| 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 | 36 | Very low | 40 | Very low | 250 Ų | 250 | 151.4 Ų | 151.4 | 100% | 1.232 | 80% | 0.801 | S | S | * | * | 0 | 132.9 | 0 | -70.8 | 175.8 | 78.5 | 0 | 0 | 107.5 | |||||
| 2 | A | 38.4 | Very low | 39.8 | Very low | 89 Ų | 89 | 152.3 Ų | 152.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -91.5 | 179 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | T | 42.9 | Very low | 39.8 | Very low | 121 Ų | 121 | 154.8 Ų | 154.8 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 94.7 | 129.8 | 169.1 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 4 | Y | 33.9 | Very low | 39.6 | Very low | 224 Ų | 224 | 158.3 Ų | 158.3 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | cis | -162.4 | 162.2 | 43.3 | -105 | -91.3 | 0 | 0 | 0 | 112.3 | ||||
| 5 | G | 34.3 | Very low | 39.6 | Very low | 63 Ų | 63 | 155.7 Ų | 155.7 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | trans | 96.6 | 109.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 6 | E | 38 | Very low | 39.8 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | 76.5 | 102.9 | 90.7 | -85.5 | -101.6 | 153.2 | 0 | 0 | 113.6 | |||||
| 7 | E | 39.3 | Very low | 39.9 | Very low | 180 Ų | 180 | 155.8 Ų | 155.8 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -165.1 | 154.4 | 134.5 | -115.7 | -130.8 | 116.3 | 0 | 0 | 112.5 | ||||
| 8 | P | 57.2 | Low | 40.3 | Very low | 99 Ų | 99 | 155.4 Ų | 155.4 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -108.4 | -157.5 | -165.7 | 38.8 | -22.9 | 0 | 0 | 0 | 112.3 | ||||
| 9 | V | 44.6 | Very low | 41 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | 94.6 | 78.4 | 168.4 | -161.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 10 | D | 41.1 | Very low | 41.2 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | 43.1 | 146.3 | 107 | -145.5 | 7.6 | 0 | 0 | 0 | 120.1 | |||||
| 11 | R | 33.8 | Very low | 41.4 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 67% | 0.672 | 78% | 0.782 | S | S | * | * | trans | 85.2 | 120.2 | 156.8 | -120.1 | 168.6 | 170.5 | 169.2 | -0.2 | 115.3 | ||||
| 12 | Y | 38.6 | Very low | 41.8 | Very low | 162 Ų | 162 | 145 Ų | 145 | 64% | 0.635 | 76% | 0.756 | S | S | * | * | cis | -170.2 | 163.6 | 49.7 | -83.9 | -93.2 | 0 | 0 | 0 | 112.3 | ||||
| 13 | F | 38.8 | Very low | 42.1 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 83.2 | 117.4 | 163.4 | -64.3 | -86.3 | 0 | 0 | 0 | 116.2 | ||
| 14 | Y | 37.6 | Very low | 42 | Very low | 204 Ų | 204 | 155 Ų | 155 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | cis | -161.3 | 120.4 | 9.8 | -160.5 | -111.1 | 0 | 0 | 0 | 107.5 | ||||
| 15 | S | 40 | Very low | 42.3 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -88.4 | 109.7 | 175 | -167.6 | 0 | 0 | 0 | 0 | 108.6 | Y17 | S15-Y17 PolarHBondContact O-N 3.09Å; S15-Y17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | S | 42.7 | Very low | 42.9 | Very low | 106 Ų | 106 | 159.4 Ų | 159.4 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | -74.1 | 99.4 | 174.3 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | Y | 41.1 | Very low | 43.2 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -58.5 | 124.9 | 170 | -163.1 | -105.1 | 0 | 0 | 0 | 110.6 | S15 P19 | S15-Y17 PolarHBondContact O-N 3.09Å; S15-Y17 VanDerWaalsContact O-N 3.09Å; Y17-P19 HydrophobicContact CD1-CB 4.11Å; Y17-P19 HydrophobicContact CD1-CG 3.86Å; Y17-P19 HydrophobicContact CE1-CB 3.61Å; Y17-P19 HydrophobicContact CE1-CG 3.76Å | ||
| 18 | N | 47.8 | Very low | 43.3 | Very low | 150 Ų | 150 | 159.3 Ų | 159.3 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -121.2 | 98.3 | 166.6 | -160.7 | 13.7 | 0 | 0 | 0 | 108.4 | ||||
| 19 | P | 52.1 | Low | 42.6 | Very low | 66 Ų | 66 | 159 Ų | 159 | 43% | 0.429 | 78% | 0.781 | S | S | . | * | trans | -82.5 | 141 | 178.2 | 31.2 | -25.2 | 0 | 0 | 0 | 109.2 | Y17 | Y17-P19 HydrophobicContact CD1-CB 4.11Å; Y17-P19 HydrophobicContact CD1-CG 3.86Å; Y17-P19 HydrophobicContact CE1-CB 3.61Å; Y17-P19 HydrophobicContact CE1-CG 3.76Å | ||
| 20 | Y | 45.8 | Very low | 42.7 | Very low | 219 Ų | 219 | 157.7 Ų | 157.7 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 81.7 | 81.6 | -174.3 | -60.6 | -89 | 0 | 0 | 0 | 115.7 | ||||
| 21 | V | 45.2 | Very low | 42.8 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | -159 | 91.1 | 110.1 | -169.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 22 | G | 44.4 | Very low | 43.2 | Very low | 66 Ų | 66 | 157.8 Ų | 157.8 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -79.9 | 133.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 23 | R | 45.8 | Very low | 43.4 | Very low | 217 Ų | 217 | 159.5 Ų | 159.5 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 157.1 | 108.3 | 140.2 | -72.9 | -123.6 | -160.1 | -140.3 | 1.2 | 110 | ||
| 24 | Y | 39 | Very low | 43.5 | Very low | 203 Ų | 203 | 161.1 Ų | 161.1 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 66.9 | 95.8 | 163.5 | -56.5 | -77.4 | 0 | 0 | 0 | 119.3 | R26 | Y24-R26 VanDerWaalsContact C-N 3.32Å; Y24-R26 PolarHBondContact O-N 3.01Å | ||
| 25 | T | 40.6 | Very low | 43.6 | Very low | 154 Ų | 154 | 161.1 Ų | 161.1 | 95% | 0.945 | 81% | 0.809 | S | S | * | * | trans | -68.4 | 86.7 | 150.5 | 23.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | R | 46.5 | Very low | 43.6 | Very low | 226 Ų | 226 | 157.5 Ų | 157.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -77.8 | 130.8 | 157 | -104.5 | -173.4 | 177.9 | -177.5 | 0.9 | 108.2 | Y24 R28 | Y24-R26 VanDerWaalsContact C-N 3.32Å; Y24-R26 PolarHBondContact O-N 3.01Å; R26-R28 PolarHBondContact O-N 3.2Å | ||
| 27 | P | 44.3 | Very low | 43.7 | Very low | 130 Ų | 130 | 163.4 Ų | 163.4 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | trans | -63.1 | 105.7 | 164.4 | -16.2 | 29.6 | 0 | 0 | 0 | 108.2 | A29 | P27-A29 PolarHBondContact O-N 2.79Š| ||
| 28 | R | 42 | Very low | 43.8 | Very low | 243 Ų | 243 | 163.2 Ų | 163.2 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -58.3 | 121.2 | 171.8 | -160.8 | 176.4 | -172 | 176.9 | 2.2 | 106.9 | R26 A30 | R26-R28 PolarHBondContact O-N 3.2Å; R28-A30 PolarHBondContact O-N 2.93Å | ||
| 29 | A | 43.3 | Very low | 43.6 | Very low | 92 Ų | 92 | 159 Ų | 159 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -42.8 | 122.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P27 G31 | P27-A29 PolarHBondContact O-N 2.79Å; A29-G31 PolarHBondContact O-N 3.31Å | ||
| 30 | A | 46.9 | Very low | 43.3 | Very low | 96 Ų | 96 | 165 Ų | 165 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -53.8 | 121.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | R28 | R28-A30 PolarHBondContact O-N 2.93Š| ||
| 31 | G | 42.2 | Very low | 43.2 | Very low | 62 Ų | 62 | 164.6 Ų | 164.6 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | trans | -49.3 | 141.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | A29 K33 | A29-G31 PolarHBondContact O-N 3.31Å; G31-K33 PolarHBondContact O-N 2.8Å | ||
| 32 | W | 42.9 | Very low | 43.4 | Very low | 261 Ų | 261 | 161 Ų | 161 | 99% | 0.989 | 80% | 0.797 | S | S | * | * | trans | -51.6 | 97.6 | 173 | -72.5 | 8.4 | 0 | 0 | 0 | 110.3 | Y34 | W32-Y34 PolarHBondContact O-N 3.17Š| ||
| 33 | K | 41.4 | Very low | 43.4 | Very low | 197 Ų | 197 | 162.5 Ų | 162.5 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -78.1 | 102.5 | 160.2 | -66.7 | -132.2 | 178.6 | -174.6 | 0 | 106.3 | G31 K35 | G31-K33 PolarHBondContact O-N 2.8Å; K33-K35 VanDerWaalsContact C-N 3.27Å; K33-K35 PolarHBondContact O-N 3.46Å | ||
| 34 | Y | 40.9 | Very low | 44 | Very low | 220 Ų | 220 | 159 Ų | 159 | 86% | 0.863 | 79% | 0.788 | S | S | * | * | trans | -51 | 94.8 | 162.6 | -173.6 | -97.4 | 0 | 0 | 0 | 108.1 | W32 G36 | W32-Y34 PolarHBondContact O-N 3.17Å; Y34-G36 PolarHBondContact O-N 3.23Å | ||
| 35 | K | 41.5 | Very low | 44.9 | Very low | 203 Ų | 203 | 152.4 Ų | 152.4 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -75.2 | 87.5 | 174 | -164.7 | 174.3 | -174.5 | 179.2 | 0 | 106.2 | K33 Y37 | K33-K35 VanDerWaalsContact C-N 3.27Å; K33-K35 PolarHBondContact O-N 3.46Å; K35-Y37 PolarHBondContact O-N 2.95Å | ||
| 36 | G | 38.6 | Very low | 45.7 | Very low | 44 Ų | 44 | 149.5 Ų | 149.5 | 45% | 0.454 | 75% | 0.75 | S | S | . | * | trans | -50.8 | 128.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y34 F38 | Y34-G36 PolarHBondContact O-N 3.23Å; G36-F38 PolarHBondContact O-N 2.93Å | ||
| 37 | Y | 46.3 | Very low | 46.2 | Very low | 230 Ų | 230 | 141.4 Ų | 141.4 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | trans | -70.8 | 64.7 | 172.3 | -145.6 | -93.9 | 0 | 0 | 0 | 108.8 | K35 S39 | K35-Y37 PolarHBondContact O-N 2.95Å; Y37-S39 PolarHBondContact O-N 3.23Å | ||
| 38 | F | 42.6 | Very low | 46.9 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 89% | 0.886 | 72% | 0.719 | S | S | * | * | trans | -92.4 | 85.9 | 167 | -120.7 | -90.2 | 0 | 0 | 0 | 107.5 | G36 | G36-F38 PolarHBondContact O-N 2.93Š| ||
| 39 | S | 43.7 | Very low | 48.6 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 43% | 0.427 | 70% | 0.699 | S | S | . | * | trans | -49.5 | 136.3 | 168.1 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | Y37 Y41 | Y37-S39 PolarHBondContact O-N 3.23Å; S39-Y41 PolarHBondContact O-N 2.83Å; S39-Y41 WeakPolarHBondContact OG-CD2 3.5Å; S39-Y41 WeakPolarHBondContact OG-CE2 3.35Å | ||
| 40 | H | 44.9 | Very low | 50.2 | Low | 193 Ų | 193 | 134.6 Ų | 134.6 | 89% | 0.894 | 69% | 0.687 | S | S | * | * | trans | -62.3 | 68.4 | 170 | -77.9 | -90.3 | 0 | 0 | 0 | 110.9 | G42 | H40-G42 PolarHBondContact O-N 2.9Å; H40-G42 VanDerWaalsContact O-N 3.11Å | ||
| 41 | Y | 45 | Very low | 51.9 | Low | 211 Ų | 211 | 135.3 Ų | 135.3 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | trans | -83.3 | 51.1 | 169.2 | -85.9 | -75.6 | 0 | 0 | 0 | 110.6 | S39 | S39-Y41 PolarHBondContact O-N 2.83Å; S39-Y41 WeakPolarHBondContact OG-CD2 3.5Å; S39-Y41 WeakPolarHBondContact OG-CE2 3.35Å | ||
| 42 | G | 48.7 | Very low | 53.9 | Low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | -139.2 | 29.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H40 | H40-G42 PolarHBondContact O-N 2.9Å; H40-G42 VanDerWaalsContact O-N 3.11Å | ||
| 43 | D | 45.1 | Very low | 55.8 | Low | 98 Ų | 98 | 131.5 Ų | 131.5 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | trans | -88.3 | 110.8 | 164 | -157.7 | -28.1 | 0 | 0 | 0 | 107.8 | S45 D46 A47 | D43-S45 PolarHBondContact O-N 3Å; D43-S45 PolarHBondContact OD1-N 3.34Å; D43-S45 PolarHBondContact OD1-OG 2.87Å; D43-D46 PolarHBondContact O-N 2.76Å; D43-A47 PolarHBondContact O-N 3.19Å | ||
| 44 | N | 56.8 | Low | 57.8 | Low | 145 Ų | 145 | 124.7 Ų | 124.7 | 78% | 0.775 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -56.7 | -21.5 | -178.6 | -107.9 | 5.4 | 0 | 0 | 0 | 112.4 | ||
| 45 | S | 58.8 | Low | 60 | Low | 63 Ų | 63 | 118.6 Ų | 118.6 | 44% | 0.441 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.1 | -34.4 | 175.4 | 64 | 0 | 0 | 0 | 0 | 113.2 | D43 N49 | D43-S45 PolarHBondContact O-N 3Å; D43-S45 PolarHBondContact OD1-N 3.34Å; D43-S45 PolarHBondContact OD1-OG 2.87Å; S45-N49 PolarHBondContact O-N 3.03Å; S45-N49 PolarHBondContact O-ND2 2.96Å |
| 46 | D | 57.6 | Low | 62.1 | Low | 94 Ų | 94 | 114 Ų | 114 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -78 | -29.1 | 177.2 | -79.6 | -28.1 | 0 | 0 | 0 | 112.2 | D43 N49 N50 | D43-D46 PolarHBondContact O-N 2.76Å; D46-N49 PolarHBondContact O-N 3.29Å; D46-N50 VanDerWaalsContact O-CB 3.27Å; D46-N50 WeakPolarHBondContact O-CB 3.47Å; D46-N50 PolarHBondContact O-N 3.36Å; D46-N50 PolarHBondContact O-ND2 2.76Å |
| 47 | A | 56.7 | Low | 64 | Low | 56 Ų | 56 | 118.2 Ų | 118.2 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.5 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D43 N50 H51 | D43-A47 PolarHBondContact O-N 3.19Å; A47-N50 PolarHBondContact O-N 3.11Å; A47-H51 PolarHBondContact O-N 2.73Å |
| 48 | F | 59.3 | Low | 65.7 | Low | 137 Ų | 137 | 109.9 Ų | 109.9 | 60% | 0.601 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.2 | -43.8 | 177.5 | -167.2 | -104.8 | 0 | 0 | 0 | 111.9 | N50 H51 Q52 | F48-N50 VanDerWaalsContact C-N 3.31Å; F48-N50 PolarHBondContact O-N 2.98Å; F48-H51 PolarHBondContact O-N 3.38Å; F48-Q52 HydrophobicContact CE1-CG 4.38Å; F48-Q52 WeakPolarHBondContact O-CG 3.31Å; F48-Q52 PolarHBondContact O-N 3.42Å |
| 49 | N | 76.8 | Confident | 67.6 | Low | 92 Ų | 92 | 104 Ų | 104 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 173.9 | -85 | -35.2 | 0 | 0 | 0 | 112.5 | S45 D46 R53 | S45-N49 PolarHBondContact O-N 3.03Å; S45-N49 PolarHBondContact O-ND2 2.96Å; D46-N49 PolarHBondContact O-N 3.29Å; N49-R53 WeakPolarHBondContact O-CB 3.27Å; N49-R53 PolarHBondContact O-N 2.85Å |
| 50 | N | 77.5 | Confident | 69.4 | Low | 93 Ų | 93 | 106.6 Ų | 106.6 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -36.9 | 175.6 | -77.5 | -39.8 | 0 | 0 | 0 | 112.2 | D46 A47 F48 R53 A54 | D46-N50 VanDerWaalsContact O-CB 3.27Å; D46-N50 WeakPolarHBondContact O-CB 3.47Å; D46-N50 PolarHBondContact O-N 3.36Å; D46-N50 PolarHBondContact O-ND2 2.76Å; A47-N50 PolarHBondContact O-N 3.11Å; F48-N50 VanDerWaalsContact C-N 3.31Å; F48-N50 PolarHBondContact O-N 2.98Å; N50-R53 PolarHBondContact O-N 3.44Å; N50-A54 WeakPolarHBondContact O-CB 3.37Å; N50-A54 PolarHBondContact O-N 3.33Å |
| 51 | H | 82.1 | Confident | 70.8 | Confident | 111 Ų | 111 | 99.8 Ų | 99.8 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -47.2 | 175.6 | -164.3 | 71.9 | 0 | 0 | 0 | 111.8 | A47 F48 R53 A54 Q55 | A47-H51 PolarHBondContact O-N 2.73Å; F48-H51 PolarHBondContact O-N 3.38Å; H51-R53 VanDerWaalsContact C-N 3.3Å; H51-R53 PolarHBondContact O-N 3.28Å; H51-A54 WeakPolarHBondContact O-CB 3.11Å; H51-A54 PolarHBondContact O-N 3.03Å; H51-A54 VanDerWaalsContact O-N 3.12Å; H51-Q55 PolarHBondContact CD2-NE2 3.32Å; H51-Q55 PolarHBondContact NE2-NE2 3.45Å; H51-Q55 WeakPolarHBondContact O-CG 3.3Å; H51-Q55 PolarHBondContact O-N 2.91Å |
| 52 | Q | 83.9 | Confident | 72.2 | Confident | 84 Ų | 84 | 97 Ų | 97 | 39% | 0.393 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 174.7 | -70.6 | -174.9 | -15.9 | 0 | 0 | 111.9 | F48 A54 Q55 L56 | F48-Q52 HydrophobicContact CE1-CG 4.38Å; F48-Q52 WeakPolarHBondContact O-CG 3.31Å; F48-Q52 PolarHBondContact O-N 3.42Å; Q52-A54 VanDerWaalsContact C-N 3.32Å; Q52-A54 PolarHBondContact O-N 3.08Å; Q52-Q55 PolarHBondContact O-N 2.93Å; Q52-L56 WeakPolarHBondContact O-CG 3.47Å; Q52-L56 PolarHBondContact O-N 3.35Å |
| 53 | R | 83.9 | Confident | 73.6 | Confident | 158 Ų | 158 | 99.1 Ų | 99.1 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -35.1 | 175.9 | -169.2 | 174.5 | -169.6 | 164.6 | 3 | 112.5 | N49 N50 H51 K57 | N49-R53 WeakPolarHBondContact O-CB 3.27Å; N49-R53 PolarHBondContact O-N 2.85Å; N50-R53 PolarHBondContact O-N 3.44Å; H51-R53 VanDerWaalsContact C-N 3.3Å; H51-R53 PolarHBondContact O-N 3.28Å; R53-K57 WeakPolarHBondContact O-CB 3.33Å; R53-K57 WeakPolarHBondContact O-CG 3.12Å; R53-K57 PolarHBondContact O-N 3Å; R53-K57 VanDerWaalsContact O-N 3.14Å |
| 54 | A | 83.1 | Confident | 74.4 | Confident | 54 Ų | 54 | 98.1 Ų | 98.1 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N50 H51 Q52 K57 S58 | N50-A54 WeakPolarHBondContact O-CB 3.37Å; N50-A54 PolarHBondContact O-N 3.33Å; H51-A54 WeakPolarHBondContact O-CB 3.11Å; H51-A54 PolarHBondContact O-N 3.03Å; H51-A54 VanDerWaalsContact O-N 3.12Å; Q52-A54 VanDerWaalsContact C-N 3.32Å; Q52-A54 PolarHBondContact O-N 3.08Å; A54-K57 PolarHBondContact O-N 2.87Å; A54-S58 PolarHBondContact O-N 3.5Å; A54-S58 PolarHBondContact O-OG 2.97Å |
| 55 | Q | 86 | Confident | 74.8 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177 | -70.3 | 179.7 | -9.9 | 0 | 0 | 112.5 | H51 Q52 K57 S58 I59 | H51-Q55 PolarHBondContact CD2-NE2 3.32Å; H51-Q55 PolarHBondContact NE2-NE2 3.45Å; H51-Q55 WeakPolarHBondContact O-CG 3.3Å; H51-Q55 PolarHBondContact O-N 2.91Å; Q52-Q55 PolarHBondContact O-N 2.93Å; Q55-K57 VanDerWaalsContact C-N 3.31Å; Q55-K57 PolarHBondContact O-N 3.21Å; Q55-S58 WeakPolarHBondContact CA-OG 3.16Å; Q55-S58 PolarHBondContact O-N 3.05Å; Q55-S58 PolarHBondContact O-OG 3.43Å; Q55-I59 VanDerWaalsContact O-CG1 3.3Å; Q55-I59 WeakPolarHBondContact O-CG1 3.17Å; Q55-I59 PolarHBondContact O-N 3.43Å |
| 56 | L | 85.6 | Confident | 74.8 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -37 | 175.8 | -71.8 | 171.7 | 0 | 0 | 0 | 111.7 | Q52 I59 L60 | Q52-L56 WeakPolarHBondContact O-CG 3.47Å; Q52-L56 PolarHBondContact O-N 3.35Å; L56-I59 PolarHBondContact O-N 3.32Å; L56-L60 WeakPolarHBondContact O-CB 3.11Å; L56-L60 WeakPolarHBondContact O-CG 3.26Å; L56-L60 PolarHBondContact O-N 3.29Å |
| 57 | K | 79.3 | Confident | 74.8 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 173.9 | -77.3 | 173.6 | 178.9 | -179.4 | 0 | 112.3 | R53 A54 Q55 S61 | R53-K57 WeakPolarHBondContact O-CB 3.33Å; R53-K57 WeakPolarHBondContact O-CG 3.12Å; R53-K57 PolarHBondContact O-N 3Å; R53-K57 VanDerWaalsContact O-N 3.14Å; A54-K57 PolarHBondContact O-N 2.87Å; Q55-K57 VanDerWaalsContact C-N 3.31Å; Q55-K57 PolarHBondContact O-N 3.21Å; K57-S61 WeakPolarHBondContact O-CB 3.16Å; K57-S61 PolarHBondContact O-N 3.48Å; K57-S61 VanDerWaalsContact O-N 3.08Å |
| 58 | S | 81.4 | Confident | 74.8 | Confident | 55 Ų | 55 | 103.5 Ų | 103.5 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.5 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | A54 Q55 S61 Q62 | A54-S58 PolarHBondContact O-N 3.5Å; A54-S58 PolarHBondContact O-OG 2.97Å; Q55-S58 WeakPolarHBondContact CA-OG 3.16Å; Q55-S58 PolarHBondContact O-N 3.05Å; Q55-S58 PolarHBondContact O-OG 3.43Å; S58-S61 PolarHBondContact O-N 3.32Å; S58-S61 PolarHBondContact O-OG 3.25Å; S58-Q62 WeakPolarHBondContact O-CG 3.41Å; S58-Q62 PolarHBondContact O-N 2.94Å |
| 59 | I | 84.1 | Confident | 74.6 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 41% | 0.41 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 178.3 | -67.1 | 165.6 | 0 | 0 | 0 | 110.9 | Q55 L56 S61 Q62 I63 | Q55-I59 VanDerWaalsContact O-CG1 3.3Å; Q55-I59 WeakPolarHBondContact O-CG1 3.17Å; Q55-I59 PolarHBondContact O-N 3.43Å; L56-I59 PolarHBondContact O-N 3.32Å; I59-S61 PolarHBondContact O-N 2.88Å; I59-Q62 PolarHBondContact O-N 3.47Å; I59-Q62 VanDerWaalsContact O-N 3.1Å; I59-I63 HydrophobicContact CG2-CD1 3.51Å; I59-I63 HydrophobicContact CG2-CG1 4.37Å; I59-I63 WeakPolarHBondContact O-CG1 3.48Å; I59-I63 PolarHBondContact O-N 3.2Å; I59-I63 VanDerWaalsContact O-N 3.07Å |
| 60 | L | 80.3 | Confident | 73.5 | Confident | 114 Ų | 114 | 108.4 Ų | 108.4 | 60% | 0.597 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.8 | -32 | 178.3 | -71.7 | 171.7 | 0 | 0 | 0 | 112.7 | L56 N64 | L56-L60 WeakPolarHBondContact O-CB 3.11Å; L56-L60 WeakPolarHBondContact O-CG 3.26Å; L56-L60 PolarHBondContact O-N 3.29Å; L60-N64 PolarHBondContact O-N 3.25Å; L60-N64 VanDerWaalsContact O-N 3.11Å |
| 61 | S | 73.7 | Confident | 72.3 | Confident | 51 Ų | 51 | 111.4 Ų | 111.4 | 36% | 0.357 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.3 | -30.2 | 175.7 | 76 | 0 | 0 | 0 | 0 | 113.7 | K57 S58 I59 | K57-S61 WeakPolarHBondContact O-CB 3.16Å; K57-S61 PolarHBondContact O-N 3.48Å; K57-S61 VanDerWaalsContact O-N 3.08Å; S58-S61 PolarHBondContact O-N 3.32Å; S58-S61 PolarHBondContact O-OG 3.25Å; I59-S61 PolarHBondContact O-N 2.88Å |
| 62 | Q | 75.4 | Confident | 71 | Confident | 153 Ų | 153 | 117.4 Ų | 117.4 | 72% | 0.715 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78.3 | -38 | 177.5 | -71.5 | 173.8 | -7 | 0 | 0 | 111.8 | S58 I59 | S58-Q62 WeakPolarHBondContact O-CG 3.41Å; S58-Q62 PolarHBondContact O-N 2.94Å; I59-Q62 PolarHBondContact O-N 3.47Å; I59-Q62 VanDerWaalsContact O-N 3.1Å |
| 63 | I | 77.9 | Confident | 69.5 | Low | 113 Ų | 113 | 122.8 Ų | 122.8 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.8 | -32.5 | -176.1 | -59.9 | 169.9 | 0 | 0 | 0 | 111.5 | I59 | I59-I63 HydrophobicContact CG2-CD1 3.51Å; I59-I63 HydrophobicContact CG2-CG1 4.37Å; I59-I63 WeakPolarHBondContact O-CG1 3.48Å; I59-I63 PolarHBondContact O-N 3.2Å; I59-I63 VanDerWaalsContact O-N 3.07Å |
| 64 | N | 61.1 | Low | 67.8 | Low | 77 Ų | 77 | 118.6 Ų | 118.6 | 41% | 0.412 | 60% | 0.602 | S | S | . | * | trans | -144.8 | 86.4 | -178.2 | -84.3 | -60 | 0 | 0 | 0 | 112.7 | L60 K66 L67 | L60-N64 PolarHBondContact O-N 3.25Å; L60-N64 VanDerWaalsContact O-N 3.11Å; N64-K66 PolarHBondContact O-N 3Å; N64-L67 HydrophobicContact CB-CB 4.04Å; N64-L67 HydrophobicContact CB-CD1 3.74Å; N64-L67 HydrophobicContact CB-CG 4.02Å; N64-L67 PolarHBondContact O-N 2.04Å | ||
| 65 | P | 65.6 | Low | 66.2 | Low | 91 Ų | 91 | 120.9 Ų | 120.9 | 59% | 0.591 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -5.8 | 179.1 | 27 | -35.2 | 0 | 0 | 0 | 114 | T68 | P65-T68 PolarHBondContact O-OG1 2.8Š|
| 66 | K | 59.3 | Low | 64.6 | Low | 189 Ų | 189 | 122.8 Ų | 122.8 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -14.9 | 175.6 | -65.5 | -179.6 | -178.2 | 174 | 0 | 113.8 | N64 | N64-K66 PolarHBondContact O-N 3Š|
| 67 | L | 58.1 | Low | 63.4 | Low | 138 Ų | 138 | 125.5 Ų | 125.5 | 72% | 0.723 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -15.6 | 178.4 | -72.8 | 174.4 | 0 | 0 | 0 | 113.2 | N64 | N64-L67 HydrophobicContact CB-CB 4.04Å; N64-L67 HydrophobicContact CB-CD1 3.74Å; N64-L67 HydrophobicContact CB-CG 4.02Å; N64-L67 PolarHBondContact O-N 2.04Å |
| 68 | T | 56.7 | Low | 61.9 | Low | 52 Ų | 52 | 125.6 Ų | 125.6 | 32% | 0.319 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -66.1 | 127.1 | 166 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | P65 R70 | P65-T68 PolarHBondContact O-OG1 2.8Å; T68-R70 PolarHBondContact O-N 3.12Å |
| 69 | P | 54.8 | Low | 60.7 | Low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | trans | -56.1 | 110.4 | 168.8 | 22.9 | -30.1 | 0 | 0 | 0 | 105.9 | L71 | P69-L71 PolarHBondContact O-N 3.06Š| ||
| 70 | R | 54.7 | Low | 58.7 | Low | 213 Ų | 213 | 129.5 Ų | 129.5 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -47.5 | 111.4 | 179.6 | -77.5 | -175 | 169.2 | 162.2 | -3.6 | 106.3 | T68 R72 | T68-R70 PolarHBondContact O-N 3.12Å; R70-R72 PolarHBondContact O-N 2.84Å | ||
| 71 | L | 51 | Low | 57.7 | Low | 157 Ų | 157 | 129.4 Ų | 129.4 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | trans | -58.6 | 88.9 | 171 | -95.1 | 149.1 | 0 | 0 | 0 | 105.8 | P69 K73 | P69-L71 PolarHBondContact O-N 3.06Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 2.66Å | ||
| 72 | R | 55.9 | Low | 56.7 | Low | 236 Ų | 236 | 135.5 Ų | 135.5 | 89% | 0.891 | 70% | 0.7 | S | S | * | * | trans | -55.3 | 108.5 | 162.9 | -79 | -172.6 | 176.3 | 165.8 | -0.4 | 104 | R70 | R70-R72 PolarHBondContact O-N 2.84Š| ||
| 73 | K | 52.3 | Low | 55.5 | Low | 197 Ų | 197 | 133.9 Ų | 133.9 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 34.9 | 94 | 167.5 | -155.9 | 102.2 | 176.3 | -173.3 | 0 | 112.2 | L71 N75 | L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 PolarHBondContact O-N 2.66Å; K73-N75 PolarHBondContact O-N 3.32Å |
| 74 | A | 48.4 | Very low | 53.7 | Low | 70 Ų | 70 | 133.7 Ų | 133.7 | 58% | 0.579 | 70% | 0.701 | S | S | * | * | trans | -41.4 | 117.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | T76 | A74-T76 VanDerWaalsContact C-N 3.35Å; A74-T76 PolarHBondContact O-N 2.63Å | ||
| 75 | N | 48.3 | Very low | 53.4 | Low | 102 Ų | 102 | 136.1 Ų | 136.1 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | trans | -65.7 | 99.4 | 174.2 | -178.4 | 16.8 | 0 | 0 | 0 | 106.2 | K73 K77 | K73-N75 PolarHBondContact O-N 3.32Å; N75-K77 PolarHBondContact O-N 2.95Å; N75-K77 VanDerWaalsContact OD1-CB 3.31Å; N75-K77 WeakPolarHBondContact OD1-CB 3.4Å; N75-K77 VanDerWaalsContact OD1-CD 3.3Å; N75-K77 WeakPolarHBondContact OD1-CD 3.31Å; N75-K77 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 76 | T | 53.5 | Low | 52.8 | Low | 133 Ų | 133 | 140.8 Ų | 140.8 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 19.6 | 179.6 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | A74 | A74-T76 VanDerWaalsContact C-N 3.35Å; A74-T76 PolarHBondContact O-N 2.63Å |
| 77 | K | 58.8 | Low | 52.4 | Low | 164 Ų | 164 | 139.7 Ų | 139.7 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -18.3 | 179.9 | -70.5 | -178.9 | -178.4 | -174.8 | 0 | 113.4 | N75 | N75-K77 PolarHBondContact O-N 2.95Å; N75-K77 VanDerWaalsContact OD1-CB 3.31Å; N75-K77 WeakPolarHBondContact OD1-CB 3.4Å; N75-K77 VanDerWaalsContact OD1-CD 3.3Å; N75-K77 WeakPolarHBondContact OD1-CD 3.31Å; N75-K77 WeakPolarHBondContact OD1-CG 3.4Å |
| 78 | D | 48.5 | Very low | 51.5 | Low | 134 Ų | 134 | 139.2 Ų | 139.2 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -116.1 | 20.3 | -169.6 | -60.2 | -28.1 | 0 | 0 | 0 | 115.1 | ||
| 79 | V | 55.8 | Low | 51 | Low | 125 Ų | 125 | 142.3 Ų | 142.3 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | trans | -140.5 | 65.7 | 162 | -169.4 | 0 | 0 | 0 | 0 | 109.1 | V81 | V79-V81 HydrophobicContact CG1-CG2 3.96Å; V79-V81 PolarHBondContact O-N 2.93Å | ||
| 80 | A | 43.6 | Very low | 50.8 | Low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -81.2 | 91.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q82 | A80-Q82 VanDerWaalsContact C-N 3.27Å; A80-Q82 PolarHBondContact O-N 3.45Å | ||
| 81 | V | 58.8 | Low | 50.3 | Low | 113 Ų | 113 | 137.3 Ų | 137.3 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | -69.9 | 96.9 | 160.9 | 178.3 | 0 | 0 | 0 | 0 | 105.6 | V79 V83 | V79-V81 HydrophobicContact CG1-CG2 3.96Å; V79-V81 PolarHBondContact O-N 2.93Å; V81-V83 VanDerWaalsContact C-N 3.25Å; V81-V83 PolarHBondContact O-N 3.12Å | ||
| 82 | Q | 51.7 | Low | 49.8 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -69.3 | 88.8 | 171.3 | -177.5 | 176.1 | -25 | 0 | 0 | 108 | A80 N84 | A80-Q82 VanDerWaalsContact C-N 3.27Å; A80-Q82 PolarHBondContact O-N 3.45Å; Q82-N84 PolarHBondContact O-N 3.47Å | ||
| 83 | V | 50.7 | Low | 49.2 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -76.7 | 117.6 | 163.5 | -107.9 | 0 | 0 | 0 | 0 | 107.4 | V81 P85 | V81-V83 VanDerWaalsContact C-N 3.25Å; V81-V83 PolarHBondContact O-N 3.12Å; V83-P85 WeakPolarHBondContact O-CD 3.46Å | ||
| 84 | N | 40.7 | Very low | 49.3 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | trans | -69.2 | 115 | 178.9 | -153.1 | -7 | 0 | 0 | 0 | 107.7 | Q82 K86 K87 | Q82-N84 PolarHBondContact O-N 3.47Å; N84-K86 PolarHBondContact O-N 3.38Å; N84-K87 PolarHBondContact O-N 2.94Å | ||
| 85 | P | 55.1 | Low | 49.6 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 9.1 | -170.2 | 26.8 | -35 | 0 | 0 | 0 | 114.6 | V83 | V83-P85 WeakPolarHBondContact O-CD 3.46Š|
| 86 | K | 51.3 | Low | 49.6 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -3.8 | -176.9 | -67.5 | -168.9 | 174.9 | -175.6 | 0 | 114.5 | N84 | N84-K86 PolarHBondContact O-N 3.38Š|
| 87 | K | 51 | Low | 49.3 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -143.2 | 128.2 | 171.9 | -72.5 | -160.9 | 174.8 | -172.3 | 0 | 111.4 | N84 | N84-K87 PolarHBondContact O-N 2.94Š|
| 88 | D | 38.8 | Very low | 49 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | trans | 80.3 | 70.7 | 161.1 | -44.7 | -26.9 | 0 | 0 | 0 | 116.1 | S90 | D88-S90 PolarHBondContact O-N 3.01Š| ||
| 89 | A | 46.4 | Very low | 49.1 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 98% | 0.975 | 77% | 0.769 | S | S | * | * | trans | -68.6 | 33.8 | 160 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 90 | S | 51.9 | Low | 48.7 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -138.7 | 53.3 | 178.6 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | D88 | D88-S90 PolarHBondContact O-N 3.01Š| ||
| 91 | V | 43.5 | Very low | 48.6 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -112.6 | 79.6 | 150.2 | -172.1 | 0 | 0 | 0 | 0 | 106.4 | C93 | V91-C93 PolarHBondContact O-N 3.22Š| ||
| 92 | Q | 40.7 | Very low | 47.6 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -57.8 | 114.4 | 166.3 | -89.1 | 172.9 | -43.7 | 0 | 0 | 108.4 | ||||
| 93 | C | 43.3 | Very low | 47.1 | Very low | 102 Ų | 102 | 141 Ų | 141 | 69% | 0.689 | 79% | 0.794 | S | S | * | * | trans | -60.2 | 135.9 | 157.2 | -64.9 | 0 | 0 | 0 | 0 | 108.4 | V91 I95 | V91-C93 PolarHBondContact O-N 3.22Å; C93-I95 PolarHBondContact O-N 3.42Å | ||
| 94 | A | 54 | Low | 46.7 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 26 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 95 | I | 54.3 | Low | 46.9 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 2.6 | -173.4 | -58.3 | 173.6 | 0 | 0 | 0 | 111.8 | C93 | C93-I95 PolarHBondContact O-N 3.42Š|
| 96 | G | 49.7 | Very low | 46.3 | Very low | 51 Ų | 51 | 148.9 Ų | 148.9 | 53% | 0.526 | 80% | 0.798 | S | S | . | * | trans | 70 | 168.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R98 | G96-R98 PolarHBondContact O-N 3.43Š| ||
| 97 | P | 47.6 | Very low | 45.7 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | -76.8 | 90.2 | -173.4 | 31.1 | -33.9 | 0 | 0 | 0 | 110.7 | ||||
| 98 | R | 51 | Low | 45.6 | Very low | 223 Ų | 223 | 150.4 Ų | 150.4 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -105.4 | 107.6 | 164.9 | -76.8 | -172.3 | 175.1 | 169 | 0.2 | 110 | G96 L100 | G96-R98 PolarHBondContact O-N 3.43Å; R98-L100 PolarHBondContact O-N 2.97Å | ||
| 99 | T | 52.1 | Low | 45.8 | Very low | 135 Ų | 135 | 156 Ų | 156 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 121.8 | 169 | 45 | 0 | 0 | 0 | 0 | 110 | Q101 | T99-Q101 PolarHBondContact O-N 3.09Š|
| 100 | L | 45.4 | Very low | 45.2 | Very low | 167 Ų | 167 | 162.6 Ų | 162.6 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.8 | 172.8 | -69.1 | 171.1 | 0 | 0 | 0 | 109.7 | R98 T102 | R98-L100 PolarHBondContact O-N 2.97Å; L100-T102 PolarHBondContact O-N 3.18Å |
| 101 | Q | 41.9 | Very low | 44.4 | Very low | 192 Ų | 192 | 167 Ų | 167 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.1 | 176.6 | -66.4 | -179.9 | 1.1 | 0 | 0 | 110.2 | T99 M103 | T99-Q101 PolarHBondContact O-N 3.09Å; Q101-M103 PolarHBondContact O-N 3.35Å |
| 102 | T | 38.1 | Very low | 43.9 | Very low | 136 Ų | 136 | 171.1 Ų | 171.1 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -70.6 | 109.5 | 172.8 | 41.5 | 0 | 0 | 0 | 0 | 109.3 | L100 K104 | L100-T102 PolarHBondContact O-N 3.18Å; T102-K104 PolarHBondContact O-N 3.08Å | ||
| 103 | M | 42.4 | Very low | 43.6 | Very low | 191 Ų | 191 | 170.7 Ų | 170.7 | 94% | 0.941 | 83% | 0.826 | S | S | * | * | trans | -65.1 | 108.8 | 169.3 | -89.9 | -146.9 | 166.9 | 0 | 0 | 109.7 | Q101 R105 | Q101-M103 PolarHBondContact O-N 3.35Å; M103-R105 PolarHBondContact O-N 3.43Å | ||
| 104 | K | 41.5 | Very low | 43.2 | Very low | 172 Ų | 172 | 173.6 Ų | 173.6 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -53.8 | 122.4 | 167.7 | -103.6 | 178.2 | 164.2 | -168 | 0 | 110.2 | T102 D106 | T102-K104 PolarHBondContact O-N 3.08Å; K104-D106 WeakPolarHBondContact CD-OD2 3.41Å; K104-D106 PolarHBondContact O-N 3.4Å | ||
| 105 | R | 44.7 | Very low | 42.7 | Very low | 238 Ų | 238 | 174.2 Ų | 174.2 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -79.6 | 64.6 | 175.3 | -159 | 177.4 | -170.4 | 152.3 | -0.1 | 109.5 | M103 | M103-R105 PolarHBondContact O-N 3.43Š| ||
| 106 | D | 41.8 | Very low | 41.7 | Very low | 112 Ų | 112 | 172.1 Ų | 172.1 | 60% | 0.599 | 83% | 0.827 | S | S | * | * | trans | -113.4 | 18.9 | -178.2 | -73.6 | -32 | 0 | 0 | 0 | 113.9 | K104 | K104-D106 WeakPolarHBondContact CD-OD2 3.41Å; K104-D106 PolarHBondContact O-N 3.4Å | ||
| 107 | F | 39.9 | Very low | 40.8 | Very low | 202 Ų | 202 | 176.3 Ų | 176.3 | 89% | 0.886 | 84% | 0.843 | S | S | * | * | trans | -110.6 | 28.8 | 179.4 | -82.6 | -77.6 | 0 | 0 | 0 | 115.5 | ||||
| 108 | Q | 48.2 | Very low | 40.6 | Very low | 185 Ų | 185 | 175.7 Ų | 175.7 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -122.6 | 62.6 | 167.2 | -78.8 | -165.7 | -18.4 | 0 | 0 | 112.3 | ||
| 109 | R | 42.8 | Very low | 39.6 | Very low | 244 Ų | 244 | 171.2 Ų | 171.2 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -164 | 63.3 | 153 | -123.6 | 179.6 | -167.7 | -177.7 | 4.5 | 112.5 | ||||
| 110 | R | 35.2 | Very low | 38.9 | Very low | 258 Ų | 258 | 170.2 Ų | 170.2 | 97% | 0.974 | 84% | 0.841 | S | S | * | * | trans | -101.2 | 90.2 | 154.3 | -110.2 | -167.4 | 175.3 | -156 | -0.2 | 108.7 | ||||
| 111 | K | 34.8 | Very low | 39.2 | Very low | 185 Ų | 185 | 167.6 Ų | 167.6 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 125.7 | 168.3 | -175.9 | 177.9 | -178.6 | -177.2 | 0 | 108.2 | Q113 | K111-Q113 PolarHBondContact O-N 2.83Š|
| 112 | R | 32.1 | Very low | 38.9 | Very low | 220 Ų | 220 | 168.6 Ų | 168.6 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 118.1 | 167.8 | -169.1 | 175.4 | -170.4 | -117.8 | 0.1 | 107.8 | ||
| 113 | Q | 34.9 | Very low | 39 | Very low | 180 Ų | 180 | 166.2 Ų | 166.2 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 134.1 | 167.9 | -84 | 178.8 | -14.1 | 0 | 0 | 108.1 | K111 | K111-Q113 PolarHBondContact O-N 2.83Š|
| 114 | E | 34.5 | Very low | 38.8 | Very low | 163 Ų | 163 | 164.5 Ų | 164.5 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -117.9 | 159.4 | 160.8 | -103.6 | -147.6 | 157.2 | 0 | 0 | 109.1 | ||||
| 115 | P | 43.2 | Very low | 38.6 | Very low | 126 Ų | 126 | 160 Ų | 160 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -88.3 | 173.9 | -153.7 | 35.5 | -34.4 | 0 | 0 | 0 | 115.5 | ||||
| 116 | A | 33.8 | Very low | 38.3 | Very low | 95 Ų | 95 | 152.2 Ų | 152.2 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -88.7 | 164.2 | -151.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 117 | T | 31.7 | Very low | 38.2 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 86% | 0.859 | 84% | 0.841 | S | S | * | * | trans | -141.2 | 154.4 | 143.2 | 48.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 118 | P | 43.1 | Very low | 38.5 | Very low | 125 Ų | 125 | 155.4 Ų | 155.4 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | trans | -111.2 | 144.8 | -156.4 | 37.4 | -26.1 | 0 | 0 | 0 | 114.7 | ||||
| 119 | S | 28.5 | Very low | 38.1 | Very low | 129 Ų | 129 | 157.3 Ų | 157.3 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | trans | -175 | 158.2 | 139.6 | -165.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 120 | S | 38 | Very low | 38.6 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -87.2 | 178.9 | -153.9 | -103.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 121 | P | 52 | Low | 39 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -113.2 | 169 | -142.8 | 42.6 | -35.9 | 0 | 0 | 0 | 116.4 | ||||
| 122 | K | 36.3 | Very low | 39.7 | Very low | 212 Ų | 212 | 145 Ų | 145 | 92% | 0.922 | 82% | 0.815 | S | S | * | * | -173.4 | 144.1 | 126 | -111.3 | 169.1 | -179.7 | 174.2 | 0 | 114 | |||||
| 123 | A | 39.9 | Very low | 40.5 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | trans | -83.3 | 163.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 124 | T | 37.2 | Very low | 41.3 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 95% | 0.945 | 81% | 0.813 | S | S | * | * | trans | 161.9 | 137.2 | 139.1 | 37.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 125 | G | 37.2 | Very low | 41.8 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | cis | 173.4 | 159.5 | 0.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 126 | G | 38.4 | Very low | 41.5 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 77.3 | 146.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 127 | V | 40.2 | Very low | 41.9 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 92% | 0.915 | 82% | 0.815 | S | S | * | * | cis | -156.7 | 157.2 | 9.9 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 128 | R | 46 | Very low | 42.9 | Very low | 229 Ų | 229 | 139.5 Ų | 139.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -84.2 | 144.1 | -172.6 | -59.3 | 178.6 | -179 | -179.7 | 0.6 | 113.8 | ||||
| 129 | Y | 41 | Very low | 42.8 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -6.1 | 164.5 | 145.4 | -67.9 | -87.6 | 0 | 0 | 0 | 119.5 | ||||
| 130 | P | 53.3 | Low | 43.4 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | -157.4 | 178.4 | 35.2 | 40 | -16.4 | 0 | 0 | 0 | 120.1 | ||||
| 131 | R | 44 | Very low | 43.9 | Very low | 224 Ų | 224 | 144.9 Ų | 144.9 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 69.3 | 151.2 | 147 | -95.8 | 178.7 | 165.1 | 111.8 | -1.6 | 117.6 | ||||
| 132 | T | 49.3 | Very low | 43.7 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | cis | -173.2 | 160.3 | 24.2 | 4.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 133 | L | 47.3 | Very low | 44 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | 78.7 | 128.9 | 140.2 | -68.9 | 163.6 | 0 | 0 | 0 | 121.9 | ||||
| 134 | A | 52.7 | Low | 44.3 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -76.2 | 149.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 135 | V | 44 | Very low | 44.4 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | trans | -132.6 | 125.4 | 158.3 | -180 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 136 | Y | 38.3 | Very low | 44.4 | Very low | 211 Ų | 211 | 146.9 Ų | 146.9 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -95 | 163.3 | 177.3 | -163.2 | -107.8 | 0 | 0 | 0 | 109.8 | ||||
| 137 | S | 42.2 | Very low | 44.5 | Very low | 96 Ų | 96 | 152.8 Ų | 152.8 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | 93.4 | 164.9 | 149.8 | 83.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 138 | P | 51.7 | Low | 44.4 | Very low | 94 Ų | 94 | 153.1 Ų | 153.1 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | -146.2 | 174.3 | -54.8 | 41 | -23.6 | 0 | 0 | 0 | 113.7 | |||||
| 139 | I | 41.5 | Very low | 43.8 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | 62.2 | 127 | 148.3 | -61.6 | 151.4 | 0 | 0 | 0 | 120 | ||||
| 140 | A | 41.5 | Very low | 43.4 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | 164.9 | 119.8 | 112.1 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 141 | Y | 48.3 | Very low | 42.7 | Very low | 229 Ų | 229 | 147.2 Ų | 147.2 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -76.3 | 140.3 | 160.3 | -102.5 | -100.7 | 0 | 0 | 0 | 110.7 | ||||
| 142 | R | 47.4 | Very low | 42.2 | Very low | 232 Ų | 232 | 143.3 Ų | 143.3 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -164.5 | 112.7 | 150.5 | -76.7 | -148.6 | 156.2 | -178.5 | -9.8 | 110.1 | ||||
| 143 | S | 42.4 | Very low | 41.4 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 69.3 | 138 | 105.1 | 79.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 144 | V | 45.9 | Very low | 40.7 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | cis | -165.2 | 157.2 | 39.7 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 145 | T | 40.9 | Very low | 39.8 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -76.9 | 173.7 | 167.9 | 45 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 146 | S | 37 | Very low | 39.1 | Very low | 97 Ų | 97 | 145.9 Ų | 145.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 87.9 | 110.3 | 149.5 | 48.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 147 | F | 40.3 | Very low | 38.9 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | 43.3 | 128 | 130.1 | -61.7 | -79.6 | 0 | 0 | 0 | 122.5 | ||||
| 148 | L | 36.8 | Very low | 38.5 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -165.8 | 119.9 | 135.1 | -84.9 | -171.1 | 0 | 0 | 0 | 107.6 | ||||
| 149 | V | 33.8 | Very low | 37.4 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | 80.3 | 114.2 | 77.5 | 168.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 150 | D | 33.1 | Very low | 36.9 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | 169.6 | 146.1 | 110 | -101.6 | -37.4 | 0 | 0 | 0 | 114.2 | |||||
| 151 | E | 37.4 | Very low | 36.3 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -68.2 | 153.1 | 176.8 | -63.2 | 172.5 | 103.5 | 0 | 0 | 112.5 | ||||
| 152 | N | 33.8 | Very low | 35.2 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | 158.6 | 138.7 | 103.5 | -145.6 | -2.7 | 0 | 0 | 0 | 113.8 | |||||
| 153 | N | 32.3 | Very low | 34.1 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | trans | 76.9 | 106.3 | 147.9 | -114.6 | -6.4 | 0 | 0 | 0 | 121 | ||||
| 154 | N | 32.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | 148.7 | 138.3 | 73.2 | -141.1 | -15.1 | 0 | 0 | 0 | 112 | |||||
| 155 | K | 34 | Very low | 32.3 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 74% | 0.735 | 75% | 0.75 | S | S | * | * | trans | 69.1 | 123.9 | 161.9 | -65.9 | 177.9 | 179.9 | 176.5 | 0 | 118 | ||||
| 156 | D | 30.7 | Very low | 31.5 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | cis | -142.5 | 138.8 | 12.5 | -77.2 | -49.2 | 0 | 0 | 0 | 111.4 | ||||
| 157 | A | 32.9 | Very low | 31.2 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -51.3 | 165.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 158 | S | 34.1 | Very low | 30.7 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | 179 | 178.2 | -2.3 | 59.7 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 159 | S | 29 | Very low | 30.2 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | cis | -176.3 | 139.2 | 5.2 | 21.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 160 | E | 29.8 | Very low | 30.2 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | 57.9 | 109.8 | 129.3 | -58 | -179.9 | 165.3 | 0 | 0 | 118.8 | |||||
| 161 | A | 29 | Very low | 30.5 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | 82.1 | 110.5 | 87.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 162 | T | 25.6 | Very low | 30.1 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | -179.8 | 156.7 | 117 | 20.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 163 | T | 25.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | trans | -37.2 | 162.5 | 172.3 | 14.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 164 | T | 23.7 | Very low | 29.7 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 86.2 | 124.1 | 143.3 | 44.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 165 | V | 26.6 | Very low | 29.5 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | 91 | 117.1 | 128.2 | 167.7 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 166 | E | 24.4 | Very low | 29.3 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 69.4 | 118.4 | 141.4 | -55.6 | -80.1 | 120.2 | 0 | 0 | 119.4 | ||||
| 167 | L | 30.3 | Very low | 29.1 | Very low | 131 Ų | 131 | 120.3 Ų | 120.3 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | 75.6 | 123.9 | 81.4 | -111.4 | 161.5 | 0 | 0 | 0 | 113.7 | |||||
| 168 | H | 30.1 | Very low | 28.7 | Very low | 187 Ų | 187 | 122.4 Ų | 122.4 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | 153.1 | 140.6 | 141.5 | -88.7 | -66.4 | 0 | 0 | 0 | 110.6 | ||||
| 169 | G | 25.9 | Very low | 28.3 | Very low | 64 Ų | 64 | 122.3 Ų | 122.3 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | cis | -175.5 | 157.5 | 7.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 170 | D | 33.1 | Very low | 28.3 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -44.1 | 171.4 | 154.5 | -129.2 | -69.7 | 0 | 0 | 0 | 113.9 | G172 | D170-G172 PolarHBondContact OD1-N 3.01Š| ||
| 171 | P | 40.1 | Very low | 28.2 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | -139.4 | 142.5 | 86.7 | 31.2 | -12.9 | 0 | 0 | 0 | 113.6 | |||||
| 172 | G | 29 | Very low | 28.1 | Very low | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | 84.6 | 140.7 | 77.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | D170 | D170-G172 PolarHBondContact OD1-N 3.01Š| |||
| 173 | E | 29.6 | Very low | 28.2 | Very low | 191 Ų | 191 | 122.1 Ų | 122.1 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | cis | 177.3 | 164.8 | 24.9 | -147.9 | 168.7 | 155.5 | 0 | 0 | 104.2 | ||||
| 174 | G | 27.3 | Very low | 28.4 | Very low | 53 Ų | 53 | 123.6 Ų | 123.6 | 55% | 0.546 | 74% | 0.742 | S | S | . | * | cis | -166.8 | 160.7 | 17.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 175 | T | 30 | Very low | 28.6 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | 79.5 | 134 | 99.7 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 176 | E | 28.3 | Very low | 28.7 | Very low | 184 Ų | 184 | 120.6 Ų | 120.6 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | cis | -175 | 153.7 | 13.7 | -110.6 | 170.3 | -173.8 | 0 | 0 | 109.3 | ||||
| 177 | G | 26.3 | Very low | 29 | Very low | 67 Ų | 67 | 122.3 Ų | 122.3 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | 80.1 | 156.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 178 | T | 25.1 | Very low | 28.9 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | cis | 177.8 | 158.3 | -6.4 | 15.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 179 | A | 26.8 | Very low | 28.8 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | trans | 74.1 | 156.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 180 | A | 27.6 | Very low | 28.9 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | cis | 177.1 | 156.5 | -24.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 181 | A | 28.8 | Very low | 28.7 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | 71.5 | 119.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 182 | E | 27.3 | Very low | 28.1 | Very low | 176 Ų | 176 | 117.5 Ų | 117.5 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | 81.8 | 145.5 | 95.7 | -71.2 | 176 | -176.1 | 0 | 0 | 111.2 | |||||
| 183 | E | 27.1 | Very low | 28.1 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | cis | -165.3 | 168.7 | -0.6 | -118.6 | -164.2 | 175.3 | 0 | 0 | 107.3 | ||||
| 184 | E | 29.4 | Very low | 27.9 | Very low | 147 Ų | 147 | 120.4 Ų | 120.4 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | 19.4 | 153.7 | 141.9 | -54.3 | -162.3 | 153.6 | 0 | 0 | 121.2 | ||||
| 185 | N | 27.8 | Very low | 27.8 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | cis | -177.6 | 164.9 | 40.2 | -139.8 | -36.2 | 0 | 0 | 0 | 105 | ||||
| 186 | G | 27.5 | Very low | 27.6 | Very low | 55 Ų | 55 | 126.6 Ų | 126.6 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | cis | -171.3 | 154.7 | 10.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 187 | E | 31.3 | Very low | 27.6 | Very low | 187 Ų | 187 | 122.8 Ų | 122.8 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | 63.6 | 139.5 | 97 | -77.1 | -172.8 | 133.4 | 0 | 0 | 113.7 | |||||
| 188 | A | 28.3 | Very low | 28 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | cis | -158.2 | 174.4 | 13.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 189 | G | 27.8 | Very low | 28.3 | Very low | 58 Ų | 58 | 126.8 Ų | 126.8 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | cis | -162 | 162.1 | 13.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 190 | E | 28.4 | Very low | 28.5 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | 67.6 | 119.4 | 96.4 | -82.8 | -163.2 | 155.6 | 0 | 0 | 110.7 | |||||
| 191 | D | 28.9 | Very low | 28.7 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | cis | -161.7 | 146.8 | 29.7 | -60.3 | -57 | 0 | 0 | 0 | 107 | ||||
| 192 | G | 27.1 | Very low | 28.7 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | 109.7 | 123.3 | 68.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 193 | K | 28.7 | Very low | 29.1 | Very low | 194 Ų | 194 | 133 Ų | 133 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 99.1 | 107.8 | 143.2 | -136.7 | 124 | 177.8 | -173.7 | 0 | 120.1 | ||||
| 194 | T | 25.5 | Very low | 29.1 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 66.1 | 109.5 | 134.1 | 41.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 195 | A | 26.8 | Very low | 29.1 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 65.7 | 133 | 111.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 196 | K | 25.1 | Very low | 29.2 | Very low | 203 Ų | 203 | 140 Ų | 140 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | 100.1 | 98.5 | 146.8 | -130.9 | 171.7 | -177.6 | 179.2 | 0 | 116.6 | ||||
| 197 | S | 27.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -36.4 | 146.1 | 143.3 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 198 | P | 35.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | -150.8 | 172.4 | 58.9 | 35.6 | -11.7 | 0 | 0 | 0 | 118.2 | |||||
| 199 | E | 30.5 | Very low | 30 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -49.1 | 157.8 | 159.2 | -71.8 | -168.6 | 117.8 | 0 | 0 | 111.8 | ||||
| 200 | P | 31.7 | Very low | 30.1 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | -142.6 | 145.7 | 101.2 | 32.1 | -15 | 0 | 0 | 0 | 114.9 | |||||
| 201 | S | 30.8 | Very low | 30.1 | Very low | 91 Ų | 91 | 151.4 Ų | 151.4 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -40.7 | 144.6 | 153.4 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 202 | H | 29.3 | Very low | 30.1 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -161.2 | 131.2 | 135 | -113.5 | -84.7 | 0 | 0 | 0 | 112.8 | ||||
| 203 | K | 35.2 | Very low | 30.4 | Very low | 190 Ų | 190 | 153.7 Ų | 153.7 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -75.7 | 143 | 175.3 | -63.2 | 164.3 | 177.3 | 168.8 | 0 | 110.4 | ||||
| 204 | F | 28.6 | Very low | 30.6 | Very low | 206 Ų | 206 | 153 Ų | 153 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -144.7 | 128.8 | 146.9 | -90.8 | -78.7 | 0 | 0 | 0 | 111.7 | ||||
| 205 | K | 28.1 | Very low | 31.2 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -80.9 | 146.9 | 168.1 | -71.6 | 172.1 | 171 | 177.8 | 0 | 108.8 | ||||
| 206 | L | 30 | Very low | 32.3 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | 158.8 | 127.5 | 117.1 | -81.2 | 163.7 | 0 | 0 | 0 | 110.9 | |||||
| 207 | Q | 34.2 | Very low | 32.8 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -63.4 | -179.5 | 161.2 | -69.6 | 179.6 | -12.6 | 0 | 0 | 110.3 | ||||
| 208 | P | 38.6 | Very low | 33.6 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | cis | -145.7 | 168.7 | 16.9 | 39.4 | -18.3 | 0 | 0 | 0 | 116.7 | ||||
| 209 | Q | 31 | Very low | 33.7 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | trans | -136.6 | 132.7 | 151.3 | -74.4 | -163.6 | 5.7 | 0 | 0 | 111.3 | ||||
| 210 | V | 29.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -102.5 | 144.1 | -178.6 | 174.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 211 | K | 29.6 | Very low | 34.6 | Very low | 199 Ų | 199 | 150.9 Ų | 150.9 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | 151.2 | 131.1 | 124.4 | -163.1 | 169 | -172.2 | -178.9 | 0 | 112.3 | |||||
| 212 | G | 28.6 | Very low | 35.3 | Very low | 78 Ų | 78 | 151.8 Ų | 151.8 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 157.1 | 74.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 213 | E | 33.3 | Very low | 36.1 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -67.2 | 142 | 173.4 | -80.6 | 173.1 | 99 | 0 | 0 | 113.5 | ||||
| 214 | L | 33.2 | Very low | 36.3 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | -162.8 | 114.8 | 131.4 | -110.9 | 129.1 | 0 | 0 | 0 | 108.4 | ||||
| 215 | A | 38.5 | Very low | 37.4 | Very low | 89 Ų | 89 | 147 Ų | 147 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -94 | -175.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 216 | P | 49 | Very low | 38.6 | Very low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | -123.2 | -171.3 | -50.7 | 31.3 | -12.2 | 0 | 0 | 0 | 111 | |||||
| 217 | P | 35.6 | Very low | 40 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | -133.2 | 142.4 | 111.2 | 36.1 | -26.8 | 0 | 0 | 0 | 113.7 | A219 | P217-A219 PolarHBondContact O-N 3.43Š| |||
| 218 | V | 44.9 | Very low | 41.2 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | trans | -59 | 117.1 | 179.7 | -174 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 219 | A | 37.7 | Very low | 42 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -104.7 | 95.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | P217 E221 | P217-A219 PolarHBondContact O-N 3.43Å; A219-E221 PolarHBondContact O-N 2.06Å | ||
| 220 | E | 37.8 | Very low | 43.4 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -28.5 | 110.6 | 167.6 | -72.9 | -74.2 | 140.8 | 0 | 0 | 113.3 | S222 | E220-S222 PolarHBondContact O-N 2.69Š| ||
| 221 | E | 43.5 | Very low | 45.3 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -66.4 | 81.5 | 163.4 | -82.4 | -174.4 | 142.6 | 0 | 0 | 109.5 | A219 K223 | A219-E221 PolarHBondContact O-N 2.06Å; E221-K223 PolarHBondContact O-N 3.3Å; E221-K223 VanDerWaalsContact O-N 3.15Å | ||
| 222 | S | 45.2 | Very low | 47.5 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -68.9 | 110.6 | 158.9 | 56.8 | 0 | 0 | 0 | 0 | 108 | E220 G224 | E220-S222 PolarHBondContact O-N 2.69Å; S222-G224 PolarHBondContact O-N 3.2Å | ||
| 223 | K | 45.9 | Very low | 50.2 | Low | 215 Ų | 215 | 131 Ų | 131 | 94% | 0.935 | 70% | 0.7 | S | S | * | * | trans | -55.5 | 80.4 | 168.9 | -71.3 | 177.1 | 178.2 | 174.4 | 0 | 110 | E221 | E221-K223 PolarHBondContact O-N 3.3Å; E221-K223 VanDerWaalsContact O-N 3.15Å | ||
| 224 | G | 39.1 | Very low | 52.6 | Low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | trans | -83.7 | 112.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S222 A226 | S222-G224 PolarHBondContact O-N 3.2Å; G224-A226 PolarHBondContact O-N 3.08Å | ||
| 225 | K | 52.1 | Low | 55.2 | Low | 195 Ų | 195 | 118.7 Ų | 118.7 | 85% | 0.848 | 64% | 0.638 | S | S | * | * | trans | -21.9 | 124 | 159.1 | -61.3 | 169.7 | -179.5 | 178.4 | 0 | 109.7 | R227 | K225-R227 WeakPolarHBondContact O-CA 3.5Å; K225-R227 PolarHBondContact O-N 2.81Å | ||
| 226 | A | 53.8 | Low | 57.6 | Low | 104 Ų | 104 | 115 Ų | 115 | 86% | 0.86 | 61% | 0.606 | S | S | * | * | trans | -45.5 | 88.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G224 V228 | G224-A226 PolarHBondContact O-N 3.08Å; A226-V228 PolarHBondContact O-N 3.05Å; A226-V228 VanDerWaalsContact O-N 3.08Å | ||
| 227 | R | 59.4 | Low | 59.5 | Low | 223 Ų | 223 | 110.9 Ų | 110.9 | 84% | 0.842 | 58% | 0.576 | S | S | * | * | trans | -75.8 | 108.4 | -178.9 | -171.4 | 177.2 | -177.7 | 179.3 | 0.7 | 102.4 | K225 R229 | K225-R227 WeakPolarHBondContact O-CA 3.5Å; K225-R227 PolarHBondContact O-N 2.81Å; R227-R229 PolarHBondContact O-N 3.04Å | ||
| 228 | V | 58.6 | Low | 62.1 | Low | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | trans | -40.9 | 108.4 | 173.3 | 179.4 | 0 | 0 | 0 | 0 | 106.6 | A226 F230 | A226-V228 PolarHBondContact O-N 3.05Å; A226-V228 VanDerWaalsContact O-N 3.08Å; V228-F230 HydrophobicContact CB-CD2 4.44Å; V228-F230 HydrophobicContact CB-CE1 4.41Å; V228-F230 HydrophobicContact CB-CE2 3.99Å; V228-F230 HydrophobicContact CB-CZ 3.97Å; V228-F230 HydrophobicContact CG1-CD1 4.01Å; V228-F230 HydrophobicContact CG1-CD2 4.39Å; V228-F230 HydrophobicContact CG1-CE1 3.75Å; V228-F230 HydrophobicContact CG1-CE2 4.15Å; V228-F230 HydrophobicContact CG1-CG 4.33Å; V228-F230 HydrophobicContact CG1-CZ 3.82Å; V228-F230 VanDerWaalsContact O-CD2 3.24Å; V228-F230 WeakPolarHBondContact O-CD2 3.32Å; V228-F230 PolarHBondContact O-N 2.95Å | ||
| 229 | R | 56.6 | Low | 64.4 | Low | 229 Ų | 229 | 100 Ų | 100 | 86% | 0.864 | 51% | 0.506 | S | S | * | . | trans | -75.9 | 83.9 | 179.7 | -77.3 | -170.6 | 172.1 | -172.6 | -1.1 | 105.3 | R227 Q231 I333 | R227-R229 PolarHBondContact O-N 3.04Å; R229-Q231 PolarHBondContact O-N 3.14Å; R229-I333 VanDerWaalsContact O-CD1 3.28Å; R229-I333 WeakPolarHBondContact O-CD1 3.47Å | ||
| 230 | F | 58.6 | Low | 67.1 | Low | 113 Ų | 113 | 95.5 Ų | 95.5 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | trans | -57 | 106 | 172.3 | -64.7 | -74.9 | 0 | 0 | 0 | 107.7 | V228 F232 | V228-F230 HydrophobicContact CB-CD2 4.44Å; V228-F230 HydrophobicContact CB-CE1 4.41Å; V228-F230 HydrophobicContact CB-CE2 3.99Å; V228-F230 HydrophobicContact CB-CZ 3.97Å; V228-F230 HydrophobicContact CG1-CD1 4.01Å; V228-F230 HydrophobicContact CG1-CD2 4.39Å; V228-F230 HydrophobicContact CG1-CE1 3.75Å; V228-F230 HydrophobicContact CG1-CE2 4.15Å; V228-F230 HydrophobicContact CG1-CG 4.33Å; V228-F230 HydrophobicContact CG1-CZ 3.82Å; V228-F230 VanDerWaalsContact O-CD2 3.24Å; V228-F230 WeakPolarHBondContact O-CD2 3.32Å; V228-F230 PolarHBondContact O-N 2.95Å; F230-F232 HydrophobicContact CB-CD2 4.14Å; F230-F232 HydrophobicContact CB-CE1 4.14Å; F230-F232 HydrophobicContact CB-CE2 3.51Å; F230-F232 HydrophobicContact CB-CZ 3.5Å; F230-F232 HydrophobicContact CG-CZ 4.22Å; F230-F232 WeakPolarHBondContact O-CD2 3.38Å; F230-F232 WeakPolarHBondContact O-CE2 3.35Å; F230-F232 PolarHBondContact O-N 2.79Å; F230-F232 VanDerWaalsContact O-N 3.13Å | ||
| 231 | Q | 70.4 | Confident | 69.8 | Low | 100 Ų | 100 | 90.6 Ų | 90.6 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | trans | -81.9 | 91.4 | 172.7 | -166.1 | 128.8 | 56.5 | 0 | 0 | 107.3 | R229 V257 I333 | R229-Q231 PolarHBondContact O-N 3.14Å; Q231-V257 HydrophobicContact CG-CB 4.49Å; Q231-V257 HydrophobicContact CG-CG1 3.42Å; Q231-V257 VanDerWaalsContact CG-CG1 3.42Å; Q231-I333 HydrophobicContact CB-CD1 3.66Å | ||
| 232 | F | 75.1 | Confident | 72.2 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 28% | 0.281 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 146 | 177.9 | -60.7 | -84.1 | 0 | 0 | 0 | 109.9 | F230 Q258 F328 F330 | F230-F232 HydrophobicContact CB-CD2 4.14Å; F230-F232 HydrophobicContact CB-CE1 4.14Å; F230-F232 HydrophobicContact CB-CE2 3.51Å; F230-F232 HydrophobicContact CB-CZ 3.5Å; F230-F232 HydrophobicContact CG-CZ 4.22Å; F230-F232 WeakPolarHBondContact O-CD2 3.38Å; F230-F232 WeakPolarHBondContact O-CE2 3.35Å; F230-F232 PolarHBondContact O-N 2.79Å; F230-F232 VanDerWaalsContact O-N 3.13Å; F232-Q258 HydrophobicContact CB-CB 4.23Å; F232-Q258 VanDerWaalsContact CD2-OE1 3.29Å; F232-Q258 WeakPolarHBondContact O-CB 3.3Å; F232-Q258 PolarHBondContact O-N 3.38Å; F232-F328 HydrophobicContact CD1-CD1 4.2Å; F232-F328 HydrophobicContact CD1-CE1 4.24Å; F232-F328 HydrophobicContact CE1-CD1 4.23Å; F232-F328 HydrophobicContact CE1-CE1 4.2Å; F232-F330 HydrophobicContact CE1-CE1 4.16Å |
| 233 | L | 85.7 | Confident | 74.5 | Confident | 11 Ų | 11 | 86.4 Ų | 86.4 | 6% | 0.058 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.5 | 167.7 | -85.2 | 63.3 | 0 | 0 | 0 | 107.8 | W255 C256 Y264 F265 K331 | L233-W255 HydrophobicContact CB-CB 4.35Å; L233-W255 HydrophobicContact CB-CE3 4.03Å; L233-W255 HydrophobicContact CD2-CB 3.92Å; L233-W255 HydrophobicContact CG-CB 4.49Å; L233-C256 CarbonylContact C-O 3.56Å; L233-C256 WeakPolarHBondContact CA-O 3.31Å; L233-Y264 HydrophobicContact CD2-CD1 3.66Å; L233-Y264 HydrophobicContact CD2-CG 3.81Å; L233-F265 HydrophobicContact CD2-CD2 4.16Å; L233-F265 HydrophobicContact CD2-CE2 3.68Å; L233-K331 HydrophobicContact CD1-CB 3.91Å; L233-K331 HydrophobicContact CD1-CD 4.1Å |
| 234 | E | 84.7 | Confident | 76.7 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.7 | 176.9 | -175.3 | 170.6 | -165.6 | 0 | 0 | 109.7 | K236 W255 C256 | E234-K236 HydrophobicContact CG-CG 4.43Å; E234-W255 WeakPolarHBondContact O-CA 3.12Å; E234-C256 PolarHBondContact N-O 2.68Å; E234-C256 PolarHBondContact O-N 2.99Å |
| 235 | Q | 86.1 | Confident | 79.3 | Confident | 27 Ų | 27 | 79.9 Ų | 79.9 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.9 | 175 | -165.2 | -179.6 | 22.3 | 0 | 0 | 109.3 | A252 Y253 V254 W255 I284 | Q235-A252 WeakPolarHBondContact CG-O 3.41Å; Q235-A252 PolarHBondContact NE2-O 3.01Å; Q235-Y253 VanDerWaalsContact NE2-CD1 3.34Å; Q235-V254 CarbonylContact C-O 3.44Å; Q235-V254 WeakPolarHBondContact CA-O 3.4Å; Q235-W255 HydrophobicContact CB-CE3 4.22Å; Q235-W255 HydrophobicContact CB-CH2 3.94Å; Q235-W255 HydrophobicContact CB-CZ2 4.41Å; Q235-W255 HydrophobicContact CB-CZ3 3.84Å; Q235-W255 HydrophobicContact CG-CH2 4.19Å; Q235-W255 HydrophobicContact CG-CZ2 4.19Å; Q235-W255 HydrophobicContact CG-CZ3 4.48Å; Q235-I284 HydrophobicContact CB-CD1 4.26Å; Q235-I284 HydrophobicContact CG-CD1 3.76Å |
| 236 | K | 88.8 | Confident | 81.3 | Confident | 13 Ų | 13 | 76.5 Ų | 76.5 | 6% | 0.057 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 160 | 179.9 | -66 | -156 | 176.5 | -145.7 | 0 | 110.9 | E234 A252 V254 C256 N261 V281 E282 D283 | E234-K236 HydrophobicContact CG-CG 4.43Å; K236-A252 CarbonylContact O-C 3.42Å; K236-V254 PolarHBondContact N-O 3.48Å; K236-V254 VanDerWaalsContact O-CB 3.32Å; K236-V254 WeakPolarHBondContact O-CB 3.42Å; K236-V254 PolarHBondContact O-N 3.48Å; K236-C256 HydrophobicContact CD-CB 4.1Å; K236-C256 HydrophobicContact CG-CB 4.28Å; K236-N261 PolarHBondContact NZ-OD1 2.77Å; K236-V281 HydrophobicContact CB-CG1 3.58Å; K236-V281 HydrophobicContact CD-CG1 3.57Å; K236-V281 HydrophobicContact CG-CG1 4.18Å; K236-E282 WeakPolarHBondContact CB-O 3.5Å; K236-D283 WeakPolarHBondContact CD-OD1 3.32Å; K236-D283 WeakPolarHBondContact CE-OD1 3.38Å; K236-D283 IonicContact NZ-OD1 2.7Å; K236-D283 PolarHBondContact NZ-OD1 3.08Å |
| 237 | Y | 89.1 | Confident | 83.1 | Confident | 19 Ų | 19 | 74 Ų | 74 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 136.9 | 168.8 | -158.2 | -101.1 | 0 | 0 | 0 | 109.3 | Y239 E250 A252 V281 E282 | Y237-Y239 HydrophobicContact CD1-CD2 4.38Å; Y237-Y239 AromaticContact CD1-CE2 3.73Å; Y237-Y239 HydrophobicContact CD1-CE2 3.73Å; Y237-Y239 AromaticContact CD1-CZ 3.87Å; Y237-Y239 HydrophobicContact CE1-CE1 4.12Å; Y237-Y239 AromaticContact CE1-CE2 3.99Å; Y237-Y239 HydrophobicContact CE1-CE2 3.99Å; Y237-Y239 AromaticContact CE1-CZ 3.67Å; Y237-E250 HydrophobicContact CE1-CB 3.83Å; Y237-E250 HydrophobicContact CE1-CG 4.33Å; Y237-E250 VanDerWaalsContact CE1-OE2 3.31Å; Y237-E250 WeakPolarHBondContact CE1-OE2 3.41Å; Y237-E250 VanDerWaalsContact CZ-OE2 3.32Å; Y237-E250 VanDerWaalsContact OH-CB 3.23Å; Y237-E250 WeakPolarHBondContact OH-CB 3.42Å; Y237-E250 PolarHBondContact OH-OE2 3.24Å; Y237-A252 HydrophobicContact CD2-CB 3.93Å; Y237-A252 HydrophobicContact CE2-CB 4.29Å; Y237-V281 CarbonylContact O-C 3.54Å; Y237-V281 WeakPolarHBondContact O-CA 3.45Å; Y237-E282 WeakPolarHBondContact CA-O 3.29Å; Y237-E282 PolarHBondContact N-O 3.48Å; Y237-E282 PolarHBondContact O-N 3.06Å |
| 238 | G | 91.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E250 S251 R280 | G238-E250 WeakPolarHBondContact O-CA 3.44Å; G238-S251 PolarHBondContact N-O 3.48Å; G238-S251 PolarHBondContact O-N 3.03Å; G238-R280 WeakPolarHBondContact CA-O 3.13Å |
| 239 | Y | 92.1 | Very high | 86.4 | Confident | 17 Ų | 17 | 71.6 Ų | 71.6 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.3 | -178.7 | -61.7 | -98.4 | 0 | 0 | 0 | 109.9 | Y237 E250 P278 Y279 R280 E282 | Y237-Y239 HydrophobicContact CD1-CD2 4.38Å; Y237-Y239 AromaticContact CD1-CE2 3.73Å; Y237-Y239 HydrophobicContact CD1-CE2 3.73Å; Y237-Y239 AromaticContact CD1-CZ 3.87Å; Y237-Y239 HydrophobicContact CE1-CE1 4.12Å; Y237-Y239 AromaticContact CE1-CE2 3.99Å; Y237-Y239 HydrophobicContact CE1-CE2 3.99Å; Y237-Y239 AromaticContact CE1-CZ 3.67Å; Y239-E250 HydrophobicContact CD1-CG 3.57Å; Y239-E250 HydrophobicContact CE1-CG 3.77Å; Y239-E250 WeakPolarHBondContact CE1-OE1 3.21Å; Y239-E250 HydrophobicContact CG-CG 4.44Å; Y239-P278 CarbonylContact O-C 3.55Å; Y239-P278 WeakPolarHBondContact O-CA 3.37Å; Y239-P278 VanDerWaalsContact O-CB 3.26Å; Y239-P278 WeakPolarHBondContact O-CB 3.5Å; Y239-Y279 WeakPolarHBondContact CB-OH 3.35Å; Y239-Y279 WeakPolarHBondContact O-CD1 3.32Å; Y239-Y279 WeakPolarHBondContact O-CE1 3.36Å; Y239-Y279 PolarHBondContact O-N 2.95Å; Y239-R280 HydrophobicContact CD2-CB 3.95Å; Y239-R280 HydrophobicContact CD2-CG 3.83Å; Y239-R280 HydrophobicContact CE2-CG 4.3Å; Y239-R280 HydrophobicContact CG-CB 4.4Å; Y239-R280 PolarHBondContact N-O 2.94Å; Y239-E282 HydrophobicContact CE2-CG 4.16Å; Y239-E282 PolarHBondContact OH-OE2 2.94Å |
| 240 | Y | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.8 | -173.8 | -66.3 | -95.5 | 0 | 0 | 0 | 111.7 | R248 W249 S251 V254 Q267 F276 P278 | Y240-R248 WeakPolarHBondContact O-CA 3.09Å; Y240-W249 VanDerWaalsContact CB-CZ2 3.4Å; Y240-W249 AromaticContact CD1-CZ2 3.94Å; Y240-W249 HydrophobicContact CD1-CZ2 3.94Å; Y240-W249 AromaticContact CD2-CD1 3.95Å; Y240-W249 AromaticContact CD2-NE1 3.56Å; Y240-W249 HydrophobicContact CG-CD2 4.39Å; Y240-W249 AromaticContact CG-CE2 3.63Å; Y240-W249 AromaticContact CG-CZ2 3.81Å; Y240-W249 HydrophobicContact CG-CZ2 3.81Å; Y240-W249 AromaticContact CG-NE1 3.47Å; Y240-W249 PolarHBondContact N-O 2.91Å; Y240-W249 PolarHBondContact O-N 3.42Å; Y240-W249 VanDerWaalsContact O-N 3.17Å; Y240-S251 VanDerWaalsContact CE2-OG 3.25Å; Y240-S251 WeakPolarHBondContact CE2-OG 3.19Å; Y240-V254 HydrophobicContact CE2-CG2 3.83Å; Y240-V254 WeakPolarHBondContact OH-CG2 3.33Å; Y240-Q267 HydrophobicContact CD1-CB 4.39Å; Y240-Q267 HydrophobicContact CE1-CB 3.79Å; Y240-Q267 HydrophobicContact CE1-CG 4.16Å; Y240-Q267 HydrophobicContact CE2-CG 4.39Å; Y240-Q267 VanDerWaalsContact CE2-OE1 3.3Å; Y240-Q267 VanDerWaalsContact CZ-CD 3.41Å; Y240-Q267 VanDerWaalsContact OH-CD 3.23Å; Y240-Q267 WeakPolarHBondContact OH-CG 3.39Å; Y240-Q267 PolarHBondContact OH-NE2 2.92Å; Y240-F276 HydrophobicContact CD1-CB 4.21Å; Y240-F276 WeakPolarHBondContact CE1-O 3.41Å; Y240-P278 HydrophobicContact CD1-CB 4.17Å; Y240-P278 HydrophobicContact CD2-CB 4.26Å; Y240-P278 HydrophobicContact CE1-CB 3.82Å; Y240-P278 VanDerWaalsContact CE1-CD 3.47Å; Y240-P278 HydrophobicContact CE1-CG 4.1Å; Y240-P278 VanDerWaalsContact CE1-N 3.27Å; Y240-P278 HydrophobicContact CE2-CB 3.88Å; Y240-P278 HydrophobicContact CG-CB 4.38Å |
| 241 | H | 94.5 | Very high | 89.3 | Confident | 58 Ų | 58 | 61 Ų | 61 | 27% | 0.269 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 120 | 176.1 | 173.4 | -94 | 0 | 0 | 0 | 109.6 | Y279 | H241-Y279 HydrophobicContact CB-CD1 4.07Å; H241-Y279 HydrophobicContact CB-CE1 4.1Å |
| 242 | C | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -91.2 | 118.2 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | E244 C245 N246 L247 W249 C269 C272 F276 | C242-E244 VanDerWaalsContact C-N 3.32Å; C242-E244 PolarHBondContact O-N 3.42Å; C242-C245 HydrophobicContact CB-CB 4.36Å; C242-C245 PolarHBondContact SG-N 3.14Å; C242-C245 VanDerWaalsContact SG-N 3.43Å; C242-N246 WeakPolarHBondContact O-CA 3.38Å; C242-N246 PolarHBondContact O-N 3.29Å; C242-L247 PolarHBondContact N-O 2.86Å; C242-W249 HydrophobicContact CB-CH2 3.98Å; C242-W249 HydrophobicContact CB-CZ3 3.6Å; C242-C269 HydrophobicContact CB-CB 4.23Å; C242-C269 VanDerWaalsContact SG-SG 3.69Å; C242-C272 VanDerWaalsContact SG-SG 3.69Å; C242-F276 HydrophobicContact CB-CD2 4.41Å; C242-F276 HydrophobicContact CB-CE2 3.92Å; C242-F276 HydrophobicContact CB-CZ 4.01Å; C242-F276 WeakPolarHBondContact SG-CE2 3.16Å; C242-F276 WeakPolarHBondContact SG-CZ 3.17Å | ||
| 243 | R | 92.8 | Very high | 90.5 | Very high | 210 Ų | 210 | 54.2 Ų | 54.2 | 79% | 0.792 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.2 | 179.6 | -65.3 | -176.1 | 179.1 | -172.8 | -1.8 | 114.2 | N246 | R243-N246 PolarHBondContact O-OD1 3.23Š|
| 244 | E | 93.2 | Very high | 90.6 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -39.4 | -176.2 | -64.7 | 173 | -163.9 | 0 | 0 | 112.1 | C242 C272 K274 | C242-E244 VanDerWaalsContact C-N 3.32Å; C242-E244 PolarHBondContact O-N 3.42Å; E244-C272 VanDerWaalsContact CB-SG 3.53Å; E244-K274 VanDerWaalsContact CD-CD 3.49Å; E244-K274 WeakPolarHBondContact OE1-CD 3.28Å; E244-K274 WeakPolarHBondContact OE1-CE 3.23Å; E244-K274 IonicContact OE1-NZ 2.63Å; E244-K274 PolarHBondContact OE1-NZ 3.26Å; E244-K274 WeakPolarHBondContact OE2-CD 3.08Å; E244-K274 VanDerWaalsContact OE2-CE 3.31Å; E244-K274 WeakPolarHBondContact OE2-CE 3.31Å; E244-K274 IonicContact OE2-NZ 2.66Å; E244-K274 PolarHBondContact OE2-NZ 2.95Å |
| 245 | C | 93.6 | Very high | 90.8 | Very high | 33 Ų | 33 | 50 Ų | 50 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -2.7 | -175.7 | -73.9 | 0 | 0 | 0 | 0 | 112.6 | C242 L247 K271 C272 | C242-C245 HydrophobicContact CB-CB 4.36Å; C242-C245 PolarHBondContact SG-N 3.14Å; C242-C245 VanDerWaalsContact SG-N 3.43Å; C245-L247 HydrophobicContact CB-CD1 4.4Å; C245-L247 HydrophobicContact CB-CG 4.28Å; C245-L247 PolarHBondContact O-N 3.25Å; C245-K271 HydrophobicContact CB-CB 4.16Å; C245-K271 HydrophobicContact CB-CD 4.17Å; C245-K271 WeakPolarHBondContact SG-CB 3.36Å; C245-C272 WeakPolarHBondContact CB-SG 3.22Å; C245-C272 WeakPolarHBondContact SG-CB 3.36Å; C245-C272 PolarHBondContact SG-N 3.07Å; C245-C272 CovalentContact SG-SG 2.06Å; C245-C272 PolarHBondContact SG-SG 3.1Å |
| 246 | N | 93.1 | Very high | 90.9 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 66% | 0.658 | 22% | 0.218 | S | C | * | . | trans | 46.3 | 27.2 | -172.2 | -68.3 | -29.5 | 0 | 0 | 0 | 114.9 | C242 R243 | C242-N246 WeakPolarHBondContact O-CA 3.38Å; C242-N246 PolarHBondContact O-N 3.29Å; R243-N246 PolarHBondContact O-OD1 3.23Å | ||
| 247 | L | 92.3 | Very high | 90.9 | Very high | 52 Ų | 52 | 49 Ų | 49 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | trans | -84.4 | 129 | 176.2 | -73.4 | 178.4 | 0 | 0 | 0 | 109.7 | C242 C245 W249 K271 | C242-L247 PolarHBondContact N-O 2.86Å; C245-L247 HydrophobicContact CB-CD1 4.4Å; C245-L247 HydrophobicContact CB-CG 4.28Å; C245-L247 PolarHBondContact O-N 3.25Å; L247-W249 HydrophobicContact CB-CE3 4.21Å; L247-W249 HydrophobicContact CB-CZ3 4.33Å; L247-W249 VanDerWaalsContact O-CZ3 3.3Å; L247-W249 WeakPolarHBondContact O-CZ3 3.3Å; L247-K271 HydrophobicContact CD1-CB 4.1Å; L247-K271 HydrophobicContact CD1-CD 3.51Å; L247-K271 HydrophobicContact CD1-CG 3.61Å; L247-K271 HydrophobicContact CG-CD 4.1Å | ||
| 248 | R | 94 | Very high | 90.7 | Very high | 194 Ų | 194 | 52.9 Ų | 52.9 | 73% | 0.732 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 136 | 165.6 | -70.6 | 178.9 | 172.6 | 164.8 | -1 | 108.8 | Y240 | Y240-R248 WeakPolarHBondContact O-CA 3.09Å |
| 249 | W | 91.8 | Very high | 90.2 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 162 | 175 | 70.9 | 93.9 | 0 | 0 | 0 | 110.8 | Y240 C242 L247 C269 F276 | Y240-W249 VanDerWaalsContact CB-CZ2 3.4Å; Y240-W249 AromaticContact CD1-CZ2 3.94Å; Y240-W249 HydrophobicContact CD1-CZ2 3.94Å; Y240-W249 AromaticContact CD2-CD1 3.95Å; Y240-W249 AromaticContact CD2-NE1 3.56Å; Y240-W249 HydrophobicContact CG-CD2 4.39Å; Y240-W249 AromaticContact CG-CE2 3.63Å; Y240-W249 AromaticContact CG-CZ2 3.81Å; Y240-W249 HydrophobicContact CG-CZ2 3.81Å; Y240-W249 AromaticContact CG-NE1 3.47Å; Y240-W249 PolarHBondContact N-O 2.91Å; Y240-W249 PolarHBondContact O-N 3.42Å; Y240-W249 VanDerWaalsContact O-N 3.17Å; C242-W249 HydrophobicContact CB-CH2 3.98Å; C242-W249 HydrophobicContact CB-CZ3 3.6Å; L247-W249 HydrophobicContact CB-CE3 4.21Å; L247-W249 HydrophobicContact CB-CZ3 4.33Å; L247-W249 VanDerWaalsContact O-CZ3 3.3Å; L247-W249 WeakPolarHBondContact O-CZ3 3.3Å; W249-C269 HydrophobicContact CH2-CB 3.93Å; W249-C269 HydrophobicContact CZ3-CB 4.34Å; W249-F276 HydrophobicContact CH2-CB 4.3Å; W249-F276 AromaticContact CH2-CD2 3.85Å; W249-F276 HydrophobicContact CH2-CD2 3.85Å; W249-F276 HydrophobicContact CH2-CG 4.22Å; W249-F276 HydrophobicContact CZ2-CB 4.43Å; W249-F276 HydrophobicContact CZ2-CD2 4.49Å |
| 250 | E | 90.1 | Very high | 89.9 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 49% | 0.486 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.5 | -178.2 | -54.4 | 178.8 | -171.7 | 0 | 0 | 109.2 | Y237 G238 Y239 | Y237-E250 HydrophobicContact CE1-CB 3.83Å; Y237-E250 HydrophobicContact CE1-CG 4.33Å; Y237-E250 VanDerWaalsContact CE1-OE2 3.31Å; Y237-E250 WeakPolarHBondContact CE1-OE2 3.41Å; Y237-E250 VanDerWaalsContact CZ-OE2 3.32Å; Y237-E250 VanDerWaalsContact OH-CB 3.23Å; Y237-E250 WeakPolarHBondContact OH-CB 3.42Å; Y237-E250 PolarHBondContact OH-OE2 3.24Å; G238-E250 WeakPolarHBondContact O-CA 3.44Å; Y239-E250 HydrophobicContact CD1-CG 3.57Å; Y239-E250 HydrophobicContact CE1-CG 3.77Å; Y239-E250 WeakPolarHBondContact CE1-OE1 3.21Å; Y239-E250 HydrophobicContact CG-CG 4.44Å |
| 251 | S | 86.4 | Confident | 89.6 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 12% | 0.119 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 140.9 | 177.7 | 61.1 | 0 | 0 | 0 | 0 | 112 | G238 Y240 Y253 Q267 | G238-S251 PolarHBondContact N-O 3.48Å; G238-S251 PolarHBondContact O-N 3.03Å; Y240-S251 VanDerWaalsContact CE2-OG 3.25Å; Y240-S251 WeakPolarHBondContact CE2-OG 3.19Å; S251-Y253 PolarHBondContact O-N 2.96Å; S251-Q267 PolarHBondContact OG-NE2 2.87Å; S251-Q267 PolarHBondContact OG-OE1 2.95Å |
| 252 | A | 85.5 | Confident | 89.4 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q235 K236 Y237 I284 | Q235-A252 WeakPolarHBondContact CG-O 3.41Å; Q235-A252 PolarHBondContact NE2-O 3.01Å; K236-A252 CarbonylContact O-C 3.42Å; Y237-A252 HydrophobicContact CD2-CB 3.93Å; Y237-A252 HydrophobicContact CE2-CB 4.29Å; A252-I284 HydrophobicContact CB-CD1 4.08Å |
| 253 | Y | 85.3 | Confident | 89.1 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 41.2 | -174.4 | -72.3 | -86.6 | 0 | 0 | 0 | 111.5 | Q235 S251 Q267 P305 R307 H309 C324 | Q235-Y253 VanDerWaalsContact NE2-CD1 3.34Å; S251-Y253 PolarHBondContact O-N 2.96Å; Y253-Q267 VanDerWaalsContact C-NE2 3.35Å; Y253-Q267 PolarHBondContact O-NE2 3.11Å; Y253-P305 PolarHBondContact OH-O 3.37Å; Y253-R307 VanDerWaalsContact CE2-O 3.26Å; Y253-R307 WeakPolarHBondContact CE2-O 3.45Å; Y253-R307 VanDerWaalsContact CZ-O 3.25Å; Y253-R307 PolarHBondContact OH-N 3.4Å; Y253-R307 PolarHBondContact OH-O 2.84Å; Y253-H309 HydrophobicContact CD1-CB 4.4Å; Y253-H309 AromaticContact CD1-CG 3.72Å; Y253-H309 AromaticContact CD1-ND1 3.65Å; Y253-H309 HydrophobicContact CD2-CB 3.31Å; Y253-H309 AromaticContact CD2-CG 3.55Å; Y253-H309 HydrophobicContact CE1-CB 4.41Å; Y253-H309 AromaticContact CE1-CE1 3.94Å; Y253-H309 AromaticContact CE1-CG 3.8Å; Y253-H309 AromaticContact CE1-ND1 3.35Å; Y253-H309 WeakPolarHBondContact CE1-ND1 3.18Å; Y253-H309 HydrophobicContact CE2-CB 3.34Å; Y253-H309 AromaticContact CE2-CG 3.67Å; Y253-H309 AromaticContact CE2-ND1 3.86Å; Y253-H309 HydrophobicContact CG-CB 3.89Å; Y253-H309 AromaticContact CG-CD2 3.92Å; Y253-H309 AromaticContact CG-CG 3.59Å; Y253-H309 AromaticContact CZ-CG 3.78Å; Y253-H309 AromaticContact CZ-ND1 3.47Å; Y253-C324 HydrophobicContact CD1-CB 4.09Å; Y253-C324 HydrophobicContact CE1-CB 4.29Å |
| 254 | V | 88.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.3 | 172.5 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | Q235 K236 Y240 V263 P278 | Q235-V254 CarbonylContact C-O 3.44Å; Q235-V254 WeakPolarHBondContact CA-O 3.4Å; K236-V254 PolarHBondContact N-O 3.48Å; K236-V254 VanDerWaalsContact O-CB 3.32Å; K236-V254 WeakPolarHBondContact O-CB 3.42Å; K236-V254 PolarHBondContact O-N 3.48Å; Y240-V254 HydrophobicContact CE2-CG2 3.83Å; Y240-V254 WeakPolarHBondContact OH-CG2 3.33Å; V254-V263 HydrophobicContact CG1-CB 4.36Å; V254-V263 HydrophobicContact CG1-CG1 3.82Å; V254-V263 HydrophobicContact CG1-CG2 3.65Å; V254-P278 HydrophobicContact CG1-CG 3.97Å |
| 255 | W | 88 | Confident | 88.7 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.4 | 179.4 | -63.8 | 92.6 | 0 | 0 | 0 | 109.2 | L233 E234 Q235 V263 Y264 F265 | L233-W255 HydrophobicContact CB-CB 4.35Å; L233-W255 HydrophobicContact CB-CE3 4.03Å; L233-W255 HydrophobicContact CD2-CB 3.92Å; L233-W255 HydrophobicContact CG-CB 4.49Å; E234-W255 WeakPolarHBondContact O-CA 3.12Å; Q235-W255 HydrophobicContact CB-CE3 4.22Å; Q235-W255 HydrophobicContact CB-CH2 3.94Å; Q235-W255 HydrophobicContact CB-CZ2 4.41Å; Q235-W255 HydrophobicContact CB-CZ3 3.84Å; Q235-W255 HydrophobicContact CG-CH2 4.19Å; Q235-W255 HydrophobicContact CG-CZ2 4.19Å; Q235-W255 HydrophobicContact CG-CZ3 4.48Å; W255-V263 WeakPolarHBondContact O-CA 3.26Å; W255-Y264 PolarHBondContact O-N 3.4Å; W255-F265 HydrophobicContact CB-CD2 3.86Å; W255-F265 AromaticContact CD1-CD2 3.98Å; W255-F265 HydrophobicContact CG-CD2 4.05Å |
| 256 | C | 88.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 153.3 | 177.5 | -67.9 | 0 | 0 | 0 | 0 | 110.4 | L233 E234 K236 Q258 K262 | L233-C256 CarbonylContact C-O 3.56Å; L233-C256 WeakPolarHBondContact CA-O 3.31Å; E234-C256 PolarHBondContact N-O 2.68Å; E234-C256 PolarHBondContact O-N 2.99Å; K236-C256 HydrophobicContact CD-CB 4.1Å; K236-C256 HydrophobicContact CG-CB 4.28Å; C256-Q258 PolarHBondContact O-N 2.83Å; C256-K262 CarbonylContact C-O 3.47Å; C256-K262 WeakPolarHBondContact CA-O 3.33Å |
| 257 | V | 88.1 | Confident | 88.5 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 125.1 | 169.3 | 165.8 | 0 | 0 | 0 | 0 | 108.9 | Q231 G259 T260 K262 | Q231-V257 HydrophobicContact CG-CB 4.49Å; Q231-V257 HydrophobicContact CG-CG1 3.42Å; Q231-V257 VanDerWaalsContact CG-CG1 3.42Å; V257-G259 PolarHBondContact O-N 3.09Å; V257-T260 WeakPolarHBondContact CB-OG1 3.07Å; V257-T260 HydrophobicContact CG1-CG2 4.41Å; V257-T260 CarbonylContact O-C 3.46Å; V257-T260 WeakPolarHBondContact O-CA 3.25Å; V257-T260 PolarHBondContact O-N 2.62Å; V257-T260 PolarHBondContact O-OG1 3.05Å; V257-K262 PolarHBondContact N-O 2.99Å |
| 258 | Q | 84.3 | Confident | 88.5 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 135.5 | -177.7 | -173.5 | -178 | 22.9 | 0 | 0 | 111.3 | F232 C256 T260 | F232-Q258 HydrophobicContact CB-CB 4.23Å; F232-Q258 VanDerWaalsContact CD2-OE1 3.29Å; F232-Q258 WeakPolarHBondContact O-CB 3.3Å; F232-Q258 PolarHBondContact O-N 3.38Å; C256-Q258 PolarHBondContact O-N 2.83Å; Q258-T260 PolarHBondContact O-N 2.97Å |
| 259 | G | 81.9 | Confident | 88.5 | Confident | 73 Ų | 73 | 50.3 Ų | 50.3 | 75% | 0.753 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 1.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V257 | V257-G259 PolarHBondContact O-N 3.09Š|
| 260 | T | 86.6 | Confident | 88.4 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -136.4 | 162.5 | 175.3 | 75.4 | 0 | 0 | 0 | 0 | 111.3 | V257 Q258 K262 | V257-T260 WeakPolarHBondContact CB-OG1 3.07Å; V257-T260 HydrophobicContact CG1-CG2 4.41Å; V257-T260 CarbonylContact O-C 3.46Å; V257-T260 WeakPolarHBondContact O-CA 3.25Å; V257-T260 PolarHBondContact O-N 2.62Å; V257-T260 PolarHBondContact O-OG1 3.05Å; Q258-T260 PolarHBondContact O-N 2.97Å; T260-K262 VanDerWaalsContact C-N 3.29Å; T260-K262 PolarHBondContact OG1-N 3.28Å |
| 261 | N | 87.5 | Confident | 88.5 | Confident | 103 Ų | 103 | 57.6 Ų | 57.6 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | trans | -95.2 | 19.7 | 171.5 | -66 | -24.2 | 0 | 0 | 0 | 112.3 | K236 V263 | K236-N261 PolarHBondContact NZ-OD1 2.77Å; N261-V263 PolarHBondContact O-N 2.81Å | ||
| 262 | K | 89.5 | Confident | 88.8 | Confident | 157 Ų | 157 | 58.4 Ų | 58.4 | 68% | 0.683 | 29% | 0.288 | S | S | * | . | trans | -82.9 | 113.5 | -179.1 | -171.9 | 174.9 | -177.8 | 175.5 | 0 | 110.6 | C256 V257 T260 | C256-K262 CarbonylContact C-O 3.47Å; C256-K262 WeakPolarHBondContact CA-O 3.33Å; V257-K262 PolarHBondContact N-O 2.99Å; T260-K262 VanDerWaalsContact C-N 3.29Å; T260-K262 PolarHBondContact OG1-N 3.28Å | ||
| 263 | V | 90.3 | Very high | 89 | Confident | 32 Ų | 32 | 64 Ų | 64 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 133.9 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 111 | V254 W255 N261 F265 P278 V281 | V254-V263 HydrophobicContact CG1-CB 4.36Å; V254-V263 HydrophobicContact CG1-CG1 3.82Å; V254-V263 HydrophobicContact CG1-CG2 3.65Å; W255-V263 WeakPolarHBondContact O-CA 3.26Å; N261-V263 PolarHBondContact O-N 2.81Å; V263-F265 WeakPolarHBondContact CG1-O 3.44Å; V263-P278 HydrophobicContact CG2-CG 3.52Å; V263-V281 HydrophobicContact CG2-CG2 4.11Å |
| 264 | Y | 87.7 | Confident | 89.3 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | trans | -97.3 | -35 | -179.8 | -164.6 | -102.7 | 0 | 0 | 0 | 113 | L233 W255 K331 | L233-Y264 HydrophobicContact CD2-CD1 3.66Å; L233-Y264 HydrophobicContact CD2-CG 3.81Å; W255-Y264 PolarHBondContact O-N 3.4Å; Y264-K331 HydrophobicContact CE1-CD 4.25Å; Y264-K331 HydrophobicContact CE2-CD 3.98Å; Y264-K331 VanDerWaalsContact CZ-CE 3.47Å; Y264-K331 WeakPolarHBondContact OH-CE 3.17Å; Y264-K331 PolarHBondContact OH-NZ 2.63Å | ||
| 265 | F | 88.6 | Confident | 89.5 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 19% | 0.189 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -116.5 | 130.9 | 179.5 | -63.1 | -67.7 | 0 | 0 | 0 | 111.3 | L233 W255 V263 R316 | L233-F265 HydrophobicContact CD2-CD2 4.16Å; L233-F265 HydrophobicContact CD2-CE2 3.68Å; W255-F265 HydrophobicContact CB-CD2 3.86Å; W255-F265 AromaticContact CD1-CD2 3.98Å; W255-F265 HydrophobicContact CG-CD2 4.05Å; V263-F265 WeakPolarHBondContact CG1-O 3.44Å; F265-R316 HydrophobicContact CB-CB 4.32Å; F265-R316 HydrophobicContact CD1-CB 4.35Å; F265-R316 HydrophobicContact CD2-CB 3.75Å; F265-R316 HydrophobicContact CD2-CG 4.03Å; F265-R316 HydrophobicContact CE2-CB 4.09Å; F265-R316 HydrophobicContact CE2-CG 3.87Å; F265-R316 HydrophobicContact CG-CB 3.89Å; F265-R316 HydrophobicContact CZ-CG 4.27Å |
| 266 | K | 91.6 | Very high | 89.7 | Confident | 111 Ų | 111 | 71.3 Ų | 71.3 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | trans | -74.9 | 159.4 | 173.8 | -55.9 | -168 | 176.8 | 174.9 | 0 | 110.9 | N277 G315 | K266-N277 WeakPolarHBondContact CG-OD1 3.2Å; K266-G315 WeakPolarHBondContact O-CA 3.32Å; K266-G315 PolarHBondContact O-N 3.42Å | ||
| 267 | Q | 91.8 | Very high | 89.9 | Confident | 13 Ų | 13 | 76.1 Ų | 76.1 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 147.5 | 168 | -69.2 | -176.2 | 14.8 | 0 | 0 | 110.5 | Y240 S251 Y253 G275 F276 | Y240-Q267 HydrophobicContact CD1-CB 4.39Å; Y240-Q267 HydrophobicContact CE1-CB 3.79Å; Y240-Q267 HydrophobicContact CE1-CG 4.16Å; Y240-Q267 HydrophobicContact CE2-CG 4.39Å; Y240-Q267 VanDerWaalsContact CE2-OE1 3.3Å; Y240-Q267 VanDerWaalsContact CZ-CD 3.41Å; Y240-Q267 VanDerWaalsContact OH-CD 3.23Å; Y240-Q267 WeakPolarHBondContact OH-CG 3.39Å; Y240-Q267 PolarHBondContact OH-NE2 2.92Å; S251-Q267 PolarHBondContact OG-NE2 2.87Å; S251-Q267 PolarHBondContact OG-OE1 2.95Å; Y253-Q267 VanDerWaalsContact C-NE2 3.35Å; Y253-Q267 PolarHBondContact O-NE2 3.11Å; Q267-G275 CarbonylContact O-C 3.54Å; Q267-G275 WeakPolarHBondContact O-CA 3.42Å; Q267-F276 PolarHBondContact N-O 2.72Å; Q267-F276 VanDerWaalsContact N-O 3.14Å; Q267-F276 PolarHBondContact O-N 3.22Å |
| 268 | F | 92.7 | Very high | 90.2 | Very high | 47 Ų | 47 | 76 Ų | 76 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.4 | -176 | -61.4 | -78.8 | 0 | 0 | 0 | 110.9 | Q273 K274 L313 K318 | F268-Q273 WeakPolarHBondContact CD1-O 3.48Å; F268-K274 WeakPolarHBondContact CA-O 3.44Å; F268-L313 HydrophobicContact CB-CD2 4.36Å; F268-L313 PolarHBondContact N-O 2.8Å; F268-K318 HydrophobicContact CD2-CD 3.53Å; F268-K318 HydrophobicContact CE2-CB 4.36Å; F268-K318 HydrophobicContact CE2-CD 3.37Å; F268-K318 HydrophobicContact CE2-CG 4.47Å; F268-K318 HydrophobicContact CG-CD 4.34Å; F268-K318 HydrophobicContact CZ-CD 4.08Å |
| 269 | C | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -64 | 137.5 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | C242 W249 K271 C272 Q273 K274 F276 | C242-C269 HydrophobicContact CB-CB 4.23Å; C242-C269 VanDerWaalsContact SG-SG 3.69Å; W249-C269 HydrophobicContact CH2-CB 3.93Å; W249-C269 HydrophobicContact CZ3-CB 4.34Å; C269-K271 VanDerWaalsContact C-N 3.29Å; C269-K271 PolarHBondContact O-N 3.4Å; C269-C272 HydrophobicContact CB-CB 4.02Å; C269-Q273 WeakPolarHBondContact O-CA 3.19Å; C269-Q273 PolarHBondContact O-N 3.28Å; C269-K274 PolarHBondContact N-O 3.46Å; C269-F276 HydrophobicContact CB-CD2 4.05Å; C269-F276 HydrophobicContact CB-CE2 3.8Å | ||
| 270 | R | 90.6 | Very high | 91.1 | Very high | 167 Ų | 167 | 80.9 Ų | 80.9 | 63% | 0.63 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35.2 | 178.8 | -176.6 | 179.3 | 172.8 | -173.7 | -3.8 | 113.5 | L313 | R270-L313 HydrophobicContact CB-CD1 3.84Å; R270-L313 HydrophobicContact CB-CD2 4.49Å; R270-L313 HydrophobicContact CG-CD1 4.27Å |
| 271 | K | 92.6 | Very high | 91.3 | Very high | 145 Ų | 145 | 79.5 Ų | 79.5 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -57.6 | -178.9 | -72.4 | -179.1 | -176.4 | -178.7 | 0 | 111.1 | C245 L247 C269 | C245-K271 HydrophobicContact CB-CB 4.16Å; C245-K271 HydrophobicContact CB-CD 4.17Å; C245-K271 WeakPolarHBondContact SG-CB 3.36Å; L247-K271 HydrophobicContact CD1-CB 4.1Å; L247-K271 HydrophobicContact CD1-CD 3.51Å; L247-K271 HydrophobicContact CD1-CG 3.61Å; L247-K271 HydrophobicContact CG-CD 4.1Å; C269-K271 VanDerWaalsContact C-N 3.29Å; C269-K271 PolarHBondContact O-N 3.4Å |
| 272 | C | 91.9 | Very high | 91.4 | Very high | 33 Ų | 33 | 77.4 Ų | 77.4 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.7 | -171.9 | -72.8 | 0 | 0 | 0 | 0 | 113.5 | C242 E244 C245 C269 K274 | C242-C272 VanDerWaalsContact SG-SG 3.69Å; E244-C272 VanDerWaalsContact CB-SG 3.53Å; C245-C272 WeakPolarHBondContact CB-SG 3.22Å; C245-C272 WeakPolarHBondContact SG-CB 3.36Å; C245-C272 PolarHBondContact SG-N 3.07Å; C245-C272 CovalentContact SG-SG 2.06Å; C245-C272 PolarHBondContact SG-SG 3.1Å; C269-C272 HydrophobicContact CB-CB 4.02Å; C272-K274 PolarHBondContact O-N 3.11Å |
| 273 | Q | 90.3 | Very high | 91.3 | Very high | 125 Ų | 125 | 73.9 Ų | 73.9 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | trans | 49.1 | 14.6 | -172.2 | -64.7 | -159.9 | 17.8 | 0 | 0 | 116.4 | F268 C269 | F268-Q273 WeakPolarHBondContact CD1-O 3.48Å; C269-Q273 WeakPolarHBondContact O-CA 3.19Å; C269-Q273 PolarHBondContact O-N 3.28Å | ||
| 274 | K | 92.1 | Very high | 91.1 | Very high | 102 Ų | 102 | 73.4 Ų | 73.4 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | trans | -81.5 | 145 | 173.3 | -73.6 | 171.1 | -177.9 | 173 | 0 | 110.8 | E244 F268 C269 C272 F276 | E244-K274 VanDerWaalsContact CD-CD 3.49Å; E244-K274 WeakPolarHBondContact OE1-CD 3.28Å; E244-K274 WeakPolarHBondContact OE1-CE 3.23Å; E244-K274 IonicContact OE1-NZ 2.63Å; E244-K274 PolarHBondContact OE1-NZ 3.26Å; E244-K274 WeakPolarHBondContact OE2-CD 3.08Å; E244-K274 VanDerWaalsContact OE2-CE 3.31Å; E244-K274 WeakPolarHBondContact OE2-CE 3.31Å; E244-K274 IonicContact OE2-NZ 2.66Å; E244-K274 PolarHBondContact OE2-NZ 2.95Å; F268-K274 WeakPolarHBondContact CA-O 3.44Å; C269-K274 PolarHBondContact N-O 3.46Å; C272-K274 PolarHBondContact O-N 3.11Å; K274-F276 HydrophobicContact CB-CE2 3.72Å; K274-F276 HydrophobicContact CB-CZ 4.1Å; K274-F276 WeakPolarHBondContact O-CD2 3.13Å; K274-F276 WeakPolarHBondContact O-CE2 3.24Å | ||
| 275 | G | 92 | Very high | 90.9 | Very high | 30 Ų | 30 | 71.2 Ų | 71.2 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 118.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q267 | Q267-G275 CarbonylContact O-C 3.54Å; Q267-G275 WeakPolarHBondContact O-CA 3.42Å |
| 276 | F | 93.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 69.3 Ų | 69.3 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 148.4 | 178 | -67.2 | -86 | 0 | 0 | 0 | 111 | Y240 C242 W249 Q267 C269 K274 | Y240-F276 HydrophobicContact CD1-CB 4.21Å; Y240-F276 WeakPolarHBondContact CE1-O 3.41Å; C242-F276 HydrophobicContact CB-CD2 4.41Å; C242-F276 HydrophobicContact CB-CE2 3.92Å; C242-F276 HydrophobicContact CB-CZ 4.01Å; C242-F276 WeakPolarHBondContact SG-CE2 3.16Å; C242-F276 WeakPolarHBondContact SG-CZ 3.17Å; W249-F276 HydrophobicContact CH2-CB 4.3Å; W249-F276 AromaticContact CH2-CD2 3.85Å; W249-F276 HydrophobicContact CH2-CD2 3.85Å; W249-F276 HydrophobicContact CH2-CG 4.22Å; W249-F276 HydrophobicContact CZ2-CB 4.43Å; W249-F276 HydrophobicContact CZ2-CD2 4.49Å; Q267-F276 PolarHBondContact N-O 2.72Å; Q267-F276 VanDerWaalsContact N-O 3.14Å; Q267-F276 PolarHBondContact O-N 3.22Å; C269-F276 HydrophobicContact CB-CD2 4.05Å; C269-F276 HydrophobicContact CB-CE2 3.8Å; K274-F276 HydrophobicContact CB-CE2 3.72Å; K274-F276 HydrophobicContact CB-CZ 4.1Å; K274-F276 WeakPolarHBondContact O-CD2 3.13Å; K274-F276 WeakPolarHBondContact O-CE2 3.24Å |
| 277 | N | 92.4 | Very high | 90 | Very high | 100 Ų | 100 | 70.7 Ų | 70.7 | 54% | 0.535 | 33% | 0.332 | S | S | . | . | trans | -90.4 | 145.6 | 165.4 | -69.6 | -15.5 | 0 | 0 | 0 | 108.5 | K266 | K266-N277 WeakPolarHBondContact CG-OD1 3.2Š| ||
| 278 | P | 93.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 10% | 0.104 | 36% | 0.359 | C | S | . | . | trans | -67.3 | 143 | 173.7 | 29.3 | -31.7 | 0 | 0 | 0 | 109.6 | Y239 Y240 V254 V263 V281 | Y239-P278 CarbonylContact O-C 3.55Å; Y239-P278 WeakPolarHBondContact O-CA 3.37Å; Y239-P278 VanDerWaalsContact O-CB 3.26Å; Y239-P278 WeakPolarHBondContact O-CB 3.5Å; Y240-P278 HydrophobicContact CD1-CB 4.17Å; Y240-P278 HydrophobicContact CD2-CB 4.26Å; Y240-P278 HydrophobicContact CE1-CB 3.82Å; Y240-P278 VanDerWaalsContact CE1-CD 3.47Å; Y240-P278 HydrophobicContact CE1-CG 4.1Å; Y240-P278 VanDerWaalsContact CE1-N 3.27Å; Y240-P278 HydrophobicContact CE2-CB 3.88Å; Y240-P278 HydrophobicContact CG-CB 4.38Å; V254-P278 HydrophobicContact CG1-CG 3.97Å; V263-P278 HydrophobicContact CG2-CG 3.52Å; P278-V281 HydrophobicContact CB-CG2 4.12Å; P278-V281 HydrophobicContact CG-CG2 3.65Å | ||
| 279 | Y | 93.3 | Very high | 89.2 | Confident | 143 Ų | 143 | 74.3 Ų | 74.3 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -86.1 | -22.7 | 177.3 | 64.4 | -95.6 | 0 | 0 | 0 | 112.2 | Y239 H241 | Y239-Y279 WeakPolarHBondContact CB-OH 3.35Å; Y239-Y279 WeakPolarHBondContact O-CD1 3.32Å; Y239-Y279 WeakPolarHBondContact O-CE1 3.36Å; Y239-Y279 PolarHBondContact O-N 2.95Å; H241-Y279 HydrophobicContact CB-CD1 4.07Å; H241-Y279 HydrophobicContact CB-CE1 4.1Å |
| 280 | R | 91.6 | Very high | 88.6 | Confident | 132 Ų | 132 | 80 Ų | 80 | 50% | 0.498 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.7 | 176.1 | 174.6 | 172.5 | 158.4 | -178.4 | -7.2 | 108.5 | G238 Y239 E282 | G238-R280 WeakPolarHBondContact CA-O 3.13Å; Y239-R280 HydrophobicContact CD2-CB 3.95Å; Y239-R280 HydrophobicContact CD2-CG 3.83Å; Y239-R280 HydrophobicContact CE2-CG 4.3Å; Y239-R280 HydrophobicContact CG-CB 4.4Å; Y239-R280 PolarHBondContact N-O 2.94Å; R280-E282 HydrophobicContact CG-CG 4.39Å; R280-E282 IonicContact CZ-OE1 3.05Å; R280-E282 IonicContact NE-OE1 2.73Å; R280-E282 PolarHBondContact NE-OE1 2.81Å; R280-E282 IonicContact NH2-OE1 2.6Å; R280-E282 PolarHBondContact NH2-OE1 2.91Å |
| 281 | V | 90.9 | Very high | 88.2 | Confident | 29 Ų | 29 | 78.5 Ų | 78.5 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.7 | -179.4 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | K236 Y237 V263 P278 | K236-V281 HydrophobicContact CB-CG1 3.58Å; K236-V281 HydrophobicContact CD-CG1 3.57Å; K236-V281 HydrophobicContact CG-CG1 4.18Å; Y237-V281 CarbonylContact O-C 3.54Å; Y237-V281 WeakPolarHBondContact O-CA 3.45Å; V263-V281 HydrophobicContact CG2-CG2 4.11Å; P278-V281 HydrophobicContact CB-CG2 4.12Å; P278-V281 HydrophobicContact CG-CG2 3.65Å |
| 282 | E | 90.9 | Very high | 87.4 | Confident | 58 Ų | 58 | 74.6 Ų | 74.6 | 27% | 0.271 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 158.5 | -179.5 | -62.2 | -173.5 | 164.1 | 0 | 0 | 110.3 | K236 Y237 Y239 R280 | K236-E282 WeakPolarHBondContact CB-O 3.5Å; Y237-E282 WeakPolarHBondContact CA-O 3.29Å; Y237-E282 PolarHBondContact N-O 3.48Å; Y237-E282 PolarHBondContact O-N 3.06Å; Y239-E282 HydrophobicContact CE2-CG 4.16Å; Y239-E282 PolarHBondContact OH-OE2 2.94Å; R280-E282 HydrophobicContact CG-CG 4.39Å; R280-E282 IonicContact CZ-OE1 3.05Å; R280-E282 IonicContact NE-OE1 2.73Å; R280-E282 PolarHBondContact NE-OE1 2.81Å; R280-E282 IonicContact NH2-OE1 2.6Å; R280-E282 PolarHBondContact NH2-OE1 2.91Å |
| 283 | D | 87.3 | Confident | 86.7 | Confident | 83 Ų | 83 | 84.2 Ų | 84.2 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 148.9 | 173.6 | -60.1 | -28.7 | 0 | 0 | 0 | 110.1 | K236 T285 | K236-D283 WeakPolarHBondContact CD-OD1 3.32Å; K236-D283 WeakPolarHBondContact CE-OD1 3.38Å; K236-D283 IonicContact NZ-OD1 2.7Å; K236-D283 PolarHBondContact NZ-OD1 3.08Å; D283-T285 VanDerWaalsContact C-N 3.29Å; D283-T285 HydrophobicContact CB-CG2 4.01Å; D283-T285 PolarHBondContact O-N 3.37Å |
| 284 | I | 84.8 | Confident | 86.1 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | trans | -75.9 | 87.9 | 176.7 | -59 | 172.8 | 0 | 0 | 0 | 107.4 | Q235 A252 A292 | Q235-I284 HydrophobicContact CB-CD1 4.26Å; Q235-I284 HydrophobicContact CG-CD1 3.76Å; A252-I284 HydrophobicContact CB-CD1 4.08Å; I284-A292 VanDerWaalsContact O-CA 3.25Å; I284-A292 WeakPolarHBondContact O-CA 3.21Å; I284-A292 WeakPolarHBondContact O-CB 3.37Å | ||
| 285 | T | 84.8 | Confident | 85.3 | Confident | 59 Ų | 59 | 80.9 Ų | 80.9 | 36% | 0.362 | 42% | 0.418 | S | S | . | . | trans | -122.8 | 151.2 | 179.4 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | D283 | D283-T285 VanDerWaalsContact C-N 3.29Å; D283-T285 HydrophobicContact CB-CG2 4.01Å; D283-T285 PolarHBondContact O-N 3.37Å | ||
| 286 | C | 81.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 81.5 Ų | 81.5 | 2% | 0.02 | 42% | 0.418 | C | S | . | . | trans | -75.9 | 132.1 | 170.8 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | T288 C289 N290 K291 C294 V303 | C286-T288 VanDerWaalsContact C-N 3.26Å; C286-T288 PolarHBondContact O-N 2.96Å; C286-T288 PolarHBondContact SG-N 2.83Å; C286-T288 VanDerWaalsContact SG-N 3.43Å; C286-C289 WeakPolarHBondContact CB-SG 3.05Å; C286-C289 PolarHBondContact O-N 3.46Å; C286-N290 WeakPolarHBondContact O-CA 3.08Å; C286-N290 PolarHBondContact O-N 2.55Å; C286-N290 PolarHBondContact O-OD1 3.17Å; C286-K291 PolarHBondContact N-O 2.76Å; C286-C294 HydrophobicContact CB-CB 3.44Å; C286-C294 VanDerWaalsContact CB-CB 3.44Å; C286-C294 VanDerWaalsContact SG-SG 3.6Å; C286-V303 HydrophobicContact CB-CG2 4.24Å | ||
| 287 | H | 79.4 | Confident | 83.8 | Confident | 140 Ų | 140 | 85 Ų | 85 | 65% | 0.648 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30.7 | 178 | -173.9 | -67.8 | 0 | 0 | 0 | 113.6 | ||
| 288 | T | 82.4 | Confident | 82.7 | Confident | 100 Ų | 100 | 86.9 Ų | 86.9 | 61% | 0.613 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -39.7 | -176.8 | -47 | 0 | 0 | 0 | 0 | 112.3 | C286 | C286-T288 VanDerWaalsContact C-N 3.26Å; C286-T288 PolarHBondContact O-N 2.96Å; C286-T288 PolarHBondContact SG-N 2.83Å; C286-T288 VanDerWaalsContact SG-N 3.43Å |
| 289 | C | 84.3 | Confident | 81.3 | Confident | 36 Ų | 36 | 89 Ų | 89 | 24% | 0.243 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -5.3 | -169.6 | 79.6 | 0 | 0 | 0 | 0 | 113.5 | C286 K291 C294 | C286-C289 WeakPolarHBondContact CB-SG 3.05Å; C286-C289 PolarHBondContact O-N 3.46Å; C289-K291 WeakPolarHBondContact O-CG 3.26Å; C289-K291 PolarHBondContact O-N 2.92Å; C289-C294 WeakPolarHBondContact CB-SG 3.13Å; C289-C294 WeakPolarHBondContact SG-CB 3.17Å; C289-C294 CovalentContact SG-SG 2.04Å; C289-C294 PolarHBondContact SG-SG 3.03Å |
| 290 | N | 81.4 | Confident | 79.8 | Confident | 120 Ų | 120 | 90.7 Ų | 90.7 | 64% | 0.642 | 49% | 0.488 | S | S | * | . | trans | 52.4 | 14 | -175.2 | -64.1 | -30.2 | 0 | 0 | 0 | 115.6 | C286 | C286-N290 WeakPolarHBondContact O-CA 3.08Å; C286-N290 PolarHBondContact O-N 2.55Å; C286-N290 PolarHBondContact O-OD1 3.17Å | ||
| 291 | K | 82.1 | Confident | 78.2 | Confident | 136 Ų | 136 | 90.4 Ų | 90.4 | 59% | 0.591 | 49% | 0.487 | S | S | * | . | trans | -92 | 144.1 | 176.9 | -63.6 | 167.6 | -174.8 | 179.3 | 0 | 110.5 | C286 C289 R293 | C286-K291 PolarHBondContact N-O 2.76Å; C289-K291 WeakPolarHBondContact O-CG 3.26Å; C289-K291 PolarHBondContact O-N 2.92Å; K291-R293 VanDerWaalsContact C-N 3.33Å | ||
| 292 | A | 76.1 | Confident | 76.8 | Confident | 62 Ų | 62 | 92.1 Ų | 92.1 | 51% | 0.512 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -72.2 | -25.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I284 | I284-A292 VanDerWaalsContact O-CA 3.25Å; I284-A292 WeakPolarHBondContact O-CA 3.21Å; I284-A292 WeakPolarHBondContact O-CB 3.37Å |
| 293 | R | 75.6 | Confident | 75.7 | Confident | 236 Ų | 236 | 90 Ų | 90 | 89% | 0.891 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -120.8 | 90.7 | 170.4 | -65.8 | -172.8 | -179.1 | 175.7 | 2.3 | 108.2 | K291 | K291-R293 VanDerWaalsContact C-N 3.33Š|
| 294 | C | 77.9 | Confident | 74.7 | Confident | 29 Ų | 29 | 91.3 Ų | 91.3 | 20% | 0.196 | 49% | 0.49 | C | S | . | . | trans | -106 | 144.2 | 180 | -155 | 0 | 0 | 0 | 0 | 110.4 | C286 C289 C296 | C286-C294 HydrophobicContact CB-CB 3.44Å; C286-C294 VanDerWaalsContact CB-CB 3.44Å; C286-C294 VanDerWaalsContact SG-SG 3.6Å; C289-C294 WeakPolarHBondContact CB-SG 3.13Å; C289-C294 WeakPolarHBondContact SG-CB 3.17Å; C289-C294 CovalentContact SG-SG 2.04Å; C289-C294 PolarHBondContact SG-SG 3.03Å; C294-C296 PolarHBondContact SG-SG 2.92Å | ||
| 295 | S | 75 | Confident | 73.9 | Confident | 127 Ų | 127 | 92.6 Ų | 92.6 | 89% | 0.888 | 50% | 0.501 | S | S | * | . | trans | -109.1 | 23.6 | 174.8 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 296 | C | 81.2 | Confident | 73.1 | Confident | 44 Ų | 44 | 98 Ų | 98 | 30% | 0.297 | 52% | 0.519 | S | S | . | . | trans | -68 | 139.5 | 179.1 | -74.6 | 0 | 0 | 0 | 0 | 110.8 | C294 L298 T299 | C294-C296 PolarHBondContact SG-SG 2.92Å; C296-L298 VanDerWaalsContact C-N 3.25Å; C296-L298 PolarHBondContact O-N 2.85Å; C296-T299 HydrophobicContact CB-CG2 3.97Å; C296-T299 WeakPolarHBondContact O-CG2 3.43Å; C296-T299 PolarHBondContact O-OG1 2.79Å | ||
| 297 | A | 73.1 | Confident | 72.5 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 89% | 0.893 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 298 | L | 70.4 | Confident | 72.1 | Confident | 141 Ų | 141 | 102.1 Ų | 102.1 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 28.4 | -176.9 | -66.2 | 173 | 0 | 0 | 0 | 113.1 | C296 Q300 | C296-L298 VanDerWaalsContact C-N 3.25Å; C296-L298 PolarHBondContact O-N 2.85Å; L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.03Å |
| 299 | T | 63.3 | Low | 71.9 | Confident | 59 Ų | 59 | 99.1 Ų | 99.1 | 36% | 0.362 | 52% | 0.523 | S | S | . | . | trans | -74.2 | 80.6 | 178.6 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | C296 R301 | C296-T299 HydrophobicContact CB-CG2 3.97Å; C296-T299 WeakPolarHBondContact O-CG2 3.43Å; C296-T299 PolarHBondContact O-OG1 2.79Å; T299-R301 VanDerWaalsContact C-N 3.34Å | ||
| 300 | Q | 61.2 | Low | 71.8 | Confident | 179 Ų | 179 | 104 Ų | 104 | 84% | 0.836 | 54% | 0.536 | S | S | * | . | trans | -78.9 | -15.3 | 173 | -72.7 | -173.3 | -5.7 | 0 | 0 | 113.4 | L298 | L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.03Å | ||
| 301 | R | 59.1 | Low | 72 | Confident | 126 Ų | 126 | 103.4 Ų | 103.4 | 48% | 0.475 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -83.9 | 144.8 | 170.6 | -66.5 | -165 | -179.2 | -150.1 | 1.6 | 110 | T299 V303 | T299-R301 VanDerWaalsContact C-N 3.34Å; R301-V303 HydrophobicContact CB-CG2 4.5Å; R301-V303 WeakPolarHBondContact O-CG2 3.34Å; R301-V303 PolarHBondContact O-N 2.87Å |
| 302 | H | 61.1 | Low | 72.2 | Confident | 65 Ų | 65 | 101.1 Ų | 101.1 | 30% | 0.301 | 52% | 0.524 | S | S | . | . | trans | -65.2 | 62.4 | -179.1 | -49.2 | 129.9 | 0 | 0 | 0 | 112.5 | D304 R307 | H302-D304 PolarHBondContact O-N 2.77Å; H302-R307 PolarHBondContact CD2-NE 2.88Å; H302-R307 PolarHBondContact CD2-NH1 3.42Å; H302-R307 PolarHBondContact CD2-NH2 2.84Å; H302-R307 PolarHBondContact CE1-NH1 2.96Å; H302-R307 PolarHBondContact ND1-NH1 2.78Å; H302-R307 VanDerWaalsContact ND1-NH1 3.11Å; H302-R307 PolarHBondContact NE2-NH1 3.35Å; H302-R307 PolarHBondContact NE2-NH2 2.81Å | ||
| 303 | V | 66.8 | Low | 72.8 | Confident | 13 Ų | 13 | 99.6 Ų | 99.6 | 8% | 0.079 | 51% | 0.507 | C | S | . | . | trans | -74.1 | -17.8 | 179.2 | 179 | 0 | 0 | 0 | 0 | 110.5 | C286 R301 P305 | C286-V303 HydrophobicContact CB-CG2 4.24Å; R301-V303 HydrophobicContact CB-CG2 4.5Å; R301-V303 WeakPolarHBondContact O-CG2 3.34Å; R301-V303 PolarHBondContact O-N 2.87Å; V303-P305 WeakPolarHBondContact O-CD 3.5Å | ||
| 304 | D | 66.8 | Low | 73.4 | Confident | 111 Ų | 111 | 88.6 Ų | 88.6 | 59% | 0.594 | 47% | 0.466 | S | S | * | . | trans | -69.1 | 109.1 | 177.2 | -68.8 | -35.9 | 0 | 0 | 0 | 111.3 | H302 K306 R307 | H302-D304 PolarHBondContact O-N 2.77Å; D304-K306 PolarHBondContact O-N 2.86Å; D304-K306 VanDerWaalsContact O-N 3.09Å; D304-R307 HydrophobicContact CB-CB 4.2Å; D304-R307 WeakPolarHBondContact O-CB 3.38Å; D304-R307 PolarHBondContact O-N 3.13Å | ||
| 305 | P | 69.1 | Low | 73.7 | Confident | 51 Ų | 51 | 88 Ų | 88 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.6 | 176.9 | 30.3 | -35.3 | 0 | 0 | 0 | 112.2 | Y253 V303 | Y253-P305 PolarHBondContact OH-O 3.37Å; V303-P305 WeakPolarHBondContact O-CD 3.5Å |
| 306 | K | 67.1 | Low | 74.2 | Confident | 172 Ų | 172 | 83.1 Ų | 83.1 | 75% | 0.748 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 5.5 | 177.1 | -63.5 | -174.8 | 177.9 | -177.9 | 0 | 113.2 | D304 | D304-K306 PolarHBondContact O-N 2.86Å; D304-K306 VanDerWaalsContact O-N 3.09Å |
| 307 | R | 70.2 | Confident | 74.3 | Confident | 111 Ų | 111 | 81.2 Ų | 81.2 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | trans | -60.7 | 122.3 | -177.4 | -176.6 | 178.4 | -175.8 | -142.6 | 12.2 | 110 | Y253 H302 D304 H309 | Y253-R307 VanDerWaalsContact CE2-O 3.26Å; Y253-R307 WeakPolarHBondContact CE2-O 3.45Å; Y253-R307 VanDerWaalsContact CZ-O 3.25Å; Y253-R307 PolarHBondContact OH-N 3.4Å; Y253-R307 PolarHBondContact OH-O 2.84Å; H302-R307 PolarHBondContact CD2-NE 2.88Å; H302-R307 PolarHBondContact CD2-NH1 3.42Å; H302-R307 PolarHBondContact CD2-NH2 2.84Å; H302-R307 PolarHBondContact CE1-NH1 2.96Å; H302-R307 PolarHBondContact ND1-NH1 2.78Å; H302-R307 VanDerWaalsContact ND1-NH1 3.11Å; H302-R307 PolarHBondContact NE2-NH1 3.35Å; H302-R307 PolarHBondContact NE2-NH2 2.81Å; D304-R307 HydrophobicContact CB-CB 4.2Å; D304-R307 WeakPolarHBondContact O-CB 3.38Å; D304-R307 PolarHBondContact O-N 3.13Å; R307-H309 PolarHBondContact O-N 2.6Å; R307-H309 VanDerWaalsContact O-N 3.09Å | ||
| 308 | P | 70.9 | Confident | 74.9 | Confident | 119 Ų | 119 | 79.5 Ų | 79.5 | 77% | 0.773 | 39% | 0.387 | S | S | * | . | trans | -54.1 | 125.1 | -177.7 | 23.1 | -33.9 | 0 | 0 | 0 | 110.6 | ||||
| 309 | H | 78.3 | Confident | 75.2 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 17% | 0.167 | 40% | 0.396 | C | S | . | . | trans | -114.8 | 159.3 | 177.6 | 72.8 | -63.7 | 0 | 0 | 0 | 110.9 | Y253 R307 Q311 C324 | Y253-H309 HydrophobicContact CD1-CB 4.4Å; Y253-H309 AromaticContact CD1-CG 3.72Å; Y253-H309 AromaticContact CD1-ND1 3.65Å; Y253-H309 HydrophobicContact CD2-CB 3.31Å; Y253-H309 AromaticContact CD2-CG 3.55Å; Y253-H309 HydrophobicContact CE1-CB 4.41Å; Y253-H309 AromaticContact CE1-CE1 3.94Å; Y253-H309 AromaticContact CE1-CG 3.8Å; Y253-H309 AromaticContact CE1-ND1 3.35Å; Y253-H309 WeakPolarHBondContact CE1-ND1 3.18Å; Y253-H309 HydrophobicContact CE2-CB 3.34Å; Y253-H309 AromaticContact CE2-CG 3.67Å; Y253-H309 AromaticContact CE2-ND1 3.86Å; Y253-H309 HydrophobicContact CG-CB 3.89Å; Y253-H309 AromaticContact CG-CD2 3.92Å; Y253-H309 AromaticContact CG-CG 3.59Å; Y253-H309 AromaticContact CZ-CG 3.78Å; Y253-H309 AromaticContact CZ-ND1 3.47Å; R307-H309 PolarHBondContact O-N 2.6Å; R307-H309 VanDerWaalsContact O-N 3.09Å; H309-Q311 PolarHBondContact O-N 3.27Å; H309-C324 WeakPolarHBondContact CE1-CB 3.43Å | ||
| 310 | R | 81.9 | Confident | 76.1 | Confident | 138 Ų | 138 | 79.5 Ų | 79.5 | 52% | 0.521 | 40% | 0.402 | S | S | . | . | trans | -75 | 103.1 | 179.8 | -77.1 | -167.2 | 176 | -157.2 | -2.1 | 110.6 | D312 L313 C314 | R310-D312 VanDerWaalsContact C-N 3.29Å; R310-D312 VanDerWaalsContact C-OD1 3.32Å; R310-D312 VanDerWaalsContact CB-OD1 3.26Å; R310-D312 WeakPolarHBondContact CB-OD1 3.2Å; R310-D312 PolarHBondContact O-N 2.9Å; R310-L313 HydrophobicContact CB-CD1 4.37Å; R310-L313 HydrophobicContact CB-CG 4.45Å; R310-L313 PolarHBondContact O-N 2.7Å; R310-C314 PolarHBondContact O-N 2.85Å | ||
| 311 | Q | 85.9 | Confident | 76.5 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -65.8 | -31.7 | -175.8 | -64.1 | 179 | 7.2 | 0 | 0 | 112.8 | H309 L313 C314 K318 | H309-Q311 PolarHBondContact O-N 3.27Å; Q311-L313 PolarHBondContact O-N 3.32Å; Q311-C314 PolarHBondContact O-N 2.7Å; Q311-K318 WeakPolarHBondContact O-CA 3.25Å; Q311-K318 PolarHBondContact O-N 3.46Å |
| 312 | D | 85.8 | Confident | 77 | Confident | 89 Ų | 89 | 83.5 Ų | 83.5 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -60.1 | -28 | 175.8 | 57.2 | -44.5 | 0 | 0 | 0 | 113 | R310 K318 | R310-D312 VanDerWaalsContact C-N 3.29Å; R310-D312 VanDerWaalsContact C-OD1 3.32Å; R310-D312 VanDerWaalsContact CB-OD1 3.26Å; R310-D312 WeakPolarHBondContact CB-OD1 3.2Å; R310-D312 PolarHBondContact O-N 2.9Å; D312-K318 WeakPolarHBondContact O-CD 3.44Å |
| 313 | L | 87.9 | Confident | 77.4 | Confident | 29 Ų | 29 | 83.3 Ų | 83.3 | 15% | 0.152 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -103.1 | -7.4 | -178.2 | -56.3 | -179.2 | 0 | 0 | 0 | 113.7 | F268 R270 R310 Q311 | F268-L313 HydrophobicContact CB-CD2 4.36Å; F268-L313 PolarHBondContact N-O 2.8Å; R270-L313 HydrophobicContact CB-CD1 3.84Å; R270-L313 HydrophobicContact CB-CD2 4.49Å; R270-L313 HydrophobicContact CG-CD1 4.27Å; R310-L313 HydrophobicContact CB-CD1 4.37Å; R310-L313 HydrophobicContact CB-CG 4.45Å; R310-L313 PolarHBondContact O-N 2.7Å; Q311-L313 PolarHBondContact O-N 3.32Å |
| 314 | C | 88.1 | Confident | 77.6 | Confident | 5 Ų | 5 | 82.7 Ų | 82.7 | 3% | 0.034 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 117.8 | -178.1 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | R310 Q311 R316 C317 K318 | R310-C314 PolarHBondContact O-N 2.85Å; Q311-C314 PolarHBondContact O-N 2.7Å; C314-R316 PolarHBondContact O-N 2.88Å; C314-C317 PolarHBondContact O-N 3.15Å; C314-C317 VanDerWaalsContact O-N 3.12Å; C314-K318 WeakPolarHBondContact O-CB 3.5Å; C314-K318 PolarHBondContact O-N 3.26Å |
| 315 | G | 85.3 | Confident | 77.4 | Confident | 18 Ų | 18 | 81.3 Ų | 81.3 | 19% | 0.186 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -11.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K266 | K266-G315 WeakPolarHBondContact O-CA 3.32Å; K266-G315 PolarHBondContact O-N 3.42Å |
| 316 | R | 84.8 | Confident | 76.9 | Confident | 24 Ų | 24 | 82 Ų | 82 | 9% | 0.091 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -42.1 | 171.6 | 179.9 | 176.6 | 164.8 | 164 | -11.9 | 112.1 | F265 C314 K320 S326 S329 | F265-R316 HydrophobicContact CB-CB 4.32Å; F265-R316 HydrophobicContact CD1-CB 4.35Å; F265-R316 HydrophobicContact CD2-CB 3.75Å; F265-R316 HydrophobicContact CD2-CG 4.03Å; F265-R316 HydrophobicContact CE2-CB 4.09Å; F265-R316 HydrophobicContact CE2-CG 3.87Å; F265-R316 HydrophobicContact CG-CB 3.89Å; F265-R316 HydrophobicContact CZ-CG 4.27Å; C314-R316 PolarHBondContact O-N 2.88Å; R316-K320 WeakPolarHBondContact O-CD 3.17Å; R316-S326 PolarHBondContact NH2-O 2.6Å; R316-S329 VanDerWaalsContact NH1-CB 3.31Å; R316-S329 PolarHBondContact NH1-OG 2.7Å |
| 317 | C | 84 | Confident | 76.4 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.02 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -16.6 | -170.1 | -68.5 | 0 | 0 | 0 | 0 | 114.4 | C314 G319 K320 L322 C324 | C314-C317 PolarHBondContact O-N 3.15Å; C314-C317 VanDerWaalsContact O-N 3.12Å; C317-G319 PolarHBondContact O-N 3.43Å; C317-G319 VanDerWaalsContact O-N 3.08Å; C317-K320 PolarHBondContact O-N 3.27Å; C317-L322 PolarHBondContact SG-O 3.33Å; C317-C324 WeakPolarHBondContact CB-SG 3Å; C317-C324 WeakPolarHBondContact SG-CA 3.48Å; C317-C324 WeakPolarHBondContact SG-CB 3.1Å; C317-C324 PolarHBondContact SG-N 3.31Å; C317-C324 CovalentContact SG-SG 2.04Å; C317-C324 PolarHBondContact SG-SG 2.85Å |
| 318 | K | 84.6 | Confident | 75.8 | Confident | 73 Ų | 73 | 78.3 Ų | 78.3 | 32% | 0.317 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 117.5 | 179.1 | -174 | 179.6 | -173.1 | 177.7 | 0 | 110.4 | F268 Q311 D312 C314 K320 | F268-K318 HydrophobicContact CD2-CD 3.53Å; F268-K318 HydrophobicContact CE2-CB 4.36Å; F268-K318 HydrophobicContact CE2-CD 3.37Å; F268-K318 HydrophobicContact CE2-CG 4.47Å; F268-K318 HydrophobicContact CG-CD 4.34Å; F268-K318 HydrophobicContact CZ-CD 4.08Å; Q311-K318 WeakPolarHBondContact O-CA 3.25Å; Q311-K318 PolarHBondContact O-N 3.46Å; D312-K318 WeakPolarHBondContact O-CD 3.44Å; C314-K318 WeakPolarHBondContact O-CB 3.5Å; C314-K318 PolarHBondContact O-N 3.26Å; K318-K320 VanDerWaalsContact C-N 3.26Å; K318-K320 PolarHBondContact O-N 2.04Å |
| 319 | G | 77.9 | Confident | 75 | Confident | 91 Ų | 91 | 73.5 Ų | 73.5 | 94% | 0.938 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 7.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | C317 | C317-G319 PolarHBondContact O-N 3.43Å; C317-G319 VanDerWaalsContact O-N 3.08Å |
| 320 | K | 81.3 | Confident | 73.9 | Confident | 109 Ų | 109 | 77.8 Ų | 77.8 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | trans | -112.4 | 149.7 | -179.9 | -62.1 | -178.8 | -168.5 | 167.8 | 0 | 110.8 | R316 C317 K318 L322 | R316-K320 WeakPolarHBondContact O-CD 3.17Å; C317-K320 PolarHBondContact O-N 3.27Å; K318-K320 VanDerWaalsContact C-N 3.26Å; K318-K320 PolarHBondContact O-N 2.04Å; K320-L322 PolarHBondContact O-N 3.02Å | ||
| 321 | R | 69.9 | Low | 72.9 | Confident | 262 Ų | 262 | 74.8 Ų | 74.8 | 99% | 0.989 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -75 | -0.2 | 172.7 | -64.6 | -173.1 | 177.9 | -173.6 | 0.4 | 113.7 | ||
| 322 | L | 69.7 | Low | 71.1 | Confident | 127 Ų | 127 | 80.1 Ų | 80.1 | 67% | 0.665 | 41% | 0.408 | S | S | * | . | trans | -90.2 | 125.5 | -179.3 | -69.1 | 157.9 | 0 | 0 | 0 | 109.2 | C317 K320 | C317-L322 PolarHBondContact SG-O 3.33Å; K320-L322 PolarHBondContact O-N 3.02Å | ||
| 323 | S | 68.7 | Low | 69.1 | Low | 60 Ų | 60 | 79.1 Ų | 79.1 | 42% | 0.42 | 40% | 0.402 | S | S | . | . | trans | -79.7 | 150.6 | 173 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | D325 | S323-D325 PolarHBondContact O-N 2.75Š| ||
| 324 | C | 71.7 | Confident | 66.7 | Low | 1 Ų | 1 | 88.8 Ų | 88.8 | 1% | 0.007 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 4.1 | 177.1 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | Y253 H309 C317 S326 | Y253-C324 HydrophobicContact CD1-CB 4.09Å; Y253-C324 HydrophobicContact CE1-CB 4.29Å; H309-C324 WeakPolarHBondContact CE1-CB 3.43Å; C317-C324 WeakPolarHBondContact CB-SG 3Å; C317-C324 WeakPolarHBondContact SG-CA 3.48Å; C317-C324 WeakPolarHBondContact SG-CB 3.1Å; C317-C324 PolarHBondContact SG-N 3.31Å; C317-C324 CovalentContact SG-SG 2.04Å; C317-C324 PolarHBondContact SG-SG 2.85Å; C324-S326 VanDerWaalsContact C-N 3.35Å |
| 325 | D | 63 | Low | 65.7 | Low | 81 Ų | 81 | 93 Ų | 93 | 43% | 0.433 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -19.9 | 178.8 | -61 | -28.8 | 0 | 0 | 0 | 112.6 | S323 T327 | S323-D325 PolarHBondContact O-N 2.75Å; D325-T327 PolarHBondContact O-N 3.48Å; D325-T327 VanDerWaalsContact O-N 3.08Å |
| 326 | S | 58.6 | Low | 64.6 | Low | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 49% | 0.487 | S | S | . | . | trans | -77.4 | 95.7 | 171.8 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | R316 C324 F328 | R316-S326 PolarHBondContact NH2-O 2.6Å; C324-S326 VanDerWaalsContact C-N 3.35Å; S326-F328 PolarHBondContact O-N 2.73Å | ||
| 327 | T | 56.9 | Low | 63.5 | Low | 76 Ų | 76 | 100.9 Ų | 100.9 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -57 | -14.5 | -179.7 | 39.2 | 0 | 0 | 0 | 0 | 114.5 | D325 | D325-T327 PolarHBondContact O-N 3.48Å; D325-T327 VanDerWaalsContact O-N 3.08Å |
| 328 | F | 56 | Low | 62.3 | Low | 129 Ų | 129 | 106.7 Ų | 106.7 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | trans | -107.3 | 84.9 | 173.4 | -85.2 | -94.5 | 0 | 0 | 0 | 110 | F232 S326 F330 | F232-F328 HydrophobicContact CD1-CD1 4.2Å; F232-F328 HydrophobicContact CD1-CE1 4.24Å; F232-F328 HydrophobicContact CE1-CD1 4.23Å; F232-F328 HydrophobicContact CE1-CE1 4.2Å; S326-F328 PolarHBondContact O-N 2.73Å; F328-F330 HydrophobicContact CB-CE2 4.32Å; F328-F330 PolarHBondContact O-N 2.95Å | ||
| 329 | S | 54.7 | Low | 60.9 | Low | 18 Ų | 18 | 108.8 Ų | 108.8 | 13% | 0.126 | 55% | 0.552 | C | S | . | * | trans | -77.4 | 101.6 | 159.5 | 45.7 | 0 | 0 | 0 | 0 | 108.6 | R316 K331 | R316-S329 VanDerWaalsContact NH1-CB 3.31Å; R316-S329 PolarHBondContact NH1-OG 2.7Å; S329-K331 PolarHBondContact O-N 2.86Å | ||
| 330 | F | 54.6 | Low | 59.8 | Low | 126 Ų | 126 | 110 Ų | 110 | 55% | 0.553 | 53% | 0.526 | S | S | * | . | trans | -61.4 | 105.5 | 151.7 | -60.2 | -82.4 | 0 | 0 | 0 | 106.5 | F232 F328 Y332 | F232-F330 HydrophobicContact CE1-CE1 4.16Å; F328-F330 HydrophobicContact CB-CE2 4.32Å; F328-F330 PolarHBondContact O-N 2.95Å; F330-Y332 PolarHBondContact O-N 3.39Å | ||
| 331 | K | 61.1 | Low | 58.2 | Low | 74 Ų | 74 | 110.1 Ų | 110.1 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | trans | -67.6 | 111.8 | 154.2 | 178.9 | 175.8 | 170.6 | -178.3 | 0 | 103.6 | L233 Y264 S329 I333 | L233-K331 HydrophobicContact CD1-CB 3.91Å; L233-K331 HydrophobicContact CD1-CD 4.1Å; Y264-K331 HydrophobicContact CE1-CD 4.25Å; Y264-K331 HydrophobicContact CE2-CD 3.98Å; Y264-K331 VanDerWaalsContact CZ-CE 3.47Å; Y264-K331 WeakPolarHBondContact OH-CE 3.17Å; Y264-K331 PolarHBondContact OH-NZ 2.63Å; S329-K331 PolarHBondContact O-N 2.86Å; K331-I333 PolarHBondContact O-N 3.2Å | ||
| 332 | Y | 47.8 | Very low | 57.3 | Low | 221 Ų | 221 | 98.4 Ų | 98.4 | 87% | 0.867 | 49% | 0.494 | S | S | * | . | trans | -50.7 | 108.5 | 169.3 | -62.2 | -88.8 | 0 | 0 | 0 | 106.7 | F330 | F330-Y332 PolarHBondContact O-N 3.39Š| ||
| 333 | I | 45.7 | Very low | 56.3 | Low | 68 Ų | 68 | 96 Ų | 96 | 35% | 0.349 | 48% | 0.48 | S | S | . | . | trans | -95.8 | 117.8 | 164.5 | -62.4 | 171.8 | 0 | 0 | 0 | 102.3 | R229 Q231 K331 | R229-I333 VanDerWaalsContact O-CD1 3.28Å; R229-I333 WeakPolarHBondContact O-CD1 3.47Å; Q231-I333 HydrophobicContact CB-CD1 3.66Å; K331-I333 PolarHBondContact O-N 3.2Å | ||
| 334 | I | 37.1 | Very low | 55.2 | Low | 231 Ų | 231 | 99.3 Ų | 99.3 | 100% | 1.185 | 49% | 0.486 | S | S | * | . | trans | -54.7 | 0 | 174.3 | -63.3 | 170.5 | 0 | 0 | 0 | 109.1 |
Retrieved 334 of 334 residues in 297.6 ms
(Link to these results)