| 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 | 35.8 | Very low | 50.1 | Low | 222 Ų | 222 | 138.8 Ų | 138.8 | 100% | 1.094 | 72% | 0.715 | S | S | * | * | 0 | 122.7 | 0 | -74.4 | -116.3 | 70.7 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 3.15Š| |||
| 2 | P | 44.5 | Very low | 50.1 | Low | 133 Ų | 133 | 136.2 Ų | 136.2 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -86.1 | 103 | -179.2 | 31.3 | -26.5 | 0 | 0 | 0 | 109.7 | ||||
| 3 | S | 46.2 | Very low | 50 | Low | 87 Ų | 87 | 132.1 Ų | 132.1 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | trans | -115.9 | -1.9 | 177.2 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | M1 | M1-S3 PolarHBondContact O-N 3.15Š| ||
| 4 | E | 50.2 | Low | 50.4 | Low | 176 Ų | 176 | 132.9 Ų | 132.9 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -85.6 | -16.9 | -172 | -73.5 | 178.4 | 163.2 | 0 | 0 | 115.4 | ||
| 5 | Q | 47.5 | Very low | 50.3 | Low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -86.6 | -20.5 | -173.2 | -153.3 | 173.9 | 9.1 | 0 | 0 | 114.3 | ||
| 6 | K | 49.2 | Very low | 49.9 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 76% | 0.761 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.6 | -31.8 | -179.1 | -80.2 | -174.3 | 175.6 | -178.6 | 0 | 113.1 | ||
| 7 | D | 50.5 | Low | 49.9 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 63% | 0.631 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.7 | -35.5 | -178.1 | -66.8 | -23.1 | 0 | 0 | 0 | 111.8 | I9 H10 E11 | D7-I9 PolarHBondContact O-N 3.4Å; D7-H10 PolarHBondContact O-N 3.18Å; D7-E11 PolarHBondContact O-N 2.98Å; D7-E11 VanDerWaalsContact O-N 3.12Å |
| 8 | S | 60.2 | Low | 49.3 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -64.6 | -37.9 | 179.3 | -175.3 | 0 | 0 | 0 | 0 | 113.2 | H10 E11 L12 | S8-H10 VanDerWaalsContact C-N 3.33Å; S8-H10 PolarHBondContact O-N 2.93Å; S8-E11 PolarHBondContact O-N 3.01Å; S8-L12 PolarHBondContact O-N 3.24Å; S8-L12 VanDerWaalsContact O-N 3.13Å |
| 9 | I | 56.5 | Low | 48.8 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 56% | 0.559 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.3 | -38.3 | 177.4 | -61.8 | 177 | 0 | 0 | 0 | 110.4 | D7 E11 L12 I13 | D7-I9 PolarHBondContact O-N 3.4Å; I9-E11 VanDerWaalsContact C-N 3.34Å; I9-E11 PolarHBondContact O-N 3.01Å; I9-L12 PolarHBondContact O-N 3.33Å; I9-I13 HydrophobicContact CG2-CD1 3.96Å; I9-I13 WeakPolarHBondContact O-CG1 3.3Å; I9-I13 PolarHBondContact O-N 2.79Å; I9-I13 VanDerWaalsContact O-N 3.14Å |
| 10 | H | 50.6 | Low | 48.3 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 67% | 0.671 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69 | -34.2 | -179.3 | -126.3 | -60.4 | 0 | 0 | 0 | 112.5 | D7 S8 K14 | D7-H10 PolarHBondContact O-N 3.18Å; S8-H10 VanDerWaalsContact C-N 3.33Å; S8-H10 PolarHBondContact O-N 2.93Å; H10-K14 PolarHBondContact O-N 3.07Å |
| 11 | E | 59.7 | Low | 47.6 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 59% | 0.593 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.3 | -38.5 | 175.8 | -163.4 | 167.7 | -167.8 | 0 | 0 | 112.1 | D7 S8 I9 K14 Q15 | D7-E11 PolarHBondContact O-N 2.98Å; D7-E11 VanDerWaalsContact O-N 3.12Å; S8-E11 PolarHBondContact O-N 3.01Å; I9-E11 VanDerWaalsContact C-N 3.34Å; I9-E11 PolarHBondContact O-N 3.01Å; E11-K14 PolarHBondContact O-N 3.04Å; E11-Q15 PolarHBondContact O-N 3.13Å |
| 12 | L | 50.7 | Low | 47.3 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 56% | 0.56 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.6 | -38.3 | 178.8 | -145.9 | 126.9 | 0 | 0 | 0 | 112.3 | S8 I9 K14 Q15 L16 | S8-L12 PolarHBondContact O-N 3.24Å; S8-L12 VanDerWaalsContact O-N 3.13Å; I9-L12 PolarHBondContact O-N 3.33Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-Q15 PolarHBondContact O-N 3.36Å; L12-L16 HydrophobicContact CD2-CD1 4.14Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 2.93Å; L12-L16 VanDerWaalsContact O-N 3.14Å |
| 13 | I | 48.3 | Very low | 46.7 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 43% | 0.426 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.3 | -34.6 | 174.3 | -66 | 169.1 | 0 | 0 | 0 | 111.2 | I9 K17 | I9-I13 HydrophobicContact CG2-CD1 3.96Å; I9-I13 WeakPolarHBondContact O-CG1 3.3Å; I9-I13 PolarHBondContact O-N 2.79Å; I9-I13 VanDerWaalsContact O-N 3.14Å; I13-K17 PolarHBondContact O-N 3.2Å; I13-K17 VanDerWaalsContact O-N 3.16Å |
| 14 | K | 55.9 | Low | 45.8 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 63% | 0.626 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69 | -42.7 | 177.5 | -161.5 | 179.5 | 179.9 | -170.2 | 0 | 111.5 | H10 E11 L12 L16 K17 D18 | H10-K14 PolarHBondContact O-N 3.07Å; E11-K14 PolarHBondContact O-N 3.04Å; L12-K14 VanDerWaalsContact C-N 3.32Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-L16 PolarHBondContact O-N 3.07Å; K14-K17 PolarHBondContact O-N 2.86Å; K14-D18 PolarHBondContact O-N 3.15Å |
| 15 | Q | 48.6 | Very low | 45 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.4 | -36.6 | 175.6 | -70.5 | -171.9 | 13.2 | 0 | 0 | 112.8 | E11 L12 D18 S19 | E11-Q15 PolarHBondContact O-N 3.13Å; L12-Q15 PolarHBondContact O-N 3.36Å; Q15-D18 PolarHBondContact O-N 3.42Å; Q15-S19 WeakPolarHBondContact O-CB 2.83Å; Q15-S19 PolarHBondContact O-N 2.8Å; Q15-S19 PolarHBondContact O-OG 3.2Å; Q15-S19 VanDerWaalsContact O-OG 3.13Å |
| 16 | L | 44.5 | Very low | 44 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 53% | 0.534 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69.2 | -33.1 | 176.4 | -76.5 | 166.5 | 0 | 0 | 0 | 113.1 | L12 K14 S19 T20 | L12-L16 HydrophobicContact CD2-CD1 4.14Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 2.93Å; L12-L16 VanDerWaalsContact O-N 3.14Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-L16 PolarHBondContact O-N 3.07Å; L16-S19 PolarHBondContact O-OG 3.14Å; L16-T20 PolarHBondContact O-N 3.27Å; L16-T20 PolarHBondContact O-OG1 3.06Å |
| 17 | K | 49.1 | Very low | 43.2 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 65% | 0.652 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.2 | -37.3 | 175.2 | -77.5 | -176.1 | 175.3 | -176.3 | 0 | 112.5 | I13 K14 | I13-K17 PolarHBondContact O-N 3.2Å; I13-K17 VanDerWaalsContact O-N 3.16Å; K14-K17 PolarHBondContact O-N 2.86Å |
| 18 | D | 40 | Very low | 42.2 | Very low | 110 Ų | 110 | 124 Ų | 124 | 59% | 0.588 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.2 | -30 | 179.3 | -70.8 | -18.9 | 0 | 0 | 0 | 112.6 | K14 Q15 | K14-D18 PolarHBondContact O-N 3.15Å; Q15-D18 PolarHBondContact O-N 3.42Å |
| 19 | S | 39.4 | Very low | 40.6 | Very low | 77 Ų | 77 | 125 Ų | 125 | 54% | 0.538 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -75.8 | -22.1 | 178.5 | 67.7 | 0 | 0 | 0 | 0 | 114 | Q15 L16 L21 | Q15-S19 WeakPolarHBondContact O-CB 2.83Å; Q15-S19 PolarHBondContact O-N 2.8Å; Q15-S19 PolarHBondContact O-OG 3.2Å; Q15-S19 VanDerWaalsContact O-OG 3.13Å; L16-S19 PolarHBondContact O-OG 3.14Å; S19-L21 PolarHBondContact O-N 3.11Å |
| 20 | T | 37.9 | Very low | 39.4 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -17.6 | 178.7 | -54 | 0 | 0 | 0 | 0 | 112.6 | L16 | L16-T20 PolarHBondContact O-N 3.27Å; L16-T20 PolarHBondContact O-OG1 3.06Å |
| 21 | L | 34.2 | Very low | 38.3 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 82% | 0.817 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 9.3 | -176.9 | -77 | 169.1 | 0 | 0 | 0 | 115.3 | S19 | S19-L21 PolarHBondContact O-N 3.11Š|
| 22 | K | 30.3 | Very low | 36.7 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | trans | -133.2 | 60 | 175.6 | -84.9 | -179.7 | 174.5 | 178 | 0 | 112.6 | ||||
| 23 | S | 30.8 | Very low | 35.6 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -110.9 | 87.9 | 143.8 | 60.8 | 0 | 0 | 0 | 0 | 107.7 | I25 | S23-I25 PolarHBondContact O-N 3.15Š| ||
| 24 | S | 28.3 | Very low | 34.7 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -61.6 | 108.2 | 162.6 | -174.1 | 0 | 0 | 0 | 0 | 105.9 | E26 | S24-E26 PolarHBondContact O-N 3.24Š| ||
| 25 | I | 32 | Very low | 33.2 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -63.6 | 92.1 | 168.6 | -65 | 162.9 | 0 | 0 | 0 | 105.3 | S23 N27 | S23-I25 PolarHBondContact O-N 3.15Å; I25-N27 WeakPolarHBondContact CG2-OD1 3.18Å; I25-N27 PolarHBondContact O-N 3.37Å | ||
| 26 | E | 28 | Very low | 32.4 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -67.8 | 92.3 | 165.7 | -168.8 | 171.4 | -170.6 | 0 | 0 | 105.6 | S24 V28 | S24-E26 PolarHBondContact O-N 3.24Å; E26-V28 PolarHBondContact O-N 3.15Å | ||
| 27 | N | 32.3 | Very low | 31.4 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -55.7 | 106.6 | 172.9 | -76 | -30.1 | 0 | 0 | 0 | 107.7 | I25 S29 | I25-N27 WeakPolarHBondContact CG2-OD1 3.18Å; I25-N27 PolarHBondContact O-N 3.37Å; N27-S29 PolarHBondContact O-N 3.19Å | ||
| 28 | V | 29.4 | Very low | 30.6 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | -58.7 | 107 | 170.8 | 176.3 | 0 | 0 | 0 | 0 | 107.3 | E26 M30 | E26-V28 PolarHBondContact O-N 3.15Å; V28-M30 PolarHBondContact O-N 2.92Å | ||
| 29 | S | 25.3 | Very low | 30.1 | Very low | 89 Ų | 89 | 143.7 Ų | 143.7 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | trans | -58.9 | 104.5 | 175.7 | -176.2 | 0 | 0 | 0 | 0 | 110 | N27 E31 | N27-S29 PolarHBondContact O-N 3.19Å; S29-E31 PolarHBondContact O-N 3Å | ||
| 30 | M | 32.2 | Very low | 29.6 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -90.6 | 68.1 | 162.6 | -74.6 | -80.5 | -80 | 0 | 0 | 108.1 | V28 K32 | V28-M30 PolarHBondContact O-N 2.92Å; M30-K32 PolarHBondContact O-N 2.92Å | ||
| 31 | E | 26.9 | Very low | 29.5 | Very low | 168 Ų | 168 | 150 Ų | 150 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -80.3 | 94.5 | 170.3 | -136.7 | 179.4 | -176.6 | 0 | 0 | 108.8 | S29 | S29-E31 PolarHBondContact O-N 3Š| ||
| 32 | K | 26.7 | Very low | 29.4 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -160.7 | 95.8 | 148.3 | -119.6 | 170.8 | -177.2 | 173.6 | 0 | 112.5 | M30 | M30-K32 PolarHBondContact O-N 2.92Š| ||
| 33 | N | 28 | Very low | 29.5 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 56.4 | 81.3 | 135.1 | -57.4 | -9.2 | 0 | 0 | 0 | 117.6 | ||||
| 34 | M | 29.6 | Very low | 29.5 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -119.9 | 87.4 | 140.6 | -76.3 | -64.3 | -144.2 | 0 | 0 | 108.4 | V36 | M34-V36 VanDerWaalsContact C-N 3.28Å; M34-V36 PolarHBondContact O-N 3.22Å | ||
| 35 | L | 24.7 | Very low | 29.6 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -62.6 | 87.2 | 166.9 | 179.6 | 80.1 | 0 | 0 | 0 | 108.3 | ||||
| 36 | V | 31.4 | Very low | 29.6 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -110.8 | 98.1 | 163.1 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | M34 N38 | M34-V36 VanDerWaalsContact C-N 3.28Å; M34-V36 PolarHBondContact O-N 3.22Å; V36-N38 PolarHBondContact O-N 3.41Å | ||
| 37 | K | 24 | Very low | 29.9 | Very low | 170 Ų | 170 | 153.6 Ų | 153.6 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -50.9 | 120.9 | 164.8 | -72.5 | 171.8 | 171.8 | 179.2 | 0 | 108.1 | ||||
| 38 | N | 31.3 | Very low | 29.9 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -138.1 | 124.8 | 151.3 | -87.9 | -26.9 | 0 | 0 | 0 | 107.2 | V36 | V36-N38 PolarHBondContact O-N 3.41Š| ||
| 39 | D | 29.8 | Very low | 30.1 | Very low | 155 Ų | 155 | 156.5 Ų | 156.5 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -64.1 | 142.4 | -164 | -66 | -57.6 | 0 | 0 | 0 | 113.4 | I41 | D39-I41 PolarHBondContact O-N 3.25Š| ||
| 40 | N | 29.3 | Very low | 30.5 | Very low | 163 Ų | 163 | 164.1 Ų | 164.1 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -52.4 | 116.6 | 164.8 | -75 | -38.6 | 0 | 0 | 0 | 111 | ||||
| 41 | I | 34.3 | Very low | 30.6 | Very low | 158 Ų | 158 | 164.8 Ų | 164.8 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -134.9 | 102.3 | 140.6 | -59.4 | -178.4 | 0 | 0 | 0 | 108.3 | D39 | D39-I41 PolarHBondContact O-N 3.25Š| ||
| 42 | S | 32.1 | Very low | 31 | Very low | 107 Ų | 107 | 162.2 Ų | 162.2 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -47.4 | 127.9 | 163.4 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 43 | K | 32.7 | Very low | 31.3 | Very low | 194 Ų | 194 | 164.9 Ų | 164.9 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -139 | 115.1 | 139.1 | -74.9 | -154.7 | 175.1 | -173.8 | 0 | 109 | D45 | K43-D45 PolarHBondContact O-N 3.31Å; K43-D45 VanDerWaalsContact O-N 3.07Å | ||
| 44 | E | 30.4 | Very low | 31.9 | Very low | 182 Ų | 182 | 167.3 Ų | 167.3 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -53.1 | 104.4 | 169.4 | -74.1 | 168.6 | 126.8 | 0 | 0 | 110.2 | N46 | E44-N46 PolarHBondContact O-N 3.38Š| ||
| 45 | D | 31.5 | Very low | 32.3 | Very low | 154 Ų | 154 | 164.2 Ų | 164.2 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -75.6 | 101.8 | 162.5 | -92.3 | -29.9 | 0 | 0 | 0 | 108.5 | K43 L47 | K43-D45 PolarHBondContact O-N 3.31Å; K43-D45 VanDerWaalsContact O-N 3.07Å; D45-L47 PolarHBondContact O-N 3.04Å | ||
| 46 | N | 32.2 | Very low | 32.7 | Very low | 140 Ų | 140 | 164.5 Ų | 164.5 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | trans | -56.8 | 99.8 | 167 | -80.6 | -76.4 | 0 | 0 | 0 | 109.7 | E44 T48 | E44-N46 PolarHBondContact O-N 3.38Å; N46-T48 PolarHBondContact O-N 2.85Å; N46-T48 PolarHBondContact O-OG1 3.46Å | ||
| 47 | L | 33.7 | Very low | 32.9 | Very low | 175 Ų | 175 | 167.3 Ų | 167.3 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -66.1 | 70.1 | 170 | -72.8 | 164.5 | 0 | 0 | 0 | 110.8 | D45 K49 | D45-L47 PolarHBondContact O-N 3.04Å; L47-K49 PolarHBondContact O-N 3.33Å; L47-K49 VanDerWaalsContact O-N 3.17Å | ||
| 48 | T | 32.5 | Very low | 33.7 | Very low | 125 Ų | 125 | 168.5 Ų | 168.5 | 77% | 0.767 | 83% | 0.834 | S | S | * | * | trans | -77 | 99.9 | 165.5 | 25.8 | 0 | 0 | 0 | 0 | 108.9 | N46 R50 | N46-T48 PolarHBondContact O-N 2.85Å; N46-T48 PolarHBondContact O-OG1 3.46Å; T48-R50 PolarHBondContact O-N 3.07Å | ||
| 49 | K | 34.3 | Very low | 33.9 | Very low | 203 Ų | 203 | 170.3 Ų | 170.3 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | trans | 8.3 | 73.5 | 155.3 | -66.6 | 177.9 | 177.8 | 176.1 | 0 | 115.1 | L47 K51 | L47-K49 PolarHBondContact O-N 3.33Å; L47-K49 VanDerWaalsContact O-N 3.17Å; K49-K51 PolarHBondContact O-N 3.03Å | ||
| 50 | R | 32.1 | Very low | 34.3 | Very low | 249 Ų | 249 | 169.1 Ų | 169.1 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | trans | -77.6 | 106.5 | 169.1 | -134 | 176.8 | -176.2 | 173.5 | 1.5 | 106.9 | T48 S52 | T48-R50 PolarHBondContact O-N 3.07Å; R50-S52 PolarHBondContact O-N 3.41Å | ||
| 51 | K | 35.5 | Very low | 34.6 | Very low | 195 Ų | 195 | 165.2 Ų | 165.2 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -43.5 | 125.9 | 175.9 | -70.3 | 177.3 | 176.4 | 178.5 | 0 | 109.6 | K49 R53 | K49-K51 PolarHBondContact O-N 3.03Å; K51-R53 PolarHBondContact O-N 3.4Å | ||
| 52 | S | 35.6 | Very low | 35.3 | Very low | 115 Ų | 115 | 166 Ų | 166 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -57.3 | 103.2 | 175 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | R50 K54 | R50-S52 PolarHBondContact O-N 3.41Å; S52-K54 PolarHBondContact O-N 3.09Å; S52-K54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | R | 31.8 | Very low | 35.6 | Very low | 239 Ų | 239 | 165.8 Ų | 165.8 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -71.7 | 106.4 | 163 | -76.1 | -176.4 | 173.3 | -177.4 | -2.6 | 105.5 | K51 | K51-R53 PolarHBondContact O-N 3.4Š| ||
| 54 | K | 40.5 | Very low | 35.6 | Very low | 188 Ų | 188 | 163.7 Ų | 163.7 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -48.7 | 130.5 | 169 | -74.8 | -179.1 | 176.1 | -178.6 | 0 | 107.8 | S52 L56 | S52-K54 PolarHBondContact O-N 3.09Å; S52-K54 VanDerWaalsContact O-N 3.15Å; K54-L56 PolarHBondContact O-N 2.87Å | ||
| 55 | P | 39 | Very low | 36.1 | Very low | 116 Ų | 116 | 161.5 Ų | 161.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -59.8 | 125.2 | 179.8 | 19.9 | -27.1 | 0 | 0 | 0 | 108.7 | M57 | P55-M57 VanDerWaalsContact C-N 3.32Å; P55-M57 PolarHBondContact O-N 3.26Å | ||
| 56 | L | 33.4 | Very low | 36.3 | Very low | 166 Ų | 166 | 161.5 Ų | 161.5 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -65 | 98 | 171 | -159.1 | 84.1 | 0 | 0 | 0 | 105.8 | K54 K58 | K54-L56 PolarHBondContact O-N 2.87Å; L56-K58 PolarHBondContact O-N 2.86Å | ||
| 57 | M | 35.2 | Very low | 36.5 | Very low | 171 Ų | 171 | 161.7 Ų | 161.7 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | -60.5 | 106.8 | 174.5 | -67.8 | -155.7 | 86.5 | 0 | 0 | 106.8 | P55 Q59 | P55-M57 VanDerWaalsContact C-N 3.32Å; P55-M57 PolarHBondContact O-N 3.26Å; M57-Q59 PolarHBondContact O-N 3.22Å | ||
| 58 | K | 40.8 | Very low | 36.7 | Very low | 194 Ų | 194 | 163.1 Ų | 163.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -60.1 | 110.2 | 165.1 | -69.3 | -177.4 | 178.5 | -179 | 0 | 105.2 | L56 L60 | L56-K58 PolarHBondContact O-N 2.86Å; K58-L60 PolarHBondContact O-N 2.92Å; K58-L60 VanDerWaalsContact O-N 3.15Å | ||
| 59 | Q | 35.1 | Very low | 36.9 | Very low | 187 Ų | 187 | 166.7 Ų | 166.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 121.9 | 170.1 | -80.5 | 177 | -16 | 0 | 0 | 107.1 | M57 | M57-Q59 PolarHBondContact O-N 3.22Š|
| 60 | L | 38.1 | Very low | 37.3 | Very low | 130 Ų | 130 | 163.1 Ų | 163.1 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59 | 133 | 169.4 | -121.8 | 89.2 | 0 | 0 | 0 | 107 | K58 E62 | K58-L60 PolarHBondContact O-N 2.92Å; K58-L60 VanDerWaalsContact O-N 3.15Å; L60-E62 PolarHBondContact O-N 3.15Å; L60-E62 VanDerWaalsContact O-N 3.15Å |
| 61 | P | 36 | Very low | 37.6 | Very low | 82 Ų | 82 | 158.8 Ų | 158.8 | 53% | 0.532 | 78% | 0.776 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 123.1 | 175.8 | -20.8 | 31.3 | 0 | 0 | 0 | 109.7 | T63 M64 | P61-T63 PolarHBondContact O-N 3.3Å; P61-M64 PolarHBondContact O-N 3.45Å; P61-M64 VanDerWaalsContact O-N 3.13Å |
| 62 | E | 48.6 | Very low | 37.9 | Very low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -52.5 | -15.4 | 177.9 | -71.6 | 176.8 | 156.9 | 0 | 0 | 113.3 | L60 M64 L65 | L60-E62 PolarHBondContact O-N 3.15Å; L60-E62 VanDerWaalsContact O-N 3.15Å; E62-M64 VanDerWaalsContact C-N 3.29Å; E62-M64 PolarHBondContact O-N 2.91Å; E62-L65 PolarHBondContact O-N 3.41Å |
| 63 | T | 38.9 | Very low | 38.5 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -65.9 | -24.7 | 178.1 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | P61 | P61-T63 PolarHBondContact O-N 3.3Š|
| 64 | M | 32.7 | Very low | 39.4 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -83.8 | -15 | -179.8 | -68.2 | -167.4 | 73.2 | 0 | 0 | 114.1 | P61 E62 Q66 | P61-M64 PolarHBondContact O-N 3.45Å; P61-M64 VanDerWaalsContact O-N 3.13Å; E62-M64 VanDerWaalsContact C-N 3.29Å; E62-M64 PolarHBondContact O-N 2.91Å; M64-Q66 VanDerWaalsContact C-N 3.33Å |
| 65 | L | 40.2 | Very low | 40.8 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -93.6 | 11.7 | 176.9 | -71.9 | 171.5 | 0 | 0 | 0 | 113 | E62 N67 | E62-L65 PolarHBondContact O-N 3.41Å; L65-N67 PolarHBondContact O-N 2.97Å |
| 66 | Q | 35.6 | Very low | 42.8 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -77.1 | 81.8 | 167.8 | -64.3 | -164.7 | 7.9 | 0 | 0 | 108.8 | M64 K68 | M64-Q66 VanDerWaalsContact C-N 3.33Å; Q66-K68 PolarHBondContact O-N 3.33Å | ||
| 67 | N | 37.5 | Very low | 44.8 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | trans | -43 | 116.2 | 164.4 | -71.9 | -30.7 | 0 | 0 | 0 | 108.1 | L65 R69 | L65-N67 PolarHBondContact O-N 2.97Å; N67-R69 PolarHBondContact O-N 2.89Å | ||
| 68 | K | 37.9 | Very low | 46.9 | Very low | 204 Ų | 204 | 130.7 Ų | 130.7 | 89% | 0.887 | 67% | 0.671 | S | S | * | * | trans | -53.5 | 102 | 177.3 | -90.6 | -176.4 | 174.5 | -179.2 | 0 | 108.1 | Q66 I70 | Q66-K68 PolarHBondContact O-N 3.33Å; K68-I70 PolarHBondContact O-N 3.48Å | ||
| 69 | R | 35.6 | Very low | 48.6 | Very low | 201 Ų | 201 | 123.9 Ų | 123.9 | 76% | 0.758 | 64% | 0.644 | S | S | * | * | trans | -58.2 | 119.5 | 177 | -106.5 | 173.6 | 169.7 | 169.6 | -5.8 | 108.3 | N67 N71 | N67-R69 PolarHBondContact O-N 2.89Å; R69-N71 PolarHBondContact O-N 2.72Å | ||
| 70 | I | 43.7 | Very low | 51 | Low | 128 Ų | 128 | 122.6 Ų | 122.6 | 66% | 0.656 | 64% | 0.643 | S | S | * | * | trans | -74.4 | 112.8 | 158.3 | -20.5 | 177.4 | 0 | 0 | 0 | 104.6 | K68 G72 S73 | K68-I70 PolarHBondContact O-N 3.48Å; I70-G72 PolarHBondContact O-N 2.93Å; I70-S73 PolarHBondContact O-N 3.49Å; I70-S73 PolarHBondContact O-OG 3.32Å; I70-S73 VanDerWaalsContact O-OG 3.07Å | ||
| 71 | N | 38.2 | Very low | 52.7 | Low | 158 Ų | 158 | 123.9 Ų | 123.9 | 85% | 0.845 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 118 | 177.3 | -76.1 | -20.9 | 0 | 0 | 0 | 108.7 | R69 | R69-N71 PolarHBondContact O-N 2.72Š|
| 72 | G | 42.4 | Very low | 54.6 | Low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100 | -12.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | I70 G74 | I70-G72 PolarHBondContact O-N 2.93Å; G72-G74 PolarHBondContact O-N 3.03Å |
| 73 | S | 46.7 | Very low | 55.7 | Low | 49 Ų | 49 | 117.9 Ų | 117.9 | 34% | 0.343 | 63% | 0.627 | S | S | . | * | trans | -72.7 | 114.6 | 165.9 | 66.1 | 0 | 0 | 0 | 0 | 107.6 | I70 | I70-S73 PolarHBondContact O-N 3.49Å; I70-S73 PolarHBondContact O-OG 3.32Å; I70-S73 VanDerWaalsContact O-OG 3.07Å | ||
| 74 | G | 52 | Low | 57.5 | Low | 44 Ų | 44 | 117.5 Ų | 117.5 | 45% | 0.454 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -48.3 | 172.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G72 P88 | G72-G74 PolarHBondContact O-N 3.03Å; G74-P88 WeakPolarHBondContact O-CG 3.41Å |
| 75 | K | 69.2 | Low | 59.6 | Low | 160 Ų | 160 | 115.4 Ų | 115.4 | 70% | 0.696 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 145 | 174.3 | -69.5 | -178.3 | 176.5 | -177 | 0 | 110 | ||
| 76 | L | 80.5 | Confident | 61.1 | Low | 98 Ų | 98 | 111.4 Ų | 111.4 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 131.4 | 156.9 | -62 | 170.2 | 0 | 0 | 0 | 107.1 | F78 L84 V87 | L76-F78 HydrophobicContact CB-CE2 3.71Å; L76-F78 HydrophobicContact CB-CZ 4.1Å; L76-F78 HydrophobicContact CD1-CZ 4.4Å; L76-L84 HydrophobicContact CB-CD1 4.08Å; L76-L84 HydrophobicContact CD2-CD1 3.96Å; L76-V87 HydrophobicContact CD2-CB 4.35Å; L76-V87 HydrophobicContact CD2-CG1 3.93Å |
| 77 | V | 75.2 | Confident | 62.9 | Low | 62 Ų | 62 | 108.6 Ų | 108.6 | 38% | 0.376 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.7 | 177 | -168.9 | 0 | 0 | 0 | 0 | 107.9 | I85 S86 | V77-I85 HydrophobicContact CB-CD1 4.21Å; V77-I85 HydrophobicContact CB-CG1 3.88Å; V77-I85 HydrophobicContact CG1-CD1 3.56Å; V77-I85 HydrophobicContact CG1-CG1 3.76Å; V77-I85 WeakPolarHBondContact O-CG1 3.3Å; V77-I85 PolarHBondContact O-N 3.05Å; V77-S86 VanDerWaalsContact CB-OG 3.27Å; V77-S86 WeakPolarHBondContact CB-OG 3.27Å; V77-S86 WeakPolarHBondContact CG2-OG 3.44Å; V77-S86 PolarHBondContact N-O 3.41Å; V77-S86 VanDerWaalsContact N-O 3.09Å; V77-S86 PolarHBondContact O-N 3Å |
| 78 | F | 79.9 | Confident | 64.3 | Low | 113 Ų | 113 | 103.1 Ų | 103.1 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.1 | 152.3 | 177.9 | -59.1 | -93.9 | 0 | 0 | 0 | 109.5 | L76 G82 N83 L84 | L76-F78 HydrophobicContact CB-CE2 3.71Å; L76-F78 HydrophobicContact CB-CZ 4.1Å; L76-F78 HydrophobicContact CD1-CZ 4.4Å; F78-G82 WeakPolarHBondContact CD1-O 3.47Å; F78-N83 CarbonylContact C-O 3.56Å; F78-N83 WeakPolarHBondContact CA-O 3.4Å; F78-L84 HydrophobicContact CD1-CB 4.33Å; F78-L84 HydrophobicContact CD1-CD1 4.37Å; F78-L84 HydrophobicContact CE1-CB 4.19Å; F78-L84 HydrophobicContact CE1-CD1 3.96Å; F78-L84 HydrophobicContact CZ-CD1 4.08Å |
| 79 | D | 76.8 | Confident | 65.2 | Low | 52 Ų | 52 | 101.4 Ų | 101.4 | 28% | 0.278 | 55% | 0.552 | S | S | . | * | trans | -78.2 | -177.8 | 165.7 | 64.4 | 17.4 | 0 | 0 | 0 | 111.3 | E81 G82 N83 I85 | D79-E81 PolarHBondContact O-N 3.17Å; D79-E81 WeakPolarHBondContact OD1-CA 3.49Å; D79-E81 PolarHBondContact OD1-N 2.94Å; D79-G82 PolarHBondContact O-N 3.33Å; D79-G82 PolarHBondContact OD1-N 2.88Å; D79-N83 PolarHBondContact N-O 2.75Å; D79-N83 PolarHBondContact OD1-N 2.72Å; D79-N83 PolarHBondContact OD1-ND2 2.99Å; D79-N83 WeakPolarHBondContact OD2-CB 3.19Å; D79-N83 PolarHBondContact OD2-ND2 2.9Å; D79-I85 HydrophobicContact CB-CG2 3.86Å | ||
| 80 | D | 84.5 | Confident | 66.1 | Low | 160 Ų | 160 | 99.2 Ų | 99.2 | 86% | 0.856 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -16.5 | 177.8 | 56.8 | -30.4 | 0 | 0 | 0 | 113.9 | ||
| 81 | E | 74.7 | Confident | 66.2 | Low | 156 Ų | 156 | 101.9 Ų | 101.9 | 73% | 0.729 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -7.5 | 174.2 | -65.3 | 177.1 | -179.7 | 0 | 0 | 112.6 | D79 N83 | D79-E81 PolarHBondContact O-N 3.17Å; D79-E81 WeakPolarHBondContact OD1-CA 3.49Å; D79-E81 PolarHBondContact OD1-N 2.94Å; E81-N83 WeakPolarHBondContact CB-ND2 3.13Å; E81-N83 PolarHBondContact OE2-ND2 2.91Å |
| 82 | G | 75.4 | Confident | 66.5 | Low | 50 Ų | 50 | 100.1 Ų | 100.1 | 52% | 0.515 | 56% | 0.555 | S | S | . | * | S | Bend | trans | 88.6 | 8.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F78 D79 | F78-G82 WeakPolarHBondContact CD1-O 3.47Å; D79-G82 PolarHBondContact O-N 3.33Å; D79-G82 PolarHBondContact OD1-N 2.88Å |
| 83 | N | 72 | Confident | 66.4 | Low | 82 Ų | 82 | 102.4 Ų | 102.4 | 44% | 0.439 | 55% | 0.554 | S | S | . | * | trans | -78.9 | 142.8 | 176.3 | -48.5 | -67 | 0 | 0 | 0 | 110.9 | F78 D79 E81 I85 | F78-N83 CarbonylContact C-O 3.56Å; F78-N83 WeakPolarHBondContact CA-O 3.4Å; D79-N83 PolarHBondContact N-O 2.75Å; D79-N83 PolarHBondContact OD1-N 2.72Å; D79-N83 PolarHBondContact OD1-ND2 2.99Å; D79-N83 WeakPolarHBondContact OD2-CB 3.19Å; D79-N83 PolarHBondContact OD2-ND2 2.9Å; E81-N83 WeakPolarHBondContact CB-ND2 3.13Å; E81-N83 PolarHBondContact OE2-ND2 2.91Å; N83-I85 PolarHBondContact O-N 2.94Å | ||
| 84 | L | 76.1 | Confident | 65.9 | Low | 93 Ų | 93 | 106.3 Ų | 106.3 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 113 | 177.2 | -178.8 | 67.3 | 0 | 0 | 0 | 110.6 | L76 F78 S86 V87 | L76-L84 HydrophobicContact CB-CD1 4.08Å; L76-L84 HydrophobicContact CD2-CD1 3.96Å; F78-L84 HydrophobicContact CD1-CB 4.33Å; F78-L84 HydrophobicContact CD1-CD1 4.37Å; F78-L84 HydrophobicContact CE1-CB 4.19Å; F78-L84 HydrophobicContact CE1-CD1 3.96Å; F78-L84 HydrophobicContact CZ-CD1 4.08Å; L84-S86 WeakPolarHBondContact CD1-O 3.24Å; L84-V87 HydrophobicContact CD1-CG1 4.39Å; L84-V87 HydrophobicContact CD2-CG1 3.7Å; L84-V87 HydrophobicContact CG-CG1 4.31Å |
| 85 | I | 77.6 | Confident | 65.2 | Low | 105 Ų | 105 | 110.8 Ų | 110.8 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | -23.8 | -179.8 | 57.9 | 163.1 | 0 | 0 | 0 | 113.7 | V77 D79 N83 | V77-I85 HydrophobicContact CB-CD1 4.21Å; V77-I85 HydrophobicContact CB-CG1 3.88Å; V77-I85 HydrophobicContact CG1-CD1 3.56Å; V77-I85 HydrophobicContact CG1-CG1 3.76Å; V77-I85 WeakPolarHBondContact O-CG1 3.3Å; V77-I85 PolarHBondContact O-N 3.05Å; D79-I85 HydrophobicContact CB-CG2 3.86Å; N83-I85 PolarHBondContact O-N 2.94Å |
| 86 | S | 70.8 | Confident | 63.5 | Low | 52 Ų | 52 | 109.1 Ų | 109.1 | 36% | 0.364 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -154.2 | 145.2 | 171.7 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | V77 L84 | V77-S86 VanDerWaalsContact CB-OG 3.27Å; V77-S86 WeakPolarHBondContact CB-OG 3.27Å; V77-S86 WeakPolarHBondContact CG2-OG 3.44Å; V77-S86 PolarHBondContact N-O 3.41Å; V77-S86 VanDerWaalsContact N-O 3.09Å; V77-S86 PolarHBondContact O-N 3Å; L84-S86 WeakPolarHBondContact CD1-O 3.24Å |
| 87 | V | 74.8 | Confident | 61.3 | Low | 95 Ų | 95 | 113.4 Ų | 113.4 | 58% | 0.576 | 60% | 0.598 | S | S | * | * | trans | -107.2 | 145.9 | 170.6 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | L76 L84 K89 | L76-V87 HydrophobicContact CD2-CB 4.35Å; L76-V87 HydrophobicContact CD2-CG1 3.93Å; L84-V87 HydrophobicContact CD1-CG1 4.39Å; L84-V87 HydrophobicContact CD2-CG1 3.7Å; L84-V87 HydrophobicContact CG-CG1 4.31Å; V87-K89 PolarHBondContact O-N 3.33Å | ||
| 88 | P | 65.4 | Low | 59.1 | Low | 30 Ų | 30 | 118.4 Ų | 118.4 | 20% | 0.195 | 62% | 0.617 | C | S | . | * | trans | -56.9 | 131.9 | 172.7 | -26.6 | 37.3 | 0 | 0 | 0 | 111.5 | G74 L90 | G74-P88 WeakPolarHBondContact O-CG 3.41Å; P88-L90 PolarHBondContact O-N 2.83Å; P88-L90 VanDerWaalsContact O-N 3.15Å | ||
| 89 | K | 57.7 | Low | 56.6 | Low | 169 Ų | 169 | 119.2 Ų | 119.2 | 74% | 0.735 | 63% | 0.627 | S | S | * | * | trans | -67 | 115.7 | 167.6 | -77 | -175.2 | 178.6 | 178.2 | 0 | 108.5 | V87 Y91 | V87-K89 PolarHBondContact O-N 3.33Å; K89-Y91 HydrophobicContact CB-CE2 4.34Å; K89-Y91 PolarHBondContact O-N 3.2Å | ||
| 90 | L | 54.6 | Low | 54.4 | Low | 155 Ų | 155 | 124.8 Ų | 124.8 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | trans | -73.1 | 108 | 168.6 | -62.2 | 177.8 | 0 | 0 | 0 | 107.3 | P88 | P88-L90 PolarHBondContact O-N 2.83Å; P88-L90 VanDerWaalsContact O-N 3.15Å | ||
| 91 | Y | 45.3 | Very low | 51.8 | Low | 184 Ų | 184 | 122.1 Ų | 122.1 | 72% | 0.722 | 65% | 0.645 | S | S | * | * | trans | -75.7 | 134.7 | 167.1 | -67.1 | -83.9 | 0 | 0 | 0 | 108.2 | K89 V93 | K89-Y91 HydrophobicContact CB-CE2 4.34Å; K89-Y91 PolarHBondContact O-N 3.2Å; Y91-V93 PolarHBondContact O-N 3.24Å; Y91-V93 VanDerWaalsContact O-N 3.11Å | ||
| 92 | P | 44.5 | Very low | 49.8 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | trans | -58.8 | 121.4 | 172.3 | 23.5 | -30.2 | 0 | 0 | 0 | 108.2 | N94 | P92-N94 PolarHBondContact O-N 3.26Š| ||
| 93 | V | 40.1 | Very low | 47.4 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | -62.6 | 108.7 | 169.9 | 176.2 | 0 | 0 | 0 | 0 | 106.2 | Y91 N95 | Y91-V93 PolarHBondContact O-N 3.24Å; Y91-V93 VanDerWaalsContact O-N 3.11Å; V93-N95 VanDerWaalsContact CG1-OD1 3.3Å; V93-N95 WeakPolarHBondContact CG1-OD1 3.43Å; V93-N95 PolarHBondContact O-N 3.31Å | ||
| 94 | N | 37.2 | Very low | 45.4 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -70.4 | 98.5 | 172 | -165.8 | 5.7 | 0 | 0 | 0 | 107 | P92 N96 | P92-N94 PolarHBondContact O-N 3.26Å; N94-N96 PolarHBondContact O-N 2.85Å | ||
| 95 | N | 36 | Very low | 42.9 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | trans | -68.4 | 12.8 | -178.1 | -85.5 | -5.3 | 0 | 0 | 0 | 114.1 | V93 K97 | V93-N95 VanDerWaalsContact CG1-OD1 3.3Å; V93-N95 WeakPolarHBondContact CG1-OD1 3.43Å; V93-N95 PolarHBondContact O-N 3.31Å; N95-K97 PolarHBondContact O-N 3.01Å | ||
| 96 | N | 35.3 | Very low | 40.6 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | trans | -97.3 | 92.3 | 178.5 | -74.8 | -22 | 0 | 0 | 0 | 110.8 | N94 | N94-N96 PolarHBondContact O-N 2.85Š| ||
| 97 | K | 32.7 | Very low | 38.5 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | 54 | 120.5 | 137.8 | -66.8 | -178.3 | 177 | -179.2 | 0 | 118.9 | N95 | N95-K97 PolarHBondContact O-N 3.01Š| ||
| 98 | Q | 28.8 | Very low | 36.1 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | 71.7 | 114.5 | 146.3 | -62.1 | -158.4 | -75.2 | 0 | 0 | 118.3 | ||||
| 99 | D | 28.5 | Very low | 34.3 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | 62 | 128.1 | 127.7 | -62.7 | -36.5 | 0 | 0 | 0 | 119.9 | |||||
| 100 | E | 30.6 | Very low | 32.8 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 81.4 | 113.8 | 150.6 | -67.5 | 179 | 177.5 | 0 | 0 | 119.5 | ||||
| 101 | S | 29.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 56.3 | 100.3 | 149.3 | 59.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 102 | F | 32 | Very low | 30.9 | Very low | 207 Ų | 207 | 138 Ų | 138 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | trans | -109.8 | 90.4 | 156.1 | -71.5 | -78 | 0 | 0 | 0 | 109.3 | ||||
| 103 | T | 25.6 | Very low | 30.3 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -68.2 | 129.5 | 154.3 | 42.3 | 0 | 0 | 0 | 0 | 108.1 | D105 | T103-D105 PolarHBondContact O-N 3.26Å; T103-D105 VanDerWaalsContact O-N 3.15Å | ||
| 104 | T | 30.4 | Very low | 30.1 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -78.3 | 92 | 177.8 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 105 | D | 24.6 | Very low | 29.8 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -104.3 | 135.5 | 169.3 | -75.2 | -38.7 | 0 | 0 | 0 | 111.7 | T103 | T103-D105 PolarHBondContact O-N 3.26Å; T103-D105 VanDerWaalsContact O-N 3.15Å | ||
| 106 | S | 27.4 | Very low | 29.5 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -53.5 | 168.1 | -175.4 | -53.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 107 | H | 27.1 | Very low | 29.3 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | 144.8 | 132.3 | 147.7 | -68.6 | -43.9 | 0 | 0 | 0 | 108 | ||||
| 108 | S | 25.4 | Very low | 29.2 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -175.5 | 144.3 | 8.8 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 109 | N | 28 | Very low | 29.2 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 36.6 | 134.8 | 140.1 | -67.8 | -4.1 | 0 | 0 | 0 | 124.6 | ||||
| 110 | G | 26.1 | Very low | 29.5 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 92.3 | 124.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 111 | T | 28.3 | Very low | 29.5 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | cis | -166.6 | 152.3 | 40.4 | -39.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 112 | D | 31.6 | Very low | 29.6 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -49.7 | 137.2 | -177 | -59 | -60.4 | 0 | 0 | 0 | 115.5 | ||||
| 113 | N | 31.8 | Very low | 29.3 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 39.2 | 96.5 | 134.4 | -51.3 | -28.3 | 0 | 0 | 0 | 117.4 | ||||
| 114 | N | 34.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | -161.2 | 128 | 113.2 | -91.5 | -28.2 | 0 | 0 | 0 | 110.9 | L116 | N114-L116 VanDerWaalsContact C-N 3.35Å; N114-L116 PolarHBondContact O-N 2.97Å | |||
| 115 | I | 31.4 | Very low | 29.4 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -56.2 | 89.3 | -179.8 | -60.8 | 154.4 | 0 | 0 | 0 | 109.1 | G117 | I115-G117 VanDerWaalsContact C-N 3.29Š| ||
| 116 | L | 30.3 | Very low | 29.7 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -93.9 | 81.5 | 149.1 | -152.6 | 72.8 | 0 | 0 | 0 | 104.4 | N114 N118 | N114-L116 VanDerWaalsContact C-N 3.35Å; N114-L116 PolarHBondContact O-N 2.97Å; L116-N118 PolarHBondContact O-N 2.87Å | ||
| 117 | G | 30.6 | Very low | 29.7 | Very low | 56 Ų | 56 | 144.5 Ų | 144.5 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | trans | -50 | 111.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | I115 E119 | I115-G117 VanDerWaalsContact C-N 3.29Å; G117-E119 PolarHBondContact O-N 3.17Å | ||
| 118 | N | 31.3 | Very low | 29.7 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -59.5 | 96.1 | 176.5 | -73.2 | -25 | 0 | 0 | 0 | 105.7 | L116 I120 | L116-N118 PolarHBondContact O-N 2.87Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 2.98Å | ||
| 119 | E | 28.2 | Very low | 29.8 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -62.2 | 98.1 | 175.5 | -159.5 | 172.7 | -155.9 | 0 | 0 | 104.9 | G117 P121 | G117-E119 PolarHBondContact O-N 3.17Å; E119-P121 WeakPolarHBondContact O-CD 3.27Å | ||
| 120 | I | 36.1 | Very low | 29.8 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -70.7 | 114.6 | 176 | -60 | 174.1 | 0 | 0 | 0 | 104.7 | N118 I122 | N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 2.98Å; I120-I122 PolarHBondContact O-N 3Å | ||
| 121 | P | 29.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 150 Ų | 150 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -65.4 | 107.1 | 179.8 | 25.5 | -31 | 0 | 0 | 0 | 108.2 | E119 E123 | E119-P121 WeakPolarHBondContact O-CD 3.27Å; P121-E123 PolarHBondContact O-N 3.15Å; P121-E123 VanDerWaalsContact O-N 3.1Å | ||
| 122 | I | 31.3 | Very low | 30.1 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | trans | -73.8 | 100.3 | 172.5 | -59.4 | 175.4 | 0 | 0 | 0 | 106.5 | I120 W124 | I120-I122 PolarHBondContact O-N 3Å; I122-W124 HydrophobicContact CG2-CD2 4.21Å; I122-W124 HydrophobicContact CG2-CG 4.41Å; I122-W124 HydrophobicContact CG2-CZ2 4.18Å; I122-W124 PolarHBondContact O-N 2.85Å | ||
| 123 | E | 25.4 | Very low | 30.2 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -69.6 | 96.3 | 170.8 | -169.8 | -170.5 | -151.8 | 0 | 0 | 108.8 | P121 R125 | P121-E123 PolarHBondContact O-N 3.15Å; P121-E123 VanDerWaalsContact O-N 3.1Å; E123-R125 PolarHBondContact O-N 3.2Å; E123-R125 IonicContact OE2-CZ 3.97Å; E123-R125 IonicContact OE2-NE 3.15Å; E123-R125 IonicContact OE2-NH2 3.81Å; E123-R125 PolarHBondContact OE2-NH2 3.44Å; E123-R125 VanDerWaalsContact OE2-NH2 3.15Å | ||
| 124 | W | 31.2 | Very low | 30.3 | Very low | 205 Ų | 205 | 147 Ų | 147 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -71.6 | 118.4 | 172.3 | -67.2 | 94.5 | 0 | 0 | 0 | 110.2 | I122 | I122-W124 HydrophobicContact CG2-CD2 4.21Å; I122-W124 HydrophobicContact CG2-CG 4.41Å; I122-W124 HydrophobicContact CG2-CZ2 4.18Å; I122-W124 PolarHBondContact O-N 2.85Å | ||
| 125 | R | 27 | Very low | 30.7 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -94.3 | 113.3 | 168.2 | -62.9 | -174.9 | -171.3 | -161.5 | -0.5 | 109.4 | E123 V127 | E123-R125 PolarHBondContact O-N 3.2Å; E123-R125 IonicContact OE2-CZ 3.97Å; E123-R125 IonicContact OE2-NE 3.15Å; E123-R125 IonicContact OE2-NH2 3.81Å; E123-R125 PolarHBondContact OE2-NH2 3.44Å; E123-R125 VanDerWaalsContact OE2-NH2 3.15Å; R125-V127 PolarHBondContact O-N 3.38Å; R125-V127 VanDerWaalsContact O-N 3.17Å | ||
| 126 | F | 31.1 | Very low | 30.8 | Very low | 168 Ų | 168 | 144 Ų | 144 | 74% | 0.737 | 75% | 0.746 | S | S | * | * | trans | -74.5 | 102.9 | 169 | -71.7 | -84.4 | 0 | 0 | 0 | 109.4 | L128 | F126-L128 PolarHBondContact O-N 3.1Š| ||
| 127 | V | 27.1 | Very low | 30.8 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -81.4 | 91.3 | 166.7 | -174.9 | 0 | 0 | 0 | 0 | 107.4 | R125 K129 | R125-V127 PolarHBondContact O-N 3.38Å; R125-V127 VanDerWaalsContact O-N 3.17Å; V127-K129 PolarHBondContact O-N 2.92Å | ||
| 128 | L | 26.8 | Very low | 30.9 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | trans | -68.6 | 126.4 | 167.1 | -107.6 | 101.7 | 0 | 0 | 0 | 108.7 | F126 S130 | F126-L128 PolarHBondContact O-N 3.1Å; L128-S130 PolarHBondContact O-N 3.44Å | ||
| 129 | K | 28.5 | Very low | 30.8 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | -65.3 | 81.7 | 164.8 | -97.7 | 179.2 | 174.4 | 174.5 | 0 | 108.5 | V127 | V127-K129 PolarHBondContact O-N 2.92Š| ||
| 130 | S | 27.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 151 Ų | 151 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | trans | -109.1 | 96.9 | 164.7 | -59.4 | 0 | 0 | 0 | 0 | 107.1 | L128 S132 | L128-S130 PolarHBondContact O-N 3.44Å; S130-S132 PolarHBondContact O-N 3.5Å | ||
| 131 | Y | 28.3 | Very low | 30.9 | Very low | 228 Ų | 228 | 147.7 Ų | 147.7 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | trans | -47.8 | 109.7 | 161.9 | -84.4 | -91.2 | 0 | 0 | 0 | 108.4 | ||||
| 132 | S | 31.8 | Very low | 31.1 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -153.3 | 96.7 | 163.6 | -170 | 0 | 0 | 0 | 0 | 108 | S130 S134 | S130-S132 PolarHBondContact O-N 3.5Å; S132-S134 VanDerWaalsContact C-N 3.32Å; S132-S134 PolarHBondContact O-N 2.87Å | ||
| 133 | N | 34.1 | Very low | 30.9 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | -60.1 | 95.8 | 166.2 | -85.8 | -12.3 | 0 | 0 | 0 | 108.1 | ||||
| 134 | S | 34.9 | Very low | 31.1 | Very low | 79 Ų | 79 | 152.2 Ų | 152.2 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | trans | -144 | 96.8 | 170.9 | 170.9 | 0 | 0 | 0 | 0 | 108 | S132 T136 | S132-S134 VanDerWaalsContact C-N 3.32Å; S132-S134 PolarHBondContact O-N 2.87Å; S134-T136 PolarHBondContact O-N 2.76Å | ||
| 135 | T | 42 | Very low | 30.9 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | trans | -70.8 | 24.1 | -174.3 | -15.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 136 | T | 32.8 | Very low | 30.9 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -123.9 | 95.5 | -178.6 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | S134 | S134-T136 PolarHBondContact O-N 2.76Š|
| 137 | N | 31.4 | Very low | 31.1 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 31.3 | 98.3 | 152.6 | -69.3 | -17 | 0 | 0 | 0 | 118.3 | Q139 | N137-Q139 VanDerWaalsContact C-N 3.32Å; N137-Q139 PolarHBondContact O-N 3.2Å | ||
| 138 | N | 32 | Very low | 31.3 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | S | Bend | 44.3 | 33 | 128.7 | -66.5 | -10.2 | 0 | 0 | 0 | 120.2 | |||
| 139 | Q | 30.3 | Very low | 31.6 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -129.8 | 89.6 | 163.6 | -143.5 | 171.9 | 16 | 0 | 0 | 109.3 | N137 G141 | N137-Q139 VanDerWaalsContact C-N 3.32Å; N137-Q139 PolarHBondContact O-N 3.2Å; Q139-G141 VanDerWaalsContact C-N 3.27Å; Q139-G141 PolarHBondContact O-N 2.94Å | ||
| 140 | F | 37.4 | Very low | 31.7 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -68.3 | 81 | 177.8 | -89.9 | -90.8 | 0 | 0 | 0 | 110.7 | I142 | F140-I142 PolarHBondContact O-N 3.41Š| ||
| 141 | G | 28 | Very low | 32.2 | Very low | 69 Ų | 69 | 146.6 Ų | 146.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -77.1 | 106.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q139 R143 | Q139-G141 VanDerWaalsContact C-N 3.27Å; Q139-G141 PolarHBondContact O-N 2.94Å; G141-R143 PolarHBondContact O-N 2.77Å; G141-R143 VanDerWaalsContact O-N 3.12Å | ||
| 142 | I | 34.6 | Very low | 32.3 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | trans | -67.4 | 110.4 | 177.1 | -60.3 | 176.6 | 0 | 0 | 0 | 108.8 | F140 I144 | F140-I142 PolarHBondContact O-N 3.41Å; I142-I144 HydrophobicContact CG2-CG1 4Å; I142-I144 PolarHBondContact O-N 3.17Å | ||
| 143 | R | 25.9 | Very low | 32.4 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | -87.7 | 93 | 177 | -155.9 | -178.6 | -167 | -169.5 | 5.6 | 109.1 | G141 N145 M152 | G141-R143 PolarHBondContact O-N 2.77Å; G141-R143 VanDerWaalsContact O-N 3.12Å; R143-N145 PolarHBondContact O-N 3.36Å; R143-M152 HydrophobicContact CG-CE 4.03Å | ||
| 144 | I | 30.9 | Very low | 32.5 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | -78.1 | 108 | 172.5 | -43.9 | 177.2 | 0 | 0 | 0 | 107.1 | I142 S146 | I142-I144 HydrophobicContact CG2-CG1 4Å; I142-I144 PolarHBondContact O-N 3.17Å; I144-S146 PolarHBondContact O-N 3.43Å | ||
| 145 | N | 25.2 | Very low | 32.6 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -72.5 | 76.6 | 172.1 | -71.3 | -17.9 | 0 | 0 | 0 | 109.1 | R143 K147 | R143-N145 PolarHBondContact O-N 3.36Å; N145-K147 PolarHBondContact O-N 2.95Å | ||
| 146 | S | 28.5 | Very low | 32.2 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | trans | -74.5 | 120.3 | 161.1 | 47 | 0 | 0 | 0 | 0 | 108 | I144 S148 | I144-S146 PolarHBondContact O-N 3.43Å; S146-S148 PolarHBondContact O-N 3.15Å | ||
| 147 | K | 34.2 | Very low | 32.4 | Very low | 218 Ų | 218 | 146.5 Ų | 146.5 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -67.5 | 77.4 | 169.6 | -71.9 | 176.7 | 176.8 | 175.2 | 0 | 109 | N145 | N145-K147 PolarHBondContact O-N 2.95Š|
| 148 | S | 32.1 | Very low | 32.5 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -154.4 | 137.5 | 156.7 | 65.8 | 0 | 0 | 0 | 0 | 110 | S146 | S146-S148 PolarHBondContact O-N 3.15Š| ||
| 149 | S | 32.1 | Very low | 33 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -63.5 | 154.1 | -171.5 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 150 | N | 31.4 | Very low | 33.5 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 86.2 | 110 | 160.5 | -61.5 | -18.9 | 0 | 0 | 0 | 118.4 | ||
| 151 | K | 37.7 | Very low | 34 | Very low | 211 Ų | 211 | 141.1 Ų | 141.1 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | trans | 67 | 80.3 | 154.5 | -121 | 170.9 | -179.1 | 175.3 | 0 | 115.2 | R153 | K151-R153 PolarHBondContact O-N 3.28Š| ||
| 152 | M | 32 | Very low | 34.7 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | trans | -56.5 | 88.3 | 175.1 | -165.5 | 168.4 | 159.7 | 0 | 0 | 111.6 | R143 | R143-M152 HydrophobicContact CG-CE 4.03Š| ||
| 153 | R | 33.7 | Very low | 35.3 | Very low | 223 Ų | 223 | 142.9 Ų | 142.9 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | trans | -86.7 | 112.9 | 165.2 | -157.2 | 176.9 | -172.6 | -177.5 | 1.1 | 106.2 | K151 T155 | K151-R153 PolarHBondContact O-N 3.28Å; R153-T155 PolarHBondContact O-N 2.74Å | ||
| 154 | T | 35.6 | Very low | 35.9 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | trans | -66.6 | 83.8 | 172.4 | 50.6 | 0 | 0 | 0 | 0 | 108.4 | N156 | T154-N156 PolarHBondContact O-N 3.14Š| ||
| 155 | T | 36 | Very low | 36.3 | Very low | 106 Ų | 106 | 138 Ų | 138 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -76 | 107.5 | 166.2 | 47.5 | 0 | 0 | 0 | 0 | 106.6 | R153 C157 | R153-T155 PolarHBondContact O-N 2.74Å; T155-C157 VanDerWaalsContact C-N 3.25Å; T155-C157 PolarHBondContact O-N 3.48Å | ||
| 156 | N | 35.3 | Very low | 37.8 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -56.9 | 93.2 | 166.5 | -63.4 | -29.8 | 0 | 0 | 0 | 107.4 | T154 S158 | T154-N156 PolarHBondContact O-N 3.14Å; N156-S158 PolarHBondContact O-N 3.4Å | ||
| 157 | C | 35.4 | Very low | 38.7 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 72% | 0.716 | 74% | 0.741 | S | S | * | * | trans | -71.4 | 88.3 | 164.3 | -84.1 | 0 | 0 | 0 | 0 | 106.4 | T155 F159 | T155-C157 VanDerWaalsContact C-N 3.25Å; T155-C157 PolarHBondContact O-N 3.48Å; C157-F159 VanDerWaalsContact C-N 3.35Å; C157-F159 PolarHBondContact O-N 2.87Å | ||
| 158 | S | 34.9 | Very low | 39.9 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | -59 | 106.7 | 153 | 52.5 | 0 | 0 | 0 | 0 | 105.9 | N156 E160 | N156-S158 PolarHBondContact O-N 3.4Å; S158-E160 VanDerWaalsContact C-N 3.3Å; S158-E160 PolarHBondContact O-N 3.5Å | ||
| 159 | F | 42.7 | Very low | 42 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 82% | 0.816 | 71% | 0.709 | S | S | * | * | trans | -63 | 104.4 | 161.2 | -94.6 | -91.4 | 0 | 0 | 0 | 105.6 | C157 L161 | C157-F159 VanDerWaalsContact C-N 3.35Å; C157-F159 PolarHBondContact O-N 2.87Å; F159-L161 PolarHBondContact O-N 2.91Å | ||
| 160 | E | 40.5 | Very low | 44.1 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | -65.3 | 92.3 | 164.3 | -149.8 | 171.4 | -152.9 | 0 | 0 | 104.9 | S158 T162 | S158-E160 VanDerWaalsContact C-N 3.3Å; S158-E160 PolarHBondContact O-N 3.5Å; E160-T162 HydrophobicContact CB-CG2 4.17Å; E160-T162 HydrophobicContact CG-CG2 3.89Å; E160-T162 PolarHBondContact O-N 2.89Å | ||
| 161 | L | 48.4 | Very low | 46 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | trans | -67.5 | 76.1 | 169.3 | -82.7 | 148.2 | 0 | 0 | 0 | 106.3 | F159 N163 I166 | F159-L161 PolarHBondContact O-N 2.91Å; L161-N163 VanDerWaalsContact C-N 3.34Å; L161-N163 PolarHBondContact O-N 3.31Å; L161-I166 HydrophobicContact CD2-CD1 4.05Å | ||
| 162 | T | 41.4 | Very low | 47.6 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | trans | -69.5 | 90.3 | 178.6 | 44.5 | 0 | 0 | 0 | 0 | 108.2 | E160 T164 | E160-T162 HydrophobicContact CB-CG2 4.17Å; E160-T162 HydrophobicContact CG-CG2 3.89Å; E160-T162 PolarHBondContact O-N 2.89Å; T162-T164 WeakPolarHBondContact O-CA 3.44Å; T162-T164 WeakPolarHBondContact O-CB 3.45Å; T162-T164 WeakPolarHBondContact O-CG2 3.35Å; T162-T164 PolarHBondContact O-N 3.13Å; T162-T164 PolarHBondContact O-OG1 3.27Å; T162-T164 VanDerWaalsContact O-OG1 3.06Å | ||
| 163 | N | 47.5 | Very low | 49.2 | Very low | 168 Ų | 168 | 124.3 Ų | 124.3 | 90% | 0.898 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 33.7 | 32.9 | 167.9 | -68.8 | -6.4 | 0 | 0 | 0 | 116.4 | L161 T165 | L161-N163 VanDerWaalsContact C-N 3.34Å; L161-N163 PolarHBondContact O-N 3.31Å; N163-T165 PolarHBondContact O-N 3.3Å |
| 164 | T | 38.9 | Very low | 50.9 | Low | 91 Ų | 91 | 118 Ų | 118 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | trans | -93.1 | 110 | -173.6 | 20.6 | 0 | 0 | 0 | 0 | 105.1 | T162 I166 | T162-T164 WeakPolarHBondContact O-CA 3.44Å; T162-T164 WeakPolarHBondContact O-CB 3.45Å; T162-T164 WeakPolarHBondContact O-CG2 3.35Å; T162-T164 PolarHBondContact O-N 3.13Å; T162-T164 PolarHBondContact O-OG1 3.27Å; T162-T164 VanDerWaalsContact O-OG1 3.06Å; T164-I166 PolarHBondContact O-N 3.03Å | ||
| 165 | T | 39 | Very low | 52.7 | Low | 131 Ų | 131 | 119.6 Ų | 119.6 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | -60.3 | 101.7 | 174.4 | -50.8 | 0 | 0 | 0 | 0 | 108.2 | N163 T167 | N163-T165 PolarHBondContact O-N 3.3Å; T165-T167 PolarHBondContact O-N 3.37Å; T165-T167 VanDerWaalsContact O-N 3.1Å | ||
| 166 | I | 57.1 | Low | 54.3 | Low | 120 Ų | 120 | 118.6 Ų | 118.6 | 62% | 0.615 | 63% | 0.634 | S | S | * | * | trans | -74.9 | 98.5 | 170.3 | -60.9 | 172.3 | 0 | 0 | 0 | 105.8 | L161 T164 P168 | L161-I166 HydrophobicContact CD2-CD1 4.05Å; T164-I166 PolarHBondContact O-N 3.03Å; I166-P168 WeakPolarHBondContact O-CD 3.5Å | ||
| 167 | T | 46.9 | Very low | 55.8 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 72% | 0.718 | 62% | 0.624 | S | S | * | * | trans | -67.7 | 112.9 | 169.7 | -50.4 | 0 | 0 | 0 | 0 | 107.6 | T165 D169 | T165-T167 PolarHBondContact O-N 3.37Å; T165-T167 VanDerWaalsContact O-N 3.1Å; T167-D169 PolarHBondContact O-N 3.25Å | ||
| 168 | P | 59.5 | Low | 57.3 | Low | 77 Ų | 77 | 117 Ų | 117 | 50% | 0.5 | 61% | 0.612 | S | S | . | * | trans | -63.2 | 133.6 | 175.8 | 26.5 | -32.5 | 0 | 0 | 0 | 108.9 | I166 V170 L173 | I166-P168 WeakPolarHBondContact O-CD 3.5Å; P168-V170 PolarHBondContact O-N 3.07Å; P168-L173 HydrophobicContact CB-CD1 3.89Å | ||
| 169 | D | 75.9 | Confident | 58.8 | Low | 88 Ų | 88 | 115.1 Ų | 115.1 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | trans | -66 | 97.1 | 174.2 | -179.7 | -12.5 | 0 | 0 | 0 | 108.9 | T167 I171 R172 L173 | T167-D169 PolarHBondContact O-N 3.25Å; D169-I171 PolarHBondContact O-N 3.43Å; D169-I171 WeakPolarHBondContact OD1-CA 3.2Å; D169-I171 VanDerWaalsContact OD1-CB 3.31Å; D169-I171 WeakPolarHBondContact OD1-CB 3.18Å; D169-I171 PolarHBondContact OD1-N 3.16Å; D169-R172 HydrophobicContact CB-CB 3.76Å; D169-R172 WeakPolarHBondContact O-CA 3.48Å; D169-R172 WeakPolarHBondContact O-CB 3.39Å; D169-R172 PolarHBondContact O-N 3.37Å; D169-R172 PolarHBondContact OD1-N 3.32Å; D169-L173 PolarHBondContact O-N 3.36Å | ||
| 170 | V | 75.4 | Confident | 59.5 | Low | 101 Ų | 101 | 109.4 Ų | 109.4 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.9 | -33.5 | -178.5 | -177 | 0 | 0 | 0 | 0 | 110.8 | P168 L173 Q174 | P168-V170 PolarHBondContact O-N 3.07Å; V170-L173 PolarHBondContact O-N 3.17Å; V170-Q174 WeakPolarHBondContact O-CB 3.26Å; V170-Q174 PolarHBondContact O-N 3.4Å |
| 171 | I | 72.1 | Confident | 60.4 | Low | 116 Ų | 116 | 106.7 Ų | 106.7 | 60% | 0.595 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.5 | -43.2 | 176.6 | -58.9 | 173.4 | 0 | 0 | 0 | 109.5 | D169 Q174 K175 | D169-I171 PolarHBondContact O-N 3.43Å; D169-I171 WeakPolarHBondContact OD1-CA 3.2Å; D169-I171 VanDerWaalsContact OD1-CB 3.31Å; D169-I171 WeakPolarHBondContact OD1-CB 3.18Å; D169-I171 PolarHBondContact OD1-N 3.16Å; I171-Q174 PolarHBondContact O-N 2.98Å; I171-K175 HydrophobicContact CG2-CD 4.46Å; I171-K175 WeakPolarHBondContact O-CG 3.32Å; I171-K175 PolarHBondContact O-N 3.27Å |
| 172 | R | 70.9 | Confident | 60.8 | Low | 152 Ų | 152 | 107.4 Ų | 107.4 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.6 | -43.7 | 175.2 | -163.8 | 178.6 | 85.9 | 166.4 | 4.8 | 111.6 | D169 K175 I176 | D169-R172 HydrophobicContact CB-CB 3.76Å; D169-R172 WeakPolarHBondContact O-CA 3.48Å; D169-R172 WeakPolarHBondContact O-CB 3.39Å; D169-R172 PolarHBondContact O-N 3.37Å; D169-R172 PolarHBondContact OD1-N 3.32Å; R172-K175 PolarHBondContact O-N 2.94Å; R172-I176 HydrophobicContact CG-CD1 4.31Å; R172-I176 VanDerWaalsContact O-CG1 3.3Å; R172-I176 WeakPolarHBondContact O-CG1 3.44Å; R172-I176 PolarHBondContact O-N 3.2Å |
| 173 | L | 66.9 | Low | 61.6 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.7 | -42.9 | 176.4 | -70.8 | 178 | 0 | 0 | 0 | 111.9 | P168 D169 V170 K175 I176 K177 | P168-L173 HydrophobicContact CB-CD1 3.89Å; D169-L173 PolarHBondContact O-N 3.36Å; V170-L173 PolarHBondContact O-N 3.17Å; L173-K175 PolarHBondContact O-N 2.81Å; L173-I176 PolarHBondContact O-N 3.38Å; L173-K177 PolarHBondContact O-N 2.87Å |
| 174 | Q | 69.2 | Low | 62.1 | Low | 89 Ų | 89 | 104.3 Ų | 104.3 | 42% | 0.416 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64 | -40.8 | 176.5 | -169.9 | 66.2 | 39.8 | 0 | 0 | 111.7 | V170 I171 I176 K177 N178 | V170-Q174 WeakPolarHBondContact O-CB 3.26Å; V170-Q174 PolarHBondContact O-N 3.4Å; I171-Q174 PolarHBondContact O-N 2.98Å; Q174-I176 VanDerWaalsContact C-N 3.33Å; Q174-I176 PolarHBondContact O-N 3.17Å; Q174-K177 PolarHBondContact O-N 2.78Å; Q174-N178 PolarHBondContact NE2-OD1 2.86Å; Q174-N178 WeakPolarHBondContact O-CB 3.47Å; Q174-N178 PolarHBondContact O-N 3.33Å; Q174-N178 PolarHBondContact O-OD1 2.9Å |
| 175 | K | 72 | Confident | 63.3 | Low | 145 Ų | 145 | 101.4 Ų | 101.4 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 173.7 | -76.8 | 178.5 | 179.4 | -179.9 | 0 | 111.7 | I171 R172 L173 A179 | I171-K175 HydrophobicContact CG2-CD 4.46Å; I171-K175 WeakPolarHBondContact O-CG 3.32Å; I171-K175 PolarHBondContact O-N 3.27Å; R172-K175 PolarHBondContact O-N 2.94Å; L173-K175 PolarHBondContact O-N 2.81Å; K175-A179 VanDerWaalsContact O-CB 3.29Å; K175-A179 WeakPolarHBondContact O-CB 3.41Å; K175-A179 PolarHBondContact O-N 3.08Å |
| 176 | I | 69.9 | Low | 64.4 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 175.6 | -67.6 | 163.7 | 0 | 0 | 0 | 110.2 | R172 L173 Q174 N178 A179 C180 | R172-I176 HydrophobicContact CG-CD1 4.31Å; R172-I176 VanDerWaalsContact O-CG1 3.3Å; R172-I176 WeakPolarHBondContact O-CG1 3.44Å; R172-I176 PolarHBondContact O-N 3.2Å; L173-I176 PolarHBondContact O-N 3.38Å; Q174-I176 VanDerWaalsContact C-N 3.33Å; Q174-I176 PolarHBondContact O-N 3.17Å; I176-N178 PolarHBondContact O-N 2.95Å; I176-A179 PolarHBondContact O-N 3.47Å; I176-C180 PolarHBondContact O-N 2.88Å; I176-C180 PolarHBondContact O-SG 3.18Å; I176-C180 VanDerWaalsContact O-SG 3.33Å |
| 177 | K | 68.3 | Low | 64.5 | Low | 135 Ų | 135 | 95.1 Ų | 95.1 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -54 | -52.3 | 176.5 | -177.8 | -176.8 | 176.4 | -180 | 0 | 110.7 | L173 Q174 A179 C180 V181 | L173-K177 PolarHBondContact O-N 2.87Å; Q174-K177 PolarHBondContact O-N 2.78Å; K177-A179 VanDerWaalsContact C-N 3.32Å; K177-A179 PolarHBondContact O-N 2.93Å; K177-C180 WeakPolarHBondContact O-CB 3.48Å; K177-C180 PolarHBondContact O-N 3.42Å; K177-C180 VanDerWaalsContact O-N 3.08Å; K177-V181 WeakPolarHBondContact O-CG2 3.47Å; K177-V181 PolarHBondContact O-N 2.92Å; K177-V181 VanDerWaalsContact O-N 3.17Å |
| 178 | N | 66.9 | Low | 65.4 | Low | 86 Ų | 86 | 94.3 Ų | 94.3 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | -179.6 | -66.7 | -1.8 | 0 | 0 | 0 | 112.3 | Q174 I176 C180 V181 | Q174-N178 PolarHBondContact NE2-OD1 2.86Å; Q174-N178 WeakPolarHBondContact O-CB 3.47Å; Q174-N178 PolarHBondContact O-N 3.33Å; Q174-N178 PolarHBondContact O-OD1 2.9Å; I176-N178 PolarHBondContact O-N 2.95Å; N178-C180 VanDerWaalsContact C-N 3.28Å; N178-C180 PolarHBondContact O-N 3.06Å; N178-V181 PolarHBondContact O-N 3.41Å |
| 179 | A | 66.6 | Low | 65.8 | Low | 67 Ų | 67 | 96.3 Ų | 96.3 | 55% | 0.554 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -31.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K175 I176 K177 | K175-A179 VanDerWaalsContact O-CB 3.29Å; K175-A179 WeakPolarHBondContact O-CB 3.41Å; K175-A179 PolarHBondContact O-N 3.08Å; I176-A179 PolarHBondContact O-N 3.47Å; K177-A179 VanDerWaalsContact C-N 3.32Å; K177-A179 PolarHBondContact O-N 2.93Å |
| 180 | C | 56.4 | Low | 65.3 | Low | 66 Ų | 66 | 95 Ų | 95 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.8 | -19.6 | 176.7 | -69.3 | 0 | 0 | 0 | 0 | 114 | I176 K177 N178 N182 L183 | I176-C180 PolarHBondContact O-N 2.88Å; I176-C180 PolarHBondContact O-SG 3.18Å; I176-C180 VanDerWaalsContact O-SG 3.33Å; K177-C180 WeakPolarHBondContact O-CB 3.48Å; K177-C180 PolarHBondContact O-N 3.42Å; K177-C180 VanDerWaalsContact O-N 3.08Å; N178-C180 VanDerWaalsContact C-N 3.28Å; N178-C180 PolarHBondContact O-N 3.06Å; C180-N182 PolarHBondContact O-N 2.62Å; C180-L183 HydrophobicContact CB-CD1 3.93Å; C180-L183 WeakPolarHBondContact O-CB 3.36Å; C180-L183 PolarHBondContact O-N 2.87Å; C180-L183 VanDerWaalsContact O-N 3.16Å |
| 181 | V | 58.9 | Low | 65 | Low | 104 Ų | 104 | 97.7 Ų | 97.7 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -31.3 | 175.8 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | K177 N178 L183 | K177-V181 WeakPolarHBondContact O-CG2 3.47Å; K177-V181 PolarHBondContact O-N 2.92Å; K177-V181 VanDerWaalsContact O-N 3.17Å; N178-V181 PolarHBondContact O-N 3.41Å; V181-L183 VanDerWaalsContact C-N 3.32Å |
| 182 | N | 57.8 | Low | 64.5 | Low | 137 Ų | 137 | 94 Ų | 94 | 73% | 0.733 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 9.7 | -179.8 | -62 | -26.3 | 0 | 0 | 0 | 113.1 | C180 | C180-N182 PolarHBondContact O-N 2.62Š|
| 183 | L | 57.9 | Low | 64.3 | Low | 116 Ų | 116 | 90.4 Ų | 90.4 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -65.7 | 126.3 | 171.4 | -73.5 | 166.6 | 0 | 0 | 0 | 107.6 | C180 V181 N185 | C180-L183 HydrophobicContact CB-CD1 3.93Å; C180-L183 WeakPolarHBondContact O-CB 3.36Å; C180-L183 PolarHBondContact O-N 2.87Å; C180-L183 VanDerWaalsContact O-N 3.16Å; V181-L183 VanDerWaalsContact C-N 3.32Å; L183-N185 PolarHBondContact O-N 3.33Å |
| 184 | P | 57.5 | Low | 64 | Low | 76 Ų | 76 | 87.4 Ų | 87.4 | 49% | 0.494 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 137.9 | 173.9 | 23.9 | -32 | 0 | 0 | 0 | 108.5 | T186 L189 | P184-T186 PolarHBondContact O-N 2.84Å; P184-L189 HydrophobicContact CB-CD2 4.08Å; P184-L189 HydrophobicContact CB-CG 4.37Å; P184-L189 HydrophobicContact CG-CD1 4.28Å; P184-L189 HydrophobicContact CG-CD2 4.08Å; P184-L189 HydrophobicContact CG-CG 4.43Å |
| 185 | N | 63.4 | Low | 63.6 | Low | 30 Ų | 30 | 85.3 Ų | 85.3 | 16% | 0.16 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 135.5 | 173.4 | -174.4 | -25.6 | 0 | 0 | 0 | 107.8 | L183 I187 D188 L189 D200 H203 | L183-N185 PolarHBondContact O-N 3.33Å; N185-I187 PolarHBondContact O-N 3.23Å; N185-I187 VanDerWaalsContact O-N 3.13Å; N185-I187 PolarHBondContact OD1-N 2.97Å; N185-D188 WeakPolarHBondContact O-CB 3.3Å; N185-D188 PolarHBondContact O-N 3.34Å; N185-L189 PolarHBondContact O-N 3.33Å; N185-D200 PolarHBondContact ND2-OD2 2.82Å; N185-D200 PolarHBondContact OD1-OD2 3.49Å; N185-H203 VanDerWaalsContact ND2-CB 3.32Å; N185-H203 WeakPolarHBondContact ND2-CB 3.29Å; N185-H203 PolarHBondContact ND2-CE1 3.43Å; N185-H203 PolarHBondContact ND2-ND1 3.26Å |
| 186 | T | 62.4 | Low | 63.4 | Low | 108 Ų | 108 | 81.6 Ų | 81.6 | 66% | 0.663 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.3 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | P184 D188 L189 | P184-T186 PolarHBondContact O-N 2.84Å; T186-D188 PolarHBondContact O-N 2.93Å; T186-L189 WeakPolarHBondContact O-CB 3.36Å; T186-L189 PolarHBondContact O-N 3.48Å |
| 187 | I | 59.6 | Low | 63.3 | Low | 12 Ų | 12 | 81 Ų | 81 | 6% | 0.062 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -38.3 | 174.7 | -71.5 | -173.3 | 0 | 0 | 0 | 112.8 | N185 L189 V190 I198 D200 H203 K205 | N185-I187 PolarHBondContact O-N 3.23Å; N185-I187 VanDerWaalsContact O-N 3.13Å; N185-I187 PolarHBondContact OD1-N 2.97Å; I187-L189 PolarHBondContact O-N 3.49Å; I187-V190 PolarHBondContact O-N 3.39Å; I187-V190 VanDerWaalsContact O-N 3.14Å; I187-I198 HydrophobicContact CB-CD1 4.42Å; I187-I198 HydrophobicContact CG1-CD1 4.31Å; I187-I198 HydrophobicContact CG2-CD1 3.96Å; I187-I198 HydrophobicContact CG2-CG1 4.02Å; I187-D200 HydrophobicContact CD1-CB 3.48Å; I187-D200 VanDerWaalsContact CD1-CB 3.48Å; I187-D200 VanDerWaalsContact CD1-CG 3.41Å; I187-D200 HydrophobicContact CG1-CB 4.17Å; I187-H203 HydrophobicContact CD1-CB 4.36Å; I187-K205 HydrophobicContact CG2-CB 3.35Å; I187-K205 HydrophobicContact CG2-CD 3.92Å; I187-K205 HydrophobicContact CG2-CG 4.24Å; I187-K205 VanDerWaalsContact O-CD 3.26Å; I187-K205 WeakPolarHBondContact O-CD 3.39Å; I187-K205 PolarHBondContact O-NZ 3.48Å |
| 188 | D | 65.4 | Low | 63.4 | Low | 99 Ų | 99 | 76.8 Ų | 76.8 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -27.7 | 179.6 | -69.7 | -28.5 | 0 | 0 | 0 | 111.4 | N185 T186 V190 K205 | N185-D188 WeakPolarHBondContact O-CB 3.3Å; N185-D188 PolarHBondContact O-N 3.34Å; T186-D188 PolarHBondContact O-N 2.93Å; D188-V190 VanDerWaalsContact C-N 3.31Å; D188-V190 PolarHBondContact O-N 2.87Å; D188-K205 PolarHBondContact O-NZ 3.02Å |
| 189 | L | 68.7 | Low | 63.7 | Low | 120 Ų | 120 | 76.3 Ų | 76.3 | 63% | 0.628 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.8 | 176.6 | -56.3 | 176.8 | 0 | 0 | 0 | 114 | P184 N185 T186 I187 | P184-L189 HydrophobicContact CB-CD2 4.08Å; P184-L189 HydrophobicContact CB-CG 4.37Å; P184-L189 HydrophobicContact CG-CD1 4.28Å; P184-L189 HydrophobicContact CG-CD2 4.08Å; P184-L189 HydrophobicContact CG-CG 4.43Å; N185-L189 PolarHBondContact O-N 3.33Å; T186-L189 WeakPolarHBondContact O-CB 3.36Å; T186-L189 PolarHBondContact O-N 3.48Å; I187-L189 PolarHBondContact O-N 3.49Å |
| 190 | V | 64.4 | Low | 63.7 | Low | 60 Ų | 60 | 77 Ų | 77 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -88.9 | 117.3 | 179.1 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | I187 D188 L192 I198 K205 | I187-V190 PolarHBondContact O-N 3.39Å; I187-V190 VanDerWaalsContact O-N 3.14Å; D188-V190 VanDerWaalsContact C-N 3.31Å; D188-V190 PolarHBondContact O-N 2.87Å; V190-L192 HydrophobicContact CG1-CD2 4.24Å; V190-L192 PolarHBondContact O-N 3.4Å; V190-I198 HydrophobicContact CB-CD1 3.73Å; V190-I198 HydrophobicContact CG1-CD1 3.87Å; V190-I198 HydrophobicContact CG2-CD1 4.03Å; V190-K205 PolarHBondContact O-NZ 2.91Å |
| 191 | D | 69 | Low | 64.1 | Low | 157 Ų | 157 | 77.1 Ų | 77.1 | 84% | 0.84 | 47% | 0.468 | S | S | * | . | trans | -69.4 | 115.5 | 165.5 | -79.6 | -21.8 | 0 | 0 | 0 | 109.3 | ||||
| 192 | L | 62.2 | Low | 64.5 | Low | 38 Ų | 38 | 80.3 Ų | 80.3 | 20% | 0.199 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 132 | -177.1 | -75.8 | 176.2 | 0 | 0 | 0 | 111.7 | V190 V196 I198 K205 G207 | V190-L192 HydrophobicContact CG1-CD2 4.24Å; V190-L192 PolarHBondContact O-N 3.4Å; L192-V196 HydrophobicContact CD2-CG1 4.34Å; L192-I198 HydrophobicContact CD1-CG1 4.2Å; L192-I198 HydrophobicContact CD2-CB 4.32Å; L192-I198 HydrophobicContact CD2-CD1 3.7Å; L192-I198 HydrophobicContact CD2-CG1 3.78Å; L192-I198 HydrophobicContact CD2-CG2 3.74Å; L192-I198 HydrophobicContact CG-CD1 4.29Å; L192-I198 HydrophobicContact CG-CG1 4.42Å; L192-K205 HydrophobicContact CD1-CB 3.71Å; L192-K205 HydrophobicContact CD1-CD 3.85Å; L192-K205 HydrophobicContact CD1-CG 3.49Å; L192-K205 VanDerWaalsContact CD1-CG 3.49Å; L192-K205 WeakPolarHBondContact CD1-O 3.39Å; L192-K205 HydrophobicContact CG-CD 4.32Å; L192-K205 HydrophobicContact CG-CG 4.47Å; L192-G207 VanDerWaalsContact CD1-N 3.34Å |
| 193 | V | 66.9 | Low | 64.8 | Low | 78 Ų | 78 | 78.1 Ų | 78.1 | 47% | 0.473 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 137.8 | 162.6 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | G195 V196 V231 | V193-G195 PolarHBondContact O-N 3.03Å; V193-V196 HydrophobicContact CB-CB 4.43Å; V193-V196 HydrophobicContact CB-CG2 3.86Å; V193-V196 HydrophobicContact CG1-CG2 4.28Å; V193-V196 WeakPolarHBondContact O-CB 3.48Å; V193-V196 PolarHBondContact O-N 3.35Å; V193-V231 HydrophobicContact CG2-CG1 4.1Å |
| 194 | A | 60.4 | Low | 65.3 | Low | 27 Ų | 27 | 78 Ų | 78 | 22% | 0.223 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 127 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V196 L209 | A194-V196 VanDerWaalsContact C-N 3.34Å; A194-L209 HydrophobicContact CB-CB 4.49Å; A194-L209 HydrophobicContact CB-CD2 3.33Å; A194-L209 HydrophobicContact CB-CG 3.8Å |
| 195 | G | 61.2 | Low | 65.6 | Low | 44 Ų | 44 | 77 Ų | 77 | 45% | 0.454 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -9.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V193 G207 | V193-G195 PolarHBondContact O-N 3.03Å; G195-G207 PolarHBondContact N-O 3.26Å |
| 196 | V | 67 | Low | 65.9 | Low | 67 Ų | 67 | 80.5 Ų | 80.5 | 41% | 0.406 | 47% | 0.466 | S | S | . | . | trans | -85.9 | 134.4 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | L192 V193 A194 I198 G207 | L192-V196 HydrophobicContact CD2-CG1 4.34Å; V193-V196 HydrophobicContact CB-CB 4.43Å; V193-V196 HydrophobicContact CB-CG2 3.86Å; V193-V196 HydrophobicContact CG1-CG2 4.28Å; V193-V196 WeakPolarHBondContact O-CB 3.48Å; V193-V196 PolarHBondContact O-N 3.35Å; A194-V196 VanDerWaalsContact C-N 3.34Å; V196-I198 HydrophobicContact CG1-CG2 4.31Å; V196-G207 PolarHBondContact O-N 2.87Å | ||
| 197 | T | 69 | Low | 66.2 | Low | 74 Ų | 74 | 75.6 Ų | 75.6 | 45% | 0.454 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.7 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 108.8 | L204 K205 I206 | T197-L204 HydrophobicContact CG2-CD1 3.42Å; T197-L204 VanDerWaalsContact CG2-CD1 3.42Å; T197-L204 HydrophobicContact CG2-CD2 4.5Å; T197-L204 HydrophobicContact CG2-CG 4.01Å; T197-K205 WeakPolarHBondContact CA-O 3.44Å; T197-I206 HydrophobicContact CG2-CG1 3.92Å |
| 198 | I | 69.5 | Low | 66.4 | Low | 47 Ų | 47 | 83.7 Ų | 83.7 | 24% | 0.241 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.9 | 174.5 | 66.1 | 177.4 | 0 | 0 | 0 | 110.4 | I187 V190 L192 V196 K205 | I187-I198 HydrophobicContact CB-CD1 4.42Å; I187-I198 HydrophobicContact CG1-CD1 4.31Å; I187-I198 HydrophobicContact CG2-CD1 3.96Å; I187-I198 HydrophobicContact CG2-CG1 4.02Å; V190-I198 HydrophobicContact CB-CD1 3.73Å; V190-I198 HydrophobicContact CG1-CD1 3.87Å; V190-I198 HydrophobicContact CG2-CD1 4.03Å; L192-I198 HydrophobicContact CD1-CG1 4.2Å; L192-I198 HydrophobicContact CD2-CB 4.32Å; L192-I198 HydrophobicContact CD2-CD1 3.7Å; L192-I198 HydrophobicContact CD2-CG1 3.78Å; L192-I198 HydrophobicContact CD2-CG2 3.74Å; L192-I198 HydrophobicContact CG-CD1 4.29Å; L192-I198 HydrophobicContact CG-CG1 4.42Å; V196-I198 HydrophobicContact CG1-CG2 4.31Å; I198-K205 HydrophobicContact CG1-CB 4.24Å; I198-K205 PolarHBondContact N-O 3.1Å; I198-K205 PolarHBondContact O-N 3.14Å |
| 199 | S | 73.4 | Confident | 65.9 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 53% | 0.531 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 145 | 178.6 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | G201 H203 | S199-G201 PolarHBondContact OG-N 3.13Å; S199-G201 VanDerWaalsContact OG-N 3.17Å; S199-H203 VanDerWaalsContact CA-O 3.27Å; S199-H203 WeakPolarHBondContact CA-O 3.46Å; S199-H203 PolarHBondContact OG-O 3Å |
| 200 | D | 66.4 | Low | 65.6 | Low | 80 Ų | 80 | 82.7 Ų | 82.7 | 43% | 0.428 | 46% | 0.459 | S | S | . | . | trans | -107.1 | 2.5 | 174.1 | 61.7 | 7.7 | 0 | 0 | 0 | 111.5 | N185 I187 E202 H203 | N185-D200 PolarHBondContact ND2-OD2 2.82Å; N185-D200 PolarHBondContact OD1-OD2 3.49Å; I187-D200 HydrophobicContact CD1-CB 3.48Å; I187-D200 VanDerWaalsContact CD1-CB 3.48Å; I187-D200 VanDerWaalsContact CD1-CG 3.41Å; I187-D200 HydrophobicContact CG1-CB 4.17Å; D200-E202 PolarHBondContact OD1-N 2.99Å; D200-H203 PolarHBondContact N-O 3.31Å; D200-H203 IonicContact OD1-CG 3.5Å; D200-H203 PolarHBondContact OD1-N 3.07Å; D200-H203 IonicContact OD1-ND1 3.44Å; D200-H203 PolarHBondContact OD1-ND1 3.16Å; D200-H203 IonicContact OD2-ND1 3.7Å; D200-H203 PolarHBondContact OD2-ND1 3.31Å | ||
| 201 | G | 66.1 | Low | 65.5 | Low | 69 Ų | 69 | 86.4 Ų | 86.4 | 71% | 0.711 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 102.5 | -27.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S199 | S199-G201 PolarHBondContact OG-N 3.13Å; S199-G201 VanDerWaalsContact OG-N 3.17Å |
| 202 | E | 66.6 | Low | 65.1 | Low | 172 Ų | 172 | 85.2 Ų | 85.2 | 80% | 0.804 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -110.5 | -32.9 | 178.9 | -69.8 | -177.9 | 176.5 | 0 | 0 | 112.1 | D200 | D200-E202 PolarHBondContact OD1-N 2.99Š|
| 203 | H | 63.2 | Low | 64.6 | Low | 90 Ų | 90 | 86.8 Ų | 86.8 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | trans | -123.7 | 145.4 | -173.9 | -52 | 81.2 | 0 | 0 | 0 | 110.6 | N185 I187 S199 D200 | N185-H203 VanDerWaalsContact ND2-CB 3.32Å; N185-H203 WeakPolarHBondContact ND2-CB 3.29Å; N185-H203 PolarHBondContact ND2-CE1 3.43Å; N185-H203 PolarHBondContact ND2-ND1 3.26Å; I187-H203 HydrophobicContact CD1-CB 4.36Å; S199-H203 VanDerWaalsContact CA-O 3.27Å; S199-H203 WeakPolarHBondContact CA-O 3.46Å; S199-H203 PolarHBondContact OG-O 3Å; D200-H203 PolarHBondContact N-O 3.31Å; D200-H203 IonicContact OD1-CG 3.5Å; D200-H203 PolarHBondContact OD1-N 3.07Å; D200-H203 IonicContact OD1-ND1 3.44Å; D200-H203 PolarHBondContact OD1-ND1 3.16Å; D200-H203 IonicContact OD2-ND1 3.7Å; D200-H203 PolarHBondContact OD2-ND1 3.31Å | ||
| 204 | L | 69 | Low | 64.2 | Low | 114 Ų | 114 | 88.3 Ų | 88.3 | 60% | 0.597 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126 | -179.8 | -172.8 | 77.4 | 0 | 0 | 0 | 109.3 | T197 I206 | T197-L204 HydrophobicContact CG2-CD1 3.42Å; T197-L204 VanDerWaalsContact CG2-CD1 3.42Å; T197-L204 HydrophobicContact CG2-CD2 4.5Å; T197-L204 HydrophobicContact CG2-CG 4.01Å; L204-I206 HydrophobicContact CD2-CD1 4.29Å; L204-I206 HydrophobicContact CD2-CG1 4.41Å; L204-I206 HydrophobicContact CG-CG1 4.48Å |
| 205 | K | 64.5 | Low | 64 | Low | 56 Ų | 56 | 90.3 Ų | 90.3 | 24% | 0.243 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.1 | 173.7 | -163.4 | -173.2 | 179.9 | -179.2 | 0 | 109.5 | I187 D188 V190 L192 T197 I198 | I187-K205 HydrophobicContact CG2-CB 3.35Å; I187-K205 HydrophobicContact CG2-CD 3.92Å; I187-K205 HydrophobicContact CG2-CG 4.24Å; I187-K205 VanDerWaalsContact O-CD 3.26Å; I187-K205 WeakPolarHBondContact O-CD 3.39Å; I187-K205 PolarHBondContact O-NZ 3.48Å; D188-K205 PolarHBondContact O-NZ 3.02Å; V190-K205 PolarHBondContact O-NZ 2.91Å; L192-K205 HydrophobicContact CD1-CB 3.71Å; L192-K205 HydrophobicContact CD1-CD 3.85Å; L192-K205 HydrophobicContact CD1-CG 3.49Å; L192-K205 VanDerWaalsContact CD1-CG 3.49Å; L192-K205 WeakPolarHBondContact CD1-O 3.39Å; L192-K205 HydrophobicContact CG-CD 4.32Å; L192-K205 HydrophobicContact CG-CG 4.47Å; T197-K205 WeakPolarHBondContact CA-O 3.44Å; I198-K205 HydrophobicContact CG1-CB 4.24Å; I198-K205 PolarHBondContact N-O 3.1Å; I198-K205 PolarHBondContact O-N 3.14Å |
| 206 | I | 69.8 | Low | 64 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.6 | -178.3 | -56.3 | 172.2 | 0 | 0 | 0 | 107.9 | T197 L204 Q208 | T197-I206 HydrophobicContact CG2-CG1 3.92Å; L204-I206 HydrophobicContact CD2-CD1 4.29Å; L204-I206 HydrophobicContact CD2-CG1 4.41Å; L204-I206 HydrophobicContact CG-CG1 4.48Å; I206-Q208 PolarHBondContact O-N 3.22Å; I206-Q208 VanDerWaalsContact O-N 3.15Å |
| 207 | G | 68.8 | Low | 63.5 | Low | 6 Ų | 6 | 95.9 Ų | 95.9 | 6% | 0.062 | 49% | 0.488 | C | S | . | . | trans | -65.4 | 112.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L192 G195 V196 L209 | L192-G207 VanDerWaalsContact CD1-N 3.34Å; G195-G207 PolarHBondContact N-O 3.26Å; V196-G207 PolarHBondContact O-N 2.87Å; G207-L209 PolarHBondContact O-N 3.26Å; G207-L209 VanDerWaalsContact O-N 3.17Å | ||
| 208 | Q | 62.7 | Low | 63.1 | Low | 182 Ų | 182 | 97.7 Ų | 97.7 | 85% | 0.85 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 118.1 | 179.6 | -72.2 | -173.8 | 3.8 | 0 | 0 | 110.1 | I206 | I206-Q208 PolarHBondContact O-N 3.22Å; I206-Q208 VanDerWaalsContact O-N 3.15Å |
| 209 | L | 55.2 | Low | 63 | Low | 47 Ų | 47 | 101.5 Ų | 101.5 | 25% | 0.246 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 127.3 | 165.2 | -76.3 | 158.4 | 0 | 0 | 0 | 108.6 | A194 G207 Q213 F214 I217 | A194-L209 HydrophobicContact CB-CB 4.49Å; A194-L209 HydrophobicContact CB-CD2 3.33Å; A194-L209 HydrophobicContact CB-CG 3.8Å; G207-L209 PolarHBondContact O-N 3.26Å; G207-L209 VanDerWaalsContact O-N 3.17Å; L209-Q213 HydrophobicContact CD2-CB 3.62Å; L209-F214 HydrophobicContact CB-CB 4.17Å; L209-F214 HydrophobicContact CD1-CD2 4Å; L209-I217 HydrophobicContact CD1-CD1 4.11Å; L209-I217 HydrophobicContact CD2-CD1 3.54Å |
| 210 | R | 61.6 | Low | 62.5 | Low | 150 Ų | 150 | 99.5 Ų | 99.5 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 144.6 | 160.9 | -64.8 | -171.8 | -68.9 | 138.3 | -0.4 | 107.8 | E212 Q213 F214 | R210-E212 IonicContact CZ-OE2 2.95Å; R210-E212 IonicContact NH1-OE2 3.55Å; R210-E212 PolarHBondContact NH1-OE2 3.41Å; R210-E212 PolarHBondContact O-N 3.14Å; R210-Q213 HydrophobicContact CB-CG 4.39Å; R210-Q213 VanDerWaalsContact N-OE1 3.14Å; R210-Q213 WeakPolarHBondContact O-CA 3.17Å; R210-Q213 WeakPolarHBondContact O-CB 3.48Å; R210-Q213 PolarHBondContact O-N 3.13Å; R210-F214 PolarHBondContact O-N 3.49Å |
| 211 | N | 62.2 | Low | 62 | Low | 139 Ų | 139 | 99.5 Ų | 99.5 | 74% | 0.743 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -49.6 | -35.7 | 179.5 | -74.6 | -18.8 | 0 | 0 | 0 | 112.3 | F214 T215 | N211-F214 PolarHBondContact O-N 3.45Å; N211-T215 WeakPolarHBondContact O-CB 3.35Å; N211-T215 PolarHBondContact O-N 3.12Å; N211-T215 PolarHBondContact O-OG1 3.42Å |
| 212 | E | 60.5 | Low | 61.6 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -47 | 174.5 | -63.7 | 161.5 | -167 | 0 | 0 | 112.8 | R210 T215 Y216 | R210-E212 IonicContact CZ-OE2 2.95Å; R210-E212 IonicContact NH1-OE2 3.55Å; R210-E212 PolarHBondContact NH1-OE2 3.41Å; R210-E212 PolarHBondContact O-N 3.14Å; E212-T215 PolarHBondContact O-N 3.5Å; E212-Y216 PolarHBondContact O-N 3.43Å |
| 213 | Q | 53.1 | Low | 61.4 | Low | 72 Ų | 72 | 102.4 Ų | 102.4 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 178.7 | -67 | 173.4 | -52.2 | 0 | 0 | 111.2 | L209 R210 T215 Y216 I217 | L209-Q213 HydrophobicContact CD2-CB 3.62Å; R210-Q213 HydrophobicContact CB-CG 4.39Å; R210-Q213 VanDerWaalsContact N-OE1 3.14Å; R210-Q213 WeakPolarHBondContact O-CA 3.17Å; R210-Q213 WeakPolarHBondContact O-CB 3.48Å; R210-Q213 PolarHBondContact O-N 3.13Å; Q213-T215 VanDerWaalsContact C-N 3.32Å; Q213-T215 PolarHBondContact O-N 3.22Å; Q213-Y216 PolarHBondContact O-N 2.93Å; Q213-I217 VanDerWaalsContact O-CG1 3.24Å; Q213-I217 WeakPolarHBondContact O-CG1 3.37Å; Q213-I217 PolarHBondContact O-N 3.42Å |
| 214 | F | 57.1 | Low | 61 | Low | 109 Ų | 109 | 104 Ų | 104 | 48% | 0.478 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 173.8 | -175.5 | -101.8 | 0 | 0 | 0 | 111.3 | L209 R210 N211 I217 L218 | L209-F214 HydrophobicContact CB-CB 4.17Å; L209-F214 HydrophobicContact CD1-CD2 4Å; R210-F214 PolarHBondContact O-N 3.49Å; N211-F214 PolarHBondContact O-N 3.45Å; F214-I217 PolarHBondContact O-N 3.12Å; F214-L218 HydrophobicContact CD1-CD1 3.79Å; F214-L218 HydrophobicContact CD1-CG 4.35Å; F214-L218 HydrophobicContact CE1-CD1 3.35Å; F214-L218 HydrophobicContact CE1-CG 4.06Å; F214-L218 HydrophobicContact CZ-CD1 3.94Å; F214-L218 HydrophobicContact CZ-CD2 4.42Å; F214-L218 HydrophobicContact CZ-CG 4.27Å; F214-L218 WeakPolarHBondContact O-CG 3.46Å; F214-L218 PolarHBondContact O-N 2.84Å |
| 215 | T | 57.7 | Low | 60 | Low | 70 Ų | 70 | 101.9 Ų | 101.9 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.8 | -54 | 0 | 0 | 0 | 0 | 111.7 | N211 E212 Q213 L218 N219 | N211-T215 WeakPolarHBondContact O-CB 3.35Å; N211-T215 PolarHBondContact O-N 3.12Å; N211-T215 PolarHBondContact O-OG1 3.42Å; E212-T215 PolarHBondContact O-N 3.5Å; Q213-T215 VanDerWaalsContact C-N 3.32Å; Q213-T215 PolarHBondContact O-N 3.22Å; T215-L218 PolarHBondContact O-N 2.99Å; T215-N219 WeakPolarHBondContact O-CB 3.46Å; T215-N219 VanDerWaalsContact O-CG 3.3Å; T215-N219 PolarHBondContact O-N 3.06Å; T215-N219 VanDerWaalsContact O-N 3.07Å; T215-N219 PolarHBondContact O-ND2 3.06Å |
| 216 | Y | 61.1 | Low | 59.6 | Low | 168 Ų | 168 | 107 Ų | 107 | 66% | 0.659 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.4 | -51.7 | 174.2 | 179.1 | -97.2 | 0 | 0 | 0 | 111.2 | E212 Q213 L218 N219 T220 | E212-Y216 PolarHBondContact O-N 3.43Å; Q213-Y216 PolarHBondContact O-N 2.93Å; Y216-L218 VanDerWaalsContact C-N 3.31Å; Y216-L218 PolarHBondContact O-N 2.92Å; Y216-N219 CarbonylContact O-C 3.49Å; Y216-N219 PolarHBondContact O-N 2.96Å; Y216-T220 PolarHBondContact O-N 2.97Å; Y216-T220 PolarHBondContact O-OG1 2.83Å |
| 217 | I | 56.1 | Low | 58.3 | Low | 60 Ų | 60 | 110.1 Ų | 110.1 | 31% | 0.308 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 179.1 | -69.1 | 171.2 | 0 | 0 | 0 | 112.2 | L209 Q213 F214 N219 T220 W222 | L209-I217 HydrophobicContact CD1-CD1 4.11Å; L209-I217 HydrophobicContact CD2-CD1 3.54Å; Q213-I217 VanDerWaalsContact O-CG1 3.24Å; Q213-I217 WeakPolarHBondContact O-CG1 3.37Å; Q213-I217 PolarHBondContact O-N 3.42Å; F214-I217 PolarHBondContact O-N 3.12Å; I217-N219 VanDerWaalsContact C-N 3.32Å; I217-T220 PolarHBondContact O-N 2.93Å; I217-W222 HydrophobicContact CG2-CH2 4.37Å; I217-W222 HydrophobicContact CG2-CZ2 3.74Å; I217-W222 PolarHBondContact O-NE1 3.24Å |
| 218 | L | 59.5 | Low | 57.2 | Low | 111 Ų | 111 | 117 Ų | 117 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66 | -34.5 | 176.2 | -75.5 | 179.3 | 0 | 0 | 0 | 112.9 | F214 T215 Y216 | F214-L218 HydrophobicContact CD1-CD1 3.79Å; F214-L218 HydrophobicContact CD1-CG 4.35Å; F214-L218 HydrophobicContact CE1-CD1 3.35Å; F214-L218 HydrophobicContact CE1-CG 4.06Å; F214-L218 HydrophobicContact CZ-CD1 3.94Å; F214-L218 HydrophobicContact CZ-CD2 4.42Å; F214-L218 HydrophobicContact CZ-CG 4.27Å; F214-L218 WeakPolarHBondContact O-CG 3.46Å; F214-L218 PolarHBondContact O-N 2.84Å; T215-L218 PolarHBondContact O-N 2.99Å; Y216-L218 VanDerWaalsContact C-N 3.31Å; Y216-L218 PolarHBondContact O-N 2.92Å |
| 219 | N | 67.8 | Low | 56.2 | Low | 128 Ų | 128 | 112.9 Ų | 112.9 | 68% | 0.684 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -89.1 | -10.9 | -179.2 | -67.3 | -17.8 | 0 | 0 | 0 | 113 | T215 Y216 I217 N221 | T215-N219 WeakPolarHBondContact O-CB 3.46Å; T215-N219 VanDerWaalsContact O-CG 3.3Å; T215-N219 PolarHBondContact O-N 3.06Å; T215-N219 VanDerWaalsContact O-N 3.07Å; T215-N219 PolarHBondContact O-ND2 3.06Å; Y216-N219 CarbonylContact O-C 3.49Å; Y216-N219 PolarHBondContact O-N 2.96Å; I217-N219 VanDerWaalsContact C-N 3.32Å; N219-N221 PolarHBondContact O-N 3.05Å |
| 220 | T | 63.7 | Low | 55.4 | Low | 33 Ų | 33 | 116.6 Ų | 116.6 | 20% | 0.202 | 59% | 0.585 | C | S | . | * | S | Bend | trans | -63.1 | 120.6 | 174.3 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | Y216 I217 W222 L225 | Y216-T220 PolarHBondContact O-N 2.97Å; Y216-T220 PolarHBondContact O-OG1 2.83Å; I217-T220 PolarHBondContact O-N 2.93Å; T220-W222 PolarHBondContact O-N 3.5Å; T220-W222 PolarHBondContact O-NE1 2.95Å; T220-L225 HydrophobicContact CG2-CD1 4.39Å |
| 221 | N | 55.9 | Low | 54.3 | Low | 80 Ų | 80 | 114.9 Ų | 114.9 | 43% | 0.428 | 59% | 0.591 | S | S | . | * | trans | -69.6 | 102.6 | 169.4 | -176.4 | 14.6 | 0 | 0 | 0 | 108.8 | N219 N223 D224 | N219-N221 PolarHBondContact O-N 3.05Å; N221-N223 PolarHBondContact O-N 2.82Å; N221-N223 VanDerWaalsContact O-N 3.14Å; N221-N223 WeakPolarHBondContact OD1-CB 3.31Å; N221-N223 PolarHBondContact OD1-N 2.83Å; N221-N223 PolarHBondContact OD1-ND2 3.25Å; N221-D224 PolarHBondContact ND2-OD2 2.97Å; N221-D224 PolarHBondContact O-N 3.33Å | ||
| 222 | W | 58.3 | Low | 52.9 | Low | 161 Ų | 161 | 117.3 Ų | 117.3 | 61% | 0.61 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -66.2 | -12.9 | -179.3 | -64.5 | 89.1 | 0 | 0 | 0 | 113.6 | I217 T220 D224 L225 | I217-W222 HydrophobicContact CG2-CH2 4.37Å; I217-W222 HydrophobicContact CG2-CZ2 3.74Å; I217-W222 PolarHBondContact O-NE1 3.24Å; T220-W222 PolarHBondContact O-N 3.5Å; T220-W222 PolarHBondContact O-NE1 2.95Å; W222-D224 VanDerWaalsContact C-N 3.3Å; W222-L225 HydrophobicContact CD2-CD1 3.96Å; W222-L225 HydrophobicContact CE3-CD1 3.17Å; W222-L225 HydrophobicContact CZ3-CD1 3.53Å |
| 223 | N | 61.8 | Low | 51.8 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 75% | 0.754 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -77 | -14.4 | 176.7 | -59.4 | -50 | 0 | 0 | 0 | 113.4 | N221 | N221-N223 PolarHBondContact O-N 2.82Å; N221-N223 VanDerWaalsContact O-N 3.14Å; N221-N223 WeakPolarHBondContact OD1-CB 3.31Å; N221-N223 PolarHBondContact OD1-N 2.83Å; N221-N223 PolarHBondContact OD1-ND2 3.25Å |
| 224 | D | 54.6 | Low | 51 | Low | 125 Ų | 125 | 123.1 Ų | 123.1 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -101.8 | 11.3 | -179.9 | -66.4 | -35.9 | 0 | 0 | 0 | 113.1 | N221 W222 D226 | N221-D224 PolarHBondContact ND2-OD2 2.97Å; N221-D224 PolarHBondContact O-N 3.33Å; W222-D224 VanDerWaalsContact C-N 3.3Å; D224-D226 PolarHBondContact O-N 3.3Å |
| 225 | L | 47.9 | Very low | 50.7 | Low | 69 Ų | 69 | 123.9 Ų | 123.9 | 36% | 0.361 | 65% | 0.654 | S | S | . | * | trans | -90.1 | 66 | 178.9 | -73.4 | 165.9 | 0 | 0 | 0 | 111.5 | T220 W222 E227 | T220-L225 HydrophobicContact CG2-CD1 4.39Å; W222-L225 HydrophobicContact CD2-CD1 3.96Å; W222-L225 HydrophobicContact CE3-CD1 3.17Å; W222-L225 HydrophobicContact CZ3-CD1 3.53Å; L225-E227 PolarHBondContact O-N 3.34Å | ||
| 226 | D | 56.2 | Low | 50.3 | Low | 162 Ų | 162 | 126.7 Ų | 126.7 | 87% | 0.866 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -70.1 | -16.1 | 168.3 | -81.6 | -30.8 | 0 | 0 | 0 | 112.3 | D224 | D224-D226 PolarHBondContact O-N 3.3Š|
| 227 | E | 42.5 | Very low | 49.7 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | trans | -138.3 | 113.1 | 174.9 | -75 | -176.7 | 161.9 | 0 | 0 | 111.4 | L225 P229 | L225-E227 PolarHBondContact O-N 3.34Å; E227-P229 VanDerWaalsContact O-CD 3.3Å; E227-P229 WeakPolarHBondContact O-CD 3.34Å | ||
| 228 | I | 46 | Very low | 49.4 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | trans | -73.7 | 115.9 | 164.8 | -58.6 | 173.7 | 0 | 0 | 0 | 106.9 | ||||
| 229 | P | 42.2 | Very low | 48.7 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 62% | 0.617 | 69% | 0.694 | S | S | * | * | trans | -67.4 | 140 | -178.4 | 24.9 | -31.6 | 0 | 0 | 0 | 110.9 | E227 V231 | E227-P229 VanDerWaalsContact O-CD 3.3Å; E227-P229 WeakPolarHBondContact O-CD 3.34Å; P229-V231 PolarHBondContact O-N 2.89Å | ||
| 230 | P | 36.5 | Very low | 47.4 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | trans | -64.5 | 126.4 | -178 | 24 | -32.2 | 0 | 0 | 0 | 111.1 | K232 | P230-K232 PolarHBondContact O-N 2.89Š| ||
| 231 | V | 40.2 | Very low | 46.3 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | trans | -70.5 | 113.5 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | V193 P229 A233 | V193-V231 HydrophobicContact CG2-CG1 4.1Å; P229-V231 PolarHBondContact O-N 2.89Å; V231-A233 PolarHBondContact O-N 2.85Å | ||
| 232 | K | 32.6 | Very low | 45.5 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -72.1 | 118.4 | 168.5 | -74.2 | -174.9 | 178.1 | 179.9 | 0 | 108.5 | P230 N234 | P230-K232 PolarHBondContact O-N 2.89Å; K232-N234 PolarHBondContact O-N 3.45Å | ||
| 233 | A | 37 | Very low | 44.5 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | -65.8 | 123.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | V231 | V231-A233 PolarHBondContact O-N 2.85Š| ||
| 234 | N | 36.3 | Very low | 42.9 | Very low | 230 Ų | 230 | 138.6 Ų | 138.6 | 100% | 1.23 | 77% | 0.766 | S | S | * | * | trans | -90.4 | 0 | 162 | -77.6 | -16.1 | 0 | 0 | 0 | 108.8 | K232 | K232-N234 PolarHBondContact O-N 3.45Š|
Retrieved 234 of 234 residues in 111.5 ms
(Link to these results)