| 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 | 48.8 | Very low | 57.7 | Low | 251 Ų | 251 | 164.3 Ų | 164.3 | 100% | 1.236 | 88% | 0.884 | S | S | * | * | 0 | 113.9 | 0 | -70.6 | -169.7 | 171.7 | 0 | 0 | 107.8 | |||||
| 2 | G | 43.3 | Very low | 58.3 | Low | 84 Ų | 84 | 161.9 Ų | 161.9 | 87% | 0.866 | 88% | 0.88 | S | S | * | * | trans | -88.5 | 143.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3 | S | 57.1 | Low | 58.7 | Low | 120 Ų | 120 | 157.5 Ų | 157.5 | 84% | 0.839 | 87% | 0.868 | S | S | * | * | trans | -106.7 | 119.4 | 169.5 | 153 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | Q | 59 | Low | 59 | Low | 184 Ų | 184 | 152.1 Ų | 152.1 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -84.7 | 124.1 | -177.8 | -64.4 | -175.9 | -4.5 | 0 | 0 | 110.2 | R6 | Q4-R6 PolarHBondContact O-N 3.25Å; Q4-R6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | H | 57 | Low | 58.7 | Low | 195 Ų | 195 | 147.2 Ų | 147.2 | 90% | 0.903 | 85% | 0.852 | S | S | * | * | trans | -65.2 | 103.8 | 164.4 | -103.2 | -87.8 | 0 | 0 | 0 | 109.4 | G7 | H5-G7 PolarHBondContact O-N 3.48Š| ||
| 6 | R | 58.9 | Low | 58.4 | Low | 238 Ų | 238 | 151.9 Ų | 151.9 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | trans | -68 | 110 | 164 | -97.5 | -173.3 | -178.3 | -158.8 | 1.5 | 108.7 | Q4 | Q4-R6 PolarHBondContact O-N 3.25Å; Q4-R6 VanDerWaalsContact O-N 3.11Å | ||
| 7 | G | 51.3 | Low | 59.2 | Low | 74 Ų | 74 | 154.7 Ų | 154.7 | 76% | 0.763 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H5 | H5-G7 PolarHBondContact O-N 3.48Š|
| 8 | L | 63.2 | Low | 59.8 | Low | 170 Ų | 170 | 152.2 Ų | 152.2 | 89% | 0.89 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 136.8 | 169.1 | -78.5 | 158.2 | 0 | 0 | 0 | 109.9 | ||
| 9 | P | 68.2 | Low | 60.5 | Low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 131.3 | 179.1 | 28 | -31.3 | 0 | 0 | 0 | 110.6 | T11 | P9-T11 PolarHBondContact O-N 3.27Š|
| 10 | R | 61.9 | Low | 60.9 | Low | 246 Ų | 246 | 148.7 Ų | 148.7 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | trans | -74.2 | 110 | 177.3 | -150 | 175.7 | -165.8 | 145.9 | 0.3 | 108.5 | T12 | R10-T12 PolarHBondContact O-N 3.38Š| ||
| 11 | T | 65.8 | Low | 60.8 | Low | 134 Ų | 134 | 148 Ų | 148 | 82% | 0.822 | 84% | 0.837 | S | S | * | * | trans | -76.6 | 112.9 | 175.2 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | P9 S13 | P9-T11 PolarHBondContact O-N 3.27Å; T11-S13 PolarHBondContact O-N 2.82Å | ||
| 12 | T | 64.6 | Low | 61.1 | Low | 136 Ų | 136 | 147.4 Ų | 147.4 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 121.9 | 171.7 | -47.7 | 0 | 0 | 0 | 0 | 109.3 | R10 A14 | R10-T12 PolarHBondContact O-N 3.38Å; T12-A14 PolarHBondContact O-N 3.17Å |
| 13 | S | 64.5 | Low | 61.6 | Low | 104 Ų | 104 | 152.2 Ų | 152.2 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.1 | 173.7 | 168.9 | 0 | 0 | 0 | 0 | 109.4 | T11 G15 | T11-S13 PolarHBondContact O-N 2.82Å; S13-G15 PolarHBondContact O-N 3.15Å |
| 14 | A | 62.5 | Low | 61.6 | Low | 83 Ų | 83 | 154.5 Ų | 154.5 | 69% | 0.686 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 128.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | T12 Y16 | T12-A14 PolarHBondContact O-N 3.17Å; A14-Y16 PolarHBondContact O-N 3.24Å; A14-Y16 VanDerWaalsContact O-N 3.16Å |
| 15 | G | 54 | Low | 61.1 | Low | 78 Ų | 78 | 149.9 Ų | 149.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -59.3 | 114.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S13 K17 | S13-G15 PolarHBondContact O-N 3.15Å; G15-K17 PolarHBondContact O-N 2.9Å | ||
| 16 | Y | 54.3 | Low | 60.8 | Low | 223 Ų | 223 | 145.9 Ų | 145.9 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -69.9 | 110.4 | 164.9 | -82.7 | -93 | 0 | 0 | 0 | 108.6 | A14 P18 | A14-Y16 PolarHBondContact O-N 3.24Å; A14-Y16 VanDerWaalsContact O-N 3.16Å; Y16-P18 WeakPolarHBondContact O-CD 3.45Å | ||
| 17 | K | 71.6 | Confident | 60.2 | Low | 199 Ų | 199 | 142.5 Ų | 142.5 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 119.3 | 163.8 | -113.2 | -177.3 | 177.4 | 179.6 | 0 | 107.6 | G15 | G15-K17 PolarHBondContact O-N 2.9Š|
| 18 | P | 70.4 | Confident | 60 | Low | 109 Ų | 109 | 143.9 Ų | 143.9 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 145 | 172 | 25.1 | -30.8 | 0 | 0 | 0 | 110 | Y16 | Y16-P18 WeakPolarHBondContact O-CD 3.45Š|
| 19 | P | 72.3 | Confident | 59.2 | Low | 112 Ų | 112 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 142.8 | 176.4 | 25.6 | -31.9 | 0 | 0 | 0 | 110 | T21 | P19-T21 PolarHBondContact O-N 3.3Š|
| 20 | P | 69.3 | Low | 58.1 | Low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61 | 122 | 178 | 23.8 | -31.3 | 0 | 0 | 0 | 109.7 | R22 | P20-R22 PolarHBondContact O-N 3.01Š|
| 21 | T | 58.3 | Low | 57.3 | Low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -57.9 | 107.2 | 175.5 | -39.1 | 0 | 0 | 0 | 0 | 108.5 | P19 Q23 | P19-T21 PolarHBondContact O-N 3.3Å; T21-Q23 PolarHBondContact O-N 3.09Å; T21-Q23 VanDerWaalsContact O-N 3.07Å | ||
| 22 | R | 55.1 | Low | 56.4 | Low | 240 Ų | 240 | 132.9 Ų | 132.9 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -60.7 | 113.5 | 165.4 | -89.6 | -177.6 | 172.5 | 160.6 | -2.2 | 106.8 | P20 L24 | P20-R22 PolarHBondContact O-N 3.01Å; R22-L24 PolarHBondContact O-N 3.07Å; R22-L24 VanDerWaalsContact O-N 3.09Å | ||
| 23 | Q | 55.2 | Low | 55.4 | Low | 185 Ų | 185 | 134.3 Ų | 134.3 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 116.2 | 165.4 | -78.7 | 177.8 | -23.1 | 0 | 0 | 107.5 | T21 A25 | T21-Q23 PolarHBondContact O-N 3.09Å; T21-Q23 VanDerWaalsContact O-N 3.07Å; Q23-A25 PolarHBondContact O-N 3.17Å |
| 24 | L | 56.4 | Low | 54.7 | Low | 167 Ų | 167 | 132.9 Ų | 132.9 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.4 | 164.4 | -78.7 | 162.3 | 0 | 0 | 0 | 106.8 | R22 S26 | R22-L24 PolarHBondContact O-N 3.07Å; R22-L24 VanDerWaalsContact O-N 3.09Å; L24-S26 PolarHBondContact O-N 3.18Å |
| 25 | A | 49.4 | Very low | 54.2 | Low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 121.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q23 I27 | Q23-A25 PolarHBondContact O-N 3.17Å; A25-I27 PolarHBondContact O-N 3.26Å; A25-I27 VanDerWaalsContact O-N 3.15Å |
| 26 | S | 49.2 | Very low | 53.9 | Low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 116.2 | 163.5 | -63.1 | 0 | 0 | 0 | 0 | 107.8 | L24 S28 | L24-S26 PolarHBondContact O-N 3.18Å; S26-S28 PolarHBondContact O-N 3.16Å |
| 27 | I | 47.1 | Very low | 53.6 | Low | 168 Ų | 168 | 130.5 Ų | 130.5 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | trans | -72.3 | 86.2 | 172.5 | -52.3 | 170.2 | 0 | 0 | 0 | 106.1 | A25 A29 | A25-I27 PolarHBondContact O-N 3.26Å; A25-I27 VanDerWaalsContact O-N 3.15Å; I27-A29 PolarHBondContact O-N 3.5Å | ||
| 28 | S | 46.2 | Very low | 52.5 | Low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -71.6 | 108.3 | 164.4 | -73.7 | 0 | 0 | 0 | 0 | 107.5 | S26 A30 | S26-S28 PolarHBondContact O-N 3.16Å; S28-A30 PolarHBondContact O-N 3.31Å | ||
| 29 | A | 47.2 | Very low | 51.6 | Low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -64.3 | 82.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | I27 L31 | I27-A29 PolarHBondContact O-N 3.5Å; A29-L31 PolarHBondContact O-N 3.36Å | ||
| 30 | A | 44.3 | Very low | 50.1 | Low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | -79 | 94.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108 | S28 G32 | S28-A30 PolarHBondContact O-N 3.31Å; A30-G32 PolarHBondContact O-N 2.83Å | ||
| 31 | L | 44.8 | Very low | 49 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | -24.3 | 113.4 | 148.4 | -169.4 | 68.8 | 0 | 0 | 0 | 111.3 | A29 | A29-L31 PolarHBondContact O-N 3.36Š| ||
| 32 | G | 48.7 | Very low | 48.5 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | -154.4 | 106.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | A30 | A30-G32 PolarHBondContact O-N 2.83Š| ||
| 33 | D | 42.5 | Very low | 47.7 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -56.4 | 129.4 | -169.8 | -64.8 | -67.5 | 0 | 0 | 0 | 114.9 | ||||
| 34 | G | 49.4 | Very low | 46.8 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -137.4 | 112.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 35 | P | 52.8 | Low | 45.9 | Very low | 128 Ų | 128 | 118.8 Ų | 118.8 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -84.3 | 157.8 | -171.5 | 33.8 | -33 | 0 | 0 | 0 | 112.3 | ||||
| 36 | A | 47 | Very low | 45.6 | Very low | 100 Ų | 100 | 124 Ų | 124 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | 88.7 | 92.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 37 | A | 49 | Very low | 45.3 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | -177.1 | 95.2 | 111.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R39 | A37-R39 PolarHBondContact O-N 3.23Š| |||
| 38 | S | 48.9 | Very low | 45.6 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -65.4 | 120 | 175.6 | -50.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 39 | R | 51.2 | Low | 45.9 | Very low | 255 Ų | 255 | 119.4 Ų | 119.4 | 96% | 0.962 | 81% | 0.812 | S | S | * | * | trans | -130.1 | 97.3 | 143 | -86.4 | -173.3 | 178.2 | 145.9 | 0.4 | 108.2 | A37 | A37-R39 PolarHBondContact O-N 3.23Š| ||
| 40 | A | 39.4 | Very low | 46.1 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -72.1 | 140.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 41 | L | 47.9 | Very low | 46.7 | Very low | 171 Ų | 171 | 120.1 Ų | 120.1 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | 157.8 | 141.6 | 117.9 | -91.4 | 144.3 | 0 | 0 | 0 | 111.8 | |||||
| 42 | A | 46.6 | Very low | 47.5 | Very low | 95 Ų | 95 | 114.3 Ų | 114.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 88 | 91.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 43 | G | 39.4 | Very low | 48.3 | Very low | 87 Ų | 87 | 116 Ų | 116 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | 86.9 | 124.5 | 125.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 44 | G | 36.5 | Very low | 49.9 | Very low | 69 Ų | 69 | 113.7 Ų | 113.7 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 150.9 | 93.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q46 | G44-Q46 PolarHBondContact O-N 2.88Š| ||
| 45 | C | 36.7 | Very low | 51.2 | Low | 137 Ų | 137 | 114.3 Ų | 114.3 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | trans | -44.7 | 106.1 | 166.6 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | G47 | C45-G47 PolarHBondContact O-N 3.49Š| ||
| 46 | Q | 43.1 | Very low | 52.8 | Low | 197 Ų | 197 | 112 Ų | 112 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | -76 | 75.8 | 160.7 | -69.6 | -150.4 | 23.7 | 0 | 0 | 107.5 | G44 | G44-Q46 PolarHBondContact O-N 2.88Š| ||
| 47 | G | 43 | Very low | 54.6 | Low | 59 Ų | 59 | 112.9 Ų | 112.9 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -66.6 | 128.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | C45 | C45-G47 PolarHBondContact O-N 3.49Š| ||
| 48 | T | 52.8 | Low | 56.5 | Low | 132 Ų | 132 | 112.5 Ų | 112.5 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -43.2 | 123.7 | 167.3 | -25 | 0 | 0 | 0 | 0 | 107.9 | A50 | T48-A50 PolarHBondContact O-N 3.1Š| ||
| 49 | P | 52.5 | Low | 58.2 | Low | 93 Ų | 93 | 113.9 Ų | 113.9 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | trans | -56.1 | 117.3 | 175.3 | 22.4 | -30.8 | 0 | 0 | 0 | 106.7 | L51 | P49-L51 PolarHBondContact O-N 3.11Š| ||
| 50 | A | 51.8 | Low | 60.1 | Low | 65 Ų | 65 | 108.6 Ų | 108.6 | 54% | 0.537 | 66% | 0.659 | S | S | . | * | trans | -53.5 | 120 | 178.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | T48 G52 V53 | T48-A50 PolarHBondContact O-N 3.1Å; A50-G52 PolarHBondContact O-N 2.94Å; A50-V53 HydrophobicContact CB-CG2 4.45Å; A50-V53 PolarHBondContact O-N 2.91Å | ||
| 51 | L | 57.6 | Low | 62.5 | Low | 143 Ų | 143 | 109.8 Ų | 109.8 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -46.5 | -30.5 | -175.4 | -93.8 | 123.4 | 0 | 0 | 0 | 113.2 | P49 V53 Q54 Q55 | P49-L51 PolarHBondContact O-N 3.11Å; L51-V53 PolarHBondContact O-N 3.06Å; L51-Q54 PolarHBondContact O-N 3Å; L51-Q55 PolarHBondContact O-N 3.13Å |
| 52 | G | 61.5 | Low | 64.5 | Low | 48 Ų | 48 | 105 Ų | 105 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A50 Q55 D56 | A50-G52 PolarHBondContact O-N 2.94Å; G52-Q55 PolarHBondContact O-N 2.88Å; G52-D56 PolarHBondContact O-N 3.49Å |
| 53 | V | 65.3 | Low | 66.6 | Low | 104 Ų | 104 | 103.7 Ų | 103.7 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70 | -37 | 177.1 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | A50 L51 D56 Q57 | A50-V53 HydrophobicContact CB-CG2 4.45Å; A50-V53 PolarHBondContact O-N 2.91Å; L51-V53 PolarHBondContact O-N 3.06Å; V53-D56 PolarHBondContact O-N 2.92Å; V53-Q57 PolarHBondContact O-N 3.05Å; V53-Q57 VanDerWaalsContact O-N 3.1Å |
| 54 | Q | 76.4 | Confident | 69.2 | Low | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.8 | -36.4 | 175.9 | -165.4 | 172.6 | 33.6 | 0 | 0 | 111.6 | L51 Q57 L58 | L51-Q54 PolarHBondContact O-N 3Å; Q54-Q57 PolarHBondContact O-N 3.16Å; Q54-L58 WeakPolarHBondContact O-CG 3.34Å; Q54-L58 PolarHBondContact O-N 3.35Å |
| 55 | Q | 76.6 | Confident | 71.8 | Confident | 86 Ų | 86 | 103.8 Ų | 103.8 | 40% | 0.402 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66 | -41.5 | 175 | -167.8 | 175.4 | 7.1 | 0 | 0 | 112.1 | L51 G52 Q57 L58 W59 | L51-Q55 PolarHBondContact O-N 3.13Å; G52-Q55 PolarHBondContact O-N 2.88Å; Q55-Q57 VanDerWaalsContact C-N 3.29Å; Q55-Q57 PolarHBondContact O-N 3.48Å; Q55-L58 PolarHBondContact O-N 3.4Å; Q55-W59 WeakPolarHBondContact O-CB 3.38Å; Q55-W59 PolarHBondContact O-N 3.33Å |
| 56 | D | 85 | Confident | 74.4 | Confident | 79 Ų | 79 | 102 Ų | 102 | 42% | 0.422 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.8 | -37.4 | 176 | -150 | 65.9 | 0 | 0 | 0 | 111.3 | G52 V53 W59 R60 | G52-D56 PolarHBondContact O-N 3.49Å; V53-D56 PolarHBondContact O-N 2.92Å; D56-W59 PolarHBondContact O-N 3.4Å; D56-R60 VanDerWaalsContact O-CG 3.3Å; D56-R60 WeakPolarHBondContact O-CG 3.32Å; D56-R60 PolarHBondContact O-N 2.99Å; D56-R60 IonicContact OD2-CZ 3.36Å; D56-R60 IonicContact OD2-NE 3.58Å; D56-R60 PolarHBondContact OD2-NE 3.01Å; D56-R60 VanDerWaalsContact OD2-NE 3.12Å; D56-R60 IonicContact OD2-NH2 3.12Å; D56-R60 PolarHBondContact OD2-NH2 2.82Å |
| 57 | Q | 86.2 | Confident | 76.7 | Confident | 119 Ų | 119 | 94.5 Ų | 94.5 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -45.4 | 174.7 | -172.9 | 61.9 | 34.4 | 0 | 0 | 112.4 | V53 Q54 Q55 W59 R60 E61 | V53-Q57 PolarHBondContact O-N 3.05Å; V53-Q57 VanDerWaalsContact O-N 3.1Å; Q54-Q57 PolarHBondContact O-N 3.16Å; Q55-Q57 VanDerWaalsContact C-N 3.29Å; Q55-Q57 PolarHBondContact O-N 3.48Å; Q57-W59 VanDerWaalsContact C-N 3.31Å; Q57-W59 PolarHBondContact O-N 2.82Å; Q57-R60 PolarHBondContact O-N 2.84Å; Q57-E61 PolarHBondContact O-N 2.8Å |
| 58 | L | 87.4 | Confident | 79 | Confident | 98 Ų | 98 | 96.9 Ų | 96.9 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 175.8 | -73 | 172.2 | 0 | 0 | 0 | 111.6 | Q54 Q55 E61 L62 | Q54-L58 WeakPolarHBondContact O-CG 3.34Å; Q54-L58 PolarHBondContact O-N 3.35Å; Q55-L58 PolarHBondContact O-N 3.4Å; L58-E61 PolarHBondContact O-N 3.2Å; L58-L62 WeakPolarHBondContact O-CG 3.3Å; L58-L62 PolarHBondContact O-N 3.16Å |
| 59 | W | 84.5 | Confident | 80.8 | Confident | 152 Ų | 152 | 92 Ų | 92 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 176 | -178.5 | -110.3 | 0 | 0 | 0 | 111.8 | Q55 D56 Q57 E61 L62 V63 | Q55-W59 WeakPolarHBondContact O-CB 3.38Å; Q55-W59 PolarHBondContact O-N 3.33Å; D56-W59 PolarHBondContact O-N 3.4Å; Q57-W59 VanDerWaalsContact C-N 3.31Å; Q57-W59 PolarHBondContact O-N 2.82Å; W59-E61 VanDerWaalsContact C-N 3.34Å; W59-E61 PolarHBondContact O-N 3.49Å; W59-L62 PolarHBondContact O-N 3.14Å; W59-V63 HydrophobicContact CD2-CG2 4.38Å; W59-V63 HydrophobicContact CZ2-CG2 4.21Å; W59-V63 WeakPolarHBondContact O-CG2 3.42Å; W59-V63 PolarHBondContact O-N 3.39Å |
| 60 | R | 91.1 | Very high | 82.4 | Confident | 144 Ų | 144 | 92.6 Ų | 92.6 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 174.9 | -72.3 | 170.5 | -174.8 | -83.9 | -3.5 | 111.9 | D56 Q57 L62 V63 E64 | D56-R60 VanDerWaalsContact O-CG 3.3Å; D56-R60 WeakPolarHBondContact O-CG 3.32Å; D56-R60 PolarHBondContact O-N 2.99Å; D56-R60 IonicContact OD2-CZ 3.36Å; D56-R60 IonicContact OD2-NE 3.58Å; D56-R60 PolarHBondContact OD2-NE 3.01Å; D56-R60 VanDerWaalsContact OD2-NE 3.12Å; D56-R60 IonicContact OD2-NH2 3.12Å; D56-R60 PolarHBondContact OD2-NH2 2.82Å; Q57-R60 PolarHBondContact O-N 2.84Å; R60-L62 PolarHBondContact O-N 3.37Å; R60-V63 PolarHBondContact O-N 3.1Å; R60-E64 PolarHBondContact O-N 2.82Å |
| 61 | E | 91 | Very high | 84 | Confident | 111 Ų | 111 | 97.7 Ų | 97.7 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 178.6 | -171.2 | 175.1 | 177.7 | 0 | 0 | 112.3 | Q57 L58 W59 E64 A65 | Q57-E61 PolarHBondContact O-N 2.8Å; L58-E61 PolarHBondContact O-N 3.2Å; W59-E61 VanDerWaalsContact C-N 3.34Å; W59-E61 PolarHBondContact O-N 3.49Å; E61-E64 PolarHBondContact O-N 3.04Å; E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.43Å; E61-A65 PolarHBondContact O-N 3Å |
| 62 | L | 90.1 | Very high | 85.4 | Confident | 70 Ų | 70 | 98.3 Ų | 98.3 | 37% | 0.366 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 175.3 | -75.7 | 169.5 | 0 | 0 | 0 | 112 | L58 W59 R60 A65 E66 | L58-L62 WeakPolarHBondContact O-CG 3.3Å; L58-L62 PolarHBondContact O-N 3.16Å; W59-L62 PolarHBondContact O-N 3.14Å; R60-L62 PolarHBondContact O-N 3.37Å; L62-A65 PolarHBondContact O-N 2.92Å; L62-E66 PolarHBondContact O-N 3.34Å |
| 63 | V | 91 | Very high | 86.4 | Confident | 69 Ų | 69 | 101.2 Ų | 101.2 | 42% | 0.418 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | W59 R60 E66 A67 | W59-V63 HydrophobicContact CD2-CG2 4.38Å; W59-V63 HydrophobicContact CZ2-CG2 4.21Å; W59-V63 WeakPolarHBondContact O-CG2 3.42Å; W59-V63 PolarHBondContact O-N 3.39Å; R60-V63 PolarHBondContact O-N 3.1Å; V63-E66 PolarHBondContact O-N 3.32Å; V63-A67 PolarHBondContact O-N 3.46Å |
| 64 | E | 92.3 | Very high | 87.2 | Confident | 120 Ų | 120 | 101.8 Ų | 101.8 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.2 | -37.9 | 175.7 | -74 | -172.4 | -175.8 | 0 | 0 | 112.6 | R60 E61 E66 A67 R68 | R60-E64 PolarHBondContact O-N 2.82Å; E61-E64 PolarHBondContact O-N 3.04Å; E64-E66 VanDerWaalsContact C-N 3.34Å; E64-E66 PolarHBondContact O-N 2.99Å; E64-A67 PolarHBondContact O-N 2.93Å; E64-R68 WeakPolarHBondContact O-CG 3.47Å; E64-R68 PolarHBondContact O-N 3.47Å; E64-R68 IonicContact OE2-NH1 3.7Å |
| 65 | A | 91.3 | Very high | 87.3 | Confident | 38 Ų | 38 | 101 Ų | 101 | 31% | 0.314 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E61 L62 R68 G69 | E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.43Å; E61-A65 PolarHBondContact O-N 3Å; L62-A65 PolarHBondContact O-N 2.92Å; A65-R68 PolarHBondContact O-N 3.44Å; A65-G69 PolarHBondContact O-N 3.46Å |
| 66 | E | 92.5 | Very high | 87.3 | Confident | 100 Ų | 100 | 105 Ų | 105 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 173.4 | -178.1 | 166.6 | -155.1 | 0 | 0 | 111.4 | L62 V63 E64 R68 G69 Q70 | L62-E66 PolarHBondContact O-N 3.34Å; V63-E66 PolarHBondContact O-N 3.32Å; E64-E66 VanDerWaalsContact C-N 3.34Å; E64-E66 PolarHBondContact O-N 2.99Å; E66-R68 VanDerWaalsContact C-N 3.32Å; E66-R68 PolarHBondContact O-N 3.01Å; E66-G69 CarbonylContact O-C 3.55Å; E66-G69 WeakPolarHBondContact O-CA 3.49Å; E66-G69 PolarHBondContact O-N 2.95Å; E66-Q70 PolarHBondContact O-N 3.4Å |
| 67 | A | 91.2 | Very high | 86.8 | Confident | 38 Ų | 38 | 108.9 Ų | 108.9 | 31% | 0.314 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V63 E64 G69 Q70 R71 | V63-A67 PolarHBondContact O-N 3.46Å; E64-A67 PolarHBondContact O-N 2.93Å; A67-G69 VanDerWaalsContact C-N 3.33Å; A67-Q70 PolarHBondContact O-N 3.36Å; A67-R71 WeakPolarHBondContact O-CG 3.41Å; A67-R71 PolarHBondContact O-N 3.3Å |
| 68 | R | 91.9 | Very high | 86.1 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 172.5 | -69.6 | -170.7 | -59.4 | -92.9 | 4.5 | 112 | E64 A65 E66 R72 | E64-R68 WeakPolarHBondContact O-CG 3.47Å; E64-R68 PolarHBondContact O-N 3.47Å; E64-R68 IonicContact OE2-NH1 3.7Å; A65-R68 PolarHBondContact O-N 3.44Å; E66-R68 VanDerWaalsContact C-N 3.32Å; E66-R68 PolarHBondContact O-N 3.01Å; R68-R72 WeakPolarHBondContact O-CG 3.35Å; R68-R72 PolarHBondContact O-N 3.32Å; R68-R72 VanDerWaalsContact O-N 3.16Å; R68-R72 PolarHBondContact O-NE 3.19Å |
| 69 | G | 89.1 | Confident | 84.9 | Confident | 30 Ų | 30 | 107.1 Ų | 107.1 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A65 E66 A67 R72 W73 | A65-G69 PolarHBondContact O-N 3.46Å; E66-G69 CarbonylContact O-C 3.55Å; E66-G69 WeakPolarHBondContact O-CA 3.49Å; E66-G69 PolarHBondContact O-N 2.95Å; A67-G69 VanDerWaalsContact C-N 3.33Å; G69-R72 PolarHBondContact O-N 3.32Å; G69-W73 PolarHBondContact O-N 2.99Å |
| 70 | Q | 86 | Confident | 83.7 | Confident | 104 Ų | 104 | 109.1 Ų | 109.1 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 178 | -72.5 | 177 | -2.4 | 0 | 0 | 111.7 | E66 A67 R72 W73 E74 | E66-Q70 PolarHBondContact O-N 3.4Å; A67-Q70 PolarHBondContact O-N 3.36Å; Q70-R72 VanDerWaalsContact C-N 3.32Å; Q70-R72 PolarHBondContact O-N 2.95Å; Q70-W73 WeakPolarHBondContact O-CA 3.38Å; Q70-W73 WeakPolarHBondContact O-CB 3.47Å; Q70-W73 PolarHBondContact O-N 3.07Å; Q70-E74 WeakPolarHBondContact O-CG 3.4Å; Q70-E74 PolarHBondContact O-N 3.46Å |
| 71 | R | 87 | Confident | 81.9 | Confident | 173 Ų | 173 | 107 Ų | 107 | 65% | 0.653 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.8 | -44.2 | 175.8 | -70.5 | 178.8 | -170.5 | -173.6 | 3.9 | 112.3 | A67 W73 E74 I75 | A67-R71 WeakPolarHBondContact O-CG 3.41Å; A67-R71 PolarHBondContact O-N 3.3Å; R71-W73 VanDerWaalsContact C-N 3.33Å; R71-W73 PolarHBondContact O-N 2.67Å; R71-E74 PolarHBondContact O-N 3.5Å; R71-I75 WeakPolarHBondContact O-CD1 3.34Å; R71-I75 VanDerWaalsContact O-CG1 3.28Å; R71-I75 WeakPolarHBondContact O-CG1 3.46Å; R71-I75 PolarHBondContact O-N 3.12Å |
| 72 | R | 86.6 | Confident | 79.9 | Confident | 156 Ų | 156 | 106.5 Ų | 106.5 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -37.3 | 176.3 | -76.5 | -177.4 | -75 | -146.9 | 3.7 | 112.4 | R68 G69 Q70 R76 | R68-R72 WeakPolarHBondContact O-CG 3.35Å; R68-R72 PolarHBondContact O-N 3.32Å; R68-R72 VanDerWaalsContact O-N 3.16Å; R68-R72 PolarHBondContact O-NE 3.19Å; G69-R72 PolarHBondContact O-N 3.32Å; Q70-R72 VanDerWaalsContact C-N 3.32Å; Q70-R72 PolarHBondContact O-N 2.95Å; R72-R76 WeakPolarHBondContact O-CB 3.3Å; R72-R76 PolarHBondContact O-N 3.19Å |
| 73 | W | 80.9 | Confident | 77.9 | Confident | 109 Ų | 109 | 109 Ų | 109 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 175.7 | -178.9 | 86.8 | 0 | 0 | 0 | 111.8 | G69 Q70 R71 R76 R77 | G69-W73 PolarHBondContact O-N 2.99Å; Q70-W73 WeakPolarHBondContact O-CA 3.38Å; Q70-W73 WeakPolarHBondContact O-CB 3.47Å; Q70-W73 PolarHBondContact O-N 3.07Å; R71-W73 VanDerWaalsContact C-N 3.33Å; R71-W73 PolarHBondContact O-N 2.67Å; W73-R76 PolarHBondContact O-N 3.15Å; W73-R77 VanDerWaalsContact O-CB 3.31Å; W73-R77 WeakPolarHBondContact O-CB 3.41Å; W73-R77 PolarHBondContact O-N 3.36Å |
| 74 | E | 82.7 | Confident | 76.1 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 175.8 | -72.7 | 177.4 | 169.8 | 0 | 0 | 112 | Q70 R71 R76 R77 S78 | Q70-E74 WeakPolarHBondContact O-CG 3.4Å; Q70-E74 PolarHBondContact O-N 3.46Å; R71-E74 PolarHBondContact O-N 3.5Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 3.25Å; E74-R77 PolarHBondContact O-N 3.5Å; E74-S78 PolarHBondContact O-N 3.37Å; E74-S78 PolarHBondContact O-OG 3.49Å |
| 75 | I | 78.8 | Confident | 74.2 | Confident | 100 Ų | 100 | 111.8 Ų | 111.8 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -44.3 | 175.2 | -66.6 | 164.4 | 0 | 0 | 0 | 110.8 | R71 R77 S78 L79 | R71-I75 WeakPolarHBondContact O-CD1 3.34Å; R71-I75 VanDerWaalsContact O-CG1 3.28Å; R71-I75 WeakPolarHBondContact O-CG1 3.46Å; R71-I75 PolarHBondContact O-N 3.12Å; I75-R77 VanDerWaalsContact C-N 3.32Å; I75-R77 PolarHBondContact O-N 2.99Å; I75-S78 PolarHBondContact O-N 3.41Å; I75-S78 PolarHBondContact O-OG 2.97Å; I75-L79 HydrophobicContact CG2-CD1 3.97Å; I75-L79 WeakPolarHBondContact O-CB 3.19Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.06Å |
| 76 | R | 76.7 | Confident | 71.8 | Confident | 169 Ų | 169 | 113.9 Ų | 113.9 | 64% | 0.638 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66 | -36.7 | 178.3 | -174.5 | 178.9 | -67.2 | 169.6 | -1.1 | 112 | R72 W73 E74 R80 | R72-R76 WeakPolarHBondContact O-CB 3.3Å; R72-R76 PolarHBondContact O-N 3.19Å; W73-R76 PolarHBondContact O-N 3.15Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 3.25Å; R76-R80 PolarHBondContact O-N 2.89Å; R76-R80 VanDerWaalsContact O-N 3.12Å |
| 77 | R | 74.8 | Confident | 69.9 | Low | 161 Ų | 161 | 114.6 Ų | 114.6 | 61% | 0.608 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.4 | -41.8 | 178.1 | -172.2 | 178.8 | -179.4 | -171.6 | -0.6 | 111.2 | W73 E74 I75 R80 S81 | W73-R77 VanDerWaalsContact O-CB 3.31Å; W73-R77 WeakPolarHBondContact O-CB 3.41Å; W73-R77 PolarHBondContact O-N 3.36Å; E74-R77 PolarHBondContact O-N 3.5Å; I75-R77 VanDerWaalsContact C-N 3.32Å; I75-R77 PolarHBondContact O-N 2.99Å; R77-R80 PolarHBondContact O-N 2.7Å; R77-S81 PolarHBondContact O-N 2.85Å |
| 78 | S | 70.3 | Confident | 68.1 | Low | 63 Ų | 63 | 118.3 Ų | 118.3 | 44% | 0.441 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.2 | -40.6 | 175.8 | 65.7 | 0 | 0 | 0 | 0 | 111.6 | E74 I75 R80 S81 C82 | E74-S78 PolarHBondContact O-N 3.37Å; E74-S78 PolarHBondContact O-OG 3.49Å; I75-S78 PolarHBondContact O-N 3.41Å; I75-S78 PolarHBondContact O-OG 2.97Å; S78-R80 VanDerWaalsContact C-N 3.31Å; S78-R80 PolarHBondContact O-N 3.39Å; S78-S81 WeakPolarHBondContact O-CA 3.26Å; S78-S81 WeakPolarHBondContact O-CB 3.47Å; S78-S81 PolarHBondContact O-N 3.43Å; S78-C82 PolarHBondContact O-N 3.22Å; S78-C82 PolarHBondContact O-SG 2.93Å |
| 79 | L | 64.2 | Low | 66 | Low | 117 Ų | 117 | 117 Ų | 117 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.7 | -39.1 | 173.4 | -74.9 | 166.4 | 0 | 0 | 0 | 112.6 | I75 C82 | I75-L79 HydrophobicContact CG2-CD1 3.97Å; I75-L79 WeakPolarHBondContact O-CB 3.19Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.06Å; L79-C82 PolarHBondContact O-N 2.97Å |
| 80 | R | 58 | Low | 64.1 | Low | 193 Ų | 193 | 124.4 Ų | 124.4 | 73% | 0.728 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.6 | -30.3 | 173 | -78 | -172.5 | -179.4 | -133.6 | 0.3 | 113.2 | R76 R77 S78 C82 L83 | R76-R80 PolarHBondContact O-N 2.89Å; R76-R80 VanDerWaalsContact O-N 3.12Å; R77-R80 PolarHBondContact O-N 2.7Å; S78-R80 VanDerWaalsContact C-N 3.31Å; S78-R80 PolarHBondContact O-N 3.39Å; R80-C82 PolarHBondContact O-N 2.94Å; R80-L83 PolarHBondContact O-N 3.02Å |
| 81 | S | 54.6 | Low | 62.3 | Low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70 | -21.4 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | R77 S78 | R77-S81 PolarHBondContact O-N 2.85Å; S78-S81 WeakPolarHBondContact O-CA 3.26Å; S78-S81 WeakPolarHBondContact O-CB 3.47Å; S78-S81 PolarHBondContact O-N 3.43Å |
| 82 | C | 48.6 | Very low | 60.1 | Low | 100 Ų | 100 | 123.5 Ų | 123.5 | 68% | 0.676 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 2.9 | 178.8 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | S78 L79 R80 P84 | S78-C82 PolarHBondContact O-N 3.22Å; S78-C82 PolarHBondContact O-SG 2.93Å; L79-C82 PolarHBondContact O-N 2.97Å; R80-C82 PolarHBondContact O-N 2.94Å; C82-P84 WeakPolarHBondContact O-CD 3.37Å |
| 83 | L | 48.5 | Very low | 58.1 | Low | 122 Ų | 122 | 121.2 Ų | 121.2 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -68.3 | 113.8 | 167.1 | -71.6 | 173.8 | 0 | 0 | 0 | 107.4 | R80 V85 | R80-L83 PolarHBondContact O-N 3.02Å; L83-V85 PolarHBondContact O-N 2.98Å; L83-V85 VanDerWaalsContact O-N 3.11Å |
| 84 | P | 51.6 | Low | 56.4 | Low | 114 Ų | 114 | 121.5 Ų | 121.5 | 74% | 0.74 | 68% | 0.676 | S | S | * | * | trans | -57.7 | 124 | 174.1 | 24.8 | -31.5 | 0 | 0 | 0 | 106.9 | C82 C86 | C82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-C86 VanDerWaalsContact C-N 3.32Å; P84-C86 PolarHBondContact O-N 3.43Å | ||
| 85 | V | 52 | Low | 54.2 | Low | 134 Ų | 134 | 120.7 Ų | 120.7 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | trans | -55.9 | 100.2 | 172.7 | 176.1 | 0 | 0 | 0 | 0 | 106.8 | L83 P87 | L83-V85 PolarHBondContact O-N 2.98Å; L83-V85 VanDerWaalsContact O-N 3.11Å; V85-P87 WeakPolarHBondContact O-CD 3.35Å | ||
| 86 | C | 42.5 | Very low | 52.6 | Low | 82 Ų | 82 | 123.3 Ų | 123.3 | 55% | 0.554 | 70% | 0.703 | S | S | * | * | trans | -60.5 | 122.1 | 167.6 | -98.3 | 0 | 0 | 0 | 0 | 106.9 | P84 S88 S89 | P84-C86 VanDerWaalsContact C-N 3.32Å; P84-C86 PolarHBondContact O-N 3.43Å; C86-S88 PolarHBondContact O-N 3.35Å; C86-S89 PolarHBondContact O-N 2.95Å; C86-S89 PolarHBondContact O-OG 3.32Å | ||
| 87 | P | 52 | Low | 51.1 | Low | 114 Ų | 114 | 120.9 Ų | 120.9 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -8.3 | 179.7 | -16.1 | 26.8 | 0 | 0 | 0 | 113.8 | V85 | V85-P87 WeakPolarHBondContact O-CD 3.35Š|
| 88 | S | 52.9 | Low | 49.5 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -4.1 | -172.9 | -49.2 | 0 | 0 | 0 | 0 | 114.9 | C86 | C86-S88 PolarHBondContact O-N 3.35Š|
| 89 | S | 48.7 | Very low | 47.9 | Very low | 81 Ų | 81 | 119.8 Ų | 119.8 | 57% | 0.566 | 73% | 0.728 | S | S | * | * | trans | -106.6 | 63.1 | 177 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | C86 I91 | C86-S89 PolarHBondContact O-N 2.95Å; C86-S89 PolarHBondContact O-OG 3.32Å; S89-I91 PolarHBondContact O-N 2.91Å | ||
| 90 | Q | 48.2 | Very low | 46.7 | Very low | 187 Ų | 187 | 125.6 Ų | 125.6 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -78.5 | 53.1 | 165.1 | -71.1 | -173.9 | 50.4 | 0 | 0 | 111 | ||||
| 91 | I | 48.4 | Very low | 45.6 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -94.1 | 120.7 | 164.8 | -58.5 | 177.4 | 0 | 0 | 0 | 105.9 | S89 S93 | S89-I91 PolarHBondContact O-N 2.91Å; I91-S93 PolarHBondContact O-N 3.28Å | ||
| 92 | P | 41.1 | Very low | 44.9 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | -58.3 | 108.3 | 174.3 | -16.1 | 28 | 0 | 0 | 0 | 107.9 | ||||
| 93 | S | 43.8 | Very low | 44.6 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -63.6 | 132.3 | 169.6 | -70.4 | 0 | 0 | 0 | 0 | 107.3 | I91 A95 | I91-S93 PolarHBondContact O-N 3.28Å; S93-A95 PolarHBondContact O-N 2.84Å; S93-A95 VanDerWaalsContact O-N 3.16Å | ||
| 94 | P | 45.1 | Very low | 43.8 | Very low | 115 Ų | 115 | 121 Ų | 121 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | trans | -57.5 | 127.5 | 174.8 | 24.6 | -31.3 | 0 | 0 | 0 | 107.3 | L96 | P94-L96 PolarHBondContact O-N 3.44Š| ||
| 95 | A | 37.2 | Very low | 43 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -49.4 | 107.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | S93 P97 | S93-A95 PolarHBondContact O-N 2.84Å; S93-A95 VanDerWaalsContact O-N 3.16Å; A95-P97 WeakPolarHBondContact O-CD 3.4Å | ||
| 96 | L | 45.4 | Very low | 42.7 | Very low | 156 Ų | 156 | 122.7 Ų | 122.7 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | trans | -64.9 | 121.9 | 171.3 | -85.7 | 152.6 | 0 | 0 | 0 | 106.3 | P94 T98 | P94-L96 PolarHBondContact O-N 3.44Å; L96-T98 PolarHBondContact O-N 2.87Å | ||
| 97 | P | 44.6 | Very low | 42.2 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | trans | -58.2 | 131 | 172.3 | 25 | -31.1 | 0 | 0 | 0 | 107.3 | A95 G99 | A95-P97 WeakPolarHBondContact O-CD 3.4Å; P97-G99 PolarHBondContact O-N 3.07Å | ||
| 98 | T | 40.9 | Very low | 41.7 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 91% | 0.908 | 72% | 0.719 | S | S | * | * | trans | -67.5 | 60.9 | -177.7 | -27.6 | 0 | 0 | 0 | 0 | 110.7 | L96 R100 | L96-T98 PolarHBondContact O-N 2.87Å; T98-R100 PolarHBondContact O-N 3.16Å | ||
| 99 | G | 38.1 | Very low | 40.8 | Very low | 53 Ų | 53 | 129.3 Ų | 129.3 | 55% | 0.546 | 73% | 0.725 | S | S | . | * | trans | -81.1 | 105.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | P97 W101 | P97-G99 PolarHBondContact O-N 3.07Å; G99-W101 PolarHBondContact O-N 3.19Å | ||
| 100 | R | 38.9 | Very low | 40.4 | Very low | 239 Ų | 239 | 128.9 Ų | 128.9 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | trans | -55.2 | 121.6 | 169.2 | -68.9 | -179.7 | -173.6 | -134.4 | 1.6 | 108.3 | T98 A102 | T98-R100 PolarHBondContact O-N 3.16Å; R100-A102 VanDerWaalsContact C-N 3.29Å; R100-A102 PolarHBondContact O-N 3.22Å | ||
| 101 | W | 33.5 | Very low | 39.9 | Very low | 221 Ų | 221 | 127.9 Ų | 127.9 | 84% | 0.837 | 73% | 0.725 | S | S | * | * | trans | -69.9 | 91.1 | 166.8 | -63.1 | 82.7 | 0 | 0 | 0 | 107.7 | G99 | G99-W101 PolarHBondContact O-N 3.19Š| ||
| 102 | A | 40.7 | Very low | 39.2 | Very low | 78 Ų | 78 | 128 Ų | 128 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -107.8 | 154.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | R100 G104 | R100-A102 VanDerWaalsContact C-N 3.29Å; R100-A102 PolarHBondContact O-N 3.22Å; A102-G104 PolarHBondContact O-N 3.2Å |
| 103 | A | 42 | Very low | 39.2 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | trans | -60.7 | 84.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | W105 | A103-W105 PolarHBondContact O-N 3.09Å; A103-W105 VanDerWaalsContact O-N 3.15Å | ||
| 104 | G | 31.3 | Very low | 39 | Very low | 51 Ų | 51 | 123.6 Ų | 123.6 | 53% | 0.526 | 71% | 0.711 | S | S | . | * | trans | -87.1 | 89.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A102 T106 | A102-G104 PolarHBondContact O-N 3.2Å; G104-T106 VanDerWaalsContact C-N 3.34Å; G104-T106 PolarHBondContact O-N 2.75Å | ||
| 105 | W | 36.5 | Very low | 38.7 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | trans | -53.7 | 102.7 | 157.3 | -60.7 | 93.8 | 0 | 0 | 0 | 107.5 | A103 W116 | A103-W105 PolarHBondContact O-N 3.09Å; A103-W105 VanDerWaalsContact O-N 3.15Å; W105-W116 HydrophobicContact CB-CE3 4.23Å; W105-W116 HydrophobicContact CB-CZ3 3.86Å; W105-W116 HydrophobicContact CD2-CE3 4.27Å; W105-W116 HydrophobicContact CE3-CB 4.09Å; W105-W116 AromaticContact CE3-CD2 3.94Å; W105-W116 HydrophobicContact CE3-CD2 3.94Å; W105-W116 AromaticContact CE3-CE3 3.46Å; W105-W116 HydrophobicContact CE3-CE3 3.46Å; W105-W116 VanDerWaalsContact CE3-CE3 3.46Å; W105-W116 HydrophobicContact CE3-CG 4.25Å; W105-W116 HydrophobicContact CE3-CZ3 4.14Å; W105-W116 HydrophobicContact CG-CZ3 4.49Å; W105-W116 HydrophobicContact CZ3-CB 3.7Å; W105-W116 HydrophobicContact CZ3-CD2 4.19Å; W105-W116 HydrophobicContact CZ3-CE3 4.17Å; W105-W116 HydrophobicContact CZ3-CG 4.07Å | ||
| 106 | T | 44.3 | Very low | 38.9 | Very low | 128 Ų | 128 | 122 Ų | 122 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | trans | -95.3 | 104.1 | 179 | 29.5 | 0 | 0 | 0 | 0 | 108 | G104 P108 | G104-T106 VanDerWaalsContact C-N 3.34Å; G104-T106 PolarHBondContact O-N 2.75Å; T106-P108 WeakPolarHBondContact O-CD 3.39Å | ||
| 107 | H | 33.4 | Very low | 38.8 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 49% | 0.486 | 67% | 0.672 | S | S | . | * | trans | -75.8 | 120.1 | 172.1 | 177.2 | -97 | 0 | 0 | 0 | 109.5 | W109 | H107-W109 PolarHBondContact O-N 3.09Å; H107-W109 VanDerWaalsContact O-N 3.16Å | ||
| 108 | P | 40.2 | Very low | 38.5 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 66% | 0.662 | 66% | 0.657 | S | S | * | * | trans | -71.2 | 107.1 | 164.6 | 27.4 | -29 | 0 | 0 | 0 | 108.4 | T106 G110 | T106-P108 WeakPolarHBondContact O-CD 3.39Å; P108-G110 PolarHBondContact O-N 2.95Å; P108-G110 VanDerWaalsContact O-N 3.13Å | ||
| 109 | W | 35.2 | Very low | 38.4 | Very low | 245 Ų | 245 | 113.4 Ų | 113.4 | 93% | 0.928 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 118.6 | 170 | -74.7 | 81.1 | 0 | 0 | 0 | 109.3 | H107 | H107-W109 PolarHBondContact O-N 3.09Å; H107-W109 VanDerWaalsContact O-N 3.16Å |
| 110 | G | 39.5 | Very low | 38.5 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 74% | 0.742 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.2 | 8.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | P108 | P108-G110 PolarHBondContact O-N 2.95Å; P108-G110 VanDerWaalsContact O-N 3.13Å |
| 111 | K | 38.3 | Very low | 38.5 | Very low | 165 Ų | 165 | 115.4 Ų | 115.4 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | trans | -138.7 | 126.1 | 173.3 | -68.8 | -175.8 | -179 | 179.1 | 0 | 112.9 | S113 | K111-S113 VanDerWaalsContact C-N 3.35Å; K111-S113 PolarHBondContact O-N 3.16Å; K111-S113 VanDerWaalsContact O-N 3.1Å | ||
| 112 | P | 34.1 | Very low | 39.1 | Very low | 142 Ų | 142 | 110.8 Ų | 110.8 | 92% | 0.922 | 62% | 0.621 | S | S | * | * | trans | -81.1 | 81.6 | 170.4 | 33 | -30.1 | 0 | 0 | 0 | 109.2 | ||||
| 113 | S | 41.2 | Very low | 39.1 | Very low | 83 Ų | 83 | 112 Ų | 112 | 58% | 0.58 | 63% | 0.631 | S | S | * | * | trans | -153.2 | 114.6 | 168.2 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | K111 T115 | K111-S113 VanDerWaalsContact C-N 3.35Å; K111-S113 PolarHBondContact O-N 3.16Å; K111-S113 VanDerWaalsContact O-N 3.1Å; S113-T115 PolarHBondContact O-N 3.38Å | ||
| 114 | A | 39.3 | Very low | 39 | Very low | 51 Ų | 51 | 116.3 Ų | 116.3 | 42% | 0.421 | 64% | 0.643 | S | S | . | * | trans | -74.1 | 55 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 115 | T | 38.4 | Very low | 39.1 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | trans | -110.6 | 104.5 | 175.9 | -44.2 | 0 | 0 | 0 | 0 | 109.3 | S113 T117 | S113-T115 PolarHBondContact O-N 3.38Å; T115-T117 HydrophobicContact CG2-CG2 4.31Å | ||
| 116 | W | 41.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 121.8 Ų | 121.8 | 33% | 0.333 | 67% | 0.671 | S | S | . | * | trans | -90.6 | 121.6 | 169.4 | -54.3 | 79.9 | 0 | 0 | 0 | 108.2 | W105 A183 | W105-W116 HydrophobicContact CB-CE3 4.23Å; W105-W116 HydrophobicContact CB-CZ3 3.86Å; W105-W116 HydrophobicContact CD2-CE3 4.27Å; W105-W116 HydrophobicContact CE3-CB 4.09Å; W105-W116 AromaticContact CE3-CD2 3.94Å; W105-W116 HydrophobicContact CE3-CD2 3.94Å; W105-W116 AromaticContact CE3-CE3 3.46Å; W105-W116 HydrophobicContact CE3-CE3 3.46Å; W105-W116 VanDerWaalsContact CE3-CE3 3.46Å; W105-W116 HydrophobicContact CE3-CG 4.25Å; W105-W116 HydrophobicContact CE3-CZ3 4.14Å; W105-W116 HydrophobicContact CG-CZ3 4.49Å; W105-W116 HydrophobicContact CZ3-CB 3.7Å; W105-W116 HydrophobicContact CZ3-CD2 4.19Å; W105-W116 HydrophobicContact CZ3-CE3 4.17Å; W105-W116 HydrophobicContact CZ3-CG 4.07Å; W116-A183 HydrophobicContact CG-CB 4.44Å; W116-A183 PolarHBondContact NE1-O 2.95Å | ||
| 117 | T | 42.6 | Very low | 38.8 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 68% | 0.681 | 68% | 0.676 | S | S | * | * | trans | -108.3 | 112 | 172.7 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | T115 | T115-T117 HydrophobicContact CG2-CG2 4.31Š| ||
| 118 | S | 38.4 | Very low | 39 | Very low | 63 Ų | 63 | 120 Ų | 120 | 44% | 0.441 | 69% | 0.689 | S | S | . | * | trans | -84 | 109.4 | 166.7 | 176.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 119 | S | 38.8 | Very low | 38.9 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 47% | 0.469 | 70% | 0.701 | S | S | . | * | trans | -95.1 | 102.1 | 167.3 | 48.3 | 0 | 0 | 0 | 0 | 108.3 | W121 | S119-W121 PolarHBondContact O-N 3.27Å; S119-W121 PolarHBondContact O-NE1 2.86Å; S119-W121 VanDerWaalsContact OG-CE2 3.27Å; S119-W121 WeakPolarHBondContact OG-CZ2 3.37Å; S119-W121 PolarHBondContact OG-NE1 2.83Å | ||
| 120 | L | 39.8 | Very low | 39.1 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 59% | 0.586 | 70% | 0.698 | S | S | * | * | trans | -80.5 | 88.7 | 169.1 | -165.6 | 89.8 | 0 | 0 | 0 | 108.7 | K122 | L120-K122 PolarHBondContact O-N 3.48Š| ||
| 121 | W | 39.4 | Very low | 38.8 | Very low | 222 Ų | 222 | 128.3 Ų | 128.3 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | trans | -73.6 | 105.5 | 174.6 | -30 | 67.9 | 0 | 0 | 0 | 108.9 | S119 | S119-W121 PolarHBondContact O-N 3.27Å; S119-W121 PolarHBondContact O-NE1 2.86Å; S119-W121 VanDerWaalsContact OG-CE2 3.27Å; S119-W121 WeakPolarHBondContact OG-CZ2 3.37Å; S119-W121 PolarHBondContact OG-NE1 2.83Å | ||
| 122 | K | 47.5 | Very low | 38.9 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 54% | 0.539 | 70% | 0.701 | S | S | . | * | trans | -86.8 | 124.7 | 152.3 | -89.9 | 178.2 | 176.9 | -178.8 | 0 | 107 | L120 L124 | L120-K122 PolarHBondContact O-N 3.48Å; K122-L124 PolarHBondContact O-N 3.05Å | ||
| 123 | A | 38.9 | Very low | 38.8 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 85% | 0.851 | 69% | 0.689 | S | S | * | * | trans | -56.1 | 108.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G125 | A123-G125 PolarHBondContact O-N 3.02Š| ||
| 124 | L | 40.4 | Very low | 38.7 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | trans | -58.6 | 131.5 | 168.3 | -80.8 | 162.3 | 0 | 0 | 0 | 108.7 | K122 | K122-L124 PolarHBondContact O-N 3.05Š| ||
| 125 | G | 34.3 | Very low | 38.7 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -54.7 | 138.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A123 | A123-G125 PolarHBondContact O-N 3.02Š| ||
| 126 | R | 40.3 | Very low | 38.8 | Very low | 245 Ų | 245 | 130.3 Ų | 130.3 | 93% | 0.925 | 72% | 0.723 | S | S | * | * | trans | -112.9 | 123.1 | 139.4 | -78.4 | -173.1 | -173 | -109.3 | 0.6 | 106.7 | S128 | R126-S128 PolarHBondContact O-N 3.33Š| ||
| 127 | G | 34 | Very low | 38.7 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | trans | -52 | 132.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 128 | S | 37.2 | Very low | 38.7 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -113.2 | 106.3 | 155 | 55.5 | 0 | 0 | 0 | 0 | 106.4 | R126 M130 | R126-S128 PolarHBondContact O-N 3.33Å; S128-M130 PolarHBondContact O-N 2.9Å; S128-M130 VanDerWaalsContact O-N 3.09Å | ||
| 129 | R | 38.1 | Very low | 38.6 | Very low | 241 Ų | 241 | 133.7 Ų | 133.7 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -42.2 | 120.2 | 160 | -92.3 | 177.1 | 175 | -179 | -2 | 107.1 | M131 | R129-M131 VanDerWaalsContact C-N 3.33Å; R129-M131 PolarHBondContact O-N 3.03Å | ||
| 130 | M | 39.5 | Very low | 38.8 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -61.1 | 103.6 | 162.3 | -171 | 178.2 | -86.7 | 0 | 0 | 105.5 | S128 S132 | S128-M130 PolarHBondContact O-N 2.9Å; S128-M130 VanDerWaalsContact O-N 3.09Å; M130-S132 PolarHBondContact O-N 3.38Å | ||
| 131 | M | 33.5 | Very low | 38.5 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 104.7 | 164.1 | -76.4 | -167.1 | 179.6 | 0 | 0 | 105.8 | R129 C133 | R129-M131 VanDerWaalsContact C-N 3.33Å; R129-M131 PolarHBondContact O-N 3.03Å; M131-C133 PolarHBondContact O-N 3.06Å; M131-C133 VanDerWaalsContact O-N 3.14Å | ||
| 132 | S | 39.3 | Very low | 38.6 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -50.7 | 115.8 | 150.4 | 51.8 | 0 | 0 | 0 | 0 | 107 | M130 S134 | M130-S132 PolarHBondContact O-N 3.38Å; S132-S134 PolarHBondContact O-N 2.81Å | ||
| 133 | C | 33 | Very low | 38 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -71.2 | 85.4 | 164.3 | -172 | 0 | 0 | 0 | 0 | 107.3 | M131 C136 | M131-C133 PolarHBondContact O-N 3.06Å; M131-C133 VanDerWaalsContact O-N 3.14Å; C133-C136 VanDerWaalsContact SG-SG 3.66Å | ||
| 134 | S | 39.9 | Very low | 38.2 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -86.3 | 12.6 | 169.4 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | S132 | S132-S134 PolarHBondContact O-N 2.81Š| ||
| 135 | Q | 38.7 | Very low | 38 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | -133 | 63.7 | 178.2 | -87.9 | -177.3 | -7.9 | 0 | 0 | 111.3 | S137 | Q135-S137 VanDerWaalsContact C-N 3.28Š| ||
| 136 | C | 40.9 | Very low | 38.1 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -101.3 | 40.6 | 146.4 | -72.7 | 0 | 0 | 0 | 0 | 109.7 | C133 L138 | C133-C136 VanDerWaalsContact SG-SG 3.66Å; C136-L138 VanDerWaalsContact C-N 3.28Å; C136-L138 PolarHBondContact O-N 3Å | ||
| 137 | S | 38.9 | Very low | 37.8 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -90.5 | 68.7 | 160 | 52.3 | 0 | 0 | 0 | 0 | 108.1 | Q135 G139 | Q135-S137 VanDerWaalsContact C-N 3.28Å; S137-G139 PolarHBondContact O-N 3.45Å | ||
| 138 | L | 42.2 | Very low | 38 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -72.4 | 79.2 | 157.7 | -91.3 | 162.7 | 0 | 0 | 0 | 106.8 | C136 A140 | C136-L138 VanDerWaalsContact C-N 3.28Å; C136-L138 PolarHBondContact O-N 3Å; L138-A140 PolarHBondContact O-N 3.22Å | ||
| 139 | G | 35.2 | Very low | 37.9 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 83.5 | 151 | 0 | 0 | 0 | 0 | 0 | 107.5 | S137 G141 | S137-G139 PolarHBondContact O-N 3.45Å; G139-G141 PolarHBondContact O-N 3.45Å | ||
| 140 | A | 43.9 | Very low | 38.3 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | trans | -72.9 | 70.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | L138 H142 | L138-A140 PolarHBondContact O-N 3.22Å; A140-H142 PolarHBondContact O-N 3.12Å | ||
| 141 | G | 34.4 | Very low | 38.3 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -69.9 | 81 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G139 | G139-G141 PolarHBondContact O-N 3.45Š| ||
| 142 | H | 41.2 | Very low | 38.8 | Very low | 181 Ų | 181 | 124 Ų | 124 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -111.8 | 86.1 | 157.6 | -85.9 | -107.9 | 0 | 0 | 0 | 107.9 | A140 R144 | A140-H142 PolarHBondContact O-N 3.12Å; H142-R144 PolarHBondContact O-N 3.45Å; H142-R144 VanDerWaalsContact O-N 3.09Å | ||
| 143 | S | 35.3 | Very low | 38.6 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -57.9 | 104.2 | 159.6 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 144 | R | 43.1 | Very low | 39.1 | Very low | 222 Ų | 222 | 135 Ų | 135 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -121.8 | 98.3 | 147.3 | -94 | -169.8 | -178.6 | -142.5 | 0.8 | 107.4 | H142 F146 | H142-R144 PolarHBondContact O-N 3.45Å; H142-R144 VanDerWaalsContact O-N 3.09Å; R144-F146 PolarHBondContact O-N 2.95Å | ||
| 145 | Q | 34.8 | Very low | 38.9 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -61.1 | 117.9 | 163.5 | -61.5 | 176.8 | 5 | 0 | 0 | 107.7 | ||||
| 146 | F | 36.3 | Very low | 38.9 | Very low | 190 Ų | 190 | 130.8 Ų | 130.8 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -127.2 | 107.6 | 155.7 | -108.4 | -89.3 | 0 | 0 | 0 | 106.9 | R144 | R144-F146 PolarHBondContact O-N 2.95Š| ||
| 147 | L | 35 | Very low | 38.8 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -73.8 | 117.3 | 170.7 | -78.8 | 152.1 | 0 | 0 | 0 | 108.1 | ||||
| 148 | G | 36.8 | Very low | 39 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | -133.6 | 122.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 149 | P | 35.9 | Very low | 39 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -74.7 | 164.8 | -178.4 | 33.8 | -32.4 | 0 | 0 | 0 | 109.1 | ||||
| 150 | T | 46.8 | Very low | 39.1 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | 74.5 | 115.9 | 178.1 | 49 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 151 | G | 39.8 | Very low | 39.1 | Very low | 66 Ų | 66 | 144.9 Ų | 144.9 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | 119.7 | 91 | 134 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 152 | S | 42.5 | Very low | 39.4 | Very low | 121 Ų | 121 | 145 Ų | 145 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 68.6 | 101.9 | 139.7 | 7.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 153 | R | 36.3 | Very low | 39.5 | Very low | 244 Ų | 244 | 144.6 Ų | 144.6 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -52.2 | 131.8 | 150.8 | -87.2 | 177 | 168.5 | -165.4 | -3.1 | 111.6 | ||||
| 154 | L | 43.2 | Very low | 39.9 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -170.7 | 109.4 | 147.9 | -94.5 | 143.2 | 0 | 0 | 0 | 103.1 | ||||
| 155 | G | 35.1 | Very low | 40 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | cis | 117 | 107.4 | 48.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 156 | S | 39.4 | Very low | 40.7 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | 154.4 | 80.6 | 153.5 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | R158 | S156-R158 PolarHBondContact O-N 3.37Š| ||
| 157 | T | 39.2 | Very low | 41.1 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -77.5 | 96.1 | 154.3 | -0.9 | 0 | 0 | 0 | 0 | 106.3 | E159 | T157-E159 PolarHBondContact O-N 3.47Š| ||
| 158 | R | 42.4 | Very low | 41.4 | Very low | 226 Ų | 226 | 139.3 Ų | 139.3 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -79 | 95.9 | 166.2 | -104.5 | -174 | 172.8 | -176 | -1.8 | 107.9 | S156 C160 | S156-R158 PolarHBondContact O-N 3.37Å; R158-C160 PolarHBondContact O-N 3.47Å | ||
| 159 | E | 41.5 | Very low | 41.6 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -59.9 | 108.2 | 162.9 | -73.1 | 178.2 | 120.9 | 0 | 0 | 108.9 | T157 Q161 | T157-E159 PolarHBondContact O-N 3.47Å; E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 3.02Å; E159-Q161 VanDerWaalsContact O-N 3.12Å | ||
| 160 | C | 38.6 | Very low | 42.2 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 86% | 0.858 | 81% | 0.807 | S | S | * | * | trans | -75.8 | 89.9 | 160.2 | -72.1 | 0 | 0 | 0 | 0 | 107.6 | R158 G162 | R158-C160 PolarHBondContact O-N 3.47Å; C160-G162 VanDerWaalsContact C-N 3.27Å; C160-G162 PolarHBondContact O-N 2.97Å | ||
| 161 | Q | 43.7 | Very low | 42.3 | Very low | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -64.6 | 93.1 | 160.2 | -87.1 | -179.6 | -6.7 | 0 | 0 | 108.2 | E159 Q163 | E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 3.02Å; E159-Q161 VanDerWaalsContact O-N 3.12Å; Q161-Q163 VanDerWaalsContact C-N 3.35Å; Q161-Q163 PolarHBondContact O-N 3.32Å | ||
| 162 | G | 41 | Very low | 42.7 | Very low | 71 Ų | 71 | 151 Ų | 151 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -68.8 | 94.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | C160 L164 | C160-G162 VanDerWaalsContact C-N 3.27Å; C160-G162 PolarHBondContact O-N 2.97Å; G162-L164 PolarHBondContact O-N 3.35Å | ||
| 163 | Q | 42.7 | Very low | 43.3 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -64.8 | 88.1 | 157.5 | -88 | -176.6 | -34.2 | 0 | 0 | 107.7 | Q161 N165 | Q161-Q163 VanDerWaalsContact C-N 3.35Å; Q161-Q163 PolarHBondContact O-N 3.32Å; Q163-N165 VanDerWaalsContact C-N 3.28Å; Q163-N165 PolarHBondContact O-N 2.87Å | ||
| 164 | L | 43.4 | Very low | 44 | Very low | 166 Ų | 166 | 142 Ų | 142 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 95.9 | 156.8 | -99.6 | 158.8 | 0 | 0 | 0 | 106.3 | G162 Q166 | G162-L164 PolarHBondContact O-N 3.35Å; L164-Q166 VanDerWaalsContact C-N 3.3Å; L164-Q166 PolarHBondContact O-N 3.04Å | ||
| 165 | N | 46.7 | Very low | 44.5 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | trans | -58.9 | 100.8 | 165.1 | -83.4 | -15.9 | 0 | 0 | 0 | 107.6 | Q163 E167 | Q163-N165 VanDerWaalsContact C-N 3.28Å; Q163-N165 PolarHBondContact O-N 2.87Å; N165-E167 HydrophobicContact CB-CG 4.45Å; N165-E167 PolarHBondContact O-N 2.93Å | ||
| 166 | Q | 48.2 | Very low | 45.7 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -75.5 | 55.9 | 172.1 | -162.4 | 177.6 | 50.2 | 0 | 0 | 108.4 | L164 S168 | L164-Q166 VanDerWaalsContact C-N 3.3Å; L164-Q166 PolarHBondContact O-N 3.04Å; Q166-S168 PolarHBondContact O-N 3.27Å | ||
| 167 | E | 46 | Very low | 46.9 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -87.9 | 94.1 | 173.3 | -72 | -172.9 | 114.5 | 0 | 0 | 108.2 | N165 L169 | N165-E167 HydrophobicContact CB-CG 4.45Å; N165-E167 PolarHBondContact O-N 2.93Å; E167-L169 PolarHBondContact O-N 3.14Å | ||
| 168 | S | 39.8 | Very low | 48.4 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | trans | 20 | 94.6 | 156.8 | 66.6 | 0 | 0 | 0 | 0 | 116.2 | Q166 Q170 | Q166-S168 PolarHBondContact O-N 3.27Å; S168-Q170 PolarHBondContact O-N 2.9Å | ||
| 169 | L | 42.6 | Very low | 50 | Low | 172 Ų | 172 | 128.5 Ų | 128.5 | 90% | 0.901 | 69% | 0.69 | S | S | * | * | trans | -63.3 | 80.9 | 149.2 | -92.1 | 157.4 | 0 | 0 | 0 | 107.7 | E167 E171 | E167-L169 PolarHBondContact O-N 3.14Å; L169-E171 PolarHBondContact O-N 3.36Å; L169-E171 VanDerWaalsContact O-N 3.09Å | ||
| 170 | Q | 46.7 | Very low | 51.7 | Low | 161 Ų | 161 | 123.2 Ų | 123.2 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | trans | -65.2 | 108.3 | 156.1 | -80.1 | -157.5 | 9.9 | 0 | 0 | 106.2 | S168 T172 | S168-Q170 PolarHBondContact O-N 2.9Å; Q170-T172 PolarHBondContact O-N 2.81Å; Q170-T172 PolarHBondContact O-OG1 3.06Å | ||
| 171 | E | 48.8 | Very low | 53.8 | Low | 183 Ų | 183 | 118.8 Ų | 118.8 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | trans | -54.8 | 86.5 | 171 | -165.2 | 173.3 | -176.5 | 0 | 0 | 108.4 | L169 T173 | L169-E171 PolarHBondContact O-N 3.36Å; L169-E171 VanDerWaalsContact O-N 3.09Å; E171-T173 PolarHBondContact O-N 3.3Å | ||
| 172 | T | 49.2 | Very low | 55.6 | Low | 129 Ų | 129 | 112.8 Ų | 112.8 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | trans | -74.9 | 99.6 | 176.7 | -3.2 | 0 | 0 | 0 | 0 | 105.5 | Q170 A174 | Q170-T172 PolarHBondContact O-N 2.81Å; Q170-T172 PolarHBondContact O-OG1 3.06Å; T172-A174 PolarHBondContact O-N 3.11Å | ||
| 173 | T | 54.7 | Low | 57.6 | Low | 89 Ų | 89 | 109.8 Ų | 109.8 | 55% | 0.546 | 58% | 0.577 | S | S | . | * | trans | -52.1 | 105 | 171 | -46.6 | 0 | 0 | 0 | 0 | 107.7 | E171 Y175 | E171-T173 PolarHBondContact O-N 3.3Å; T173-Y175 VanDerWaalsContact C-N 3.32Å; T173-Y175 HydrophobicContact CG2-CD1 4.43Å; T173-Y175 HydrophobicContact CG2-CD2 4.43Å; T173-Y175 HydrophobicContact CG2-CE1 3.9Å; T173-Y175 HydrophobicContact CG2-CE2 3.9Å; T173-Y175 WeakPolarHBondContact O-CD2 3.31Å; T173-Y175 PolarHBondContact O-N 3.47Å | ||
| 174 | A | 52.4 | Low | 59.5 | Low | 87 Ų | 87 | 104.6 Ų | 104.6 | 72% | 0.719 | 56% | 0.557 | S | S | * | * | trans | -77.3 | 86.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T172 S176 | T172-A174 PolarHBondContact O-N 3.11Å; A174-S176 PolarHBondContact O-N 3.39Å | ||
| 175 | Y | 51.9 | Low | 61.5 | Low | 179 Ų | 179 | 98.5 Ų | 98.5 | 70% | 0.702 | 53% | 0.531 | S | S | * | . | trans | -62.6 | 129.2 | 172.4 | -60.8 | -80.5 | 0 | 0 | 0 | 109.8 | T173 | T173-Y175 VanDerWaalsContact C-N 3.32Å; T173-Y175 HydrophobicContact CG2-CD1 4.43Å; T173-Y175 HydrophobicContact CG2-CD2 4.43Å; T173-Y175 HydrophobicContact CG2-CE1 3.9Å; T173-Y175 HydrophobicContact CG2-CE2 3.9Å; T173-Y175 WeakPolarHBondContact O-CD2 3.31Å; T173-Y175 PolarHBondContact O-N 3.47Å | ||
| 176 | S | 60.3 | Low | 63.3 | Low | 28 Ų | 28 | 95 Ų | 95 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 110.8 | 165.8 | 49.4 | 0 | 0 | 0 | 0 | 109.3 | A174 C204 | A174-S176 PolarHBondContact O-N 3.39Å; S176-C204 PolarHBondContact OG-O 3.29Å |
| 177 | V | 65.8 | Low | 65 | Low | 95 Ų | 95 | 92.3 Ų | 92.3 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.2 | 164.4 | -175.9 | 0 | 0 | 0 | 0 | 107.2 | ||
| 178 | C | 71.3 | Confident | 66.9 | Low | 31 Ų | 31 | 89.4 Ų | 89.4 | 21% | 0.209 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.2 | 172.4 | -70 | 0 | 0 | 0 | 0 | 107.6 | ||
| 179 | F | 75.2 | Confident | 68.5 | Low | 103 Ų | 103 | 91.7 Ų | 91.7 | 45% | 0.452 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.6 | 171.1 | 54.3 | -96.5 | 0 | 0 | 0 | 108.8 | L181 | F179-L181 HydrophobicContact CD2-CD1 4.08Å; F179-L181 HydrophobicContact CD2-CG 3.87Å; F179-L181 HydrophobicContact CE2-CD1 3.63Å; F179-L181 HydrophobicContact CE2-CG 3.96Å |
| 180 | T | 76.6 | Confident | 70.2 | Confident | 56 Ų | 56 | 88 Ų | 88 | 34% | 0.344 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124 | 171.3 | -57.8 | 0 | 0 | 0 | 0 | 108.2 | T198 L199 | T180-T198 CarbonylContact O-C 3.57Å; T180-T198 WeakPolarHBondContact O-CA 3.43Å; T180-L199 WeakPolarHBondContact CB-O 3.46Å; T180-L199 HydrophobicContact CG2-CB 4.23Å; T180-L199 HydrophobicContact CG2-CD1 4.37Å; T180-L199 PolarHBondContact O-N 2.88Å |
| 181 | L | 82.9 | Confident | 71.9 | Confident | 34 Ų | 34 | 86.7 Ų | 86.7 | 18% | 0.178 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.5 | 170.6 | -77.2 | 168.3 | 0 | 0 | 0 | 108.6 | F179 Q197 T198 | F179-L181 HydrophobicContact CD2-CD1 4.08Å; F179-L181 HydrophobicContact CD2-CG 3.87Å; F179-L181 HydrophobicContact CE2-CD1 3.63Å; F179-L181 HydrophobicContact CE2-CG 3.96Å; L181-Q197 WeakPolarHBondContact CA-O 3.19Å; L181-T198 HydrophobicContact CD2-CG2 3.48Å; L181-T198 VanDerWaalsContact CD2-CG2 3.48Å |
| 182 | E | 80.7 | Confident | 73.4 | Confident | 45 Ų | 45 | 81.2 Ų | 81.2 | 21% | 0.21 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.6 | 167.2 | -173.7 | 172.4 | -165.2 | 0 | 0 | 108.8 | L196 Q197 L199 | E182-L196 CarbonylContact O-C 3.57Å; E182-L196 WeakPolarHBondContact O-CA 3.29Å; E182-Q197 PolarHBondContact N-O 3.12Å; E182-Q197 PolarHBondContact O-N 2.94Å; E182-L199 HydrophobicContact CB-CD1 3.88Å; E182-L199 HydrophobicContact CB-CG 4.04Å; E182-L199 WeakPolarHBondContact OE2-CD1 3.33Å |
| 183 | A | 84.4 | Confident | 75 | Confident | 8 Ų | 8 | 79.3 Ų | 79.3 | 7% | 0.066 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 109.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | W116 H195 L196 | W116-A183 HydrophobicContact CG-CB 4.44Å; W116-A183 PolarHBondContact NE1-O 2.95Å; A183-H195 CarbonylContact C-O 3.58Å; A183-H195 WeakPolarHBondContact CA-O 3.49Å; A183-L196 HydrophobicContact CB-CD2 3.39Å |
| 184 | T | 82.5 | Confident | 76.4 | Confident | 63 Ų | 63 | 76.9 Ų | 76.9 | 39% | 0.387 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 108.7 | 176.8 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | P194 H195 | T184-P194 CarbonylContact O-C 3.55Å; T184-P194 WeakPolarHBondContact O-CA 3.28Å; T184-H195 PolarHBondContact N-O 2.9Å; T184-H195 PolarHBondContact O-N 2.87Å |
| 185 | A | 84.9 | Confident | 77.9 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | trans | -94.9 | 136.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P194 | A185-P194 HydrophobicContact CB-CB 4.14Š| ||
| 186 | S | 83.9 | Confident | 79.7 | Confident | 44 Ų | 44 | 72.1 Ų | 72.1 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | trans | -69.1 | 148.6 | 170.4 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | T188 Y189 | S186-T188 PolarHBondContact O-N 2.9Å; S186-T188 PolarHBondContact OG-N 3.05Å; S186-Y189 WeakPolarHBondContact O-CB 3.47Å; S186-Y189 PolarHBondContact O-N 3.06Å | ||
| 187 | P | 84.2 | Confident | 80.8 | Confident | 136 Ų | 136 | 75.4 Ų | 75.4 | 88% | 0.883 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -15.6 | 173.7 | 21.7 | -33.3 | 0 | 0 | 0 | 114.3 | ||
| 188 | T | 86.2 | Confident | 81.4 | Confident | 99 Ų | 99 | 76 Ų | 76 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 7.9 | 178.7 | -35.3 | 0 | 0 | 0 | 0 | 113.6 | S186 L191 | S186-T188 PolarHBondContact O-N 2.9Å; S186-T188 PolarHBondContact OG-N 3.05Å; T188-L191 CarbonylContact C-O 3.39Å; T188-L191 VanDerWaalsContact CB-O 3.3Å; T188-L191 WeakPolarHBondContact CB-O 3.5Å; T188-L191 WeakPolarHBondContact CG2-O 3.45Å; T188-L191 CarbonylContact O-C 3.52Å; T188-L191 PolarHBondContact O-N 3.41Å |
| 189 | Y | 73.2 | Confident | 81.5 | Confident | 145 Ų | 145 | 78.3 Ų | 78.3 | 57% | 0.569 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 132 | 177.4 | -175.5 | -95.7 | 0 | 0 | 0 | 111.6 | S186 P194 | S186-Y189 WeakPolarHBondContact O-CB 3.47Å; S186-Y189 PolarHBondContact O-N 3.06Å; Y189-P194 HydrophobicContact CE2-CG 4.43Å |
| 190 | P | 79.7 | Confident | 81.2 | Confident | 94 Ų | 94 | 81.7 Ų | 81.7 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.8 | -5.7 | 25.2 | 31.8 | -35.7 | 0 | 0 | 0 | 117.2 | P192 | P190-P192 CarbonylContact O-C 3.58Š|
| 191 | L | 80.4 | Confident | 80.3 | Confident | 134 Ų | 134 | 86.5 Ų | 86.5 | 70% | 0.702 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -125.1 | 113.7 | -179.5 | -74.1 | 168.3 | 0 | 0 | 0 | 110.5 | T188 | T188-L191 CarbonylContact C-O 3.39Å; T188-L191 VanDerWaalsContact CB-O 3.3Å; T188-L191 WeakPolarHBondContact CB-O 3.5Å; T188-L191 WeakPolarHBondContact CG2-O 3.45Å; T188-L191 CarbonylContact O-C 3.52Å; T188-L191 PolarHBondContact O-N 3.41Å |
| 192 | P | 81.7 | Confident | 78.9 | Confident | 67 Ų | 67 | 86.6 Ų | 86.6 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | S | Bend | cis | -84.8 | 161.7 | 10.5 | 32.8 | -36.2 | 0 | 0 | 0 | 115.1 | P190 | P190-P192 CarbonylContact O-C 3.58Š|
| 193 | P | 81.8 | Confident | 77.4 | Confident | 90 Ų | 90 | 88.2 Ų | 88.2 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 150.7 | 172 | -22.2 | 32.3 | 0 | 0 | 0 | 112.9 | ||
| 194 | P | 85.2 | Confident | 75.7 | Confident | 38 Ų | 38 | 91.2 Ų | 91.2 | 25% | 0.247 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 141.9 | 179 | 27.7 | -34.8 | 0 | 0 | 0 | 111.4 | T184 A185 Y189 | T184-P194 CarbonylContact O-C 3.55Å; T184-P194 WeakPolarHBondContact O-CA 3.28Å; A185-P194 HydrophobicContact CB-CB 4.14Å; Y189-P194 HydrophobicContact CE2-CG 4.43Å |
| 195 | H | 83.6 | Confident | 73.9 | Confident | 104 Ų | 104 | 99.7 Ų | 99.7 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 118.9 | 173.9 | -174.9 | -90.4 | 0 | 0 | 0 | 109.4 | A183 T184 Q197 | A183-H195 CarbonylContact C-O 3.58Å; A183-H195 WeakPolarHBondContact CA-O 3.49Å; T184-H195 PolarHBondContact N-O 2.9Å; T184-H195 PolarHBondContact O-N 2.87Å; H195-Q197 WeakPolarHBondContact CE1-CG 3.33Å; H195-Q197 PolarHBondContact CE1-NE2 2.88Å |
| 196 | L | 89 | Confident | 73.3 | Confident | 61 Ų | 61 | 102.8 Ų | 102.8 | 32% | 0.319 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 129.6 | 179.2 | -58.3 | -178.4 | 0 | 0 | 0 | 110.2 | E182 A183 | E182-L196 CarbonylContact O-C 3.57Å; E182-L196 WeakPolarHBondContact O-CA 3.29Å; A183-L196 HydrophobicContact CB-CD2 3.39Å |
| 197 | Q | 84.2 | Confident | 72.8 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 45% | 0.453 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.9 | 171.5 | -71.8 | -178.1 | -33.7 | 0 | 0 | 110.2 | L181 E182 H195 L199 | L181-Q197 WeakPolarHBondContact CA-O 3.19Å; E182-Q197 PolarHBondContact N-O 3.12Å; E182-Q197 PolarHBondContact O-N 2.94Å; H195-Q197 WeakPolarHBondContact CE1-CG 3.33Å; H195-Q197 PolarHBondContact CE1-NE2 2.88Å; Q197-L199 PolarHBondContact O-N 3.18Å |
| 198 | T | 78.8 | Confident | 72.2 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 66% | 0.656 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 110.6 | 169.4 | 40.5 | 0 | 0 | 0 | 0 | 109.1 | T180 L181 Q200 | T180-T198 CarbonylContact O-C 3.57Å; T180-T198 WeakPolarHBondContact O-CA 3.43Å; L181-T198 HydrophobicContact CD2-CG2 3.48Å; L181-T198 VanDerWaalsContact CD2-CG2 3.48Å; T198-Q200 PolarHBondContact O-N 3.2Å |
| 199 | L | 72.1 | Confident | 71.3 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 42% | 0.424 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 99.1 | 169.3 | -65.7 | 178.9 | 0 | 0 | 0 | 107.7 | T180 E182 Q197 | T180-L199 WeakPolarHBondContact CB-O 3.46Å; T180-L199 HydrophobicContact CG2-CB 4.23Å; T180-L199 HydrophobicContact CG2-CD1 4.37Å; T180-L199 PolarHBondContact O-N 2.88Å; E182-L199 HydrophobicContact CB-CD1 3.88Å; E182-L199 HydrophobicContact CB-CG 4.04Å; E182-L199 WeakPolarHBondContact OE2-CD1 3.33Å; Q197-L199 PolarHBondContact O-N 3.18Å |
| 200 | Q | 68.7 | Low | 71.2 | Confident | 173 Ų | 173 | 101.9 Ų | 101.9 | 81% | 0.808 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | 51 | 115.5 | 163.8 | -164.1 | 172.8 | 2.8 | 0 | 0 | 117.2 | T198 G202 | T198-Q200 PolarHBondContact O-N 3.2Å; Q200-G202 PolarHBondContact O-N 2.97Å; Q200-G202 VanDerWaalsContact O-N 3.16Å |
| 201 | E | 57.5 | Low | 70.7 | Confident | 158 Ų | 158 | 102.5 Ų | 102.5 | 74% | 0.738 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.2 | 112.5 | 164.1 | -76 | -176.2 | 141 | 0 | 0 | 109.8 | ||
| 202 | G | 53.9 | Low | 70 | Confident | 36 Ų | 36 | 100.2 Ų | 100.2 | 37% | 0.371 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 115.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q200 C204 | Q200-G202 PolarHBondContact O-N 2.97Å; Q200-G202 VanDerWaalsContact O-N 3.16Å; G202-C204 PolarHBondContact O-N 3.09Å; G202-C204 VanDerWaalsContact O-N 3.14Å |
| 203 | A | 48.7 | Very low | 69.1 | Low | 79 Ų | 79 | 102.8 Ų | 102.8 | 65% | 0.653 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.2 | 108.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | F205 | A203-F205 HydrophobicContact CB-CE2 4.26Å; A203-F205 PolarHBondContact O-N 3.35Å |
| 204 | C | 50.3 | Low | 68 | Low | 70 Ų | 70 | 103.8 Ų | 103.8 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84 | 109.2 | 168.5 | -64.2 | 0 | 0 | 0 | 0 | 107.7 | S176 G202 | S176-C204 PolarHBondContact OG-O 3.29Å; G202-C204 PolarHBondContact O-N 3.09Å; G202-C204 VanDerWaalsContact O-N 3.14Å |
| 205 | F | 43.8 | Very low | 66.4 | Low | 242 Ų | 242 | 109.8 Ų | 109.8 | 100% | 1.061 | 59% | 0.585 | S | S | * | * | trans | -80.5 | 0 | 168.8 | -68.8 | -80.4 | 0 | 0 | 0 | 111.1 | A203 | A203-F205 HydrophobicContact CB-CE2 4.26Å; A203-F205 PolarHBondContact O-N 3.35Å |
Retrieved 205 of 205 residues in 121.4 ms
(Link to these results)