very low | 47.5 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 74% | 0.739 | 68% | 0.68 | S | S | * | * | trans | -45.6 | 122.9 | 167.5 | 178.9 | 0 | 0 | 0 | 0 | 107 | L150 | V148-L150 VanDerWaalsContact C-N 3.26Å; V148-L150 PolarHBondContact O-N 2.84Å | ||
| 149 | P | 30.8 | Very low | 45 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -63.8 | 92.6 | 177.6 | -19.3 | 31.2 | 0 | 0 | 0 | 108.8 | A147 L151 | A147-P149 WeakPolarHBondContact O-CD 3.39Å; A147-P149 VanDerWaalsContact O-N 3.09Å; P149-L151 VanDerWaalsContact C-N 3.28Å; P149-L151 PolarHBondContact O-N 3.14Å | ||
| 150 | L | 33.2 | Very low | 42.6 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -58.8 | 101.6 | 155.9 | -179.8 | 68.3 | 0 | 0 | 0 | 105.2 | V148 E152 | V148-L150 VanDerWaalsContact C-N 3.26Å; V148-L150 PolarHBondContact O-N 2.84Å; L150-E152 PolarHBondContact O-N 3.46Å | ||
| 151 | L | 37.1 | Very low | 40.8 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -43.2 | 109 | -179.6 | -124.1 | 156.6 | 0 | 0 | 0 | 109.8 | P149 K153 | P149-L151 VanDerWaalsContact C-N 3.28Å; P149-L151 PolarHBondContact O-N 3.14Å; L151-K153 PolarHBondContact O-N 3.15Å | ||
| 152 | E | 33.8 | Very low | 39.2 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | -54.4 | 126 | 174.1 | -78.1 | 177.7 | 108.2 | 0 | 0 | 110.5 | L150 | L150-E152 PolarHBondContact O-N 3.46Š| ||
| 153 | K | 33.8 | Very low | 38 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | -138.7 | 99.2 | 125.5 | -152.1 | 173 | -176.2 | 178.7 | 0 | 108.7 | L151 | L151-K153 PolarHBondContact O-N 3.15Š| |||
| 154 | K | 31.2 | Very low | 37 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | trans | 17.8 | 115.5 | 151.6 | -68.2 | 178.4 | 174.5 | 179.9 | 0 | 115.4 | ||||
| 155 | E | 33.3 | Very low | 36.6 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | -172 | 136.2 | 106.4 | -100.2 | 169.1 | -165.5 | 0 | 0 | 111.5 | |||||
| 156 | A | 31 | Very low | 36.3 | Very low | 94 Ų | 94 | 150.7 Ų | 150.7 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -63.2 | 133.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 157 | S | 37.8 | Very low | 36.4 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -157.5 | 92.6 | 146.9 | -91.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 158 | S | 36.3 | Very low | 36.8 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -22.3 | 124.3 | 142.7 | 34.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 159 | R | 37.2 | Very low | 37 | Very low | 249 Ų | 249 | 154.2 Ų | 154.2 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | -104.1 | 97.4 | 150.7 | -104.1 | -176 | -177.7 | -163 | 1.4 | 107.4 | ||||
| 160 | L | 38.6 | Very low | 37.4 | Very low | 168 Ų | 168 | 155 Ų | 155 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | trans | -121.7 | 145.3 | 145.6 | -88.4 | 174.6 | 0 | 0 | 0 | 109.1 | ||||
| 161 | I | 41.4 | Very low | 37.6 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | trans | -85.8 | 130.7 | -164.6 | -69.2 | 159.2 | 0 | 0 | 0 | 109.1 | ||||
| 162 | A | 35.8 | Very low | 37.6 | Very low | 84 Ų | 84 | 149.6 Ų | 149.6 | 69% | 0.694 | 82% | 0.822 | S | S | * | * | trans | 61.4 | 136.9 | 142.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 163 | K | 39 | Very low | 37.8 | Very low | 192 Ų | 192 | 148.8 Ų | 148.8 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 101.7 | 90.8 | 148.5 | -74.2 | -179.5 | 176.5 | -178.2 | 0 | 119.6 | ||||
| 164 | T | 36.1 | Very low | 38.1 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | 43.1 | 135.2 | 117.2 | -16.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 165 | S | 45 | Very low | 38.6 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | 87.8 | 109 | 150 | 30.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 166 | E | 40.3 | Very low | 39.1 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -52 | 137 | 157.5 | -66.8 | 162.9 | 129.4 | 0 | 0 | 112.8 | ||||
| 167 | A | 42 | Very low | 39.6 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | -173.8 | 141.9 | 115.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 168 | I | 42 | Very low | 40 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -72.3 | 136.9 | -170.8 | -58.2 | 163.9 | 0 | 0 | 0 | 109.6 | ||||
| 169 | E | 40.8 | Very low | 40.7 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | 163.8 | 124.6 | 125.2 | -83.9 | -177.6 | -171.2 | 0 | 0 | 113.2 | |||||
| 170 | T | 40.7 | Very low | 41.4 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | 67.3 | 141.9 | 151.2 | 26.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 171 | P | 36.5 | Very low | 42 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -106.6 | 148.7 | -165.5 | 39.1 | -28.8 | 0 | 0 | 0 | 114.8 | ||||
| 172 | A | 36.7 | Very low | 42.8 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 178.9 | 128.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 173 | N | 38.9 | Very low | 43.1 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 63 | 117.5 | 145.4 | -76.6 | -9 | 0 | 0 | 0 | 124.2 | ||||
| 174 | S | 39.7 | Very low | 43.5 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | 87.9 | 117.6 | 124.7 | 68.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 175 | A | 42.5 | Very low | 43.7 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 80.7 | 127.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 176 | P | 42.4 | Very low | 44 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -101.6 | 166.8 | -177.5 | 40.4 | -33.2 | 0 | 0 | 0 | 113.4 | ||||
| 177 | N | 41.2 | Very low | 44.4 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | 175.1 | 157 | 145.7 | -83.7 | -27.1 | 0 | 0 | 0 | 113.4 | ||||
| 178 | S | 46.2 | Very low | 44.2 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 95.2 | 96.6 | 171.5 | -159.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 179 | I | 52.5 | Low | 44.5 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | 51.9 | 112 | 67.3 | -52.1 | 178 | 0 | 0 | 0 | 113.4 | V181 | I179-V181 HydrophobicContact CG2-CG2 4.31Š| |||
| 180 | F | 51.1 | Low | 44.8 | Very low | 209 Ų | 209 | 132.3 Ų | 132.3 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -130.2 | 124.8 | 160.3 | -94.1 | -86 | 0 | 0 | 0 | 109 | ||||
| 181 | V | 51.8 | Low | 45 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -116.8 | 131.6 | 172 | 172.3 | 0 | 0 | 0 | 0 | 106.6 | I179 | I179-V181 HydrophobicContact CG2-CG2 4.31Š| ||
| 182 | F | 57.8 | Low | 45.3 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -119.6 | 104 | 170.8 | -170.1 | -102.4 | 0 | 0 | 0 | 109.1 | N184 | F182-N184 HydrophobicContact CE1-CB 4.36Š| ||
| 183 | G | 41.3 | Very low | 45.4 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -113 | 131.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 184 | N | 49 | Very low | 45.4 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -113.7 | 114.5 | 170.8 | -167.2 | 46.6 | 0 | 0 | 0 | 108.1 | F182 | F182-N184 HydrophobicContact CE1-CB 4.36Š| ||
| 185 | S | 40.2 | Very low | 45.5 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -110.5 | 130 | 171 | 19.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 186 | I | 49.5 | Very low | 45.2 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -116.4 | 143.4 | 170.1 | -126.6 | 166.2 | 0 | 0 | 0 | 110 | ||||
| 187 | S | 50.4 | Low | 44.9 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -88.9 | 150.4 | -152.5 | -36.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 188 | K | 37.8 | Very low | 44.8 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | trans | -56.2 | 144.9 | 170 | -169 | 172.5 | -172.2 | 170.8 | 0 | 114.2 | ||||
| 189 | S | 48 | Very low | 44.3 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -140.6 | 141.5 | 146.5 | 64 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 190 | T | 46.1 | Very low | 43.4 | Very low | 110 Ų | 110 | 129 Ų | 129 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | -146.9 | 171 | -178.2 | 30.3 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 191 | P | 44.9 | Very low | 42.8 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | cis | -132.6 | -176.5 | -24.8 | 32.9 | -12.8 | 0 | 0 | 0 | 111.1 | ||||
| 192 | I | 44.1 | Very low | 42.5 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | trans | -160.8 | 136.6 | 146.5 | -100.1 | 149.4 | 0 | 0 | 0 | 109.5 | ||||
| 193 | S | 37.5 | Very low | 42.2 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -102.3 | 168.1 | -179.2 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 194 | S | 38.6 | Very low | 42.8 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 93.2 | 133.1 | 155.4 | 78.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 195 | G | 42.8 | Very low | 42.9 | Very low | 84 Ų | 84 | 129.5 Ų | 129.5 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | 143.1 | 107.4 | 166 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 196 | S | 36.8 | Very low | 43.4 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -89.8 | 145.8 | -176.6 | 165.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 197 | S | 36.3 | Very low | 43.5 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | 64.8 | 139.3 | 142.5 | 63.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 198 | T | 38 | Very low | 43.8 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 104.9 | 115.4 | 152.2 | 66.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 199 | D | 35.7 | Very low | 44.7 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 62 | 122.1 | 140 | -90.4 | -5.2 | 0 | 0 | 0 | 123.6 | ||||
| 200 | C | 33.2 | Very low | 44.7 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | 72.3 | 117.5 | 128 | -64.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 201 | T | 39.4 | Very low | 45.5 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 60.9 | 109.4 | 134.8 | 62.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 202 | D | 44.5 | Very low | 46.5 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | 164.1 | 132.3 | 102 | -101.7 | -20.3 | 0 | 0 | 0 | 113.4 | |||||
| 203 | K | 51.7 | Low | 47.2 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 59.4 | 118.6 | 138.2 | -60.9 | 169.3 | -177 | 132.1 | 0 | 120.5 | ||||
| 204 | K | 54.6 | Low | 47.7 | Very low | 206 Ų | 206 | 132.1 Ų | 132.1 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | -177.1 | 156.4 | 114 | -96.6 | 165.8 | -173.3 | -178.4 | 0 | 111.5 | |||||
| 205 | P | 50.9 | Low | 48.2 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | -101 | 154.7 | -114.2 | 35.8 | -36.1 | 0 | 0 | 0 | 115.8 | |||
| 206 | I | 51.3 | Low | 48.2 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 133 | 171 | -151.4 | 97.3 | 0 | 0 | 0 | 109.1 | ||
| 207 | F | 51.3 | Low | 48.5 | Very low | 185 Ų | 185 | 135 Ų | 135 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 123.3 | 175.1 | -161.9 | -97.7 | 0 | 0 | 0 | 108.8 | F209 | F207-F209 HydrophobicContact CD1-CD2 4.36Å; F207-F209 AromaticContact CE1-CD2 3.79Å; F207-F209 HydrophobicContact CE1-CD2 3.79Å; F207-F209 AromaticContact CE1-CE2 3.8Å; F207-F209 HydrophobicContact CE1-CE2 3.8Å |
| 208 | S | 55.2 | Low | 49 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -127.6 | 113 | -179.1 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | G210 | S208-G210 PolarHBondContact O-N 3.38Š| ||
| 209 | F | 58.6 | Low | 49.3 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 80% | 0.803 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116 | 169.4 | -111.6 | -97 | 0 | 0 | 0 | 109 | F207 L211 | F207-F209 HydrophobicContact CD1-CD2 4.36Å; F207-F209 AromaticContact CE1-CD2 3.79Å; F207-F209 HydrophobicContact CE1-CD2 3.79Å; F207-F209 AromaticContact CE1-CE2 3.8Å; F207-F209 HydrophobicContact CE1-CE2 3.8Å; F209-L211 PolarHBondContact O-N 3.29Å |
| 210 | G | 46.4 | Very low | 49.8 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 117.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S208 | S208-G210 PolarHBondContact O-N 3.38Š|
| 211 | L | 62.6 | Low | 50.3 | Low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 137.7 | 150.9 | -84.8 | 85.6 | 0 | 0 | 0 | 108.2 | F209 | F209-L211 PolarHBondContact O-N 3.29Š|
| 212 | P | 66.8 | Low | 50.7 | Low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 144.4 | 172.7 | 29.1 | -32.6 | 0 | 0 | 0 | 111.3 | ||
| 213 | P | 58.8 | Low | 51.2 | Low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 130.9 | 178.2 | 29.4 | -31.5 | 0 | 0 | 0 | 111.2 | T215 | P213-T215 PolarHBondContact O-N 3.5Š|
| 214 | I | 48.2 | Very low | 51.1 | Low | 170 Ų | 170 | 138.7 Ų | 138.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 116.5 | 170.8 | -70 | 171.9 | 0 | 0 | 0 | 108.7 | ||
| 215 | T | 48.3 | Very low | 50.8 | Low | 130 Ų | 130 | 135.3 Ų | 135.3 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 124.4 | 165 | 46.3 | 0 | 0 | 0 | 0 | 111 | P213 | P213-T215 PolarHBondContact O-N 3.5Š|
| 216 | T | 43.8 | Very low | 50.9 | Low | 123 Ų | 123 | 138.6 Ų | 138.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -38.8 | 126.8 | 168.4 | -40.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 217 | T | 43.3 | Very low | 51 | Low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 157.9 | 123.6 | 117.6 | 38.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 218 | S | 45.4 | Very low | 51.6 | Low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 52.1 | 108.4 | 148.5 | 64.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 219 | N | 46.1 | Very low | 52.1 | Low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | 164.8 | 130 | 102.4 | -86.6 | -32.8 | 0 | 0 | 0 | 112.1 | |||||
| 220 | K | 45.8 | Very low | 51.8 | Low | 184 Ų | 184 | 136.4 Ų | 136.4 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | 25.3 | 117.3 | 145.6 | -51.5 | -178.6 | -178.1 | 179.9 | 0 | 118.4 | ||||
| 221 | F | 42.1 | Very low | 52.3 | Low | 208 Ų | 208 | 139.7 Ų | 139.7 | 91% | 0.912 | 78% | 0.78 | S | S | * | * | 170.5 | 154 | 113.5 | -112.2 | -101.7 | 0 | 0 | 0 | 112.2 | |||||
| 222 | S | 48.3 | Very low | 51.6 | Low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | trans | -35.8 | 149.1 | -179.6 | 155.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 223 | P | 56.2 | Low | 50.4 | Low | 133 Ų | 133 | 137.1 Ų | 137.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -87 | 122.4 | 165.4 | 34 | -26.8 | 0 | 0 | 0 | 110.2 | ||||
| 224 | S | 49.3 | Very low | 50 | Low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -128.8 | 138.8 | 167.5 | 179 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 225 | L | 48.4 | Very low | 50 | Low | 134 Ų | 134 | 138.7 Ų | 138.7 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | 67.9 | 100.2 | 162.7 | -98.4 | 62.8 | 0 | 0 | 0 | 118.2 | Q227 | L225-Q227 PolarHBondContact O-N 3.48Š| ||
| 226 | F | 53.2 | Low | 50.3 | Low | 198 Ų | 198 | 141.8 Ų | 141.8 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -62.3 | 116.8 | 145.2 | -75.9 | -87.9 | 0 | 0 | 0 | 108.9 | ||||
| 227 | Q | 53.3 | Low | 50.4 | Low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -125.4 | 109 | 169.2 | -165.2 | 135.3 | -64.4 | 0 | 0 | 108.2 | L225 | L225-Q227 PolarHBondContact O-N 3.48Š| ||
| 228 | F | 64.3 | Low | 50.2 | Low | 176 Ų | 176 | 145.1 Ų | 145.1 | 77% | 0.772 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 140.2 | 172 | -66.1 | -88.2 | 0 | 0 | 0 | 109.3 | S230 | F228-S230 PolarHBondContact O-N 3.18Š|
| 229 | P | 65.9 | Low | 50.2 | Low | 120 Ų | 120 | 145.1 Ų | 145.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 117.6 | 172 | 29.4 | -29.5 | 0 | 0 | 0 | 109 | V231 | P229-V231 PolarHBondContact O-N 2.84Š|
| 230 | S | 51.2 | Low | 49.9 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 119.8 | 163.6 | 178.9 | 0 | 0 | 0 | 0 | 110 | F228 | F228-S230 PolarHBondContact O-N 3.18Š|
| 231 | V | 57.2 | Low | 49.9 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 120 | 155.5 | -70.5 | 0 | 0 | 0 | 0 | 107.7 | P229 | P229-V231 PolarHBondContact O-N 2.84Š|
| 232 | S | 47.1 | Very low | 50.4 | Low | 97 Ų | 97 | 141.3 Ų | 141.3 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 144.1 | -174 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 233 | S | 42.8 | Very low | 50.5 | Low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | 77.3 | 91.4 | 141.6 | -55 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 234 | F | 49.7 | Very low | 49.9 | Very low | 212 Ų | 212 | 144.4 Ų | 144.4 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -137.2 | 94.4 | 143.3 | -167 | -103.2 | 0 | 0 | 0 | 109.4 | ||||
| 235 | S | 47.6 | Very low | 49.6 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 105.9 | 165.6 | -177.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 236 | Q | 56.3 | Low | 49.2 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -157.8 | 133 | 150.3 | -109.1 | 165.6 | 13.2 | 0 | 0 | 112.2 | ||||
| 237 | K | 46.1 | Very low | 48.6 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -60.9 | 160.7 | -178.2 | -173.2 | -179.3 | -170.9 | -176.2 | 0 | 114.1 | ||||
| 238 | P | 38.6 | Very low | 48 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -89.2 | 144.5 | 179.3 | 35.4 | -32.7 | 0 | 0 | 0 | 112.7 | ||||
| 239 | A | 44.8 | Very low | 46.9 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -175.1 | 108.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 240 | N | 41.2 | Very low | 46 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 47.1 | 143.7 | 132.4 | -133.7 | -18.4 | 0 | 0 | 0 | 122.8 | ||||
| 241 | L | 44.4 | Very low | 45.6 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 103.3 | 83.4 | 158.5 | -56.1 | 158 | 0 | 0 | 0 | 118.1 | ||||
| 242 | D | 52.7 | Low | 45 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 27.4 | 155.6 | 120.7 | -83.7 | -24.5 | 0 | 0 | 0 | 123.9 | |||||
| 243 | P | 50.2 | Low | 44.8 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -123.8 | 174.1 | -128.2 | 42.8 | -30.9 | 0 | 0 | 0 | 114.9 | |||||
| 244 | K | 43.6 | Very low | 45 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | 174 | 131.4 | 133.8 | -99.4 | 171.5 | -177.7 | 179.5 | 0 | 115.7 | ||||
| 245 | Q | 43.6 | Very low | 45.3 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | trans | 80.7 | 120.9 | 132.4 | -80.3 | 178.3 | -32.2 | 0 | 0 | 123.7 | ||||
| 246 | N | 40.4 | Very low | 45.8 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | 75.1 | 145.5 | 128.7 | -79 | 9.2 | 0 | 0 | 0 | 120.1 | |||||
| 247 | T | 39.7 | Very low | 46.2 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 58% | 0.577 | 77% | 0.77 | S | S | * | * | cis | -170.8 | 160.2 | -25.8 | -42 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 248 | N | 40.8 | Very low | 47.5 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 84.9 | 106.6 | 151.5 | -66.2 | -21.7 | 0 | 0 | 0 | 119 | ||||
| 249 | N | 41.6 | Very low | 49.1 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | 141.8 | 134.1 | 79.1 | -100.9 | -12.1 | 0 | 0 | 0 | 114.2 | |||||
| 250 | Q | 46 | Very low | 50.4 | Low | 164 Ų | 164 | 147.1 Ų | 147.1 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | 71.9 | 143.5 | 150.5 | -62.6 | 171.1 | 28 | 0 | 0 | 118.2 | ||||
| 251 | Q | 44 | Very low | 52.1 | Low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | cis | 180 | 143 | -11.5 | 174.4 | 152.3 | -7.1 | 0 | 0 | 105.5 | ||||
| 252 | G | 42.9 | Very low | 53.6 | Low | 68 Ų | 68 | 141.8 Ų | 141.8 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 136.6 | 89.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 253 | D | 43.6 | Very low | 54.4 | Low | 150 Ų | 150 | 143.1 Ų | 143.1 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | 88.2 | 123.2 | 74.1 | -159.5 | 38.1 | 0 | 0 | 0 | 111.9 | |||||
| 254 | D | 48.2 | Very low | 55.5 | Low | 131 Ų | 131 | 143.6 Ų | 143.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 71.4 | 128.5 | 166 | -79.5 | -22.5 | 0 | 0 | 0 | 123.5 | ||||
| 255 | D | 54.5 | Low | 56.5 | Low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | trans | 79.9 | 56.1 | 156.6 | -61.4 | -25.6 | 0 | 0 | 0 | 120.6 | ||||
| 256 | D | 58.4 | Low | 57.4 | Low | 172 Ų | 172 | 141.7 Ų | 141.7 | 92% | 0.92 | 75% | 0.746 | S | S | * | * | trans | -104.7 | 68.2 | 160.8 | -73.9 | -40.7 | 0 | 0 | 0 | 111.6 | ||||
| 257 | E | 65 | Low | 58.5 | Low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -92.5 | 87.3 | 157.8 | -76.7 | -173.1 | 174.2 | 0 | 0 | 108.9 | Y259 | E257-Y259 PolarHBondContact O-N 3.09Š| ||
| 258 | E | 72.5 | Confident | 59.6 | Low | 182 Ų | 182 | 145.6 Ų | 145.6 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -61.1 | 103 | 176 | -172 | 167.2 | -170.2 | 0 | 0 | 110.2 | I260 | E258-I260 PolarHBondContact O-N 3.3Š| ||
| 259 | Y | 73.2 | Confident | 60.6 | Low | 182 Ų | 182 | 144.5 Ų | 144.5 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | trans | -59.2 | 106.2 | 175.6 | 177.5 | -99.7 | 0 | 0 | 0 | 110.1 | E257 P261 | E257-Y259 PolarHBondContact O-N 3.09Å; Y259-P261 HydrophobicContact CD1-CG 4.11Å; Y259-P261 HydrophobicContact CE1-CB 4.15Å; Y259-P261 HydrophobicContact CE1-CG 3.92Å; Y259-P261 VanDerWaalsContact O-CD 3.28Å; Y259-P261 WeakPolarHBondContact O-CD 2.89Å | ||
| 260 | I | 72.8 | Confident | 61.9 | Low | 131 Ų | 131 | 147.7 Ų | 147.7 | 67% | 0.672 | 75% | 0.752 | S | S | * | * | trans | -87.1 | 109.7 | 169.9 | -56.1 | 173.7 | 0 | 0 | 0 | 107.3 | E258 | E258-I260 PolarHBondContact O-N 3.3Š| ||
| 261 | P | 76.9 | Confident | 63 | Low | 83 Ų | 83 | 140.8 Ų | 140.8 | 54% | 0.539 | 72% | 0.72 | S | S | . | * | trans | -56.4 | 136 | 176.7 | -22.6 | 33.1 | 0 | 0 | 0 | 110.2 | Y259 K263 | Y259-P261 HydrophobicContact CD1-CG 4.11Å; Y259-P261 HydrophobicContact CE1-CB 4.15Å; Y259-P261 HydrophobicContact CE1-CG 3.92Å; Y259-P261 VanDerWaalsContact O-CD 3.28Å; Y259-P261 WeakPolarHBondContact O-CD 2.89Å; P261-K263 PolarHBondContact O-N 3.34Å | ||
| 262 | P | 74.1 | Confident | 64.5 | Low | 105 Ų | 105 | 140.4 Ų | 140.4 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | trans | -52.7 | 111.5 | 178.3 | -24.4 | 32 | 0 | 0 | 0 | 109.9 | P264 | P262-P264 WeakPolarHBondContact O-CD 3.44Å; P262-P264 VanDerWaalsContact O-N 3.16Å | ||
| 263 | K | 70.9 | Confident | 66.3 | Low | 182 Ų | 182 | 140 Ų | 140 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -61.7 | 117.8 | 175.6 | -73.3 | 177.1 | -177 | 169.4 | 0 | 106.9 | P261 E265 | P261-K263 PolarHBondContact O-N 3.34Å; K263-E265 PolarHBondContact O-N 2.87Å | ||
| 264 | P | 72 | Confident | 68.4 | Low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 69% | 0.686 | S | S | * | * | trans | -58.2 | 113.7 | 175.2 | -21 | 32.5 | 0 | 0 | 0 | 108.2 | P262 V266 | P262-P264 WeakPolarHBondContact O-CD 3.44Å; P262-P264 VanDerWaalsContact O-N 3.16Å; P264-V266 VanDerWaalsContact C-N 3.33Å; P264-V266 PolarHBondContact O-N 3.25Å | ||
| 265 | E | 66.2 | Low | 70.3 | Confident | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 68% | 0.675 | S | S | * | * | trans | -68.7 | 96.1 | 174.5 | -166.7 | 178.6 | -178.6 | 0 | 0 | 107.2 | K263 K267 | K263-E265 PolarHBondContact O-N 2.87Å; E265-K267 PolarHBondContact O-N 3.33Å | ||
| 266 | V | 62.4 | Low | 72.1 | Confident | 116 Ų | 116 | 127 Ų | 127 | 70% | 0.703 | 65% | 0.647 | S | S | * | * | trans | -69.2 | 87.8 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 106.3 | P264 D268 | P264-V266 VanDerWaalsContact C-N 3.33Å; P264-V266 PolarHBondContact O-N 3.25Å; V266-D268 VanDerWaalsContact C-N 3.32Å; V266-D268 PolarHBondContact O-N 2.98Å | ||
| 267 | K | 63.4 | Low | 73.8 | Confident | 182 Ų | 182 | 122.1 Ų | 122.1 | 79% | 0.791 | 62% | 0.624 | S | S | * | * | trans | -69.5 | 95.8 | 171.9 | -171.3 | 171.5 | -175.4 | 170.9 | 0 | 107.2 | E265 F269 | E265-K267 PolarHBondContact O-N 3.33Å; K267-F269 PolarHBondContact O-N 3.34Å | ||
| 268 | D | 61.4 | Low | 75.3 | Confident | 136 Ų | 136 | 114.4 Ų | 114.4 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | trans | -54 | 109.3 | 170.9 | -73.3 | -25.3 | 0 | 0 | 0 | 108.2 | V266 K270 | V266-D268 VanDerWaalsContact C-N 3.32Å; V266-D268 PolarHBondContact O-N 2.98Å; D268-K270 VanDerWaalsContact C-N 3.28Å; D268-K270 PolarHBondContact O-N 3.02Å | ||
| 269 | F | 61.9 | Low | 76.4 | Confident | 106 Ų | 106 | 112.6 Ų | 112.6 | 47% | 0.465 | 58% | 0.575 | S | S | . | * | trans | -72.7 | 86.9 | -177.7 | -166.9 | -85.8 | 0 | 0 | 0 | 108.7 | K267 E271 F299 R313 | K267-F269 PolarHBondContact O-N 3.34Å; F269-E271 HydrophobicContact CD1-CB 4.32Å; F269-E271 HydrophobicContact CE1-CB 3.95Å; F269-E271 HydrophobicContact CE1-CG 4.06Å; F269-E271 PolarHBondContact O-N 3.37Å; F269-F299 WeakPolarHBondContact O-CZ 3.2Å; F269-R313 VanDerWaalsContact CE1-NH1 3.25Å; F269-R313 VanDerWaalsContact CZ-CZ 3.48Å | ||
| 270 | K | 68.8 | Low | 77.5 | Confident | 190 Ų | 190 | 104.2 Ų | 104.2 | 83% | 0.826 | 54% | 0.543 | S | S | * | . | trans | -82.1 | 111.8 | 169.7 | -170.3 | 175.9 | -177.5 | -178.2 | 0 | 108.3 | D268 | D268-K270 VanDerWaalsContact C-N 3.28Å; D268-K270 PolarHBondContact O-N 3.02Å | ||
| 271 | E | 69.8 | Low | 78.6 | Confident | 20 Ų | 20 | 100.9 Ų | 100.9 | 9% | 0.093 | 52% | 0.524 | C | S | . | . | trans | -82.6 | 128.1 | -178.9 | -164.7 | 166.1 | 173.2 | 0 | 0 | 111.8 | F269 G273 S274 F299 K301 L311 R313 | F269-E271 HydrophobicContact CD1-CB 4.32Å; F269-E271 HydrophobicContact CE1-CB 3.95Å; F269-E271 HydrophobicContact CE1-CG 4.06Å; F269-E271 PolarHBondContact O-N 3.37Å; E271-G273 PolarHBondContact O-N 3.22Å; E271-S274 PolarHBondContact O-N 3.43Å; E271-F299 HydrophobicContact CB-CD1 4.03Å; E271-F299 HydrophobicContact CB-CE1 4.1Å; E271-F299 HydrophobicContact CB-CG 4.28Å; E271-F299 HydrophobicContact CB-CZ 4.42Å; E271-K301 VanDerWaalsContact CD-CE 3.48Å; E271-K301 VanDerWaalsContact CD-NZ 3.3Å; E271-K301 VanDerWaalsContact OE1-CE 3.29Å; E271-K301 WeakPolarHBondContact OE1-CE 3.45Å; E271-K301 IonicContact OE1-NZ 3.1Å; E271-K301 PolarHBondContact OE1-NZ 2.93Å; E271-L311 WeakPolarHBondContact OE1-CD2 3.31Å; E271-L311 WeakPolarHBondContact OE2-CD2 3.25Å; E271-R313 IonicContact OE1-CZ 3.17Å; E271-R313 IonicContact OE1-NE 3.45Å; E271-R313 IonicContact OE1-NH2 2.67Å; E271-R313 PolarHBondContact OE1-NH2 3.46Å; E271-R313 IonicContact OE2-CZ 2.64Å; E271-R313 IonicContact OE2-NE 2.74Å; E271-R313 PolarHBondContact OE2-NE 2.91Å; E271-R313 IonicContact OE2-NH2 2.79Å; E271-R313 PolarHBondContact OE2-NH2 3.4Å | ||
| 272 | E | 75.8 | Confident | 79.6 | Confident | 179 Ų | 179 | 96.9 Ų | 96.9 | 84% | 0.836 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 131.9 | 179.8 | -61.6 | -175.4 | -179.1 | 0 | 0 | 111.3 | K301 | E272-K301 PolarHBondContact O-NZ 3.05Å; E272-K301 VanDerWaalsContact O-NZ 3.14Å |
| 273 | G | 80.7 | Confident | 80.7 | Confident | 58 Ų | 58 | 93.5 Ų | 93.5 | 60% | 0.598 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 4.1 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | E271 | E271-G273 PolarHBondContact O-N 3.22Š|
| 274 | S | 86.9 | Confident | 81.8 | Confident | 31 Ų | 31 | 85.9 Ų | 85.9 | 22% | 0.217 | 44% | 0.439 | C | S | . | . | trans | -80.9 | 129.5 | 174.5 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | E271 F276 I300 | E271-S274 PolarHBondContact O-N 3.43Å; S274-F276 PolarHBondContact OG-O 3.3Å; S274-I300 CarbonylContact C-O 3.49Å; S274-I300 VanDerWaalsContact CA-O 3.23Å; S274-I300 WeakPolarHBondContact CA-O 3.48Å; S274-I300 PolarHBondContact OG-N 3.19Å; S274-I300 PolarHBondContact OG-O 3.3Å | ||
| 275 | V | 89.6 | Confident | 82.9 | Confident | 80 Ų | 80 | 83.9 Ų | 83.9 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -84.1 | -34.9 | 174.6 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | I300 P302 H392 | V275-I300 PolarHBondContact N-O 3.45Å; V275-P302 VanDerWaalsContact CG2-CD 3.49Å; V275-P302 HydrophobicContact CG2-CG 3.62Å; V275-H392 WeakPolarHBondContact CG1-NE2 3.41Å |
| 276 | F | 92.3 | Very high | 84 | Confident | 43 Ų | 43 | 76 Ų | 76 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.7 | -177.5 | -175.6 | -100.9 | 0 | 0 | 0 | 110.6 | S274 T278 I300 T384 L385 Q388 | S274-F276 PolarHBondContact OG-O 3.3Å; F276-T278 HydrophobicContact CD1-CG2 4.49Å; F276-T278 HydrophobicContact CE1-CG2 3.75Å; F276-I300 HydrophobicContact CB-CB 4.05Å; F276-I300 HydrophobicContact CB-CD1 4.13Å; F276-I300 HydrophobicContact CB-CG1 4.34Å; F276-I300 HydrophobicContact CD1-CD1 3.93Å; F276-I300 HydrophobicContact CD1-CG1 4.43Å; F276-I300 HydrophobicContact CG-CD1 4.42Å; F276-I300 PolarHBondContact O-N 2.93Å; F276-T384 HydrophobicContact CE2-CG2 4.02Å; F276-T384 HydrophobicContact CZ-CG2 4.15Å; F276-L385 HydrophobicContact CD1-CD1 3.96Å; F276-L385 HydrophobicContact CE1-CB 4.2Å; F276-L385 HydrophobicContact CE1-CD1 3.79Å; F276-Q388 HydrophobicContact CB-CB 4.46Å; F276-Q388 HydrophobicContact CB-CG 4.33Å; F276-Q388 HydrophobicContact CD2-CG 3.96Å; F276-Q388 HydrophobicContact CE2-CG 4.38Å; F276-Q388 HydrophobicContact CG-CB 4.38Å; F276-Q388 HydrophobicContact CG-CG 4.02Å |
| 277 | T | 94.2 | Very high | 85.2 | Confident | 70 Ų | 70 | 77.6 Ų | 77.6 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.6 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | N297 L298 F299 | T277-N297 HydrophobicContact CG2-CB 4.32Å; T277-L298 CarbonylContact C-O 3.56Å; T277-L298 VanDerWaalsContact CA-O 3.23Å; T277-L298 WeakPolarHBondContact CA-O 3.26Å; T277-F299 HydrophobicContact CG2-CD1 3.78Å; T277-F299 HydrophobicContact CG2-CE1 3.46Å; T277-F299 VanDerWaalsContact CG2-CE1 3.46Å; T277-F299 HydrophobicContact CG2-CZ 4.17Å; T277-F299 VanDerWaalsContact OG1-CD1 3.3Å; T277-F299 WeakPolarHBondContact OG1-CD1 3.24Å |
| 278 | T | 94.8 | Very high | 86.3 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 18% | 0.184 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 145.9 | 174.5 | -165.7 | 0 | 0 | 0 | 0 | 111.6 | F276 L298 V376 L385 | F276-T278 HydrophobicContact CD1-CG2 4.49Å; F276-T278 HydrophobicContact CE1-CG2 3.75Å; T278-L298 HydrophobicContact CG2-CB 4.18Å; T278-L298 HydrophobicContact CG2-CD2 4.25Å; T278-L298 PolarHBondContact N-O 3.06Å; T278-L298 WeakPolarHBondContact O-CB 3.34Å; T278-L298 PolarHBondContact O-N 3.01Å; T278-V376 HydrophobicContact CG2-CG1 4.32Å; T278-L385 HydrophobicContact CG2-CD1 4.26Å; T278-L385 HydrophobicContact CG2-CD2 4.17Å |
| 279 | R | 95.7 | Very high | 87.9 | Confident | 145 Ų | 145 | 75 Ų | 75 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.4 | 177.3 | -165.3 | 171 | -171.1 | -167.6 | 1.9 | 109.9 | D315 | R279-D315 IonicContact CZ-OD2 2.86Å; R279-D315 IonicContact NE-OD2 3.74Å; R279-D315 PolarHBondContact NE-OD2 3.01Å; R279-D315 IonicContact NH2-OD2 2.79Å; R279-D315 PolarHBondContact NH2-OD2 3.45Å |
| 280 | C | 96.7 | Very high | 89.4 | Confident | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.034 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 162.2 | -174.9 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | G296 I374 R375 V376 | C280-G296 PolarHBondContact N-O 3.4Å; C280-G296 PolarHBondContact O-N 2.71Å; C280-I374 HydrophobicContact CB-CG2 3.76Å; C280-R375 CarbonylContact C-O 3.55Å; C280-R375 WeakPolarHBondContact CA-O 3.32Å; C280-V376 HydrophobicContact CB-CG1 4.26Å |
| 281 | K | 97 | Very high | 90.6 | Very high | 61 Ų | 61 | 69.5 Ų | 69.5 | 27% | 0.265 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.8 | 170.3 | -172.4 | 168.1 | 170.4 | 146.4 | 0 | 108.9 | F283 E292 R375 | K281-F283 HydrophobicContact CB-CE2 4.03Å; K281-F283 HydrophobicContact CD-CE2 4.02Å; K281-F283 HydrophobicContact CD-CZ 3.65Å; K281-F283 HydrophobicContact CG-CD2 4.45Å; K281-F283 HydrophobicContact CG-CE2 3.65Å; K281-F283 HydrophobicContact CG-CZ 3.76Å; K281-E292 WeakPolarHBondContact CE-OE1 3.13Å; K281-E292 WeakPolarHBondContact CE-OE2 3.34Å; K281-E292 IonicContact NZ-OE1 3.52Å; K281-E292 PolarHBondContact NZ-OE1 2.72Å; K281-E292 IonicContact NZ-OE2 3.64Å; K281-E292 PolarHBondContact NZ-OE2 3.45Å; K281-R375 PolarHBondContact N-O 3.28Å; K281-R375 PolarHBondContact O-N 2.97Å |
| 282 | L | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.2 | -174.3 | -173.2 | 66.3 | 0 | 0 | 0 | 110.7 | R293 G294 I312 L322 L323 M372 I374 | L282-R293 HydrophobicContact CB-CB 4.2Å; L282-R293 HydrophobicContact CD2-CB 4.06Å; L282-R293 HydrophobicContact CD2-CG 3.95Å; L282-R293 HydrophobicContact CG-CB 4.07Å; L282-R293 PolarHBondContact O-N 2.87Å; L282-G294 PolarHBondContact N-O 2.74Å; L282-I312 HydrophobicContact CD1-CD1 4.01Å; L282-I312 HydrophobicContact CD2-CD1 4.19Å; L282-L322 HydrophobicContact CD2-CB 4.15Å; L282-L323 HydrophobicContact CD1-CD2 4.33Å; L282-L323 HydrophobicContact CD2-CB 3.8Å; L282-L323 HydrophobicContact CD2-CD2 4.32Å; L282-M372 HydrophobicContact CD1-CE 3.82Å; L282-M372 HydrophobicContact CD2-CE 3.62Å; L282-M372 HydrophobicContact CG-CE 3.73Å; L282-I374 HydrophobicContact CD1-CG1 3.84Å |
| 283 | F | 96.7 | Very high | 92.6 | Very high | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 153.2 | 175.7 | -58.3 | -95.7 | 0 | 0 | 0 | 110.3 | K281 W290 K291 E292 M372 L373 R375 | K281-F283 HydrophobicContact CB-CE2 4.03Å; K281-F283 HydrophobicContact CD-CE2 4.02Å; K281-F283 HydrophobicContact CD-CZ 3.65Å; K281-F283 HydrophobicContact CG-CD2 4.45Å; K281-F283 HydrophobicContact CG-CE2 3.65Å; K281-F283 HydrophobicContact CG-CZ 3.76Å; F283-W290 HydrophobicContact CB-CE3 3.96Å; F283-K291 CarbonylContact C-O 3.57Å; F283-K291 VanDerWaalsContact CA-O 3.22Å; F283-K291 WeakPolarHBondContact CA-O 3.22Å; F283-E292 HydrophobicContact CD1-CB 4.25Å; F283-E292 HydrophobicContact CE1-CB 4.23Å; F283-M372 CarbonylContact O-C 3.59Å; F283-M372 WeakPolarHBondContact O-CA 3.44Å; F283-L373 HydrophobicContact CB-CB 4.26Å; F283-L373 HydrophobicContact CB-CD2 4.44Å; F283-L373 HydrophobicContact CD2-CD2 3.66Å; F283-L373 HydrophobicContact CE2-CD2 4.3Å; F283-L373 HydrophobicContact CG-CD2 4.37Å; F283-L373 PolarHBondContact N-O 3.43Å; F283-L373 PolarHBondContact O-N 2.87Å; F283-R375 HydrophobicContact CD2-CB 4.45Å; F283-R375 HydrophobicContact CE2-CB 3.93Å |
| 284 | Y | 95.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 66 Ų | 66 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145.7 | 176.2 | 63.4 | -78.5 | 0 | 0 | 0 | 109.7 | V286 K291 E292 R293 L350 M372 | Y284-V286 HydrophobicContact CD2-CG2 3.34Å; Y284-V286 HydrophobicContact CE2-CG2 3.27Å; Y284-K291 HydrophobicContact CD1-CB 4.17Å; Y284-K291 WeakPolarHBondContact CD1-O 3.48Å; Y284-K291 HydrophobicContact CD2-CB 4.36Å; Y284-K291 HydrophobicContact CE1-CB 3.66Å; Y284-K291 HydrophobicContact CE2-CB 3.9Å; Y284-K291 HydrophobicContact CE2-CD 4.34Å; Y284-K291 HydrophobicContact CG-CB 4.49Å; Y284-K291 PolarHBondContact N-O 3.45Å; Y284-K291 PolarHBondContact O-N 3.49Å; Y284-E292 WeakPolarHBondContact CE1-O 3.3Å; Y284-R293 HydrophobicContact CD1-CB 3.83Å; Y284-R293 HydrophobicContact CE1-CB 4.13Å; Y284-L350 HydrophobicContact CD1-CD2 4.18Å; Y284-L350 HydrophobicContact CD2-CD1 3.53Å; Y284-L350 HydrophobicContact CD2-CD2 4.09Å; Y284-L350 HydrophobicContact CD2-CG 4.32Å; Y284-L350 HydrophobicContact CE1-CD2 4.41Å; Y284-L350 HydrophobicContact CE2-CD1 4.16Å; Y284-L350 HydrophobicContact CE2-CD2 4.3Å; Y284-L350 HydrophobicContact CG-CD1 3.93Å; Y284-L350 HydrophobicContact CG-CD2 4.02Å; Y284-M372 WeakPolarHBondContact CB-SD 3.48Å |
| 285 | K | 93.7 | Very high | 93.7 | Very high | 73 Ų | 73 | 68 Ų | 68 | 32% | 0.317 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.5 | -178 | -166.7 | 173.1 | 175.2 | -179.2 | 0 | 110.9 | N288 E289 W290 P371 | K285-N288 VanDerWaalsContact CE-CA 3.46Å; K285-N288 WeakPolarHBondContact CE-OD1 3.13Å; K285-E289 CarbonylContact C-O 3.5Å; K285-E289 WeakPolarHBondContact CA-O 3.03Å; K285-W290 HydrophobicContact CB-CD2 4.38Å; K285-W290 HydrophobicContact CB-CE3 4.01Å; K285-W290 HydrophobicContact CB-CH2 4.23Å; K285-W290 HydrophobicContact CB-CZ3 3.92Å; K285-W290 HydrophobicContact CD-CZ2 4.34Å; K285-P371 HydrophobicContact CB-CB 4.07Å; K285-P371 HydrophobicContact CB-CG 4.33Å; K285-P371 PolarHBondContact N-O 3.31Å |
| 286 | V | 90.5 | Very high | 94 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.7 | 174 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | Y284 N288 E289 K291 | Y284-V286 HydrophobicContact CD2-CG2 3.34Å; Y284-V286 HydrophobicContact CE2-CG2 3.27Å; V286-N288 PolarHBondContact O-N 3Å; V286-N288 VanDerWaalsContact O-N 3.08Å; V286-E289 PolarHBondContact N-O 2.91Å; V286-E289 PolarHBondContact O-N 3.48Å; V286-E289 VanDerWaalsContact O-O 3.11Å; V286-K291 HydrophobicContact CB-CD 4.08Å; V286-K291 HydrophobicContact CG2-CD 4.11Å |
| 287 | D | 86.7 | Confident | 94.1 | Very high | 149 Ų | 149 | 64 Ų | 64 | 80% | 0.797 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 36.8 | 176.4 | -51.9 | -35.1 | 0 | 0 | 0 | 114.2 | E289 | D287-E289 VanDerWaalsContact C-N 3.26Å; D287-E289 PolarHBondContact O-N 3.31Å |
| 288 | N | 87.9 | Confident | 94.2 | Very high | 137 Ų | 137 | 60.6 Ų | 60.6 | 73% | 0.733 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 2.4 | -174.2 | -63.4 | -42.8 | 0 | 0 | 0 | 117.8 | K285 V286 | K285-N288 VanDerWaalsContact CE-CA 3.46Å; K285-N288 WeakPolarHBondContact CE-OD1 3.13Å; V286-N288 PolarHBondContact O-N 3Å; V286-N288 VanDerWaalsContact O-N 3.08Å |
| 289 | E | 93.5 | Very high | 94.2 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 59% | 0.593 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 146.1 | 175.8 | -166.9 | 179 | -169.1 | 0 | 0 | 111.5 | K285 V286 D287 | K285-E289 CarbonylContact C-O 3.5Å; K285-E289 WeakPolarHBondContact CA-O 3.03Å; V286-E289 PolarHBondContact N-O 2.91Å; V286-E289 PolarHBondContact O-N 3.48Å; V286-E289 VanDerWaalsContact O-O 3.11Å; D287-E289 VanDerWaalsContact C-N 3.26Å; D287-E289 PolarHBondContact O-N 3.31Å |
| 290 | W | 93.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 52.4 Ų | 52.4 | 39% | 0.386 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.2 | 174 | -70.5 | 104.3 | 0 | 0 | 0 | 110.5 | F283 K285 T341 P371 L373 | F283-W290 HydrophobicContact CB-CE3 3.96Å; K285-W290 HydrophobicContact CB-CD2 4.38Å; K285-W290 HydrophobicContact CB-CE3 4.01Å; K285-W290 HydrophobicContact CB-CH2 4.23Å; K285-W290 HydrophobicContact CB-CZ3 3.92Å; K285-W290 HydrophobicContact CD-CZ2 4.34Å; W290-T341 HydrophobicContact CH2-CG2 4.19Å; W290-P371 HydrophobicContact CH2-CB 4.31Å; W290-L373 HydrophobicContact CE3-CB 3.94Å; W290-L373 HydrophobicContact CH2-CB 3.62Å; W290-L373 HydrophobicContact CH2-CD1 4.25Å; W290-L373 HydrophobicContact CZ2-CB 4.29Å; W290-L373 HydrophobicContact CZ2-CD1 4.09Å; W290-L373 HydrophobicContact CZ3-CB 3.42Å; W290-L373 VanDerWaalsContact CZ3-CB 3.42Å |
| 291 | K | 94.3 | Very high | 94 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 34% | 0.335 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.5 | 174.7 | -67.3 | -175.9 | 179.8 | 172.9 | 0 | 110.6 | F283 Y284 V286 | F283-K291 CarbonylContact C-O 3.57Å; F283-K291 VanDerWaalsContact CA-O 3.22Å; F283-K291 WeakPolarHBondContact CA-O 3.22Å; Y284-K291 HydrophobicContact CD1-CB 4.17Å; Y284-K291 WeakPolarHBondContact CD1-O 3.48Å; Y284-K291 HydrophobicContact CD2-CB 4.36Å; Y284-K291 HydrophobicContact CE1-CB 3.66Å; Y284-K291 HydrophobicContact CE2-CB 3.9Å; Y284-K291 HydrophobicContact CE2-CD 4.34Å; Y284-K291 HydrophobicContact CG-CB 4.49Å; Y284-K291 PolarHBondContact N-O 3.45Å; Y284-K291 PolarHBondContact O-N 3.49Å; V286-K291 HydrophobicContact CB-CD 4.08Å; V286-K291 HydrophobicContact CG2-CD 4.11Å |
| 292 | E | 94.7 | Very high | 93.6 | Very high | 102 Ų | 102 | 53.9 Ų | 53.9 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.4 | 177 | 175.7 | 171.9 | -175.2 | 0 | 0 | 110.7 | K281 F283 Y284 | K281-E292 WeakPolarHBondContact CE-OE1 3.13Å; K281-E292 WeakPolarHBondContact CE-OE2 3.34Å; K281-E292 IonicContact NZ-OE1 3.52Å; K281-E292 PolarHBondContact NZ-OE1 2.72Å; K281-E292 IonicContact NZ-OE2 3.64Å; K281-E292 PolarHBondContact NZ-OE2 3.45Å; F283-E292 HydrophobicContact CD1-CB 4.25Å; F283-E292 HydrophobicContact CE1-CB 4.23Å; Y284-E292 WeakPolarHBondContact CE1-O 3.3Å |
| 293 | R | 92.9 | Very high | 93.1 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 25% | 0.253 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -39.1 | 172.4 | -173.4 | 60.4 | 178.3 | 102.3 | -5 | 112.1 | L282 Y284 L322 | L282-R293 HydrophobicContact CB-CB 4.2Å; L282-R293 HydrophobicContact CD2-CB 4.06Å; L282-R293 HydrophobicContact CD2-CG 3.95Å; L282-R293 HydrophobicContact CG-CB 4.07Å; L282-R293 PolarHBondContact O-N 2.87Å; Y284-R293 HydrophobicContact CD1-CB 3.83Å; Y284-R293 HydrophobicContact CE1-CB 4.13Å; R293-L322 HydrophobicContact CG-CD2 4.48Å |
| 294 | G | 94.9 | Very high | 92.3 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | 170.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L282 | L282-G294 PolarHBondContact N-O 2.74Å |
| 295 | L | 95.6 | Very high | 91.5 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.3 | 174 | -178.7 | 135.4 | 0 | 0 | 0 | 109.6 | D315 | L295-D315 HydrophobicContact CD2-CB 4.14Å; L295-D315 PolarHBondContact O-N 3.29Å |
| 296 | G | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 177.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C280 R313 | C280-G296 PolarHBondContact N-O 3.4Å; C280-G296 PolarHBondContact O-N 2.71Å; G296-R313 CarbonylContact C-O 3.59Å; G296-R313 WeakPolarHBondContact CA-O 3.43Å |
| 297 | N | 95.3 | Very high | 90.6 | Very high | 38 Ų | 38 | 71.1 Ų | 71.1 | 20% | 0.203 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.2 | 174.2 | -64.7 | -32.2 | 0 | 0 | 0 | 109 | T277 F299 I312 R313 | T277-N297 HydrophobicContact CG2-CB 4.32Å; N297-F299 HydrophobicContact CB-CE2 3.8Å; N297-F299 HydrophobicContact CB-CZ 3.73Å; N297-F299 WeakPolarHBondContact O-CD2 3.44Å; N297-F299 VanDerWaalsContact O-CE2 3.29Å; N297-F299 WeakPolarHBondContact O-CE2 3.27Å; N297-I312 WeakPolarHBondContact O-CA 3.22Å; N297-R313 PolarHBondContact N-O 2.94Å; N297-R313 PolarHBondContact O-N 3Å; N297-R313 VanDerWaalsContact O-N 3.07Å |
| 298 | L | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.3 | 174.8 | 178.6 | 157.9 | 0 | 0 | 0 | 108.7 | T277 T278 I300 L310 L311 I312 I374 L385 | T277-L298 CarbonylContact C-O 3.56Å; T277-L298 VanDerWaalsContact CA-O 3.23Å; T277-L298 WeakPolarHBondContact CA-O 3.26Å; T278-L298 HydrophobicContact CG2-CB 4.18Å; T278-L298 HydrophobicContact CG2-CD2 4.25Å; T278-L298 PolarHBondContact N-O 3.06Å; T278-L298 WeakPolarHBondContact O-CB 3.34Å; T278-L298 PolarHBondContact O-N 3.01Å; L298-I300 HydrophobicContact CD2-CD1 4.34Å; L298-I300 HydrophobicContact CD2-CG1 3.75Å; L298-L310 HydrophobicContact CD1-CD1 3.86Å; L298-L310 HydrophobicContact CD2-CD1 3.61Å; L298-L310 HydrophobicContact CG-CD1 3.64Å; L298-L311 CarbonylContact C-O 3.5Å; L298-L311 WeakPolarHBondContact CA-O 3.28Å; L298-I312 HydrophobicContact CB-CG1 4.11Å; L298-I312 HydrophobicContact CD1-CD1 4.17Å; L298-I312 HydrophobicContact CD1-CG1 4.32Å; L298-I312 HydrophobicContact CG-CG1 4.12Å; L298-I374 HydrophobicContact CD1-CD1 3.94Å; L298-I374 HydrophobicContact CD1-CG2 3.96Å; L298-L385 HydrophobicContact CD1-CD1 4.31Å; L298-L385 HydrophobicContact CD1-CD2 4.05Å; L298-L385 HydrophobicContact CD2-CD1 3.62Å |
| 299 | F | 95.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.4 | 179.2 | -58.2 | -81.7 | 0 | 0 | 0 | 109.4 | F269 E271 T277 N297 L311 R313 | F269-F299 WeakPolarHBondContact O-CZ 3.2Å; E271-F299 HydrophobicContact CB-CD1 4.03Å; E271-F299 HydrophobicContact CB-CE1 4.1Å; E271-F299 HydrophobicContact CB-CG 4.28Å; E271-F299 HydrophobicContact CB-CZ 4.42Å; T277-F299 HydrophobicContact CG2-CD1 3.78Å; T277-F299 HydrophobicContact CG2-CE1 3.46Å; T277-F299 VanDerWaalsContact CG2-CE1 3.46Å; T277-F299 HydrophobicContact CG2-CZ 4.17Å; T277-F299 VanDerWaalsContact OG1-CD1 3.3Å; T277-F299 WeakPolarHBondContact OG1-CD1 3.24Å; N297-F299 HydrophobicContact CB-CE2 3.8Å; N297-F299 HydrophobicContact CB-CZ 3.73Å; N297-F299 WeakPolarHBondContact O-CD2 3.44Å; N297-F299 VanDerWaalsContact O-CE2 3.29Å; N297-F299 WeakPolarHBondContact O-CE2 3.27Å; F299-L311 HydrophobicContact CB-CB 4.43Å; F299-L311 PolarHBondContact N-O 3.45Å; F299-L311 PolarHBondContact O-N 3.43Å; F299-R313 HydrophobicContact CE2-CB 4.25Å; F299-R313 HydrophobicContact CE2-CG 4.34Å |
| 300 | I | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.6 | 173 | -71.1 | -171.3 | 0 | 0 | 0 | 107.4 | S274 V275 F276 L298 L308 L310 L385 Q388 M389 | S274-I300 CarbonylContact C-O 3.49Å; S274-I300 VanDerWaalsContact CA-O 3.23Å; S274-I300 WeakPolarHBondContact CA-O 3.48Å; S274-I300 PolarHBondContact OG-N 3.19Å; S274-I300 PolarHBondContact OG-O 3.3Å; V275-I300 PolarHBondContact N-O 3.45Å; F276-I300 HydrophobicContact CB-CB 4.05Å; F276-I300 HydrophobicContact CB-CD1 4.13Å; F276-I300 HydrophobicContact CB-CG1 4.34Å; F276-I300 HydrophobicContact CD1-CD1 3.93Å; F276-I300 HydrophobicContact CD1-CG1 4.43Å; F276-I300 HydrophobicContact CG-CD1 4.42Å; F276-I300 PolarHBondContact O-N 2.93Å; L298-I300 HydrophobicContact CD2-CD1 4.34Å; L298-I300 HydrophobicContact CD2-CG1 3.75Å; I300-L308 HydrophobicContact CB-CD1 4.3Å; I300-L308 HydrophobicContact CG1-CD2 4.44Å; I300-L308 HydrophobicContact CG2-CD1 3.24Å; I300-L308 HydrophobicContact CG2-CD2 4.17Å; I300-L308 HydrophobicContact CG2-CG 4.21Å; I300-L310 HydrophobicContact CG1-CD1 4.21Å; I300-L385 HydrophobicContact CD1-CD1 3.66Å; I300-L385 HydrophobicContact CG1-CD1 4.44Å; I300-Q388 HydrophobicContact CD1-CB 3.89Å; I300-M389 HydrophobicContact CD1-CG 3.72Å |
| 301 | K | 91.9 | Very high | 91.2 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.8 | 173.4 | -60.3 | -168.4 | -175.6 | -167 | 0 | 109.8 | E271 E272 L308 Q309 | E271-K301 VanDerWaalsContact CD-CE 3.48Å; E271-K301 VanDerWaalsContact CD-NZ 3.3Å; E271-K301 VanDerWaalsContact OE1-CE 3.29Å; E271-K301 WeakPolarHBondContact OE1-CE 3.45Å; E271-K301 IonicContact OE1-NZ 3.1Å; E271-K301 PolarHBondContact OE1-NZ 2.93Å; E272-K301 PolarHBondContact O-NZ 3.05Å; E272-K301 VanDerWaalsContact O-NZ 3.14Å; K301-L308 WeakPolarHBondContact O-CD1 3.49Å; K301-Q309 HydrophobicContact CB-CB 4.19Å; K301-Q309 PolarHBondContact N-O 3.49Å; K301-Q309 PolarHBondContact O-N 3.28Å |
| 302 | P | 89.9 | Confident | 91.3 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.5 | 174.9 | 30.6 | -35.1 | 0 | 0 | 0 | 110.2 | V275 | V275-P302 VanDerWaalsContact CG2-CD 3.49Å; V275-P302 HydrophobicContact CG2-CG 3.62Å |
| 303 | T | 86.3 | Confident | 91.3 | Very high | 53 Ų | 53 | 43.5 Ų | 43.5 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.2 | 173.4 | -56.4 | 0 | 0 | 0 | 0 | 108.8 | N305 K307 | T303-N305 PolarHBondContact O-N 2.87Å; T303-K307 VanDerWaalsContact CB-O 3.26Å; T303-K307 WeakPolarHBondContact CB-O 3.42Å; T303-K307 PolarHBondContact N-O 3.45Å |
| 304 | T | 80.4 | Confident | 91.3 | Very high | 142 Ų | 142 | 41.1 Ų | 41.1 | 87% | 0.871 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -5.3 | -174.9 | -38.3 | 0 | 0 | 0 | 0 | 115.4 | ||
| 305 | N | 76.9 | Confident | 91.2 | Very high | 111 Ų | 111 | 43.7 Ų | 43.7 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 36.2 | -168.3 | -67.6 | -67.8 | 0 | 0 | 0 | 113.9 | T303 K307 | T303-N305 PolarHBondContact O-N 2.87Å; N305-K307 HydrophobicContact CB-CD 4.25Å; N305-K307 WeakPolarHBondContact O-CG 3.46Å; N305-K307 PolarHBondContact O-N 3.47Å |
| 306 | D | 80.5 | Confident | 90.9 | Very high | 118 Ų | 118 | 44 Ų | 44 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 31.6 | -172.3 | -62.6 | -35.5 | 0 | 0 | 0 | 113.1 | ||
| 307 | K | 85.3 | Confident | 90.4 | Very high | 84 Ų | 84 | 52.2 Ų | 52.2 | 37% | 0.365 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.7 | -177.4 | -74.5 | 168.9 | -169 | 175.5 | 0 | 108 | T303 N305 T328 | T303-K307 VanDerWaalsContact CB-O 3.26Å; T303-K307 WeakPolarHBondContact CB-O 3.42Å; T303-K307 PolarHBondContact N-O 3.45Å; N305-K307 HydrophobicContact CB-CD 4.25Å; N305-K307 WeakPolarHBondContact O-CG 3.46Å; N305-K307 PolarHBondContact O-N 3.47Å; K307-T328 HydrophobicContact CD-CG2 4.43Å; K307-T328 HydrophobicContact CG-CG2 4.06Å |
| 308 | L | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128 | 171.1 | 177.9 | 78.7 | 0 | 0 | 0 | 108.8 | I300 K301 L326 V327 M389 H392 | I300-L308 HydrophobicContact CB-CD1 4.3Å; I300-L308 HydrophobicContact CG1-CD2 4.44Å; I300-L308 HydrophobicContact CG2-CD1 3.24Å; I300-L308 HydrophobicContact CG2-CD2 4.17Å; I300-L308 HydrophobicContact CG2-CG 4.21Å; K301-L308 WeakPolarHBondContact O-CD1 3.49Å; L308-L326 CarbonylContact O-C 3.55Å; L308-L326 WeakPolarHBondContact O-CA 3.33Å; L308-V327 HydrophobicContact CB-CB 4.28Å; L308-V327 PolarHBondContact N-O 3.34Å; L308-V327 PolarHBondContact O-N 3.1Å; L308-M389 HydrophobicContact CD2-CB 4.24Å; L308-M389 HydrophobicContact CD2-CE 4.39Å; L308-M389 HydrophobicContact CD2-CG 3.96Å; L308-H392 HydrophobicContact CD1-CB 3.6Å |
| 309 | Q | 93.2 | Very high | 89.6 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.8 | 164.9 | -175.7 | 179.7 | 5.5 | 0 | 0 | 109.4 | K301 N324 L326 | K301-Q309 HydrophobicContact CB-CB 4.19Å; K301-Q309 PolarHBondContact N-O 3.49Å; K301-Q309 PolarHBondContact O-N 3.28Å; Q309-N324 PolarHBondContact NE2-OD1 3.38Å; Q309-L326 HydrophobicContact CB-CD2 3.83Å; Q309-L326 HydrophobicContact CG-CD2 4.28Å |
| 310 | L | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.9 | 174 | -173.3 | 69.4 | 0 | 0 | 0 | 109 | L298 I300 I325 V327 L342 I374 M389 | L298-L310 HydrophobicContact CD1-CD1 3.86Å; L298-L310 HydrophobicContact CD2-CD1 3.61Å; L298-L310 HydrophobicContact CG-CD1 3.64Å; I300-L310 HydrophobicContact CG1-CD1 4.21Å; L310-I325 HydrophobicContact CB-CG1 3.97Å; L310-I325 HydrophobicContact CD2-CD1 4.27Å; L310-I325 HydrophobicContact CD2-CG1 4.41Å; L310-I325 PolarHBondContact N-O 3.43Å; L310-I325 PolarHBondContact O-N 3.11Å; L310-V327 HydrophobicContact CB-CG2 3.83Å; L310-V327 HydrophobicContact CD2-CG2 4.38Å; L310-L342 HydrophobicContact CD2-CD2 4.48Å; L310-I374 HydrophobicContact CD2-CD1 4.03Å; L310-M389 HydrophobicContact CD2-CE 4.13Å |
| 311 | L | 95.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.6 | -177.6 | 178.9 | 59.5 | 0 | 0 | 0 | 110.3 | E271 L298 F299 R313 I321 L323 N324 | E271-L311 WeakPolarHBondContact OE1-CD2 3.31Å; E271-L311 WeakPolarHBondContact OE2-CD2 3.25Å; L298-L311 CarbonylContact C-O 3.5Å; L298-L311 WeakPolarHBondContact CA-O 3.28Å; F299-L311 HydrophobicContact CB-CB 4.43Å; F299-L311 PolarHBondContact N-O 3.45Å; F299-L311 PolarHBondContact O-N 3.43Å; L311-R313 HydrophobicContact CG-CG 4.38Å; L311-I321 HydrophobicContact CD1-CG1 4.48Å; L311-I321 HydrophobicContact CD1-CG2 3.86Å; L311-L323 CarbonylContact C-O 3.56Å; L311-L323 WeakPolarHBondContact CA-O 3.48Å; L311-N324 HydrophobicContact CD1-CB 3.8Å |
| 312 | I | 96.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.7 | 177 | -54.1 | 178.5 | 0 | 0 | 0 | 107.9 | L282 N297 L298 L322 L323 I374 | L282-I312 HydrophobicContact CD1-CD1 4.01Å; L282-I312 HydrophobicContact CD2-CD1 4.19Å; N297-I312 WeakPolarHBondContact O-CA 3.22Å; L298-I312 HydrophobicContact CB-CG1 4.11Å; L298-I312 HydrophobicContact CD1-CD1 4.17Å; L298-I312 HydrophobicContact CD1-CG1 4.32Å; L298-I312 HydrophobicContact CG-CG1 4.12Å; I312-L322 HydrophobicContact CB-CB 4.35Å; I312-L322 HydrophobicContact CG2-CB 4.12Å; I312-L322 HydrophobicContact CG2-CD1 4.1Å; I312-L322 PolarHBondContact O-N 2.81Å; I312-L323 HydrophobicContact CB-CB 4.24Å; I312-L323 HydrophobicContact CD1-CB 4.18Å; I312-L323 HydrophobicContact CD1-CD2 4.09Å; I312-L323 HydrophobicContact CG1-CB 4.31Å; I312-L323 PolarHBondContact N-O 3.13Å; I312-L323 PolarHBondContact O-N 3.14Å; I312-I374 HydrophobicContact CD1-CD1 4.4Å |
| 313 | R | 94.4 | Very high | 89.8 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 21% | 0.208 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 141.4 | 173.7 | -61.9 | -171.4 | -172.6 | -139 | 0.9 | 110.4 | F269 E271 G296 N297 F299 L311 | F269-R313 VanDerWaalsContact CE1-NH1 3.25Å; F269-R313 VanDerWaalsContact CZ-CZ 3.48Å; E271-R313 IonicContact OE1-CZ 3.17Å; E271-R313 IonicContact OE1-NE 3.45Å; E271-R313 IonicContact OE1-NH2 2.67Å; E271-R313 PolarHBondContact OE1-NH2 3.46Å; E271-R313 IonicContact OE2-CZ 2.64Å; E271-R313 IonicContact OE2-NE 2.74Å; E271-R313 PolarHBondContact OE2-NE 2.91Å; E271-R313 IonicContact OE2-NH2 2.79Å; E271-R313 PolarHBondContact OE2-NH2 3.4Å; G296-R313 CarbonylContact C-O 3.59Å; G296-R313 WeakPolarHBondContact CA-O 3.43Å; N297-R313 PolarHBondContact N-O 2.94Å; N297-R313 PolarHBondContact O-N 3Å; N297-R313 VanDerWaalsContact O-N 3.07Å; F299-R313 HydrophobicContact CE2-CB 4.25Å; F299-R313 HydrophobicContact CE2-CG 4.34Å; L311-R313 HydrophobicContact CG-CG 4.38Å |
| 314 | A | 94.9 | Very high | 90.3 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 143.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | T316 N320 L322 | A314-T316 HydrophobicContact CB-CG2 4.5Å; A314-T316 PolarHBondContact O-N 2.91Å; A314-N320 HydrophobicContact CB-CB 4.31Å; A314-N320 WeakPolarHBondContact CB-O 3.4Å; A314-N320 PolarHBondContact N-O 2.92Å; A314-L322 HydrophobicContact CB-CD1 4.39Å; A314-L322 HydrophobicContact CB-CD2 4.44Å; A314-L322 HydrophobicContact CB-CG 4.3Å |
| 315 | D | 90.9 | Very high | 90.9 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -81.4 | 54.4 | 178 | -166.4 | 27.8 | 0 | 0 | 0 | 110.9 | R279 L295 | R279-D315 IonicContact CZ-OD2 2.86Å; R279-D315 IonicContact NE-OD2 3.74Å; R279-D315 PolarHBondContact NE-OD2 3.01Å; R279-D315 IonicContact NH2-OD2 2.79Å; R279-D315 PolarHBondContact NH2-OD2 3.45Å; L295-D315 HydrophobicContact CD2-CB 4.14Å; L295-D315 PolarHBondContact O-N 3.29Å |
| 316 | T | 89.8 | Confident | 91.7 | Very high | 79 Ų | 79 | 54 Ų | 54 | 49% | 0.485 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -129.2 | 158.9 | 178.8 | 65.1 | 0 | 0 | 0 | 0 | 109.3 | A314 L318 G319 | A314-T316 HydrophobicContact CB-CG2 4.5Å; A314-T316 PolarHBondContact O-N 2.91Å; T316-L318 PolarHBondContact O-N 3.24Å; T316-L318 VanDerWaalsContact O-N 3.11Å; T316-G319 PolarHBondContact O-N 3.2Å; T316-G319 PolarHBondContact OG1-N 3.02Å |
| 317 | N | 85.8 | Confident | 92.2 | Very high | 174 Ų | 174 | 48.3 Ų | 48.3 | 93% | 0.93 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -28.5 | 174.8 | 59.2 | -18.8 | 0 | 0 | 0 | 113.6 | ||
| 318 | L | 86.4 | Confident | 92.4 | Very high | 125 Ų | 125 | 46.8 Ų | 46.8 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -28.1 | 177.2 | -168.4 | 62.1 | 0 | 0 | 0 | 113 | T316 N320 | T316-L318 PolarHBondContact O-N 3.24Å; T316-L318 VanDerWaalsContact O-N 3.11Å; L318-N320 WeakPolarHBondContact CD2-OD1 3.38Å; L318-N320 WeakPolarHBondContact CG-OD1 3.36Å; L318-N320 PolarHBondContact O-N 3.38Å |
| 319 | G | 87.9 | Confident | 92.1 | Very high | 11 Ų | 11 | 53 Ų | 53 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | trans | 64.9 | 32.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T316 I321 | T316-G319 PolarHBondContact O-N 3.2Å; T316-G319 PolarHBondContact OG1-N 3.02Å; G319-I321 PolarHBondContact O-N 3.04Å | ||
| 320 | N | 92.8 | Very high | 91.8 | Very high | 91 Ų | 91 | 59 Ų | 59 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | trans | -51.1 | 133.3 | -178.9 | -79.5 | -10.2 | 0 | 0 | 0 | 112.1 | A314 L318 L322 | A314-N320 HydrophobicContact CB-CB 4.31Å; A314-N320 WeakPolarHBondContact CB-O 3.4Å; A314-N320 PolarHBondContact N-O 2.92Å; L318-N320 WeakPolarHBondContact CD2-OD1 3.38Å; L318-N320 WeakPolarHBondContact CG-OD1 3.36Å; L318-N320 PolarHBondContact O-N 3.38Å; N320-L322 PolarHBondContact O-N 3.39Å | ||
| 321 | I | 94.3 | Very high | 91.5 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 36% | 0.359 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 119.1 | 179 | -60.1 | 173.5 | 0 | 0 | 0 | 109.2 | L311 G319 N324 | L311-I321 HydrophobicContact CD1-CG1 4.48Å; L311-I321 HydrophobicContact CD1-CG2 3.86Å; G319-I321 PolarHBondContact O-N 3.04Å; I321-N324 HydrophobicContact CG2-CB 3.93Å |
| 322 | L | 94.2 | Very high | 91.2 | Very high | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -36.8 | 176.4 | -62.6 | -179.9 | 0 | 0 | 0 | 111.9 | L282 R293 I312 A314 N320 | L282-L322 HydrophobicContact CD2-CB 4.15Å; R293-L322 HydrophobicContact CG-CD2 4.48Å; I312-L322 HydrophobicContact CB-CB 4.35Å; I312-L322 HydrophobicContact CG2-CB 4.12Å; I312-L322 HydrophobicContact CG2-CD1 4.1Å; I312-L322 PolarHBondContact O-N 2.81Å; A314-L322 HydrophobicContact CB-CD1 4.39Å; A314-L322 HydrophobicContact CB-CD2 4.44Å; A314-L322 HydrophobicContact CB-CG 4.3Å; N320-L322 PolarHBondContact O-N 3.39Å |
| 323 | L | 95.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 132.6 | 178.9 | -174.5 | 65.3 | 0 | 0 | 0 | 110.4 | L282 L311 I312 I325 S347 M372 | L282-L323 HydrophobicContact CD1-CD2 4.33Å; L282-L323 HydrophobicContact CD2-CB 3.8Å; L282-L323 HydrophobicContact CD2-CD2 4.32Å; L311-L323 CarbonylContact C-O 3.56Å; L311-L323 WeakPolarHBondContact CA-O 3.48Å; I312-L323 HydrophobicContact CB-CB 4.24Å; I312-L323 HydrophobicContact CD1-CB 4.18Å; I312-L323 HydrophobicContact CD1-CD2 4.09Å; I312-L323 HydrophobicContact CG1-CB 4.31Å; I312-L323 PolarHBondContact N-O 3.13Å; I312-L323 PolarHBondContact O-N 3.14Å; L323-I325 HydrophobicContact CD1-CG2 3.63Å; L323-I325 HydrophobicContact CD2-CD1 4.11Å; L323-I325 HydrophobicContact CD2-CG1 4.38Å; L323-I325 HydrophobicContact CG-CD1 4.49Å; L323-I325 HydrophobicContact CG-CG1 4.33Å; L323-I325 HydrophobicContact CG-CG2 4.05Å; L323-S347 CarbonylContact C-O 3.59Å; L323-S347 WeakPolarHBondContact CA-O 3.36Å; L323-M372 HydrophobicContact CD1-CE 4.33Å; L323-M372 HydrophobicContact CD2-CE 4.47Å |
| 324 | N | 95.2 | Very high | 91 | Very high | 56 Ų | 56 | 70 Ų | 70 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 101.4 | 173.4 | 179.4 | 17.5 | 0 | 0 | 0 | 109.4 | Q309 L311 I321 S347 | Q309-N324 PolarHBondContact NE2-OD1 3.38Å; L311-N324 HydrophobicContact CD1-CB 3.8Å; I321-N324 HydrophobicContact CG2-CB 3.93Å; N324-S347 PolarHBondContact N-O 2.95Å; N324-S347 WeakPolarHBondContact O-CB 3.38Å |
| 325 | I | 94.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 72.3 Ų | 72.3 | 8% | 0.077 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.3 | -175.7 | 62.9 | 172.7 | 0 | 0 | 0 | 111.8 | L310 L323 V327 M331 L342 C344 V345 | L310-I325 HydrophobicContact CB-CG1 3.97Å; L310-I325 HydrophobicContact CD2-CD1 4.27Å; L310-I325 HydrophobicContact CD2-CG1 4.41Å; L310-I325 PolarHBondContact N-O 3.43Å; L310-I325 PolarHBondContact O-N 3.11Å; L323-I325 HydrophobicContact CD1-CG2 3.63Å; L323-I325 HydrophobicContact CD2-CD1 4.11Å; L323-I325 HydrophobicContact CD2-CG1 4.38Å; L323-I325 HydrophobicContact CG-CD1 4.49Å; L323-I325 HydrophobicContact CG-CG1 4.33Å; L323-I325 HydrophobicContact CG-CG2 4.05Å; I325-V327 HydrophobicContact CD1-CG2 4.07Å; I325-V327 HydrophobicContact CG1-CG2 4.15Å; I325-M331 HydrophobicContact CD1-CE 4.09Å; I325-L342 HydrophobicContact CD1-CD1 3.96Å; I325-C344 HydrophobicContact CD1-CB 3.79Å; I325-C344 HydrophobicContact CG2-CB 4.4Å; I325-V345 WeakPolarHBondContact CG2-O 3.42Å |
| 326 | L | 92.9 | Very high | 91 | Very high | 98 Ų | 98 | 75.3 Ų | 75.3 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.2 | 165.4 | -68.2 | 171.1 | 0 | 0 | 0 | 108.9 | L308 Q309 | L308-L326 CarbonylContact O-C 3.55Å; L308-L326 WeakPolarHBondContact O-CA 3.33Å; Q309-L326 HydrophobicContact CB-CD2 3.83Å; Q309-L326 HydrophobicContact CG-CD2 4.28Å |
| 327 | V | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.6 | 177.3 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | L308 L310 I325 M331 I333 M389 | L308-V327 HydrophobicContact CB-CB 4.28Å; L308-V327 PolarHBondContact N-O 3.34Å; L308-V327 PolarHBondContact O-N 3.1Å; L310-V327 HydrophobicContact CB-CG2 3.83Å; L310-V327 HydrophobicContact CD2-CG2 4.38Å; I325-V327 HydrophobicContact CD1-CG2 4.07Å; I325-V327 HydrophobicContact CG1-CG2 4.15Å; V327-M331 HydrophobicContact CG1-SD 4.42Å; V327-I333 HydrophobicContact CG1-CD1 4.18Å; V327-M389 HydrophobicContact CG1-CE 4.45Å; V327-M389 HydrophobicContact CG2-CE 4.35Å |
| 328 | T | 88.6 | Confident | 91.7 | Very high | 52 Ų | 52 | 71.7 Ų | 71.7 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 158.9 | 177.2 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | K307 E330 M331 R393 | K307-T328 HydrophobicContact CD-CG2 4.43Å; K307-T328 HydrophobicContact CG-CG2 4.06Å; T328-E330 PolarHBondContact O-N 3.36Å; T328-M331 PolarHBondContact O-N 2.76Å; T328-R393 VanDerWaalsContact C-NE 3.34Å; T328-R393 PolarHBondContact O-NE 2.91Å; T328-R393 PolarHBondContact O-NH2 3.47Å |
| 329 | K | 86.5 | Confident | 92.2 | Very high | 129 Ų | 129 | 67.1 Ų | 67.1 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -17 | 177.9 | -176 | 169.4 | 178.9 | 167.9 | 0 | 117.1 | R393 G394 V395 | K329-R393 VanDerWaalsContact C-CZ 3.42Å; K329-R393 VanDerWaalsContact CA-CZ 3.46Å; K329-R393 VanDerWaalsContact CA-NH2 3.32Å; K329-R393 VanDerWaalsContact O-CZ 3.29Å; K329-R393 PolarHBondContact O-NH1 2.87Å; K329-R393 PolarHBondContact O-NH2 3.21Å; K329-G394 PolarHBondContact NZ-O 3.29Å; K329-G394 VanDerWaalsContact NZ-O 3.07Å; K329-V395 HydrophobicContact CG-CG2 4.08Å |
| 330 | E | 86 | Confident | 92.5 | Very high | 180 Ų | 180 | 66.6 Ų | 66.6 | 84% | 0.841 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -28.7 | -179.9 | -63 | 178.4 | -171.3 | 0 | 0 | 113.9 | T328 P332 R393 | T328-E330 PolarHBondContact O-N 3.36Å; E330-P332 VanDerWaalsContact O-CD 3.24Å; E330-P332 WeakPolarHBondContact O-CD 3.49Å; E330-R393 VanDerWaalsContact C-NH2 3.29Å |
| 331 | M | 87.8 | Confident | 92.7 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -66.2 | 106 | -179.6 | -174.1 | 167.2 | 156.1 | 0 | 0 | 115.9 | I325 V327 T328 I333 L342 V343 C344 R393 | I325-M331 HydrophobicContact CD1-CE 4.09Å; V327-M331 HydrophobicContact CG1-SD 4.42Å; T328-M331 PolarHBondContact O-N 2.76Å; M331-I333 PolarHBondContact O-N 3.37Å; M331-L342 HydrophobicContact CE-CB 3.68Å; M331-L342 HydrophobicContact CE-CD1 3.18Å; M331-L342 HydrophobicContact CE-CG 3.94Å; M331-V343 VanDerWaalsContact CE-O 3.32Å; M331-V343 WeakPolarHBondContact CE-O 3.36Å; M331-C344 HydrophobicContact CE-CB 3.64Å; M331-C344 HydrophobicContact SD-CB 4.36Å; M331-R393 VanDerWaalsContact CA-NH2 3.35Å; M331-R393 PolarHBondContact O-NH2 2.91Å |
| 332 | P | 89.7 | Confident | 92.7 | Very high | 84 Ų | 84 | 60.6 Ų | 60.6 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | trans | -68.6 | 130.3 | -175.5 | 29.1 | -34.7 | 0 | 0 | 0 | 111.9 | E330 | E330-P332 VanDerWaalsContact O-CD 3.24Å; E330-P332 WeakPolarHBondContact O-CD 3.49Å | ||
| 333 | I | 92.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.7 | 172.2 | -56.8 | 161.5 | 0 | 0 | 0 | 107.3 | V327 M331 L340 L342 L386 M389 | V327-I333 HydrophobicContact CG1-CD1 4.18Å; M331-I333 PolarHBondContact O-N 3.37Å; I333-L340 HydrophobicContact CG2-CB 4.36Å; I333-L342 HydrophobicContact CG1-CB 4.34Å; I333-L386 HydrophobicContact CB-CD1 4.09Å; I333-L386 HydrophobicContact CG2-CD1 3.68Å; I333-M389 HydrophobicContact CD1-CB 4.43Å; I333-M389 HydrophobicContact CD1-CE 3.41Å; I333-M389 VanDerWaalsContact CD1-CE 3.41Å; I333-M389 HydrophobicContact CD1-SD 4.2Å; I333-M389 HydrophobicContact CG1-CE 4.42Å |
| 334 | K | 93.1 | Very high | 92.6 | Very high | 153 Ų | 153 | 63.7 Ų | 63.7 | 67% | 0.665 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.9 | 179.1 | -64.7 | -176.2 | -179.6 | -178.2 | 0 | 110 | L340 T341 | K334-L340 CarbonylContact O-C 3.55Å; K334-L340 WeakPolarHBondContact O-CA 3.43Å; K334-T341 PolarHBondContact N-O 2.95Å; K334-T341 PolarHBondContact O-N 2.88Å |
| 335 | Q | 93.2 | Very high | 92.5 | Very high | 65 Ų | 65 | 64 Ų | 64 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.2 | 171.9 | -178.5 | 175.5 | -10 | 0 | 0 | 111.2 | K337 L340 T383 L386 | Q335-K337 PolarHBondContact NE2-O 3.27Å; Q335-L340 HydrophobicContact CB-CD2 3.6Å; Q335-L340 HydrophobicContact CG-CD2 3.79Å; Q335-T383 PolarHBondContact NE2-OG1 2.92Å; Q335-L386 HydrophobicContact CB-CD2 4.06Å |
| 336 | Q | 93.1 | Very high | 92.4 | Very high | 133 Ų | 133 | 64 Ų | 64 | 62% | 0.621 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 101.2 | 171.9 | -175.7 | 179.7 | -12.9 | 0 | 0 | 109.2 | N338 N339 | Q336-N338 PolarHBondContact O-N 2.76Å; Q336-N339 PolarHBondContact N-O 3.39Å; Q336-N339 WeakPolarHBondContact O-CB 3.35Å; Q336-N339 PolarHBondContact O-N 2.96Å; Q336-N339 PolarHBondContact O-ND2 3.39Å |
| 337 | K | 94.3 | Very high | 92.4 | Very high | 144 Ų | 144 | 62 Ų | 62 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | -120 | -172.9 | -55.2 | 179.6 | 178 | -177.8 | 0 | 110.4 | Q335 N339 | Q335-K337 PolarHBondContact NE2-O 3.27Å; K337-N339 VanDerWaalsContact C-N 3.32Å; K337-N339 PolarHBondContact O-N 3.03Å |
| 338 | N | 95.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 64.3 Ų | 64.3 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 13.2 | 177.2 | 70.4 | -47.1 | 0 | 0 | 0 | 114.2 | Q336 R375 V376 | Q336-N338 PolarHBondContact O-N 2.76Å; N338-R375 PolarHBondContact ND2-NE 3.24Å; N338-V376 HydrophobicContact CB-CG2 4.48Å; N338-V376 PolarHBondContact ND2-O 2.87Å; N338-V376 VanDerWaalsContact O-CG2 3.29Å; N338-V376 WeakPolarHBondContact O-CG2 3.24Å; N338-V376 PolarHBondContact O-N 3.04Å |
| 339 | N | 96.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 66.5 Ų | 66.5 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.6 | -177.9 | -48 | -73.6 | 0 | 0 | 0 | 110.8 | Q336 K337 L373 I374 R375 | Q336-N339 PolarHBondContact N-O 3.39Å; Q336-N339 WeakPolarHBondContact O-CB 3.35Å; Q336-N339 PolarHBondContact O-N 2.96Å; Q336-N339 PolarHBondContact O-ND2 3.39Å; K337-N339 VanDerWaalsContact C-N 3.32Å; K337-N339 PolarHBondContact O-N 3.03Å; N339-L373 HydrophobicContact CB-CD1 4.08Å; N339-L373 HydrophobicContact CB-CD2 4.07Å; N339-L373 HydrophobicContact CB-CG 4.05Å; N339-I374 CarbonylContact C-O 3.4Å; N339-I374 WeakPolarHBondContact CA-O 3.5Å; N339-R375 WeakPolarHBondContact OD1-CB 3.4Å; N339-R375 VanDerWaalsContact OD1-CG 3.3Å; N339-R375 WeakPolarHBondContact OD1-CG 3.47Å |
| 340 | L | 96.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128 | 169 | -61.2 | -179.2 | 0 | 0 | 0 | 109 | I333 K334 Q335 L373 I374 L385 L386 M389 | I333-L340 HydrophobicContact CG2-CB 4.36Å; K334-L340 CarbonylContact O-C 3.55Å; K334-L340 WeakPolarHBondContact O-CA 3.43Å; Q335-L340 HydrophobicContact CB-CD2 3.6Å; Q335-L340 HydrophobicContact CG-CD2 3.79Å; L340-L373 CarbonylContact O-C 3.44Å; L340-L373 WeakPolarHBondContact O-CA 3.41Å; L340-I374 HydrophobicContact CB-CB 4.39Å; L340-I374 PolarHBondContact N-O 2.76Å; L340-I374 PolarHBondContact O-N 3.47Å; L340-L385 HydrophobicContact CD1-CB 4.15Å; L340-L385 HydrophobicContact CD1-CD2 3.47Å; L340-L385 VanDerWaalsContact CD1-CD2 3.47Å; L340-L385 HydrophobicContact CD1-CG 3.62Å; L340-L386 HydrophobicContact CD2-CB 4.23Å; L340-M389 HydrophobicContact CD1-SD 4.41Å |
| 341 | T | 95.8 | Very high | 91.8 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.8 | 178.4 | -53.3 | 0 | 0 | 0 | 0 | 109.9 | W290 K334 M372 | W290-T341 HydrophobicContact CH2-CG2 4.19Å; K334-T341 PolarHBondContact N-O 2.95Å; K334-T341 PolarHBondContact O-N 2.88Å; T341-M372 WeakPolarHBondContact CA-O 3.46Å |
| 342 | L | 94.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155 | -179.7 | 62 | 98.2 | 0 | 0 | 0 | 110 | L310 I325 M331 I333 C344 M372 I374 | L310-L342 HydrophobicContact CD2-CD2 4.48Å; I325-L342 HydrophobicContact CD1-CD1 3.96Å; M331-L342 HydrophobicContact CE-CB 3.68Å; M331-L342 HydrophobicContact CE-CD1 3.18Å; M331-L342 HydrophobicContact CE-CG 3.94Å; I333-L342 HydrophobicContact CG1-CB 4.34Å; L342-C344 HydrophobicContact CD1-CB 3.91Å; L342-C344 VanDerWaalsContact CD1-SG 3.51Å; L342-M372 HydrophobicContact CD1-CB 4.12Å; L342-M372 HydrophobicContact CG-CB 4.36Å; L342-M372 PolarHBondContact N-O 3.25Å; L342-M372 PolarHBondContact O-N 2.94Å; L342-M372 VanDerWaalsContact O-O 3.13Å; L342-I374 HydrophobicContact CD2-CD1 3.6Å; L342-I374 HydrophobicContact CD2-CG1 4.36Å |
| 343 | V | 94.4 | Very high | 89.3 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 42% | 0.418 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.4 | 179.3 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | M331 P369 P371 | M331-V343 VanDerWaalsContact CE-O 3.32Å; M331-V343 WeakPolarHBondContact CE-O 3.36Å; V343-P369 HydrophobicContact CG1-CB 3.87Å; V343-P371 HydrophobicContact CG2-CB 4.48Å |
| 344 | C | 93.1 | Very high | 87.5 | Confident | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 165 | -178.4 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | I325 M331 L342 V370 M372 | I325-C344 HydrophobicContact CD1-CB 3.79Å; I325-C344 HydrophobicContact CG2-CB 4.4Å; M331-C344 HydrophobicContact CE-CB 3.64Å; M331-C344 HydrophobicContact SD-CB 4.36Å; L342-C344 HydrophobicContact CD1-CB 3.91Å; L342-C344 VanDerWaalsContact CD1-SG 3.51Å; C344-V370 PolarHBondContact N-O 3.07Å; C344-V370 VanDerWaalsContact N-O 3.16Å; C344-V370 PolarHBondContact O-N 3.45Å; C344-M372 VanDerWaalsContact SG-CG 3.55Å |
| 345 | V | 93.3 | Very high | 85.5 | Confident | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | trans | -77.6 | 121.2 | 166.4 | 169.4 | 0 | 0 | 0 | 0 | 108.6 | I325 S347 P367 | I325-V345 WeakPolarHBondContact CG2-O 3.42Å; V345-S347 PolarHBondContact O-N 2.73Å; V345-P367 HydrophobicContact CB-CB 4.38Å; V345-P367 HydrophobicContact CG1-CB 3.49Å; V345-P367 VanDerWaalsContact CG1-CB 3.49Å; V345-P367 HydrophobicContact CG1-CG 4.2Å; V345-P367 HydrophobicContact CG2-CB 3.96Å; V345-P367 HydrophobicContact CG2-CG 4.19Å; V345-P367 WeakPolarHBondContact CG2-O 3.44Å | ||
| 346 | P | 92.1 | Very high | 83.4 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | trans | -72.6 | 122 | 179 | 29.1 | -33.3 | 0 | 0 | 0 | 110.8 | P348 L350 V370 | P346-P348 CarbonylContact C-O 3.59Å; P346-P348 CarbonylContact O-C 3.39Å; P346-L350 HydrophobicContact CB-CD1 4.1Å; P346-L350 HydrophobicContact CB-CD2 4.29Å; P346-L350 HydrophobicContact CB-CG 3.77Å; P346-L350 HydrophobicContact CG-CD1 3.82Å; P346-L350 HydrophobicContact CG-CG 3.75Å; P346-V370 HydrophobicContact CG-CG2 4.31Å | ||
| 347 | S | 92.2 | Very high | 81.2 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 40% | 0.399 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -124.1 | 114.4 | 169.9 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | L323 N324 V345 | L323-S347 CarbonylContact C-O 3.59Å; L323-S347 WeakPolarHBondContact CA-O 3.36Å; N324-S347 PolarHBondContact N-O 2.95Å; N324-S347 WeakPolarHBondContact O-CB 3.38Å; V345-S347 PolarHBondContact O-N 2.73Å |
| 348 | P | 90.5 | Very high | 79 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 31% | 0.312 | 33% | 0.33 | S | S | . | . | S | Bend | cis | -70.8 | 158.8 | 2 | 27.6 | -33.1 | 0 | 0 | 0 | 114.1 | P346 | P346-P348 CarbonylContact C-O 3.59Å; P346-P348 CarbonylContact O-C 3.39Å |
| 349 | P | 88.5 | Confident | 76.5 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 148.4 | -179.1 | -25.2 | 34.2 | 0 | 0 | 0 | 113.9 | ||
| 350 | L | 85.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 144.3 | 179.1 | -62.4 | 169.6 | 0 | 0 | 0 | 111.2 | Y284 P346 S352 H353 V370 | Y284-L350 HydrophobicContact CD1-CD2 4.18Å; Y284-L350 HydrophobicContact CD2-CD1 3.53Å; Y284-L350 HydrophobicContact CD2-CD2 4.09Å; Y284-L350 HydrophobicContact CD2-CG 4.32Å; Y284-L350 HydrophobicContact CE1-CD2 4.41Å; Y284-L350 HydrophobicContact CE2-CD1 4.16Å; Y284-L350 HydrophobicContact CE2-CD2 4.3Å; Y284-L350 HydrophobicContact CG-CD1 3.93Å; Y284-L350 HydrophobicContact CG-CD2 4.02Å; P346-L350 HydrophobicContact CB-CD1 4.1Å; P346-L350 HydrophobicContact CB-CD2 4.29Å; P346-L350 HydrophobicContact CB-CG 3.77Å; P346-L350 HydrophobicContact CG-CD1 3.82Å; P346-L350 HydrophobicContact CG-CG 3.75Å; L350-S352 PolarHBondContact O-N 3.36Å; L350-S352 VanDerWaalsContact O-N 3.15Å; L350-H353 PolarHBondContact O-N 2.96Å; L350-H353 VanDerWaalsContact O-N 3.15Å; L350-V370 HydrophobicContact CD1-CB 4.36Å; L350-V370 HydrophobicContact CD1-CG1 4.04Å; L350-V370 HydrophobicContact CD1-CG2 4.17Å |
| 351 | P | 76.3 | Confident | 71.4 | Confident | 80 Ų | 80 | 74 Ų | 74 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.9 | -22.7 | -177.7 | 25.9 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 352 | S | 66.1 | Low | 69.2 | Low | 35 Ų | 35 | 80.9 Ų | 80.9 | 25% | 0.245 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -71.9 | -30.7 | 177.6 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | L350 | L350-S352 PolarHBondContact O-N 3.36Å; L350-S352 VanDerWaalsContact O-N 3.15Å |
| 353 | H | 58.1 | Low | 67.3 | Low | 56 Ų | 56 | 85.8 Ų | 85.8 | 26% | 0.259 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -77.4 | -23.1 | -178.2 | -83.1 | -92.5 | 0 | 0 | 0 | 113.3 | L350 K355 S356 V370 | L350-H353 PolarHBondContact O-N 2.96Å; L350-H353 VanDerWaalsContact O-N 3.15Å; H353-K355 VanDerWaalsContact C-N 3.29Å; H353-K355 PolarHBondContact O-N 3.32Å; H353-S356 PolarHBondContact O-OG 2.96Å; H353-V370 WeakPolarHBondContact NE2-CG2 3.44Å |
| 354 | V | 56.3 | Low | 65.2 | Low | 95 Ų | 95 | 89.3 Ų | 89.3 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.6 | -28.1 | 178.3 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 355 | K | 49.9 | Very low | 63.7 | Low | 174 Ų | 174 | 92.7 Ų | 92.7 | 76% | 0.757 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -87.4 | -23.1 | 179 | -64.9 | -172.5 | 179.9 | -176.1 | 0 | 113.6 | H353 | H353-K355 VanDerWaalsContact C-N 3.29Å; H353-K355 PolarHBondContact O-N 3.32Å |
| 356 | S | 49.5 | Very low | 62.3 | Low | 58 Ų | 58 | 96.5 Ų | 96.5 | 41% | 0.406 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -81.2 | -17.9 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | H353 V358 | H353-S356 PolarHBondContact O-OG 2.96Å; S356-V358 PolarHBondContact O-N 3.41Å |
| 357 | S | 46.3 | Very low | 61.6 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -2.6 | 178.7 | 96.3 | 0 | 0 | 0 | 0 | 114 | ||
| 358 | V | 49.1 | Very low | 61.2 | Low | 111 Ų | 111 | 103.4 Ų | 103.4 | 67% | 0.673 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -17.4 | 178.9 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | S356 | S356-V358 PolarHBondContact O-N 3.41Š|
| 359 | N | 42.7 | Very low | 61.3 | Low | 131 Ų | 131 | 104.8 Ų | 104.8 | 70% | 0.701 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -126.6 | 6.5 | -170.2 | -68.6 | -32.2 | 0 | 0 | 0 | 115.8 | ||
| 360 | N | 42.1 | Very low | 61.5 | Low | 122 Ų | 122 | 100.3 Ų | 100.3 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | trans | -136.7 | 101.5 | 172.6 | -69.2 | -60.9 | 0 | 0 | 0 | 109.5 | E362 | N360-E362 PolarHBondContact O-N 3.45Š| ||
| 361 | E | 44.5 | Very low | 61.9 | Low | 204 Ų | 204 | 102.4 Ų | 102.4 | 95% | 0.953 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 24.4 | -177.5 | -66.7 | -175.2 | 144.4 | 0 | 0 | 114.4 | ||
| 362 | E | 48.9 | Very low | 62.8 | Low | 178 Ų | 178 | 98.7 Ų | 98.7 | 83% | 0.832 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | -0.5 | -174.8 | -67.2 | -172.5 | 176.4 | 0 | 0 | 115 | N360 | N360-E362 PolarHBondContact O-N 3.45Š|
| 363 | D | 54 | Low | 64.3 | Low | 105 Ų | 105 | 98.1 Ų | 98.1 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | trans | -93.7 | 106.2 | 176.6 | -156 | 8.9 | 0 | 0 | 0 | 109.7 | G365 | D363-G365 PolarHBondContact O-N 3.29Š| ||
| 364 | N | 51.5 | Low | 66.1 | Low | 142 Ų | 142 | 95.5 Ų | 95.5 | 76% | 0.759 | 53% | 0.529 | S | S | * | . | trans | -64.7 | 49.4 | -174.8 | -77.6 | -62.6 | 0 | 0 | 0 | 113.9 | Q366 | N364-Q366 WeakPolarHBondContact O-CG 3.34Å; N364-Q366 PolarHBondContact O-N 2.96Å | ||
| 365 | G | 60.2 | Low | 68.1 | Low | 81 Ų | 81 | 97.1 Ų | 97.1 | 84% | 0.835 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 54.5 | 11.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D363 | D363-G365 PolarHBondContact O-N 3.29Š|
| 366 | Q | 64.6 | Low | 70.3 | Confident | 141 Ų | 141 | 89.1 Ų | 89.1 | 66% | 0.659 | 49% | 0.491 | S | S | * | . | trans | -84 | 132 | -175.6 | -75.3 | -171.2 | -13.9 | 0 | 0 | 108.3 | N364 K368 | N364-Q366 WeakPolarHBondContact O-CG 3.34Å; N364-Q366 PolarHBondContact O-N 2.96Å; Q366-K368 PolarHBondContact O-N 3.49Å | ||
| 367 | P | 77.1 | Confident | 72.5 | Confident | 91 Ų | 91 | 96 Ų | 96 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | trans | -66.4 | 111.9 | -179 | 25.5 | -32.6 | 0 | 0 | 0 | 110.3 | V345 | V345-P367 HydrophobicContact CB-CB 4.38Å; V345-P367 HydrophobicContact CG1-CB 3.49Å; V345-P367 VanDerWaalsContact CG1-CB 3.49Å; V345-P367 HydrophobicContact CG1-CG 4.2Å; V345-P367 HydrophobicContact CG2-CB 3.96Å; V345-P367 HydrophobicContact CG2-CG 4.19Å; V345-P367 WeakPolarHBondContact CG2-O 3.44Å | ||
| 368 | K | 84.9 | Confident | 74.9 | Confident | 126 Ų | 126 | 95.2 Ų | 95.2 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | trans | -67.5 | 127.3 | -179.2 | -176.6 | 163.4 | 174 | -179.7 | 0 | 111.2 | Q366 | Q366-K368 PolarHBondContact O-N 3.49Š| ||
| 369 | P | 91 | Very high | 77.1 | Confident | 76 Ų | 76 | 95.4 Ų | 95.4 | 49% | 0.494 | 50% | 0.498 | S | S | . | . | trans | -70.4 | 136.1 | 174.9 | 27.6 | -33.3 | 0 | 0 | 0 | 111 | V343 | V343-P369 HydrophobicContact CG1-CB 3.87Š| ||
| 370 | V | 92.8 | Very high | 79.6 | Confident | 5 Ų | 5 | 96.7 Ų | 96.7 | 3% | 0.03 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.9 | -177.9 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | C344 P346 L350 H353 M372 | C344-V370 PolarHBondContact N-O 3.07Å; C344-V370 VanDerWaalsContact N-O 3.16Å; C344-V370 PolarHBondContact O-N 3.45Å; P346-V370 HydrophobicContact CG-CG2 4.31Å; L350-V370 HydrophobicContact CD1-CB 4.36Å; L350-V370 HydrophobicContact CD1-CG1 4.04Å; L350-V370 HydrophobicContact CD1-CG2 4.17Å; H353-V370 WeakPolarHBondContact NE2-CG2 3.44Å; V370-M372 HydrophobicContact CG1-SD 4.45Å; V370-M372 PolarHBondContact O-N 3.37Å |
| 371 | P | 94.6 | Very high | 82.1 | Confident | 46 Ų | 46 | 91.6 Ų | 91.6 | 30% | 0.299 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 122.5 | 169.8 | -19.4 | 32.3 | 0 | 0 | 0 | 111 | K285 W290 V343 | K285-P371 HydrophobicContact CB-CB 4.07Å; K285-P371 HydrophobicContact CB-CG 4.33Å; K285-P371 PolarHBondContact N-O 3.31Å; W290-P371 HydrophobicContact CH2-CB 4.31Å; V343-P371 HydrophobicContact CG2-CB 4.48Å |
| 372 | M | 95.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.8 | 177.9 | -59.1 | -67.5 | -77 | 0 | 0 | 109.9 | L282 F283 Y284 L323 T341 L342 C344 V370 | L282-M372 HydrophobicContact CD1-CE 3.82Å; L282-M372 HydrophobicContact CD2-CE 3.62Å; L282-M372 HydrophobicContact CG-CE 3.73Å; F283-M372 CarbonylContact O-C 3.59Å; F283-M372 WeakPolarHBondContact O-CA 3.44Å; Y284-M372 WeakPolarHBondContact CB-SD 3.48Å; L323-M372 HydrophobicContact CD1-CE 4.33Å; L323-M372 HydrophobicContact CD2-CE 4.47Å; T341-M372 WeakPolarHBondContact CA-O 3.46Å; L342-M372 HydrophobicContact CD1-CB 4.12Å; L342-M372 HydrophobicContact CG-CB 4.36Å; L342-M372 PolarHBondContact N-O 3.25Å; L342-M372 PolarHBondContact O-N 2.94Å; L342-M372 VanDerWaalsContact O-O 3.13Å; C344-M372 VanDerWaalsContact SG-CG 3.55Å; V370-M372 HydrophobicContact CG1-SD 4.45Å; V370-M372 PolarHBondContact O-N 3.37Å |
| 373 | L | 96.5 | Very high | 86.8 | Confident | 23 Ų | 23 | 76 Ų | 76 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.5 | 176.7 | -179.7 | 154.2 | 0 | 0 | 0 | 109.9 | F283 W290 N339 L340 R375 | F283-L373 HydrophobicContact CB-CB 4.26Å; F283-L373 HydrophobicContact CB-CD2 4.44Å; F283-L373 HydrophobicContact CD2-CD2 3.66Å; F283-L373 HydrophobicContact CE2-CD2 4.3Å; F283-L373 HydrophobicContact CG-CD2 4.37Å; F283-L373 PolarHBondContact N-O 3.43Å; F283-L373 PolarHBondContact O-N 2.87Å; W290-L373 HydrophobicContact CE3-CB 3.94Å; W290-L373 HydrophobicContact CH2-CB 3.62Å; W290-L373 HydrophobicContact CH2-CD1 4.25Å; W290-L373 HydrophobicContact CZ2-CB 4.29Å; W290-L373 HydrophobicContact CZ2-CD1 4.09Å; W290-L373 HydrophobicContact CZ3-CB 3.42Å; W290-L373 VanDerWaalsContact CZ3-CB 3.42Å; N339-L373 HydrophobicContact CB-CD1 4.08Å; N339-L373 HydrophobicContact CB-CD2 4.07Å; N339-L373 HydrophobicContact CB-CG 4.05Å; L340-L373 CarbonylContact O-C 3.44Å; L340-L373 WeakPolarHBondContact O-CA 3.41Å; L373-R375 HydrophobicContact CD2-CB 4.07Å |
| 374 | I | 97.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115.2 | 176.4 | -59.5 | 171.1 | 0 | 0 | 0 | 107.2 | C280 L282 L298 L310 I312 N339 L340 L342 L385 | C280-I374 HydrophobicContact CB-CG2 3.76Å; L282-I374 HydrophobicContact CD1-CG1 3.84Å; L298-I374 HydrophobicContact CD1-CD1 3.94Å; L298-I374 HydrophobicContact CD1-CG2 3.96Å; L310-I374 HydrophobicContact CD2-CD1 4.03Å; I312-I374 HydrophobicContact CD1-CD1 4.4Å; N339-I374 CarbonylContact C-O 3.4Å; N339-I374 WeakPolarHBondContact CA-O 3.5Å; L340-I374 HydrophobicContact CB-CB 4.39Å; L340-I374 PolarHBondContact N-O 2.76Å; L340-I374 PolarHBondContact O-N 3.47Å; L342-I374 HydrophobicContact CD2-CD1 3.6Å; L342-I374 HydrophobicContact CD2-CG1 4.36Å; I374-L385 HydrophobicContact CG2-CD2 4.34Å |
| 375 | R | 97 | Very high | 90.7 | Very high | 130 Ų | 130 | 67.2 Ų | 67.2 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.4 | 176.4 | -178.6 | 171.7 | 175.7 | 177.7 | 3.1 | 110 | C280 K281 F283 N338 N339 L373 | C280-R375 CarbonylContact C-O 3.55Å; C280-R375 WeakPolarHBondContact CA-O 3.32Å; K281-R375 PolarHBondContact N-O 3.28Å; K281-R375 PolarHBondContact O-N 2.97Å; F283-R375 HydrophobicContact CD2-CB 4.45Å; F283-R375 HydrophobicContact CE2-CB 3.93Å; N338-R375 PolarHBondContact ND2-NE 3.24Å; N339-R375 WeakPolarHBondContact OD1-CB 3.4Å; N339-R375 VanDerWaalsContact OD1-CG 3.3Å; N339-R375 WeakPolarHBondContact OD1-CG 3.47Å; L373-R375 HydrophobicContact CD2-CB 4.07Å |
| 376 | V | 97 | Very high | 92.3 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 163.7 | 172.3 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | T278 C280 N338 T378 A382 L385 | T278-V376 HydrophobicContact CG2-CG1 4.32Å; C280-V376 HydrophobicContact CB-CG1 4.26Å; N338-V376 HydrophobicContact CB-CG2 4.48Å; N338-V376 PolarHBondContact ND2-O 2.87Å; N338-V376 VanDerWaalsContact O-CG2 3.29Å; N338-V376 WeakPolarHBondContact O-CG2 3.24Å; N338-V376 PolarHBondContact O-N 3.04Å; V376-T378 VanDerWaalsContact CG2-O 3.31Å; V376-T378 WeakPolarHBondContact CG2-O 3.33Å; V376-A382 HydrophobicContact CG2-CB 3.49Å; V376-A382 VanDerWaalsContact CG2-CB 3.49Å; V376-L385 HydrophobicContact CG1-CD2 4.04Å |
| 377 | K | 95.6 | Very high | 93.6 | Very high | 203 Ų | 203 | 62 Ų | 62 | 88% | 0.883 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -66.4 | -40.2 | -174.7 | -172.4 | 176.9 | -179.5 | -178.3 | 0 | 112.8 | ||
| 378 | T | 96.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -119.5 | 146.9 | -173.2 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | V376 G381 A382 | V376-T378 VanDerWaalsContact CG2-O 3.31Å; V376-T378 WeakPolarHBondContact CG2-O 3.33Å; T378-G381 PolarHBondContact O-N 3.2Å; T378-G381 PolarHBondContact OG1-N 2.97Å; T378-A382 PolarHBondContact O-N 2.88Å |
| 379 | E | 95.2 | Very high | 94.6 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 174.2 | 179.5 | 164.4 | -157.6 | 0 | 0 | 112.2 | G381 A382 T383 | E379-G381 VanDerWaalsContact C-N 3.3Å; E379-G381 PolarHBondContact O-N 3.45Å; E379-A382 WeakPolarHBondContact O-CA 3.39Å; E379-A382 VanDerWaalsContact O-CB 3.29Å; E379-A382 WeakPolarHBondContact O-CB 3.4Å; E379-A382 PolarHBondContact O-N 3.41Å; E379-T383 PolarHBondContact O-N 3.28Å; E379-T383 PolarHBondContact O-OG1 3.47Å |
| 380 | E | 95.6 | Very high | 94.6 | Very high | 158 Ų | 158 | 53 Ų | 53 | 74% | 0.738 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.4 | -45 | 174.8 | -64.4 | 177.7 | 179.1 | 0 | 0 | 111.6 | A382 T383 T384 | E380-A382 PolarHBondContact O-N 3.44Å; E380-T383 WeakPolarHBondContact O-CB 3.37Å; E380-T383 PolarHBondContact O-N 3.07Å; E380-T383 VanDerWaalsContact O-N 3.12Å; E380-T384 PolarHBondContact O-N 2.74Å; E380-T384 PolarHBondContact O-OG1 3.02Å; E380-T384 VanDerWaalsContact O-OG1 3.12Å |
| 381 | G | 94.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -27.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T378 E379 L385 | T378-G381 PolarHBondContact O-N 3.2Å; T378-G381 PolarHBondContact OG1-N 2.97Å; E379-G381 VanDerWaalsContact C-N 3.3Å; E379-G381 PolarHBondContact O-N 3.45Å; G381-L385 VanDerWaalsContact O-CB 3.22Å; G381-L385 WeakPolarHBondContact O-CB 3.46Å; G381-L385 PolarHBondContact O-N 2.95Å |
| 382 | A | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.3 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V376 T378 E379 E380 L385 L386 | V376-A382 HydrophobicContact CG2-CB 3.49Å; V376-A382 VanDerWaalsContact CG2-CB 3.49Å; T378-A382 PolarHBondContact O-N 2.88Å; E379-A382 WeakPolarHBondContact O-CA 3.39Å; E379-A382 VanDerWaalsContact O-CB 3.29Å; E379-A382 WeakPolarHBondContact O-CB 3.4Å; E379-A382 PolarHBondContact O-N 3.41Å; E380-A382 PolarHBondContact O-N 3.44Å; A382-L385 PolarHBondContact O-N 2.89Å; A382-L386 PolarHBondContact O-N 2.84Å |
| 383 | T | 95 | Very high | 93.2 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 175.3 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | Q335 E379 E380 L385 L386 N387 | Q335-T383 PolarHBondContact NE2-OG1 2.92Å; E379-T383 PolarHBondContact O-N 3.28Å; E379-T383 PolarHBondContact O-OG1 3.47Å; E380-T383 WeakPolarHBondContact O-CB 3.37Å; E380-T383 PolarHBondContact O-N 3.07Å; E380-T383 VanDerWaalsContact O-N 3.12Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-L385 PolarHBondContact O-N 3.05Å; T383-L386 PolarHBondContact O-N 3.34Å; T383-N387 WeakPolarHBondContact O-CB 3.43Å; T383-N387 VanDerWaalsContact O-CG 3.23Å; T383-N387 PolarHBondContact O-N 3.19Å; T383-N387 PolarHBondContact O-ND2 3.04Å |
| 384 | T | 94.5 | Very high | 92 | Very high | 63 Ų | 63 | 58 Ų | 58 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 174.6 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | F276 E380 L386 N387 Q388 | F276-T384 HydrophobicContact CE2-CG2 4.02Å; F276-T384 HydrophobicContact CZ-CG2 4.15Å; E380-T384 PolarHBondContact O-N 2.74Å; E380-T384 PolarHBondContact O-OG1 3.02Å; E380-T384 VanDerWaalsContact O-OG1 3.12Å; T384-L386 PolarHBondContact O-N 2.9Å; T384-N387 PolarHBondContact O-N 3.33Å; T384-Q388 HydrophobicContact CG2-CG 4.45Å; T384-Q388 VanDerWaalsContact O-CG 3.26Å; T384-Q388 WeakPolarHBondContact O-CG 3.31Å; T384-Q388 PolarHBondContact O-N 2.95Å |
| 385 | L | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 177.6 | 174.6 | 60.9 | 0 | 0 | 0 | 111.6 | F276 T278 L298 I300 L340 I374 V376 G381 A382 T383 Q388 M389 | F276-L385 HydrophobicContact CD1-CD1 3.96Å; F276-L385 HydrophobicContact CE1-CB 4.2Å; F276-L385 HydrophobicContact CE1-CD1 3.79Å; T278-L385 HydrophobicContact CG2-CD1 4.26Å; T278-L385 HydrophobicContact CG2-CD2 4.17Å; L298-L385 HydrophobicContact CD1-CD1 4.31Å; L298-L385 HydrophobicContact CD1-CD2 4.05Å; L298-L385 HydrophobicContact CD2-CD1 3.62Å; I300-L385 HydrophobicContact CD1-CD1 3.66Å; I300-L385 HydrophobicContact CG1-CD1 4.44Å; L340-L385 HydrophobicContact CD1-CB 4.15Å; L340-L385 HydrophobicContact CD1-CD2 3.47Å; L340-L385 VanDerWaalsContact CD1-CD2 3.47Å; L340-L385 HydrophobicContact CD1-CG 3.62Å; I374-L385 HydrophobicContact CG2-CD2 4.34Å; V376-L385 HydrophobicContact CG1-CD2 4.04Å; G381-L385 VanDerWaalsContact O-CB 3.22Å; G381-L385 WeakPolarHBondContact O-CB 3.46Å; G381-L385 PolarHBondContact O-N 2.95Å; A382-L385 PolarHBondContact O-N 2.89Å; T383-L385 VanDerWaalsContact C-N 3.33Å; T383-L385 PolarHBondContact O-N 3.05Å; L385-Q388 PolarHBondContact O-N 3.48Å; L385-M389 HydrophobicContact CD1-CG 4.3Å; L385-M389 HydrophobicContact CD1-SD 4.27Å; L385-M389 HydrophobicContact CG-SD 4.25Å; L385-M389 VanDerWaalsContact O-CG 3.29Å; L385-M389 WeakPolarHBondContact O-CG 3.29Å; L385-M389 PolarHBondContact O-N 3.01Å |
| 386 | L | 93.4 | Very high | 88.2 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 176.8 | -176.8 | 63.9 | 0 | 0 | 0 | 111.5 | I333 Q335 L340 A382 T383 T384 Q388 M389 D390 | I333-L386 HydrophobicContact CB-CD1 4.09Å; I333-L386 HydrophobicContact CG2-CD1 3.68Å; Q335-L386 HydrophobicContact CB-CD2 4.06Å; L340-L386 HydrophobicContact CD2-CB 4.23Å; A382-L386 PolarHBondContact O-N 2.84Å; T383-L386 PolarHBondContact O-N 3.34Å; T384-L386 PolarHBondContact O-N 2.9Å; L386-Q388 VanDerWaalsContact C-N 3.33Å; L386-Q388 PolarHBondContact O-N 3.36Å; L386-M389 WeakPolarHBondContact O-CB 3.48Å; L386-M389 PolarHBondContact O-N 3.3Å; L386-M389 VanDerWaalsContact O-N 3.15Å; L386-D390 PolarHBondContact O-N 3.15Å |
| 387 | N | 92.9 | Very high | 85.9 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 178.2 | -70.1 | -14.1 | 0 | 0 | 0 | 112.2 | T383 T384 D390 S391 | T383-N387 WeakPolarHBondContact O-CB 3.43Å; T383-N387 VanDerWaalsContact O-CG 3.23Å; T383-N387 PolarHBondContact O-N 3.19Å; T383-N387 PolarHBondContact O-ND2 3.04Å; T384-N387 PolarHBondContact O-N 3.33Å; N387-D390 PolarHBondContact O-N 3.17Å; N387-S391 WeakPolarHBondContact O-CB 3.49Å; N387-S391 PolarHBondContact O-N 3.21Å; N387-S391 PolarHBondContact O-OG 3.04Å |
| 388 | Q | 91.9 | Very high | 83.3 | Confident | 60 Ų | 60 | 63 Ų | 63 | 28% | 0.28 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.9 | -69.6 | -66.4 | -33.3 | 0 | 0 | 111.6 | F276 I300 T384 L385 L386 H392 | F276-Q388 HydrophobicContact CB-CB 4.46Å; F276-Q388 HydrophobicContact CB-CG 4.33Å; F276-Q388 HydrophobicContact CD2-CG 3.96Å; F276-Q388 HydrophobicContact CE2-CG 4.38Å; F276-Q388 HydrophobicContact CG-CB 4.38Å; F276-Q388 HydrophobicContact CG-CG 4.02Å; I300-Q388 HydrophobicContact CD1-CB 3.89Å; T384-Q388 HydrophobicContact CG2-CG 4.45Å; T384-Q388 VanDerWaalsContact O-CG 3.26Å; T384-Q388 WeakPolarHBondContact O-CG 3.31Å; T384-Q388 PolarHBondContact O-N 2.95Å; L385-Q388 PolarHBondContact O-N 3.48Å; L386-Q388 VanDerWaalsContact C-N 3.33Å; L386-Q388 PolarHBondContact O-N 3.36Å; Q388-H392 PolarHBondContact O-CD2 3.4Å; Q388-H392 PolarHBondContact O-N 2.73Å |
| 389 | M | 91 | Very high | 80.3 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 175.6 | -69.1 | 178.2 | 77 | 0 | 0 | 111.7 | I300 L308 L310 V327 I333 L340 L385 L386 H392 R393 | I300-M389 HydrophobicContact CD1-CG 3.72Å; L308-M389 HydrophobicContact CD2-CB 4.24Å; L308-M389 HydrophobicContact CD2-CE 4.39Å; L308-M389 HydrophobicContact CD2-CG 3.96Å; L310-M389 HydrophobicContact CD2-CE 4.13Å; V327-M389 HydrophobicContact CG1-CE 4.45Å; V327-M389 HydrophobicContact CG2-CE 4.35Å; I333-M389 HydrophobicContact CD1-CB 4.43Å; I333-M389 HydrophobicContact CD1-CE 3.41Å; I333-M389 VanDerWaalsContact CD1-CE 3.41Å; I333-M389 HydrophobicContact CD1-SD 4.2Å; I333-M389 HydrophobicContact CG1-CE 4.42Å; L340-M389 HydrophobicContact CD1-SD 4.41Å; L385-M389 HydrophobicContact CD1-CG 4.3Å; L385-M389 HydrophobicContact CD1-SD 4.27Å; L385-M389 HydrophobicContact CG-SD 4.25Å; L385-M389 VanDerWaalsContact O-CG 3.29Å; L385-M389 WeakPolarHBondContact O-CG 3.29Å; L385-M389 PolarHBondContact O-N 3.01Å; L386-M389 WeakPolarHBondContact O-CB 3.48Å; L386-M389 PolarHBondContact O-N 3.3Å; L386-M389 VanDerWaalsContact O-N 3.15Å; M389-H392 PolarHBondContact O-N 2.93Å; M389-R393 WeakPolarHBondContact O-CB 3.38Å; M389-R393 PolarHBondContact O-N 3.08Å; M389-R393 VanDerWaalsContact O-N 3.11Å |
| 390 | D | 89.8 | Confident | 79.6 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 23% | 0.225 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | -178.8 | -76 | -26.3 | 0 | 0 | 0 | 112.3 | L386 N387 H392 R393 V395 | L386-D390 PolarHBondContact O-N 3.15Å; N387-D390 PolarHBondContact O-N 3.17Å; D390-H392 VanDerWaalsContact C-N 3.29Å; D390-H392 PolarHBondContact O-N 2.82Å; D390-R393 PolarHBondContact O-N 2.76Å; D390-V395 HydrophobicContact CB-CB 4.27Å; D390-V395 PolarHBondContact O-N 3.45Å |
| 391 | S | 88.3 | Confident | 78.7 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.9 | -40 | 176.3 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | N387 | N387-S391 WeakPolarHBondContact O-CB 3.49Å; N387-S391 PolarHBondContact O-N 3.21Å; N387-S391 PolarHBondContact O-OG 3.04Å |
| 392 | H | 85 | Confident | 77.8 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 25% | 0.245 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -91.3 | -9.7 | -178 | -71.8 | -58.1 | 0 | 0 | 0 | 114.5 | V275 L308 Q388 M389 D390 | V275-H392 WeakPolarHBondContact CG1-NE2 3.41Å; L308-H392 HydrophobicContact CD1-CB 3.6Å; Q388-H392 PolarHBondContact O-CD2 3.4Å; Q388-H392 PolarHBondContact O-N 2.73Å; M389-H392 PolarHBondContact O-N 2.93Å; D390-H392 VanDerWaalsContact C-N 3.29Å; D390-H392 PolarHBondContact O-N 2.82Å |
| 393 | R | 81.5 | Confident | 76.8 | Confident | 14 Ų | 14 | 67.2 Ų | 67.2 | 5% | 0.053 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 7.1 | -176.4 | -174.5 | 176.6 | 173.4 | -98.2 | -10.1 | 113 | T328 K329 E330 M331 M389 D390 V395 | T328-R393 VanDerWaalsContact C-NE 3.34Å; T328-R393 PolarHBondContact O-NE 2.91Å; T328-R393 PolarHBondContact O-NH2 3.47Å; K329-R393 VanDerWaalsContact C-CZ 3.42Å; K329-R393 VanDerWaalsContact CA-CZ 3.46Å; K329-R393 VanDerWaalsContact CA-NH2 3.32Å; K329-R393 VanDerWaalsContact O-CZ 3.29Å; K329-R393 PolarHBondContact O-NH1 2.87Å; K329-R393 PolarHBondContact O-NH2 3.21Å; E330-R393 VanDerWaalsContact C-NH2 3.29Å; M331-R393 VanDerWaalsContact CA-NH2 3.35Å; M331-R393 PolarHBondContact O-NH2 2.91Å; M389-R393 WeakPolarHBondContact O-CB 3.38Å; M389-R393 PolarHBondContact O-N 3.08Å; M389-R393 VanDerWaalsContact O-N 3.11Å; D390-R393 PolarHBondContact O-N 2.76Å; R393-V395 HydrophobicContact CB-CG2 4.44Å; R393-V395 HydrophobicContact CG-CG2 4.28Å; R393-V395 PolarHBondContact O-N 2.81Å |
| 394 | G | 69.3 | Low | 75.6 | Confident | 31 Ų | 31 | 68 Ų | 68 | 32% | 0.32 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 20.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K329 S396 | K329-G394 PolarHBondContact NZ-O 3.29Å; K329-G394 VanDerWaalsContact NZ-O 3.07Å; G394-S396 PolarHBondContact O-N 3.14Å |
| 395 | V | 64.4 | Low | 74.4 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 26% | 0.261 | 41% | 0.414 | S | S | . | . | trans | -88 | 89 | 169.5 | -174.8 | 0 | 0 | 0 | 0 | 106.2 | K329 D390 R393 A397 | K329-V395 HydrophobicContact CG-CG2 4.08Å; D390-V395 HydrophobicContact CB-CB 4.27Å; D390-V395 PolarHBondContact O-N 3.45Å; R393-V395 HydrophobicContact CB-CG2 4.44Å; R393-V395 HydrophobicContact CG-CG2 4.28Å; R393-V395 PolarHBondContact O-N 2.81Å; V395-A397 PolarHBondContact O-N 3.15Å; V395-A397 VanDerWaalsContact O-N 3.09Å | ||
| 396 | S | 51.8 | Low | 73 | Confident | 106 Ų | 106 | 73.2 Ų | 73.2 | 74% | 0.741 | 44% | 0.444 | S | S | * | . | trans | -50.6 | 121.7 | 164 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | G394 K398 | G394-S396 PolarHBondContact O-N 3.14Å; S396-K398 PolarHBondContact O-N 3.38Å; S396-K398 VanDerWaalsContact O-N 3.13Å | ||
| 397 | A | 48.1 | Very low | 71.4 | Confident | 85 Ų | 85 | 77 Ų | 77 | 70% | 0.702 | 47% | 0.468 | S | S | * | . | trans | -46.8 | 124.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108 | V395 S399 | V395-A397 PolarHBondContact O-N 3.15Å; V395-A397 VanDerWaalsContact O-N 3.09Å; A397-S399 PolarHBondContact O-N 3.01Å | ||
| 398 | K | 41.5 | Very low | 69.6 | Low | 211 Ų | 211 | 76 Ų | 76 | 92% | 0.917 | 47% | 0.468 | S | S | * | . | trans | -58.8 | 108.8 | 169.1 | -76.7 | -179 | 176.2 | -179.4 | 0 | 106.3 | S396 | S396-K398 PolarHBondContact O-N 3.38Å; S396-K398 VanDerWaalsContact O-N 3.13Å | ||
| 399 | S | 32.7 | Very low | 67.6 | Low | 183 Ų | 183 | 77.5 Ų | 77.5 | 100% | 1.28 | 49% | 0.485 | S | S | * | . | trans | -65.2 | 0 | 158.4 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | A397 | A397-S399 PolarHBondContact O-N 3.01Š|
Retrieved 399 of 399 residues in 58.8 ms
(Link to these results)