| 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 | 54.2 | Low | 54.7 | Low | 232 Ų | 232 | 159.3 Ų | 159.3 | 100% | 1.143 | 87% | 0.874 | S | S | * | * | 0 | 79 | 0 | -59 | 175 | 175.7 | 0 | 0 | 106.1 | |||||
| 2 | T | 45.6 | Very low | 55.2 | Low | 128 Ų | 128 | 161.8 Ų | 161.8 | 79% | 0.785 | 87% | 0.87 | S | S | * | * | 43.5 | 113.7 | 94.5 | 58.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3 | T | 58.7 | Low | 55.1 | Low | 143 Ų | 143 | 163.9 Ų | 163.9 | 88% | 0.877 | 87% | 0.871 | S | S | * | * | -161.8 | 156.7 | 66.4 | 40.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 4 | K | 51.1 | Low | 54.8 | Low | 200 Ų | 200 | 161.2 Ų | 161.2 | 87% | 0.87 | 86% | 0.864 | S | S | * | * | trans | -95.9 | 156.2 | -178.6 | -103 | 176.3 | 170.4 | -178 | 0 | 111.6 | ||||
| 5 | A | 52.3 | Low | 55.2 | Low | 98 Ų | 98 | 163.3 Ų | 163.3 | 81% | 0.81 | 86% | 0.862 | S | S | * | * | trans | 65 | 128.2 | 135.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 6 | A | 58.3 | Low | 55.2 | Low | 105 Ų | 105 | 163.1 Ų | 163.1 | 87% | 0.868 | 86% | 0.862 | S | S | * | * | 179 | 137.6 | 95.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 7 | D | 49.1 | Very low | 55.5 | Low | 163 Ų | 163 | 161.4 Ų | 161.4 | 87% | 0.872 | 86% | 0.859 | S | S | * | * | trans | -110.5 | 133.2 | -179.5 | -142.1 | -29.2 | 0 | 0 | 0 | 107.5 | ||||
| 8 | E | 67.1 | Low | 55.5 | Low | 185 Ų | 185 | 163.4 Ų | 163.4 | 86% | 0.864 | 86% | 0.859 | S | S | * | * | trans | -109.5 | 129.6 | 175.8 | -95.8 | -169.9 | 130.3 | 0 | 0 | 109.4 | ||||
| 9 | P | 57.6 | Low | 55.4 | Low | 132 Ų | 132 | 165 Ų | 165 | 86% | 0.857 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 142.2 | 172.7 | 33 | -24.2 | 0 | 0 | 0 | 113.7 | ||
| 10 | V | 58.8 | Low | 55.5 | Low | 124 Ų | 124 | 161.3 Ų | 161.3 | 75% | 0.752 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 132.3 | -176.6 | 166.8 | 0 | 0 | 0 | 0 | 113.7 | K12 | V10-K12 HydrophobicContact CG1-CG 4.34Š|
| 11 | R | 48.8 | Very low | 55.5 | Low | 242 Ų | 242 | 161 Ų | 161 | 91% | 0.913 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 130.3 | 162.3 | -84.4 | 177.4 | 168.9 | 165.1 | -3.5 | 110.9 | ||
| 12 | K | 61.5 | Low | 55.6 | Low | 190 Ų | 190 | 160.8 Ų | 160.8 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | trans | -130 | 121.8 | 154.8 | -75.3 | -172.4 | 179.8 | 178 | 0 | 109.7 | V10 | V10-K12 HydrophobicContact CG1-CG 4.34Š| ||
| 13 | E | 53.4 | Low | 56.4 | Low | 189 Ų | 189 | 163.3 Ų | 163.3 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.1 | 178.4 | -66 | 170.2 | 126.3 | 0 | 0 | 110.8 | ||
| 14 | T | 50.7 | Low | 56.2 | Low | 126 Ų | 126 | 163.5 Ų | 163.5 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 123.7 | 167.3 | 45.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 15 | K | 61.4 | Low | 56.6 | Low | 193 Ų | 193 | 158.9 Ų | 158.9 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 116.3 | 168.1 | -75.4 | -178.2 | 178 | 177.3 | 0 | 108.6 | V17 | K15-V17 PolarHBondContact O-N 2.68Š|
| 16 | D | 54.6 | Low | 57.1 | Low | 160 Ų | 160 | 160.4 Ų | 160.4 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 119.8 | 167.5 | -60.4 | -79.7 | 0 | 0 | 0 | 110.6 | ||
| 17 | V | 60.3 | Low | 57.1 | Low | 134 Ų | 134 | 161.1 Ų | 161.1 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -112.5 | 116 | 166.3 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | K15 E19 | K15-V17 PolarHBondContact O-N 2.68Å; V17-E19 PolarHBondContact O-N 3.3Å | ||
| 18 | K | 55 | Low | 57.4 | Low | 198 Ų | 198 | 160 Ų | 160 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -52 | 121.7 | 176.2 | -82.2 | 172.2 | 170.2 | 173.7 | 0 | 111.1 | S20 | K18-S20 PolarHBondContact O-N 3.13Š| ||
| 19 | E | 54.4 | Low | 56.9 | Low | 193 Ų | 193 | 156.1 Ų | 156.1 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -77.9 | 106 | 163.8 | -161 | 152.6 | -155.7 | 0 | 0 | 106.9 | V17 | V17-E19 PolarHBondContact O-N 3.3Š| ||
| 20 | S | 56.8 | Low | 56.7 | Low | 90 Ų | 90 | 157.4 Ų | 157.4 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | -88.9 | 123.8 | 171.2 | 55.4 | 0 | 0 | 0 | 0 | 108.4 | K18 Y22 | K18-S20 PolarHBondContact O-N 3.13Å; S20-Y22 PolarHBondContact O-N 3.29Å; S20-Y22 VanDerWaalsContact O-N 3.15Å | ||
| 21 | D | 55.4 | Low | 56.3 | Low | 157 Ų | 157 | 157.3 Ų | 157.3 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -42 | 110.2 | 175.9 | -61.1 | -57.4 | 0 | 0 | 0 | 112.5 | Q23 | D21-Q23 PolarHBondContact O-N 3.5Š| ||
| 22 | Y | 57.5 | Low | 56.4 | Low | 227 Ų | 227 | 149.9 Ų | 149.9 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -81.1 | 102.2 | 160.6 | -91.6 | -93.3 | 0 | 0 | 0 | 107.1 | S20 D24 | S20-Y22 PolarHBondContact O-N 3.29Å; S20-Y22 VanDerWaalsContact O-N 3.15Å; Y22-D24 PolarHBondContact O-N 3.07Å | ||
| 23 | Q | 60.6 | Low | 55.7 | Low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -71.5 | 104 | 167.3 | -68.4 | -178.3 | -57.2 | 0 | 0 | 108.1 | D21 S25 | D21-Q23 PolarHBondContact O-N 3.5Å; Q23-S25 PolarHBondContact O-N 3.5Å; Q23-S25 VanDerWaalsContact O-N 3.17Å | ||
| 24 | D | 56.1 | Low | 55.7 | Low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -66.9 | 101.3 | 163.5 | -117.1 | -11.3 | 0 | 0 | 0 | 107.7 | Y22 | Y22-D24 PolarHBondContact O-N 3.07Š| ||
| 25 | S | 59.9 | Low | 55.8 | Low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -107.7 | 84.5 | 165.1 | 60.8 | 0 | 0 | 0 | 0 | 107.6 | Q23 D27 | Q23-S25 PolarHBondContact O-N 3.5Å; Q23-S25 VanDerWaalsContact O-N 3.17Å; S25-D27 VanDerWaalsContact C-N 3.25Å; S25-D27 PolarHBondContact O-N 2.82Å | ||
| 26 | D | 60.9 | Low | 55.5 | Low | 129 Ų | 129 | 141 Ų | 141 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | -66.4 | 89.9 | 162.2 | -70.3 | -43.4 | 0 | 0 | 0 | 107.7 | D28 | D26-D28 PolarHBondContact O-N 2.95Š| ||
| 27 | D | 59.3 | Low | 55.8 | Low | 120 Ų | 120 | 137.9 Ų | 137.9 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | trans | -72.9 | 86.9 | 165.4 | -176.1 | -100.8 | 0 | 0 | 0 | 107.6 | S25 T29 | S25-D27 VanDerWaalsContact C-N 3.25Å; S25-D27 PolarHBondContact O-N 2.82Å; D27-T29 PolarHBondContact O-N 3.5Å; D27-T29 VanDerWaalsContact OD1-CB 3.29Å; D27-T29 WeakPolarHBondContact OD1-CB 3.27Å; D27-T29 WeakPolarHBondContact OD1-CG2 3.26Å; D27-T29 PolarHBondContact OD1-OG1 3.44Å | ||
| 28 | D | 54.9 | Low | 55.7 | Low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -65.3 | 66.7 | 161.5 | -77.2 | -49.2 | 0 | 0 | 0 | 109.3 | D26 L30 | D26-D28 PolarHBondContact O-N 2.95Å; D28-L30 PolarHBondContact O-N 3.16Å | ||
| 29 | T | 56.6 | Low | 55.7 | Low | 105 Ų | 105 | 141.9 Ų | 141.9 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | trans | -73.7 | 82.4 | 161.7 | 34.6 | 0 | 0 | 0 | 0 | 108.4 | D27 S31 | D27-T29 PolarHBondContact O-N 3.5Å; D27-T29 VanDerWaalsContact OD1-CB 3.29Å; D27-T29 WeakPolarHBondContact OD1-CB 3.27Å; D27-T29 WeakPolarHBondContact OD1-CG2 3.26Å; D27-T29 PolarHBondContact OD1-OG1 3.44Å; T29-S31 VanDerWaalsContact C-N 3.3Å; T29-S31 PolarHBondContact O-N 3.04Å | ||
| 30 | L | 54.6 | Low | 56.1 | Low | 158 Ų | 158 | 135.3 Ų | 135.3 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -48.3 | 99.6 | 155.9 | -64.5 | 173.3 | 0 | 0 | 0 | 107.3 | D28 S32 | D28-L30 PolarHBondContact O-N 3.16Å; L30-S32 PolarHBondContact O-N 3.45Å | ||
| 31 | S | 49.7 | Very low | 56.6 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -65.4 | 92 | 171.3 | -163.3 | 0 | 0 | 0 | 0 | 107.1 | T29 S33 | T29-S31 VanDerWaalsContact C-N 3.3Å; T29-S31 PolarHBondContact O-N 3.04Å; S31-S33 PolarHBondContact O-N 3.48Å | ||
| 32 | S | 49.7 | Very low | 57.2 | Low | 86 Ų | 86 | 134.5 Ų | 134.5 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | -25.4 | 113.4 | 164.2 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L30 T34 | L30-S32 PolarHBondContact O-N 3.45Å; S32-T34 VanDerWaalsContact C-N 3.3Å; S32-T34 PolarHBondContact O-N 3.37Å | ||
| 33 | S | 48.5 | Very low | 57.9 | Low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -54.6 | 96.1 | 164 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | S31 | S31-S33 PolarHBondContact O-N 3.48Š| ||
| 34 | T | 53 | Low | 58.4 | Low | 116 Ų | 116 | 126.5 Ų | 126.5 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | -79.9 | 121 | 163 | 37.9 | 0 | 0 | 0 | 0 | 106.7 | S32 D36 | S32-T34 VanDerWaalsContact C-N 3.3Å; S32-T34 PolarHBondContact O-N 3.37Å; T34-D36 PolarHBondContact O-N 2.89Å | ||
| 35 | D | 53.4 | Low | 58.6 | Low | 146 Ų | 146 | 126.6 Ų | 126.6 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -38.5 | 101.4 | 168.8 | -102 | -73.5 | 0 | 0 | 0 | 111.8 | S37 | D35-S37 PolarHBondContact O-N 2.91Å; D35-S37 PolarHBondContact OD1-OG 3.07Å | ||
| 36 | D | 54.3 | Low | 58.7 | Low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -88.8 | 45.2 | 172.6 | -128.8 | -44.5 | 0 | 0 | 0 | 109.9 | T34 | T34-D36 PolarHBondContact O-N 2.89Š| ||
| 37 | S | 61.4 | Low | 58.8 | Low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | trans | -91.6 | 5.7 | -173.8 | -65.8 | 0 | 0 | 0 | 0 | 114 | D35 | D35-S37 PolarHBondContact O-N 2.91Å; D35-S37 PolarHBondContact OD1-OG 3.07Å | ||
| 38 | E | 57.6 | Low | 58.7 | Low | 190 Ų | 190 | 131.8 Ų | 131.8 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | trans | -133.9 | 25.4 | -177.9 | -63.5 | -151.5 | 151.3 | 0 | 0 | 116.4 | G40 | E38-G40 PolarHBondContact O-N 2.87Š| ||
| 39 | R | 55.1 | Low | 59 | Low | 226 Ų | 226 | 135.4 Ų | 135.4 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -79.6 | 77.8 | 162.9 | -107.9 | 169.4 | -169.8 | -139.8 | -0.1 | 110.5 | ||||
| 40 | G | 61.7 | Low | 59 | Low | 55 Ų | 55 | 134.4 Ų | 134.4 | 57% | 0.567 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 151.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E38 | E38-G40 PolarHBondContact O-N 2.87Š|
| 41 | P | 67.9 | Low | 59.2 | Low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.2 | -179 | 22.4 | -31.3 | 0 | 0 | 0 | 110 | ||
| 42 | P | 68 | Low | 59.9 | Low | 110 Ų | 110 | 129.7 Ų | 129.7 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 142 | 176.8 | 23.9 | -33.4 | 0 | 0 | 0 | 109.3 | V44 | P42-V44 PolarHBondContact O-N 3.33Š|
| 43 | P | 72.5 | Confident | 60.5 | Low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 127.1 | -177.7 | 22.5 | -33 | 0 | 0 | 0 | 109.6 | L45 | P43-L45 PolarHBondContact O-N 3.04Š|
| 44 | V | 70.6 | Confident | 61.6 | Low | 125 Ų | 125 | 130.7 Ų | 130.7 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | trans | -65.6 | 106.9 | 172.8 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | P42 E46 | P42-V44 PolarHBondContact O-N 3.33Å; V44-E46 VanDerWaalsContact C-N 3.33Å; V44-E46 HydrophobicContact CG1-CG 4.32Å; V44-E46 PolarHBondContact O-N 3.48Å | ||
| 45 | L | 61.5 | Low | 62.4 | Low | 149 Ų | 149 | 129.5 Ų | 129.5 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | trans | -68.1 | 97.9 | 166.5 | -67.9 | 174.9 | 0 | 0 | 0 | 107.1 | P43 I47 | P43-L45 PolarHBondContact O-N 3.04Å; L45-I47 PolarHBondContact O-N 2.92Å | ||
| 46 | E | 61.8 | Low | 62.8 | Low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | trans | -67.8 | 86.2 | 165.8 | -67.9 | -170.4 | 170.4 | 0 | 0 | 107.9 | V44 E48 | V44-E46 VanDerWaalsContact C-N 3.33Å; V44-E46 HydrophobicContact CG1-CG 4.32Å; V44-E46 PolarHBondContact O-N 3.48Å; E46-E48 PolarHBondContact O-N 3.4Å | ||
| 47 | I | 62 | Low | 63.5 | Low | 147 Ų | 147 | 127.4 Ų | 127.4 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | -68.5 | 92.3 | 166.8 | -56.9 | 172.3 | 0 | 0 | 0 | 105.5 | L45 K49 | L45-I47 PolarHBondContact O-N 2.92Å; I47-K49 PolarHBondContact O-N 3.16Å | ||
| 48 | E | 57.5 | Low | 63.8 | Low | 146 Ų | 146 | 125.5 Ų | 125.5 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | trans | -51.2 | 124.5 | 170.6 | -66.8 | -167 | 167.4 | 0 | 0 | 108.4 | E46 S50 | E46-E48 PolarHBondContact O-N 3.4Å; E48-S50 WeakPolarHBondContact CB-OG 3.23Å; E48-S50 PolarHBondContact O-N 2.87Å; E48-S50 PolarHBondContact OE2-OG 3.12Å | ||
| 49 | K | 61.5 | Low | 64.3 | Low | 215 Ų | 215 | 119.2 Ų | 119.2 | 94% | 0.935 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 36.4 | 179.5 | -66.4 | 176.6 | 178.2 | 172.9 | 0 | 112.2 | I47 | I47-K49 PolarHBondContact O-N 3.16Š|
| 50 | S | 56.6 | Low | 64.5 | Low | 83 Ų | 83 | 115.8 Ų | 115.8 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 2.9 | -168.1 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | E48 | E48-S50 WeakPolarHBondContact CB-OG 3.23Å; E48-S50 PolarHBondContact O-N 2.87Å; E48-S50 PolarHBondContact OE2-OG 3.12Å |
| 51 | A | 60 | Low | 64.6 | Low | 66 Ų | 66 | 117.2 Ų | 117.2 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -94.4 | 98.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | F53 L56 | A51-F53 PolarHBondContact O-N 3.11Å; A51-F53 VanDerWaalsContact O-N 3.16Å; A51-L56 HydrophobicContact CB-CD1 4.4Å |
| 52 | D | 63.2 | Low | 64.2 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | trans | -52.8 | 121.6 | 173.7 | -73.6 | -37.6 | 0 | 0 | 0 | 110.1 | G54 T55 L56 | D52-G54 PolarHBondContact O-N 3.08Å; D52-T55 PolarHBondContact O-N 3.35Å; D52-L56 PolarHBondContact O-N 2.97Å | ||
| 53 | F | 63.5 | Low | 63.7 | Low | 170 Ų | 170 | 113.8 Ų | 113.8 | 75% | 0.746 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -51.9 | -21.2 | 174.2 | -103.4 | -93.1 | 0 | 0 | 0 | 112.6 | A51 K57 | A51-F53 PolarHBondContact O-N 3.11Å; A51-F53 VanDerWaalsContact O-N 3.16Å; F53-K57 PolarHBondContact O-N 3.33Å |
| 54 | G | 69.8 | Low | 62.7 | Low | 51 Ų | 51 | 113.4 Ų | 113.4 | 53% | 0.526 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.2 | -42.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D52 K57 S58 | D52-G54 PolarHBondContact O-N 3.08Å; G54-K57 PolarHBondContact O-N 2.87Å; G54-S58 PolarHBondContact O-N 3.46Å; G54-S58 PolarHBondContact O-OG 2.95Å |
| 55 | T | 70.2 | Confident | 62 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.7 | -37.2 | -177.4 | -42.2 | 0 | 0 | 0 | 0 | 111.5 | D52 S58 A59 | D52-T55 PolarHBondContact O-N 3.35Å; T55-S58 WeakPolarHBondContact CA-OG 3.5Å; T55-S58 PolarHBondContact O-N 3.42Å; T55-S58 PolarHBondContact O-OG 3.45Å; T55-A59 WeakPolarHBondContact O-CB 3.22Å; T55-A59 PolarHBondContact O-N 3.2Å |
| 56 | L | 63.1 | Low | 61.7 | Low | 85 Ų | 85 | 115.8 Ų | 115.8 | 45% | 0.445 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.8 | -44.1 | 173.1 | -75.7 | 165.1 | 0 | 0 | 0 | 111.4 | A51 D52 S58 A59 F60 | A51-L56 HydrophobicContact CB-CD1 4.4Å; D52-L56 PolarHBondContact O-N 2.97Å; L56-S58 VanDerWaalsContact C-N 3.34Å; L56-S58 PolarHBondContact O-N 3.45Å; L56-A59 PolarHBondContact O-N 2.96Å; L56-F60 WeakPolarHBondContact O-CD2 3.47Å; L56-F60 PolarHBondContact O-N 3.24Å |
| 57 | K | 68.1 | Low | 61.3 | Low | 152 Ų | 152 | 114.5 Ų | 114.5 | 66% | 0.661 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -58.3 | -45 | 173.7 | -85.1 | 179.6 | 177.4 | 178.6 | 0 | 111.8 | F53 G54 A59 F60 T61 | F53-K57 PolarHBondContact O-N 3.33Å; G54-K57 PolarHBondContact O-N 2.87Å; K57-A59 VanDerWaalsContact C-N 3.33Å; K57-A59 PolarHBondContact O-N 2.83Å; K57-F60 PolarHBondContact O-N 3.4Å; K57-T61 WeakPolarHBondContact O-CG2 3.27Å; K57-T61 PolarHBondContact O-N 3.47Å; K57-T61 PolarHBondContact O-OG1 3Å; K57-T61 VanDerWaalsContact O-OG1 3.11Å |
| 58 | S | 67.9 | Low | 60.7 | Low | 56 Ų | 56 | 114 Ų | 114 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.7 | -32.7 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | G54 T55 L56 T61 S62 | G54-S58 PolarHBondContact O-N 3.46Å; G54-S58 PolarHBondContact O-OG 2.95Å; T55-S58 WeakPolarHBondContact CA-OG 3.5Å; T55-S58 PolarHBondContact O-N 3.42Å; T55-S58 PolarHBondContact O-OG 3.45Å; L56-S58 VanDerWaalsContact C-N 3.34Å; L56-S58 PolarHBondContact O-N 3.45Å; S58-T61 WeakPolarHBondContact CA-OG1 3.48Å; S58-T61 PolarHBondContact O-OG1 2.61Å; S58-S62 VanDerWaalsContact O-CB 3.22Å; S58-S62 WeakPolarHBondContact O-CB 3.41Å; S58-S62 PolarHBondContact O-N 3.22Å; S58-S62 PolarHBondContact O-OG 3.11Å |
| 59 | A | 68.4 | Low | 60.3 | Low | 57 Ų | 57 | 116.4 Ų | 116.4 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.4 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T55 L56 K57 N63 | T55-A59 WeakPolarHBondContact O-CB 3.22Å; T55-A59 PolarHBondContact O-N 3.2Å; L56-A59 PolarHBondContact O-N 2.96Å; K57-A59 VanDerWaalsContact C-N 3.33Å; K57-A59 PolarHBondContact O-N 2.83Å; A59-N63 PolarHBondContact O-N 3.42Å |
| 60 | F | 58.7 | Low | 59.7 | Low | 154 Ų | 154 | 115.2 Ų | 115.2 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69 | -38.1 | 174.4 | -76.7 | -70.6 | 0 | 0 | 0 | 112.3 | L56 K57 | L56-F60 WeakPolarHBondContact O-CD2 3.47Å; L56-F60 PolarHBondContact O-N 3.24Å; K57-F60 PolarHBondContact O-N 3.4Å |
| 61 | T | 64.7 | Low | 59.3 | Low | 86 Ų | 86 | 121.3 Ų | 121.3 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -78.6 | -20.9 | 179.5 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | K57 S58 | K57-T61 WeakPolarHBondContact O-CG2 3.27Å; K57-T61 PolarHBondContact O-N 3.47Å; K57-T61 PolarHBondContact O-OG1 3Å; K57-T61 VanDerWaalsContact O-OG1 3.11Å; S58-T61 WeakPolarHBondContact CA-OG1 3.48Å; S58-T61 PolarHBondContact O-OG1 2.61Å |
| 62 | S | 59.4 | Low | 58.5 | Low | 69 Ų | 69 | 122.6 Ų | 122.6 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -88.4 | -25.2 | -178.9 | -54.1 | 0 | 0 | 0 | 0 | 113 | S58 | S58-S62 VanDerWaalsContact O-CB 3.22Å; S58-S62 WeakPolarHBondContact O-CB 3.41Å; S58-S62 PolarHBondContact O-N 3.22Å; S58-S62 PolarHBondContact O-OG 3.11Å |
| 63 | N | 56.3 | Low | 57.9 | Low | 88 Ų | 88 | 123.1 Ų | 123.1 | 47% | 0.471 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -82.1 | -22.8 | 178.9 | -146.3 | -3.9 | 0 | 0 | 0 | 112.5 | A59 Q65 Q66 Q67 | A59-N63 PolarHBondContact O-N 3.42Å; N63-Q65 VanDerWaalsContact C-N 3.27Å; N63-Q65 PolarHBondContact O-N 3.39Å; N63-Q66 PolarHBondContact O-N 3.04Å; N63-Q67 PolarHBondContact O-N 3.37Å; N63-Q67 PolarHBondContact OD1-NE2 3.41Å; N63-Q67 VanDerWaalsContact OD1-NE2 3.08Å |
| 64 | D | 52.9 | Low | 57.4 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 57% | 0.567 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -22 | 172.2 | -93.3 | -32.7 | 0 | 0 | 0 | 113.3 | Q68 | D64-Q68 WeakPolarHBondContact O-CG 3.44Š|
| 65 | Q | 55.6 | Low | 56.6 | Low | 162 Ų | 162 | 121 Ų | 121 | 76% | 0.757 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -15.6 | 178.9 | -64.6 | -173.3 | 13.4 | 0 | 0 | 113.6 | N63 | N63-Q65 VanDerWaalsContact C-N 3.27Å; N63-Q65 PolarHBondContact O-N 3.39Å |
| 66 | Q | 55.1 | Low | 56 | Low | 162 Ų | 162 | 123.4 Ų | 123.4 | 76% | 0.757 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -16.6 | -179.2 | -71.9 | -177 | -4.5 | 0 | 0 | 114 | N63 | N63-Q66 PolarHBondContact O-N 3.04Š|
| 67 | Q | 51.8 | Low | 55.6 | Low | 143 Ų | 143 | 126.2 Ų | 126.2 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -95.6 | 1 | 176.2 | -66.7 | -175.8 | 31.7 | 0 | 0 | 114.7 | N63 | N63-Q67 PolarHBondContact O-N 3.37Å; N63-Q67 PolarHBondContact OD1-NE2 3.41Å; N63-Q67 VanDerWaalsContact OD1-NE2 3.08Å |
| 68 | Q | 49.5 | Very low | 54.8 | Low | 137 Ų | 137 | 124.2 Ų | 124.2 | 64% | 0.64 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -98.5 | 6.5 | 180 | -68.5 | -171.8 | 12 | 0 | 0 | 114.9 | D64 | D64-Q68 WeakPolarHBondContact O-CG 3.44Š|
| 69 | K | 49.1 | Very low | 54.1 | Low | 195 Ų | 195 | 127.8 Ų | 127.8 | 85% | 0.848 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -102.2 | 3.4 | -173.7 | -129.1 | 175 | -176.6 | 179.4 | 0 | 116.9 | ||
| 70 | E | 49.3 | Very low | 53.4 | Low | 190 Ų | 190 | 129.4 Ų | 129.4 | 89% | 0.888 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -136.6 | 14.3 | -179.2 | -72.1 | -172.9 | 159.3 | 0 | 0 | 115.9 | ||
| 71 | R | 48.5 | Very low | 53.1 | Low | 211 Ų | 211 | 129.2 Ų | 129.2 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -109.5 | 93.4 | 168.7 | -81.2 | -178.3 | 176.7 | -137.3 | 1.3 | 110.6 | T73 | R71-T73 PolarHBondContact O-N 3.08Š|
| 72 | T | 43.7 | Very low | 52.7 | Low | 93 Ų | 93 | 134.7 Ų | 134.7 | 57% | 0.571 | 66% | 0.661 | S | S | * | * | trans | 16.8 | 100.5 | 157.9 | 52 | 0 | 0 | 0 | 0 | 115.1 | A74 | T72-A74 PolarHBondContact O-N 3.09Š| ||
| 73 | T | 49.7 | Very low | 52.4 | Low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 14.9 | 171 | 37.9 | 0 | 0 | 0 | 0 | 114.6 | R71 | R71-T73 PolarHBondContact O-N 3.08Š|
| 74 | A | 53.2 | Low | 52.2 | Low | 68 Ų | 68 | 134.2 Ų | 134.2 | 56% | 0.562 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -25.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T72 | T72-A74 PolarHBondContact O-N 3.09Š|
| 75 | D | 53.4 | Low | 52.8 | Low | 108 Ų | 108 | 135.5 Ų | 135.5 | 58% | 0.578 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -18.6 | -173.4 | -71.7 | -37.4 | 0 | 0 | 0 | 114.2 | ||
| 76 | K | 57 | Low | 53.3 | Low | 141 Ų | 141 | 134.5 Ų | 134.5 | 61% | 0.613 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -19.6 | 177 | -68.3 | 179.4 | 179.8 | 174.6 | 0 | 113 | ||
| 77 | E | 55.3 | Low | 53.7 | Low | 144 Ų | 144 | 131.5 Ų | 131.5 | 67% | 0.673 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -21.3 | 179.5 | -65.5 | -172.3 | 159.3 | 0 | 0 | 112.5 | ||
| 78 | M | 51.3 | Low | 54.2 | Low | 110 Ų | 110 | 130 Ų | 130 | 54% | 0.542 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -85 | -10.6 | -177.7 | -148.8 | -179.8 | 62.7 | 0 | 0 | 114.9 | ||
| 79 | I | 52.8 | Low | 55.2 | Low | 131 Ų | 131 | 127.8 Ų | 127.8 | 67% | 0.672 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -95.9 | -21.5 | 177.9 | -60.8 | 175.8 | 0 | 0 | 0 | 111.8 | ||
| 80 | V | 54.2 | Low | 56.2 | Low | 91 Ų | 91 | 122.9 Ų | 122.9 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -85.4 | -9.7 | -179.3 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 81 | E | 53.3 | Low | 57.2 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 70% | 0.696 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -91.7 | -14.1 | 174.2 | -74.4 | -166.5 | 147.6 | 0 | 0 | 114.8 | ||
| 82 | R | 56.4 | Low | 58.3 | Low | 201 Ų | 201 | 112.5 Ų | 112.5 | 76% | 0.758 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -91.8 | -11 | -179.4 | -69.6 | -171.5 | -155.6 | -174.6 | 5.2 | 115.2 | ||
| 83 | L | 51.7 | Low | 59.6 | Low | 127 Ų | 127 | 110.4 Ų | 110.4 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -108 | 94.4 | 165.5 | -67.1 | 172.8 | 0 | 0 | 0 | 105.6 | K85 | L83-K85 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact O-N 3.16Å |
| 84 | G | 53.2 | Low | 60.6 | Low | 20 Ų | 20 | 108 Ų | 108 | 21% | 0.206 | 56% | 0.559 | C | S | . | * | trans | -41.8 | 123.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E86 N87 | G84-E86 PolarHBondContact O-N 3.13Å; G84-N87 PolarHBondContact O-N 3.07Å | ||
| 85 | K | 65.1 | Low | 61.2 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -51.8 | -24.8 | 180 | -66.2 | 168.5 | -178.1 | 167.7 | 0 | 111.5 | L83 N87 L88 V89 | L83-K85 PolarHBondContact O-N 3.37Å; L83-K85 VanDerWaalsContact O-N 3.16Å; K85-N87 PolarHBondContact O-N 2.86Å; K85-L88 PolarHBondContact O-N 3.23Å; K85-V89 VanDerWaalsContact O-CG2 3.26Å; K85-V89 WeakPolarHBondContact O-CG2 3.5Å; K85-V89 PolarHBondContact O-N 3.39Å; K85-V89 VanDerWaalsContact O-N 3.08Å |
| 86 | E | 66.7 | Low | 62 | Low | 140 Ų | 140 | 112.4 Ų | 112.4 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.7 | -38.1 | 170.2 | 62.2 | -147.6 | 169.6 | 0 | 0 | 114.9 | G84 N90 | G84-E86 PolarHBondContact O-N 3.13Å; E86-N90 WeakPolarHBondContact O-CB 3.28Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 2.92Å; E86-N90 PolarHBondContact O-OD1 3.23Å |
| 87 | N | 63.6 | Low | 62.5 | Low | 99 Ų | 99 | 109.8 Ų | 109.8 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.8 | -36.2 | 178.4 | -76.3 | -29 | 0 | 0 | 0 | 112.5 | G84 K85 I91 | G84-N87 PolarHBondContact O-N 3.07Å; K85-N87 PolarHBondContact O-N 2.86Å; N87-I91 WeakPolarHBondContact O-CD1 3.35Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.45Å; N87-I91 PolarHBondContact O-N 3.45Å; N87-I91 VanDerWaalsContact O-N 3.11Å |
| 88 | L | 60.7 | Low | 62.9 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.4 | -42 | 176.1 | -119.5 | 96.4 | 0 | 0 | 0 | 111.6 | K85 N90 I91 T92 | K85-L88 PolarHBondContact O-N 3.23Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.02Å; L88-I91 PolarHBondContact O-N 3.02Å; L88-T92 WeakPolarHBondContact O-CG2 3.39Å; L88-T92 PolarHBondContact O-N 3.37Å; L88-T92 PolarHBondContact O-OG1 3.44Å |
| 89 | V | 71.8 | Confident | 63.5 | Low | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.7 | -35.6 | 178 | 175 | 0 | 0 | 0 | 0 | 111.4 | K85 T92 S93 | K85-V89 VanDerWaalsContact O-CG2 3.26Å; K85-V89 WeakPolarHBondContact O-CG2 3.5Å; K85-V89 PolarHBondContact O-N 3.39Å; K85-V89 VanDerWaalsContact O-N 3.08Å; V89-T92 WeakPolarHBondContact CA-OG1 3.43Å; V89-T92 PolarHBondContact O-OG1 3.34Å; V89-T92 VanDerWaalsContact O-OG1 3.12Å; V89-S93 VanDerWaalsContact O-CB 3.27Å; V89-S93 WeakPolarHBondContact O-CB 3.37Å; V89-S93 PolarHBondContact O-N 2.8Å; V89-S93 PolarHBondContact O-OG 3.38Å |
| 90 | N | 69.6 | Low | 63.4 | Low | 91 Ų | 91 | 111.6 Ų | 111.6 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.6 | -44.6 | 173.5 | -73.3 | -11.5 | 0 | 0 | 0 | 111.7 | E86 L88 S93 T94 | E86-N90 WeakPolarHBondContact O-CB 3.28Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 2.92Å; E86-N90 PolarHBondContact O-OD1 3.23Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.02Å; N90-S93 PolarHBondContact O-N 3.29Å; N90-S93 PolarHBondContact O-OG 3.27Å; N90-S93 VanDerWaalsContact O-OG 3.13Å; N90-T94 VanDerWaalsContact O-CG2 3.27Å; N90-T94 WeakPolarHBondContact O-CG2 3.44Å; N90-T94 PolarHBondContact O-N 3.1Å; N90-T94 PolarHBondContact O-OG1 2.98Å; N90-T94 VanDerWaalsContact O-OG1 3.07Å |
| 91 | I | 69.4 | Low | 63.4 | Low | 114 Ų | 114 | 117 Ų | 117 | 59% | 0.585 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.3 | -43.9 | 176.9 | -66.1 | 165 | 0 | 0 | 0 | 111.1 | N87 L88 T94 F95 | N87-I91 WeakPolarHBondContact O-CD1 3.35Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.45Å; N87-I91 PolarHBondContact O-N 3.45Å; N87-I91 VanDerWaalsContact O-N 3.11Å; L88-I91 PolarHBondContact O-N 3.02Å; I91-T94 WeakPolarHBondContact CA-OG1 3.17Å; I91-T94 PolarHBondContact O-N 3.19Å; I91-T94 PolarHBondContact O-OG1 3.41Å; I91-F95 WeakPolarHBondContact O-CB 3.41Å; I91-F95 PolarHBondContact O-N 3.45Å |
| 92 | T | 72.1 | Confident | 63.4 | Low | 70 Ų | 70 | 118.4 Ų | 118.4 | 43% | 0.429 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.4 | -39 | 178.1 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | L88 V89 F95 E96 | L88-T92 WeakPolarHBondContact O-CG2 3.39Å; L88-T92 PolarHBondContact O-N 3.37Å; L88-T92 PolarHBondContact O-OG1 3.44Å; V89-T92 WeakPolarHBondContact CA-OG1 3.43Å; V89-T92 PolarHBondContact O-OG1 3.34Å; V89-T92 VanDerWaalsContact O-OG1 3.12Å; T92-F95 PolarHBondContact O-N 3.13Å; T92-E96 WeakPolarHBondContact O-CB 3.1Å; T92-E96 WeakPolarHBondContact O-CG 3.43Å; T92-E96 PolarHBondContact O-N 3.2Å |
| 93 | S | 71 | Confident | 63 | Low | 48 Ų | 48 | 118.3 Ų | 118.3 | 34% | 0.336 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.5 | -35.5 | 177.4 | 79.2 | 0 | 0 | 0 | 0 | 112.5 | V89 N90 S97 | V89-S93 VanDerWaalsContact O-CB 3.27Å; V89-S93 WeakPolarHBondContact O-CB 3.37Å; V89-S93 PolarHBondContact O-N 2.8Å; V89-S93 PolarHBondContact O-OG 3.38Å; N90-S93 PolarHBondContact O-N 3.29Å; N90-S93 PolarHBondContact O-OG 3.27Å; N90-S93 VanDerWaalsContact O-OG 3.13Å; S93-S97 VanDerWaalsContact O-CB 3.23Å; S93-S97 WeakPolarHBondContact O-CB 3.37Å; S93-S97 PolarHBondContact O-N 3.46Å; S93-S97 PolarHBondContact O-OG 2.93Å |
| 94 | T | 71.7 | Confident | 63 | Low | 79 Ų | 79 | 119.7 Ų | 119.7 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.1 | -40.8 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | N90 I91 S97 M98 | N90-T94 VanDerWaalsContact O-CG2 3.27Å; N90-T94 WeakPolarHBondContact O-CG2 3.44Å; N90-T94 PolarHBondContact O-N 3.1Å; N90-T94 PolarHBondContact O-OG1 2.98Å; N90-T94 VanDerWaalsContact O-OG1 3.07Å; I91-T94 WeakPolarHBondContact CA-OG1 3.17Å; I91-T94 PolarHBondContact O-N 3.19Å; I91-T94 PolarHBondContact O-OG1 3.41Å; T94-S97 PolarHBondContact O-N 3.4Å; T94-M98 VanDerWaalsContact O-CG 3.22Å; T94-M98 WeakPolarHBondContact O-CG 3.22Å; T94-M98 PolarHBondContact O-N 3.5Å |
| 95 | F | 65.9 | Low | 62.7 | Low | 135 Ų | 135 | 124.2 Ų | 124.2 | 59% | 0.592 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.9 | -39.6 | 175.7 | -173.5 | -102.6 | 0 | 0 | 0 | 112.9 | I91 T92 M98 K99 | I91-F95 WeakPolarHBondContact O-CB 3.41Å; I91-F95 PolarHBondContact O-N 3.45Å; T92-F95 PolarHBondContact O-N 3.13Å; F95-M98 PolarHBondContact O-N 3.02Å; F95-K99 PolarHBondContact O-N 3.02Å |
| 96 | E | 70.1 | Confident | 62.1 | Low | 133 Ų | 133 | 126 Ų | 126 | 62% | 0.621 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.7 | -34.4 | 175.8 | -73.8 | 179.4 | 168.4 | 0 | 0 | 112.4 | T92 M98 K99 | T92-E96 WeakPolarHBondContact O-CB 3.1Å; T92-E96 WeakPolarHBondContact O-CG 3.43Å; T92-E96 PolarHBondContact O-N 3.2Å; E96-M98 VanDerWaalsContact C-N 3.32Å; E96-M98 PolarHBondContact O-N 3.16Å; E96-K99 PolarHBondContact O-N 3.15Å |
| 97 | S | 66 | Low | 61.3 | Low | 86 Ų | 86 | 127.9 Ų | 127.9 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.4 | -26.9 | 175.6 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | S93 T94 | S93-S97 VanDerWaalsContact O-CB 3.23Å; S93-S97 WeakPolarHBondContact O-CB 3.37Å; S93-S97 PolarHBondContact O-N 3.46Å; S93-S97 PolarHBondContact O-OG 2.93Å; T94-S97 PolarHBondContact O-N 3.4Å |
| 98 | M | 63.4 | Low | 60.3 | Low | 162 Ų | 162 | 129 Ų | 129 | 80% | 0.798 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -81.3 | -14.8 | 173.9 | -67.7 | 175.8 | 110.5 | 0 | 0 | 113.2 | T94 F95 E96 | T94-M98 VanDerWaalsContact O-CG 3.22Å; T94-M98 WeakPolarHBondContact O-CG 3.22Å; T94-M98 PolarHBondContact O-N 3.5Å; F95-M98 PolarHBondContact O-N 3.02Å; E96-M98 VanDerWaalsContact C-N 3.32Å; E96-M98 PolarHBondContact O-N 3.16Å |
| 99 | K | 64.2 | Low | 59.9 | Low | 161 Ų | 161 | 132 Ų | 132 | 70% | 0.7 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -89.5 | -7.6 | -176.4 | -163.5 | 167.6 | -178.4 | 176.7 | 0 | 113.7 | F95 E96 | F95-K99 PolarHBondContact O-N 3.02Å; E96-K99 PolarHBondContact O-N 3.15Å |
| 100 | T | 51.9 | Low | 59.1 | Low | 100 Ų | 100 | 139.5 Ų | 139.5 | 61% | 0.613 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -117.6 | 116.1 | -179.8 | 57.9 | 0 | 0 | 0 | 0 | 110 | ||
| 101 | K | 53.5 | Low | 58.4 | Low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 87.5 | 63.6 | 179.5 | -52.3 | 172 | -179.1 | 175.1 | 0 | 115.9 | ||
| 102 | E | 53.9 | Low | 57.9 | Low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | trans | -154.8 | 114.1 | 133.3 | -109.9 | 172.9 | -165.3 | 0 | 0 | 107.4 | I104 | E102-I104 PolarHBondContact O-N 3.38Š| ||
| 103 | E | 47.6 | Very low | 57.1 | Low | 200 Ų | 200 | 144.8 Ų | 144.8 | 94% | 0.935 | 74% | 0.735 | S | S | * | * | trans | -64.7 | 94.9 | 178.7 | -66.5 | 174.8 | 161.9 | 0 | 0 | 108.8 | ||||
| 104 | I | 51.9 | Low | 56.7 | Low | 155 Ų | 155 | 146.4 Ų | 146.4 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.9 | 169.5 | -59.4 | 172.7 | 0 | 0 | 0 | 107 | E102 | E102-I104 PolarHBondContact O-N 3.38Š|
| 105 | P | 45.9 | Very low | 56.2 | Low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 139 | -174 | 25.3 | -32.4 | 0 | 0 | 0 | 111.3 | ||
| 106 | E | 54.2 | Low | 55.9 | Low | 171 Ų | 171 | 146.6 Ų | 146.6 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -49.2 | 134.6 | 177.2 | -77.6 | -177.2 | 110.1 | 0 | 0 | 113.3 | S108 | E106-S108 PolarHBondContact O-N 2.87Š|
| 107 | K | 49 | Very low | 55.4 | Low | 180 Ų | 180 | 143.5 Ų | 143.5 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | 39.7 | 79.8 | 146.7 | -65.5 | 170.5 | -178.5 | 163.6 | 0 | 115.7 | E109 | K107-E109 PolarHBondContact O-N 3.35Š| ||
| 108 | S | 43.1 | Very low | 55.6 | Low | 122 Ų | 122 | 149.2 Ų | 149.2 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -73.6 | 100.4 | 158.5 | 63.2 | 0 | 0 | 0 | 0 | 109.1 | E106 | E106-S108 PolarHBondContact O-N 2.87Š| ||
| 109 | E | 52.5 | Low | 56.2 | Low | 176 Ų | 176 | 147.5 Ų | 147.5 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -49.7 | 138.7 | 170 | -65 | 176.1 | 153.7 | 0 | 0 | 111.1 | K107 T111 | K107-E109 PolarHBondContact O-N 3.35Å; E109-T111 PolarHBondContact O-N 3.24Å | ||
| 110 | R | 53.2 | Low | 56.9 | Low | 247 Ų | 247 | 147.1 Ų | 147.1 | 93% | 0.932 | 73% | 0.734 | S | S | * | * | trans | -50.1 | 110.2 | 176.1 | -173.7 | 177.1 | -172.8 | 159.3 | 0.7 | 109.6 | P112 | R110-P112 WeakPolarHBondContact O-CD 3.28Š| ||
| 111 | T | 56.6 | Low | 58.1 | Low | 123 Ų | 123 | 150.3 Ų | 150.3 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 119.3 | 179.2 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | E109 | E109-T111 PolarHBondContact O-N 3.24Š|
| 112 | P | 57.6 | Low | 59.4 | Low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 137.5 | 175.7 | 24.6 | -30.3 | 0 | 0 | 0 | 109.7 | R110 T114 | R110-P112 WeakPolarHBondContact O-CD 3.28Å; P112-T114 PolarHBondContact O-N 3.42Å |
| 113 | L | 55.8 | Low | 60.8 | Low | 148 Ų | 148 | 140.1 Ų | 140.1 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 124.5 | 178.4 | -104 | 72.9 | 0 | 0 | 0 | 109.9 | D117 | L113-D117 HydrophobicContact CB-CB 4.32Å; L113-D117 HydrophobicContact CD2-CB 3.84Å; L113-D117 HydrophobicContact CG-CB 4Å |
| 114 | T | 62.7 | Low | 62.6 | Low | 81 Ų | 81 | 137.1 Ų | 137.1 | 50% | 0.497 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 155 | -178.6 | 65.8 | 0 | 0 | 0 | 0 | 109.8 | P112 V116 D117 | P112-T114 PolarHBondContact O-N 3.42Å; T114-V116 PolarHBondContact O-N 3.05Å; T114-D117 PolarHBondContact N-OD2 2.96Å; T114-D117 WeakPolarHBondContact O-CB 3.22Å; T114-D117 PolarHBondContact O-N 3.05Å; T114-D117 PolarHBondContact OG1-OD2 3.46Å; T114-D117 VanDerWaalsContact OG1-OD2 3.08Å |
| 115 | V | 60.7 | Low | 64.2 | Low | 114 Ų | 114 | 135.1 Ų | 135.1 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -52.6 | -25.9 | 177.7 | 177 | 0 | 0 | 0 | 0 | 112.2 | D117 R118 | V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 3.34Å; V115-R118 PolarHBondContact O-N 3Å |
| 116 | V | 59.2 | Low | 66.1 | Low | 105 Ų | 105 | 135 Ų | 135 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.6 | -26 | 178.1 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | T114 | T114-V116 PolarHBondContact O-N 3.05Å |
| 117 | D | 60.3 | Low | 67.6 | Low | 67 Ų | 67 | 133.2 Ų | 133.2 | 36% | 0.358 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -80.2 | -25.7 | 177.7 | -64.3 | -51.9 | 0 | 0 | 0 | 112.7 | L113 T114 V115 Y121 | L113-D117 HydrophobicContact CB-CB 4.32Å; L113-D117 HydrophobicContact CD2-CB 3.84Å; L113-D117 HydrophobicContact CG-CB 4Å; T114-D117 PolarHBondContact N-OD2 2.96Å; T114-D117 WeakPolarHBondContact O-CB 3.22Å; T114-D117 PolarHBondContact O-N 3.05Å; T114-D117 PolarHBondContact OG1-OD2 3.46Å; T114-D117 VanDerWaalsContact OG1-OD2 3.08Å; V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 3.34Å; D117-Y121 VanDerWaalsContact O-CB 3.28Å; D117-Y121 WeakPolarHBondContact O-CB 3.43Å; D117-Y121 PolarHBondContact O-N 2.8Å |
| 118 | R | 70.6 | Confident | 69.4 | Low | 207 Ų | 207 | 132.4 Ų | 132.4 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.1 | -40.9 | -179.3 | -170.9 | 176.5 | 169.5 | 174.6 | -3.7 | 112.2 | V115 S122 | V115-R118 PolarHBondContact O-N 3Å; R118-S122 PolarHBondContact O-N 2.88Å |
| 119 | E | 75.6 | Confident | 71.5 | Confident | 126 Ų | 126 | 132 Ų | 132 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.6 | -43.4 | 176.4 | -69.2 | 175.4 | 177.5 | 0 | 0 | 111.2 | Y121 S122 Q123 | E119-Y121 VanDerWaalsContact C-N 3.34Å; E119-Y121 PolarHBondContact O-N 3.21Å; E119-S122 PolarHBondContact O-N 2.88Å; E119-Q123 WeakPolarHBondContact O-CG 3.46Å; E119-Q123 PolarHBondContact O-N 3.44Å |
| 120 | R | 79.1 | Confident | 73.2 | Confident | 152 Ų | 152 | 127.9 Ų | 127.9 | 57% | 0.574 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.4 | -43.6 | 176.6 | -165.1 | 172.2 | -171.1 | -176.6 | 1 | 111 | Q123 Y124 | R120-Q123 PolarHBondContact O-N 3.45Å; R120-Y124 HydrophobicContact CG-CD2 3.94Å; R120-Y124 HydrophobicContact CG-CE2 3.65Å; R120-Y124 WeakPolarHBondContact O-CD2 3.26Å; R120-Y124 PolarHBondContact O-N 3.46Å; R120-Y124 VanDerWaalsContact O-N 3.09Å |
| 121 | Y | 76.7 | Confident | 74.9 | Confident | 168 Ų | 168 | 120.7 Ų | 120.7 | 66% | 0.659 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.7 | -42.2 | 174.9 | -173.8 | -97.8 | 0 | 0 | 0 | 112.4 | D117 E119 Q123 Y124 K125 | D117-Y121 VanDerWaalsContact O-CB 3.28Å; D117-Y121 WeakPolarHBondContact O-CB 3.43Å; D117-Y121 PolarHBondContact O-N 2.8Å; E119-Y121 VanDerWaalsContact C-N 3.34Å; E119-Y121 PolarHBondContact O-N 3.21Å; Y121-Q123 PolarHBondContact O-N 2.81Å; Y121-Y124 PolarHBondContact O-N 3.07Å; Y121-K125 WeakPolarHBondContact O-CB 3.13Å; Y121-K125 PolarHBondContact O-N 3.28Å |
| 122 | S | 81.9 | Confident | 76.3 | Confident | 59 Ų | 59 | 122.3 Ų | 122.3 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.9 | -41.7 | 176.1 | -167.5 | 0 | 0 | 0 | 0 | 112.8 | R118 E119 K125 Q126 | R118-S122 PolarHBondContact O-N 2.88Å; E119-S122 PolarHBondContact O-N 2.88Å; S122-K125 PolarHBondContact O-N 3.19Å; S122-Q126 WeakPolarHBondContact O-CG 3.23Å; S122-Q126 PolarHBondContact O-N 2.82Å |
| 123 | Q | 83 | Confident | 77.7 | Confident | 109 Ų | 109 | 122.6 Ų | 122.6 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -42.6 | 177 | -70.2 | -180 | 22.1 | 0 | 0 | 112.6 | E119 R120 Y121 K127 | E119-Q123 WeakPolarHBondContact O-CG 3.46Å; E119-Q123 PolarHBondContact O-N 3.44Å; R120-Q123 PolarHBondContact O-N 3.45Å; Y121-Q123 PolarHBondContact O-N 2.81Å; Q123-K127 WeakPolarHBondContact O-CG 3.38Å; Q123-K127 PolarHBondContact O-N 2.84Å; Q123-K127 VanDerWaalsContact O-N 3.11Å |
| 124 | Y | 84.2 | Confident | 79.2 | Confident | 138 Ų | 138 | 118.8 Ų | 118.8 | 54% | 0.541 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -38.9 | 176.5 | -80.6 | -69.9 | 0 | 0 | 0 | 111.9 | R120 Y121 K127 F128 | R120-Y124 HydrophobicContact CG-CD2 3.94Å; R120-Y124 HydrophobicContact CG-CE2 3.65Å; R120-Y124 WeakPolarHBondContact O-CD2 3.26Å; R120-Y124 PolarHBondContact O-N 3.46Å; R120-Y124 VanDerWaalsContact O-N 3.09Å; Y121-Y124 PolarHBondContact O-N 3.07Å; Y124-K127 PolarHBondContact O-N 3.48Å; Y124-F128 WeakPolarHBondContact O-CB 3.46Å; Y124-F128 PolarHBondContact O-N 3.18Å |
| 125 | K | 85.4 | Confident | 80.2 | Confident | 113 Ų | 113 | 120.6 Ų | 120.6 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.5 | -47.6 | 177 | -166.8 | -176.4 | -179.8 | -151.4 | 0 | 111.9 | Y121 S122 K127 F128 E129 | Y121-K125 WeakPolarHBondContact O-CB 3.13Å; Y121-K125 PolarHBondContact O-N 3.28Å; S122-K125 PolarHBondContact O-N 3.19Å; K125-K127 PolarHBondContact O-N 3.04Å; K125-F128 PolarHBondContact O-N 2.84Å; K125-E129 VanDerWaalsContact CE-OE1 3.23Å; K125-E129 WeakPolarHBondContact CE-OE1 3.36Å; K125-E129 IonicContact NZ-OE1 3.61Å; K125-E129 PolarHBondContact O-N 2.92Å |
| 126 | Q | 87 | Confident | 81.4 | Confident | 112 Ų | 112 | 121 Ų | 121 | 52% | 0.523 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61 | -42.4 | 176.2 | -75.8 | 179.6 | -13.9 | 0 | 0 | 112.3 | S122 F128 E129 H130 | S122-Q126 WeakPolarHBondContact O-CG 3.23Å; S122-Q126 PolarHBondContact O-N 2.82Å; Q126-F128 VanDerWaalsContact C-N 3.27Å; Q126-F128 PolarHBondContact O-N 3.37Å; Q126-E129 PolarHBondContact O-N 3.08Å; Q126-H130 PolarHBondContact O-N 3.3Å; Q126-H130 VanDerWaalsContact O-N 3.11Å; Q126-H130 PolarHBondContact O-ND1 3.06Å |
| 127 | K | 84.9 | Confident | 82.6 | Confident | 135 Ų | 135 | 123 Ų | 123 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62 | -35.9 | 176.1 | -74.5 | 175.9 | -177.8 | 176.2 | 0 | 112.6 | Q123 Y124 K125 I131 | Q123-K127 WeakPolarHBondContact O-CG 3.38Å; Q123-K127 PolarHBondContact O-N 2.84Å; Q123-K127 VanDerWaalsContact O-N 3.11Å; Y124-K127 PolarHBondContact O-N 3.48Å; K125-K127 PolarHBondContact O-N 3.04Å; K127-I131 PolarHBondContact O-N 2.81Å |
| 128 | F | 87.8 | Confident | 83.7 | Confident | 162 Ų | 162 | 127.6 Ų | 127.6 | 71% | 0.711 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.2 | -41.9 | 177.8 | -168 | -93.9 | 0 | 0 | 0 | 111.7 | Y124 K125 Q126 H130 I131 | Y124-F128 WeakPolarHBondContact O-CB 3.46Å; Y124-F128 PolarHBondContact O-N 3.18Å; K125-F128 PolarHBondContact O-N 2.84Å; Q126-F128 VanDerWaalsContact C-N 3.27Å; Q126-F128 PolarHBondContact O-N 3.37Å; F128-H130 VanDerWaalsContact C-N 3.34Å; F128-H130 PolarHBondContact O-N 3.15Å; F128-I131 VanDerWaalsContact O-CG2 3.26Å; F128-I131 WeakPolarHBondContact O-CG2 3.43Å; F128-I131 PolarHBondContact O-N 3.29Å |
| 129 | E | 87.7 | Confident | 84.1 | Confident | 114 Ų | 114 | 126.6 Ų | 126.6 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.6 | -37.4 | 176.7 | -73.5 | 172 | -179.7 | 0 | 0 | 112.3 | K125 Q126 | K125-E129 VanDerWaalsContact CE-OE1 3.23Å; K125-E129 WeakPolarHBondContact CE-OE1 3.36Å; K125-E129 IonicContact NZ-OE1 3.61Å; K125-E129 PolarHBondContact O-N 2.92Å; Q126-E129 PolarHBondContact O-N 3.08Å |
| 130 | H | 88.2 | Confident | 83.9 | Confident | 90 Ų | 90 | 125.3 Ų | 125.3 | 42% | 0.417 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | 8.5 | -177.7 | -60.6 | 77.8 | 0 | 0 | 0 | 114.4 | Q126 F128 Q132 E133 T134 | Q126-H130 PolarHBondContact O-N 3.3Å; Q126-H130 VanDerWaalsContact O-N 3.11Å; Q126-H130 PolarHBondContact O-ND1 3.06Å; F128-H130 VanDerWaalsContact C-N 3.34Å; F128-H130 PolarHBondContact O-N 3.15Å; H130-Q132 PolarHBondContact O-N 3.38Å; H130-E133 IonicContact CD2-OE2 2.79Å; H130-E133 PolarHBondContact CD2-OE2 2.89Å; H130-T134 WeakPolarHBondContact O-CB 3.16Å; H130-T134 PolarHBondContact O-N 3.49Å; H130-T134 PolarHBondContact O-OG1 3.19Å |
| 131 | I | 88.1 | Confident | 83.3 | Confident | 95 Ų | 95 | 122 Ų | 122 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -37.5 | -174.9 | -159.3 | 167.3 | 0 | 0 | 0 | 112 | K127 F128 T134 M135 | K127-I131 PolarHBondContact O-N 2.81Å; F128-I131 VanDerWaalsContact O-CG2 3.26Å; F128-I131 WeakPolarHBondContact O-CG2 3.43Å; F128-I131 PolarHBondContact O-N 3.29Å; I131-T134 PolarHBondContact O-N 3.37Å; I131-M135 VanDerWaalsContact O-CG 3.23Å; I131-M135 WeakPolarHBondContact O-CG 3.34Å; I131-M135 PolarHBondContact O-N 3.43Å; I131-M135 VanDerWaalsContact O-N 3.08Å |
| 132 | Q | 86.3 | Confident | 82.7 | Confident | 157 Ų | 157 | 120.1 Ų | 120.1 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67 | -48.4 | 178 | -72.7 | -175.9 | -23.7 | 0 | 0 | 111.3 | H130 T134 M135 E136 | H130-Q132 PolarHBondContact O-N 3.38Å; Q132-T134 VanDerWaalsContact C-N 3.3Å; Q132-T134 PolarHBondContact O-N 3.1Å; Q132-M135 PolarHBondContact O-N 3.45Å; Q132-M135 VanDerWaalsContact O-N 3.16Å; Q132-E136 WeakPolarHBondContact O-CB 3.38Å; Q132-E136 PolarHBondContact O-N 3.21Å |
| 133 | E | 86.9 | Confident | 81.6 | Confident | 122 Ų | 122 | 121.1 Ų | 121.1 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.4 | -38.5 | 176.1 | -69.3 | -177.8 | 168.5 | 0 | 0 | 112.3 | H130 M135 E136 K137 | H130-E133 IonicContact CD2-OE2 2.79Å; H130-E133 PolarHBondContact CD2-OE2 2.89Å; E133-M135 VanDerWaalsContact C-N 3.34Å; E133-M135 PolarHBondContact O-N 2.81Å; E133-E136 PolarHBondContact O-N 3.18Å; E133-K137 VanDerWaalsContact O-CB 3.27Å; E133-K137 WeakPolarHBondContact O-CB 3.44Å; E133-K137 PolarHBondContact O-N 3.41Å |
| 134 | T | 86.8 | Confident | 80.3 | Confident | 69 Ų | 69 | 121.6 Ų | 121.6 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | H130 I131 Q132 R138 | H130-T134 WeakPolarHBondContact O-CB 3.16Å; H130-T134 PolarHBondContact O-N 3.49Å; H130-T134 PolarHBondContact O-OG1 3.19Å; I131-T134 PolarHBondContact O-N 3.37Å; Q132-T134 VanDerWaalsContact C-N 3.3Å; Q132-T134 PolarHBondContact O-N 3.1Å; T134-R138 PolarHBondContact O-N 3.01Å; T134-R138 VanDerWaalsContact O-N 3.11Å |
| 135 | M | 84.6 | Confident | 78.9 | Confident | 119 Ų | 119 | 122.9 Ų | 122.9 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.3 | -41.1 | 175.9 | -71 | -67.5 | -74.7 | 0 | 0 | 111.4 | I131 Q132 E133 R138 R139 | I131-M135 VanDerWaalsContact O-CG 3.23Å; I131-M135 WeakPolarHBondContact O-CG 3.34Å; I131-M135 PolarHBondContact O-N 3.43Å; I131-M135 VanDerWaalsContact O-N 3.08Å; Q132-M135 PolarHBondContact O-N 3.45Å; Q132-M135 VanDerWaalsContact O-N 3.16Å; E133-M135 VanDerWaalsContact C-N 3.34Å; E133-M135 PolarHBondContact O-N 2.81Å; M135-R138 PolarHBondContact O-N 2.96Å; M135-R139 WeakPolarHBondContact O-CB 3.48Å; M135-R139 PolarHBondContact O-N 3.39Å |
| 136 | E | 85.3 | Confident | 77.4 | Confident | 122 Ų | 122 | 125.2 Ų | 125.2 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.8 | -40.5 | 178 | -168.8 | 159.6 | -150.3 | 0 | 0 | 112.1 | Q132 E133 R138 R139 M140 | Q132-E136 WeakPolarHBondContact O-CB 3.38Å; Q132-E136 PolarHBondContact O-N 3.21Å; E133-E136 PolarHBondContact O-N 3.18Å; E136-R138 VanDerWaalsContact C-N 3.33Å; E136-R138 PolarHBondContact O-N 2.89Å; E136-R139 CarbonylContact O-C 3.55Å; E136-R139 WeakPolarHBondContact O-CA 3.46Å; E136-R139 WeakPolarHBondContact O-CB 3.37Å; E136-R139 PolarHBondContact O-N 3.31Å; E136-R139 VanDerWaalsContact O-N 3.09Å; E136-M140 WeakPolarHBondContact O-CG 3.07Å; E136-M140 PolarHBondContact O-N 3.35Å |
| 137 | K | 84.7 | Confident | 75.8 | Confident | 148 Ų | 148 | 125.1 Ų | 125.1 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.1 | -41.4 | 172.5 | -169.7 | 173.4 | -176 | 174.5 | 0 | 111.7 | E133 S141 | E133-K137 VanDerWaalsContact O-CB 3.27Å; E133-K137 WeakPolarHBondContact O-CB 3.44Å; E133-K137 PolarHBondContact O-N 3.41Å; K137-S141 WeakPolarHBondContact O-CB 3.49Å; K137-S141 PolarHBondContact O-N 3.01Å; K137-S141 PolarHBondContact O-OG 2.89Å |
| 138 | R | 82.2 | Confident | 74.4 | Confident | 163 Ų | 163 | 124.6 Ų | 124.6 | 62% | 0.615 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.4 | -41.2 | 171.8 | -82.8 | -175 | -164.9 | 163.1 | 5.3 | 112.1 | T134 M135 E136 S141 L142 | T134-R138 PolarHBondContact O-N 3.01Å; T134-R138 VanDerWaalsContact O-N 3.11Å; M135-R138 PolarHBondContact O-N 2.96Å; E136-R138 VanDerWaalsContact C-N 3.33Å; E136-R138 PolarHBondContact O-N 2.89Å; R138-S141 WeakPolarHBondContact O-CB 3.41Å; R138-S141 PolarHBondContact O-N 3.18Å; R138-L142 WeakPolarHBondContact O-CG 3.28Å; R138-L142 PolarHBondContact O-N 3.23Å; R138-L142 VanDerWaalsContact O-N 3.12Å |
| 139 | R | 80.3 | Confident | 72.6 | Confident | 185 Ų | 185 | 125 Ų | 125 | 70% | 0.698 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.4 | -47.6 | 176.8 | -166.4 | 178.1 | -169.9 | 160.2 | 2.7 | 111.1 | M135 E136 S141 L142 T143 | M135-R139 WeakPolarHBondContact O-CB 3.48Å; M135-R139 PolarHBondContact O-N 3.39Å; E136-R139 CarbonylContact O-C 3.55Å; E136-R139 WeakPolarHBondContact O-CA 3.46Å; E136-R139 WeakPolarHBondContact O-CB 3.37Å; E136-R139 PolarHBondContact O-N 3.31Å; E136-R139 VanDerWaalsContact O-N 3.09Å; R139-S141 VanDerWaalsContact C-N 3.29Å; R139-S141 PolarHBondContact O-N 2.89Å; R139-L142 WeakPolarHBondContact O-CA 3.37Å; R139-L142 WeakPolarHBondContact O-CB 3.37Å; R139-L142 PolarHBondContact O-N 2.67Å; R139-T143 WeakPolarHBondContact O-CG2 3.41Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 PolarHBondContact O-OG1 3.3Å |
| 140 | M | 70.2 | Confident | 70.7 | Confident | 100 Ų | 100 | 121.8 Ų | 121.8 | 49% | 0.493 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.6 | -36.1 | 175.2 | -70.1 | -164.4 | -63 | 0 | 0 | 112.5 | E136 L142 T143 N144 | E136-M140 WeakPolarHBondContact O-CG 3.07Å; E136-M140 PolarHBondContact O-N 3.35Å; M140-L142 PolarHBondContact O-N 3.2Å; M140-T143 WeakPolarHBondContact CA-OG1 3.03Å; M140-T143 PolarHBondContact O-N 2.96Å; M140-T143 PolarHBondContact O-OG1 3.4Å; M140-N144 VanDerWaalsContact O-CB 3.23Å; M140-N144 WeakPolarHBondContact O-CB 3.36Å; M140-N144 PolarHBondContact O-N 2.96Å; M140-N144 PolarHBondContact O-ND2 3.25Å; M140-N144 PolarHBondContact O-OD1 3.01Å |
| 141 | S | 68.2 | Low | 69 | Low | 81 Ų | 81 | 122.7 Ų | 122.7 | 57% | 0.566 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.6 | -29.5 | 174.3 | -50.6 | 0 | 0 | 0 | 0 | 112.6 | K137 R138 R139 | K137-S141 WeakPolarHBondContact O-CB 3.49Å; K137-S141 PolarHBondContact O-N 3.01Å; K137-S141 PolarHBondContact O-OG 2.89Å; R138-S141 WeakPolarHBondContact O-CB 3.41Å; R138-S141 PolarHBondContact O-N 3.18Å; R139-S141 VanDerWaalsContact C-N 3.29Å; R139-S141 PolarHBondContact O-N 2.89Å |
| 142 | L | 62.9 | Low | 67.6 | Low | 130 Ų | 130 | 119.7 Ų | 119.7 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -84.3 | -31.7 | 177.1 | -67.4 | 167 | 0 | 0 | 0 | 112.1 | R138 R139 M140 | R138-L142 WeakPolarHBondContact O-CG 3.28Å; R138-L142 PolarHBondContact O-N 3.23Å; R138-L142 VanDerWaalsContact O-N 3.12Å; R139-L142 WeakPolarHBondContact O-CA 3.37Å; R139-L142 WeakPolarHBondContact O-CB 3.37Å; R139-L142 PolarHBondContact O-N 2.67Å; M140-L142 PolarHBondContact O-N 3.2Å |
| 143 | T | 59.6 | Low | 66.8 | Low | 80 Ų | 80 | 120.4 Ų | 120.4 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -85.5 | -23.7 | 179.3 | 59 | 0 | 0 | 0 | 0 | 113.2 | R139 M140 K145 E146 | R139-T143 WeakPolarHBondContact O-CG2 3.41Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 PolarHBondContact O-OG1 3.3Å; M140-T143 WeakPolarHBondContact CA-OG1 3.03Å; M140-T143 PolarHBondContact O-N 2.96Å; M140-T143 PolarHBondContact O-OG1 3.4Å; T143-K145 PolarHBondContact O-N 3.4Å; T143-E146 PolarHBondContact O-N 3.4Å |
| 144 | N | 55.1 | Low | 65.8 | Low | 118 Ų | 118 | 121.7 Ų | 121.7 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | trans | -72.5 | 25.5 | 171.9 | -68.3 | -14.2 | 0 | 0 | 0 | 113.7 | M140 | M140-N144 VanDerWaalsContact O-CB 3.23Å; M140-N144 WeakPolarHBondContact O-CB 3.36Å; M140-N144 PolarHBondContact O-N 2.96Å; M140-N144 PolarHBondContact O-ND2 3.25Å; M140-N144 PolarHBondContact O-OD1 3.01Å | ||
| 145 | K | 54.8 | Low | 65.2 | Low | 165 Ų | 165 | 122.6 Ų | 122.6 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | trans | -87.4 | 24.5 | 156.2 | -81.7 | 179.6 | 174.5 | 171.2 | 0 | 111.4 | T143 | T143-K145 PolarHBondContact O-N 3.4Š| ||
| 146 | E | 53.4 | Low | 64.6 | Low | 162 Ų | 162 | 122.6 Ų | 122.6 | 76% | 0.757 | 63% | 0.632 | S | S | * | * | trans | -65.9 | 127.7 | 155.4 | -68.2 | -178.3 | 169.2 | 0 | 0 | 107 | T143 | T143-E146 PolarHBondContact O-N 3.4Š| ||
| 147 | D | 53.4 | Low | 64.1 | Low | 110 Ų | 110 | 121.5 Ų | 121.5 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | trans | 77.2 | 62.6 | -168.8 | -57.2 | -23.5 | 0 | 0 | 0 | 117.1 | K149 | D147-K149 HydrophobicContact CB-CB 4.23Å; D147-K149 HydrophobicContact CB-CD 4.13Å; D147-K149 HydrophobicContact CB-CG 4Å; D147-K149 VanDerWaalsContact CG-NZ 3.28Å; D147-K149 PolarHBondContact O-N 2.95Å; D147-K149 VanDerWaalsContact OD1-CE 3.3Å; D147-K149 WeakPolarHBondContact OD1-CE 3.31Å; D147-K149 IonicContact OD1-NZ 3.78Å; D147-K149 PolarHBondContact OD1-NZ 3.16Å; D147-K149 VanDerWaalsContact OD1-NZ 3.15Å; D147-K149 IonicContact OD2-NZ 3.15Å; D147-K149 PolarHBondContact OD2-NZ 3.35Å | ||
| 148 | V | 55.3 | Low | 63.8 | Low | 125 Ų | 125 | 120 Ų | 120 | 76% | 0.758 | 63% | 0.625 | S | S | * | * | trans | -69.6 | 63.8 | 134.4 | -169.2 | 0 | 0 | 0 | 0 | 108.1 | G150 | V148-G150 PolarHBondContact O-N 2.82Å; V148-G150 VanDerWaalsContact O-N 3.1Å | ||
| 149 | K | 51.2 | Low | 63.8 | Low | 169 Ų | 169 | 115.7 Ų | 115.7 | 74% | 0.735 | 62% | 0.617 | S | S | * | * | trans | -79.1 | 76.4 | 163.7 | -83.5 | 177.5 | -177.3 | 139.1 | 0 | 106.6 | D147 | D147-K149 HydrophobicContact CB-CB 4.23Å; D147-K149 HydrophobicContact CB-CD 4.13Å; D147-K149 HydrophobicContact CB-CG 4Å; D147-K149 VanDerWaalsContact CG-NZ 3.28Å; D147-K149 PolarHBondContact O-N 2.95Å; D147-K149 VanDerWaalsContact OD1-CE 3.3Å; D147-K149 WeakPolarHBondContact OD1-CE 3.31Å; D147-K149 IonicContact OD1-NZ 3.78Å; D147-K149 PolarHBondContact OD1-NZ 3.16Å; D147-K149 VanDerWaalsContact OD1-NZ 3.15Å; D147-K149 IonicContact OD2-NZ 3.15Å; D147-K149 PolarHBondContact OD2-NZ 3.35Å | ||
| 150 | G | 46.5 | Very low | 63.9 | Low | 48 Ų | 48 | 112.7 Ų | 112.7 | 50% | 0.495 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -175.4 | 89.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V148 | V148-G150 PolarHBondContact O-N 2.82Å; V148-G150 VanDerWaalsContact O-N 3.1Å |
| 151 | A | 53.5 | Low | 64.4 | Low | 108 Ų | 108 | 111.1 Ų | 111.1 | 89% | 0.893 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 44.9 | 74.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 152 | G | 58.4 | Low | 65.2 | Low | 33 Ų | 33 | 114 Ų | 114 | 34% | 0.34 | 61% | 0.605 | S | S | . | * | trans | -164 | -47 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | E154 V155 L156 | G152-E154 PolarHBondContact O-N 2.91Å; G152-V155 PolarHBondContact O-N 3.25Å; G152-L156 WeakPolarHBondContact O-CA 3.28Å; G152-L156 WeakPolarHBondContact O-CB 3.5Å; G152-L156 PolarHBondContact O-N 3.07Å | ||
| 153 | K | 69.8 | Low | 66 | Low | 171 Ų | 171 | 115 Ų | 115 | 74% | 0.743 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.6 | -41.6 | -168.7 | -162.5 | 173.3 | -176.8 | 178.8 | 0 | 113.2 | N157 | K153-N157 WeakPolarHBondContact O-CB 3.42Å; K153-N157 PolarHBondContact O-N 3.43Å |
| 154 | E | 66.3 | Low | 66.8 | Low | 150 Ų | 150 | 115.3 Ų | 115.3 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.1 | -42.9 | 177.6 | -65.2 | 176.9 | -163.1 | 0 | 0 | 111.7 | G152 L156 N157 Q158 | G152-E154 PolarHBondContact O-N 2.91Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.35Å; E154-N157 PolarHBondContact O-N 3.03Å; E154-Q158 WeakPolarHBondContact O-CB 3.26Å; E154-Q158 WeakPolarHBondContact O-CG 3.35Å; E154-Q158 PolarHBondContact O-N 3.44Å |
| 155 | V | 72.8 | Confident | 67.9 | Low | 88 Ų | 88 | 117 Ų | 117 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.1 | -41.7 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | G152 Q158 T159 | G152-V155 PolarHBondContact O-N 3.25Å; V155-Q158 PolarHBondContact O-N 2.96Å; V155-T159 PolarHBondContact O-N 3.43Å; V155-T159 PolarHBondContact O-OG1 2.83Å |
| 156 | L | 71.7 | Confident | 68.7 | Low | 119 Ų | 119 | 114.9 Ų | 114.9 | 62% | 0.623 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.1 | -42.8 | 178.2 | -166.5 | 73.2 | 0 | 0 | 0 | 111.6 | G152 E154 T159 K160 | G152-L156 WeakPolarHBondContact O-CA 3.28Å; G152-L156 WeakPolarHBondContact O-CB 3.5Å; G152-L156 PolarHBondContact O-N 3.07Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.35Å; L156-T159 VanDerWaalsContact CA-OG1 3.25Å; L156-T159 WeakPolarHBondContact CA-OG1 3.5Å; L156-T159 PolarHBondContact O-N 3Å; L156-T159 PolarHBondContact O-OG1 2.91Å; L156-K160 WeakPolarHBondContact O-CB 3.49Å; L156-K160 PolarHBondContact O-N 2.98Å |
| 157 | N | 76.3 | Confident | 69.3 | Low | 99 Ų | 99 | 112.4 Ų | 112.4 | 53% | 0.529 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 173.7 | -86.1 | 1.8 | 0 | 0 | 0 | 111.9 | K153 E154 K160 D161 | K153-N157 WeakPolarHBondContact O-CB 3.42Å; K153-N157 PolarHBondContact O-N 3.43Å; E154-N157 PolarHBondContact O-N 3.03Å; N157-K160 PolarHBondContact O-N 2.97Å; N157-D161 WeakPolarHBondContact O-CB 3.49Å; N157-D161 PolarHBondContact O-N 2.84Å |
| 158 | Q | 78.5 | Confident | 69.9 | Low | 115 Ų | 115 | 114 Ų | 114 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.3 | -38.4 | 175.1 | -72.8 | 173 | 28 | 0 | 0 | 112.2 | E154 V155 K162 | E154-Q158 WeakPolarHBondContact O-CB 3.26Å; E154-Q158 WeakPolarHBondContact O-CG 3.35Å; E154-Q158 PolarHBondContact O-N 3.44Å; V155-Q158 PolarHBondContact O-N 2.96Å; Q158-K162 WeakPolarHBondContact O-CB 3.08Å; Q158-K162 WeakPolarHBondContact O-CG 3.22Å; Q158-K162 PolarHBondContact O-N 3.31Å |
| 159 | T | 81.3 | Confident | 70.2 | Confident | 74 Ų | 74 | 115 Ų | 115 | 45% | 0.454 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.3 | -36.3 | 173.7 | 40.3 | 0 | 0 | 0 | 0 | 112.6 | V155 L156 K162 F163 | V155-T159 PolarHBondContact O-N 3.43Å; V155-T159 PolarHBondContact O-OG1 2.83Å; L156-T159 VanDerWaalsContact CA-OG1 3.25Å; L156-T159 WeakPolarHBondContact CA-OG1 3.5Å; L156-T159 PolarHBondContact O-N 3Å; L156-T159 PolarHBondContact O-OG1 2.91Å; T159-K162 PolarHBondContact O-N 2.78Å; T159-F163 WeakPolarHBondContact O-CB 3.16Å; T159-F163 PolarHBondContact O-N 3.1Å |
| 160 | K | 83.6 | Confident | 70.5 | Confident | 121 Ų | 121 | 110.1 Ų | 110.1 | 53% | 0.526 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.3 | -47.8 | 173.8 | -178.1 | -179.4 | 170.2 | -179.6 | 0 | 110.9 | L156 N157 K162 F163 E164 | L156-K160 WeakPolarHBondContact O-CB 3.49Å; L156-K160 PolarHBondContact O-N 2.98Å; N157-K160 PolarHBondContact O-N 2.97Å; K160-K162 VanDerWaalsContact C-N 3.32Å; K160-K162 PolarHBondContact O-N 3.42Å; K160-F163 PolarHBondContact O-N 3.33Å; K160-F163 VanDerWaalsContact O-N 3.12Å; K160-E164 WeakPolarHBondContact CE-OE1 3.46Å; K160-E164 IonicContact NZ-OE1 3.41Å; K160-E164 PolarHBondContact O-N 3.21Å |
| 161 | D | 81 | Confident | 70.9 | Confident | 68 Ų | 68 | 114.7 Ų | 114.7 | 36% | 0.364 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.1 | -37.3 | 178.9 | -158.4 | 67.6 | 0 | 0 | 0 | 111.6 | N157 R165 | N157-D161 WeakPolarHBondContact O-CB 3.49Å; N157-D161 PolarHBondContact O-N 2.84Å; D161-R165 VanDerWaalsContact O-CG 3.27Å; D161-R165 WeakPolarHBondContact O-CG 3.29Å; D161-R165 PolarHBondContact O-N 3.45Å; D161-R165 IonicContact OD2-CZ 3.12Å; D161-R165 IonicContact OD2-NE 2.94Å; D161-R165 PolarHBondContact OD2-NE 3.25Å; D161-R165 IonicContact OD2-NH2 2.71Å; D161-R165 PolarHBondContact OD2-NH2 2.95Å |
| 162 | K | 83.3 | Confident | 71.1 | Confident | 141 Ų | 141 | 118 Ų | 118 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.9 | -41.7 | 171.4 | -81.4 | 177.2 | 178.6 | -178 | 0 | 112.6 | Q158 T159 K160 L166 | Q158-K162 WeakPolarHBondContact O-CB 3.08Å; Q158-K162 WeakPolarHBondContact O-CG 3.22Å; Q158-K162 PolarHBondContact O-N 3.31Å; T159-K162 PolarHBondContact O-N 2.78Å; K160-K162 VanDerWaalsContact C-N 3.32Å; K160-K162 PolarHBondContact O-N 3.42Å; K162-L166 PolarHBondContact O-N 2.81Å; K162-L166 VanDerWaalsContact O-N 3.1Å |
| 163 | F | 79.6 | Confident | 70.9 | Confident | 151 Ų | 151 | 120.8 Ų | 120.8 | 66% | 0.662 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.6 | -42.7 | 179.1 | -168.3 | -92.9 | 0 | 0 | 0 | 111.5 | T159 K160 R165 L166 N167 | T159-F163 WeakPolarHBondContact O-CB 3.16Å; T159-F163 PolarHBondContact O-N 3.1Å; K160-F163 PolarHBondContact O-N 3.33Å; K160-F163 VanDerWaalsContact O-N 3.12Å; F163-R165 PolarHBondContact O-N 3Å; F163-L166 PolarHBondContact O-N 2.69Å; F163-N167 WeakPolarHBondContact O-CB 3.36Å; F163-N167 PolarHBondContact O-N 2.98Å |
| 164 | E | 77.9 | Confident | 69.9 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 41% | 0.407 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64 | -39.1 | 176.6 | -75.1 | 176.3 | -178.5 | 0 | 0 | 112.2 | K160 N167 Q168 | K160-E164 WeakPolarHBondContact CE-OE1 3.46Å; K160-E164 IonicContact NZ-OE1 3.41Å; K160-E164 PolarHBondContact O-N 3.21Å; E164-N167 PolarHBondContact O-N 3.18Å; E164-Q168 WeakPolarHBondContact O-CG 3.28Å; E164-Q168 PolarHBondContact O-N 3.02Å; E164-Q168 VanDerWaalsContact O-N 3.1Å |
| 165 | R | 78.5 | Confident | 69.6 | Low | 153 Ų | 153 | 116.7 Ų | 116.7 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67 | -37.2 | 174.7 | -70.7 | 176.8 | -165 | -160.7 | 3.3 | 113.4 | D161 F163 N167 Q168 Q169 | D161-R165 VanDerWaalsContact O-CG 3.27Å; D161-R165 WeakPolarHBondContact O-CG 3.29Å; D161-R165 PolarHBondContact O-N 3.45Å; D161-R165 IonicContact OD2-CZ 3.12Å; D161-R165 IonicContact OD2-NE 2.94Å; D161-R165 PolarHBondContact OD2-NE 3.25Å; D161-R165 IonicContact OD2-NH2 2.71Å; D161-R165 PolarHBondContact OD2-NH2 2.95Å; F163-R165 PolarHBondContact O-N 3Å; R165-N167 VanDerWaalsContact C-N 3.34Å; R165-Q168 PolarHBondContact O-N 2.9Å; R165-Q169 WeakPolarHBondContact O-CG 3.48Å; R165-Q169 PolarHBondContact O-N 3.09Å |
| 166 | L | 69.7 | Low | 68.7 | Low | 120 Ų | 120 | 116.7 Ų | 116.7 | 63% | 0.628 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.4 | -36.5 | 175 | -97.2 | 149.7 | 0 | 0 | 0 | 111.8 | K162 F163 Q168 Q169 S170 | K162-L166 PolarHBondContact O-N 2.81Å; K162-L166 VanDerWaalsContact O-N 3.1Å; F163-L166 PolarHBondContact O-N 2.69Å; L166-Q168 VanDerWaalsContact C-N 3.34Å; L166-Q169 PolarHBondContact O-N 2.95Å; L166-S170 PolarHBondContact O-N 3.38Å |
| 167 | N | 66.5 | Low | 68.1 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.9 | -18.5 | 178 | -153.8 | 53.5 | 0 | 0 | 0 | 113.4 | F163 E164 R165 S170 | F163-N167 WeakPolarHBondContact O-CB 3.36Å; F163-N167 PolarHBondContact O-N 2.98Å; E164-N167 PolarHBondContact O-N 3.18Å; R165-N167 VanDerWaalsContact C-N 3.34Å; N167-S170 PolarHBondContact O-OG 3.26Å |
| 168 | Q | 66.7 | Low | 67.4 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -85.5 | -20.3 | 171.4 | -73.6 | 167.9 | 11 | 0 | 0 | 112.6 | E164 R165 L166 | E164-Q168 WeakPolarHBondContact O-CG 3.28Å; E164-Q168 PolarHBondContact O-N 3.02Å; E164-Q168 VanDerWaalsContact O-N 3.1Å; R165-Q168 PolarHBondContact O-N 2.9Å; L166-Q168 VanDerWaalsContact C-N 3.34Å |
| 169 | Q | 62.1 | Low | 66.9 | Low | 145 Ų | 145 | 123.4 Ų | 123.4 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -87.8 | -12.8 | 176.6 | -76.5 | 179.8 | -16.9 | 0 | 0 | 113.4 | R165 L166 D171 | R165-Q169 WeakPolarHBondContact O-CG 3.48Å; R165-Q169 PolarHBondContact O-N 3.09Å; L166-Q169 PolarHBondContact O-N 2.95Å; Q169-D171 PolarHBondContact O-N 2.85Å |
| 170 | S | 55.5 | Low | 66.1 | Low | 67 Ų | 67 | 126.5 Ų | 126.5 | 47% | 0.469 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71 | -11.4 | -178.6 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | L166 N167 | L166-S170 PolarHBondContact O-N 3.38Å; N167-S170 PolarHBondContact O-OG 3.26Å |
| 171 | D | 55.6 | Low | 65.2 | Low | 143 Ų | 143 | 127.5 Ų | 127.5 | 77% | 0.765 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -0.9 | -175.5 | -71.1 | -19.2 | 0 | 0 | 0 | 115 | Q169 | Q169-D171 PolarHBondContact O-N 2.85Š|
| 172 | Q | 58.8 | Low | 64.6 | Low | 178 Ų | 178 | 131.4 Ų | 131.4 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -121.9 | -2.7 | -172.5 | -71.2 | -176.4 | 26.5 | 0 | 0 | 117.4 | ||
| 173 | T | 53.1 | Low | 64 | Low | 92 Ų | 92 | 129.4 Ų | 129.4 | 56% | 0.564 | 68% | 0.68 | S | S | * | * | trans | -145.4 | 126.7 | 174.1 | 55.7 | 0 | 0 | 0 | 0 | 111 | V175 | T173-V175 VanDerWaalsContact C-N 3.28Å; T173-V175 PolarHBondContact O-N 3.13Å | ||
| 174 | P | 50.2 | Low | 63.6 | Low | 135 Ų | 135 | 126.1 Ų | 126.1 | 88% | 0.877 | 67% | 0.669 | S | S | * | * | trans | -70.1 | 91.6 | 170.6 | 29.9 | -30.9 | 0 | 0 | 0 | 107.7 | A176 | P174-A176 PolarHBondContact O-N 2.95Å; P174-A176 VanDerWaalsContact O-N 3.11Å | ||
| 175 | V | 58.1 | Low | 63.6 | Low | 100 Ų | 100 | 125 Ų | 125 | 61% | 0.606 | 67% | 0.671 | S | S | * | * | trans | -69.2 | 108.6 | 168.7 | -179 | 0 | 0 | 0 | 0 | 105.6 | T173 H177 | T173-V175 VanDerWaalsContact C-N 3.28Å; T173-V175 PolarHBondContact O-N 3.13Å; V175-H177 VanDerWaalsContact C-N 3.29Å; V175-H177 PolarHBondContact O-N 3.09Å | ||
| 176 | A | 55.3 | Low | 63.6 | Low | 88 Ų | 88 | 121 Ų | 121 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | trans | -58.9 | 100 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | P174 E178 | P174-A176 PolarHBondContact O-N 2.95Å; P174-A176 VanDerWaalsContact O-N 3.11Å; A176-E178 PolarHBondContact O-N 3.15Å | ||
| 177 | H | 57.9 | Low | 64.2 | Low | 163 Ų | 163 | 120.6 Ų | 120.6 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | trans | -64.1 | 96.3 | 164.3 | -77.1 | -85.1 | 0 | 0 | 0 | 105.9 | V175 I179 | V175-H177 VanDerWaalsContact C-N 3.29Å; V175-H177 PolarHBondContact O-N 3.09Å; H177-I179 VanDerWaalsContact C-N 3.32Å; H177-I179 PolarHBondContact O-N 2.82Å | ||
| 178 | E | 63.1 | Low | 65 | Low | 169 Ų | 169 | 118.7 Ų | 118.7 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | trans | -57.7 | 105.5 | 160.4 | -75.8 | -173.6 | 166 | 0 | 0 | 105.9 | A176 L180 | A176-E178 PolarHBondContact O-N 3.15Å; E178-L180 VanDerWaalsContact C-N 3.27Å; E178-L180 PolarHBondContact O-N 3.49Å | ||
| 179 | I | 68.1 | Low | 65.6 | Low | 142 Ų | 142 | 117.6 Ų | 117.6 | 73% | 0.728 | 65% | 0.652 | S | S | * | * | trans | -63.8 | 98.4 | 170.2 | -60.1 | 173.1 | 0 | 0 | 0 | 105 | H177 D181 | H177-I179 VanDerWaalsContact C-N 3.32Å; H177-I179 PolarHBondContact O-N 2.82Å; I179-D181 VanDerWaalsContact C-N 3.31Å; I179-D181 PolarHBondContact O-N 2.89Å | ||
| 180 | L | 63.8 | Low | 66.5 | Low | 139 Ų | 139 | 116.4 Ų | 116.4 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | trans | -67.6 | 98.9 | 164.4 | -66.8 | 175.5 | 0 | 0 | 0 | 106 | E178 I182 | E178-L180 VanDerWaalsContact C-N 3.27Å; E178-L180 PolarHBondContact O-N 3.49Å; L180-I182 PolarHBondContact O-N 3.39Å | ||
| 181 | D | 63.4 | Low | 67.9 | Low | 141 Ų | 141 | 121.4 Ų | 121.4 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | trans | -64.7 | 86.4 | 169.6 | -90 | -21.8 | 0 | 0 | 0 | 108.4 | I179 S183 | I179-D181 VanDerWaalsContact C-N 3.31Å; I179-D181 PolarHBondContact O-N 2.89Å; D181-S183 PolarHBondContact O-N 3.35Å | ||
| 182 | I | 69.1 | Low | 68.9 | Low | 150 Ų | 150 | 118.1 Ų | 118.1 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | trans | -70.3 | 78.2 | 166.9 | -55.3 | 170.4 | 0 | 0 | 0 | 106.3 | L180 L184 | L180-I182 PolarHBondContact O-N 3.39Å; I182-L184 PolarHBondContact O-N 3.32Å; I182-L184 VanDerWaalsContact O-N 3.12Å | ||
| 183 | S | 71 | Confident | 69.9 | Low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 63% | 0.63 | S | S | * | * | trans | -69.8 | 105 | 168 | 50 | 0 | 0 | 0 | 0 | 107.5 | D181 S185 | D181-S183 PolarHBondContact O-N 3.35Å; S183-S185 PolarHBondContact O-N 3.34Å | ||
| 184 | L | 71.3 | Confident | 70.9 | Confident | 81 Ų | 81 | 118.9 Ų | 118.9 | 42% | 0.424 | 63% | 0.631 | S | S | . | * | trans | -51.2 | 128.5 | 166.9 | -77.1 | 138.3 | 0 | 0 | 0 | 108.5 | I182 D188 K189 I192 | I182-L184 PolarHBondContact O-N 3.32Å; I182-L184 VanDerWaalsContact O-N 3.12Å; L184-D188 HydrophobicContact CB-CB 4.27Å; L184-D188 HydrophobicContact CD2-CB 3.72Å; L184-K189 HydrophobicContact CB-CG 3.76Å; L184-K189 WeakPolarHBondContact O-CE 3.31Å; L184-I192 HydrophobicContact CD1-CD1 4.43Å; L184-I192 HydrophobicContact CD2-CD1 3.58Å | ||
| 185 | S | 77.1 | Confident | 71.9 | Confident | 64 Ų | 64 | 116.9 Ų | 116.9 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | trans | -53.9 | 151.5 | 174 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | S183 D187 D188 K189 | S183-S185 PolarHBondContact O-N 3.34Å; S185-D187 PolarHBondContact O-N 3.17Å; S185-D187 VanDerWaalsContact O-N 3.08Å; S185-D188 PolarHBondContact O-N 3.35Å; S185-K189 PolarHBondContact O-N 3.47Å | ||
| 186 | A | 79.5 | Confident | 72.3 | Confident | 69 Ų | 69 | 120.7 Ų | 120.7 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -52.8 | -34.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K189 Q190 | A186-K189 PolarHBondContact O-N 3.4Å; A186-Q190 PolarHBondContact O-N 3.04Å; A186-Q190 VanDerWaalsContact O-N 3.1Å |
| 187 | D | 82.9 | Confident | 72.5 | Confident | 111 Ų | 111 | 119 Ų | 119 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.6 | -39.6 | 178.3 | -52.8 | -35.5 | 0 | 0 | 0 | 112.4 | S185 K189 Q190 R191 | S185-D187 PolarHBondContact O-N 3.17Å; S185-D187 VanDerWaalsContact O-N 3.08Å; D187-K189 VanDerWaalsContact C-N 3.34Å; D187-Q190 PolarHBondContact O-N 3.43Å; D187-R191 WeakPolarHBondContact O-CB 3.04Å; D187-R191 PolarHBondContact O-N 3.44Å |
| 188 | D | 82.5 | Confident | 72.2 | Confident | 71 Ų | 71 | 119.8 Ų | 119.8 | 38% | 0.38 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.1 | -38.2 | 175.7 | -72 | -33.5 | 0 | 0 | 0 | 111 | L184 S185 Q190 R191 I192 | L184-D188 HydrophobicContact CB-CB 4.27Å; L184-D188 HydrophobicContact CD2-CB 3.72Å; S185-D188 PolarHBondContact O-N 3.35Å; D188-Q190 VanDerWaalsContact C-N 3.31Å; D188-Q190 PolarHBondContact O-N 3.11Å; D188-R191 PolarHBondContact O-N 3.03Å; D188-I192 WeakPolarHBondContact O-CB 3.32Å; D188-I192 WeakPolarHBondContact O-CD1 3.17Å; D188-I192 WeakPolarHBondContact O-CG1 3.44Å; D188-I192 PolarHBondContact O-N 3.39Å |
| 189 | K | 79.4 | Confident | 71.7 | Confident | 122 Ų | 122 | 118.7 Ų | 118.7 | 53% | 0.53 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.7 | -40.1 | 174.2 | -67.9 | 179.9 | 179.3 | 174.7 | 0 | 111.5 | L184 S185 A186 D187 K193 | L184-K189 HydrophobicContact CB-CG 3.76Å; L184-K189 WeakPolarHBondContact O-CE 3.31Å; S185-K189 PolarHBondContact O-N 3.47Å; A186-K189 PolarHBondContact O-N 3.4Å; D187-K189 VanDerWaalsContact C-N 3.34Å; K189-K193 VanDerWaalsContact O-CB 3.28Å; K189-K193 WeakPolarHBondContact O-CB 3.39Å; K189-K193 PolarHBondContact O-N 3.39Å; K189-K193 VanDerWaalsContact O-N 3.1Å |
| 190 | Q | 81.5 | Confident | 70.7 | Confident | 119 Ų | 119 | 120.1 Ų | 120.1 | 56% | 0.556 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.1 | -48.3 | 176 | -77.9 | -179.7 | -16.4 | 0 | 0 | 111.6 | A186 D187 D188 I192 K193 E194 | A186-Q190 PolarHBondContact O-N 3.04Å; A186-Q190 VanDerWaalsContact O-N 3.1Å; D187-Q190 PolarHBondContact O-N 3.43Å; D188-Q190 VanDerWaalsContact C-N 3.31Å; D188-Q190 PolarHBondContact O-N 3.11Å; Q190-I192 PolarHBondContact O-N 2.98Å; Q190-K193 CarbonylContact O-C 3.58Å; Q190-K193 WeakPolarHBondContact O-CA 3.18Å; Q190-K193 WeakPolarHBondContact O-CB 3.29Å; Q190-K193 PolarHBondContact O-N 3.17Å; Q190-E194 WeakPolarHBondContact O-CG 3.19Å; Q190-E194 PolarHBondContact O-N 3Å |
| 191 | R | 83.4 | Confident | 69.8 | Low | 172 Ų | 172 | 115.7 Ų | 115.7 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -59.7 | -43.6 | 179.2 | -172.8 | 177 | 168.3 | -161.3 | -3.2 | 112.3 | D187 D188 K193 E194 T195 | D187-R191 WeakPolarHBondContact O-CB 3.04Å; D187-R191 PolarHBondContact O-N 3.44Å; D188-R191 PolarHBondContact O-N 3.03Å; R191-K193 VanDerWaalsContact C-N 3.35Å; R191-E194 PolarHBondContact O-N 3.19Å; R191-T195 VanDerWaalsContact O-CG2 3.27Å; R191-T195 WeakPolarHBondContact O-CG2 3.43Å; R191-T195 PolarHBondContact O-N 3.42Å; R191-T195 PolarHBondContact O-OG1 2.57Å; R191-T195 VanDerWaalsContact O-OG1 3.06Å |
| 192 | I | 78.4 | Confident | 69.1 | Low | 74 Ų | 74 | 113 Ų | 113 | 38% | 0.379 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.7 | -47.3 | 174.1 | -68.5 | 166.4 | 0 | 0 | 0 | 109.7 | L184 D188 Q190 E194 T195 F196 | L184-I192 HydrophobicContact CD1-CD1 4.43Å; L184-I192 HydrophobicContact CD2-CD1 3.58Å; D188-I192 WeakPolarHBondContact O-CB 3.32Å; D188-I192 WeakPolarHBondContact O-CD1 3.17Å; D188-I192 WeakPolarHBondContact O-CG1 3.44Å; D188-I192 PolarHBondContact O-N 3.39Å; Q190-I192 PolarHBondContact O-N 2.98Å; I192-E194 VanDerWaalsContact C-N 3.28Å; I192-E194 PolarHBondContact O-N 3.35Å; I192-T195 WeakPolarHBondContact CA-OG1 3.25Å; I192-T195 PolarHBondContact O-N 2.75Å; I192-T195 PolarHBondContact O-OG1 2.74Å; I192-F196 HydrophobicContact CG2-CD2 3.82Å; I192-F196 HydrophobicContact CG2-CE2 3.97Å; I192-F196 WeakPolarHBondContact O-CD2 3.38Å; I192-F196 PolarHBondContact O-N 3.01Å; I192-F196 VanDerWaalsContact O-N 3.12Å |
| 193 | K | 78.4 | Confident | 68.3 | Low | 163 Ų | 163 | 109.8 Ų | 109.8 | 71% | 0.709 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.2 | -34.4 | 179.9 | -162.3 | 176.6 | -163.7 | -176.6 | 0 | 113.2 | K189 Q190 R191 G197 | K189-K193 VanDerWaalsContact O-CB 3.28Å; K189-K193 WeakPolarHBondContact O-CB 3.39Å; K189-K193 PolarHBondContact O-N 3.39Å; K189-K193 VanDerWaalsContact O-N 3.1Å; Q190-K193 CarbonylContact O-C 3.58Å; Q190-K193 WeakPolarHBondContact O-CA 3.18Å; Q190-K193 WeakPolarHBondContact O-CB 3.29Å; Q190-K193 PolarHBondContact O-N 3.17Å; R191-K193 VanDerWaalsContact C-N 3.35Å; K193-G197 WeakPolarHBondContact O-CA 3.38Å; K193-G197 PolarHBondContact O-N 2.94Å |
| 194 | E | 75 | Confident | 68 | Low | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.1 | -44.7 | 176.9 | -71.6 | 167.4 | -172.3 | 0 | 0 | 111.3 | Q190 R191 I192 F196 G197 | Q190-E194 WeakPolarHBondContact O-CG 3.19Å; Q190-E194 PolarHBondContact O-N 3Å; R191-E194 PolarHBondContact O-N 3.19Å; I192-E194 VanDerWaalsContact C-N 3.28Å; I192-E194 PolarHBondContact O-N 3.35Å; E194-F196 PolarHBondContact O-N 3.06Å; E194-G197 PolarHBondContact O-N 3.03Å |
| 195 | T | 71.2 | Confident | 67.9 | Low | 93 Ų | 93 | 115.7 Ų | 115.7 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.5 | -26 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 114 | R191 I192 | R191-T195 VanDerWaalsContact O-CG2 3.27Å; R191-T195 WeakPolarHBondContact O-CG2 3.43Å; R191-T195 PolarHBondContact O-N 3.42Å; R191-T195 PolarHBondContact O-OG1 2.57Å; R191-T195 VanDerWaalsContact O-OG1 3.06Å; I192-T195 WeakPolarHBondContact CA-OG1 3.25Å; I192-T195 PolarHBondContact O-N 2.75Å; I192-T195 PolarHBondContact O-OG1 2.74Å |
| 196 | F | 65.4 | Low | 68.2 | Low | 180 Ų | 180 | 113.5 Ų | 113.5 | 79% | 0.789 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 2.8 | 173.1 | -62.8 | -70.8 | 0 | 0 | 0 | 112.9 | I192 E194 | I192-F196 HydrophobicContact CG2-CD2 3.82Å; I192-F196 HydrophobicContact CG2-CE2 3.97Å; I192-F196 WeakPolarHBondContact O-CD2 3.38Å; I192-F196 PolarHBondContact O-N 3.01Å; I192-F196 VanDerWaalsContact O-N 3.12Å; E194-F196 PolarHBondContact O-N 3.06Å |
| 197 | G | 59.9 | Low | 68.8 | Low | 53 Ų | 53 | 114.6 Ų | 114.6 | 55% | 0.546 | 60% | 0.599 | S | S | . | * | trans | -95.8 | -0.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K193 E194 | K193-G197 WeakPolarHBondContact O-CA 3.38Å; K193-G197 PolarHBondContact O-N 2.94Å; E194-G197 PolarHBondContact O-N 3.03Å | ||
| 198 | E | 51.3 | Low | 69.3 | Low | 179 Ų | 179 | 109.4 Ų | 109.4 | 84% | 0.836 | 57% | 0.572 | S | S | * | * | trans | -109.3 | 71.6 | -177.1 | -62.9 | -173.9 | 133.4 | 0 | 0 | 111 | ||||
| 199 | D | 53.9 | Low | 69.7 | Low | 147 Ų | 147 | 108.8 Ų | 108.8 | 79% | 0.786 | 58% | 0.577 | S | S | * | * | trans | -143.7 | 128 | 140.5 | -152.8 | -2.7 | 0 | 0 | 0 | 110.2 | G201 | D199-G201 PolarHBondContact O-N 3.33Š| ||
| 200 | N | 46 | Very low | 70.3 | Confident | 171 Ų | 171 | 107 Ų | 107 | 91% | 0.914 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -73.2 | 96.2 | 177.3 | -82.3 | -69 | 0 | 0 | 0 | 108.8 | ||
| 201 | G | 45.9 | Very low | 70.8 | Confident | 46 Ų | 46 | 103.5 Ų | 103.5 | 47% | 0.474 | 56% | 0.56 | S | S | . | * | S | Bend | trans | 163.1 | 109.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | D199 G203 | D199-G201 PolarHBondContact O-N 3.33Å; G201-G203 PolarHBondContact O-N 2.76Å |
| 202 | S | 47.4 | Very low | 71.2 | Confident | 85 Ų | 85 | 97.8 Ų | 97.8 | 59% | 0.594 | 56% | 0.555 | S | S | * | * | trans | -25.4 | 133.6 | 175.8 | 14.7 | 0 | 0 | 0 | 0 | 111.6 | E204 | S202-E204 WeakPolarHBondContact O-CA 3.36Å; S202-E204 WeakPolarHBondContact O-CB 3.4Å; S202-E204 WeakPolarHBondContact O-CG 3.37Å; S202-E204 PolarHBondContact O-N 3.11Å; S202-E204 VanDerWaalsContact OG-CG 3.22Å; S202-E204 WeakPolarHBondContact OG-CG 3.45Å; S202-E204 PolarHBondContact OG-OE1 3.44Å | ||
| 203 | G | 53.1 | Low | 71.9 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 85% | 0.845 | 57% | 0.568 | S | S | * | * | trans | -57.3 | 84.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G201 R205 | G201-G203 PolarHBondContact O-N 2.76Å; G203-R205 VanDerWaalsContact C-N 3.27Å; G203-R205 PolarHBondContact O-N 3.33Å | ||
| 204 | E | 64 | Low | 72.6 | Confident | 101 Ų | 101 | 97 Ų | 97 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | trans | -82.9 | 80.6 | -136.8 | -121.3 | 166.1 | -135.8 | 0 | 0 | 108.8 | S202 S206 | S202-E204 WeakPolarHBondContact O-CA 3.36Å; S202-E204 WeakPolarHBondContact O-CB 3.4Å; S202-E204 WeakPolarHBondContact O-CG 3.37Å; S202-E204 PolarHBondContact O-N 3.11Å; S202-E204 VanDerWaalsContact OG-CG 3.22Å; S202-E204 WeakPolarHBondContact OG-CG 3.45Å; S202-E204 PolarHBondContact OG-OE1 3.44Å; E204-S206 PolarHBondContact O-N 3.38Å | ||
| 205 | R | 68.6 | Low | 73.4 | Confident | 204 Ų | 204 | 91.3 Ų | 91.3 | 77% | 0.77 | 52% | 0.522 | S | S | * | . | trans | -59.2 | 82.8 | 154.3 | -68.6 | -172.3 | -175.6 | 132.2 | 0.1 | 106.3 | G203 D207 V214 | G203-R205 VanDerWaalsContact C-N 3.27Å; G203-R205 PolarHBondContact O-N 3.33Å; R205-D207 PolarHBondContact O-N 3.37Å; R205-V214 HydrophobicContact CB-CG1 3.76Å; R205-V214 HydrophobicContact CB-CG2 4.34Å; R205-V214 HydrophobicContact CG-CG1 3.93Å | ||
| 206 | S | 83.9 | Confident | 74.4 | Confident | 18 Ų | 18 | 94.7 Ų | 94.7 | 13% | 0.126 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 117.3 | 177.6 | 55.3 | 0 | 0 | 0 | 0 | 106.9 | E204 V215 K220 A227 | E204-S206 PolarHBondContact O-N 3.38Å; S206-V215 WeakPolarHBondContact O-CB 3.24Å; S206-V215 WeakPolarHBondContact O-CG2 3.39Å; S206-V215 PolarHBondContact O-N 3.41Å; S206-K220 WeakPolarHBondContact OG-CE 3.5Å; S206-K220 PolarHBondContact OG-NZ 3.17Å; S206-A227 VanDerWaalsContact CB-CB 3.43Å; S206-A227 VanDerWaalsContact OG-CB 3.25Å; S206-A227 WeakPolarHBondContact OG-CB 3.26Å |
| 207 | D | 91.9 | Very high | 75.5 | Confident | 92 Ų | 92 | 91.4 Ų | 91.4 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 141.8 | 177.5 | -60.8 | -34.1 | 0 | 0 | 0 | 110.2 | R205 A209 V214 | R205-D207 PolarHBondContact O-N 3.37Å; D207-A209 PolarHBondContact O-N 3.08Å; D207-V214 WeakPolarHBondContact OD1-CG2 3.5Å |
| 208 | C | 93.8 | Very high | 77 | Confident | 2 Ų | 2 | 95 Ų | 95 | 1% | 0.014 | 53% | 0.533 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 123 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | I210 C211 G212 R213 V215 A227 H229 | C208-I210 PolarHBondContact O-N 3.49Å; C208-C211 VanDerWaalsContact CB-SG 3.56Å; C208-C211 PolarHBondContact O-N 3.41Å; C208-G212 VanDerWaalsContact O-CA 3.29Å; C208-G212 WeakPolarHBondContact O-CA 3.23Å; C208-G212 PolarHBondContact O-N 2.71Å; C208-R213 WeakPolarHBondContact CB-O 3.34Å; C208-R213 PolarHBondContact N-O 2.96Å; C208-V215 HydrophobicContact CB-CG2 3.56Å; C208-A227 VanDerWaalsContact CA-O 3.31Å; C208-A227 WeakPolarHBondContact CA-O 3.4Å; C208-H229 WeakPolarHBondContact CB-CE1 3.35Å; C208-H229 WeakPolarHBondContact CB-ND1 3.23Å; C208-H229 PolarHBondContact SG-ND1 3.4Å |
| 209 | A | 90.8 | Very high | 78.8 | Confident | 58 Ų | 58 | 90.8 Ų | 90.8 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | D207 K226 A227 F228 | D207-A209 PolarHBondContact O-N 3.08Å; A209-K226 HydrophobicContact CB-CB 4.15Å; A209-K226 HydrophobicContact CB-CD 3.94Å; A209-K226 HydrophobicContact CB-CG 4.39Å; A209-A227 PolarHBondContact N-O 3.33Å; A209-F228 HydrophobicContact CB-CD1 4.28Å; A209-F228 HydrophobicContact CB-CE1 3.7Å; A209-F228 HydrophobicContact CB-CZ 4.09Å |
| 210 | I | 91.6 | Very high | 80.5 | Confident | 85 Ų | 85 | 86.6 Ų | 86.6 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -47 | 179.4 | -62.4 | 170.1 | 0 | 0 | 0 | 111.8 | C208 F228 C232 L254 | C208-I210 PolarHBondContact O-N 3.49Å; I210-F228 HydrophobicContact CD1-CD1 3.62Å; I210-F228 HydrophobicContact CD1-CE1 3.96Å; I210-F228 HydrophobicContact CG1-CD1 3.82Å; I210-F228 HydrophobicContact CG1-CE1 3.91Å; I210-C232 HydrophobicContact CB-CB 4.22Å; I210-C232 HydrophobicContact CD1-CB 4.11Å; I210-C232 WeakPolarHBondContact CD1-O 3.28Å; I210-C232 HydrophobicContact CG2-CB 4.44Å; I210-L254 HydrophobicContact CD1-CD1 3.86Å |
| 211 | C | 93.6 | Very high | 82.7 | Confident | 45 Ų | 45 | 79.9 Ų | 79.9 | 30% | 0.304 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -6.8 | -176.2 | 74.8 | 0 | 0 | 0 | 0 | 114.7 | C208 R213 H229 | C208-C211 VanDerWaalsContact CB-SG 3.56Å; C208-C211 PolarHBondContact O-N 3.41Å; C211-R213 PolarHBondContact O-N 3.16Å; C211-R213 VanDerWaalsContact O-N 3.17Å; C211-H229 PolarHBondContact SG-CE1 2.81Å; C211-H229 PolarHBondContact SG-ND1 3.36Å |
| 212 | G | 91.8 | Very high | 84.8 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 55% | 0.546 | 45% | 0.453 | S | S | . | . | trans | 69.8 | 4.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C208 | C208-G212 VanDerWaalsContact O-CA 3.29Å; C208-G212 WeakPolarHBondContact O-CA 3.23Å; C208-G212 PolarHBondContact O-N 2.71Å | ||
| 213 | R | 92.6 | Very high | 86.7 | Confident | 172 Ų | 172 | 79.4 Ų | 79.4 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -90.9 | 150.1 | 178.3 | -63.5 | -178.4 | -75.1 | -168.7 | -2.2 | 111.1 | C208 C211 V215 H229 | C208-R213 WeakPolarHBondContact CB-O 3.34Å; C208-R213 PolarHBondContact N-O 2.96Å; C211-R213 PolarHBondContact O-N 3.16Å; C211-R213 VanDerWaalsContact O-N 3.17Å; R213-V215 PolarHBondContact O-N 3.47Å; R213-H229 PolarHBondContact O-CE1 3.35Å |
| 214 | V | 92.6 | Very high | 88.2 | Confident | 48 Ų | 48 | 81 Ų | 81 | 29% | 0.291 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 132.3 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | R205 D207 H229 | R205-V214 HydrophobicContact CB-CG1 3.76Å; R205-V214 HydrophobicContact CB-CG2 4.34Å; R205-V214 HydrophobicContact CG-CG1 3.93Å; D207-V214 WeakPolarHBondContact OD1-CG2 3.5Å; V214-H229 PolarHBondContact O-NE2 2.89Å |
| 215 | V | 92.8 | Very high | 89.2 | Confident | 4 Ų | 4 | 86.1 Ų | 86.1 | 2% | 0.024 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.7 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | S206 C208 R213 E219 K220 A227 | S206-V215 WeakPolarHBondContact O-CB 3.24Å; S206-V215 WeakPolarHBondContact O-CG2 3.39Å; S206-V215 PolarHBondContact O-N 3.41Å; C208-V215 HydrophobicContact CB-CG2 3.56Å; R213-V215 PolarHBondContact O-N 3.47Å; V215-E219 HydrophobicContact CG1-CB 4.47Å; V215-K220 VanDerWaalsContact CG1-CA 3.43Å; V215-K220 HydrophobicContact CG1-CB 3.85Å; V215-K220 HydrophobicContact CG1-CG 4.23Å; V215-A227 HydrophobicContact CG2-CB 4.32Å |
| 216 | Y | 91.4 | Very high | 90.3 | Very high | 164 Ų | 164 | 81 Ų | 81 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 150 | 175.3 | -66.8 | -76 | 0 | 0 | 0 | 111.2 | V218 E219 K220 | Y216-V218 PolarHBondContact O-N 2.98Å; Y216-E219 CarbonylContact O-C 3.52Å; Y216-E219 PolarHBondContact O-N 3.35Å; Y216-K220 PolarHBondContact O-N 3Å |
| 217 | P | 89.3 | Confident | 90.7 | Very high | 111 Ų | 111 | 80.4 Ų | 80.4 | 72% | 0.721 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -35.5 | -175.9 | -29.6 | 35.6 | 0 | 0 | 0 | 115 | E219 K220 | P217-E219 VanDerWaalsContact C-N 3.32Å; P217-E219 PolarHBondContact O-N 3.45Å; P217-K220 PolarHBondContact O-N 3.19Å |
| 218 | V | 90.5 | Very high | 90.7 | Very high | 127 Ų | 127 | 76.6 Ų | 76.6 | 77% | 0.77 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -37 | 178.9 | 178.6 | 0 | 0 | 0 | 0 | 112 | Y216 K230 | Y216-V218 PolarHBondContact O-N 2.98Å; V218-K230 WeakPolarHBondContact O-CE 3.11Å |
| 219 | E | 89.5 | Confident | 90.7 | Very high | 92 Ų | 92 | 77.4 Ų | 77.4 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -0.6 | -179.3 | -62.6 | -167.1 | 165 | 0 | 0 | 113.6 | V215 Y216 P217 L221 H229 K230 | V215-E219 HydrophobicContact CG1-CB 4.47Å; Y216-E219 CarbonylContact O-C 3.52Å; Y216-E219 PolarHBondContact O-N 3.35Å; P217-E219 VanDerWaalsContact C-N 3.32Å; P217-E219 PolarHBondContact O-N 3.45Å; E219-L221 PolarHBondContact O-N 2.98Å; E219-H229 IonicContact OE2-CD2 3.33Å; E219-H229 PolarHBondContact OE2-CD2 3.11Å; E219-K230 PolarHBondContact O-N 2.9Å; E219-K230 VanDerWaalsContact O-N 3.13Å |
| 220 | K | 90.5 | Very high | 90.8 | Very high | 58 Ų | 58 | 79.9 Ų | 79.9 | 25% | 0.252 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 116 | -172.1 | -170.6 | 169 | 173.9 | 169.7 | 0 | 111.7 | S206 V215 Y216 P217 | S206-K220 WeakPolarHBondContact OG-CE 3.5Å; S206-K220 PolarHBondContact OG-NZ 3.17Å; V215-K220 VanDerWaalsContact CG1-CA 3.43Å; V215-K220 HydrophobicContact CG1-CB 3.85Å; V215-K220 HydrophobicContact CG1-CG 4.23Å; Y216-K220 PolarHBondContact O-N 3Å; P217-K220 PolarHBondContact O-N 3.19Å |
| 221 | L | 91.4 | Very high | 90.8 | Very high | 31 Ų | 31 | 77.4 Ų | 77.4 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 114 | 165.1 | -64.4 | -178.7 | 0 | 0 | 0 | 108.8 | E219 A227 F228 K230 F233 | E219-L221 PolarHBondContact O-N 2.98Å; L221-A227 CarbonylContact O-C 3.56Å; L221-A227 WeakPolarHBondContact O-CA 2.91Å; L221-F228 HydrophobicContact CB-CB 4.35Å; L221-F228 PolarHBondContact N-O 2.84Å; L221-F228 PolarHBondContact O-N 3.36Å; L221-K230 HydrophobicContact CD1-CB 4.37Å; L221-K230 HydrophobicContact CD1-CG 4.08Å; L221-K230 HydrophobicContact CD2-CG 4.21Å; L221-K230 HydrophobicContact CG-CG 3.94Å; L221-F233 HydrophobicContact CD1-CB 3.82Å; L221-F233 HydrophobicContact CD1-CD1 4.03Å; L221-F233 HydrophobicContact CD1-CG 4.04Å |
| 222 | Q | 90.2 | Very high | 90.8 | Very high | 105 Ų | 105 | 75.9 Ų | 75.9 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.2 | 178.5 | -166 | 102.5 | -17.1 | 0 | 0 | 109.4 | K226 | Q222-K226 WeakPolarHBondContact CA-O 3.22Å |
| 223 | L | 87.4 | Confident | 90.9 | Very high | 15 Ų | 15 | 73.4 Ų | 73.4 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 137.1 | 179.2 | -66.3 | 168.1 | 0 | 0 | 0 | 109.8 | K225 K226 F228 F233 V244 Y247 | L223-K225 PolarHBondContact O-N 2.9Å; L223-K225 VanDerWaalsContact O-N 3.1Å; L223-K226 PolarHBondContact N-O 2.93Å; L223-K226 WeakPolarHBondContact O-CA 3.2Å; L223-K226 PolarHBondContact O-N 3.21Å; L223-K226 VanDerWaalsContact O-O 3.05Å; L223-F228 HydrophobicContact CB-CD2 4.38Å; L223-F228 HydrophobicContact CB-CE2 4.07Å; L223-F233 HydrophobicContact CD1-CD2 3.89Å; L223-F233 HydrophobicContact CD1-CE1 3.85Å; L223-F233 HydrophobicContact CD1-CE2 3.11Å; L223-F233 HydrophobicContact CD1-CZ 3.09Å; L223-V244 HydrophobicContact CD2-CG1 4.19Å; L223-V244 HydrophobicContact CD2-CG2 4.39Å; L223-Y247 HydrophobicContact CD1-CD1 4.46Å; L223-Y247 HydrophobicContact CD1-CE1 4.28Å; L223-Y247 HydrophobicContact CD1-CE2 4.47Å; L223-Y247 HydrophobicContact CD2-CE1 3.72Å |
| 224 | E | 84.1 | Confident | 91 | Very high | 115 Ų | 115 | 70.1 Ų | 70.1 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 41.8 | 177.9 | -60.6 | -176.7 | 166.6 | 0 | 0 | 114 | K226 S249 | E224-K226 PolarHBondContact O-N 3.12Å; E224-S249 VanDerWaalsContact CD-CB 3.42Å; E224-S249 WeakPolarHBondContact OE1-CB 3.03Å; E224-S249 WeakPolarHBondContact OE2-CB 3.02Å; E224-S249 PolarHBondContact OE2-OG 3.32Å |
| 225 | K | 86 | Confident | 91.1 | Very high | 209 Ų | 209 | 67.9 Ų | 67.9 | 91% | 0.909 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 14.7 | -176.6 | -50.5 | 177.1 | 178.3 | 179.5 | 0 | 115.2 | L223 | L223-K225 PolarHBondContact O-N 2.9Å; L223-K225 VanDerWaalsContact O-N 3.1Å |
| 226 | K | 89.8 | Confident | 91 | Very high | 98 Ų | 98 | 70.7 Ų | 70.7 | 43% | 0.426 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 152.7 | 174.7 | -64.8 | 178.4 | -178.8 | 178.8 | 0 | 110.6 | A209 Q222 L223 E224 F228 | A209-K226 HydrophobicContact CB-CB 4.15Å; A209-K226 HydrophobicContact CB-CD 3.94Å; A209-K226 HydrophobicContact CB-CG 4.39Å; Q222-K226 WeakPolarHBondContact CA-O 3.22Å; L223-K226 PolarHBondContact N-O 2.93Å; L223-K226 WeakPolarHBondContact O-CA 3.2Å; L223-K226 PolarHBondContact O-N 3.21Å; L223-K226 VanDerWaalsContact O-O 3.05Å; E224-K226 PolarHBondContact O-N 3.12Å; K226-F228 HydrophobicContact CB-CE2 3.72Å; K226-F228 HydrophobicContact CB-CZ 3.84Å; K226-F228 HydrophobicContact CD-CZ 4.31Å |
| 227 | A | 92.2 | Very high | 91 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 3% | 0.033 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 147 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S206 C208 A209 V215 L221 | S206-A227 VanDerWaalsContact CB-CB 3.43Å; S206-A227 VanDerWaalsContact OG-CB 3.25Å; S206-A227 WeakPolarHBondContact OG-CB 3.26Å; C208-A227 VanDerWaalsContact CA-O 3.31Å; C208-A227 WeakPolarHBondContact CA-O 3.4Å; A209-A227 PolarHBondContact N-O 3.33Å; V215-A227 HydrophobicContact CG2-CB 4.32Å; L221-A227 CarbonylContact O-C 3.56Å; L221-A227 WeakPolarHBondContact O-CA 2.91Å |
| 228 | F | 93.4 | Very high | 91.2 | Very high | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.057 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 146.5 | 178.1 | -55.6 | -88.7 | 0 | 0 | 0 | 109.8 | A209 I210 L221 L223 K226 F233 L254 | A209-F228 HydrophobicContact CB-CD1 4.28Å; A209-F228 HydrophobicContact CB-CE1 3.7Å; A209-F228 HydrophobicContact CB-CZ 4.09Å; I210-F228 HydrophobicContact CD1-CD1 3.62Å; I210-F228 HydrophobicContact CD1-CE1 3.96Å; I210-F228 HydrophobicContact CG1-CD1 3.82Å; I210-F228 HydrophobicContact CG1-CE1 3.91Å; L221-F228 HydrophobicContact CB-CB 4.35Å; L221-F228 PolarHBondContact N-O 2.84Å; L221-F228 PolarHBondContact O-N 3.36Å; L223-F228 HydrophobicContact CB-CD2 4.38Å; L223-F228 HydrophobicContact CB-CE2 4.07Å; K226-F228 HydrophobicContact CB-CE2 3.72Å; K226-F228 HydrophobicContact CB-CZ 3.84Å; K226-F228 HydrophobicContact CD-CZ 4.31Å; F228-F233 HydrophobicContact CB-CB 4.38Å; F228-F233 HydrophobicContact CB-CD2 4.37Å; F228-F233 HydrophobicContact CD2-CD2 4.34Å; F228-F233 HydrophobicContact CG-CD2 4.18Å; F228-L254 HydrophobicContact CD1-CD1 4.38Å; F228-L254 HydrophobicContact CE1-CD1 4.09Å |
| 229 | H | 94 | Very high | 91.3 | Very high | 19 Ų | 19 | 64.6 Ų | 64.6 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 145.3 | 162.9 | -57 | 98.2 | 0 | 0 | 0 | 109.6 | C208 C211 R213 V214 E219 G231 C232 F233 | C208-H229 WeakPolarHBondContact CB-CE1 3.35Å; C208-H229 WeakPolarHBondContact CB-ND1 3.23Å; C208-H229 PolarHBondContact SG-ND1 3.4Å; C211-H229 PolarHBondContact SG-CE1 2.81Å; C211-H229 PolarHBondContact SG-ND1 3.36Å; R213-H229 PolarHBondContact O-CE1 3.35Å; V214-H229 PolarHBondContact O-NE2 2.89Å; E219-H229 IonicContact OE2-CD2 3.33Å; E219-H229 PolarHBondContact OE2-CD2 3.11Å; H229-G231 PolarHBondContact O-N 2.89Å; H229-G231 VanDerWaalsContact O-N 3.15Å; H229-C232 HydrophobicContact CB-CB 4Å; H229-C232 PolarHBondContact O-N 2.68Å; H229-F233 PolarHBondContact O-N 3.37Å; H229-F233 VanDerWaalsContact O-N 3.09Å |
| 230 | K | 91.8 | Very high | 91.4 | Very high | 110 Ų | 110 | 67.1 Ų | 67.1 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -39.7 | 170.7 | -69 | 175.3 | -168.2 | -76 | 0 | 112.7 | V218 E219 L221 | V218-K230 WeakPolarHBondContact O-CE 3.11Å; E219-K230 PolarHBondContact O-N 2.9Å; E219-K230 VanDerWaalsContact O-N 3.13Å; L221-K230 HydrophobicContact CD1-CB 4.37Å; L221-K230 HydrophobicContact CD1-CG 4.08Å; L221-K230 HydrophobicContact CD2-CG 4.21Å; L221-K230 HydrophobicContact CG-CG 3.94Å |
| 231 | G | 92.1 | Very high | 91.5 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H229 F233 R234 | H229-G231 PolarHBondContact O-N 2.89Å; H229-G231 VanDerWaalsContact O-N 3.15Å; G231-F233 VanDerWaalsContact C-N 3.34Å; G231-R234 WeakPolarHBondContact O-CD 3.49Å; G231-R234 WeakPolarHBondContact O-CG 3.5Å; G231-R234 PolarHBondContact O-NE 3.05Å; G231-R234 PolarHBondContact O-NH1 2.89Å |
| 232 | C | 93.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 68.6 Ų | 68.6 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -25.7 | -177.7 | -70.4 | 0 | 0 | 0 | 0 | 113 | I210 H229 R234 | I210-C232 HydrophobicContact CB-CB 4.22Å; I210-C232 HydrophobicContact CD1-CB 4.11Å; I210-C232 WeakPolarHBondContact CD1-O 3.28Å; I210-C232 HydrophobicContact CG2-CB 4.44Å; H229-C232 HydrophobicContact CB-CB 4Å; H229-C232 PolarHBondContact O-N 2.68Å; C232-R234 VanDerWaalsContact C-N 3.3Å; C232-R234 PolarHBondContact O-N 3.41Å |
| 233 | F | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -70.5 | 81.7 | -177 | -167.5 | -116.7 | 0 | 0 | 0 | 111.7 | L221 L223 F228 H229 G231 L242 Y247 L254 | L221-F233 HydrophobicContact CD1-CB 3.82Å; L221-F233 HydrophobicContact CD1-CD1 4.03Å; L221-F233 HydrophobicContact CD1-CG 4.04Å; L223-F233 HydrophobicContact CD1-CD2 3.89Å; L223-F233 HydrophobicContact CD1-CE1 3.85Å; L223-F233 HydrophobicContact CD1-CE2 3.11Å; L223-F233 HydrophobicContact CD1-CZ 3.09Å; F228-F233 HydrophobicContact CB-CB 4.38Å; F228-F233 HydrophobicContact CB-CD2 4.37Å; F228-F233 HydrophobicContact CD2-CD2 4.34Å; F228-F233 HydrophobicContact CG-CD2 4.18Å; H229-F233 PolarHBondContact O-N 3.37Å; H229-F233 VanDerWaalsContact O-N 3.09Å; G231-F233 VanDerWaalsContact C-N 3.34Å; F233-L242 HydrophobicContact CD1-CB 3.56Å; F233-L242 WeakPolarHBondContact CD1-O 3.27Å; F233-L242 HydrophobicContact CE1-CB 3.34Å; F233-L242 HydrophobicContact CG-CB 4.34Å; F233-L242 HydrophobicContact CZ-CB 3.98Å; F233-L242 PolarHBondContact O-N 3.45Å; F233-Y247 HydrophobicContact CE1-CD1 4.45Å; F233-Y247 HydrophobicContact CE1-CG 4.25Å; F233-Y247 HydrophobicContact CE2-CD2 4.48Å; F233-Y247 HydrophobicContact CE2-CG 4.45Å; F233-Y247 AromaticContact CZ-CD1 3.94Å; F233-Y247 HydrophobicContact CZ-CD1 3.94Å; F233-Y247 AromaticContact CZ-CD2 3.92Å; F233-Y247 HydrophobicContact CZ-CD2 3.92Å; F233-Y247 AromaticContact CZ-CG 3.49Å; F233-Y247 HydrophobicContact CZ-CG 3.49Å; F233-Y247 VanDerWaalsContact CZ-CG 3.49Å; F233-L254 HydrophobicContact CD2-CD1 3.34Å; F233-L254 HydrophobicContact CD2-CD2 4.45Å; F233-L254 HydrophobicContact CD2-CG 4.5Å; F233-L254 HydrophobicContact CE2-CD1 3.45Å; F233-L254 VanDerWaalsContact CE2-CD1 3.45Å; F233-L254 HydrophobicContact CE2-CD2 3.72Å; F233-L254 HydrophobicContact CE2-CG 4.18Å; F233-L254 HydrophobicContact CG-CD1 4.38Å | ||
| 234 | R | 94.3 | Very high | 91.8 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 39% | 0.389 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -133.2 | 151.8 | -171.8 | -66.9 | 179.6 | -63.5 | -125.5 | 8.3 | 111.6 | G231 C232 L239 K240 | G231-R234 WeakPolarHBondContact O-CD 3.49Å; G231-R234 WeakPolarHBondContact O-CG 3.5Å; G231-R234 PolarHBondContact O-NE 3.05Å; G231-R234 PolarHBondContact O-NH1 2.89Å; C232-R234 VanDerWaalsContact C-N 3.3Å; C232-R234 PolarHBondContact O-N 3.41Å; R234-L239 WeakPolarHBondContact CD-O 3.48Å; R234-K240 VanDerWaalsContact CA-O 3.29Å; R234-K240 WeakPolarHBondContact CA-O 3.44Å |
| 235 | C | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | trans | -68.4 | 133 | 176.5 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | K237 C238 L239 K240 L242 L254 C256 H259 | C235-K237 PolarHBondContact O-N 3.06Å; C235-K237 PolarHBondContact SG-N 2.91Å; C235-K237 VanDerWaalsContact SG-N 3.39Å; C235-C238 WeakPolarHBondContact CB-SG 3.43Å; C235-C238 VanDerWaalsContact SG-SG 3.65Å; C235-L239 WeakPolarHBondContact O-CA 3.42Å; C235-L239 PolarHBondContact O-N 3.38Å; C235-K240 PolarHBondContact N-O 3.27Å; C235-L242 HydrophobicContact CB-CD1 4.18Å; C235-L242 HydrophobicContact CB-CD2 4.09Å; C235-L242 HydrophobicContact CB-CG 4.24Å; C235-L254 CarbonylContact C-O 3.56Å; C235-L254 WeakPolarHBondContact CA-O 3.47Å; C235-C256 HydrophobicContact CB-CB 4.41Å; C235-C256 PolarHBondContact SG-N 3.41Å; C235-C256 VanDerWaalsContact SG-N 3.37Å; C235-H259 PolarHBondContact SG-ND1 2.9Å | ||
| 236 | C | 92.4 | Very high | 92.3 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.3 | 177.9 | -64.1 | 0 | 0 | 0 | 0 | 114.5 | L254 Y255 | C236-L254 PolarHBondContact N-O 3.15Å; C236-L254 PolarHBondContact SG-O 3.39Å; C236-Y255 HydrophobicContact CB-CE1 4.05Å |
| 237 | K | 91.3 | Very high | 92.5 | Very high | 101 Ų | 101 | 63.5 Ų | 63.5 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -51.2 | 179.6 | -72.9 | -162.5 | -172.9 | -171.6 | 0 | 113.9 | C235 Y255 H259 | C235-K237 PolarHBondContact O-N 3.06Å; C235-K237 PolarHBondContact SG-N 2.91Å; C235-K237 VanDerWaalsContact SG-N 3.39Å; K237-Y255 HydrophobicContact CG-CD1 4.21Å; K237-Y255 HydrophobicContact CG-CE1 4.02Å; K237-H259 HydrophobicContact CB-CB 4.37Å; K237-H259 VanDerWaalsContact CB-ND1 3.31Å; K237-H259 WeakPolarHBondContact CB-ND1 3.27Å; K237-H259 HydrophobicContact CD-CB 4.14Å |
| 238 | C | 93 | Very high | 92.5 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -5.7 | -179.9 | 49 | 0 | 0 | 0 | 0 | 114.3 | C235 K240 H259 | C235-C238 WeakPolarHBondContact CB-SG 3.43Å; C235-C238 VanDerWaalsContact SG-SG 3.65Å; C238-K240 HydrophobicContact CB-CB 4.39Å; C238-K240 PolarHBondContact O-N 3.1Å; C238-K240 VanDerWaalsContact SG-CB 3.58Å; C238-H259 WeakPolarHBondContact CB-CE1 3.49Å; C238-H259 PolarHBondContact N-CE1 3.28Å; C238-H259 PolarHBondContact SG-CE1 2.93Å; C238-H259 PolarHBondContact SG-ND1 3.26Å; C238-H259 VanDerWaalsContact SG-ND1 3.41Å |
| 239 | L | 92.1 | Very high | 92.4 | Very high | 119 Ų | 119 | 65.4 Ų | 65.4 | 62% | 0.623 | 34% | 0.343 | S | S | * | . | trans | 57.4 | 10.6 | -174 | -53.9 | 175.2 | 0 | 0 | 0 | 114.6 | R234 C235 | R234-L239 WeakPolarHBondContact CD-O 3.48Å; C235-L239 WeakPolarHBondContact O-CA 3.42Å; C235-L239 PolarHBondContact O-N 3.38Å | ||
| 240 | K | 92.1 | Very high | 92.3 | Very high | 146 Ų | 146 | 66.9 Ų | 66.9 | 64% | 0.635 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 136.4 | 176.7 | -171.4 | 174.4 | -67.2 | -170.2 | 0 | 110.2 | R234 C235 C238 L242 | R234-K240 VanDerWaalsContact CA-O 3.29Å; R234-K240 WeakPolarHBondContact CA-O 3.44Å; C235-K240 PolarHBondContact N-O 3.27Å; C238-K240 HydrophobicContact CB-CB 4.39Å; C238-K240 PolarHBondContact O-N 3.1Å; C238-K240 VanDerWaalsContact SG-CB 3.58Å; K240-L242 PolarHBondContact O-N 3.47Å |
| 241 | N | 93.4 | Very high | 92.1 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | B | Isolated β-bridge | trans | -57.5 | 123.5 | 172.4 | -69.1 | 42.2 | 0 | 0 | 0 | 109.7 | ||
| 242 | L | 93.5 | Very high | 91.8 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 156.6 | 177.1 | -63.9 | 174.9 | 0 | 0 | 0 | 108.7 | F233 C235 K240 L254 C256 | F233-L242 HydrophobicContact CD1-CB 3.56Å; F233-L242 WeakPolarHBondContact CD1-O 3.27Å; F233-L242 HydrophobicContact CE1-CB 3.34Å; F233-L242 HydrophobicContact CG-CB 4.34Å; F233-L242 HydrophobicContact CZ-CB 3.98Å; F233-L242 PolarHBondContact O-N 3.45Å; C235-L242 HydrophobicContact CB-CD1 4.18Å; C235-L242 HydrophobicContact CB-CD2 4.09Å; C235-L242 HydrophobicContact CB-CG 4.24Å; K240-L242 PolarHBondContact O-N 3.47Å; L242-L254 HydrophobicContact CD1-CB 3.81Å; L242-C256 HydrophobicContact CD2-CB 3.65Å |
| 243 | S | 91.1 | Very high | 91.7 | Very high | 49 Ų | 49 | 76.9 Ų | 76.9 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | trans | -120.2 | 164.2 | 168.5 | 71.3 | 0 | 0 | 0 | 0 | 108.4 | Q245 N246 Y247 | S243-Q245 PolarHBondContact O-N 3.1Å; S243-Q245 PolarHBondContact OG-N 2.84Å; S243-N246 PolarHBondContact O-N 3.18Å; S243-N246 PolarHBondContact OG-N 2.76Å; S243-Y247 PolarHBondContact O-N 3.02Å | ||
| 244 | V | 89.7 | Confident | 91.6 | Very high | 90 Ų | 90 | 77.4 Ų | 77.4 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23.2 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | L223 Y247 | L223-V244 HydrophobicContact CD2-CG1 4.19Å; L223-V244 HydrophobicContact CD2-CG2 4.39Å; V244-Y247 HydrophobicContact CG1-CE1 4.38Å; V244-Y247 VanDerWaalsContact O-CD1 3.22Å; V244-Y247 WeakPolarHBondContact O-CD1 3.18Å; V244-Y247 VanDerWaalsContact O-CE1 3.26Å; V244-Y247 WeakPolarHBondContact O-CE1 3.37Å |
| 245 | Q | 90.4 | Very high | 91.6 | Very high | 155 Ų | 155 | 73.5 Ų | 73.5 | 72% | 0.724 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -24.3 | 178.3 | -65 | -178.3 | -20.9 | 0 | 0 | 114.5 | S243 K257 | S243-Q245 PolarHBondContact O-N 3.1Å; S243-Q245 PolarHBondContact OG-N 2.84Å; Q245-K257 WeakPolarHBondContact O-CE 3.41Å; Q245-K257 PolarHBondContact O-NZ 3.09Å |
| 246 | N | 90.7 | Very high | 91.5 | Very high | 86 Ų | 86 | 74.4 Ų | 74.4 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 8.3 | -168.4 | -69.5 | -17 | 0 | 0 | 0 | 114.1 | S243 K257 | S243-N246 PolarHBondContact O-N 3.18Å; S243-N246 PolarHBondContact OG-N 2.76Å; N246-K257 PolarHBondContact O-N 2.96Å |
| 247 | Y | 92.9 | Very high | 91.5 | Very high | 56 Ų | 56 | 76.6 Ų | 76.6 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 158.7 | 179.3 | 89.6 | -83.9 | 0 | 0 | 0 | 112.7 | L223 F233 S243 V244 L254 Y255 | L223-Y247 HydrophobicContact CD1-CD1 4.46Å; L223-Y247 HydrophobicContact CD1-CE1 4.28Å; L223-Y247 HydrophobicContact CD1-CE2 4.47Å; L223-Y247 HydrophobicContact CD2-CE1 3.72Å; F233-Y247 HydrophobicContact CE1-CD1 4.45Å; F233-Y247 HydrophobicContact CE1-CG 4.25Å; F233-Y247 HydrophobicContact CE2-CD2 4.48Å; F233-Y247 HydrophobicContact CE2-CG 4.45Å; F233-Y247 AromaticContact CZ-CD1 3.94Å; F233-Y247 HydrophobicContact CZ-CD1 3.94Å; F233-Y247 AromaticContact CZ-CD2 3.92Å; F233-Y247 HydrophobicContact CZ-CD2 3.92Å; F233-Y247 AromaticContact CZ-CG 3.49Å; F233-Y247 HydrophobicContact CZ-CG 3.49Å; F233-Y247 VanDerWaalsContact CZ-CG 3.49Å; S243-Y247 PolarHBondContact O-N 3.02Å; V244-Y247 HydrophobicContact CG1-CE1 4.38Å; V244-Y247 VanDerWaalsContact O-CD1 3.22Å; V244-Y247 WeakPolarHBondContact O-CD1 3.18Å; V244-Y247 VanDerWaalsContact O-CE1 3.26Å; V244-Y247 WeakPolarHBondContact O-CE1 3.37Å; Y247-L254 HydrophobicContact CD2-CD2 4.49Å; Y247-Y255 CarbonylContact C-O 3.58Å; Y247-Y255 WeakPolarHBondContact CA-O 3.29Å |
| 248 | S | 93 | Very high | 91.4 | Very high | 31 Ų | 31 | 74.5 Ų | 74.5 | 22% | 0.217 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 134.9 | 165.6 | -56.1 | 0 | 0 | 0 | 0 | 108 | Y255 | S248-Y255 PolarHBondContact N-O 2.84Å; S248-Y255 PolarHBondContact O-N 3.34Å |
| 249 | S | 91.9 | Very high | 91.3 | Very high | 26 Ų | 26 | 73.3 Ų | 73.3 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.3 | 179.8 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | E224 R253 M260 | E224-S249 VanDerWaalsContact CD-CB 3.42Å; E224-S249 WeakPolarHBondContact OE1-CB 3.03Å; E224-S249 WeakPolarHBondContact OE2-CB 3.02Å; E224-S249 PolarHBondContact OE2-OG 3.32Å; S249-R253 WeakPolarHBondContact CA-O 2.96Å; S249-M260 VanDerWaalsContact O-CE 3.23Å; S249-M260 WeakPolarHBondContact O-CE 3.38Å |
| 250 | H | 90.8 | Very high | 91.2 | Very high | 49 Ų | 49 | 69.2 Ų | 69.2 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 125.9 | 172.7 | -172 | -104.7 | 0 | 0 | 0 | 109.6 | G252 R253 Y255 M260 F264 | H250-G252 PolarHBondContact O-N 3.18Å; H250-R253 PolarHBondContact N-O 2.87Å; H250-R253 WeakPolarHBondContact O-CB 3.41Å; H250-R253 PolarHBondContact O-N 2.97Å; H250-Y255 HydrophobicContact CB-CD2 3.99Å; H250-Y255 HydrophobicContact CB-CE2 3.87Å; H250-M260 HydrophobicContact CB-CE 3.79Å; H250-M260 HydrophobicContact CB-SD 3.8Å; H250-F264 AromaticContact CD2-CE2 3.79Å; H250-F264 AromaticContact CD2-CZ 3.22Å; H250-F264 WeakPolarHBondContact CD2-CZ 3.21Å; H250-F264 AromaticContact NE2-CE1 3.8Å; H250-F264 AromaticContact NE2-CZ 3.28Å; H250-F264 VanDerWaalsContact NE2-CZ 3.28Å; H250-F264 WeakPolarHBondContact NE2-CZ 3.23Å |
| 251 | E | 88 | Confident | 91.1 | Very high | 166 Ų | 166 | 66.2 Ų | 66.2 | 78% | 0.776 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 32.5 | 178.4 | -65.7 | 172.9 | 172 | 0 | 0 | 113.6 | R253 | E251-R253 VanDerWaalsContact C-N 3.3Å; E251-R253 PolarHBondContact O-N 3.17Å |
| 252 | G | 85.7 | Confident | 90.8 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H250 | H250-G252 PolarHBondContact O-N 3.18Š|
| 253 | R | 90.2 | Very high | 90.5 | Very high | 150 Ų | 150 | 65.2 Ų | 65.2 | 57% | 0.566 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 150.8 | 171.6 | -64.1 | -178.5 | -172.5 | -129.4 | 4 | 110.9 | S249 H250 E251 Y255 | S249-R253 WeakPolarHBondContact CA-O 2.96Å; H250-R253 PolarHBondContact N-O 2.87Å; H250-R253 WeakPolarHBondContact O-CB 3.41Å; H250-R253 PolarHBondContact O-N 2.97Å; E251-R253 VanDerWaalsContact C-N 3.3Å; E251-R253 PolarHBondContact O-N 3.17Å; R253-Y255 HydrophobicContact CB-CD2 4.49Å; R253-Y255 HydrophobicContact CB-CE2 3.59Å; R253-Y255 WeakPolarHBondContact CD-OH 3.41Å |
| 254 | L | 93.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 68.1 Ų | 68.1 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.6 | -176.6 | -59.9 | 174.3 | 0 | 0 | 0 | 111.4 | I210 F228 F233 C235 C236 L242 Y247 | I210-L254 HydrophobicContact CD1-CD1 3.86Å; F228-L254 HydrophobicContact CD1-CD1 4.38Å; F228-L254 HydrophobicContact CE1-CD1 4.09Å; F233-L254 HydrophobicContact CD2-CD1 3.34Å; F233-L254 HydrophobicContact CD2-CD2 4.45Å; F233-L254 HydrophobicContact CD2-CG 4.5Å; F233-L254 HydrophobicContact CE2-CD1 3.45Å; F233-L254 VanDerWaalsContact CE2-CD1 3.45Å; F233-L254 HydrophobicContact CE2-CD2 3.72Å; F233-L254 HydrophobicContact CE2-CG 4.18Å; F233-L254 HydrophobicContact CG-CD1 4.38Å; C235-L254 CarbonylContact C-O 3.56Å; C235-L254 WeakPolarHBondContact CA-O 3.47Å; C236-L254 PolarHBondContact N-O 3.15Å; C236-L254 PolarHBondContact SG-O 3.39Å; L242-L254 HydrophobicContact CD1-CB 3.81Å; Y247-L254 HydrophobicContact CD2-CD2 4.49Å |
| 255 | Y | 93.6 | Very high | 90 | Very high | 21 Ų | 21 | 68.8 Ų | 68.8 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152.3 | 177.8 | -60.5 | -81.8 | 0 | 0 | 0 | 111 | C236 K237 Y247 S248 H250 R253 H259 M260 L263 | C236-Y255 HydrophobicContact CB-CE1 4.05Å; K237-Y255 HydrophobicContact CG-CD1 4.21Å; K237-Y255 HydrophobicContact CG-CE1 4.02Å; Y247-Y255 CarbonylContact C-O 3.58Å; Y247-Y255 WeakPolarHBondContact CA-O 3.29Å; S248-Y255 PolarHBondContact N-O 2.84Å; S248-Y255 PolarHBondContact O-N 3.34Å; H250-Y255 HydrophobicContact CB-CD2 3.99Å; H250-Y255 HydrophobicContact CB-CE2 3.87Å; R253-Y255 HydrophobicContact CB-CD2 4.49Å; R253-Y255 HydrophobicContact CB-CE2 3.59Å; R253-Y255 WeakPolarHBondContact CD-OH 3.41Å; Y255-H259 HydrophobicContact CD1-CB 4.3Å; Y255-M260 HydrophobicContact CD2-SD 4.28Å; Y255-L263 HydrophobicContact CD1-CD1 3.73Å; Y255-L263 HydrophobicContact CD2-CD1 3.84Å; Y255-L263 HydrophobicContact CE1-CD1 3.57Å; Y255-L263 HydrophobicContact CE2-CD1 3.68Å; Y255-L263 HydrophobicContact CG-CD1 3.86Å |
| 256 | C | 93.8 | Very high | 89.3 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 14% | 0.135 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 159.4 | 162.4 | 66.3 | 0 | 0 | 0 | 0 | 109 | C235 L242 V258 H259 M260 | C235-C256 HydrophobicContact CB-CB 4.41Å; C235-C256 PolarHBondContact SG-N 3.41Å; C235-C256 VanDerWaalsContact SG-N 3.37Å; L242-C256 HydrophobicContact CD2-CB 3.65Å; C256-V258 PolarHBondContact O-N 3.02Å; C256-H259 PolarHBondContact O-N 3.12Å; C256-H259 VanDerWaalsContact SG-CB 3.57Å; C256-H259 PolarHBondContact SG-N 3.36Å; C256-H259 VanDerWaalsContact SG-N 3.42Å; C256-H259 PolarHBondContact SG-ND1 2.64Å; C256-M260 PolarHBondContact O-N 3.02Å |
| 257 | K | 90.5 | Very high | 88.3 | Confident | 109 Ų | 109 | 69.9 Ų | 69.9 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -50 | -44.1 | 179.4 | -68.8 | 179.3 | 178.1 | 167.4 | 0 | 113.2 | Q245 N246 M260 M261 | Q245-K257 WeakPolarHBondContact O-CE 3.41Å; Q245-K257 PolarHBondContact O-NZ 3.09Å; N246-K257 PolarHBondContact O-N 2.96Å; K257-M260 PolarHBondContact O-N 2.78Å; K257-M261 WeakPolarHBondContact O-CG 3.5Å; K257-M261 PolarHBondContact O-N 3.08Å |
| 258 | V | 89.9 | Confident | 87.1 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.4 | -54.2 | 177.5 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | C256 M260 M261 Q262 F272 | C256-V258 PolarHBondContact O-N 3.02Å; V258-M260 VanDerWaalsContact C-N 3.3Å; V258-M260 PolarHBondContact O-N 2.99Å; V258-M261 WeakPolarHBondContact O-CB 3.44Å; V258-M261 PolarHBondContact O-N 3.5Å; V258-M261 VanDerWaalsContact O-N 3.15Å; V258-Q262 WeakPolarHBondContact O-CG 3.33Å; V258-Q262 PolarHBondContact O-N 3.28Å; V258-F272 HydrophobicContact CG1-CB 4.26Å; V258-F272 HydrophobicContact CG1-CG 4.21Å |
| 259 | H | 91.2 | Very high | 85.6 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.6 | -27.7 | -177.8 | -68.1 | 165.8 | 0 | 0 | 0 | 114.2 | C235 K237 C238 Y255 C256 Q262 L263 | C235-H259 PolarHBondContact SG-ND1 2.9Å; K237-H259 HydrophobicContact CB-CB 4.37Å; K237-H259 VanDerWaalsContact CB-ND1 3.31Å; K237-H259 WeakPolarHBondContact CB-ND1 3.27Å; K237-H259 HydrophobicContact CD-CB 4.14Å; C238-H259 WeakPolarHBondContact CB-CE1 3.49Å; C238-H259 PolarHBondContact N-CE1 3.28Å; C238-H259 PolarHBondContact SG-CE1 2.93Å; C238-H259 PolarHBondContact SG-ND1 3.26Å; C238-H259 VanDerWaalsContact SG-ND1 3.41Å; Y255-H259 HydrophobicContact CD1-CB 4.3Å; C256-H259 PolarHBondContact O-N 3.12Å; C256-H259 VanDerWaalsContact SG-CB 3.57Å; C256-H259 PolarHBondContact SG-N 3.36Å; C256-H259 VanDerWaalsContact SG-N 3.42Å; C256-H259 PolarHBondContact SG-ND1 2.64Å; H259-Q262 PolarHBondContact CD2-OE1 3.38Å; H259-Q262 VanDerWaalsContact CD2-OE1 3.24Å; H259-L263 WeakPolarHBondContact O-CG 3.17Å; H259-L263 PolarHBondContact O-N 2.85Å |
| 260 | M | 90.9 | Very high | 84.2 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 16% | 0.158 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 170.8 | -169.5 | 69.4 | 156.1 | 0 | 0 | 110.4 | S249 H250 Y255 C256 K257 V258 Q262 L263 F264 | S249-M260 VanDerWaalsContact O-CE 3.23Å; S249-M260 WeakPolarHBondContact O-CE 3.38Å; H250-M260 HydrophobicContact CB-CE 3.79Å; H250-M260 HydrophobicContact CB-SD 3.8Å; Y255-M260 HydrophobicContact CD2-SD 4.28Å; C256-M260 PolarHBondContact O-N 3.02Å; K257-M260 PolarHBondContact O-N 2.78Å; V258-M260 VanDerWaalsContact C-N 3.3Å; V258-M260 PolarHBondContact O-N 2.99Å; M260-Q262 VanDerWaalsContact C-N 3.31Å; M260-Q262 PolarHBondContact O-N 2.88Å; M260-L263 WeakPolarHBondContact O-CB 3.44Å; M260-L263 PolarHBondContact O-N 3.32Å; M260-L263 VanDerWaalsContact O-N 3.1Å; M260-F264 HydrophobicContact CE-CE2 3.71Å; M260-F264 HydrophobicContact CE-CZ 4.48Å; M260-F264 HydrophobicContact CG-CD2 4.36Å; M260-F264 HydrophobicContact CG-CE2 4.25Å; M260-F264 WeakPolarHBondContact O-CD2 3.42Å; M260-F264 PolarHBondContact O-N 3.34Å; M260-F264 HydrophobicContact SD-CD2 4.38Å; M260-F264 HydrophobicContact SD-CE2 3.8Å |
| 261 | M | 89.2 | Confident | 82.8 | Confident | 83 Ų | 83 | 74.9 Ų | 74.9 | 41% | 0.409 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.3 | -69.1 | 174.6 | 66.8 | 0 | 0 | 111.8 | K257 V258 L263 F264 H265 F272 | K257-M261 WeakPolarHBondContact O-CG 3.5Å; K257-M261 PolarHBondContact O-N 3.08Å; V258-M261 WeakPolarHBondContact O-CB 3.44Å; V258-M261 PolarHBondContact O-N 3.5Å; V258-M261 VanDerWaalsContact O-N 3.15Å; M261-L263 PolarHBondContact O-N 3.36Å; M261-F264 PolarHBondContact O-N 3.27Å; M261-H265 CarbonylContact O-C 3.53Å; M261-H265 WeakPolarHBondContact O-CA 3.3Å; M261-H265 PolarHBondContact O-N 3.12Å; M261-F272 HydrophobicContact CE-CE2 3.93Å; M261-F272 HydrophobicContact CE-CZ 4.12Å; M261-F272 HydrophobicContact SD-CE2 4.43Å; M261-F272 HydrophobicContact SD-CZ 4.39Å |
| 262 | Q | 87.4 | Confident | 81.6 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.9 | -24.5 | 176.7 | -63.8 | -174.6 | -23.6 | 0 | 0 | 113.6 | V258 H259 M260 A269 | V258-Q262 WeakPolarHBondContact O-CG 3.33Å; V258-Q262 PolarHBondContact O-N 3.28Å; H259-Q262 PolarHBondContact CD2-OE1 3.38Å; H259-Q262 VanDerWaalsContact CD2-OE1 3.24Å; M260-Q262 VanDerWaalsContact C-N 3.31Å; M260-Q262 PolarHBondContact O-N 2.88Å; Q262-A269 HydrophobicContact CB-CB 3.91Å; Q262-A269 HydrophobicContact CG-CB 3.47Å; Q262-A269 VanDerWaalsContact CG-CB 3.47Å |
| 263 | L | 87.1 | Confident | 80.5 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -75.7 | -37.5 | 176.8 | -78.1 | 170.5 | 0 | 0 | 0 | 112.6 | Y255 H259 M260 M261 | Y255-L263 HydrophobicContact CD1-CD1 3.73Å; Y255-L263 HydrophobicContact CD2-CD1 3.84Å; Y255-L263 HydrophobicContact CE1-CD1 3.57Å; Y255-L263 HydrophobicContact CE2-CD1 3.68Å; Y255-L263 HydrophobicContact CG-CD1 3.86Å; H259-L263 WeakPolarHBondContact O-CG 3.17Å; H259-L263 PolarHBondContact O-N 2.85Å; M260-L263 WeakPolarHBondContact O-CB 3.44Å; M260-L263 PolarHBondContact O-N 3.32Å; M260-L263 VanDerWaalsContact O-N 3.1Å; M261-L263 PolarHBondContact O-N 3.36Å |
| 264 | F | 86.8 | Confident | 79.1 | Confident | 110 Ų | 110 | 73.3 Ų | 73.3 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -95 | -28.5 | -177.5 | -71 | -74.8 | 0 | 0 | 0 | 113.8 | H250 M260 M261 | H250-F264 AromaticContact CD2-CE2 3.79Å; H250-F264 AromaticContact CD2-CZ 3.22Å; H250-F264 WeakPolarHBondContact CD2-CZ 3.21Å; H250-F264 AromaticContact NE2-CE1 3.8Å; H250-F264 AromaticContact NE2-CZ 3.28Å; H250-F264 VanDerWaalsContact NE2-CZ 3.28Å; H250-F264 WeakPolarHBondContact NE2-CZ 3.23Å; M260-F264 HydrophobicContact CE-CE2 3.71Å; M260-F264 HydrophobicContact CE-CZ 4.48Å; M260-F264 HydrophobicContact CG-CD2 4.36Å; M260-F264 HydrophobicContact CG-CE2 4.25Å; M260-F264 WeakPolarHBondContact O-CD2 3.42Å; M260-F264 PolarHBondContact O-N 3.34Å; M260-F264 HydrophobicContact SD-CD2 4.38Å; M260-F264 HydrophobicContact SD-CE2 3.8Å; M261-F264 PolarHBondContact O-N 3.27Å |
| 265 | H | 83.7 | Confident | 77.6 | Confident | 105 Ų | 105 | 79.1 Ų | 79.1 | 49% | 0.486 | 39% | 0.392 | S | S | . | . | trans | -132.5 | 74.9 | -177.2 | -57.9 | -69.8 | 0 | 0 | 0 | 109.4 | M261 E267 N268 A269 | M261-H265 CarbonylContact O-C 3.53Å; M261-H265 WeakPolarHBondContact O-CA 3.3Å; M261-H265 PolarHBondContact O-N 3.12Å; H265-E267 PolarHBondContact O-N 2.79Å; H265-N268 HydrophobicContact CB-CB 4.08Å; H265-N268 PolarHBondContact O-N 2.99Å; H265-N268 VanDerWaalsContact O-N 3.09Å; H265-A269 PolarHBondContact O-N 3.1Å | ||
| 266 | P | 75.3 | Confident | 76.1 | Confident | 92 Ų | 92 | 81.4 Ų | 81.4 | 60% | 0.597 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.1 | -28.4 | 179.5 | 25.4 | -34.3 | 0 | 0 | 0 | 112.2 | N268 A269 | P266-N268 VanDerWaalsContact C-N 3.28Å; P266-N268 PolarHBondContact O-N 2.86Å; P266-A269 WeakPolarHBondContact O-CB 3.03Å; P266-A269 PolarHBondContact O-N 2.77Å; P266-A269 VanDerWaalsContact O-N 3.13Å |
| 267 | E | 70.3 | Confident | 74.8 | Confident | 172 Ų | 172 | 86.6 Ų | 86.6 | 80% | 0.804 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.1 | -33.5 | 176.2 | -169.8 | 170.7 | -168 | 0 | 0 | 112.6 | H265 A269 | H265-E267 PolarHBondContact O-N 2.79Å; E267-A269 VanDerWaalsContact C-N 3.34Å |
| 268 | N | 66.6 | Low | 73.6 | Confident | 81 Ų | 81 | 83.5 Ų | 83.5 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -81.8 | -15 | 177.3 | -64.4 | -17.2 | 0 | 0 | 0 | 112.7 | H265 P266 L270 A271 | H265-N268 HydrophobicContact CB-CB 4.08Å; H265-N268 PolarHBondContact O-N 2.99Å; H265-N268 VanDerWaalsContact O-N 3.09Å; P266-N268 VanDerWaalsContact C-N 3.28Å; P266-N268 PolarHBondContact O-N 2.86Å; N268-L270 VanDerWaalsContact C-N 3.34Å; N268-L270 PolarHBondContact O-N 2.93Å; N268-A271 PolarHBondContact O-N 2.79Å |
| 269 | A | 60.9 | Low | 72.5 | Confident | 11 Ų | 11 | 83.2 Ų | 83.2 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q262 H265 P266 E267 A271 F272 D273 | Q262-A269 HydrophobicContact CB-CB 3.91Å; Q262-A269 HydrophobicContact CG-CB 3.47Å; Q262-A269 VanDerWaalsContact CG-CB 3.47Å; H265-A269 PolarHBondContact O-N 3.1Å; P266-A269 WeakPolarHBondContact O-CB 3.03Å; P266-A269 PolarHBondContact O-N 2.77Å; P266-A269 VanDerWaalsContact O-N 3.13Å; E267-A269 VanDerWaalsContact C-N 3.34Å; A269-A271 PolarHBondContact O-N 3.15Å; A269-F272 PolarHBondContact O-N 3.46Å; A269-F272 VanDerWaalsContact O-N 3.13Å; A269-D273 PolarHBondContact O-N 2.9Å |
| 270 | L | 62.8 | Low | 71.6 | Confident | 118 Ų | 118 | 84.2 Ų | 84.2 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.6 | -19.9 | -176.6 | -61.3 | 178.4 | 0 | 0 | 0 | 113.1 | N268 R274 | N268-L270 VanDerWaalsContact C-N 3.34Å; N268-L270 PolarHBondContact O-N 2.93Å; L270-R274 WeakPolarHBondContact O-CG 3.49Å; L270-R274 PolarHBondContact O-N 2.89Å |
| 271 | A | 62.5 | Low | 70.8 | Confident | 56 Ų | 56 | 88.5 Ų | 88.5 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.8 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N268 A269 E275 | N268-A271 PolarHBondContact O-N 2.79Å; A269-A271 PolarHBondContact O-N 3.15Å; A271-E275 PolarHBondContact O-N 3.46Å |
| 272 | F | 62.3 | Low | 70.1 | Confident | 72 Ų | 72 | 92 Ų | 92 | 32% | 0.316 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.9 | -35.9 | -179.1 | -71.3 | -76.4 | 0 | 0 | 0 | 112.8 | V258 M261 A269 R274 E275 S276 | V258-F272 HydrophobicContact CG1-CB 4.26Å; V258-F272 HydrophobicContact CG1-CG 4.21Å; M261-F272 HydrophobicContact CE-CE2 3.93Å; M261-F272 HydrophobicContact CE-CZ 4.12Å; M261-F272 HydrophobicContact SD-CE2 4.43Å; M261-F272 HydrophobicContact SD-CZ 4.39Å; A269-F272 PolarHBondContact O-N 3.46Å; A269-F272 VanDerWaalsContact O-N 3.13Å; F272-R274 VanDerWaalsContact C-N 3.34Å; F272-R274 PolarHBondContact O-N 2.84Å; F272-E275 PolarHBondContact O-N 2.78Å; F272-S276 PolarHBondContact O-N 2.89Å |
| 273 | D | 63 | Low | 69.5 | Low | 70 Ų | 70 | 95.3 Ų | 95.3 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 179.6 | -62.8 | -32.8 | 0 | 0 | 0 | 110.5 | A269 E275 S276 E277 | A269-D273 PolarHBondContact O-N 2.9Å; D273-E275 PolarHBondContact O-N 2.89Å; D273-S276 PolarHBondContact O-N 2.85Å; D273-S276 PolarHBondContact O-OG 2.86Å; D273-E277 PolarHBondContact O-N 3.38Å |
| 274 | R | 60.5 | Low | 69 | Low | 193 Ų | 193 | 95.5 Ų | 95.5 | 73% | 0.728 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -37.2 | 175.5 | -75.5 | -176.9 | 163.2 | 179.1 | -2.7 | 113.6 | L270 F272 A278 | L270-R274 WeakPolarHBondContact O-CG 3.49Å; L270-R274 PolarHBondContact O-N 2.89Å; F272-R274 VanDerWaalsContact C-N 3.34Å; F272-R274 PolarHBondContact O-N 2.84Å; R274-A278 WeakPolarHBondContact O-CB 3.25Å; R274-A278 PolarHBondContact O-N 3.38Å |
| 275 | E | 61.3 | Low | 68.5 | Low | 132 Ų | 132 | 92.7 Ų | 92.7 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.1 | -34.6 | 175.8 | -73.6 | 178.8 | 179 | 0 | 0 | 111.9 | A271 F272 D273 A279 | A271-E275 PolarHBondContact O-N 3.46Å; F272-E275 PolarHBondContact O-N 2.78Å; D273-E275 PolarHBondContact O-N 2.89Å; E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.91Å |
| 276 | S | 63.2 | Low | 68.1 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 49% | 0.49 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70 | -41.7 | 177 | 79 | 0 | 0 | 0 | 0 | 112.6 | F272 D273 A279 A280 | F272-S276 PolarHBondContact O-N 2.89Å; D273-S276 PolarHBondContact O-N 2.85Å; D273-S276 PolarHBondContact O-OG 2.86Å; S276-A279 PolarHBondContact O-N 2.95Å; S276-A280 WeakPolarHBondContact O-CB 2.91Å; S276-A280 PolarHBondContact O-N 3.31Å |
| 277 | E | 65.1 | Low | 68.1 | Low | 128 Ų | 128 | 96.5 Ų | 96.5 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.5 | -41.7 | 175.1 | -70.4 | -178.6 | 165.2 | 0 | 0 | 111.4 | D273 A279 A280 L281 | D273-E277 PolarHBondContact O-N 3.38Å; E277-A279 VanDerWaalsContact C-N 3.33Å; E277-A279 PolarHBondContact O-N 3.01Å; E277-A280 PolarHBondContact O-N 3.48Å; E277-L281 WeakPolarHBondContact O-CB 3.38Å; E277-L281 WeakPolarHBondContact O-CG 3.39Å; E277-L281 PolarHBondContact O-N 2.86Å |
| 278 | A | 65.6 | Low | 68.3 | Low | 44 Ų | 44 | 94 Ų | 94 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R274 K282 | R274-A278 WeakPolarHBondContact O-CB 3.25Å; R274-A278 PolarHBondContact O-N 3.38Å; A278-K282 WeakPolarHBondContact O-CB 3.21Å; A278-K282 VanDerWaalsContact O-CG 3.26Å; A278-K282 WeakPolarHBondContact O-CG 3.49Å; A278-K282 PolarHBondContact O-N 3.46Å |
| 279 | A | 67.9 | Low | 68.2 | Low | 50 Ų | 50 | 99.7 Ų | 99.7 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E275 S276 E277 K282 I283 | E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.91Å; S276-A279 PolarHBondContact O-N 2.95Å; E277-A279 VanDerWaalsContact C-N 3.33Å; E277-A279 PolarHBondContact O-N 3.01Å; A279-K282 PolarHBondContact O-N 3.43Å; A279-I283 WeakPolarHBondContact O-CG1 3.43Å; A279-I283 PolarHBondContact O-N 2.89Å; A279-I283 VanDerWaalsContact O-N 3.08Å |
| 280 | A | 72.2 | Confident | 68.2 | Low | 51 Ų | 51 | 103.8 Ų | 103.8 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S276 E277 K282 I283 V284 | S276-A280 WeakPolarHBondContact O-CB 2.91Å; S276-A280 PolarHBondContact O-N 3.31Å; E277-A280 PolarHBondContact O-N 3.48Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 3.49Å; A280-I283 PolarHBondContact O-N 2.92Å; A280-I283 VanDerWaalsContact O-N 3.15Å; A280-V284 WeakPolarHBondContact O-CG2 3.34Å; A280-V284 PolarHBondContact O-N 3.37Å |
| 281 | L | 74.2 | Confident | 68.3 | Low | 122 Ų | 122 | 102.9 Ų | 102.9 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.4 | -35.9 | 176.2 | -74 | 170.5 | 0 | 0 | 0 | 112.5 | E277 V284 A285 | E277-L281 WeakPolarHBondContact O-CB 3.38Å; E277-L281 WeakPolarHBondContact O-CG 3.39Å; E277-L281 PolarHBondContact O-N 2.86Å; L281-V284 PolarHBondContact O-N 2.98Å; L281-A285 VanDerWaalsContact O-CB 3.28Å; L281-A285 WeakPolarHBondContact O-CB 3.46Å; L281-A285 PolarHBondContact O-N 3.1Å |
| 282 | K | 73.9 | Confident | 67.9 | Low | 156 Ų | 156 | 103 Ų | 103 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -36.4 | 174.1 | -77.7 | 173.4 | -176.1 | 177 | 0 | 112.7 | A278 A279 A280 K286 | A278-K282 WeakPolarHBondContact O-CB 3.21Å; A278-K282 VanDerWaalsContact O-CG 3.26Å; A278-K282 WeakPolarHBondContact O-CG 3.49Å; A278-K282 PolarHBondContact O-N 3.46Å; A279-K282 PolarHBondContact O-N 3.43Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 3.49Å; K282-K286 WeakPolarHBondContact O-CB 3.35Å; K282-K286 PolarHBondContact O-N 3.05Å |
| 283 | I | 73.5 | Confident | 67.2 | Low | 100 Ų | 100 | 104.5 Ų | 104.5 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.3 | -49.5 | 175.4 | -66.3 | 164.8 | 0 | 0 | 0 | 109.5 | A279 A280 A285 K286 E287 | A279-I283 WeakPolarHBondContact O-CG1 3.43Å; A279-I283 PolarHBondContact O-N 2.89Å; A279-I283 VanDerWaalsContact O-N 3.08Å; A280-I283 PolarHBondContact O-N 2.92Å; A280-I283 VanDerWaalsContact O-N 3.15Å; I283-A285 VanDerWaalsContact C-N 3.35Å; I283-A285 PolarHBondContact O-N 3.03Å; I283-K286 WeakPolarHBondContact O-CB 3.27Å; I283-K286 PolarHBondContact O-N 3.37Å; I283-K286 VanDerWaalsContact O-N 3.1Å; I283-E287 PolarHBondContact O-N 3.32Å |
| 284 | V | 77.7 | Confident | 66.6 | Low | 73 Ų | 73 | 110.5 Ų | 110.5 | 44% | 0.442 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.8 | -44.3 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | A280 L281 K286 E287 L288 | A280-V284 WeakPolarHBondContact O-CG2 3.34Å; A280-V284 PolarHBondContact O-N 3.37Å; L281-V284 PolarHBondContact O-N 2.98Å; V284-K286 VanDerWaalsContact C-N 3.28Å; V284-K286 PolarHBondContact O-N 3.4Å; V284-E287 PolarHBondContact O-N 3.25Å; V284-L288 HydrophobicContact CG1-CD1 4.08Å; V284-L288 HydrophobicContact CG1-CG 4.47Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 3.12Å |
| 285 | A | 76.7 | Confident | 66.9 | Low | 50 Ų | 50 | 106.4 Ų | 106.4 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.3 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L281 I283 Y289 | L281-A285 VanDerWaalsContact O-CB 3.28Å; L281-A285 WeakPolarHBondContact O-CB 3.46Å; L281-A285 PolarHBondContact O-N 3.1Å; I283-A285 VanDerWaalsContact C-N 3.35Å; I283-A285 PolarHBondContact O-N 3.03Å; A285-Y289 PolarHBondContact O-N 3.39Å |
| 286 | K | 75.6 | Confident | 67.2 | Low | 152 Ų | 152 | 105.1 Ų | 105.1 | 66% | 0.661 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.9 | -38.9 | 176.3 | -170.2 | 173.1 | -177.6 | 178.6 | 0 | 112 | K282 I283 V284 Y289 C290 | K282-K286 WeakPolarHBondContact O-CB 3.35Å; K282-K286 PolarHBondContact O-N 3.05Å; I283-K286 WeakPolarHBondContact O-CB 3.27Å; I283-K286 PolarHBondContact O-N 3.37Å; I283-K286 VanDerWaalsContact O-N 3.1Å; V284-K286 VanDerWaalsContact C-N 3.28Å; V284-K286 PolarHBondContact O-N 3.4Å; K286-Y289 PolarHBondContact O-N 3.1Å; K286-C290 WeakPolarHBondContact O-CB 3.38Å; K286-C290 PolarHBondContact O-N 3.37Å |
| 287 | E | 73.7 | Confident | 67.4 | Low | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.1 | -44.4 | 176.2 | -72.1 | 178.6 | 172.1 | 0 | 0 | 111.8 | I283 V284 Y289 C290 S291 | I283-E287 PolarHBondContact O-N 3.32Å; V284-E287 PolarHBondContact O-N 3.25Å; E287-Y289 VanDerWaalsContact C-N 3.28Å; E287-Y289 PolarHBondContact O-N 2.85Å; E287-C290 PolarHBondContact O-N 2.71Å; E287-C290 VanDerWaalsContact O-N 3.16Å; E287-S291 PolarHBondContact O-N 3.27Å; E287-S291 VanDerWaalsContact O-N 3.07Å; E287-S291 PolarHBondContact O-OG 3.11Å |
| 288 | L | 74.3 | Confident | 67.5 | Low | 119 Ų | 119 | 105.8 Ų | 105.8 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.4 | -34.3 | 176.5 | -68.1 | 171.4 | 0 | 0 | 0 | 112.7 | V284 S291 | V284-L288 HydrophobicContact CG1-CD1 4.08Å; V284-L288 HydrophobicContact CG1-CG 4.47Å; V284-L288 WeakPolarHBondContact O-CG 3.49Å; V284-L288 PolarHBondContact O-N 3.12Å; L288-S291 PolarHBondContact O-OG 2.94Å |
| 289 | Y | 65.1 | Low | 67.7 | Low | 201 Ų | 201 | 109.6 Ų | 109.6 | 79% | 0.788 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.1 | -30.3 | 175.5 | -102.6 | -90.7 | 0 | 0 | 0 | 113.2 | A285 K286 E287 | A285-Y289 PolarHBondContact O-N 3.39Å; K286-Y289 PolarHBondContact O-N 3.1Å; E287-Y289 VanDerWaalsContact C-N 3.28Å; E287-Y289 PolarHBondContact O-N 2.85Å |
| 290 | C | 61.9 | Low | 67.6 | Low | 97 Ų | 97 | 113.6 Ų | 113.6 | 66% | 0.655 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.5 | -24.8 | 178 | -80 | 0 | 0 | 0 | 0 | 113.7 | K286 E287 G292 | K286-C290 WeakPolarHBondContact O-CB 3.38Å; K286-C290 PolarHBondContact O-N 3.37Å; E287-C290 PolarHBondContact O-N 2.71Å; E287-C290 VanDerWaalsContact O-N 3.16Å; C290-G292 VanDerWaalsContact C-N 3.35Å |
| 291 | S | 63.6 | Low | 67.3 | Low | 99 Ų | 99 | 118.1 Ų | 118.1 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 0.1 | 176.2 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | E287 L288 | E287-S291 PolarHBondContact O-N 3.27Å; E287-S291 VanDerWaalsContact O-N 3.07Å; E287-S291 PolarHBondContact O-OG 3.11Å; L288-S291 PolarHBondContact O-OG 2.94Å |
| 292 | G | 55.2 | Low | 66.8 | Low | 58 Ų | 58 | 117.8 Ų | 117.8 | 60% | 0.598 | 67% | 0.666 | S | S | * | * | trans | -111.9 | 18.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | C290 | C290-G292 VanDerWaalsContact C-N 3.35Š| ||
| 293 | S | 47.4 | Very low | 66.2 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | trans | -83 | 125.4 | 170.9 | -81 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 294 | P | 49.8 | Very low | 65.5 | Low | 197 Ų | 197 | 115.9 Ų | 115.9 | 100% | 1.279 | 68% | 0.678 | S | S | * | * | trans | -69.7 | 0 | -179.8 | 30.2 | -35.1 | 0 | 0 | 0 | 113.5 |
Retrieved 294 of 294 residues in 150.8 ms
(Link to these results)