| 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 | 34.2 | Very low | 31.2 | Very low | 250 Ų | 250 | 151.5 Ų | 151.5 | 100% | 1.232 | 86% | 0.859 | S | S | * | * | 0 | 145.6 | 0 | -73.1 | 171.3 | 170.9 | 0 | 0 | 108.5 | |||||
| 2 | R | 29.4 | Very low | 31.3 | Very low | 248 Ų | 248 | 152.6 Ų | 152.6 | 94% | 0.936 | 86% | 0.859 | S | S | * | * | trans | -81.6 | 149.2 | -179.6 | -72 | 177.5 | 173.3 | 172.3 | -3.6 | 111.1 | ||||
| 3 | G | 27.8 | Very low | 32 | Very low | 78 Ų | 78 | 151.2 Ų | 151.2 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -156.2 | 73.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | T | 30.5 | Very low | 32.1 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 76% | 0.755 | 85% | 0.852 | S | S | * | * | trans | -79.6 | 117.4 | -175.4 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | L | 28 | Very low | 32 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | trans | -95.4 | 113.1 | 163.8 | -95.8 | 156.2 | 0 | 0 | 0 | 108.8 | ||||
| 6 | T | 29 | Very low | 32 | Very low | 104 Ų | 104 | 152.8 Ų | 152.8 | 64% | 0.638 | 85% | 0.845 | S | S | * | * | trans | -97.9 | 124.8 | 178 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 7 | P | 34.3 | Very low | 31.9 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 80% | 0.799 | 85% | 0.847 | S | S | * | * | trans | -90.3 | 103.5 | 156.1 | 31.5 | -26.6 | 0 | 0 | 0 | 109.7 | S9 | P7-S9 PolarHBondContact O-N 3.17Š| ||
| 8 | L | 33.8 | Very low | 31.9 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 84% | 0.843 | 85% | 0.847 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 103.9 | 164.3 | -91.9 | 85.4 | 0 | 0 | 0 | 108.9 | ||
| 9 | S | 32.4 | Very low | 31.7 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161 | -26.3 | 156.9 | -161.1 | 0 | 0 | 0 | 0 | 113.8 | P7 L11 | P7-S9 PolarHBondContact O-N 3.17Å; S9-L11 PolarHBondContact O-N 3.12Å |
| 10 | S | 32.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -86.4 | 5 | -176.1 | -55.1 | 0 | 0 | 0 | 0 | 116.1 | L12 | S10-L12 PolarHBondContact O-N 3.47Š|
| 11 | L | 31.2 | Very low | 31.5 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 90% | 0.895 | 84% | 0.839 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 53.2 | -171.9 | -157.3 | 77.8 | 0 | 0 | 0 | 113.8 | S9 | S9-L11 PolarHBondContact O-N 3.12Š|
| 12 | L | 33 | Very low | 31.7 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.7 | 30.3 | 163.8 | -151.3 | 77 | 0 | 0 | 0 | 114.9 | S10 | S10-L12 PolarHBondContact O-N 3.47Š|
| 13 | L | 40.7 | Very low | 31.6 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 71% | 0.707 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -157.3 | 60.3 | 161.8 | -144.1 | 74.3 | 0 | 0 | 0 | 114.1 | ||
| 14 | L | 32.6 | Very low | 31.6 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -146.8 | 93.5 | 164.5 | -154.4 | 76.8 | 0 | 0 | 0 | 111 | ||||
| 15 | L | 31.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | trans | -106.9 | 125.8 | 173.5 | -116.1 | 161.7 | 0 | 0 | 0 | 109.8 | ||||
| 16 | L | 31.8 | Very low | 31.7 | Very low | 137 Ų | 137 | 137 Ų | 137 | 72% | 0.717 | 83% | 0.825 | S | S | * | * | trans | -33.4 | 135.1 | -176.9 | -74.1 | 109 | 0 | 0 | 0 | 117.5 | L18 | L16-L18 HydrophobicContact CD2-CD1 4.47Š| ||
| 17 | V | 30.4 | Very low | 31.6 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | trans | -134 | 115.6 | 131.8 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 18 | L | 31.9 | Very low | 31.4 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | trans | -111 | 128.4 | 164.1 | -97.3 | 164.8 | 0 | 0 | 0 | 106.7 | L16 | L16-L18 HydrophobicContact CD2-CD1 4.47Š| ||
| 19 | G | 27.6 | Very low | 31.1 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 84% | 0.84 | S | S | * | * | trans | 157.9 | 119.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 20 | C | 27.4 | Very low | 31 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 90% | 0.899 | 84% | 0.844 | S | S | * | * | trans | 55.1 | 97.1 | 146.7 | -59.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 21 | G | 32.1 | Very low | 30.8 | Very low | 79 Ų | 79 | 128.5 Ų | 128.5 | 81% | 0.814 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 144.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 22 | P | 37.2 | Very low | 30.7 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 152.1 | 167.8 | 34.2 | -29.4 | 0 | 0 | 0 | 113 | ||
| 23 | R | 28 | Very low | 30.6 | Very low | 246 Ų | 246 | 121.6 Ų | 121.6 | 93% | 0.928 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 150.5 | -178.4 | -67.9 | 163.8 | 167.1 | 162.6 | -5.5 | 115.4 | ||
| 24 | A | 28.8 | Very low | 30.1 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 87% | 0.868 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 145.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 25 | S | 28.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -129.7 | 124.7 | 161.9 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 26 | S | 29.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 86% | 0.86 | 85% | 0.845 | S | S | * | * | trans | -89.3 | 125 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 27 | G | 28.8 | Very low | 29.8 | Very low | 77 Ų | 77 | 116.1 Ų | 116.1 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | trans | -150.8 | 106.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 28 | G | 28.5 | Very low | 29.8 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 92% | 0.918 | 84% | 0.843 | S | S | * | * | trans | -86.4 | 150.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 29 | G | 28.1 | Very low | 29.7 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | trans | -165.1 | 127.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 30 | A | 29.9 | Very low | 29.8 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | trans | -109 | 160.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 31 | G | 28.7 | Very low | 29.9 | Very low | 83 Ų | 83 | 122.4 Ų | 122.4 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | trans | 119.4 | 137.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 32 | G | 29.1 | Very low | 30 | Very low | 84 Ų | 84 | 126 Ų | 126 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | trans | 128.8 | 82.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 33 | A | 30.2 | Very low | 29.7 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -97.4 | 131.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 34 | A | 30.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -159.5 | 127.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 35 | G | 29.1 | Very low | 29.9 | Very low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | -107 | 154.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 36 | Y | 30.6 | Very low | 30.1 | Very low | 241 Ų | 241 | 128.8 Ų | 128.8 | 95% | 0.945 | 83% | 0.831 | S | S | * | * | trans | -143.2 | 152.8 | 162.2 | -92.9 | -78.5 | 0 | 0 | 0 | 110.9 | ||||
| 37 | A | 30.6 | Very low | 30.6 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 157.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V39 | A37-V39 PolarHBondContact O-N 3.44Š|
| 38 | P | 30.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 132 Ų | 132 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 117.5 | 177.6 | 31 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 39 | V | 30.2 | Very low | 31 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 117.1 | 170.4 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | A37 Y41 | A37-V39 PolarHBondContact O-N 3.44Å; V39-Y41 HydrophobicContact CG1-CD2 4.04Å; V39-Y41 HydrophobicContact CG1-CE2 4.12Å; V39-Y41 PolarHBondContact O-N 3.48Å |
| 40 | K | 30 | Very low | 31.5 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 122.5 | 167.7 | -73.9 | 177.3 | 176.1 | 175.7 | 0 | 109.6 | ||
| 41 | Y | 28 | Very low | 31.7 | Very low | 194 Ų | 194 | 134.4 Ų | 134.4 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | -105.1 | 114.9 | 158.5 | -102 | -88.6 | 0 | 0 | 0 | 109.9 | V39 Q43 | V39-Y41 HydrophobicContact CG1-CD2 4.04Å; V39-Y41 HydrophobicContact CG1-CE2 4.12Å; V39-Y41 PolarHBondContact O-N 3.48Å; Y41-Q43 HydrophobicContact CD1-CG 4.46Å | ||
| 42 | I | 34.9 | Very low | 32.2 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -99.7 | 126.3 | 163.4 | -65.8 | 170.8 | 0 | 0 | 0 | 105.9 | ||||
| 43 | Q | 30.3 | Very low | 32.5 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -134.4 | 155.5 | 167.1 | -84.1 | -156.2 | 1.3 | 0 | 0 | 111.1 | Y41 | Y41-Q43 HydrophobicContact CD1-CG 4.46Š| ||
| 44 | P | 33.4 | Very low | 32.7 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -88.4 | 151.3 | -146.5 | -9.1 | 27.3 | 0 | 0 | 0 | 114 | Q46 | P44-Q46 PolarHBondContact O-N 3.31Å; P44-Q46 VanDerWaalsContact O-N 3.1Å | ||
| 45 | M | 29.5 | Very low | 32.8 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | -65.6 | 107.4 | 167.1 | -70.9 | 177.6 | 66.9 | 0 | 0 | 110.8 | ||||
| 46 | Q | 32.8 | Very low | 33.3 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -86.4 | 119 | 164.5 | -142.1 | 173.6 | 47.9 | 0 | 0 | 108.6 | P44 G48 | P44-Q46 PolarHBondContact O-N 3.31Å; P44-Q46 VanDerWaalsContact O-N 3.1Å; Q46-G48 PolarHBondContact O-N 3.24Å | ||
| 47 | K | 39.7 | Very low | 33.3 | Very low | 204 Ų | 204 | 147.6 Ų | 147.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -70.2 | 109.9 | 177 | -82.3 | -179.1 | 172.5 | 177.8 | 0 | 110.1 | ||||
| 48 | G | 31.7 | Very low | 33.4 | Very low | 63 Ų | 63 | 153.5 Ų | 153.5 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 158.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q46 | Q46-G48 PolarHBondContact O-N 3.24Š|
| 49 | P | 33.8 | Very low | 33.5 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 151.9 | -168.2 | 28.3 | -35.4 | 0 | 0 | 0 | 114.1 | G51 | P49-G51 PolarHBondContact O-N 3.14Š|
| 50 | V | 38.5 | Very low | 33.4 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 87% | 0.873 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 124.8 | 172.5 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 51 | G | 34.1 | Very low | 33.5 | Very low | 59 Ų | 59 | 156.1 Ų | 156.1 | 61% | 0.608 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P49 | P49-G51 PolarHBondContact O-N 3.14Š|
| 52 | P | 40.1 | Very low | 33.6 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 154.9 | 179.8 | 29.8 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 53 | P | 35.1 | Very low | 33.5 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 158.1 | -177.4 | 30.1 | -35.6 | 0 | 0 | 0 | 113 | ||
| 54 | F | 33.3 | Very low | 33.7 | Very low | 210 Ų | 210 | 155.7 Ų | 155.7 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 137.4 | 178.8 | -102.6 | -113.3 | 0 | 0 | 0 | 113.9 | ||
| 55 | R | 33.2 | Very low | 33.9 | Very low | 238 Ų | 238 | 155.8 Ų | 155.8 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | -134.5 | 117 | 161.4 | -158.8 | 179.8 | -161.5 | -171.8 | 5.7 | 108.5 | G57 | R55-G57 PolarHBondContact O-N 3.22Š| ||
| 56 | E | 38.6 | Very low | 34.2 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -66.6 | 101.4 | 177.3 | -68.4 | -177.1 | 140.6 | 0 | 0 | 110.4 | ||||
| 57 | G | 31.1 | Very low | 34.6 | Very low | 72 Ų | 72 | 151.2 Ų | 151.2 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | -94.7 | 109.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | R55 G59 | R55-G57 PolarHBondContact O-N 3.22Å; G57-G59 PolarHBondContact O-N 3.21Å; G57-G59 VanDerWaalsContact O-N 3.15Å | ||
| 58 | K | 32.7 | Very low | 34.4 | Very low | 210 Ų | 210 | 149.7 Ų | 149.7 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | trans | -65.5 | 111.4 | 170.7 | -66.2 | -178.9 | 179.9 | -179.4 | 0 | 109 | Q60 | K58-Q60 PolarHBondContact O-N 3.37Š| ||
| 59 | G | 32.6 | Very low | 34.6 | Very low | 74 Ų | 74 | 154.2 Ų | 154.2 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 126.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G57 | G57-G59 PolarHBondContact O-N 3.21Å; G57-G59 VanDerWaalsContact O-N 3.15Å |
| 60 | Q | 28.9 | Very low | 35 | Very low | 193 Ų | 193 | 154 Ų | 154 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 127.6 | 164.3 | -72.8 | 176.2 | -57.7 | 0 | 0 | 109 | K58 | K58-Q60 PolarHBondContact O-N 3.37Š|
| 61 | Y | 31.1 | Very low | 35 | Very low | 230 Ų | 230 | 155.7 Ų | 155.7 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 130.1 | 168.2 | -104.1 | -107.4 | 0 | 0 | 0 | 109.5 | ||
| 62 | L | 30.1 | Very low | 35.6 | Very low | 155 Ų | 155 | 160.8 Ų | 160.8 | 81% | 0.812 | 85% | 0.846 | S | S | * | * | trans | -107.3 | 99.1 | 167.1 | -146.5 | 82 | 0 | 0 | 0 | 108.2 | ||||
| 63 | E | 33.5 | Very low | 35.8 | Very low | 182 Ų | 182 | 163.4 Ų | 163.4 | 85% | 0.85 | 85% | 0.853 | S | S | * | * | trans | -86.7 | 130.8 | 174.9 | -171.3 | 174.2 | 177 | 0 | 0 | 109.3 | ||||
| 64 | M | 33.4 | Very low | 35.8 | Very low | 163 Ų | 163 | 167.1 Ų | 167.1 | 80% | 0.803 | 86% | 0.856 | S | S | * | * | trans | -124 | 111.5 | -175.1 | -156.4 | 179.1 | -60.6 | 0 | 0 | 109.6 | ||||
| 65 | P | 38.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 160.1 Ų | 160.1 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 152.8 | -172.9 | 32.2 | -34.9 | 0 | 0 | 0 | 113.6 | ||
| 66 | L | 35.9 | Very low | 37.3 | Very low | 164 Ų | 164 | 157.9 Ų | 157.9 | 86% | 0.859 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 146.1 | 174.5 | -71.2 | 161.4 | 0 | 0 | 0 | 112.1 | ||
| 67 | P | 40.4 | Very low | 38.1 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 141.6 | 176.6 | 30.9 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 68 | L | 36.2 | Very low | 39.3 | Very low | 171 Ų | 171 | 154.1 Ų | 154.1 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 141.8 | 175.7 | -71.4 | 161.7 | 0 | 0 | 0 | 111.5 | ||
| 69 | L | 35.1 | Very low | 40.5 | Very low | 158 Ų | 158 | 150 Ų | 150 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 152.3 | 163.5 | -70.2 | 175 | 0 | 0 | 0 | 110.4 | ||
| 70 | P | 42.5 | Very low | 42.1 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 134.9 | 179.2 | 5.6 | 6.6 | 0 | 0 | 0 | 111.8 | ||
| 71 | M | 38 | Very low | 43.4 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -105.3 | 123.1 | 170.1 | -75.5 | -175 | 164.6 | 0 | 0 | 110.2 | ||||
| 72 | D | 47.6 | Very low | 44.5 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -144.7 | 80.5 | 159.7 | -100.9 | -42.4 | 0 | 0 | 0 | 110.4 | ||||
| 73 | L | 44.7 | Very low | 46.4 | Very low | 179 Ų | 179 | 144 Ų | 144 | 94% | 0.937 | 82% | 0.823 | S | S | * | * | trans | -165.1 | 100.8 | 158.7 | -110.3 | 152.2 | 0 | 0 | 0 | 109.4 | G75 | L73-G75 PolarHBondContact O-N 3.38Š| ||
| 74 | K | 35.5 | Very low | 47.5 | Very low | 204 Ų | 204 | 138.5 Ų | 138.5 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -84.8 | 101.5 | -175.1 | -176.2 | -176.4 | 179.4 | -173.8 | 0 | 110.8 | ||||
| 75 | G | 49.5 | Very low | 48.7 | Very low | 64 Ų | 64 | 137.1 Ų | 137.1 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 146.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L73 | L73-G75 PolarHBondContact O-N 3.38Š|
| 76 | E | 47.9 | Very low | 50.2 | Low | 191 Ų | 191 | 142.9 Ų | 142.9 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 140.6 | 177.4 | -64.9 | -162 | 132.4 | 0 | 0 | 112 | G78 | E76-G78 PolarHBondContact O-N 3.35Š|
| 77 | P | 54.6 | Low | 51.2 | Low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.6 | 177.3 | -21.5 | 33.5 | 0 | 0 | 0 | 112.5 | ||
| 78 | G | 56.5 | Low | 52 | Low | 61 Ų | 61 | 137.6 Ų | 137.6 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 151.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E76 | E76-G78 PolarHBondContact O-N 3.35Š|
| 79 | P | 57.4 | Low | 53.8 | Low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 141.5 | -174.6 | 25.3 | -34.3 | 0 | 0 | 0 | 112.1 | G81 | P79-G81 PolarHBondContact O-N 3.39Š|
| 80 | P | 65.8 | Low | 54.9 | Low | 127 Ų | 127 | 130.8 Ų | 130.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135.4 | -179.3 | -27 | 35 | 0 | 0 | 0 | 113.5 | ||
| 81 | G | 56.7 | Low | 55.5 | Low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 138.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | P79 | P79-G81 PolarHBondContact O-N 3.39Š|
| 82 | K | 55.7 | Low | 57.1 | Low | 200 Ų | 200 | 128 Ų | 128 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 135.8 | -178.4 | -62.1 | -176.4 | -177.2 | -178.3 | 0 | 110.5 | G84 | K82-G84 PolarHBondContact O-N 3.24Š|
| 83 | P | 69.5 | Low | 57.4 | Low | 129 Ų | 129 | 123.5 Ų | 123.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 138.3 | 175.8 | -26.8 | 35 | 0 | 0 | 0 | 112.3 | ||
| 84 | G | 55.6 | Low | 57.8 | Low | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K82 R86 | K82-G84 PolarHBondContact O-N 3.24Å; G84-R86 PolarHBondContact O-N 2.93Å |
| 85 | P | 58.4 | Low | 59.3 | Low | 134 Ų | 134 | 120.8 Ų | 120.8 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 136.4 | -178.6 | 26.1 | -34 | 0 | 0 | 0 | 111.4 | G87 | P85-G87 PolarHBondContact O-N 3.06Š|
| 86 | R | 71.4 | Confident | 59.6 | Low | 240 Ų | 240 | 121.3 Ų | 121.3 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128.7 | 176.8 | -178.8 | 177.3 | 174.9 | -177.9 | -1.2 | 110 | G84 | G84-R86 PolarHBondContact O-N 2.93Š|
| 87 | G | 56.5 | Low | 59.7 | Low | 54 Ų | 54 | 121.8 Ų | 121.8 | 56% | 0.557 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 150.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P85 | P85-G87 PolarHBondContact O-N 3.06Š|
| 88 | P | 57.3 | Low | 59.8 | Low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146.2 | -177.4 | 26.2 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 89 | P | 74.8 | Confident | 59.3 | Low | 122 Ų | 122 | 122.8 Ų | 122.8 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 141.6 | 174.6 | -23.6 | 34 | 0 | 0 | 0 | 112.1 | ||
| 90 | G | 57.3 | Low | 59.2 | Low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 149.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 91 | P | 55.4 | Low | 58.3 | Low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 146.1 | 179.7 | 27 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 92 | P | 71.1 | Confident | 57.9 | Low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 141.4 | 175.6 | -24.3 | 34.2 | 0 | 0 | 0 | 112.5 | ||
| 93 | G | 54.2 | Low | 58 | Low | 72 Ų | 72 | 123.7 Ų | 123.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 94 | F | 52.4 | Low | 56.9 | Low | 203 Ų | 203 | 120.9 Ų | 120.9 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 138.8 | 179.4 | -68.3 | -78.8 | 0 | 0 | 0 | 111.8 | G96 | F94-G96 PolarHBondContact O-N 3.02Š|
| 95 | P | 68.1 | Low | 56.5 | Low | 123 Ų | 123 | 126.3 Ų | 126.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 133.9 | 175.3 | -25.6 | 34.7 | 0 | 0 | 0 | 112.5 | ||
| 96 | G | 56 | Low | 56.1 | Low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 139.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F94 | F94-G96 PolarHBondContact O-N 3.02Š|
| 97 | K | 49 | Very low | 55 | Low | 201 Ų | 201 | 120.7 Ų | 120.7 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 135.8 | 178.1 | -65.9 | -176.2 | 178.5 | -178.7 | 0 | 110.4 | G99 | K97-G99 PolarHBondContact O-N 3.2Š|
| 98 | P | 57.1 | Low | 54.4 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 131.4 | 174.9 | -24 | 34.1 | 0 | 0 | 0 | 112 | ||
| 99 | G | 45.4 | Very low | 54.4 | Low | 78 Ų | 78 | 127.3 Ų | 127.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 124.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | K97 G101 | K97-G99 PolarHBondContact O-N 3.2Å; G99-G101 PolarHBondContact O-N 3.17Å; G99-G101 VanDerWaalsContact O-N 3.13Å |
| 100 | T | 56.3 | Low | 53.2 | Low | 142 Ų | 142 | 124.7 Ų | 124.7 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -84 | 78.5 | 175.8 | 37.7 | 0 | 0 | 0 | 0 | 111.8 | K102 | T100-K102 PolarHBondContact O-N 3.21Š| ||
| 101 | G | 45.6 | Very low | 52.9 | Low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G99 | G99-G101 PolarHBondContact O-N 3.17Å; G99-G101 VanDerWaalsContact O-N 3.13Å |
| 102 | K | 48.1 | Very low | 53.1 | Low | 200 Ų | 200 | 127.3 Ų | 127.3 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 132.1 | 169.8 | -67.2 | -175 | 179.4 | -177.4 | 0 | 109.5 | T100 | T100-K102 PolarHBondContact O-N 3.21Š|
| 103 | P | 57.5 | Low | 52 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 141.4 | 175.9 | -23.6 | 34.2 | 0 | 0 | 0 | 112.6 | ||
| 104 | G | 47.8 | Very low | 51.7 | Low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 150.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 105 | L | 46.3 | Very low | 51.8 | Low | 179 Ų | 179 | 123.5 Ų | 123.5 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 135 | 177.2 | -72.1 | 164.3 | 0 | 0 | 0 | 110.9 | ||
| 106 | H | 51.3 | Low | 50.6 | Low | 189 Ų | 189 | 121.4 Ų | 121.4 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 134.9 | 176.3 | -105.9 | 58.5 | 0 | 0 | 0 | 111.6 | ||
| 107 | G | 46.5 | Very low | 50 | Low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 143.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 108 | Q | 45 | Very low | 49.8 | Very low | 191 Ų | 191 | 124.3 Ų | 124.3 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 137.5 | 179.4 | -66.7 | -169 | 2.5 | 0 | 0 | 111.7 | ||
| 109 | P | 57.3 | Low | 49 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.2 | 173.5 | -21.7 | 33.6 | 0 | 0 | 0 | 112.8 | ||
| 110 | G | 49.6 | Very low | 48.9 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 155 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 111 | P | 50.9 | Low | 48.2 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 144.9 | -176.2 | 28.5 | -34.8 | 0 | 0 | 0 | 112.9 | ||
| 112 | A | 58.7 | Low | 48 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 146 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 113 | G | 48.8 | Very low | 47.8 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 155.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 114 | P | 48 | Very low | 47 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 161.2 | -174.7 | 30.7 | -35.4 | 0 | 0 | 0 | 114.4 | ||
| 115 | P | 54.3 | Low | 47.2 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 145.6 | -161.8 | -6.7 | 26.3 | 0 | 0 | 0 | 115 | ||
| 116 | G | 42.6 | Very low | 47.6 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 139.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 117 | F | 44.9 | Very low | 47.1 | Very low | 215 Ų | 215 | 127.1 Ų | 127.1 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 139.7 | -173.3 | -82.4 | -103.2 | 0 | 0 | 0 | 114.5 | ||
| 118 | S | 43.1 | Very low | 47.2 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 140.1 | 170.9 | -54.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 119 | R | 40.5 | Very low | 47.7 | Very low | 257 Ų | 257 | 128.8 Ų | 128.8 | 97% | 0.97 | 83% | 0.834 | S | S | * | * | trans | -141.7 | 135.8 | 158 | -150.7 | 176.1 | -151 | -136.4 | 4.8 | 112.4 | ||||
| 120 | M | 44.9 | Very low | 47.4 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 94% | 0.941 | 83% | 0.831 | S | S | * | * | trans | -95.2 | 142.1 | -173.8 | 174.9 | 171.9 | 59.1 | 0 | 0 | 111.4 | ||||
| 121 | G | 40.9 | Very low | 47.5 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | trans | -162.3 | 95.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 122 | K | 41.4 | Very low | 47.8 | Very low | 209 Ų | 209 | 133.6 Ų | 133.6 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | 30.2 | 136 | 152.8 | -61.4 | -174.8 | 178.3 | -176.5 | 0 | 121.6 | ||||
| 123 | A | 42.7 | Very low | 47.5 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | trans | -76.6 | 153.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 124 | G | 42.3 | Very low | 47.9 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | trans | -137.4 | 167.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 125 | P | 50.9 | Low | 48.6 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -79.9 | 166.8 | -158.1 | 31.7 | -37.2 | 0 | 0 | 0 | 115.7 | G127 | P125-G127 PolarHBondContact O-N 3.43Š| ||
| 126 | P | 54.6 | Low | 48.4 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 90% | 0.903 | 83% | 0.829 | S | S | * | * | trans | -68.1 | 128.8 | -171.8 | -17.7 | 31.8 | 0 | 0 | 0 | 113.8 | ||||
| 127 | G | 42.5 | Very low | 48.8 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | trans | -104.5 | 155.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | P125 | P125-G127 PolarHBondContact O-N 3.43Š| ||
| 128 | L | 48.4 | Very low | 49.5 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 156.4 | -168.5 | -71.3 | 157.1 | 0 | 0 | 0 | 115.1 | G130 | L128-G130 PolarHBondContact O-N 3.49Š|
| 129 | P | 54 | Low | 49.8 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 118.9 | -179 | -23.6 | 34 | 0 | 0 | 0 | 113.8 | ||
| 130 | G | 51.7 | Low | 50.2 | Low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 137.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L128 | L128-G130 PolarHBondContact O-N 3.49Š|
| 131 | K | 51.3 | Low | 50.6 | Low | 211 Ų | 211 | 129 Ų | 129 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 141.7 | 177.5 | -64.5 | -178.7 | 179.4 | -179.3 | 0 | 110.6 | G133 | K131-G133 PolarHBondContact O-N 3.43Š|
| 132 | V | 58.2 | Low | 51 | Low | 145 Ų | 145 | 128.5 Ų | 128.5 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 124.4 | -179.9 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 133 | G | 52.2 | Low | 51.5 | Low | 53 Ų | 53 | 127.5 Ų | 127.5 | 55% | 0.546 | 81% | 0.814 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 150.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K131 | K131-G133 PolarHBondContact O-N 3.43Š|
| 134 | P | 57.5 | Low | 52.1 | Low | 125 Ų | 125 | 128.2 Ų | 128.2 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 143.3 | -178.7 | 26.3 | -34.4 | 0 | 0 | 0 | 111.5 | G136 | P134-G136 PolarHBondContact O-N 3.16Š|
| 135 | P | 61.9 | Low | 52.4 | Low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.2 | 177.8 | -26.3 | 35 | 0 | 0 | 0 | 112.7 | ||
| 136 | G | 49.8 | Very low | 52.5 | Low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 149.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P134 | P134-G136 PolarHBondContact O-N 3.16Š|
| 137 | Q | 50.5 | Low | 52.4 | Low | 192 Ų | 192 | 135.3 Ų | 135.3 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 134.3 | 179 | -71.5 | 179.9 | -7.1 | 0 | 0 | 111.1 | ||
| 138 | P | 60.5 | Low | 52.8 | Low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.6 | 174.4 | -26.1 | 35.2 | 0 | 0 | 0 | 112.4 | ||
| 139 | G | 49.7 | Very low | 52.8 | Low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 151.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R141 | G139-R141 PolarHBondContact O-N 2.88Š|
| 140 | L | 48.3 | Very low | 52.6 | Low | 179 Ų | 179 | 137.9 Ų | 137.9 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 129.3 | -177.9 | -69.8 | 167.7 | 0 | 0 | 0 | 111.5 | G142 | L140-G142 PolarHBondContact O-N 3.09Š|
| 141 | R | 52.8 | Low | 52.5 | Low | 241 Ų | 241 | 137.5 Ų | 137.5 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.2 | 176.2 | -174.9 | -179.4 | -174 | 177 | 2.9 | 109.5 | G139 | G139-R141 PolarHBondContact O-N 2.88Š|
| 142 | G | 49.8 | Very low | 52.2 | Low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 145.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L140 | L140-G142 PolarHBondContact O-N 3.09Š|
| 143 | E | 52.3 | Low | 51.9 | Low | 187 Ų | 187 | 139.9 Ų | 139.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.7 | -178.2 | -62.9 | -176.6 | 130.8 | 0 | 0 | 111.2 | G145 | E143-G145 PolarHBondContact O-N 3Š|
| 144 | P | 55.3 | Low | 52 | Low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 125.5 | 172.4 | -22.4 | 33.5 | 0 | 0 | 0 | 110.4 | I146 | P144-I146 PolarHBondContact O-N 3.34Š|
| 145 | G | 47.5 | Very low | 51.4 | Low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E143 R147 | E143-G145 PolarHBondContact O-N 3Å; G145-R147 PolarHBondContact O-N 3.45Å; G145-R147 VanDerWaalsContact O-N 3.12Å |
| 146 | I | 53.8 | Low | 51.2 | Low | 175 Ų | 175 | 139 Ų | 139 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 118.1 | 177.6 | 40.6 | 171.8 | 0 | 0 | 0 | 111 | P144 G148 | P144-I146 PolarHBondContact O-N 3.34Å; I146-G148 PolarHBondContact O-N 2.98Å; I146-G148 VanDerWaalsContact O-N 3.14Å |
| 147 | R | 53.3 | Low | 51.2 | Low | 234 Ų | 234 | 138.7 Ų | 138.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -62.8 | 115 | 176.7 | -172.5 | -175.1 | -154 | 172.4 | 7.6 | 107.9 | G145 D149 | G145-R147 PolarHBondContact O-N 3.45Å; G145-R147 VanDerWaalsContact O-N 3.12Å; R147-D149 PolarHBondContact O-N 3.26Å | ||
| 148 | G | 49.5 | Very low | 51 | Low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -52.4 | 134.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I146 Q150 | I146-G148 PolarHBondContact O-N 2.98Å; I146-G148 VanDerWaalsContact O-N 3.14Å; G148-Q150 PolarHBondContact O-N 3.34Å | ||
| 149 | D | 49.8 | Very low | 50.8 | Low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -55.2 | 128.3 | -173.7 | -59.8 | -44.9 | 0 | 0 | 0 | 110.7 | R147 G151 | R147-D149 PolarHBondContact O-N 3.26Å; D149-G151 PolarHBondContact O-N 3.28Å | ||
| 150 | Q | 48.3 | Very low | 50.7 | Low | 191 Ų | 191 | 135.1 Ų | 135.1 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -66.2 | 109.8 | 177.3 | -166.6 | 174.2 | 31.3 | 0 | 0 | 108.1 | G148 L152 | G148-Q150 PolarHBondContact O-N 3.34Å; Q150-L152 PolarHBondContact O-N 2.92Å | ||
| 151 | G | 50.8 | Low | 50.6 | Low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | -49 | 133 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D149 R153 | D149-G151 PolarHBondContact O-N 3.28Å; G151-R153 PolarHBondContact O-N 3.16Å | ||
| 152 | L | 44.3 | Very low | 50.6 | Low | 175 Ų | 175 | 129.2 Ų | 129.2 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -49.6 | 113.4 | -172.1 | -70.9 | 171.2 | 0 | 0 | 0 | 110.9 | Q150 G154 | Q150-L152 PolarHBondContact O-N 2.92Å; L152-G154 PolarHBondContact O-N 3.42Å; L152-G154 VanDerWaalsContact O-N 3.11Å | ||
| 153 | R | 52.4 | Low | 50.3 | Low | 231 Ų | 231 | 129 Ų | 129 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 118.1 | 175.4 | -176.8 | 179.1 | -178.1 | -179.4 | 1.1 | 108.3 | G151 | G151-R153 PolarHBondContact O-N 3.16Š|
| 154 | G | 53.2 | Low | 49.7 | Very low | 53 Ų | 53 | 126.6 Ų | 126.6 | 55% | 0.546 | 79% | 0.786 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 142.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L152 | L152-G154 PolarHBondContact O-N 3.42Å; L152-G154 VanDerWaalsContact O-N 3.11Å |
| 155 | P | 45.1 | Very low | 49 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 137.5 | -176.5 | 24 | -33.6 | 0 | 0 | 0 | 110.1 | G157 | P155-G157 PolarHBondContact O-N 3.21Š|
| 156 | P | 58.4 | Low | 48.6 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136.7 | 173.5 | -24.2 | 34 | 0 | 0 | 0 | 110.5 | ||
| 157 | G | 49.9 | Very low | 47.8 | Very low | 63 Ų | 63 | 126.5 Ų | 126.5 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 148.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P155 | P155-G157 PolarHBondContact O-N 3.21Š|
| 158 | P | 46.1 | Very low | 47.5 | Very low | 121 Ų | 121 | 121.3 Ų | 121.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59 | 140.4 | -178.9 | 25.1 | -34 | 0 | 0 | 0 | 110.6 | G160 | P158-G160 PolarHBondContact O-N 3.5Š|
| 159 | P | 56.3 | Low | 47 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 134.4 | 173.4 | -24.5 | 33.9 | 0 | 0 | 0 | 111.1 | ||
| 160 | G | 48.3 | Very low | 46.8 | Very low | 71 Ų | 71 | 124.3 Ų | 124.3 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 141.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P158 | P158-G160 PolarHBondContact O-N 3.5Š|
| 161 | L | 45.1 | Very low | 46.4 | Very low | 170 Ų | 170 | 118.7 Ų | 118.7 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.5 | 174.4 | -73.3 | 166 | 0 | 0 | 0 | 110 | G163 | L161-G163 PolarHBondContact O-N 3.28Å; L161-G163 VanDerWaalsContact O-N 3.16Å |
| 162 | P | 52.3 | Low | 46.1 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 119.9 | 176.8 | -25.6 | 34.7 | 0 | 0 | 0 | 111.5 | ||
| 163 | G | 45.1 | Very low | 46.3 | Very low | 60 Ų | 60 | 123 Ų | 123 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 142.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L161 | L161-G163 PolarHBondContact O-N 3.28Å; L161-G163 VanDerWaalsContact O-N 3.16Å |
| 164 | P | 39.9 | Very low | 46.1 | Very low | 135 Ų | 135 | 115.3 Ų | 115.3 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 145.1 | 173.2 | 28.1 | -34.3 | 0 | 0 | 0 | 111.1 | ||
| 165 | S | 40 | Very low | 45.9 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 132.5 | -171.6 | -46.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 166 | G | 39.5 | Very low | 46 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 82.1 | 143 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 167 | I | 36.9 | Very low | 45.7 | Very low | 174 Ų | 174 | 118 Ų | 118 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | cis | -136.3 | 156.1 | 24.7 | -72.8 | 162.6 | 0 | 0 | 0 | 111.5 | ||||
| 168 | T | 46.4 | Very low | 45.7 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | -74.8 | 141.1 | -174.4 | 49.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 169 | I | 38 | Very low | 46.4 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -164.9 | 150.6 | 139.4 | -98.8 | 148.9 | 0 | 0 | 0 | 108.3 | G171 | I169-G171 PolarHBondContact O-N 3.23Š| ||
| 170 | P | 45.8 | Very low | 46.2 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -72.9 | 114.6 | -159.5 | -20.9 | 34.7 | 0 | 0 | 0 | 115.5 | ||||
| 171 | G | 40.4 | Very low | 46.3 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 145.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I169 | I169-G171 PolarHBondContact O-N 3.23Š|
| 172 | K | 44.5 | Very low | 47 | Very low | 198 Ų | 198 | 118.5 Ų | 118.5 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 151.7 | 177.3 | -62.9 | 172 | -178.1 | 174.8 | 0 | 111.4 | G174 | K172-G174 PolarHBondContact O-N 3.24Š|
| 173 | P | 49.8 | Very low | 46.9 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 126.9 | 170.4 | -25.9 | 34.5 | 0 | 0 | 0 | 111 | ||
| 174 | G | 48.1 | Very low | 47 | Very low | 70 Ų | 70 | 123.3 Ų | 123.3 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 149.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | K172 Q176 | K172-G174 PolarHBondContact O-N 3.24Å; G174-Q176 PolarHBondContact O-N 3.26Å |
| 175 | A | 47.3 | Very low | 47.7 | Very low | 104 Ų | 104 | 126 Ų | 126 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G177 | A175-G177 PolarHBondContact O-N 3.28Š|
| 176 | Q | 47.5 | Very low | 48 | Very low | 182 Ų | 182 | 123.1 Ų | 123.1 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 124.6 | 179.6 | -178.2 | 176.2 | -10.7 | 0 | 0 | 109.3 | G174 V178 | G174-Q176 PolarHBondContact O-N 3.26Å; Q176-V178 PolarHBondContact O-N 3.29Å |
| 177 | G | 52.9 | Low | 48.6 | Very low | 59 Ų | 59 | 128.5 Ų | 128.5 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A175 | A175-G177 PolarHBondContact O-N 3.28Š|
| 178 | V | 50.2 | Low | 49.7 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 127 | 176 | -111.8 | 0 | 0 | 0 | 0 | 109.2 | Q176 G180 | Q176-V178 PolarHBondContact O-N 3.29Å; V178-G180 PolarHBondContact O-N 3.43Å |
| 179 | P | 59.5 | Low | 49.8 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54 | 135.3 | 176.1 | -27.2 | 35.3 | 0 | 0 | 0 | 110.7 | ||
| 180 | G | 52.4 | Low | 50.4 | Low | 61 Ų | 61 | 122 Ų | 122 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 150.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V178 | V178-G180 PolarHBondContact O-N 3.43Š|
| 181 | P | 51.1 | Low | 50.8 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 142.5 | 178 | 24.8 | -33.9 | 0 | 0 | 0 | 110.3 | G183 | P181-G183 PolarHBondContact O-N 3.29Š|
| 182 | P | 60.5 | Low | 51.1 | Low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 136.2 | 177.5 | -25.9 | 34.5 | 0 | 0 | 0 | 111.3 | ||
| 183 | G | 49.2 | Very low | 51.6 | Low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 143.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P181 Q185 | P181-G183 PolarHBondContact O-N 3.29Å; G183-Q185 PolarHBondContact O-N 3.33Å |
| 184 | F | 47.5 | Very low | 52.1 | Low | 212 Ų | 212 | 123.8 Ų | 123.8 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 129.2 | 176.3 | -69.9 | -82.2 | 0 | 0 | 0 | 110.3 | G186 | F184-G186 PolarHBondContact O-N 3.26Š|
| 185 | Q | 54 | Low | 52.4 | Low | 190 Ų | 190 | 123.5 Ų | 123.5 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 127.5 | 173.2 | -178.2 | 174.6 | -7.9 | 0 | 0 | 108.8 | G183 | G183-Q185 PolarHBondContact O-N 3.33Š|
| 186 | G | 47.5 | Very low | 52.8 | Low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 143.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | F184 | F184-G186 PolarHBondContact O-N 3.26Š|
| 187 | E | 50.6 | Low | 53.6 | Low | 186 Ų | 186 | 121.9 Ų | 121.9 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 142.2 | 177.3 | -67.4 | -173.9 | 113.7 | 0 | 0 | 110.8 | G189 | E187-G189 PolarHBondContact O-N 2.89Š|
| 188 | P | 59.8 | Low | 53.6 | Low | 128 Ų | 128 | 122.8 Ų | 122.8 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 131.8 | 173.1 | -24.7 | 34.5 | 0 | 0 | 0 | 110.9 | ||
| 189 | G | 49.1 | Very low | 53.7 | Low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 147.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | E187 Q191 | E187-G189 PolarHBondContact O-N 2.89Å; G189-Q191 PolarHBondContact O-N 3.48Å |
| 190 | P | 50 | Low | 53.4 | Low | 131 Ų | 131 | 130.4 Ų | 130.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 139.3 | -177.6 | 24.5 | -34 | 0 | 0 | 0 | 111.2 | G192 | P190-G192 PolarHBondContact O-N 3Š|
| 191 | Q | 54.1 | Low | 53 | Low | 191 Ų | 191 | 130.7 Ų | 130.7 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.9 | 177.1 | -179.2 | 176.7 | -18.2 | 0 | 0 | 110 | G189 | G189-Q191 PolarHBondContact O-N 3.48Š|
| 192 | G | 48.7 | Very low | 52.7 | Low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 143.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P190 | P190-G192 PolarHBondContact O-N 3Š|
| 193 | E | 53.8 | Low | 52.1 | Low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61 | 141 | -178.6 | -63.5 | -171.9 | 122.2 | 0 | 0 | 111.7 | G195 | E193-G195 PolarHBondContact O-N 3.09Š|
| 194 | P | 59.6 | Low | 51.9 | Low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 132.6 | 174.7 | -23.8 | 34.3 | 0 | 0 | 0 | 111.7 | ||
| 195 | G | 54.3 | Low | 52.1 | Low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 149.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E193 | E193-G195 PolarHBondContact O-N 3.09Š|
| 196 | P | 56.8 | Low | 51.8 | Low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 147.2 | -177.8 | 26 | -34.4 | 0 | 0 | 0 | 111.9 | G198 | P196-G198 PolarHBondContact O-N 3.43Š|
| 197 | P | 63.3 | Low | 51.5 | Low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 134.6 | 176.1 | -23.1 | 33.8 | 0 | 0 | 0 | 112 | ||
| 198 | G | 53.8 | Low | 51.4 | Low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 144.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P196 | P196-G198 PolarHBondContact O-N 3.43Š|
| 199 | D | 53.2 | Low | 50.7 | Low | 169 Ų | 169 | 127.9 Ų | 127.9 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.5 | -177.4 | -73.2 | -51.3 | 0 | 0 | 0 | 113.9 | G201 | D199-G201 PolarHBondContact O-N 3.19Š|
| 200 | R | 52.2 | Low | 50.7 | Low | 245 Ų | 245 | 133.6 Ų | 133.6 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -78.6 | 104.3 | -173.1 | -171 | 179.6 | -175.2 | -178.3 | 2.7 | 112.1 | ||||
| 201 | G | 43.8 | Very low | 50.8 | Low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 147.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D199 | D199-G201 PolarHBondContact O-N 3.19Š|
| 202 | L | 44.3 | Very low | 50.5 | Low | 178 Ų | 178 | 128.1 Ų | 128.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 151.7 | -164.8 | -68.5 | 163 | 0 | 0 | 0 | 114.7 | G204 | L202-G204 PolarHBondContact O-N 3.1Š|
| 203 | K | 47.7 | Very low | 50.7 | Low | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 120.2 | 170.9 | -176.1 | -164 | 174.8 | -146.5 | 0 | 110.1 | D205 | K203-D205 VanDerWaalsContact CE-OD1 3.26Å; K203-D205 WeakPolarHBondContact CE-OD1 3.17Å; K203-D205 IonicContact NZ-OD1 3.15Å; K203-D205 PolarHBondContact NZ-OD1 3.18Å; K203-D205 VanDerWaalsContact NZ-OD1 3.15Å |
| 204 | G | 45.4 | Very low | 51 | Low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | -126.5 | 141.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L202 | L202-G204 PolarHBondContact O-N 3.1Š| ||
| 205 | D | 52.5 | Low | 50.6 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 62% | 0.615 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -82.8 | 142.5 | -166.9 | -57 | -65.6 | 0 | 0 | 0 | 113.1 | K203 | K203-D205 VanDerWaalsContact CE-OD1 3.26Å; K203-D205 WeakPolarHBondContact CE-OD1 3.17Å; K203-D205 IonicContact NZ-OD1 3.15Å; K203-D205 PolarHBondContact NZ-OD1 3.18Å; K203-D205 VanDerWaalsContact NZ-OD1 3.15Å |
| 206 | H | 47.6 | Very low | 50.7 | Low | 199 Ų | 199 | 129 Ų | 129 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 60.1 | 99.8 | 176.1 | -57 | -75.8 | 0 | 0 | 0 | 118.1 | ||
| 207 | G | 40.5 | Very low | 50.9 | Low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 158.2 | 133.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G209 | G207-G209 PolarHBondContact O-N 3.11Š| ||
| 208 | V | 48.9 | Very low | 50.2 | Low | 157 Ų | 157 | 127 Ų | 127 | 95% | 0.952 | 82% | 0.816 | S | S | * | * | trans | -73.2 | 122.8 | -178 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 209 | G | 45.5 | Very low | 50 | Low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -125.4 | 127.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G207 | G207-G209 PolarHBondContact O-N 3.11Š| ||
| 210 | Q | 48.2 | Very low | 50 | Low | 184 Ų | 184 | 128.4 Ų | 128.4 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 146.7 | 178.1 | -69.7 | 175.7 | -8.8 | 0 | 0 | 111.5 | G212 | Q210-G212 PolarHBondContact O-N 3.39Š|
| 211 | P | 53.4 | Low | 49.9 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 130.9 | 170.5 | -21.9 | 33.7 | 0 | 0 | 0 | 112.1 | ||
| 212 | G | 47.6 | Very low | 50.3 | Low | 76 Ų | 76 | 121.8 Ų | 121.8 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 149.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q210 | Q210-G212 PolarHBondContact O-N 3.39Š|
| 213 | L | 53.3 | Low | 51.1 | Low | 169 Ų | 169 | 119.3 Ų | 119.3 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 150.2 | -176.4 | -73 | 161.4 | 0 | 0 | 0 | 113 | ||
| 214 | P | 60.3 | Low | 51 | Low | 122 Ų | 122 | 113.9 Ų | 113.9 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144 | 174.9 | -23.7 | 34.3 | 0 | 0 | 0 | 113.5 | ||
| 215 | G | 50.2 | Low | 51.5 | Low | 77 Ų | 77 | 116.6 Ų | 116.6 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 216 | A | 55.9 | Low | 51.5 | Low | 95 Ų | 95 | 117.2 Ų | 117.2 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 217 | P | 61.9 | Low | 51.3 | Low | 129 Ų | 129 | 111.4 Ų | 111.4 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 141.9 | 173.6 | -23.3 | 34 | 0 | 0 | 0 | 112.9 | ||
| 218 | G | 48.7 | Very low | 51.7 | Low | 80 Ų | 80 | 115.8 Ų | 115.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 141.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 219 | Q | 49.5 | Very low | 51.6 | Low | 201 Ų | 201 | 114.4 Ų | 114.4 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 128.3 | 175.9 | -76.3 | -178.9 | -26.3 | 0 | 0 | 111.6 | ||
| 220 | G | 53.6 | Low | 51.5 | Low | 75 Ų | 75 | 115.1 Ų | 115.1 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 221 | G | 49.1 | Very low | 51.1 | Low | 77 Ų | 77 | 111.7 Ų | 111.7 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -65 | 146.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 222 | A | 52 | Low | 50.5 | Low | 97 Ų | 97 | 110.5 Ų | 110.5 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 138.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 223 | P | 61.3 | Low | 50.1 | Low | 127 Ų | 127 | 110.5 Ų | 110.5 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146.1 | 170.7 | -22.8 | 34.3 | 0 | 0 | 0 | 113 | ||
| 224 | G | 46.1 | Very low | 49.3 | Very low | 68 Ų | 68 | 111.5 Ų | 111.5 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 152.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 225 | P | 56.4 | Low | 48.2 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 146.4 | -175.9 | 29.1 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 226 | P | 51.6 | Low | 47.8 | Very low | 127 Ų | 127 | 115.4 Ų | 115.4 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 146.9 | 174.5 | -20.9 | 33.3 | 0 | 0 | 0 | 113.7 | ||
| 227 | G | 44.1 | Very low | 47.7 | Very low | 77 Ų | 77 | 117.1 Ų | 117.1 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 143.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 228 | L | 48.8 | Very low | 46.7 | Very low | 169 Ų | 169 | 114.4 Ų | 114.4 | 89% | 0.885 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 144.7 | -177.9 | -71.6 | 165.9 | 0 | 0 | 0 | 112.9 | ||
| 229 | P | 45.9 | Very low | 46.3 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 140.5 | 173 | -17.8 | 31.9 | 0 | 0 | 0 | 113.2 | ||
| 230 | G | 43.6 | Very low | 46.4 | Very low | 85 Ų | 85 | 116.4 Ų | 116.4 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -86 | 139.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 231 | A | 39.7 | Very low | 45.8 | Very low | 112 Ų | 112 | 116.7 Ų | 116.7 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 168 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 232 | A | 40.9 | Very low | 46 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | -109.9 | 139 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 233 | G | 40.3 | Very low | 45.8 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | trans | 109.6 | 131.2 | 135.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 234 | L | 35.6 | Very low | 44.9 | Very low | 190 Ų | 190 | 120.2 Ų | 120.2 | 100% | 0.995 | 84% | 0.836 | S | S | * | * | trans | 94.4 | 123.8 | 145.2 | -152 | 75 | 0 | 0 | 0 | 120.5 | ||||
| 235 | G | 36.3 | Very low | 45.3 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | trans | 139.3 | 123.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 236 | K | 42.5 | Very low | 45.4 | Very low | 206 Ų | 206 | 121.9 Ų | 121.9 | 90% | 0.896 | 84% | 0.843 | S | S | * | * | trans | -134.6 | 179.6 | 167.8 | -45.6 | -179.5 | 178.9 | -178.5 | 0 | 108.1 | ||||
| 237 | P | 53.6 | Low | 45.3 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | cis | -138 | -179 | -13.2 | 39.8 | -21.3 | 0 | 0 | 0 | 116.4 | ||||
| 238 | G | 41.4 | Very low | 45.6 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | trans | 110 | 151.5 | 154 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 239 | L | 40.7 | Very low | 45.9 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 86% | 0.859 | 85% | 0.846 | S | S | * | * | cis | -158.8 | 171.6 | -15.7 | -120.6 | 170.9 | 0 | 0 | 0 | 108.9 | ||||
| 240 | D | 51.9 | Low | 46.4 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | -73.8 | 162.5 | -156.9 | -58.8 | -64.5 | 0 | 0 | 0 | 120.3 | ||||
| 241 | G | 40.8 | Very low | 46.7 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | 173.9 | 99.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 242 | L | 51.7 | Low | 47.5 | Very low | 176 Ų | 176 | 127.8 Ų | 127.8 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -92.6 | 140.8 | 172.3 | -70.5 | 163.6 | 0 | 0 | 0 | 111 | ||||
| 243 | P | 49.2 | Very low | 48.3 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | -150.8 | 171.2 | 88.5 | 37.7 | -19.1 | 0 | 0 | 0 | 114.3 | |||||
| 244 | G | 43 | Very low | 49.1 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | cis | -165.2 | 170.7 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P246 | G244-P246 WeakPolarHBondContact O-CD 3.36Š| ||
| 245 | A | 54.4 | Low | 50.5 | Low | 102 Ų | 102 | 124.6 Ų | 124.6 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 130.1 | -163 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 246 | P | 56.6 | Low | 51.4 | Low | 125 Ų | 125 | 124.4 Ų | 124.4 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80 | 132.1 | 150.9 | -9.7 | 28.7 | 0 | 0 | 0 | 109.6 | G244 | G244-P246 WeakPolarHBondContact O-CD 3.36Š|
| 247 | G | 50 | Low | 51.8 | Low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 155.6 | -157.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | K249 | G247-K249 PolarHBondContact O-N 3.32Š|
| 248 | D | 50.3 | Low | 52.3 | Low | 166 Ų | 166 | 120.5 Ų | 120.5 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 122 | 175.7 | -63.1 | -53.3 | 0 | 0 | 0 | 111.4 | G250 | D248-G250 PolarHBondContact O-N 3.24Š|
| 249 | K | 56.5 | Low | 53.2 | Low | 210 Ų | 210 | 119.9 Ų | 119.9 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -69.7 | 101.7 | 164.3 | -176.7 | 178.3 | -179.4 | 179.1 | 0 | 106.9 | G247 E251 | G247-K249 PolarHBondContact O-N 3.32Å; K249-E251 PolarHBondContact O-N 3.45Å | ||
| 250 | G | 55 | Low | 53.9 | Low | 61 Ų | 61 | 118.1 Ų | 118.1 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | trans | -42.4 | 129.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | D248 S252 | D248-G250 PolarHBondContact O-N 3.24Å; G250-S252 PolarHBondContact O-N 3.46Å | ||
| 251 | E | 50.3 | Low | 54.3 | Low | 194 Ų | 194 | 121.8 Ų | 121.8 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 126.3 | 178.2 | -67.8 | -169.4 | 132.6 | 0 | 0 | 109.8 | K249 G253 | K249-E251 PolarHBondContact O-N 3.45Å; E251-G253 PolarHBondContact O-N 3.44Å; E251-G253 VanDerWaalsContact O-N 3.09Å |
| 252 | S | 57.2 | Low | 54.9 | Low | 117 Ų | 117 | 120.8 Ų | 120.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.7 | 170.8 | -58.5 | 0 | 0 | 0 | 0 | 108.1 | G250 | G250-S252 PolarHBondContact O-N 3.46Š|
| 253 | G | 56.4 | Low | 54.9 | Low | 60 Ų | 60 | 121.1 Ų | 121.1 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 143.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | E251 | E251-G253 PolarHBondContact O-N 3.44Å; E251-G253 VanDerWaalsContact O-N 3.09Å |
| 254 | P | 58.3 | Low | 55.6 | Low | 119 Ų | 119 | 120.5 Ų | 120.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 135 | -174 | 21.4 | -33.2 | 0 | 0 | 0 | 110.1 | G256 | P254-G256 PolarHBondContact O-N 3.09Å; P254-G256 VanDerWaalsContact O-N 3.11Å |
| 255 | P | 64.3 | Low | 56.1 | Low | 126 Ų | 126 | 120.5 Ų | 120.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 123.5 | 180 | -28.9 | 35.1 | 0 | 0 | 0 | 110.5 | V257 | P255-V257 PolarHBondContact O-N 3.5Š|
| 256 | G | 55.6 | Low | 55.9 | Low | 71 Ų | 71 | 120.4 Ų | 120.4 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 125.3 | -176 | 0 | 0 | 0 | 0 | 0 | 110.2 | P254 P258 | P254-G256 PolarHBondContact O-N 3.09Å; P254-G256 VanDerWaalsContact O-N 3.11Å; G256-P258 WeakPolarHBondContact O-CD 3.49Å; G256-P258 VanDerWaalsContact O-N 3.12Å |
| 257 | V | 50.5 | Low | 55.8 | Low | 135 Ų | 135 | 121.2 Ų | 121.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 121 | -177 | -149.9 | 0 | 0 | 0 | 0 | 107.9 | P255 G259 | P255-V257 PolarHBondContact O-N 3.5Å; V257-G259 PolarHBondContact O-N 3.11Å |
| 258 | P | 64.3 | Low | 56.1 | Low | 120 Ų | 120 | 120.1 Ų | 120.1 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 118.6 | 175.6 | -26.5 | 35.4 | 0 | 0 | 0 | 108.2 | G256 | G256-P258 WeakPolarHBondContact O-CD 3.49Å; G256-P258 VanDerWaalsContact O-N 3.12Å |
| 259 | G | 59.8 | Low | 56.1 | Low | 60 Ų | 60 | 118.4 Ų | 118.4 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 140.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V257 R261 | V257-G259 PolarHBondContact O-N 3.11Å; G259-R261 PolarHBondContact O-N 3Å; G259-R261 VanDerWaalsContact O-N 3.09Å |
| 260 | P | 55.7 | Low | 55.9 | Low | 127 Ų | 127 | 117.4 Ų | 117.4 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 125.3 | -178.3 | 22.4 | -33.1 | 0 | 0 | 0 | 108.5 | G262 | P260-G262 PolarHBondContact O-N 3.33Š|
| 261 | R | 59.6 | Low | 55.7 | Low | 235 Ų | 235 | 117 Ų | 117 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -52.5 | 111.6 | 175.6 | 176.3 | -178.9 | -178.9 | 172.3 | 1.5 | 106.5 | G259 E263 | G259-R261 PolarHBondContact O-N 3Å; G259-R261 VanDerWaalsContact O-N 3.09Å; R261-E263 PolarHBondContact O-N 2.86Å | ||
| 262 | G | 54.7 | Low | 55.9 | Low | 60 Ų | 60 | 113.3 Ų | 113.3 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | trans | -50.2 | 132.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P260 | P260-G262 PolarHBondContact O-N 3.33Š| ||
| 263 | E | 51.6 | Low | 55.7 | Low | 183 Ų | 183 | 112.9 Ų | 112.9 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -51.3 | 132.5 | 173.7 | -65.8 | -168.9 | 137.9 | 0 | 0 | 108 | R261 G265 | R261-E263 PolarHBondContact O-N 2.86Å; E263-G265 PolarHBondContact O-N 2.91Å | ||
| 264 | P | 63 | Low | 54.9 | Low | 118 Ų | 118 | 113.6 Ų | 113.6 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | -52.9 | 114.4 | 174.2 | -24.9 | 34.2 | 0 | 0 | 0 | 108 | A266 | P264-A266 PolarHBondContact O-N 3.11Š| ||
| 265 | G | 54.3 | Low | 54.4 | Low | 68 Ų | 68 | 114.6 Ų | 114.6 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -50.4 | 132.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | E263 V267 | E263-G265 PolarHBondContact O-N 2.91Å; G265-V267 PolarHBondContact O-N 3.42Å; G265-V267 VanDerWaalsContact O-N 3.09Å | ||
| 266 | A | 49.1 | Very low | 53.2 | Low | 100 Ų | 100 | 116.7 Ų | 116.7 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -45.3 | 122.7 | -175 | 0 | 0 | 0 | 0 | 0 | 109.5 | P264 G268 | P264-A266 PolarHBondContact O-N 3.11Å; A266-G268 PolarHBondContact O-N 2.87Å | ||
| 267 | V | 55.9 | Low | 52.5 | Low | 141 Ų | 141 | 116.7 Ų | 116.7 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -53.3 | 111.1 | -177.2 | 174.6 | 0 | 0 | 0 | 0 | 107.3 | G265 | G265-V267 PolarHBondContact O-N 3.42Å; G265-V267 VanDerWaalsContact O-N 3.09Å | ||
| 268 | G | 55.8 | Low | 51.6 | Low | 52 Ų | 52 | 117.3 Ų | 117.3 | 54% | 0.536 | 77% | 0.766 | S | S | . | * | trans | -51.9 | 136.9 | 180 | 0 | 0 | 0 | 0 | 0 | 108.7 | A266 K270 | A266-G268 PolarHBondContact O-N 2.87Å; G268-K270 PolarHBondContact O-N 3.27Å | ||
| 269 | P | 51.3 | Low | 50.3 | Low | 129 Ų | 129 | 114.4 Ų | 114.4 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -51.8 | 121.9 | -174.5 | 21.6 | -33.1 | 0 | 0 | 0 | 108.3 | G271 | P269-G271 PolarHBondContact O-N 2.83Š| ||
| 270 | K | 51.4 | Low | 49 | Very low | 190 Ų | 190 | 118.3 Ų | 118.3 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -48.1 | 113.7 | -175.7 | 178 | -176.8 | 177.7 | -178.4 | 0 | 108 | G268 | G268-K270 PolarHBondContact O-N 3.27Š| ||
| 271 | G | 49.9 | Very low | 48.4 | Very low | 52 Ų | 52 | 118.3 Ų | 118.3 | 54% | 0.536 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 132.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P269 | P269-G271 PolarHBondContact O-N 2.83Š|
| 272 | P | 55.4 | Low | 47.5 | Very low | 117 Ų | 117 | 110.6 Ų | 110.6 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 136.5 | 174.2 | 24.3 | -32.7 | 0 | 0 | 0 | 108 | G274 | P272-G274 PolarHBondContact O-N 2.96Š|
| 273 | P | 52.8 | Low | 47.4 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 130.2 | 172.8 | -26.4 | 34.6 | 0 | 0 | 0 | 109.4 | V275 | P273-V275 PolarHBondContact O-N 3.47Å; P273-V275 VanDerWaalsContact O-N 3.14Å |
| 274 | G | 40.6 | Very low | 46.6 | Very low | 74 Ų | 74 | 109.1 Ų | 109.1 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | P272 D276 | P272-G274 PolarHBondContact O-N 2.96Å; G274-D276 PolarHBondContact O-N 3.22Å |
| 275 | V | 47.3 | Very low | 45.5 | Very low | 140 Ų | 140 | 106.8 Ų | 106.8 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -81.7 | 106.3 | 156.1 | -74.9 | 0 | 0 | 0 | 0 | 106.1 | P273 G277 | P273-V275 PolarHBondContact O-N 3.47Å; P273-V275 VanDerWaalsContact O-N 3.14Å; V275-G277 PolarHBondContact O-N 3.46Å; V275-G277 VanDerWaalsContact O-N 3.12Å | ||
| 276 | D | 38.5 | Very low | 45.4 | Very low | 170 Ų | 170 | 112.5 Ų | 112.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -59.7 | 118.1 | 168.9 | -83 | -34.7 | 0 | 0 | 0 | 108 | G274 | G274-D276 PolarHBondContact O-N 3.22Š| ||
| 277 | G | 40.4 | Very low | 45.1 | Very low | 71 Ų | 71 | 113.4 Ų | 113.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -79.4 | 145.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V275 | V275-G277 PolarHBondContact O-N 3.46Å; V275-G277 VanDerWaalsContact O-N 3.12Å | ||
| 278 | V | 32.6 | Very low | 44.6 | Very low | 149 Ų | 149 | 109.9 Ų | 109.9 | 90% | 0.903 | 78% | 0.776 | S | S | * | * | trans | -96.9 | 110.7 | 139.6 | -179 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 279 | G | 35.8 | Very low | 44.4 | Very low | 59 Ų | 59 | 113.9 Ų | 113.9 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | trans | -78.5 | -158.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 280 | V | 32.9 | Very low | 44.2 | Very low | 142 Ų | 142 | 117 Ų | 117 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | cis | -145.9 | -149.4 | 10.8 | -161.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 281 | P | 42.6 | Very low | 44.2 | Very low | 126 Ų | 126 | 110.6 Ų | 110.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -82 | 177.3 | -130 | 41.9 | -29.5 | 0 | 0 | 0 | 114.4 | ||||
| 282 | G | 40.8 | Very low | 44.2 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -173.9 | 161.5 | 3.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 283 | A | 52.4 | Low | 44.2 | Very low | 113 Ų | 113 | 114.5 Ų | 114.5 | 93% | 0.934 | 80% | 0.803 | S | S | * | * | trans | -76.9 | 147.2 | -160 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 284 | A | 35.3 | Very low | 44.1 | Very low | 99 Ų | 99 | 113 Ų | 113 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -131.9 | 135.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 285 | G | 39.9 | Very low | 44.4 | Very low | 70 Ų | 70 | 114.3 Ų | 114.3 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 45.2 | 109.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | P287 | G285-P287 WeakPolarHBondContact O-CD 3.49Š| ||
| 286 | L | 53.3 | Low | 45 | Very low | 188 Ų | 188 | 117.2 Ų | 117.2 | 98% | 0.984 | 81% | 0.812 | S | S | * | * | trans | -67.8 | 121.6 | 164.1 | -76.7 | 162.8 | 0 | 0 | 0 | 112.1 | ||||
| 287 | P | 41.7 | Very low | 45.6 | Very low | 119 Ų | 119 | 112.2 Ų | 112.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -115.3 | 123.6 | 170.8 | 13.7 | 10 | 0 | 0 | 0 | 112 | G285 | G285-P287 WeakPolarHBondContact O-CD 3.49Š| ||
| 288 | G | 45.2 | Very low | 46 | Very low | 66 Ų | 66 | 117.4 Ų | 117.4 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | 67.9 | 122.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q290 | G288-Q290 PolarHBondContact O-N 3.01Š| ||
| 289 | P | 53.2 | Low | 47.5 | Very low | 137 Ų | 137 | 116.3 Ų | 116.3 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 119.8 | 168 | 27.8 | -32.6 | 0 | 0 | 0 | 109.9 | ||
| 290 | Q | 45.8 | Very low | 48.5 | Very low | 195 Ų | 195 | 117 Ų | 117 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 137.2 | -180 | -171.4 | 172.9 | 3.8 | 0 | 0 | 110.7 | G288 | G288-Q290 PolarHBondContact O-N 3.01Š|
| 291 | G | 51.9 | Low | 49.3 | Very low | 55 Ų | 55 | 116.9 Ų | 116.9 | 57% | 0.567 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60 | 155.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S293 | G291-S293 PolarHBondContact O-N 2.83Š|
| 292 | P | 49.9 | Very low | 50.2 | Low | 131 Ų | 131 | 122.2 Ų | 122.2 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62 | 134.2 | -173.8 | 26 | -34.7 | 0 | 0 | 0 | 111.7 | G294 | P292-G294 PolarHBondContact O-N 3.15Š|
| 293 | S | 55.9 | Low | 51.3 | Low | 120 Ų | 120 | 121.2 Ų | 121.2 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54 | 136.8 | 173.7 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | G291 | G291-S293 PolarHBondContact O-N 2.83Š|
| 294 | G | 50.3 | Low | 51.4 | Low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 141.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P292 K296 | P292-G294 PolarHBondContact O-N 3.15Å; G294-K296 PolarHBondContact O-N 3Å |
| 295 | A | 47.3 | Very low | 52.5 | Low | 102 Ų | 102 | 122.7 Ų | 122.7 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G297 | A295-G297 PolarHBondContact O-N 3.01Š|
| 296 | K | 59.2 | Low | 53.2 | Low | 201 Ų | 201 | 122.6 Ų | 122.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 122.6 | 164.7 | 179.8 | -177.8 | -179.8 | -177.9 | 0 | 107.8 | G294 E298 | G294-K296 PolarHBondContact O-N 3Å; K296-E298 PolarHBondContact O-N 3.25Å |
| 297 | G | 51.8 | Low | 52.9 | Low | 66 Ų | 66 | 122.2 Ų | 122.2 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 132.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A295 | A295-G297 PolarHBondContact O-N 3.01Š|
| 298 | E | 48.7 | Very low | 53.2 | Low | 180 Ų | 180 | 124.2 Ų | 124.2 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 138.3 | -177.4 | -63.4 | -171.2 | 130.3 | 0 | 0 | 110.7 | K296 G300 | K296-E298 PolarHBondContact O-N 3.25Å; E298-G300 PolarHBondContact O-N 3.38Å |
| 299 | P | 64.7 | Low | 53.6 | Low | 126 Ų | 126 | 123.6 Ų | 123.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 124.1 | 164.9 | -20.8 | 32.8 | 0 | 0 | 0 | 109 | T301 | P299-T301 PolarHBondContact O-N 3.19Š|
| 300 | G | 56.6 | Low | 53.3 | Low | 74 Ų | 74 | 123.2 Ų | 123.2 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 135.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | E298 R302 | E298-G300 PolarHBondContact O-N 3.38Å; G300-R302 PolarHBondContact O-N 3.36Å |
| 301 | T | 49.8 | Very low | 53 | Low | 138 Ų | 138 | 120.7 Ų | 120.7 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 126.4 | -174.5 | 45.5 | 0 | 0 | 0 | 0 | 110.8 | P299 G303 | P299-T301 PolarHBondContact O-N 3.19Å; T301-G303 PolarHBondContact O-N 3.21Å |
| 302 | R | 61 | Low | 52.5 | Low | 238 Ų | 238 | 121.1 Ų | 121.1 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.9 | 174 | 179.9 | 178.2 | -179.3 | 170.1 | 0.8 | 108.2 | G300 | G300-R302 PolarHBondContact O-N 3.36Š|
| 303 | G | 62.8 | Low | 52.4 | Low | 52 Ų | 52 | 126.5 Ų | 126.5 | 54% | 0.536 | 79% | 0.793 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 147.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T301 | T301-G303 PolarHBondContact O-N 3.21Š|
| 304 | P | 54.2 | Low | 51.8 | Low | 122 Ų | 122 | 124.4 Ų | 124.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.1 | -177.8 | 23.8 | -33.8 | 0 | 0 | 0 | 110.2 | G306 | P304-G306 PolarHBondContact O-N 3.45Š|
| 305 | P | 60.3 | Low | 51.3 | Low | 122 Ų | 122 | 129.7 Ų | 129.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 125.3 | 176.8 | -24.6 | 33.7 | 0 | 0 | 0 | 110.4 | L307 | P305-L307 PolarHBondContact O-N 3.24Š|
| 306 | G | 54.5 | Low | 51.5 | Low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 137.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | P304 I308 | P304-G306 PolarHBondContact O-N 3.45Å; G306-I308 PolarHBondContact O-N 3.42Å |
| 307 | L | 46.9 | Very low | 51 | Low | 180 Ų | 180 | 124.8 Ų | 124.8 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 132.1 | 176.8 | -78 | 162.2 | 0 | 0 | 0 | 109.9 | P305 G309 | P305-L307 PolarHBondContact O-N 3.24Å; L307-G309 PolarHBondContact O-N 3.38Å |
| 308 | I | 47.3 | Very low | 50.8 | Low | 160 Ų | 160 | 129.6 Ų | 129.6 | 82% | 0.821 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 104.8 | -179.8 | -64.2 | 173 | 0 | 0 | 0 | 108.6 | G306 | G306-I308 PolarHBondContact O-N 3.42Š| ||
| 309 | G | 52.9 | Low | 51.5 | Low | 54 Ų | 54 | 127 Ų | 127 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 141.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L307 T311 | L307-G309 PolarHBondContact O-N 3.38Å; G309-T311 PolarHBondContact O-N 3.4Å |
| 310 | P | 47.9 | Very low | 51.2 | Low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 131.4 | -175.4 | 25.8 | -33.9 | 0 | 0 | 0 | 111.8 | G312 | P310-G312 PolarHBondContact O-N 3.01Š|
| 311 | T | 38.8 | Very low | 51 | Low | 141 Ų | 141 | 126.7 Ų | 126.7 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 117.1 | -172.5 | -40 | 0 | 0 | 0 | 0 | 112.5 | G309 | G309-T311 PolarHBondContact O-N 3.4Š|
| 312 | G | 41.7 | Very low | 51.4 | Low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -110.8 | 134.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P310 | P310-G312 PolarHBondContact O-N 3.01Š| ||
| 313 | Y | 47.9 | Very low | 51.1 | Low | 244 Ų | 244 | 121.4 Ų | 121.4 | 96% | 0.957 | 78% | 0.784 | S | S | * | * | trans | -49.2 | 135.5 | -174.1 | -65.1 | -99.2 | 0 | 0 | 0 | 115.9 | ||||
| 314 | G | 43.4 | Very low | 50.4 | Low | 75 Ų | 75 | 126.7 Ų | 126.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -174.4 | 144.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 315 | M | 39.7 | Very low | 50.6 | Low | 187 Ų | 187 | 132.5 Ų | 132.5 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 154.8 | -173.9 | -66.5 | -178.6 | 172.1 | 0 | 0 | 113.4 | G317 | M315-G317 PolarHBondContact O-N 3.36Š|
| 316 | P | 50.2 | Low | 50.4 | Low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 120.5 | 171 | -21.5 | 33.2 | 0 | 0 | 0 | 111.5 | ||
| 317 | G | 49.8 | Very low | 50.5 | Low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 158.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M315 | M315-G317 PolarHBondContact O-N 3.36Š|
| 318 | L | 48.5 | Very low | 51 | Low | 168 Ų | 168 | 128.6 Ų | 128.6 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 148.1 | 178.3 | -74.1 | 97.5 | 0 | 0 | 0 | 111.7 | G320 | L318-G320 PolarHBondContact O-N 3.3Š|
| 319 | P | 63 | Low | 51 | Low | 126 Ų | 126 | 124.6 Ų | 124.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127.2 | 169 | -24 | 34 | 0 | 0 | 0 | 110.9 | ||
| 320 | G | 57.3 | Low | 51 | Low | 63 Ų | 63 | 128.6 Ų | 128.6 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 149.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L318 K322 | L318-G320 PolarHBondContact O-N 3.3Å; G320-K322 PolarHBondContact O-N 3.39Å |
| 321 | P | 53.1 | Low | 51.6 | Low | 130 Ų | 130 | 128.2 Ų | 128.2 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 137.3 | 179.2 | 24.8 | -33.6 | 0 | 0 | 0 | 110.7 | G323 | P321-G323 PolarHBondContact O-N 3.14Š|
| 322 | K | 58.4 | Low | 52 | Low | 198 Ų | 198 | 125.4 Ų | 125.4 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.5 | 176.1 | -178.3 | -176.9 | 180 | -179.7 | 0 | 108.8 | G320 | G320-K322 PolarHBondContact O-N 3.39Š|
| 323 | G | 53.9 | Low | 52.2 | Low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 140 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | P321 | P321-G323 PolarHBondContact O-N 3.14Š|
| 324 | D | 48.8 | Very low | 52.4 | Low | 163 Ų | 163 | 127.3 Ų | 127.3 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146.5 | -175.8 | -71.8 | -59 | 0 | 0 | 0 | 112.7 | G326 | D324-G326 PolarHBondContact O-N 3.12Š|
| 325 | R | 58 | Low | 52.6 | Low | 244 Ų | 244 | 127 Ų | 127 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.7 | 178.1 | -175.5 | 177.9 | -177.1 | 169.8 | 0 | 108.7 | ||
| 326 | G | 56.6 | Low | 53.1 | Low | 59 Ų | 59 | 126.1 Ų | 126.1 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 144.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D324 | D324-G326 PolarHBondContact O-N 3.12Š|
| 327 | P | 55.6 | Low | 53 | Low | 132 Ų | 132 | 131.6 Ų | 131.6 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 150.4 | -173.2 | 25.1 | -34.2 | 0 | 0 | 0 | 112.2 | ||
| 328 | A | 58.1 | Low | 52.7 | Low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 144.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 329 | G | 48.4 | Very low | 52.8 | Low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 330 | V | 51.3 | Low | 52.2 | Low | 139 Ų | 139 | 133 Ų | 133 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 136.2 | 178.3 | -81 | 0 | 0 | 0 | 0 | 111.9 | ||
| 331 | P | 61.3 | Low | 51.5 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 149 | 167.9 | -22.7 | 34.6 | 0 | 0 | 0 | 112.3 | ||
| 332 | G | 47.4 | Very low | 51.6 | Low | 82 Ų | 82 | 137 Ų | 137 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 144.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 333 | L | 45.2 | Very low | 51.2 | Low | 181 Ų | 181 | 135.7 Ų | 135.7 | 95% | 0.948 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 145.5 | -177.2 | -70.6 | 164.7 | 0 | 0 | 0 | 112.8 | ||
| 334 | L | 52.1 | Low | 50.7 | Low | 169 Ų | 169 | 135.9 Ų | 135.9 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 139.7 | 168.6 | -174.5 | 70.1 | 0 | 0 | 0 | 109.1 | ||
| 335 | G | 48 | Very low | 50.9 | Low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 152.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 336 | D | 50.3 | Low | 51.1 | Low | 169 Ų | 169 | 132 Ų | 132 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 147.5 | -163.6 | -51 | -62.9 | 0 | 0 | 0 | 115.5 | ||
| 337 | R | 48.9 | Very low | 50.8 | Low | 245 Ų | 245 | 132.9 Ų | 132.9 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | trans | -143.3 | 92.6 | 165.9 | -171 | 178.8 | -177.9 | 176.4 | 0.9 | 112.4 | ||||
| 338 | G | 43.6 | Very low | 50.7 | Low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | trans | 57.6 | 105.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 339 | E | 50.5 | Low | 50.7 | Low | 199 Ų | 199 | 140.9 Ų | 140.9 | 93% | 0.93 | 85% | 0.85 | S | S | * | * | trans | -68.1 | 143.6 | 171.4 | -59.6 | 175.5 | 132.8 | 0 | 0 | 113.3 | ||||
| 340 | P | 48.6 | Very low | 51.1 | Low | 125 Ų | 125 | 140.1 Ų | 140.1 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | trans | -129 | 116.7 | 148.3 | 15.2 | 6.6 | 0 | 0 | 0 | 112.7 | ||||
| 341 | G | 42.8 | Very low | 51.2 | Low | 81 Ų | 81 | 140 Ų | 140 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | trans | 66.9 | 118.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 342 | E | 56.9 | Low | 51 | Low | 195 Ų | 195 | 143.6 Ų | 143.6 | 91% | 0.911 | 85% | 0.851 | S | S | * | * | trans | -70.7 | 151.4 | 170.1 | -60.1 | 174.1 | 107.4 | 0 | 0 | 113.5 | ||||
| 343 | D | 50 | Low | 51.2 | Low | 172 Ų | 172 | 143 Ų | 143 | 92% | 0.92 | 84% | 0.844 | S | S | * | * | trans | -135.8 | 140.1 | 155.3 | -106 | -31.9 | 0 | 0 | 0 | 108.6 | ||||
| 344 | G | 43.2 | Very low | 51.7 | Low | 71 Ų | 71 | 143.1 Ų | 143.1 | 73% | 0.732 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 166.3 | -158.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 345 | E | 52.2 | Low | 52 | Low | 195 Ų | 195 | 138.4 Ų | 138.4 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 134.4 | -173.2 | -60.7 | -168.5 | 115.8 | 0 | 0 | 115.5 | ||
| 346 | P | 62.3 | Low | 52.3 | Low | 130 Ų | 130 | 138.4 Ų | 138.4 | 84% | 0.844 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 127.5 | 159.4 | -14.5 | 31.3 | 0 | 0 | 0 | 111.9 | ||
| 347 | G | 50.1 | Low | 52.5 | Low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 172.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 348 | E | 54.6 | Low | 53.2 | Low | 201 Ų | 201 | 130.8 Ų | 130.8 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.5 | -171.7 | -60.4 | -176.6 | 119.2 | 0 | 0 | 115.5 | ||
| 349 | Q | 56.9 | Low | 53.5 | Low | 196 Ų | 196 | 130.9 Ų | 130.9 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 123.4 | 166.2 | -174.4 | 174.3 | -10.3 | 0 | 0 | 110.7 | ||
| 350 | G | 57.4 | Low | 53.2 | Low | 59 Ų | 59 | 129.6 Ų | 129.6 | 61% | 0.608 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 164.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 351 | P | 52.7 | Low | 53.9 | Low | 135 Ų | 135 | 129.4 Ų | 129.4 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 132.4 | -168.8 | 29 | -35.5 | 0 | 0 | 0 | 113.5 | ||
| 352 | Q | 58 | Low | 54.2 | Low | 196 Ų | 196 | 129.2 Ų | 129.2 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 136.9 | 173 | -168 | 172 | 0.4 | 0 | 0 | 111.2 | ||
| 353 | G | 52 | Low | 53.6 | Low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 159 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | G355 | G353-G355 PolarHBondContact O-N 3.15Š|
| 354 | L | 54 | Low | 53.6 | Low | 185 Ų | 185 | 122.3 Ų | 122.3 | 97% | 0.969 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 117.1 | -179.3 | -76.5 | 159.4 | 0 | 0 | 0 | 113.1 | ||
| 355 | G | 60 | Low | 53.8 | Low | 70 Ų | 70 | 122.4 Ų | 122.4 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 138.2 | 163 | 0 | 0 | 0 | 0 | 0 | 111.6 | G353 | G353-G355 PolarHBondContact O-N 3.15Š|
| 356 | G | 52.8 | Low | 53.4 | Low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 153.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P358 | G356-P358 WeakPolarHBondContact O-CD 3.17Š|
| 357 | P | 54.7 | Low | 53.1 | Low | 128 Ų | 128 | 120.9 Ų | 120.9 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 128.8 | -174.4 | 26.7 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 358 | P | 64.6 | Low | 53.1 | Low | 126 Ų | 126 | 120.9 Ų | 120.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145.3 | 169.4 | -22.7 | 34.3 | 0 | 0 | 0 | 112.2 | G356 | G356-P358 WeakPolarHBondContact O-CD 3.17Š|
| 359 | G | 49.1 | Very low | 52.8 | Low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | P361 | G359-P361 WeakPolarHBondContact O-CD 3.36Š|
| 360 | L | 45 | Very low | 52.6 | Low | 173 Ų | 173 | 125.7 Ų | 125.7 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 122.2 | -176.2 | -72 | 168 | 0 | 0 | 0 | 112.4 | ||
| 361 | P | 62.6 | Low | 52.3 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 143 | 169.9 | -20.9 | 34 | 0 | 0 | 0 | 111.9 | G359 | G359-P361 WeakPolarHBondContact O-CD 3.36Š|
| 362 | G | 49.9 | Very low | 52.3 | Low | 77 Ų | 77 | 125.1 Ų | 125.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61 | 143 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A364 | G362-A364 PolarHBondContact O-N 3.49Š|
| 363 | S | 43.4 | Very low | 52.4 | Low | 125 Ų | 125 | 121.8 Ų | 121.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.3 | -174.5 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 364 | A | 49.8 | Very low | 52.3 | Low | 96 Ų | 96 | 121.6 Ų | 121.6 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | G362 | G362-A364 PolarHBondContact O-N 3.49Š|
| 365 | G | 47.7 | Very low | 52.3 | Low | 74 Ų | 74 | 119.1 Ų | 119.1 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64 | 141.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | P367 | G365-P367 WeakPolarHBondContact O-CD 3.41Š|
| 366 | L | 43.9 | Very low | 52 | Low | 173 Ų | 173 | 125.5 Ų | 125.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 124.8 | -177.3 | -72.8 | 167.4 | 0 | 0 | 0 | 112.2 | ||
| 367 | P | 56.3 | Low | 51.9 | Low | 119 Ų | 119 | 125.7 Ų | 125.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145.1 | 170.4 | -22.6 | 34.5 | 0 | 0 | 0 | 112.3 | G365 | G365-P367 WeakPolarHBondContact O-CD 3.41Š|
| 368 | G | 49.8 | Very low | 51.6 | Low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R370 | G368-R370 PolarHBondContact O-N 3.11Š|
| 369 | R | 48 | Very low | 50.8 | Low | 254 Ų | 254 | 128 Ų | 128 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.6 | -178.6 | -74.1 | -175 | 171.8 | -130.4 | -1.1 | 111.5 | ||
| 370 | R | 53.7 | Low | 50.9 | Low | 245 Ų | 245 | 127.7 Ų | 127.7 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61 | 133.2 | 166.4 | -172.1 | 179.9 | -177.5 | -162.2 | 1.8 | 109.7 | G368 | G368-R370 PolarHBondContact O-N 3.11Š|
| 371 | G | 49.3 | Very low | 50.9 | Low | 56 Ų | 56 | 125.9 Ų | 125.9 | 58% | 0.577 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 153 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 372 | P | 52.8 | Low | 50.5 | Low | 125 Ų | 125 | 124 Ų | 124 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 147.6 | -179.5 | 27.8 | -34.6 | 0 | 0 | 0 | 111.9 | ||
| 373 | P | 60.2 | Low | 50.4 | Low | 126 Ų | 126 | 123.6 Ų | 123.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 142.4 | 171.4 | -22 | 33.6 | 0 | 0 | 0 | 111.9 | ||
| 374 | G | 50.3 | Low | 50.5 | Low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 151.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 375 | P | 53.5 | Low | 50.4 | Low | 132 Ų | 132 | 125.5 Ų | 125.5 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 143.3 | -179 | 26.8 | -34.3 | 0 | 0 | 0 | 112 | G377 | P375-G377 PolarHBondContact O-N 3Š|
| 376 | K | 53.8 | Low | 50.1 | Low | 205 Ų | 205 | 125.7 Ų | 125.7 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 125.2 | 174.1 | -178.5 | -177.7 | 177.4 | -175.6 | 0 | 109.4 | ||
| 377 | G | 51.9 | Low | 50.1 | Low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 144.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P375 | P375-G377 PolarHBondContact O-N 3Š|
| 378 | E | 48 | Very low | 49.3 | Very low | 199 Ų | 199 | 124.7 Ų | 124.7 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 152.8 | 177.6 | -63.6 | -176.4 | 144.1 | 0 | 0 | 111.8 | ||
| 379 | A | 48.8 | Very low | 49 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 129.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 380 | G | 49.7 | Very low | 48.6 | Very low | 66 Ų | 66 | 120.9 Ų | 120.9 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 152.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 381 | P | 46.3 | Very low | 48 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 144 | 178.7 | 29.1 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 382 | G | 53.2 | Low | 48.4 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 139.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 383 | G | 47.8 | Very low | 47.7 | Very low | 69 Ų | 69 | 122.9 Ų | 122.9 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 161.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 384 | P | 45.1 | Very low | 46.7 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 158.1 | -176.2 | 31.3 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 385 | P | 48.1 | Very low | 46.5 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 139.2 | -179.4 | -19.6 | 32.9 | 0 | 0 | 0 | 113.8 | ||
| 386 | G | 42.8 | Very low | 45.7 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 153 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 387 | V | 42.4 | Very low | 45.1 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 156 | -178 | -78.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 388 | P | 41.1 | Very low | 44.6 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 143.1 | -175.9 | -22 | 34.4 | 0 | 0 | 0 | 114.6 | ||
| 389 | G | 42.6 | Very low | 43.9 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 164.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 390 | I | 39.2 | Very low | 43.6 | Very low | 173 Ų | 173 | 123 Ų | 123 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -106.5 | 141.5 | 180 | 50.7 | 174.2 | 0 | 0 | 0 | 112.6 | ||||
| 391 | R | 40.8 | Very low | 43.4 | Very low | 243 Ų | 243 | 123 Ų | 123 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -61.9 | 146.9 | 168.6 | -167.6 | -177.7 | -161.5 | 166.2 | 4.5 | 109.3 | ||||
| 392 | G | 58.1 | Low | 42.8 | Very low | 58 Ų | 58 | 126.7 Ų | 126.7 | 60% | 0.598 | 83% | 0.834 | S | S | * | * | cis | 132.9 | 151.2 | 13.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 393 | D | 39 | Very low | 42.7 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 90% | 0.898 | 84% | 0.836 | S | S | * | * | trans | 174.6 | 163.9 | 150.5 | -86.5 | -14.3 | 0 | 0 | 0 | 112.3 | ||||
| 394 | Q | 38.1 | Very low | 42.3 | Very low | 199 Ų | 199 | 129.3 Ų | 129.3 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -139.6 | 144.2 | -152.1 | -179.7 | -173.2 | 7.6 | 0 | 0 | 115.8 | ||||
| 395 | G | 46.2 | Very low | 41.9 | Very low | 68 Ų | 68 | 131.7 Ų | 131.7 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | trans | 99.2 | 164.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 396 | P | 37.9 | Very low | 42.1 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 90% | 0.896 | 84% | 0.843 | S | S | * | * | cis | -124.6 | -170.8 | 7.8 | 40.5 | -24.2 | 0 | 0 | 0 | 115.2 | ||||
| 397 | S | 40.6 | Very low | 42.2 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | trans | -111.2 | 158.9 | -166.5 | -53 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 398 | G | 41.8 | Very low | 42 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | trans | 137 | 137.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 399 | L | 31.8 | Very low | 42.4 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 96% | 0.963 | 85% | 0.848 | S | S | * | * | cis | -149.8 | 168.2 | 26.6 | -77 | 162.8 | 0 | 0 | 0 | 112.3 | ||||
| 400 | A | 44.2 | Very low | 42.2 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 88% | 0.884 | 84% | 0.839 | S | S | * | * | trans | -76.9 | 162.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 401 | G | 43.8 | Very low | 41.9 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 84% | 0.838 | S | S | * | * | cis | 166.7 | -177.1 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 402 | K | 33.9 | Very low | 42.2 | Very low | 210 Ų | 210 | 134.2 Ų | 134.2 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -176.2 | 137.4 | 158.5 | -105.2 | 161.6 | -170.7 | -178.5 | 0 | 110.1 | ||||
| 403 | P | 51.8 | Low | 41.4 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 89% | 0.89 | 85% | 0.845 | S | S | * | * | trans | -88.1 | 146.2 | -177.5 | 32.4 | -31.8 | 0 | 0 | 0 | 113.2 | ||||
| 404 | G | 39 | Very low | 41.5 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | trans | -175.3 | 120.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 405 | L | 36.1 | Very low | 41.8 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 91% | 0.906 | 84% | 0.842 | S | S | * | * | trans | 64.9 | 113.7 | 165.1 | -59.6 | 172.9 | 0 | 0 | 0 | 118.7 | G407 | L405-G407 PolarHBondContact O-N 3.26Š| ||
| 406 | P | 53.2 | Low | 41.6 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -75 | 120.8 | 167.1 | -7.9 | 24.8 | 0 | 0 | 0 | 111.1 | ||||
| 407 | G | 45.7 | Very low | 42 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | trans | -134.9 | 137.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L405 | L405-G407 PolarHBondContact O-N 3.26Š| ||
| 408 | E | 37.5 | Very low | 42.9 | Very low | 198 Ų | 198 | 130.2 Ų | 130.2 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | 54.8 | 114.4 | 168.9 | -54.5 | -160.6 | 140.9 | 0 | 0 | 119 | G410 | E408-G410 PolarHBondContact O-N 2.8Š| ||
| 409 | R | 48.4 | Very low | 43.1 | Very low | 257 Ų | 257 | 129.8 Ų | 129.8 | 97% | 0.97 | 82% | 0.824 | S | S | * | * | trans | -77.7 | 84.5 | 167.3 | -177.8 | -178.7 | -84 | -170.4 | -5.4 | 110.3 | ||||
| 410 | G | 39.3 | Very low | 43.9 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 64% | 0.639 | 82% | 0.82 | S | S | * | * | trans | -85 | 136.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E408 | E408-G410 PolarHBondContact O-N 2.8Š| ||
| 411 | L | 32.8 | Very low | 44.2 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | 28 | 111.5 | 155.2 | -60.5 | 173 | 0 | 0 | 0 | 119.8 | G413 | L411-G413 PolarHBondContact O-N 3.35Š| ||
| 412 | P | 48.1 | Very low | 44.2 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -69 | 107.8 | 160.9 | -14.8 | 30.3 | 0 | 0 | 0 | 111.4 | ||||
| 413 | G | 41.5 | Very low | 45.1 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -99.1 | 129.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | L411 | L411-G413 PolarHBondContact O-N 3.35Š| ||
| 414 | A | 39.2 | Very low | 45 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | 24.9 | 115 | 163.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 415 | H | 44.4 | Very low | 45.2 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 91% | 0.912 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 138.6 | 156.3 | -124.6 | 52.8 | 0 | 0 | 0 | 110.3 | ||
| 416 | G | 43.5 | Very low | 45.9 | Very low | 60 Ų | 60 | 130.6 Ų | 130.6 | 62% | 0.619 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 155.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 417 | P | 45.3 | Very low | 45.4 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 148.1 | -175.3 | 30.2 | -35.5 | 0 | 0 | 0 | 113.3 | ||
| 418 | P | 60.4 | Low | 45.6 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 153.1 | 166.1 | -22.2 | 34.2 | 0 | 0 | 0 | 113 | ||
| 419 | G | 45.9 | Very low | 46.2 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 159 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 420 | P | 47.7 | Very low | 45.6 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134.6 | -175.9 | 30.5 | -34.9 | 0 | 0 | 0 | 112.9 | ||
| 421 | T | 50.4 | Low | 45.8 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 137.3 | 170.7 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 422 | G | 44.4 | Very low | 46.8 | Very low | 61 Ų | 61 | 130.1 Ų | 130.1 | 63% | 0.629 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 164.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 423 | P | 53.2 | Low | 46.6 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 142.4 | -176.6 | 31.3 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 424 | K | 48.4 | Very low | 46.9 | Very low | 211 Ų | 211 | 130.3 Ų | 130.3 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -111.9 | 129.1 | 173.9 | -170.6 | 177 | 179.9 | -177.8 | 0 | 109.6 | ||||
| 425 | G | 44.1 | Very low | 47.4 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | -90.8 | 175.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 426 | E | 49.7 | Very low | 47.6 | Very low | 198 Ų | 198 | 126.5 Ų | 126.5 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -78.3 | 149 | -177.4 | -53.1 | 175.6 | 143.7 | 0 | 0 | 113.4 | ||||
| 427 | P | 44.7 | Very low | 47.7 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | -148.5 | 172.1 | 125.1 | 32 | -12.8 | 0 | 0 | 0 | 114.8 | |||||
| 428 | G | 48.1 | Very low | 47.5 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | trans | -154.4 | -160.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 429 | F | 50.2 | Low | 46.7 | Very low | 207 Ų | 207 | 126.9 Ų | 126.9 | 91% | 0.908 | 84% | 0.835 | S | S | * | * | trans | 84.3 | 153.6 | 171.3 | -83.3 | -79.4 | 0 | 0 | 0 | 122.9 | ||||
| 430 | T | 37 | Very low | 46.6 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | trans | 80.9 | 143.8 | 175.1 | 70.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 431 | G | 42.7 | Very low | 46.8 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 78% | 0.784 | 84% | 0.842 | S | S | * | * | cis | -175.1 | 158.4 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 432 | R | 53.8 | Low | 46.4 | Very low | 251 Ų | 251 | 127.8 Ų | 127.8 | 95% | 0.947 | 85% | 0.845 | S | S | * | * | trans | -87.5 | 151.3 | -176 | -74.3 | -178.5 | 173.6 | -178.1 | -2.2 | 114.5 | ||||
| 433 | P | 44.9 | Very low | 46.7 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | -140.9 | 173.9 | 122.6 | 21.2 | 0.9 | 0 | 0 | 0 | 114.4 | |||||
| 434 | G | 47.1 | Very low | 46 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | trans | -172.6 | -175.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 435 | G | 50.5 | Low | 45.9 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | 79.9 | 164.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 436 | P | 48 | Very low | 45.9 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | cis | -117.5 | -163 | -16.3 | 42.1 | -26.8 | 0 | 0 | 0 | 111.8 | ||||
| 437 | G | 44.8 | Very low | 46.1 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 84% | 0.838 | S | S | * | * | cis | 157.8 | 143.9 | -20 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 438 | V | 42.7 | Very low | 45.9 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | 77.9 | 137.7 | 154.3 | -135.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 439 | A | 43.1 | Very low | 45.5 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | trans | 77.3 | 147.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 440 | G | 43 | Very low | 45.5 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | cis | -156.4 | -169.2 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 441 | A | 52.9 | Low | 46 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | trans | -124.5 | 170 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 442 | L | 41.3 | Very low | 46.1 | Very low | 179 Ų | 179 | 128 Ų | 128 | 94% | 0.937 | 84% | 0.839 | S | S | * | * | trans | 109.5 | 139 | 159.2 | -152.7 | 68.4 | 0 | 0 | 0 | 116.1 | ||||
| 443 | G | 49.8 | Very low | 46.2 | Very low | 62 Ų | 62 | 125.5 Ų | 125.5 | 64% | 0.639 | 84% | 0.838 | S | S | * | * | trans | -124.9 | -160.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 444 | Q | 38.8 | Very low | 46.8 | Very low | 203 Ų | 203 | 125.1 Ų | 125.1 | 95% | 0.949 | 84% | 0.835 | S | S | * | * | trans | -164.2 | 147.8 | 159.9 | -115.3 | 175.7 | 75.7 | 0 | 0 | 116.3 | ||||
| 445 | K | 46.3 | Very low | 46.8 | Very low | 198 Ų | 198 | 125 Ų | 125 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -33.3 | 155.8 | 172.8 | -177.1 | -178.1 | -176.9 | -178.3 | 0 | 121.1 | ||||
| 446 | G | 45.1 | Very low | 46.9 | Very low | 71 Ų | 71 | 130.1 Ų | 130.1 | 73% | 0.732 | 84% | 0.842 | S | S | * | * | trans | 178.2 | 110.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 447 | D | 53 | Low | 47.4 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 84% | 0.842 | S | S | * | * | trans | -117.6 | 131.6 | 172.5 | -70.6 | -58.1 | 0 | 0 | 0 | 111.8 | ||||
| 448 | L | 40.3 | Very low | 47.6 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 98% | 0.979 | 84% | 0.838 | S | S | * | * | trans | 176.8 | 146.7 | 156.4 | -127.2 | 72.2 | 0 | 0 | 0 | 107.9 | ||||
| 449 | G | 40.6 | Very low | 48.2 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | cis | -176.1 | 167.5 | -5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 450 | L | 50 | Low | 48.2 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 95% | 0.953 | 84% | 0.835 | S | S | * | * | trans | -80.7 | 131.4 | -179.3 | -71.7 | 158.2 | 0 | 0 | 0 | 112.2 | ||||
| 451 | P | 48 | Very low | 48.2 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | -151.9 | 171.8 | 103.7 | 37.2 | -19.2 | 0 | 0 | 0 | 113.8 | |||||
| 452 | G | 43.8 | Very low | 48.1 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | cis | -170.4 | 173.5 | -1.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P454 | G452-P454 WeakPolarHBondContact O-CD 3.36Š| ||
| 453 | Q | 55.4 | Low | 48.8 | Very low | 199 Ų | 199 | 134.2 Ų | 134.2 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.4 | -172.5 | -75.6 | -178.8 | -21.5 | 0 | 0 | 114.6 | ||
| 454 | P | 59 | Low | 48.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 144.2 | 163.5 | -11.5 | 30.6 | 0 | 0 | 0 | 112.2 | G452 | G452-P454 WeakPolarHBondContact O-CD 3.36Š|
| 455 | G | 46.2 | Very low | 48.8 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 173 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 456 | L | 53.8 | Low | 49.3 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 97% | 0.974 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 127.4 | -178.7 | -70.2 | 162.6 | 0 | 0 | 0 | 112.8 | ||
| 457 | R | 56.9 | Low | 49.6 | Very low | 243 Ų | 243 | 132.6 Ų | 132.6 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 134.2 | 172.8 | -170 | 172.2 | -178.7 | 166.3 | 1 | 110.6 | ||
| 458 | G | 48.9 | Very low | 49.6 | Very low | 57 Ų | 57 | 131.7 Ų | 131.7 | 59% | 0.588 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 163.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 459 | P | 55.1 | Low | 50.5 | Low | 136 Ų | 136 | 127.3 Ų | 127.3 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 143.6 | -169.8 | 30 | -35.3 | 0 | 0 | 0 | 112.2 | ||
| 460 | S | 44.7 | Very low | 51.1 | Low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -135.8 | 142.7 | 171.9 | -72.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 461 | G | 42 | Very low | 51.3 | Low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -35.9 | 139.6 | -163.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | P463 | G461-P463 WeakPolarHBondContact O-CD 3.45Š| ||
| 462 | I | 51.4 | Low | 51.9 | Low | 170 Ų | 170 | 126.3 Ų | 126.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -58.8 | 114 | 178.2 | -55.4 | 164.1 | 0 | 0 | 0 | 111.1 | ||||
| 463 | P | 56.1 | Low | 52.4 | Low | 115 Ų | 115 | 125.6 Ų | 125.6 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 151.6 | 163.2 | -8.6 | 29.4 | 0 | 0 | 0 | 109.8 | G461 | G461-P463 WeakPolarHBondContact O-CD 3.45Š| ||
| 464 | G | 44.6 | Very low | 52.4 | Low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -59 | 151.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q466 | G464-Q466 PolarHBondContact O-N 2.86Å; G464-Q466 VanDerWaalsContact O-N 3.16Å | ||
| 465 | L | 43.7 | Very low | 52.3 | Low | 183 Ų | 183 | 125.2 Ų | 125.2 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | -52.2 | 115.8 | 174.9 | -76.9 | 161.8 | 0 | 0 | 0 | 111.6 | ||||
| 466 | Q | 56.6 | Low | 52.5 | Low | 184 Ų | 184 | 124.5 Ų | 124.5 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 134.7 | 165.9 | -169 | 170.6 | 20.9 | 0 | 0 | 108.8 | G464 | G464-Q466 PolarHBondContact O-N 2.86Å; G464-Q466 VanDerWaalsContact O-N 3.16Å |
| 467 | G | 51.8 | Low | 52.2 | Low | 59 Ų | 59 | 123.8 Ų | 123.8 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58 | 148.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A469 | G467-A469 PolarHBondContact O-N 2.85Š|
| 468 | P | 52.9 | Low | 52.5 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 129.7 | -175.9 | 24.3 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 469 | A | 58.7 | Low | 52.7 | Low | 96 Ų | 96 | 118.4 Ų | 118.4 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 139.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G467 | G467-A469 PolarHBondContact O-N 2.85Š|
| 470 | G | 53.5 | Low | 52.4 | Low | 59 Ų | 59 | 120.6 Ų | 120.6 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 148.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I472 | G470-I472 PolarHBondContact O-N 2.83Š|
| 471 | P | 55 | Low | 53 | Low | 132 Ų | 132 | 124.1 Ų | 124.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.7 | -177.1 | 23.8 | -33.6 | 0 | 0 | 0 | 110.6 | G473 | P471-G473 PolarHBondContact O-N 2.84Š|
| 472 | I | 59.4 | Low | 53.6 | Low | 168 Ų | 168 | 123.7 Ų | 123.7 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.8 | 173.3 | -67.8 | 172.2 | 0 | 0 | 0 | 107.7 | G470 | G470-I472 PolarHBondContact O-N 2.83Š|
| 473 | G | 55.1 | Low | 53.5 | Low | 53 Ų | 53 | 124.7 Ų | 124.7 | 55% | 0.546 | 79% | 0.788 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 145.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | P471 Q475 | P471-G473 PolarHBondContact O-N 2.84Å; G473-Q475 PolarHBondContact O-N 3.01Å |
| 474 | P | 55.4 | Low | 53.5 | Low | 132 Ų | 132 | 124.7 Ų | 124.7 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 129.9 | -175 | 23.2 | -33.5 | 0 | 0 | 0 | 111.1 | G476 | P474-G476 PolarHBondContact O-N 2.94Š|
| 475 | Q | 57.3 | Low | 53.5 | Low | 185 Ų | 185 | 124.4 Ų | 124.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 122.1 | 177.3 | -177.7 | 176.5 | -5.5 | 0 | 0 | 109.6 | G473 L477 | G473-Q475 PolarHBondContact O-N 3.01Å; Q475-L477 PolarHBondContact O-N 3.17Å |
| 476 | G | 50.3 | Low | 53.7 | Low | 63 Ų | 63 | 124 Ų | 124 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P474 | P474-G476 PolarHBondContact O-N 2.94Š|
| 477 | L | 46.8 | Very low | 53.8 | Low | 172 Ų | 172 | 121 Ų | 121 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 129.3 | 176.1 | -75.7 | 170.7 | 0 | 0 | 0 | 110.4 | Q475 G479 | Q475-L477 PolarHBondContact O-N 3.17Å; L477-G479 PolarHBondContact O-N 2.94Å |
| 478 | P | 63.3 | Low | 53.6 | Low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 130.5 | 174.9 | -25.2 | 34.7 | 0 | 0 | 0 | 111.3 | ||
| 479 | G | 52.3 | Low | 53.6 | Low | 74 Ų | 74 | 121.2 Ų | 121.2 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 140.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L477 K481 | L477-G479 PolarHBondContact O-N 2.94Å; G479-K481 PolarHBondContact O-N 2.91Å; G479-K481 VanDerWaalsContact O-N 3.16Å |
| 480 | L | 49.4 | Very low | 53 | Low | 182 Ų | 182 | 122.8 Ų | 122.8 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 119.8 | 178.5 | -72 | 169.8 | 0 | 0 | 0 | 110.2 | G482 | L480-G482 PolarHBondContact O-N 3.12Š|
| 481 | K | 57.3 | Low | 52.6 | Low | 191 Ų | 191 | 123.7 Ų | 123.7 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.9 | 179.3 | -177.9 | -179.8 | 178 | -177.3 | 0 | 109.5 | G479 | G479-K481 PolarHBondContact O-N 2.91Å; G479-K481 VanDerWaalsContact O-N 3.16Å |
| 482 | G | 54.2 | Low | 52.4 | Low | 63 Ų | 63 | 127.2 Ų | 127.2 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 144.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L480 P484 | L480-G482 PolarHBondContact O-N 3.12Å; G482-P484 WeakPolarHBondContact O-CD 3.25Å |
| 483 | E | 49.2 | Very low | 51.5 | Low | 190 Ų | 190 | 122.7 Ų | 122.7 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 126.5 | -176.2 | -64.2 | -176.1 | 136.8 | 0 | 0 | 111.6 | ||
| 484 | P | 56.4 | Low | 50.7 | Low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 140.7 | 173.2 | -20.5 | 33.7 | 0 | 0 | 0 | 112.3 | G482 | G482-P484 WeakPolarHBondContact O-CD 3.25Š|
| 485 | G | 45.9 | Very low | 49.9 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 152.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 486 | L | 46.4 | Very low | 49.5 | Very low | 176 Ų | 176 | 123.8 Ų | 123.8 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 125.1 | -171.6 | -70.3 | 162.7 | 0 | 0 | 0 | 114.1 | ||
| 487 | P | 59.7 | Low | 49.2 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.2 | 165.9 | -19.2 | 33 | 0 | 0 | 0 | 112.5 | ||
| 488 | G | 47 | Very low | 49.5 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 158.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 489 | P | 52 | Low | 48.9 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 136.2 | -173.6 | 25.8 | -33.9 | 0 | 0 | 0 | 112.9 | ||
| 490 | P | 47 | Very low | 48.9 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 148.7 | -179.4 | -18.4 | 32.2 | 0 | 0 | 0 | 114.4 | ||
| 491 | G | 44.1 | Very low | 49.1 | Very low | 77 Ų | 77 | 125.5 Ų | 125.5 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 144.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 492 | E | 51 | Low | 49.1 | Very low | 207 Ų | 207 | 119.5 Ų | 119.5 | 97% | 0.967 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 146.6 | -177.5 | -57.5 | 178.1 | 111 | 0 | 0 | 113.2 | ||
| 493 | G | 41.1 | Very low | 49.1 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | -172.8 | 13.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 494 | K | 37.5 | Very low | 49.6 | Very low | 212 Ų | 212 | 120.4 Ų | 120.4 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | trans | 55.3 | 131 | 162.5 | -67 | -176.9 | 177 | 177.9 | 0 | 122.3 | ||||
| 495 | A | 39 | Very low | 49.7 | Very low | 102 Ų | 102 | 117.7 Ų | 117.7 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | 76.1 | 77.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 496 | G | 49.3 | Very low | 50.1 | Low | 79 Ų | 79 | 120.1 Ų | 120.1 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | 73.3 | 116.3 | 106.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 497 | E | 43.8 | Very low | 51 | Low | 192 Ų | 192 | 117.8 Ų | 117.8 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -128.6 | 160.4 | 157.2 | -83.6 | -159.4 | 130.2 | 0 | 0 | 112 | ||||
| 498 | P | 54.4 | Low | 50.8 | Low | 123 Ų | 123 | 115.6 Ų | 115.6 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 156.1 | -160.2 | -18.6 | 34.3 | 0 | 0 | 0 | 116.6 | ||
| 499 | G | 50.3 | Low | 51.3 | Low | 81 Ų | 81 | 119.2 Ų | 119.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 142.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 500 | T | 52.3 | Low | 51.9 | Low | 143 Ų | 143 | 118.7 Ų | 118.7 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 149.2 | 176.7 | 46.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 501 | A | 53.1 | Low | 52.6 | Low | 99 Ų | 99 | 115.9 Ų | 115.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 502 | G | 57.4 | Low | 53.2 | Low | 65 Ų | 65 | 117.5 Ų | 117.5 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66 | 144.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 503 | P | 54.2 | Low | 54 | Low | 131 Ų | 131 | 113.5 Ų | 113.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 136.7 | -176.9 | 28 | -34.5 | 0 | 0 | 0 | 112.3 | ||
| 504 | T | 59.9 | Low | 55.1 | Low | 141 Ų | 141 | 113.4 Ų | 113.4 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133 | 173.6 | -49.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 505 | G | 57.9 | Low | 56.2 | Low | 58 Ų | 58 | 111.6 Ų | 111.6 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 149.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 506 | P | 54.4 | Low | 57.5 | Low | 121 Ų | 121 | 113 Ų | 113 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 148.8 | -179.1 | 27.7 | -34.8 | 0 | 0 | 0 | 112.1 | ||
| 507 | P | 65.3 | Low | 58.4 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.9 | 176.1 | -25.2 | 34.8 | 0 | 0 | 0 | 113.1 | ||
| 508 | G | 56 | Low | 59.4 | Low | 74 Ų | 74 | 108.4 Ų | 108.4 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 138.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 509 | V | 57 | Low | 60.2 | Low | 140 Ų | 140 | 108.5 Ų | 108.5 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 131.7 | -179.1 | -160.8 | 0 | 0 | 0 | 0 | 110 | G511 | V509-G511 PolarHBondContact O-N 2.82Š|
| 510 | P | 65.7 | Low | 61 | Low | 119 Ų | 119 | 107.7 Ų | 107.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.8 | 174.3 | -25.6 | 35.1 | 0 | 0 | 0 | 112.1 | ||
| 511 | G | 60.6 | Low | 61.6 | Low | 71 Ų | 71 | 106.6 Ų | 106.6 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 139.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V509 | V509-G511 PolarHBondContact O-N 2.82Š|
| 512 | S | 56.5 | Low | 62.4 | Low | 111 Ų | 111 | 108 Ų | 108 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 135.6 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | G514 | S512-G514 PolarHBondContact O-N 3.42Š|
| 513 | P | 69 | Low | 62.8 | Low | 123 Ų | 123 | 108 Ų | 108 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.2 | 174 | -26.9 | 35.2 | 0 | 0 | 0 | 112.1 | I515 | P513-I515 PolarHBondContact O-N 3.45Š|
| 514 | G | 63 | Low | 63.3 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S512 T516 | S512-G514 PolarHBondContact O-N 3.42Å; G514-T516 PolarHBondContact O-N 3.21Å |
| 515 | I | 60.4 | Low | 63.8 | Low | 173 Ų | 173 | 106.8 Ų | 106.8 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 117.1 | -179 | -23.7 | 175.1 | 0 | 0 | 0 | 108.8 | P513 G517 | P513-I515 PolarHBondContact O-N 3.45Å; I515-G517 PolarHBondContact O-N 2.94Å |
| 516 | T | 67.3 | Low | 63.9 | Low | 133 Ų | 133 | 107 Ų | 107 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 122.4 | 174.2 | -48.1 | 0 | 0 | 0 | 0 | 109.1 | G514 | G514-T516 PolarHBondContact O-N 3.21Š|
| 517 | G | 68.2 | Low | 64.3 | Low | 53 Ų | 53 | 107 Ų | 107 | 55% | 0.546 | 77% | 0.765 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 144.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I515 | I515-G517 PolarHBondContact O-N 2.94Š|
| 518 | P | 63.8 | Low | 64 | Low | 120 Ų | 120 | 107 Ų | 107 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 144 | 178.7 | 25.4 | -34 | 0 | 0 | 0 | 110.4 | G520 | P518-G520 PolarHBondContact O-N 2.84Š|
| 519 | P | 72.1 | Confident | 63.8 | Low | 125 Ų | 125 | 106.9 Ų | 106.9 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 136.7 | 173.4 | -25.7 | 34.5 | 0 | 0 | 0 | 110.9 | ||
| 520 | G | 67.8 | Low | 63.6 | Low | 64 Ų | 64 | 104.6 Ų | 104.6 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 142.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P518 | P518-G520 PolarHBondContact O-N 2.84Š|
| 521 | P | 63.6 | Low | 62.5 | Low | 121 Ų | 121 | 105 Ų | 105 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 145.6 | -179.9 | 25 | -34 | 0 | 0 | 0 | 110.5 | G523 | P521-G523 PolarHBondContact O-N 2.9Š|
| 522 | P | 71.2 | Confident | 61.5 | Low | 129 Ų | 129 | 104 Ų | 104 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 137.4 | 173.8 | -26 | 34.6 | 0 | 0 | 0 | 111 | ||
| 523 | G | 65.5 | Low | 60.5 | Low | 65 Ų | 65 | 103.1 Ų | 103.1 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 145.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P521 | P521-G523 PolarHBondContact O-N 2.9Š|
| 524 | P | 65.3 | Low | 58.9 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 144.1 | -179.8 | 24.7 | -34 | 0 | 0 | 0 | 110.4 | G526 | P524-G526 PolarHBondContact O-N 3.02Š|
| 525 | P | 68.6 | Low | 57.7 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 137.2 | 172.9 | -26.4 | 34.7 | 0 | 0 | 0 | 110.8 | ||
| 526 | G | 60.9 | Low | 56.7 | Low | 61 Ų | 61 | 111.7 Ų | 111.7 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 147.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | P524 | P524-G526 PolarHBondContact O-N 3.02Š|
| 527 | P | 61.8 | Low | 55.5 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 140.8 | -179.5 | 24 | -33.8 | 0 | 0 | 0 | 110 | G529 | P527-G529 PolarHBondContact O-N 2.84Š|
| 528 | P | 59.9 | Low | 53.8 | Low | 126 Ų | 126 | 113.2 Ų | 113.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 133.5 | 174.6 | -27.2 | 34.9 | 0 | 0 | 0 | 110.5 | A530 | P528-A530 PolarHBondContact O-N 3.09Š|
| 529 | G | 51.7 | Low | 52.4 | Low | 71 Ų | 71 | 115.9 Ų | 115.9 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 142.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P527 | P527-G529 PolarHBondContact O-N 2.84Š|
| 530 | A | 52.3 | Low | 50.5 | Low | 91 Ų | 91 | 114.9 Ų | 114.9 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 139.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P528 G532 | P528-A530 PolarHBondContact O-N 3.09Å; A530-G532 PolarHBondContact O-N 3.48Å; A530-G532 VanDerWaalsContact O-N 3.12Å |
| 531 | P | 42.6 | Very low | 48.8 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 124.6 | 176.5 | -26 | 34.1 | 0 | 0 | 0 | 109.6 | A533 | P531-A533 PolarHBondContact O-N 3.29Å; P531-A533 VanDerWaalsContact O-N 3.13Å |
| 532 | G | 39.5 | Very low | 47.1 | Very low | 52 Ų | 52 | 117.8 Ų | 117.8 | 54% | 0.536 | 79% | 0.79 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 122.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | A530 F534 | A530-G532 PolarHBondContact O-N 3.48Å; A530-G532 VanDerWaalsContact O-N 3.12Å; G532-F534 VanDerWaalsContact C-N 3.33Å; G532-F534 VanDerWaalsContact O-CD2 3.28Å; G532-F534 WeakPolarHBondContact O-CD2 3.49Å; G532-F534 PolarHBondContact O-N 3.33Å |
| 533 | A | 37 | Very low | 45.2 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -63.2 | 101.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | P531 D535 | P531-A533 PolarHBondContact O-N 3.29Å; P531-A533 VanDerWaalsContact O-N 3.13Å; A533-D535 VanDerWaalsContact C-N 3.31Å; A533-D535 PolarHBondContact O-N 3.4Å | ||
| 534 | F | 34.3 | Very low | 43.6 | Very low | 202 Ų | 202 | 123.3 Ų | 123.3 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | trans | -75.5 | 91.8 | 170.4 | -75.4 | -82.7 | 0 | 0 | 0 | 107.4 | G532 | G532-F534 VanDerWaalsContact C-N 3.33Å; G532-F534 VanDerWaalsContact O-CD2 3.28Å; G532-F534 WeakPolarHBondContact O-CD2 3.49Å; G532-F534 PolarHBondContact O-N 3.33Å | ||
| 535 | D | 38.8 | Very low | 42.5 | Very low | 143 Ų | 143 | 122 Ų | 122 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -55.6 | 143.7 | 159.4 | -72.3 | -41.1 | 0 | 0 | 0 | 109 | A533 T537 | A533-D535 VanDerWaalsContact C-N 3.31Å; A533-D535 PolarHBondContact O-N 3.4Å; D535-T537 PolarHBondContact O-N 3.16Å | ||
| 536 | E | 38.5 | Very low | 40.9 | Very low | 201 Ų | 201 | 123.6 Ų | 123.6 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -78 | 38.2 | -156.4 | -149.6 | 179.7 | 165.9 | 0 | 0 | 114.7 | ||
| 537 | T | 43.3 | Very low | 39.8 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -158.2 | 103.8 | 177.7 | 17.4 | 0 | 0 | 0 | 0 | 112.1 | D535 | D535-T537 PolarHBondContact O-N 3.16Š| ||
| 538 | G | 31.3 | Very low | 38.1 | Very low | 82 Ų | 82 | 121.9 Ų | 121.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 163.5 | 46 | 173.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 539 | I | 34.7 | Very low | 37.2 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -81.8 | 137 | 160.4 | -67.5 | -174.9 | 0 | 0 | 0 | 108.9 | G541 | I539-G541 VanDerWaalsContact C-N 3.26Å; I539-G541 PolarHBondContact O-N 2.75Å | ||
| 540 | A | 32.4 | Very low | 36.8 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -69 | 73.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 541 | G | 31.4 | Very low | 35.8 | Very low | 61 Ų | 61 | 125 Ų | 125 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 112.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I539 H543 | I539-G541 VanDerWaalsContact C-N 3.26Å; I539-G541 PolarHBondContact O-N 2.75Å; G541-H543 VanDerWaalsContact C-N 3.31Å; G541-H543 PolarHBondContact O-N 3.23Å | ||
| 542 | L | 28.9 | Very low | 35.3 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 97% | 0.974 | 79% | 0.786 | S | S | * | * | trans | -70.8 | 91.3 | 163.2 | -81.9 | 172 | 0 | 0 | 0 | 108.8 | ||||
| 543 | H | 30.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -109.5 | 109.3 | 175.8 | -172.1 | -83.4 | 0 | 0 | 0 | 110.5 | G541 | G541-H543 VanDerWaalsContact C-N 3.31Å; G541-H543 PolarHBondContact O-N 3.23Å | ||
| 544 | L | 32.2 | Very low | 35 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -139 | 154.5 | 159 | -94.9 | 116.2 | 0 | 0 | 0 | 109 | ||||
| 545 | P | 42 | Very low | 35.2 | Very low | 91 Ų | 91 | 123 Ų | 123 | 59% | 0.591 | 78% | 0.781 | S | S | * | * | S | Bend | -97.3 | 131.1 | -123.6 | 32.7 | -36.3 | 0 | 0 | 0 | 114.2 | |||
| 546 | N | 34.1 | Very low | 35.3 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | S | Bend | 177.1 | 95.1 | 120.5 | -86.4 | -18 | 0 | 0 | 0 | 111.4 | |||
| 547 | G | 38.6 | Very low | 35.7 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 89.2 | 114.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 548 | G | 26.5 | Very low | 35.6 | Very low | 72 Ų | 72 | 118 Ų | 118 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -88.4 | -146.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 549 | V | 40.5 | Very low | 35.8 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | cis | -151 | -174.7 | -7.8 | -76.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 550 | E | 43.1 | Very low | 36 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 62% | 0.621 | 78% | 0.775 | S | S | * | * | cis | -158.2 | 177.4 | 14.6 | -159.6 | -143.1 | -94.4 | 0 | 0 | 109.2 | A552 V553 | E550-A552 WeakPolarHBondContact OE2-CA 3.49Å; E550-A552 PolarHBondContact OE2-N 2.76Å; E550-V553 HydrophobicContact CG-CG2 4.49Å; E550-V553 WeakPolarHBondContact OE1-CG2 3.23Å; E550-V553 PolarHBondContact OE2-N 2.96Å | ||
| 551 | G | 32.6 | Very low | 36.2 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -149 | 103.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 552 | A | 31 | Very low | 36.4 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 51.2 | 80.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | E550 L554 | E550-A552 WeakPolarHBondContact OE2-CA 3.49Å; E550-A552 PolarHBondContact OE2-N 2.76Å; A552-L554 PolarHBondContact O-N 2.81Å | ||
| 553 | V | 36.2 | Very low | 36.9 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 121.2 | 157 | 175 | 0 | 0 | 0 | 0 | 111.5 | E550 G555 | E550-V553 HydrophobicContact CG-CG2 4.49Å; E550-V553 WeakPolarHBondContact OE1-CG2 3.23Å; E550-V553 PolarHBondContact OE2-N 2.96Å; V553-G555 PolarHBondContact O-N 2.99Å | ||
| 554 | L | 33.3 | Very low | 37.4 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 76.4 | 164.5 | -95.4 | 167.7 | 0 | 0 | 0 | 110.6 | A552 | A552-L554 PolarHBondContact O-N 2.81Š| ||
| 555 | G | 38.8 | Very low | 37.6 | Very low | 46 Ų | 46 | 123.9 Ų | 123.9 | 47% | 0.474 | 79% | 0.785 | S | S | . | * | trans | -66.4 | 133.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | V553 G557 | V553-G555 PolarHBondContact O-N 2.99Å; G555-G557 PolarHBondContact O-N 3.44Å | ||
| 556 | K | 42.3 | Very low | 37.4 | Very low | 223 Ų | 223 | 129 Ų | 129 | 97% | 0.97 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 102.3 | 173.9 | -77.3 | -174.3 | 174.9 | 179.5 | 0 | 110.7 | ||
| 557 | G | 45.8 | Very low | 37.4 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | 13.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | G555 | G555-G557 PolarHBondContact O-N 3.44Š|
| 558 | G | 41.7 | Very low | 37.5 | Very low | 63 Ų | 63 | 130.3 Ų | 130.3 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | trans | -107.2 | 143.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 559 | K | 36.2 | Very low | 38.4 | Very low | 203 Ų | 203 | 130.9 Ų | 130.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -69.7 | 142.9 | 176.6 | -69.3 | -179.6 | -179.9 | 177.4 | 0 | 111.4 | ||||
| 560 | P | 38.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -70.9 | 138.8 | 177.7 | 29.8 | -34.8 | 0 | 0 | 0 | 111.5 | ||||
| 561 | Q | 36.7 | Very low | 39.9 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -124.8 | 116.1 | -179.2 | -166.4 | 164.1 | -5.9 | 0 | 0 | 108.8 | ||||
| 562 | F | 35.9 | Very low | 42.2 | Very low | 203 Ų | 203 | 127.9 Ų | 127.9 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -83.4 | 126.8 | -177.1 | -72.4 | -92.2 | 0 | 0 | 0 | 110.8 | ||||
| 563 | G | 38.9 | Very low | 45 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | -117.7 | 148.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G565 | G563-G565 PolarHBondContact O-N 2.8Š| ||
| 564 | L | 41.7 | Very low | 47.8 | Very low | 190 Ų | 190 | 119 Ų | 119 | 100% | 0.995 | 70% | 0.701 | S | S | * | * | trans | -82.2 | 107.5 | 176.3 | -134.2 | 87.4 | 0 | 0 | 0 | 109.4 | ||||
| 565 | G | 36.1 | Very low | 50.8 | Low | 67 Ų | 67 | 110.6 Ų | 110.6 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | -91.7 | 132.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G563 L567 | G563-G565 PolarHBondContact O-N 2.8Å; G565-L567 PolarHBondContact O-N 3.44Å | ||
| 566 | E | 36.5 | Very low | 53.7 | Low | 199 Ų | 199 | 109.7 Ų | 109.7 | 93% | 0.93 | 64% | 0.643 | S | S | * | * | trans | -73.8 | 120.6 | 176.2 | -166.1 | 168 | -161.4 | 0 | 0 | 109.8 | S568 | E566-S568 PolarHBondContact O-N 2.88Š| ||
| 567 | L | 34.3 | Very low | 56.3 | Low | 163 Ų | 163 | 99.1 Ų | 99.1 | 85% | 0.853 | 60% | 0.597 | S | S | * | * | trans | -66.1 | 99.8 | 179.3 | -80.7 | 159.7 | 0 | 0 | 0 | 109.8 | G565 A569 | G565-L567 PolarHBondContact O-N 3.44Å; L567-A569 PolarHBondContact O-N 2.83Å | ||
| 568 | S | 41.6 | Very low | 58.8 | Low | 102 Ų | 102 | 95.1 Ų | 95.1 | 71% | 0.713 | 56% | 0.555 | S | S | * | * | trans | -69.5 | 76.9 | 165.5 | -170.8 | 0 | 0 | 0 | 0 | 109.8 | E566 H570 | E566-S568 PolarHBondContact O-N 2.88Å; S568-H570 PolarHBondContact O-N 3.11Å | ||
| 569 | A | 44.9 | Very low | 61.4 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 69% | 0.686 | 52% | 0.524 | S | S | * | . | trans | -71.6 | 83.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L567 A571 | L567-A569 PolarHBondContact O-N 2.83Å; A569-A571 VanDerWaalsContact C-N 3.26Å; A569-A571 PolarHBondContact O-N 2.89Å | ||
| 570 | H | 51.9 | Low | 64.2 | Low | 166 Ų | 166 | 84.8 Ų | 84.8 | 77% | 0.769 | 50% | 0.496 | S | S | * | . | trans | -55.4 | 99.2 | 156.3 | -95.6 | -82.6 | 0 | 0 | 0 | 107.1 | S568 T572 | S568-H570 PolarHBondContact O-N 3.11Å; H570-T572 PolarHBondContact O-N 2.91Å | ||
| 571 | A | 62.4 | Low | 66.9 | Low | 36 Ų | 36 | 82 Ų | 82 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | trans | -58.9 | 105.5 | -158.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A569 H600 | A569-A571 VanDerWaalsContact C-N 3.26Å; A569-A571 PolarHBondContact O-N 2.89Å; A571-H600 PolarHBondContact O-CE1 3.48Å; A571-H600 PolarHBondContact O-ND1 3.16Å | ||
| 572 | T | 81.6 | Confident | 69.7 | Low | 87 Ų | 87 | 75.7 Ų | 75.7 | 53% | 0.534 | 46% | 0.455 | S | S | . | . | trans | -57.3 | 141.6 | -179.4 | 43.2 | 0 | 0 | 0 | 0 | 110.7 | H570 A574 | H570-T572 PolarHBondContact O-N 2.91Å; T572-A574 PolarHBondContact O-N 3.13Å | ||
| 573 | P | 90.3 | Very high | 72.6 | Confident | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.052 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -55.4 | 109.6 | 179.2 | -29.5 | 36.9 | 0 | 0 | 0 | 112 | H600 P613 V614 Y618 F696 L697 | P573-H600 HydrophobicContact CG-CB 4.38Å; P573-P613 HydrophobicContact CB-CG 3.69Å; P573-P613 HydrophobicContact CG-CG 3.83Å; P573-V614 HydrophobicContact CG-CB 4.28Å; P573-V614 HydrophobicContact CG-CG2 4.02Å; P573-Y618 HydrophobicContact CB-CE1 4.05Å; P573-F696 WeakPolarHBondContact O-CA 3.46Å; P573-L697 HydrophobicContact CG-CD2 4.46Å; P573-L697 PolarHBondContact O-N 3.42Å |
| 574 | A | 94.8 | Very high | 75.3 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 12% | 0.116 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 147.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T572 Y597 N598 G599 G695 F696 | T572-A574 PolarHBondContact O-N 3.13Å; A574-Y597 HydrophobicContact CB-CD1 4.42Å; A574-Y597 HydrophobicContact CB-CE1 3.93Å; A574-Y597 VanDerWaalsContact O-CD1 3.28Å; A574-Y597 WeakPolarHBondContact O-CD1 3.49Å; A574-Y597 WeakPolarHBondContact O-CE1 3.31Å; A574-N598 CarbonylContact O-C 3.55Å; A574-N598 WeakPolarHBondContact O-CA 3.46Å; A574-G599 PolarHBondContact O-N 2.83Å; A574-G695 CarbonylContact C-O 3.49Å; A574-G695 WeakPolarHBondContact CA-O 3.2Å; A574-F696 HydrophobicContact CB-CB 3.51Å |
| 575 | F | 97.3 | Very high | 77.8 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.013 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 160.4 | 176.7 | 74.8 | -78.6 | 0 | 0 | 0 | 111.7 | Y597 N598 Y603 F610 F620 F693 S694 G695 | F575-Y597 CarbonylContact C-O 3.46Å; F575-Y597 WeakPolarHBondContact CA-O 3.12Å; F575-Y597 WeakPolarHBondContact CB-O 3.39Å; F575-N598 HydrophobicContact CB-CB 4.39Å; F575-Y603 HydrophobicContact CB-CG 4.5Å; F575-Y603 HydrophobicContact CD2-CD1 4.11Å; F575-Y603 AromaticContact CD2-CD2 3.74Å; F575-Y603 HydrophobicContact CD2-CD2 3.74Å; F575-Y603 AromaticContact CD2-CG 3.51Å; F575-Y603 HydrophobicContact CD2-CG 3.51Å; F575-Y603 AromaticContact CE2-CD2 3.57Å; F575-Y603 HydrophobicContact CE2-CD2 3.57Å; F575-Y603 HydrophobicContact CE2-CE2 4.13Å; F575-Y603 AromaticContact CE2-CG 3.88Å; F575-Y603 HydrophobicContact CE2-CG 3.88Å; F575-Y603 VanDerWaalsContact CG-CB 3.48Å; F575-Y603 HydrophobicContact CG-CD2 4.44Å; F575-Y603 HydrophobicContact CG-CG 4.01Å; F575-Y603 HydrophobicContact CZ-CD2 4.15Å; F575-F610 AromaticContact CD1-CD2 3.37Å; F575-F610 HydrophobicContact CD1-CD2 3.37Å; F575-F610 AromaticContact CD1-CE2 3.79Å; F575-F610 HydrophobicContact CD1-CE2 3.79Å; F575-F610 HydrophobicContact CD1-CG 4.18Å; F575-F610 HydrophobicContact CE1-CB 3.86Å; F575-F610 AromaticContact CE1-CD2 3.36Å; F575-F610 HydrophobicContact CE1-CD2 3.36Å; F575-F610 HydrophobicContact CE1-CE2 4.03Å; F575-F610 AromaticContact CE1-CG 3.69Å; F575-F610 HydrophobicContact CE1-CG 3.69Å; F575-F610 HydrophobicContact CG-CD2 4.35Å; F575-F610 HydrophobicContact CZ-CB 4.08Å; F575-F610 HydrophobicContact CZ-CD2 4.34Å; F575-F610 HydrophobicContact CZ-CG 4.41Å; F575-F620 HydrophobicContact CE1-CD1 4.2Å; F575-F620 AromaticContact CE1-CE1 3.82Å; F575-F620 HydrophobicContact CE1-CE1 3.82Å; F575-F620 HydrophobicContact CZ-CD1 4.24Å; F575-F620 HydrophobicContact CZ-CE1 4.18Å; F575-F693 AromaticContact CE2-CD1 3.67Å; F575-F693 HydrophobicContact CE2-CD1 3.67Å; F575-F693 AromaticContact CE2-CE1 3.85Å; F575-F693 HydrophobicContact CE2-CE1 3.85Å; F575-F693 HydrophobicContact CE2-CG 4.08Å; F575-F693 HydrophobicContact CE2-CZ 4.39Å; F575-F693 AromaticContact CZ-CD1 3.88Å; F575-F693 HydrophobicContact CZ-CD1 3.88Å; F575-F693 HydrophobicContact CZ-CD2 4.45Å; F575-F693 AromaticContact CZ-CE1 3.58Å; F575-F693 HydrophobicContact CZ-CE1 3.58Å; F575-F693 HydrophobicContact CZ-CE2 4.19Å; F575-F693 HydrophobicContact CZ-CG 4.3Å; F575-F693 AromaticContact CZ-CZ 3.75Å; F575-F693 HydrophobicContact CZ-CZ 3.75Å; F575-S694 VanDerWaalsContact O-CA 3.3Å; F575-S694 WeakPolarHBondContact O-CA 3.39Å; F575-G695 WeakPolarHBondContact CD1-O 3.28Å; F575-G695 PolarHBondContact N-O 3.4Å; F575-G695 PolarHBondContact O-N 3.36Å; F575-G695 VanDerWaalsContact O-N 3.09Å |
| 576 | T | 97.8 | Very high | 80.6 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 17% | 0.166 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 125.1 | 166 | -70.4 | 0 | 0 | 0 | 0 | 107.4 | L596 Y597 S694 | T576-L596 HydrophobicContact CG2-CB 4.28Å; T576-L596 HydrophobicContact CG2-CD1 4.11Å; T576-L596 HydrophobicContact CG2-CG 4.48Å; T576-L596 WeakPolarHBondContact O-CA 3.15Å; T576-L596 PolarHBondContact O-N 2.8Å; T576-Y597 PolarHBondContact N-O 2.93Å; T576-Y597 PolarHBondContact O-N 2.98Å; T576-Y597 VanDerWaalsContact O-N 3.08Å; T576-S694 WeakPolarHBondContact CB-OG 3.38Å; T576-S694 WeakPolarHBondContact CG2-OG 3.48Å; T576-S694 WeakPolarHBondContact OG1-CB 3.34Å; T576-S694 PolarHBondContact OG1-OG 3.48Å |
| 577 | A | 97.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F592 R594 Y603 S692 F693 | A577-F592 HydrophobicContact CB-CB 3.61Å; A577-R594 WeakPolarHBondContact CA-O 3.27Å; A577-Y603 HydrophobicContact CB-CD1 4.02Å; A577-Y603 HydrophobicContact CB-CE1 3.47Å; A577-Y603 VanDerWaalsContact CB-CE1 3.47Å; A577-S692 CarbonylContact O-C 3.53Å; A577-S692 VanDerWaalsContact O-CA 3.32Å; A577-S692 WeakPolarHBondContact O-CA 3.5Å; A577-F693 PolarHBondContact N-O 2.92Å; A577-F693 PolarHBondContact O-N 3.05Å |
| 578 | V | 97.9 | Very high | 86.3 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.3 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | F592 D593 R594 L596 H690 S691 | V578-F592 CarbonylContact O-C 3.58Å; V578-D593 PolarHBondContact O-N 2.88Å; V578-R594 HydrophobicContact CG2-CB 3.79Å; V578-R594 HydrophobicContact CG2-CG 4.01Å; V578-R594 PolarHBondContact N-O 3.36Å; V578-R594 PolarHBondContact O-N 3.23Å; V578-L596 HydrophobicContact CG1-CD1 3.76Å; V578-L596 HydrophobicContact CG1-CG 4.17Å; V578-L596 HydrophobicContact CG2-CD2 4.31Å; V578-L596 HydrophobicContact CG2-CG 4.5Å; V578-H690 HydrophobicContact CB-CB 4.39Å; V578-H690 HydrophobicContact CG1-CB 4.26Å; V578-S691 WeakPolarHBondContact CA-O 3.05Å |
| 579 | L | 97.6 | Very high | 89 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | trans | -85.1 | 129.2 | 173.9 | 179.1 | 67.5 | 0 | 0 | 0 | 108.6 | S581 P584 V590 K591 F592 L683 S685 S691 | L579-S581 VanDerWaalsContact CD2-O 3.24Å; L579-S581 WeakPolarHBondContact CD2-O 3.46Å; L579-S581 WeakPolarHBondContact CG-O 3.21Å; L579-P584 HydrophobicContact CD2-CB 4.45Å; L579-P584 HydrophobicContact CD2-CG 3.84Å; L579-V590 HydrophobicContact CD1-CG1 4.44Å; L579-V590 HydrophobicContact CD2-CG1 4.16Å; L579-K591 WeakPolarHBondContact CD1-O 3.4Å; L579-F592 HydrophobicContact CB-CD1 3.76Å; L579-F592 HydrophobicContact CB-CE1 4.19Å; L579-F592 HydrophobicContact CB-CG 4.4Å; L579-L683 HydrophobicContact CD2-CD2 3.41Å; L579-L683 VanDerWaalsContact CD2-CD2 3.41Å; L579-S685 VanDerWaalsContact O-CB 3.26Å; L579-S685 WeakPolarHBondContact O-CB 3.43Å; L579-S685 PolarHBondContact O-OG 3.47Å; L579-S691 PolarHBondContact N-O 2.79Å | ||
| 580 | T | 94.7 | Very high | 91.5 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | trans | -95.2 | -20.5 | 178.6 | 67 | 0 | 0 | 0 | 0 | 113.3 | D593 R594 | T580-D593 WeakPolarHBondContact CB-OD2 3.49Å; T580-D593 WeakPolarHBondContact CG2-OD2 3.34Å; T580-D593 PolarHBondContact N-OD1 2.96Å; T580-D593 VanDerWaalsContact OG1-CG 3.24Å; T580-D593 PolarHBondContact OG1-OD1 3.25Å; T580-D593 PolarHBondContact OG1-OD2 2.57Å; T580-R594 HydrophobicContact CG2-CB 3.6Å | ||
| 581 | S | 93.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 41.9 Ų | 41.9 | 40% | 0.399 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -105.2 | 139.3 | -176.2 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | L579 S685 | L579-S581 VanDerWaalsContact CD2-O 3.24Å; L579-S581 WeakPolarHBondContact CD2-O 3.46Å; L579-S581 WeakPolarHBondContact CG-O 3.21Å; S581-S685 CarbonylContact C-O 3.47Å |
| 582 | P | 96.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 38% | 0.377 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -78.8 | 154.8 | 174.8 | 32.7 | -34.7 | 0 | 0 | 0 | 111.1 | Y684 S685 | P582-Y684 HydrophobicContact CB-CD2 3.62Å; P582-Y684 HydrophobicContact CB-CE2 3.74Å; P582-S685 WeakPolarHBondContact CA-O 3.08Å; P582-S685 WeakPolarHBondContact CB-O 3.49Å; P582-S685 WeakPolarHBondContact CD-O 3.42Å; P582-S685 VanDerWaalsContact N-O 3.12Å |
| 583 | F | 96.4 | Very high | 96 | Very high | 105 Ų | 105 | 39.1 Ų | 39.1 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 56.2 | 60 | 172 | -45.5 | -58.4 | 0 | 0 | 0 | 113.9 | K627 L683 Y684 | F583-K627 WeakPolarHBondContact CE1-O 3.48Å; F583-L683 WeakPolarHBondContact CA-O 3.42Å; F583-L683 PolarHBondContact N-O 2.82Å; F583-Y684 HydrophobicContact CE1-CD2 4.09Å; F583-Y684 HydrophobicContact CE2-CD2 4.15Å; F583-Y684 HydrophobicContact CE2-CE2 4.38Å; F583-Y684 AromaticContact CZ-CD2 3.69Å; F583-Y684 HydrophobicContact CZ-CD2 3.69Å; F583-Y684 HydrophobicContact CZ-CE2 4.22Å |
| 584 | P | 96.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -62 | 159 | 174 | 28.3 | -33 | 0 | 0 | 0 | 111.1 | L579 S586 V590 M675 L683 | L579-P584 HydrophobicContact CD2-CB 4.45Å; L579-P584 HydrophobicContact CD2-CG 3.84Å; P584-S586 PolarHBondContact O-N 2.68Å; P584-V590 HydrophobicContact CB-CG1 4.19Å; P584-V590 HydrophobicContact CG-CG1 3.93Å; P584-V590 HydrophobicContact CG-CG2 4.17Å; P584-M675 HydrophobicContact CG-CE 3.81Å; P584-M675 WeakPolarHBondContact O-CE 3.49Å; P584-L683 WeakPolarHBondContact CD-O 3.18Å; P584-L683 HydrophobicContact CG-CB 4.38Å; P584-L683 HydrophobicContact CG-CD1 4.2Å; P584-L683 HydrophobicContact CG-CD2 4.11Å; P584-L683 HydrophobicContact CG-CG 4.46Å |
| 585 | A | 94.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 135 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 586 | S | 95.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 161.2 | 168.2 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | P584 M588 S677 D678 | P584-S586 PolarHBondContact O-N 2.68Å; S586-M588 PolarHBondContact O-N 3.01Å; S586-S677 WeakPolarHBondContact CB-O 3.3Å; S586-D678 WeakPolarHBondContact OG-CA 3.31Å |
| 587 | G | 93.9 | Very high | 96 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -2.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q674 M675 | G587-Q674 PolarHBondContact O-NE2 2.8Å; G587-Q674 VanDerWaalsContact O-NE2 3.11Å; G587-M675 PolarHBondContact N-O 3.46Å |
| 588 | M | 95.8 | Very high | 95.8 | Very high | 118 Ų | 118 | 56.5 Ų | 56.5 | 58% | 0.581 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -130 | 160.4 | -180 | -62.6 | -63.5 | -69.1 | 0 | 0 | 110.8 | S586 V590 Q674 | S586-M588 PolarHBondContact O-N 3.01Å; M588-V590 PolarHBondContact O-N 3.24Å; M588-Q674 WeakPolarHBondContact O-CB 3.35Å; M588-Q674 WeakPolarHBondContact O-CG 3.41Å |
| 589 | P | 97.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -56.6 | 133.2 | 169.9 | -24.1 | 33.6 | 0 | 0 | 0 | 112.4 | K591 T607 I609 W672 | P589-K591 PolarHBondContact O-N 3.3Å; P589-T607 WeakPolarHBondContact CB-O 3.42Å; P589-I609 HydrophobicContact CB-CG1 4.18Å; P589-I609 HydrophobicContact CG-CD1 4.23Å; P589-I609 HydrophobicContact CG-CG1 4.19Å; P589-W672 HydrophobicContact CB-CB 4.2Å; P589-W672 HydrophobicContact CB-CG 3.99Å; P589-W672 HydrophobicContact CG-CD2 4.48Å; P589-W672 HydrophobicContact CG-CG 4.1Å |
| 590 | V | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | trans | -73.8 | 120.8 | 175.6 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | L579 P584 M588 F592 G608 V673 L683 | L579-V590 HydrophobicContact CD1-CG1 4.44Å; L579-V590 HydrophobicContact CD2-CG1 4.16Å; P584-V590 HydrophobicContact CB-CG1 4.19Å; P584-V590 HydrophobicContact CG-CG1 3.93Å; P584-V590 HydrophobicContact CG-CG2 4.17Å; M588-V590 PolarHBondContact O-N 3.24Å; V590-F592 HydrophobicContact CB-CD2 4.41Å; V590-F592 HydrophobicContact CB-CE2 3.78Å; V590-F592 HydrophobicContact CB-CZ 4.35Å; V590-F592 HydrophobicContact CG1-CD2 4Å; V590-F592 HydrophobicContact CG1-CE1 4.45Å; V590-F592 HydrophobicContact CG1-CE2 3.51Å; V590-F592 HydrophobicContact CG1-CZ 3.77Å; V590-F592 WeakPolarHBondContact O-CD2 3.45Å; V590-F592 PolarHBondContact O-N 3.28Å; V590-G608 WeakPolarHBondContact O-CA 3.49Å; V590-V673 PolarHBondContact N-O 2.79Å; V590-L683 HydrophobicContact CG1-CD1 4.3Å; V590-L683 HydrophobicContact CG2-CD1 4.15Å | ||
| 591 | K | 97.4 | Very high | 94.2 | Very high | 115 Ų | 115 | 64.2 Ų | 64.2 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | trans | -86.6 | 88.3 | -177.9 | -57.6 | -175.3 | -179.6 | -157.2 | 0 | 110.4 | L579 P589 D593 A606 | L579-K591 WeakPolarHBondContact CD1-O 3.4Å; P589-K591 PolarHBondContact O-N 3.3Å; K591-D593 VanDerWaalsContact C-N 3.32Å; K591-D593 PolarHBondContact O-N 2.73Å; K591-A606 WeakPolarHBondContact CD-O 3.31Å; K591-A606 VanDerWaalsContact CE-O 3.25Å; K591-A606 WeakPolarHBondContact CE-O 3.34Å; K591-A606 PolarHBondContact NZ-O 2.86Å | ||
| 592 | F | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -69.8 | 96 | 167.4 | -56.5 | -101.7 | 0 | 0 | 0 | 107.2 | A577 V578 L579 V590 Y603 V673 S692 F693 | A577-F592 HydrophobicContact CB-CB 3.61Å; V578-F592 CarbonylContact O-C 3.58Å; L579-F592 HydrophobicContact CB-CD1 3.76Å; L579-F592 HydrophobicContact CB-CE1 4.19Å; L579-F592 HydrophobicContact CB-CG 4.4Å; V590-F592 HydrophobicContact CB-CD2 4.41Å; V590-F592 HydrophobicContact CB-CE2 3.78Å; V590-F592 HydrophobicContact CB-CZ 4.35Å; V590-F592 HydrophobicContact CG1-CD2 4Å; V590-F592 HydrophobicContact CG1-CE1 4.45Å; V590-F592 HydrophobicContact CG1-CE2 3.51Å; V590-F592 HydrophobicContact CG1-CZ 3.77Å; V590-F592 WeakPolarHBondContact O-CD2 3.45Å; V590-F592 PolarHBondContact O-N 3.28Å; F592-Y603 WeakPolarHBondContact CA-OH 3.46Å; F592-Y603 WeakPolarHBondContact CB-OH 3.01Å; F592-Y603 PolarHBondContact N-OH 2.7Å; F592-Y603 VanDerWaalsContact N-OH 3.14Å; F592-Y603 WeakPolarHBondContact O-CE1 3.45Å; F592-Y603 PolarHBondContact O-OH 2.94Å; F592-V673 HydrophobicContact CE2-CB 4.03Å; F592-V673 HydrophobicContact CE2-CG1 4.41Å; F592-V673 HydrophobicContact CZ-CB 4.45Å; F592-V673 HydrophobicContact CZ-CG1 4.41Å; F592-S692 VanDerWaalsContact CE1-C 3.47Å; F592-F693 HydrophobicContact CD1-CB 3.95Å; F592-F693 HydrophobicContact CD2-CB 3.65Å; F592-F693 HydrophobicContact CD2-CD1 4.13Å; F592-F693 HydrophobicContact CD2-CG 4.33Å; F592-F693 HydrophobicContact CE1-CB 3.87Å; F592-F693 HydrophobicContact CE2-CB 3.57Å; F592-F693 HydrophobicContact CE2-CD1 4.22Å; F592-F693 HydrophobicContact CE2-CG 4.19Å; F592-F693 HydrophobicContact CG-CB 3.87Å; F592-F693 HydrophobicContact CZ-CB 3.69Å | ||
| 593 | D | 95.2 | Very high | 94.2 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 34% | 0.342 | 32% | 0.323 | S | S | . | . | trans | -82.8 | -32.9 | -162 | 59 | -68.9 | 0 | 0 | 0 | 113 | V578 T580 K591 T595 P605 | V578-D593 PolarHBondContact O-N 2.88Å; T580-D593 WeakPolarHBondContact CB-OD2 3.49Å; T580-D593 WeakPolarHBondContact CG2-OD2 3.34Å; T580-D593 PolarHBondContact N-OD1 2.96Å; T580-D593 VanDerWaalsContact OG1-CG 3.24Å; T580-D593 PolarHBondContact OG1-OD1 3.25Å; T580-D593 PolarHBondContact OG1-OD2 2.57Å; K591-D593 VanDerWaalsContact C-N 3.32Å; K591-D593 PolarHBondContact O-N 2.73Å; D593-T595 PolarHBondContact O-N 3.14Å; D593-P605 WeakPolarHBondContact O-CB 3.45Å | ||
| 594 | R | 95.6 | Very high | 94.2 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 40% | 0.404 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 99.8 | 176.9 | -179.2 | -177.9 | -80 | 179.7 | -1.6 | 109.4 | A577 V578 T580 L596 E687 | A577-R594 WeakPolarHBondContact CA-O 3.27Å; V578-R594 HydrophobicContact CG2-CB 3.79Å; V578-R594 HydrophobicContact CG2-CG 4.01Å; V578-R594 PolarHBondContact N-O 3.36Å; V578-R594 PolarHBondContact O-N 3.23Å; T580-R594 HydrophobicContact CG2-CB 3.6Å; R594-L596 HydrophobicContact CG-CD2 4.37Å; R594-E687 IonicContact CZ-OE1 3.7Å; R594-E687 IonicContact NH1-OE1 2.84Å; R594-E687 IonicContact NH2-OE1 3.93Å; R594-E687 PolarHBondContact NH2-OE1 3.13Å; R594-E687 VanDerWaalsContact NH2-OE1 3.16Å |
| 595 | T | 95 | Very high | 94.2 | Very high | 52 Ų | 52 | 59 Ų | 59 | 32% | 0.319 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 128.4 | 172.2 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | D593 Y597 N598 | D593-T595 PolarHBondContact O-N 3.14Å; T595-Y597 WeakPolarHBondContact CG2-O 3.35Å; T595-N598 HydrophobicContact CG2-CB 3.56Å |
| 596 | L | 94.6 | Very high | 94.3 | Very high | 108 Ų | 108 | 58.8 Ų | 58.8 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -36.4 | 172 | -56.2 | -173.5 | 0 | 0 | 0 | 111.7 | T576 V578 R594 | T576-L596 HydrophobicContact CG2-CB 4.28Å; T576-L596 HydrophobicContact CG2-CD1 4.11Å; T576-L596 HydrophobicContact CG2-CG 4.48Å; T576-L596 WeakPolarHBondContact O-CA 3.15Å; T576-L596 PolarHBondContact O-N 2.8Å; V578-L596 HydrophobicContact CG1-CD1 3.76Å; V578-L596 HydrophobicContact CG1-CG 4.17Å; V578-L596 HydrophobicContact CG2-CD2 4.31Å; V578-L596 HydrophobicContact CG2-CG 4.5Å; R594-L596 HydrophobicContact CG-CD2 4.37Å |
| 597 | Y | 94.7 | Very high | 94.3 | Very high | 111 Ų | 111 | 59.5 Ų | 59.5 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.4 | 174.8 | -177.1 | -96.9 | 0 | 0 | 0 | 109.7 | A574 F575 T576 T595 G599 | A574-Y597 HydrophobicContact CB-CD1 4.42Å; A574-Y597 HydrophobicContact CB-CE1 3.93Å; A574-Y597 VanDerWaalsContact O-CD1 3.28Å; A574-Y597 WeakPolarHBondContact O-CD1 3.49Å; A574-Y597 WeakPolarHBondContact O-CE1 3.31Å; F575-Y597 CarbonylContact C-O 3.46Å; F575-Y597 WeakPolarHBondContact CA-O 3.12Å; F575-Y597 WeakPolarHBondContact CB-O 3.39Å; T576-Y597 PolarHBondContact N-O 2.93Å; T576-Y597 PolarHBondContact O-N 2.98Å; T576-Y597 VanDerWaalsContact O-N 3.08Å; T595-Y597 WeakPolarHBondContact CG2-O 3.35Å; Y597-G599 VanDerWaalsContact CE1-N 3.28Å |
| 598 | N | 93.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 57.5 Ų | 57.5 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 65.9 | 178.6 | -168.1 | 14.5 | 0 | 0 | 0 | 110.9 | A574 F575 T595 H600 S601 G602 Y603 | A574-N598 CarbonylContact O-C 3.55Å; A574-N598 WeakPolarHBondContact O-CA 3.46Å; F575-N598 HydrophobicContact CB-CB 4.39Å; T595-N598 HydrophobicContact CG2-CB 3.56Å; N598-H600 PolarHBondContact O-N 2.61Å; N598-S601 PolarHBondContact O-N 2.81Å; N598-S601 VanDerWaalsContact O-N 3.08Å; N598-S601 WeakPolarHBondContact OD1-CA 3.49Å; N598-G602 PolarHBondContact OD1-N 3.22Å; N598-Y603 PolarHBondContact ND2-O 2.84Å; N598-Y603 PolarHBondContact OD1-N 3.48Å |
| 599 | G | 87.3 | Confident | 94.6 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 133.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A574 Y597 S601 | A574-G599 PolarHBondContact O-N 2.83Å; Y597-G599 VanDerWaalsContact CE1-N 3.28Å; G599-S601 PolarHBondContact O-N 3.13Å |
| 600 | H | 83.6 | Confident | 94.6 | Very high | 111 Ų | 111 | 52 Ų | 52 | 51% | 0.514 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 13.2 | -171.4 | -79.2 | 63.3 | 0 | 0 | 0 | 115.8 | A571 P573 N598 G602 P613 | A571-H600 PolarHBondContact O-CE1 3.48Å; A571-H600 PolarHBondContact O-ND1 3.16Å; P573-H600 HydrophobicContact CG-CB 4.38Å; N598-H600 PolarHBondContact O-N 2.61Å; H600-G602 PolarHBondContact O-N 3.18Å; H600-P613 HydrophobicContact CB-CG 4.37Å |
| 601 | S | 86.8 | Confident | 94.6 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 69% | 0.685 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 26.3 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 115.2 | N598 G599 Y603 | N598-S601 PolarHBondContact O-N 2.81Å; N598-S601 VanDerWaalsContact O-N 3.08Å; N598-S601 WeakPolarHBondContact OD1-CA 3.49Å; G599-S601 PolarHBondContact O-N 3.13Å; S601-Y603 VanDerWaalsContact C-N 3.29Å; S601-Y603 PolarHBondContact O-N 2.84Å |
| 602 | G | 91.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | trans | -68 | -26.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N598 H600 F610 T611 | N598-G602 PolarHBondContact OD1-N 3.22Å; H600-G602 PolarHBondContact O-N 3.18Å; G602-F610 CarbonylContact O-C 3.45Å; G602-F610 WeakPolarHBondContact O-CA 3.45Å; G602-T611 PolarHBondContact O-N 2.84Å | ||
| 603 | Y | 97.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.8 | 176.3 | 178.2 | -101 | 0 | 0 | 0 | 112.3 | F575 A577 F592 N598 S601 P605 F610 F693 | F575-Y603 HydrophobicContact CB-CG 4.5Å; F575-Y603 HydrophobicContact CD2-CD1 4.11Å; F575-Y603 AromaticContact CD2-CD2 3.74Å; F575-Y603 HydrophobicContact CD2-CD2 3.74Å; F575-Y603 AromaticContact CD2-CG 3.51Å; F575-Y603 HydrophobicContact CD2-CG 3.51Å; F575-Y603 AromaticContact CE2-CD2 3.57Å; F575-Y603 HydrophobicContact CE2-CD2 3.57Å; F575-Y603 HydrophobicContact CE2-CE2 4.13Å; F575-Y603 AromaticContact CE2-CG 3.88Å; F575-Y603 HydrophobicContact CE2-CG 3.88Å; F575-Y603 VanDerWaalsContact CG-CB 3.48Å; F575-Y603 HydrophobicContact CG-CD2 4.44Å; F575-Y603 HydrophobicContact CG-CG 4.01Å; F575-Y603 HydrophobicContact CZ-CD2 4.15Å; A577-Y603 HydrophobicContact CB-CD1 4.02Å; A577-Y603 HydrophobicContact CB-CE1 3.47Å; A577-Y603 VanDerWaalsContact CB-CE1 3.47Å; F592-Y603 WeakPolarHBondContact CA-OH 3.46Å; F592-Y603 WeakPolarHBondContact CB-OH 3.01Å; F592-Y603 PolarHBondContact N-OH 2.7Å; F592-Y603 VanDerWaalsContact N-OH 3.14Å; F592-Y603 WeakPolarHBondContact O-CE1 3.45Å; F592-Y603 PolarHBondContact O-OH 2.94Å; N598-Y603 PolarHBondContact ND2-O 2.84Å; N598-Y603 PolarHBondContact OD1-N 3.48Å; S601-Y603 VanDerWaalsContact C-N 3.29Å; S601-Y603 PolarHBondContact O-N 2.84Å; Y603-P605 HydrophobicContact CE1-CB 3.95Å; Y603-F610 HydrophobicContact CD2-CB 4.32Å; Y603-F693 HydrophobicContact CE2-CD1 4.18Å; Y603-F693 HydrophobicContact CE2-CE1 4.4Å |
| 604 | N | 97.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 51 Ų | 51 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 107.2 | 176.3 | -176.6 | -19.7 | 0 | 0 | 0 | 111.1 | A606 T607 G608 I609 | N604-A606 VanDerWaalsContact C-N 3.26Å; N604-A606 PolarHBondContact O-N 2.85Å; N604-A606 WeakPolarHBondContact OD1-CB 3.43Å; N604-A606 PolarHBondContact OD1-N 3.35Å; N604-T607 WeakPolarHBondContact CB-OG1 3.41Å; N604-T607 PolarHBondContact O-N 3.44Å; N604-T607 PolarHBondContact O-OG1 3.42Å; N604-G608 PolarHBondContact O-N 3Å; N604-I609 PolarHBondContact N-O 2.85Å |
| 605 | P | 96 | Very high | 94.1 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 28% | 0.279 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.7 | -178.2 | 26.2 | -34 | 0 | 0 | 0 | 114 | D593 Y603 T607 | D593-P605 WeakPolarHBondContact O-CB 3.45Å; Y603-P605 HydrophobicContact CE1-CB 3.95Å; P605-T607 VanDerWaalsContact C-N 3.33Å |
| 606 | A | 95.8 | Very high | 94.1 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -24.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | K591 N604 | K591-A606 WeakPolarHBondContact CD-O 3.31Å; K591-A606 VanDerWaalsContact CE-O 3.25Å; K591-A606 WeakPolarHBondContact CE-O 3.34Å; K591-A606 PolarHBondContact NZ-O 2.86Å; N604-A606 VanDerWaalsContact C-N 3.26Å; N604-A606 PolarHBondContact O-N 2.85Å; N604-A606 WeakPolarHBondContact OD1-CB 3.43Å; N604-A606 PolarHBondContact OD1-N 3.35Å |
| 607 | T | 96.9 | Very high | 94.2 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -24.9 | 179.1 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | P589 N604 P605 I609 | P589-T607 WeakPolarHBondContact CB-O 3.42Å; N604-T607 WeakPolarHBondContact CB-OG1 3.41Å; N604-T607 PolarHBondContact O-N 3.44Å; N604-T607 PolarHBondContact O-OG1 3.42Å; P605-T607 VanDerWaalsContact C-N 3.33Å; T607-I609 VanDerWaalsContact C-N 3.35Å; T607-I609 PolarHBondContact OG1-N 2.92Å |
| 608 | G | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 11.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V590 N604 W672 | V590-G608 WeakPolarHBondContact O-CA 3.49Å; N604-G608 PolarHBondContact O-N 3Å; G608-W672 WeakPolarHBondContact O-CB 3.22Å |
| 609 | I | 98.1 | Very high | 94.6 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.1 | -170.4 | -56.9 | 172.9 | 0 | 0 | 0 | 110.4 | P589 N604 T607 Q670 W672 | P589-I609 HydrophobicContact CB-CG1 4.18Å; P589-I609 HydrophobicContact CG-CD1 4.23Å; P589-I609 HydrophobicContact CG-CG1 4.19Å; N604-I609 PolarHBondContact N-O 2.85Å; T607-I609 VanDerWaalsContact C-N 3.35Å; T607-I609 PolarHBondContact OG1-N 2.92Å; I609-Q670 HydrophobicContact CG2-CB 3.84Å; I609-Q670 HydrophobicContact CG2-CG 3.99Å; I609-W672 HydrophobicContact CG1-CB 4.13Å; I609-W672 HydrophobicContact CG1-CG 4.46Å; I609-W672 HydrophobicContact CG2-CE3 4.29Å |
| 610 | F | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.3 | 162.2 | 175.9 | -96.4 | 0 | 0 | 0 | 109.8 | F575 G602 Y603 C612 Y618 F620 L665 Q670 V671 | F575-F610 AromaticContact CD1-CD2 3.37Å; F575-F610 HydrophobicContact CD1-CD2 3.37Å; F575-F610 AromaticContact CD1-CE2 3.79Å; F575-F610 HydrophobicContact CD1-CE2 3.79Å; F575-F610 HydrophobicContact CD1-CG 4.18Å; F575-F610 HydrophobicContact CE1-CB 3.86Å; F575-F610 AromaticContact CE1-CD2 3.36Å; F575-F610 HydrophobicContact CE1-CD2 3.36Å; F575-F610 HydrophobicContact CE1-CE2 4.03Å; F575-F610 AromaticContact CE1-CG 3.69Å; F575-F610 HydrophobicContact CE1-CG 3.69Å; F575-F610 HydrophobicContact CG-CD2 4.35Å; F575-F610 HydrophobicContact CZ-CB 4.08Å; F575-F610 HydrophobicContact CZ-CD2 4.34Å; F575-F610 HydrophobicContact CZ-CG 4.41Å; G602-F610 CarbonylContact O-C 3.45Å; G602-F610 WeakPolarHBondContact O-CA 3.45Å; Y603-F610 HydrophobicContact CD2-CB 4.32Å; F610-C612 HydrophobicContact CE1-CB 4.21Å; F610-Y618 HydrophobicContact CE1-CD1 4.27Å; F610-Y618 HydrophobicContact CE1-CE1 4.1Å; F610-Y618 HydrophobicContact CZ-CD1 4.11Å; F610-Y618 AromaticContact CZ-CE1 3.64Å; F610-Y618 HydrophobicContact CZ-CE1 3.64Å; F610-F620 HydrophobicContact CB-CE1 4.32Å; F610-F620 AromaticContact CD1-CE1 3.76Å; F610-F620 HydrophobicContact CD1-CE1 3.76Å; F610-F620 AromaticContact CD1-CZ 3.62Å; F610-F620 HydrophobicContact CD1-CZ 3.62Å; F610-F620 HydrophobicContact CE1-CE1 4.26Å; F610-F620 AromaticContact CE1-CZ 3.81Å; F610-F620 HydrophobicContact CE1-CZ 3.81Å; F610-F620 HydrophobicContact CG-CE1 4.05Å; F610-F620 HydrophobicContact CG-CZ 4.36Å; F610-L665 HydrophobicContact CD1-CD1 4.37Å; F610-L665 HydrophobicContact CE1-CD1 3.92Å; F610-Q670 CarbonylContact O-C 3.45Å; F610-Q670 VanDerWaalsContact O-CA 3.28Å; F610-Q670 WeakPolarHBondContact O-CA 3.23Å; F610-V671 WeakPolarHBondContact CB-O 3.32Å; F610-V671 HydrophobicContact CD1-CB 4.39Å; F610-V671 PolarHBondContact N-O 3.4Å; F610-V671 PolarHBondContact O-N 3.33Å |
| 611 | T | 97.7 | Very high | 95.8 | Very high | 47 Ų | 47 | 33.3 Ų | 33.3 | 29% | 0.288 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124 | 171.4 | -55.2 | 0 | 0 | 0 | 0 | 108.6 | G602 P613 Q670 | G602-T611 PolarHBondContact O-N 2.84Å; T611-P613 VanDerWaalsContact O-CD 3.23Å; T611-P613 WeakPolarHBondContact O-CD 3.38Å; T611-Q670 HydrophobicContact CG2-CG 4.43Å |
| 612 | C | 96 | Very high | 96.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | trans | -64.8 | 113.8 | -175.5 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | F610 V614 Y618 L665 R666 N668 D669 | F610-C612 HydrophobicContact CE1-CB 4.21Å; C612-V614 PolarHBondContact SG-O 3.19Å; C612-Y618 VanDerWaalsContact SG-CE2 3.6Å; C612-L665 HydrophobicContact CB-CB 4.06Å; C612-L665 HydrophobicContact CB-CD1 3.96Å; C612-L665 VanDerWaalsContact SG-CB 3.55Å; C612-R666 WeakPolarHBondContact CB-O 3.38Å; C612-R666 PolarHBondContact SG-O 3.39Å; C612-N668 PolarHBondContact O-N 3.2Å; C612-D669 HydrophobicContact CB-CB 4.3Å; C612-D669 VanDerWaalsContact CB-O 3.28Å; C612-D669 WeakPolarHBondContact CB-O 3.43Å; C612-D669 PolarHBondContact N-O 3.39Å | ||
| 613 | P | 92.9 | Very high | 96.7 | Very high | 54 Ų | 54 | 30.8 Ų | 30.8 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -83.4 | -27.9 | -179.5 | 33.1 | -33.9 | 0 | 0 | 0 | 112.7 | P573 H600 T611 | P573-P613 HydrophobicContact CB-CG 3.69Å; P573-P613 HydrophobicContact CG-CG 3.83Å; H600-P613 HydrophobicContact CB-CG 4.37Å; T611-P613 VanDerWaalsContact O-CD 3.23Å; T611-P613 WeakPolarHBondContact O-CD 3.38Å |
| 614 | V | 92.7 | Very high | 96.7 | Very high | 59 Ų | 59 | 30.6 Ų | 30.6 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -136.9 | 129.3 | -176.5 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | P573 C612 Y618 | P573-V614 HydrophobicContact CG-CB 4.28Å; P573-V614 HydrophobicContact CG-CG2 4.02Å; C612-V614 PolarHBondContact SG-O 3.19Å; V614-Y618 VanDerWaalsContact O-CE2 3.31Å; V614-Y618 WeakPolarHBondContact O-CE2 3.38Å; V614-Y618 PolarHBondContact O-OH 2.98Å |
| 615 | G | 94.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | trans | -57.9 | 139.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L665 T701 | G615-L665 WeakPolarHBondContact CA-O 3.25Å; G615-T701 PolarHBondContact O-N 2.89Å | ||
| 616 | G | 94.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | L665 C699 T701 | G616-L665 PolarHBondContact N-O 2.81Å; G616-L665 PolarHBondContact O-N 3.5Å; G616-C699 CarbonylContact C-O 3.51Å; G616-C699 WeakPolarHBondContact CA-O 3.38Å; G616-T701 WeakPolarHBondContact CA-OG1 3.48Å; G616-T701 PolarHBondContact N-OG1 2.82Å |
| 617 | V | 97 | Very high | 96.9 | Very high | 39 Ų | 39 | 26.6 Ų | 26.6 | 24% | 0.236 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.7 | 168.6 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | V662 Q664 L698 C699 | V617-V662 HydrophobicContact CG1-CG1 3.32Å; V617-Q664 HydrophobicContact CG2-CB 4.48Å; V617-Q664 HydrophobicContact CG2-CG 4.35Å; V617-L698 HydrophobicContact CG1-CD1 4.25Å; V617-L698 WeakPolarHBondContact O-CA 3.26Å; V617-L698 WeakPolarHBondContact O-CB 3.28Å; V617-L698 PolarHBondContact O-N 2.84Å; V617-C699 HydrophobicContact CB-CB 4.42Å; V617-C699 PolarHBondContact N-O 3Å; V617-C699 PolarHBondContact O-N 2.94Å |
| 618 | Y | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.4 | 178.6 | -75.2 | -102.7 | 0 | 0 | 0 | 110.4 | P573 F610 C612 V614 F620 V662 L663 L665 F696 L697 | P573-Y618 HydrophobicContact CB-CE1 4.05Å; F610-Y618 HydrophobicContact CE1-CD1 4.27Å; F610-Y618 HydrophobicContact CE1-CE1 4.1Å; F610-Y618 HydrophobicContact CZ-CD1 4.11Å; F610-Y618 AromaticContact CZ-CE1 3.64Å; F610-Y618 HydrophobicContact CZ-CE1 3.64Å; C612-Y618 VanDerWaalsContact SG-CE2 3.6Å; V614-Y618 VanDerWaalsContact O-CE2 3.31Å; V614-Y618 WeakPolarHBondContact O-CE2 3.38Å; V614-Y618 PolarHBondContact O-OH 2.98Å; Y618-F620 VanDerWaalsContact CB-CE2 3.45Å; Y618-F620 HydrophobicContact CD1-CZ 4.47Å; Y618-F620 HydrophobicContact CG-CE2 4.26Å; Y618-F620 HydrophobicContact CG-CZ 4.44Å; Y618-V662 CarbonylContact O-C 3.57Å; Y618-V662 WeakPolarHBondContact O-CA 3.31Å; Y618-L663 PolarHBondContact N-O 3.08Å; Y618-L663 PolarHBondContact O-N 3.22Å; Y618-L665 HydrophobicContact CD2-CB 3.93Å; Y618-L665 HydrophobicContact CD2-CD1 3.73Å; Y618-L665 HydrophobicContact CD2-CG 3.87Å; Y618-L665 HydrophobicContact CE2-CB 4.19Å; Y618-L665 HydrophobicContact CE2-CD1 4.23Å; Y618-L665 HydrophobicContact CG-CD1 3.95Å; Y618-L665 HydrophobicContact CG-CG 4.39Å; Y618-F696 CarbonylContact C-O 3.48Å; Y618-F696 VanDerWaalsContact CA-O 3.3Å; Y618-F696 WeakPolarHBondContact CA-O 3.25Å; Y618-L697 HydrophobicContact CD1-CB 4.17Å; Y618-L697 HydrophobicContact CD2-CD1 4Å; Y618-L697 HydrophobicContact CE1-CB 3.78Å; Y618-L697 HydrophobicContact CE1-CD1 4.21Å; Y618-L697 HydrophobicContact CE2-CD1 3.58Å; Y618-L697 HydrophobicContact CG-CD1 4.48Å |
| 619 | Y | 98.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 28.9 Ų | 28.9 | 35% | 0.349 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.1 | 163.1 | -178.8 | -111.4 | 0 | 0 | 0 | 109.6 | A621 V662 G695 F696 | Y619-A621 HydrophobicContact CE1-CB 3.79Å; Y619-V662 HydrophobicContact CD2-CG2 3.82Å; Y619-G695 CarbonylContact O-C 3.49Å; Y619-G695 WeakPolarHBondContact O-CA 3.49Å; Y619-F696 HydrophobicContact CD1-CD1 4.47Å; Y619-F696 AromaticContact CD1-CE1 3.63Å; Y619-F696 HydrophobicContact CD1-CE1 3.63Å; Y619-F696 AromaticContact CD1-CZ 3.86Å; Y619-F696 HydrophobicContact CD1-CZ 3.86Å; Y619-F696 HydrophobicContact CE1-CE1 4.5Å; Y619-F696 HydrophobicContact CG-CE1 4.46Å; Y619-F696 HydrophobicContact CG-CZ 4.44Å; Y619-F696 PolarHBondContact N-O 2.91Å; Y619-F696 PolarHBondContact O-N 3.45Å |
| 620 | F | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.5 | 172.3 | -67.8 | -90.8 | 0 | 0 | 0 | 109.7 | F575 F610 Y618 L635 G660 A661 L663 L665 V671 F693 S694 | F575-F620 HydrophobicContact CE1-CD1 4.2Å; F575-F620 AromaticContact CE1-CE1 3.82Å; F575-F620 HydrophobicContact CE1-CE1 3.82Å; F575-F620 HydrophobicContact CZ-CD1 4.24Å; F575-F620 HydrophobicContact CZ-CE1 4.18Å; F610-F620 HydrophobicContact CB-CE1 4.32Å; F610-F620 AromaticContact CD1-CE1 3.76Å; F610-F620 HydrophobicContact CD1-CE1 3.76Å; F610-F620 AromaticContact CD1-CZ 3.62Å; F610-F620 HydrophobicContact CD1-CZ 3.62Å; F610-F620 HydrophobicContact CE1-CE1 4.26Å; F610-F620 AromaticContact CE1-CZ 3.81Å; F610-F620 HydrophobicContact CE1-CZ 3.81Å; F610-F620 HydrophobicContact CG-CE1 4.05Å; F610-F620 HydrophobicContact CG-CZ 4.36Å; Y618-F620 VanDerWaalsContact CB-CE2 3.45Å; Y618-F620 HydrophobicContact CD1-CZ 4.47Å; Y618-F620 HydrophobicContact CG-CE2 4.26Å; Y618-F620 HydrophobicContact CG-CZ 4.44Å; F620-L635 HydrophobicContact CB-CD1 4.37Å; F620-L635 HydrophobicContact CB-CD2 3.92Å; F620-G660 CarbonylContact O-C 3.6Å; F620-G660 WeakPolarHBondContact O-CA 3.36Å; F620-A661 PolarHBondContact N-O 3.04Å; F620-A661 PolarHBondContact O-N 2.76Å; F620-L663 HydrophobicContact CD2-CB 4.29Å; F620-L663 HydrophobicContact CD2-CD1 3.78Å; F620-L663 HydrophobicContact CD2-CG 4.13Å; F620-L663 HydrophobicContact CE2-CB 4.26Å; F620-L663 HydrophobicContact CE2-CD1 4.05Å; F620-L663 HydrophobicContact CE2-CG 4.5Å; F620-L665 HydrophobicContact CE2-CD1 3.81Å; F620-L665 HydrophobicContact CE2-CG 4.49Å; F620-L665 HydrophobicContact CZ-CD1 3.75Å; F620-V671 HydrophobicContact CD1-CG1 3.83Å; F620-V671 HydrophobicContact CD2-CG1 4.19Å; F620-V671 HydrophobicContact CE1-CB 3.88Å; F620-V671 HydrophobicContact CE1-CG1 3.7Å; F620-V671 HydrophobicContact CE1-CG2 4.36Å; F620-V671 HydrophobicContact CE2-CB 4.33Å; F620-V671 HydrophobicContact CE2-CG1 4.08Å; F620-V671 HydrophobicContact CE2-CG2 3.98Å; F620-V671 HydrophobicContact CG-CG1 4.08Å; F620-V671 HydrophobicContact CZ-CB 3.79Å; F620-V671 HydrophobicContact CZ-CG1 3.85Å; F620-V671 HydrophobicContact CZ-CG2 3.75Å; F620-F693 HydrophobicContact CB-CE2 4.28Å; F620-F693 AromaticContact CD1-CE2 3.84Å; F620-F693 HydrophobicContact CD1-CE2 3.84Å; F620-F693 AromaticContact CD1-CZ 3.8Å; F620-F693 HydrophobicContact CD1-CZ 3.8Å; F620-F693 HydrophobicContact CE1-CZ 4.35Å; F620-S694 WeakPolarHBondContact CA-O 3.18Å |
| 621 | A | 98.2 | Very high | 96.5 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 24% | 0.24 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y619 G659 S694 | Y619-A621 HydrophobicContact CE1-CB 3.79Å; A621-G659 CarbonylContact C-O 3.59Å; A621-G659 WeakPolarHBondContact CA-O 2.99Å; A621-S694 PolarHBondContact N-O 2.79Å; A621-S694 PolarHBondContact O-N 3.29Å; A621-S694 VanDerWaalsContact O-O 3.09Å |
| 622 | Y | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.9 | 170.5 | 54.9 | -86.7 | 0 | 0 | 0 | 109.8 | V624 V633 L635 T643 T645 S658 G659 V673 S692 | Y622-V624 HydrophobicContact CD2-CG1 4.41Å; Y622-V633 HydrophobicContact CD2-CG1 4.09Å; Y622-V633 HydrophobicContact CE2-CB 4.14Å; Y622-V633 HydrophobicContact CE2-CG1 3.68Å; Y622-L635 HydrophobicContact CD1-CD1 4.47Å; Y622-L635 HydrophobicContact CE1-CB 3.97Å; Y622-T643 HydrophobicContact CE1-CG2 4.47Å; Y622-T645 WeakPolarHBondContact OH-CB 3.33Å; Y622-T645 PolarHBondContact OH-OG1 3.23Å; Y622-S658 VanDerWaalsContact O-CA 3.31Å; Y622-S658 WeakPolarHBondContact O-CA 2.93Å; Y622-G659 WeakPolarHBondContact CD1-O 3.43Å; Y622-G659 PolarHBondContact N-O 2.84Å; Y622-G659 PolarHBondContact O-N 3.09Å; Y622-V673 HydrophobicContact CD1-CG2 3.93Å; Y622-V673 HydrophobicContact CG-CG2 4.12Å; Y622-S692 VanDerWaalsContact CA-O 3.26Å; Y622-S692 WeakPolarHBondContact CA-O 3.24Å; Y622-S692 WeakPolarHBondContact CB-O 3.2Å |
| 623 | H | 98.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 22% | 0.222 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.2 | 173.9 | 169.4 | -74.8 | 0 | 0 | 0 | 107.2 | H625 Q656 S658 S691 S692 | H623-H625 AromaticContact CE1-CD2 3.78Å; H623-H625 AromaticContact CE1-CE1 3.87Å; H623-H625 AromaticContact CE1-NE2 3.48Å; H623-H625 PolarHBondContact CE1-NE2 2.87Å; H623-Q656 PolarHBondContact CE1-NE2 3.07Å; H623-Q656 PolarHBondContact NE2-NE2 2.8Å; H623-S658 PolarHBondContact CD2-OG 2.82Å; H623-S691 CarbonylContact O-C 3.47Å; H623-S691 VanDerWaalsContact O-CA 3.22Å; H623-S691 WeakPolarHBondContact O-CA 3.48Å; H623-S692 PolarHBondContact N-O 3.41Å; H623-S692 PolarHBondContact O-N 3.43Å |
| 624 | V | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.8 | -178.8 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | Y622 V631 V633 Q656 A657 L683 S691 | Y622-V624 HydrophobicContact CD2-CG1 4.41Å; V624-V631 HydrophobicContact CG2-CG1 4.36Å; V624-V633 HydrophobicContact CG2-CG2 4.2Å; V624-Q656 WeakPolarHBondContact O-CA 3.43Å; V624-A657 HydrophobicContact CG2-CB 3.9Å; V624-A657 PolarHBondContact N-O 3.43Å; V624-A657 PolarHBondContact O-N 2.91Å; V624-L683 HydrophobicContact CB-CG 4.12Å; V624-L683 HydrophobicContact CG1-CD1 3.89Å; V624-L683 HydrophobicContact CG1-CD2 4.48Å; V624-L683 HydrophobicContact CG1-CG 3.93Å; V624-S691 WeakPolarHBondContact CA-OG 3.38Å |
| 625 | H | 97.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 10% | 0.102 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 145 | 167.9 | -70.1 | -89.8 | 0 | 0 | 0 | 110.7 | H623 L654 D655 Q656 Y684 I689 H690 S691 | H623-H625 AromaticContact CE1-CD2 3.78Å; H623-H625 AromaticContact CE1-CE1 3.87Å; H623-H625 AromaticContact CE1-NE2 3.48Å; H623-H625 PolarHBondContact CE1-NE2 2.87Å; H625-L654 HydrophobicContact CB-CD1 4.27Å; H625-D655 WeakPolarHBondContact CA-O 3.18Å; H625-Q656 PolarHBondContact CE1-NE2 2.92Å; H625-Q656 VanDerWaalsContact CE1-NE2 3.29Å; H625-Q656 WeakPolarHBondContact ND1-CG 3.4Å; H625-Y684 PolarHBondContact O-N 3.31Å; H625-I689 HydrophobicContact CB-CG2 3.96Å; H625-I689 WeakPolarHBondContact CD2-CG2 3.4Å; H625-I689 VanDerWaalsContact CG-CG2 3.41Å; H625-H690 PolarHBondContact CD2-O 3.45Å; H625-S691 PolarHBondContact N-OG 2.96Å |
| 626 | V | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.1 | -173.1 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | V631 D647 D655 A657 G682 | V626-V631 HydrophobicContact CG1-CB 4.12Å; V626-V631 HydrophobicContact CG1-CG1 4.3Å; V626-V631 HydrophobicContact CG2-CB 4.08Å; V626-V631 HydrophobicContact CG2-CG1 3.54Å; V626-D647 HydrophobicContact CG2-CB 4.24Å; V626-D647 WeakPolarHBondContact CG2-OD2 3.35Å; V626-D655 HydrophobicContact CB-CB 4.13Å; V626-D655 PolarHBondContact N-O 2.7Å; V626-D655 PolarHBondContact O-N 2.9Å; V626-D655 VanDerWaalsContact O-N 3.16Å; V626-A657 HydrophobicContact CG2-CB 4.19Å; V626-G682 WeakPolarHBondContact CA-O 3.34Å |
| 627 | K | 96.4 | Very high | 97.5 | Very high | 76 Ų | 76 | 29.5 Ų | 29.5 | 33% | 0.33 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 142.7 | -178.3 | -159 | -178.3 | -178.2 | 178.8 | 0 | 112.5 | F583 T629 Y649 L654 G682 Y684 | F583-K627 WeakPolarHBondContact CE1-O 3.48Å; K627-T629 PolarHBondContact O-N 2.89Å; K627-Y649 HydrophobicContact CB-CE2 4.47Å; K627-Y649 HydrophobicContact CG-CE2 4.2Å; K627-L654 HydrophobicContact CB-CD1 3.94Å; K627-L654 HydrophobicContact CD-CD1 4.17Å; K627-L654 HydrophobicContact CG-CD1 4.18Å; K627-G682 PolarHBondContact N-O 2.94Å; K627-G682 WeakPolarHBondContact O-CA 3.46Å; K627-Y684 HydrophobicContact CB-CD1 4.21Å; K627-Y684 HydrophobicContact CB-CD2 4.03Å; K627-Y684 HydrophobicContact CB-CG 3.69Å; K627-Y684 HydrophobicContact CD-CD1 3.8Å; K627-Y684 HydrophobicContact CD-CD2 3.65Å; K627-Y684 HydrophobicContact CD-CE1 3.72Å; K627-Y684 HydrophobicContact CD-CE2 3.6Å; K627-Y684 HydrophobicContact CD-CG 3.74Å; K627-Y684 HydrophobicContact CG-CD2 4.47Å; K627-Y684 HydrophobicContact CG-CG 4.39Å; K627-Y684 PolarHBondContact NZ-OH 3.22Å; K627-Y684 VanDerWaalsContact NZ-OH 3.09Å |
| 628 | G | 94 | Very high | 97.5 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 47% | 0.474 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 83.2 | -49.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y649 | G628-Y649 VanDerWaalsContact N-CD2 3.33Å; G628-Y649 VanDerWaalsContact N-CZ 3.27Å; G628-Y649 VanDerWaalsContact O-CD1 3.27Å; G628-Y649 WeakPolarHBondContact O-CD1 3.33Å |
| 629 | T | 94.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 34% | 0.337 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 166.5 | 173.7 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | K627 Y649 N681 G682 | K627-T629 PolarHBondContact O-N 2.89Å; T629-Y649 WeakPolarHBondContact O-CB 3.44Å; T629-N681 PolarHBondContact OG1-OD1 3Å; T629-G682 WeakPolarHBondContact O-CA 3.28Å; T629-G682 WeakPolarHBondContact OG1-CA 3.21Å; T629-G682 PolarHBondContact OG1-N 2.68Å; T629-G682 VanDerWaalsContact OG1-N 3.15Å |
| 630 | N | 96.7 | Very high | 97.3 | Very high | 50 Ų | 50 | 37 Ų | 37 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 157.6 | 172.5 | -60.1 | -4.1 | 0 | 0 | 0 | 109.8 | Y646 D647 Y649 A680 N681 G682 | N630-Y646 HydrophobicContact CB-CE2 4.09Å; N630-Y646 PolarHBondContact ND2-OH 3.4Å; N630-D647 WeakPolarHBondContact CA-O 3.26Å; N630-D647 WeakPolarHBondContact CB-O 3.42Å; N630-Y649 PolarHBondContact OD1-N 2.91Å; N630-A680 HydrophobicContact CB-CB 4.49Å; N630-A680 CarbonylContact O-C 3.53Å; N630-A680 WeakPolarHBondContact O-CA 3.15Å; N630-N681 PolarHBondContact O-N 3.45Å; N630-G682 PolarHBondContact O-N 2.79Å |
| 631 | V | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.2 | 172.7 | 87.2 | 0 | 0 | 0 | 0 | 110.5 | V624 V626 V633 Y646 D647 A657 M675 A680 L683 | V624-V631 HydrophobicContact CG2-CG1 4.36Å; V626-V631 HydrophobicContact CG1-CB 4.12Å; V626-V631 HydrophobicContact CG1-CG1 4.3Å; V626-V631 HydrophobicContact CG2-CB 4.08Å; V626-V631 HydrophobicContact CG2-CG1 3.54Å; V631-V633 HydrophobicContact CG1-CG2 4.27Å; V631-V633 HydrophobicContact CG2-CG2 3.6Å; V631-Y646 WeakPolarHBondContact O-CA 3.44Å; V631-Y646 VanDerWaalsContact O-CD2 3.25Å; V631-Y646 WeakPolarHBondContact O-CD2 3.14Å; V631-D647 HydrophobicContact CG1-CB 4.15Å; V631-D647 PolarHBondContact N-O 2.98Å; V631-D647 PolarHBondContact O-N 3.49Å; V631-A657 HydrophobicContact CG1-CB 4.43Å; V631-M675 HydrophobicContact CG2-SD 4.21Å; V631-A680 CarbonylContact C-O 3.55Å; V631-A680 WeakPolarHBondContact CA-O 3.41Å; V631-L683 HydrophobicContact CG2-CB 3.87Å |
| 632 | W | 97.7 | Very high | 97 | Very high | 85 Ų | 85 | 40.1 Ų | 40.1 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 111 | 165.7 | -175.2 | 29.1 | 0 | 0 | 0 | 108.7 | Y644 Y646 M675 P676 A680 | W632-Y644 AromaticContact CE2-CD1 3.81Å; W632-Y644 AromaticContact CZ2-CD1 3.86Å; W632-Y644 HydrophobicContact CZ2-CD1 3.86Å; W632-Y644 AromaticContact CZ2-CE1 3.69Å; W632-Y644 HydrophobicContact CZ2-CE1 3.69Å; W632-Y644 AromaticContact NE1-CD1 3.33Å; W632-Y644 VanDerWaalsContact NE1-CD1 3.33Å; W632-Y644 AromaticContact NE1-CG 4Å; W632-Y646 HydrophobicContact CB-CD2 4.03Å; W632-Y646 HydrophobicContact CG-CD2 4.42Å; W632-M675 VanDerWaalsContact O-CA 3.31Å; W632-M675 WeakPolarHBondContact O-CA 3.45Å; W632-M675 WeakPolarHBondContact O-CB 3.46Å; W632-P676 HydrophobicContact CD2-CB 4.41Å; W632-P676 HydrophobicContact CD2-CG 4.02Å; W632-P676 HydrophobicContact CE3-CB 3.97Å; W632-P676 HydrophobicContact CE3-CG 4.09Å; W632-P676 HydrophobicContact CH2-CB 3.9Å; W632-P676 HydrophobicContact CH2-CG 4.17Å; W632-P676 HydrophobicContact CZ2-CB 4.34Å; W632-P676 HydrophobicContact CZ2-CG 4.1Å; W632-P676 HydrophobicContact CZ3-CB 3.71Å; W632-P676 HydrophobicContact CZ3-CG 4.18Å; W632-P676 VanDerWaalsContact O-CD 3.23Å; W632-P676 WeakPolarHBondContact O-CD 3.35Å; W632-A680 HydrophobicContact CB-CB 3.57Å; W632-A680 PolarHBondContact N-O 3.22Å |
| 633 | V | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.9 | -176.8 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | Y622 V624 V631 Y644 T645 V673 M675 L683 | Y622-V633 HydrophobicContact CD2-CG1 4.09Å; Y622-V633 HydrophobicContact CE2-CB 4.14Å; Y622-V633 HydrophobicContact CE2-CG1 3.68Å; V624-V633 HydrophobicContact CG2-CG2 4.2Å; V631-V633 HydrophobicContact CG1-CG2 4.27Å; V631-V633 HydrophobicContact CG2-CG2 3.6Å; V633-Y644 CarbonylContact O-C 3.58Å; V633-Y644 WeakPolarHBondContact O-CA 3.33Å; V633-T645 PolarHBondContact N-O 3.16Å; V633-T645 PolarHBondContact O-N 3.48Å; V633-V673 HydrophobicContact CG1-CG1 3.23Å; V633-M675 HydrophobicContact CG2-CG 4.38Å; V633-L683 HydrophobicContact CG2-CD1 4.49Å |
| 634 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y636 P641 T643 Y644 V673 Q674 P676 | A634-Y636 HydrophobicContact CB-CD2 4.1Å; A634-Y636 HydrophobicContact CB-CE2 3.58Å; A634-P641 HydrophobicContact CB-CB 4.41Å; A634-T643 VanDerWaalsContact CA-O 3.31Å; A634-T643 WeakPolarHBondContact CA-O 3.23Å; A634-Y644 HydrophobicContact CB-CD1 3.57Å; A634-Y644 HydrophobicContact CB-CE1 3.79Å; A634-Y644 HydrophobicContact CB-CG 4.48Å; A634-V673 WeakPolarHBondContact O-CA 3.41Å; A634-Q674 PolarHBondContact N-O 2.77Å; A634-Q674 PolarHBondContact O-N 3.21Å; A634-P676 HydrophobicContact CB-CG 3.93Å |
| 635 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.9 | 166.6 | -175.4 | 73.5 | 0 | 0 | 0 | 107.8 | F620 Y622 A642 T643 A661 L663 V671 V673 F693 | F620-L635 HydrophobicContact CB-CD1 4.37Å; F620-L635 HydrophobicContact CB-CD2 3.92Å; Y622-L635 HydrophobicContact CD1-CD1 4.47Å; Y622-L635 HydrophobicContact CE1-CB 3.97Å; L635-A642 PolarHBondContact O-N 3.24Å; L635-T643 HydrophobicContact CB-CG2 3.75Å; L635-T643 HydrophobicContact CD2-CG2 4.17Å; L635-T643 PolarHBondContact N-O 3.02Å; L635-A661 HydrophobicContact CD2-CB 3.83Å; L635-L663 HydrophobicContact CD2-CD1 3.98Å; L635-V671 HydrophobicContact CD1-CG1 3.77Å; L635-V671 HydrophobicContact CG-CG1 4.17Å; L635-V673 HydrophobicContact CD1-CG2 3.83Å; L635-F693 HydrophobicContact CD1-CE2 3.68Å; L635-F693 HydrophobicContact CD1-CZ 3.89Å |
| 636 | Y | 98.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 142.8 | 178.5 | -74.8 | -94.8 | 0 | 0 | 0 | 111.1 | A634 V640 P641 V671 W672 Q674 | A634-Y636 HydrophobicContact CB-CD2 4.1Å; A634-Y636 HydrophobicContact CB-CE2 3.58Å; Y636-V640 CarbonylContact C-O 2.97Å; Y636-V640 WeakPolarHBondContact CA-O 3.4Å; Y636-P641 HydrophobicContact CD1-CB 4.11Å; Y636-P641 HydrophobicContact CE1-CB 3.85Å; Y636-P641 HydrophobicContact CE1-CG 4.14Å; Y636-V671 VanDerWaalsContact O-CA 3.23Å; Y636-V671 WeakPolarHBondContact O-CA 3.4Å; Y636-V671 WeakPolarHBondContact O-CG1 3.35Å; Y636-W672 VanDerWaalsContact CB-CE2 3.48Å; Y636-W672 HydrophobicContact CD1-CZ2 4.45Å; Y636-W672 AromaticContact CD2-NE1 3.78Å; Y636-W672 AromaticContact CG-CE2 3.96Å; Y636-W672 HydrophobicContact CG-CZ2 4.17Å; Y636-W672 AromaticContact CG-NE1 3.83Å; Y636-W672 PolarHBondContact N-O 3.37Å; Y636-W672 PolarHBondContact O-N 3.06Å; Y636-W672 VanDerWaalsContact O-N 3.11Å; Y636-Q674 HydrophobicContact CD2-CB 3.83Å; Y636-Q674 HydrophobicContact CD2-CG 4.42Å; Y636-Q674 HydrophobicContact CE2-CB 3.69Å; Y636-Q674 HydrophobicContact CE2-CG 3.83Å |
| 637 | K | 98 | Very high | 96.8 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 21% | 0.213 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.2 | 163.3 | -179.1 | -169.4 | 171 | 178.4 | 0 | 108.3 | N639 V640 L663 Q664 L665 D669 Q670 V671 | K637-N639 VanDerWaalsContact C-N 3.28Å; K637-N639 PolarHBondContact O-N 3.05Å; K637-V640 PolarHBondContact N-O 3.42Å; K637-V640 WeakPolarHBondContact O-CA 3.48Å; K637-V640 WeakPolarHBondContact O-CB 3.4Å; K637-V640 PolarHBondContact O-N 3.12Å; K637-L663 HydrophobicContact CB-CD1 4.37Å; K637-Q664 PolarHBondContact NZ-O 3.19Å; K637-L665 HydrophobicContact CD-CD2 3.73Å; K637-L665 HydrophobicContact CG-CD2 4.03Å; K637-D669 WeakPolarHBondContact CE-OD2 3.26Å; K637-D669 IonicContact NZ-OD2 3.16Å; K637-D669 PolarHBondContact NZ-OD2 3.29Å; K637-Q670 CarbonylContact C-O 3.52Å; K637-Q670 WeakPolarHBondContact CA-O 3.49Å; K637-V671 HydrophobicContact CB-CG2 4.5Å; K637-V671 HydrophobicContact CG-CG2 4.36Å |
| 638 | N | 96.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 54 Ų | 54 | 35% | 0.348 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 44.5 | 178.7 | -60.9 | -11.9 | 0 | 0 | 0 | 113.9 | V640 D669 Q670 | N638-V640 PolarHBondContact O-N 2.91Å; N638-D669 PolarHBondContact ND2-OD1 3.35Å; N638-D669 WeakPolarHBondContact OD1-CA 3.41Å; N638-Q670 PolarHBondContact N-O 2.84Å; N638-Q670 PolarHBondContact OD1-N 3.47Å; N638-Q670 PolarHBondContact OD1-O 3.08Å |
| 639 | N | 95.1 | Very high | 96.9 | Very high | 123 Ų | 123 | 54.2 Ų | 54.2 | 66% | 0.658 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -0.7 | -173.8 | -49.5 | -77.8 | 0 | 0 | 0 | 116.1 | K637 W672 | K637-N639 VanDerWaalsContact C-N 3.28Å; K637-N639 PolarHBondContact O-N 3.05Å; N639-W672 HydrophobicContact CB-CH2 4.28Å; N639-W672 WeakPolarHBondContact OD1-CH2 3.35Å |
| 640 | V | 96.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 57.9 Ų | 57.9 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.2 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | Y636 K637 N638 A642 | Y636-V640 CarbonylContact C-O 2.97Å; Y636-V640 WeakPolarHBondContact CA-O 3.4Å; K637-V640 PolarHBondContact N-O 3.42Å; K637-V640 WeakPolarHBondContact O-CA 3.48Å; K637-V640 WeakPolarHBondContact O-CB 3.4Å; K637-V640 PolarHBondContact O-N 3.12Å; N638-V640 PolarHBondContact O-N 2.91Å; V640-A642 PolarHBondContact O-N 3.1Å |
| 641 | P | 95.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 64.8 Ų | 64.8 | 29% | 0.286 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 123.4 | 174.5 | 26.9 | -30.6 | 0 | 0 | 0 | 109.9 | A634 Y636 Y644 | A634-P641 HydrophobicContact CB-CB 4.41Å; Y636-P641 HydrophobicContact CD1-CB 4.11Å; Y636-P641 HydrophobicContact CE1-CB 3.85Å; Y636-P641 HydrophobicContact CE1-CG 4.14Å; P641-Y644 HydrophobicContact CB-CE1 4Å; P641-Y644 HydrophobicContact CB-CE2 4.1Å; P641-Y644 WeakPolarHBondContact CB-OH 3.44Å; P641-Y644 HydrophobicContact CG-CE1 4.47Å; P641-Y644 HydrophobicContact CG-CE2 4.33Å; P641-Y644 WeakPolarHBondContact CG-OH 3.34Å |
| 642 | A | 95.5 | Very high | 96.3 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -31.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L635 V640 L663 | L635-A642 PolarHBondContact O-N 3.24Å; V640-A642 PolarHBondContact O-N 3.1Å; A642-L663 HydrophobicContact CB-CD2 3.78Å |
| 643 | T | 96.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 72 Ų | 72 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.9 | 171 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | Y622 A634 L635 A661 | Y622-T643 HydrophobicContact CE1-CG2 4.47Å; A634-T643 VanDerWaalsContact CA-O 3.31Å; A634-T643 WeakPolarHBondContact CA-O 3.23Å; L635-T643 HydrophobicContact CB-CG2 3.75Å; L635-T643 HydrophobicContact CD2-CG2 4.17Å; L635-T643 PolarHBondContact N-O 3.02Å; T643-A661 HydrophobicContact CG2-CB 4.14Å |
| 644 | Y | 97.1 | Very high | 95.9 | Very high | 121 Ų | 121 | 75.8 Ų | 75.8 | 48% | 0.475 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.3 | 177.9 | -62.3 | -86.4 | 0 | 0 | 0 | 110 | W632 V633 A634 P641 | W632-Y644 AromaticContact CE2-CD1 3.81Å; W632-Y644 AromaticContact CZ2-CD1 3.86Å; W632-Y644 HydrophobicContact CZ2-CD1 3.86Å; W632-Y644 AromaticContact CZ2-CE1 3.69Å; W632-Y644 HydrophobicContact CZ2-CE1 3.69Å; W632-Y644 AromaticContact NE1-CD1 3.33Å; W632-Y644 VanDerWaalsContact NE1-CD1 3.33Å; W632-Y644 AromaticContact NE1-CG 4Å; V633-Y644 CarbonylContact O-C 3.58Å; V633-Y644 WeakPolarHBondContact O-CA 3.33Å; A634-Y644 HydrophobicContact CB-CD1 3.57Å; A634-Y644 HydrophobicContact CB-CE1 3.79Å; A634-Y644 HydrophobicContact CB-CG 4.48Å; P641-Y644 HydrophobicContact CB-CE1 4Å; P641-Y644 HydrophobicContact CB-CE2 4.1Å; P641-Y644 WeakPolarHBondContact CB-OH 3.44Å; P641-Y644 HydrophobicContact CG-CE1 4.47Å; P641-Y644 HydrophobicContact CG-CE2 4.33Å; P641-Y644 WeakPolarHBondContact CG-OH 3.34Å |
| 645 | T | 98 | Very high | 95.8 | Very high | 21 Ų | 21 | 78.2 Ų | 78.2 | 13% | 0.129 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.8 | 167.9 | -67.2 | 0 | 0 | 0 | 0 | 108.1 | Y622 V633 A657 | Y622-T645 WeakPolarHBondContact OH-CB 3.33Å; Y622-T645 PolarHBondContact OH-OG1 3.23Å; V633-T645 PolarHBondContact N-O 3.16Å; V633-T645 PolarHBondContact O-N 3.48Å; T645-A657 HydrophobicContact CG2-CB 3.75Å |
| 646 | Y | 97.5 | Very high | 95.7 | Very high | 116 Ų | 116 | 83.8 Ų | 83.8 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140 | 175.1 | 174.8 | -98.2 | 0 | 0 | 0 | 108.9 | N630 V631 W632 E648 | N630-Y646 HydrophobicContact CB-CE2 4.09Å; N630-Y646 PolarHBondContact ND2-OH 3.4Å; V631-Y646 WeakPolarHBondContact O-CA 3.44Å; V631-Y646 VanDerWaalsContact O-CD2 3.25Å; V631-Y646 WeakPolarHBondContact O-CD2 3.14Å; W632-Y646 HydrophobicContact CB-CD2 4.03Å; W632-Y646 HydrophobicContact CG-CD2 4.42Å; Y646-E648 HydrophobicContact CD1-CG 4.44Å; Y646-E648 HydrophobicContact CE1-CG 3.49Å; Y646-E648 VanDerWaalsContact CE1-CG 3.49Å; Y646-E648 PolarHBondContact OH-OE1 3.49Å |
| 647 | D | 97.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 82.8 Ų | 82.8 | 19% | 0.187 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 147.5 | 176.7 | -175.3 | 30 | 0 | 0 | 0 | 111.4 | V626 N630 V631 A657 | V626-D647 HydrophobicContact CG2-CB 4.24Å; V626-D647 WeakPolarHBondContact CG2-OD2 3.35Å; N630-D647 WeakPolarHBondContact CA-O 3.26Å; N630-D647 WeakPolarHBondContact CB-O 3.42Å; V631-D647 HydrophobicContact CG1-CB 4.15Å; V631-D647 PolarHBondContact N-O 2.98Å; V631-D647 PolarHBondContact O-N 3.49Å; D647-A657 HydrophobicContact CB-CB 3.72Å |
| 648 | E | 96 | Very high | 95.7 | Very high | 109 Ų | 109 | 83.9 Ų | 83.9 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | trans | -103.5 | 121.4 | -167.9 | -62.9 | -161.2 | 149 | 0 | 0 | 112.4 | Y646 K650 | Y646-E648 HydrophobicContact CD1-CG 4.44Å; Y646-E648 HydrophobicContact CE1-CG 3.49Å; Y646-E648 VanDerWaalsContact CE1-CG 3.49Å; Y646-E648 PolarHBondContact OH-OE1 3.49Å; E648-K650 PolarHBondContact O-N 2.79Å; E648-K650 VanDerWaalsContact O-N 3.17Å | ||
| 649 | Y | 95.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 81.5 Ų | 81.5 | 20% | 0.2 | 42% | 0.422 | C | S | . | . | trans | -76.5 | 110.2 | -179.6 | 175.4 | -108.4 | 0 | 0 | 0 | 111.9 | K627 G628 T629 N630 K651 G652 Y653 | K627-Y649 HydrophobicContact CB-CE2 4.47Å; K627-Y649 HydrophobicContact CG-CE2 4.2Å; G628-Y649 VanDerWaalsContact N-CD2 3.33Å; G628-Y649 VanDerWaalsContact N-CZ 3.27Å; G628-Y649 VanDerWaalsContact O-CD1 3.27Å; G628-Y649 WeakPolarHBondContact O-CD1 3.33Å; T629-Y649 WeakPolarHBondContact O-CB 3.44Å; N630-Y649 PolarHBondContact OD1-N 2.91Å; Y649-K651 HydrophobicContact CE1-CB 4.47Å; Y649-K651 PolarHBondContact O-N 3.22Å; Y649-G652 PolarHBondContact OH-N 2.81Å; Y649-Y653 WeakPolarHBondContact CE2-O 3.39Å | ||
| 650 | K | 93.4 | Very high | 95.7 | Very high | 132 Ų | 132 | 77 Ų | 77 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | trans | -80.7 | 116.7 | 169 | -70.2 | 166.2 | -170.3 | 146.5 | 0 | 109.8 | E648 G652 Y653 | E648-K650 PolarHBondContact O-N 2.79Å; E648-K650 VanDerWaalsContact O-N 3.17Å; K650-G652 PolarHBondContact O-N 2.86Å; K650-G652 VanDerWaalsContact O-N 3.12Å; K650-Y653 HydrophobicContact CB-CD2 4.33Å; K650-Y653 PolarHBondContact O-N 2.93Å | ||
| 651 | K | 92.7 | Very high | 95.8 | Very high | 194 Ų | 194 | 73.2 Ų | 73.2 | 84% | 0.843 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 118.7 | -177.7 | -173 | 178.7 | -178.3 | 179.4 | 0 | 112.1 | Y649 | Y649-K651 HydrophobicContact CE1-CB 4.47Å; Y649-K651 PolarHBondContact O-N 3.22Å |
| 652 | G | 90.4 | Very high | 95.9 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 68% | 0.68 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -12.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y649 K650 | Y649-G652 PolarHBondContact OH-N 2.81Å; K650-G652 PolarHBondContact O-N 2.86Å; K650-G652 VanDerWaalsContact O-N 3.12Å |
| 653 | Y | 93.5 | Very high | 96 | Very high | 171 Ų | 171 | 74 Ų | 74 | 67% | 0.671 | 38% | 0.381 | S | S | * | . | trans | -111.7 | 133.3 | -178.6 | -64.4 | -89.3 | 0 | 0 | 0 | 110.7 | Y649 K650 | Y649-Y653 WeakPolarHBondContact CE2-O 3.39Å; K650-Y653 HydrophobicContact CB-CD2 4.33Å; K650-Y653 PolarHBondContact O-N 2.93Å | ||
| 654 | L | 94.4 | Very high | 96 | Very high | 79 Ų | 79 | 78.3 Ų | 78.3 | 41% | 0.414 | 40% | 0.399 | S | S | . | . | trans | -83.5 | 127.3 | 169.7 | -175.4 | 76.9 | 0 | 0 | 0 | 107.9 | H625 K627 Y684 I689 | H625-L654 HydrophobicContact CB-CD1 4.27Å; K627-L654 HydrophobicContact CB-CD1 3.94Å; K627-L654 HydrophobicContact CD-CD1 4.17Å; K627-L654 HydrophobicContact CG-CD1 4.18Å; L654-Y684 HydrophobicContact CD1-CD1 3.77Å; L654-Y684 HydrophobicContact CD1-CE1 4.3Å; L654-I689 HydrophobicContact CD2-CD1 4.06Å; L654-I689 HydrophobicContact CD2-CG2 4.16Å | ||
| 655 | D | 96.3 | Very high | 96 | Very high | 52 Ų | 52 | 72.6 Ų | 72.6 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 172.6 | 176.4 | -134.5 | -38.1 | 0 | 0 | 0 | 112.2 | H625 V626 | H625-D655 WeakPolarHBondContact CA-O 3.18Å; V626-D655 HydrophobicContact CB-CB 4.13Å; V626-D655 PolarHBondContact N-O 2.7Å; V626-D655 PolarHBondContact O-N 2.9Å; V626-D655 VanDerWaalsContact O-N 3.16Å |
| 656 | Q | 96.4 | Very high | 96 | Very high | 116 Ų | 116 | 80.5 Ų | 80.5 | 54% | 0.542 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 118 | -178.7 | -73 | 178.4 | -73.5 | 0 | 0 | 111.1 | H623 V624 H625 | H623-Q656 PolarHBondContact CE1-NE2 3.07Å; H623-Q656 PolarHBondContact NE2-NE2 2.8Å; V624-Q656 WeakPolarHBondContact O-CA 3.43Å; H625-Q656 PolarHBondContact CE1-NE2 2.92Å; H625-Q656 VanDerWaalsContact CE1-NE2 3.29Å; H625-Q656 WeakPolarHBondContact ND1-CG 3.4Å |
| 657 | A | 96.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 78.5 Ų | 78.5 | 7% | 0.066 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 145.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V624 V626 V631 T645 D647 | V624-A657 HydrophobicContact CG2-CB 3.9Å; V624-A657 PolarHBondContact N-O 3.43Å; V624-A657 PolarHBondContact O-N 2.91Å; V626-A657 HydrophobicContact CG2-CB 4.19Å; V631-A657 HydrophobicContact CG1-CB 4.43Å; T645-A657 HydrophobicContact CG2-CB 3.75Å; D647-A657 HydrophobicContact CB-CB 3.72Å |
| 658 | S | 97.8 | Very high | 95.8 | Very high | 72 Ų | 72 | 82.9 Ų | 82.9 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.7 | 176.2 | -66.3 | 0 | 0 | 0 | 0 | 110.5 | Y622 H623 | Y622-S658 VanDerWaalsContact O-CA 3.31Å; Y622-S658 WeakPolarHBondContact O-CA 2.93Å; H623-S658 PolarHBondContact CD2-OG 2.82Å |
| 659 | G | 96.7 | Very high | 95.9 | Very high | 14 Ų | 14 | 78.3 Ų | 78.3 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 160 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A621 Y622 | A621-G659 CarbonylContact C-O 3.59Å; A621-G659 WeakPolarHBondContact CA-O 2.99Å; Y622-G659 WeakPolarHBondContact CD1-O 3.43Å; Y622-G659 PolarHBondContact N-O 2.84Å; Y622-G659 PolarHBondContact O-N 3.09Å |
| 660 | G | 96.4 | Very high | 96 | Very high | 29 Ų | 29 | 79.6 Ų | 79.6 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 162.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F620 | F620-G660 CarbonylContact O-C 3.6Å; F620-G660 WeakPolarHBondContact O-CA 3.36Å |
| 661 | A | 97.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 73.3 Ų | 73.3 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 144.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F620 L635 T643 L663 | F620-A661 PolarHBondContact N-O 3.04Å; F620-A661 PolarHBondContact O-N 2.76Å; L635-A661 HydrophobicContact CD2-CB 3.83Å; T643-A661 HydrophobicContact CG2-CB 4.14Å; A661-L663 HydrophobicContact CB-CD2 3.95Å; A661-L663 HydrophobicContact CB-CG 4.15Å |
| 662 | V | 98 | Very high | 96.5 | Very high | 90 Ų | 90 | 64.5 Ų | 64.5 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120.1 | 163.5 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | V617 Y618 Y619 L698 | V617-V662 HydrophobicContact CG1-CG1 3.32Å; Y618-V662 CarbonylContact O-C 3.57Å; Y618-V662 WeakPolarHBondContact O-CA 3.31Å; Y619-V662 HydrophobicContact CD2-CG2 3.82Å; V662-L698 HydrophobicContact CG1-CD1 4.22Å; V662-L698 HydrophobicContact CG2-CD1 4.28Å |
| 663 | L | 97.5 | Very high | 96.9 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.4 | -177.7 | -58.2 | -179.2 | 0 | 0 | 0 | 109.7 | Y618 F620 L635 K637 A642 A661 L665 V671 | Y618-L663 PolarHBondContact N-O 3.08Å; Y618-L663 PolarHBondContact O-N 3.22Å; F620-L663 HydrophobicContact CD2-CB 4.29Å; F620-L663 HydrophobicContact CD2-CD1 3.78Å; F620-L663 HydrophobicContact CD2-CG 4.13Å; F620-L663 HydrophobicContact CE2-CB 4.26Å; F620-L663 HydrophobicContact CE2-CD1 4.05Å; F620-L663 HydrophobicContact CE2-CG 4.5Å; L635-L663 HydrophobicContact CD2-CD1 3.98Å; K637-L663 HydrophobicContact CB-CD1 4.37Å; A642-L663 HydrophobicContact CB-CD2 3.78Å; A661-L663 HydrophobicContact CB-CD2 3.95Å; A661-L663 HydrophobicContact CB-CG 4.15Å; L663-L665 HydrophobicContact CB-CD2 3.95Å; L663-L665 HydrophobicContact CB-CG 4.42Å; L663-L665 PolarHBondContact O-N 3.08Å; L663-V671 HydrophobicContact CD1-CG1 4.07Å; L663-V671 HydrophobicContact CD1-CG2 4.14Å |
| 664 | Q | 97.3 | Very high | 97.1 | Very high | 131 Ų | 131 | 54.5 Ų | 54.5 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 123.4 | 164.6 | -169.8 | 177.8 | 21.3 | 0 | 0 | 108.8 | V617 K637 | V617-Q664 HydrophobicContact CG2-CB 4.48Å; V617-Q664 HydrophobicContact CG2-CG 4.35Å; K637-Q664 PolarHBondContact NZ-O 3.19Å |
| 665 | L | 97.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.7 | -177.6 | -58.5 | -171.4 | 0 | 0 | 0 | 110.9 | F610 C612 G615 G616 Y618 F620 K637 L663 D669 V671 | F610-L665 HydrophobicContact CD1-CD1 4.37Å; F610-L665 HydrophobicContact CE1-CD1 3.92Å; C612-L665 HydrophobicContact CB-CB 4.06Å; C612-L665 HydrophobicContact CB-CD1 3.96Å; C612-L665 VanDerWaalsContact SG-CB 3.55Å; G615-L665 WeakPolarHBondContact CA-O 3.25Å; G616-L665 PolarHBondContact N-O 2.81Å; G616-L665 PolarHBondContact O-N 3.5Å; Y618-L665 HydrophobicContact CD2-CB 3.93Å; Y618-L665 HydrophobicContact CD2-CD1 3.73Å; Y618-L665 HydrophobicContact CD2-CG 3.87Å; Y618-L665 HydrophobicContact CE2-CB 4.19Å; Y618-L665 HydrophobicContact CE2-CD1 4.23Å; Y618-L665 HydrophobicContact CG-CD1 3.95Å; Y618-L665 HydrophobicContact CG-CG 4.39Å; F620-L665 HydrophobicContact CE2-CD1 3.81Å; F620-L665 HydrophobicContact CE2-CG 4.49Å; F620-L665 HydrophobicContact CZ-CD1 3.75Å; K637-L665 HydrophobicContact CD-CD2 3.73Å; K637-L665 HydrophobicContact CG-CD2 4.03Å; L663-L665 HydrophobicContact CB-CD2 3.95Å; L663-L665 HydrophobicContact CB-CG 4.42Å; L663-L665 PolarHBondContact O-N 3.08Å; L665-D669 WeakPolarHBondContact CA-OD2 3.44Å; L665-D669 HydrophobicContact CB-CB 4.12Å; L665-D669 HydrophobicContact CD2-CB 4.08Å; L665-V671 HydrophobicContact CD1-CG2 3.81Å; L665-V671 HydrophobicContact CD2-CG2 3.76Å; L665-V671 HydrophobicContact CG-CG2 4.47Å |
| 666 | R | 96.8 | Very high | 97.2 | Very high | 186 Ų | 186 | 50.1 Ų | 50.1 | 70% | 0.702 | 27% | 0.271 | S | S | * | . | trans | -90.6 | 157.2 | 164.7 | -75.1 | -178.9 | -81.1 | -146.5 | -5.1 | 110 | C612 N668 D669 | C612-R666 WeakPolarHBondContact CB-O 3.38Å; C612-R666 PolarHBondContact SG-O 3.39Å; R666-N668 PolarHBondContact O-N 3.42Å; R666-D669 PolarHBondContact N-OD2 3.33Å; R666-D669 VanDerWaalsContact O-CB 3.25Å; R666-D669 WeakPolarHBondContact O-CB 3.28Å; R666-D669 PolarHBondContact O-N 3.24Å | ||
| 667 | P | 94.5 | Very high | 97 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 134.4 | 172.2 | -25.2 | 34 | 0 | 0 | 0 | 111.3 | D669 | P667-D669 VanDerWaalsContact C-N 3.29Å; P667-D669 PolarHBondContact O-N 3.21Å |
| 668 | N | 95.8 | Very high | 96.8 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 67% | 0.674 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 1.9 | -172.3 | -44 | -75.1 | 0 | 0 | 0 | 117 | C612 R666 Q670 | C612-N668 PolarHBondContact O-N 3.2Å; R666-N668 PolarHBondContact O-N 3.42Å; N668-Q670 PolarHBondContact O-N 3.37Å |
| 669 | D | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 55 Ų | 55 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | trans | -59.2 | 136.7 | 166.3 | -82.3 | -11.7 | 0 | 0 | 0 | 109.4 | C612 K637 N638 L665 R666 P667 | C612-D669 HydrophobicContact CB-CB 4.3Å; C612-D669 VanDerWaalsContact CB-O 3.28Å; C612-D669 WeakPolarHBondContact CB-O 3.43Å; C612-D669 PolarHBondContact N-O 3.39Å; K637-D669 WeakPolarHBondContact CE-OD2 3.26Å; K637-D669 IonicContact NZ-OD2 3.16Å; K637-D669 PolarHBondContact NZ-OD2 3.29Å; N638-D669 PolarHBondContact ND2-OD1 3.35Å; N638-D669 WeakPolarHBondContact OD1-CA 3.41Å; L665-D669 WeakPolarHBondContact CA-OD2 3.44Å; L665-D669 HydrophobicContact CB-CB 4.12Å; L665-D669 HydrophobicContact CD2-CB 4.08Å; R666-D669 PolarHBondContact N-OD2 3.33Å; R666-D669 VanDerWaalsContact O-CB 3.25Å; R666-D669 WeakPolarHBondContact O-CB 3.28Å; R666-D669 PolarHBondContact O-N 3.24Å; P667-D669 VanDerWaalsContact C-N 3.29Å; P667-D669 PolarHBondContact O-N 3.21Å | ||
| 670 | Q | 98.3 | Very high | 96.4 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.7 | -177.9 | -70.9 | -176.7 | -13.5 | 0 | 0 | 111.5 | I609 F610 T611 K637 N638 N668 W672 | I609-Q670 HydrophobicContact CG2-CB 3.84Å; I609-Q670 HydrophobicContact CG2-CG 3.99Å; F610-Q670 CarbonylContact O-C 3.45Å; F610-Q670 VanDerWaalsContact O-CA 3.28Å; F610-Q670 WeakPolarHBondContact O-CA 3.23Å; T611-Q670 HydrophobicContact CG2-CG 4.43Å; K637-Q670 CarbonylContact C-O 3.52Å; K637-Q670 WeakPolarHBondContact CA-O 3.49Å; N638-Q670 PolarHBondContact N-O 2.84Å; N638-Q670 PolarHBondContact OD1-N 3.47Å; N638-Q670 PolarHBondContact OD1-O 3.08Å; N668-Q670 PolarHBondContact O-N 3.37Å; Q670-W672 HydrophobicContact CB-CE3 4.25Å; Q670-W672 HydrophobicContact CB-CZ3 3.89Å |
| 671 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 134.1 | 178 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | F610 F620 L635 Y636 K637 L663 L665 F693 | F610-V671 WeakPolarHBondContact CB-O 3.32Å; F610-V671 HydrophobicContact CD1-CB 4.39Å; F610-V671 PolarHBondContact N-O 3.4Å; F610-V671 PolarHBondContact O-N 3.33Å; F620-V671 HydrophobicContact CD1-CG1 3.83Å; F620-V671 HydrophobicContact CD2-CG1 4.19Å; F620-V671 HydrophobicContact CE1-CB 3.88Å; F620-V671 HydrophobicContact CE1-CG1 3.7Å; F620-V671 HydrophobicContact CE1-CG2 4.36Å; F620-V671 HydrophobicContact CE2-CB 4.33Å; F620-V671 HydrophobicContact CE2-CG1 4.08Å; F620-V671 HydrophobicContact CE2-CG2 3.98Å; F620-V671 HydrophobicContact CG-CG1 4.08Å; F620-V671 HydrophobicContact CZ-CB 3.79Å; F620-V671 HydrophobicContact CZ-CG1 3.85Å; F620-V671 HydrophobicContact CZ-CG2 3.75Å; L635-V671 HydrophobicContact CD1-CG1 3.77Å; L635-V671 HydrophobicContact CG-CG1 4.17Å; Y636-V671 VanDerWaalsContact O-CA 3.23Å; Y636-V671 WeakPolarHBondContact O-CA 3.4Å; Y636-V671 WeakPolarHBondContact O-CG1 3.35Å; K637-V671 HydrophobicContact CB-CG2 4.5Å; K637-V671 HydrophobicContact CG-CG2 4.36Å; L663-V671 HydrophobicContact CD1-CG1 4.07Å; L663-V671 HydrophobicContact CD1-CG2 4.14Å; L665-V671 HydrophobicContact CD1-CG2 3.81Å; L665-V671 HydrophobicContact CD2-CG2 3.76Å; L665-V671 HydrophobicContact CG-CG2 4.47Å; V671-F693 HydrophobicContact CG1-CZ 4.31Å |
| 672 | W | 98.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 4% | 0.038 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 167.1 | 177.1 | 66 | 95.4 | 0 | 0 | 0 | 112 | P589 G608 I609 Y636 N639 Q670 | P589-W672 HydrophobicContact CB-CB 4.2Å; P589-W672 HydrophobicContact CB-CG 3.99Å; P589-W672 HydrophobicContact CG-CD2 4.48Å; P589-W672 HydrophobicContact CG-CG 4.1Å; G608-W672 WeakPolarHBondContact O-CB 3.22Å; I609-W672 HydrophobicContact CG1-CB 4.13Å; I609-W672 HydrophobicContact CG1-CG 4.46Å; I609-W672 HydrophobicContact CG2-CE3 4.29Å; Y636-W672 VanDerWaalsContact CB-CE2 3.48Å; Y636-W672 HydrophobicContact CD1-CZ2 4.45Å; Y636-W672 AromaticContact CD2-NE1 3.78Å; Y636-W672 AromaticContact CG-CE2 3.96Å; Y636-W672 HydrophobicContact CG-CZ2 4.17Å; Y636-W672 AromaticContact CG-NE1 3.83Å; Y636-W672 PolarHBondContact N-O 3.37Å; Y636-W672 PolarHBondContact O-N 3.06Å; Y636-W672 VanDerWaalsContact O-N 3.11Å; N639-W672 HydrophobicContact CB-CH2 4.28Å; N639-W672 WeakPolarHBondContact OD1-CH2 3.35Å; Q670-W672 HydrophobicContact CB-CE3 4.25Å; Q670-W672 HydrophobicContact CB-CZ3 3.89Å |
| 673 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.8 | 172.8 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | V590 F592 Y622 V633 A634 L635 F693 | V590-V673 PolarHBondContact N-O 2.79Å; F592-V673 HydrophobicContact CE2-CB 4.03Å; F592-V673 HydrophobicContact CE2-CG1 4.41Å; F592-V673 HydrophobicContact CZ-CB 4.45Å; F592-V673 HydrophobicContact CZ-CG1 4.41Å; Y622-V673 HydrophobicContact CD1-CG2 3.93Å; Y622-V673 HydrophobicContact CG-CG2 4.12Å; V633-V673 HydrophobicContact CG1-CG1 3.23Å; A634-V673 WeakPolarHBondContact O-CA 3.41Å; L635-V673 HydrophobicContact CD1-CG2 3.83Å; V673-F693 HydrophobicContact CG2-CD1 4.11Å; V673-F693 HydrophobicContact CG2-CD2 3.57Å; V673-F693 HydrophobicContact CG2-CE1 4.18Å; V673-F693 HydrophobicContact CG2-CE2 3.64Å; V673-F693 HydrophobicContact CG2-CG 3.83Å; V673-F693 HydrophobicContact CG2-CZ 3.95Å |
| 674 | Q | 97.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 51 Ų | 51 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 147.1 | -178.9 | 159.5 | 172.6 | -11.9 | 0 | 0 | 111 | G587 M588 A634 Y636 P676 | G587-Q674 PolarHBondContact O-NE2 2.8Å; G587-Q674 VanDerWaalsContact O-NE2 3.11Å; M588-Q674 WeakPolarHBondContact O-CB 3.35Å; M588-Q674 WeakPolarHBondContact O-CG 3.41Å; A634-Q674 PolarHBondContact N-O 2.77Å; A634-Q674 PolarHBondContact O-N 3.21Å; Y636-Q674 HydrophobicContact CD2-CB 3.83Å; Y636-Q674 HydrophobicContact CD2-CG 4.42Å; Y636-Q674 HydrophobicContact CE2-CB 3.69Å; Y636-Q674 HydrophobicContact CE2-CG 3.83Å; Q674-P676 WeakPolarHBondContact O-CD 3.46Å |
| 675 | M | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -91 | 116.2 | 169.4 | -62.9 | 178.5 | -60.8 | 0 | 0 | 109.3 | P584 G587 V631 W632 V633 S677 N681 L683 | P584-M675 HydrophobicContact CG-CE 3.81Å; P584-M675 WeakPolarHBondContact O-CE 3.49Å; G587-M675 PolarHBondContact N-O 3.46Å; V631-M675 HydrophobicContact CG2-SD 4.21Å; W632-M675 VanDerWaalsContact O-CA 3.31Å; W632-M675 WeakPolarHBondContact O-CA 3.45Å; W632-M675 WeakPolarHBondContact O-CB 3.46Å; V633-M675 HydrophobicContact CG2-CG 4.38Å; M675-S677 VanDerWaalsContact C-N 3.31Å; M675-S677 PolarHBondContact O-N 2.94Å; M675-N681 HydrophobicContact CE-CB 4.13Å; M675-N681 HydrophobicContact SD-CB 4.2Å; M675-L683 HydrophobicContact CE-CB 4.28Å; M675-L683 HydrophobicContact CG-CD1 4.43Å; M675-L683 HydrophobicContact SD-CB 3.45Å; M675-L683 WeakPolarHBondContact SD-CB 3.3Å; M675-L683 HydrophobicContact SD-CD1 4.05Å; M675-L683 HydrophobicContact SD-CG 4.41Å | ||
| 676 | P | 94.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 25% | 0.253 | 23% | 0.232 | S | C | . | . | trans | -73.9 | -19.4 | -174.1 | -17.1 | 31.6 | 0 | 0 | 0 | 114.3 | W632 A634 Q674 | W632-P676 HydrophobicContact CD2-CB 4.41Å; W632-P676 HydrophobicContact CD2-CG 4.02Å; W632-P676 HydrophobicContact CE3-CB 3.97Å; W632-P676 HydrophobicContact CE3-CG 4.09Å; W632-P676 HydrophobicContact CH2-CB 3.9Å; W632-P676 HydrophobicContact CH2-CG 4.17Å; W632-P676 HydrophobicContact CZ2-CB 4.34Å; W632-P676 HydrophobicContact CZ2-CG 4.1Å; W632-P676 HydrophobicContact CZ3-CB 3.71Å; W632-P676 HydrophobicContact CZ3-CG 4.18Å; W632-P676 VanDerWaalsContact O-CD 3.23Å; W632-P676 WeakPolarHBondContact O-CD 3.35Å; A634-P676 HydrophobicContact CB-CG 3.93Å; Q674-P676 WeakPolarHBondContact O-CD 3.46Å | ||
| 677 | S | 93.3 | Very high | 95.8 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | trans | -130.1 | 148.7 | -177.2 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | S586 M675 Q679 | S586-S677 WeakPolarHBondContact CB-O 3.3Å; M675-S677 VanDerWaalsContact C-N 3.31Å; M675-S677 PolarHBondContact O-N 2.94Å; S677-Q679 PolarHBondContact OG-N 2.95Å; S677-Q679 VanDerWaalsContact OG-N 3.11Å | ||
| 678 | D | 92.3 | Very high | 95.6 | Very high | 107 Ų | 107 | 48.5 Ų | 48.5 | 57% | 0.572 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -75.4 | -24.6 | 169.1 | 61.5 | -27 | 0 | 0 | 0 | 113.1 | S586 A680 N681 | S586-D678 WeakPolarHBondContact OG-CA 3.31Å; D678-A680 VanDerWaalsContact C-N 3.26Å; D678-A680 PolarHBondContact O-N 3.42Å; D678-N681 PolarHBondContact O-ND2 3.28Å; D678-N681 PolarHBondContact O-OD1 2.77Å |
| 679 | Q | 91.6 | Very high | 95.5 | Very high | 164 Ų | 164 | 44.9 Ų | 44.9 | 77% | 0.766 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -22.2 | 178 | -60.1 | -176.4 | -4.9 | 0 | 0 | 113.2 | S677 | S677-Q679 PolarHBondContact OG-N 2.95Å; S677-Q679 VanDerWaalsContact OG-N 3.11Å |
| 680 | A | 94.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 54.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110.9 | N630 V631 W632 D678 | N630-A680 HydrophobicContact CB-CB 4.49Å; N630-A680 CarbonylContact O-C 3.53Å; N630-A680 WeakPolarHBondContact O-CA 3.15Å; V631-A680 CarbonylContact C-O 3.55Å; V631-A680 WeakPolarHBondContact CA-O 3.41Å; W632-A680 HydrophobicContact CB-CB 3.57Å; W632-A680 PolarHBondContact N-O 3.22Å; D678-A680 VanDerWaalsContact C-N 3.26Å; D678-A680 PolarHBondContact O-N 3.42Å |
| 681 | N | 96 | Very high | 95.3 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 20.5 | -174.4 | 67.2 | -7.1 | 0 | 0 | 0 | 114.5 | T629 N630 M675 D678 L683 | T629-N681 PolarHBondContact OG1-OD1 3Å; N630-N681 PolarHBondContact O-N 3.45Å; M675-N681 HydrophobicContact CE-CB 4.13Å; M675-N681 HydrophobicContact SD-CB 4.2Å; D678-N681 PolarHBondContact O-ND2 3.28Å; D678-N681 PolarHBondContact O-OD1 2.77Å; N681-L683 PolarHBondContact O-N 3.33Å |
| 682 | G | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 20.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117 | V626 K627 T629 N630 Y684 | V626-G682 WeakPolarHBondContact CA-O 3.34Å; K627-G682 PolarHBondContact N-O 2.94Å; K627-G682 WeakPolarHBondContact O-CA 3.46Å; T629-G682 WeakPolarHBondContact O-CA 3.28Å; T629-G682 WeakPolarHBondContact OG1-CA 3.21Å; T629-G682 PolarHBondContact OG1-N 2.68Å; T629-G682 VanDerWaalsContact OG1-N 3.15Å; N630-G682 PolarHBondContact O-N 2.79Å; G682-Y684 PolarHBondContact O-N 3.48Å |
| 683 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 113.6 | 179.7 | -165.9 | 171.5 | 0 | 0 | 0 | 109.3 | L579 F583 P584 V590 V624 V631 V633 M675 N681 | L579-L683 HydrophobicContact CD2-CD2 3.41Å; L579-L683 VanDerWaalsContact CD2-CD2 3.41Å; F583-L683 WeakPolarHBondContact CA-O 3.42Å; F583-L683 PolarHBondContact N-O 2.82Å; P584-L683 WeakPolarHBondContact CD-O 3.18Å; P584-L683 HydrophobicContact CG-CB 4.38Å; P584-L683 HydrophobicContact CG-CD1 4.2Å; P584-L683 HydrophobicContact CG-CD2 4.11Å; P584-L683 HydrophobicContact CG-CG 4.46Å; V590-L683 HydrophobicContact CG1-CD1 4.3Å; V590-L683 HydrophobicContact CG2-CD1 4.15Å; V624-L683 HydrophobicContact CB-CG 4.12Å; V624-L683 HydrophobicContact CG1-CD1 3.89Å; V624-L683 HydrophobicContact CG1-CD2 4.48Å; V624-L683 HydrophobicContact CG1-CG 3.93Å; V631-L683 HydrophobicContact CG2-CB 3.87Å; V633-L683 HydrophobicContact CG2-CD1 4.49Å; M675-L683 HydrophobicContact CE-CB 4.28Å; M675-L683 HydrophobicContact CG-CD1 4.43Å; M675-L683 HydrophobicContact SD-CB 3.45Å; M675-L683 WeakPolarHBondContact SD-CB 3.3Å; M675-L683 HydrophobicContact SD-CD1 4.05Å; M675-L683 HydrophobicContact SD-CG 4.41Å; N681-L683 PolarHBondContact O-N 3.33Å |
| 684 | Y | 97.7 | Very high | 95.3 | Very high | 32 Ų | 32 | 46 Ų | 46 | 13% | 0.125 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.3 | -174.6 | -172.8 | -111.1 | 0 | 0 | 0 | 111.4 | P582 F583 H625 K627 L654 G682 T686 I689 S691 | P582-Y684 HydrophobicContact CB-CD2 3.62Å; P582-Y684 HydrophobicContact CB-CE2 3.74Å; F583-Y684 HydrophobicContact CE1-CD2 4.09Å; F583-Y684 HydrophobicContact CE2-CD2 4.15Å; F583-Y684 HydrophobicContact CE2-CE2 4.38Å; F583-Y684 AromaticContact CZ-CD2 3.69Å; F583-Y684 HydrophobicContact CZ-CD2 3.69Å; F583-Y684 HydrophobicContact CZ-CE2 4.22Å; H625-Y684 PolarHBondContact O-N 3.31Å; K627-Y684 HydrophobicContact CB-CD1 4.21Å; K627-Y684 HydrophobicContact CB-CD2 4.03Å; K627-Y684 HydrophobicContact CB-CG 3.69Å; K627-Y684 HydrophobicContact CD-CD1 3.8Å; K627-Y684 HydrophobicContact CD-CD2 3.65Å; K627-Y684 HydrophobicContact CD-CE1 3.72Å; K627-Y684 HydrophobicContact CD-CE2 3.6Å; K627-Y684 HydrophobicContact CD-CG 3.74Å; K627-Y684 HydrophobicContact CG-CD2 4.47Å; K627-Y684 HydrophobicContact CG-CG 4.39Å; K627-Y684 PolarHBondContact NZ-OH 3.22Å; K627-Y684 VanDerWaalsContact NZ-OH 3.09Å; L654-Y684 HydrophobicContact CD1-CD1 3.77Å; L654-Y684 HydrophobicContact CD1-CE1 4.3Å; G682-Y684 PolarHBondContact O-N 3.48Å; Y684-T686 HydrophobicContact CE1-CG2 3.92Å; Y684-T686 HydrophobicContact CE2-CG2 4.21Å; Y684-T686 WeakPolarHBondContact OH-CG2 3.33Å; Y684-I689 HydrophobicContact CD1-CG2 4.14Å; Y684-I689 HydrophobicContact CE1-CD1 4.05Å; Y684-I689 HydrophobicContact CE1-CG2 4.33Å; Y684-S691 PolarHBondContact O-OG 3.4Å |
| 685 | S | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -156.9 | 151.8 | 172.8 | -148.2 | 0 | 0 | 0 | 0 | 110.6 | L579 S581 P582 I689 S691 | L579-S685 VanDerWaalsContact O-CB 3.26Å; L579-S685 WeakPolarHBondContact O-CB 3.43Å; L579-S685 PolarHBondContact O-OG 3.47Å; S581-S685 CarbonylContact C-O 3.47Å; P582-S685 WeakPolarHBondContact CA-O 3.08Å; P582-S685 WeakPolarHBondContact CB-O 3.49Å; P582-S685 WeakPolarHBondContact CD-O 3.42Å; P582-S685 VanDerWaalsContact N-O 3.12Å; S685-I689 CarbonylContact C-O 3.55Å; S685-I689 WeakPolarHBondContact CA-O 3.42Å; S685-I689 PolarHBondContact OG-O 2.93Å; S685-I689 VanDerWaalsContact OG-O 3.13Å; S685-S691 PolarHBondContact OG-N 2.97Å | ||
| 686 | T | 94.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 49 Ų | 49 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | trans | -148.7 | -177.7 | 175.3 | 70.6 | 0 | 0 | 0 | 0 | 110 | Y684 Y688 I689 H690 | Y684-T686 HydrophobicContact CE1-CG2 3.92Å; Y684-T686 HydrophobicContact CE2-CG2 4.21Å; Y684-T686 WeakPolarHBondContact OH-CG2 3.33Å; T686-Y688 PolarHBondContact O-N 3.12Å; T686-Y688 PolarHBondContact OG1-N 3.15Å; T686-Y688 VanDerWaalsContact OG1-N 3.13Å; T686-I689 PolarHBondContact N-O 2.78Å; T686-I689 PolarHBondContact OG1-N 3.13Å; T686-I689 VanDerWaalsContact OG1-N 3.12Å; T686-H690 PolarHBondContact O-ND1 3.47Å; T686-H690 VanDerWaalsContact O-ND1 3.08Å | ||
| 687 | E | 89.1 | Confident | 95.3 | Very high | 108 Ų | 108 | 48.2 Ų | 48.2 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -64.7 | -13.9 | 170.7 | -174.5 | 153 | -126.2 | 0 | 0 | 114.4 | R594 H690 | R594-E687 IonicContact CZ-OE1 3.7Å; R594-E687 IonicContact NH1-OE1 2.84Å; R594-E687 IonicContact NH2-OE1 3.93Å; R594-E687 PolarHBondContact NH2-OE1 3.13Å; R594-E687 VanDerWaalsContact NH2-OE1 3.16Å; E687-H690 PolarHBondContact O-CE1 3.39Å |
| 688 | Y | 90.3 | Very high | 95.3 | Very high | 203 Ų | 203 | 51.4 Ų | 51.4 | 80% | 0.796 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -118.7 | -11.1 | 180 | -52.7 | -64.6 | 0 | 0 | 0 | 114.3 | T686 | T686-Y688 PolarHBondContact O-N 3.12Å; T686-Y688 PolarHBondContact OG1-N 3.15Å; T686-Y688 VanDerWaalsContact OG1-N 3.13Å |
| 689 | I | 94.1 | Very high | 95.2 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -132.6 | 104.3 | -176 | -66.7 | 172.3 | 0 | 0 | 0 | 106.1 | H625 L654 Y684 S685 T686 | H625-I689 HydrophobicContact CB-CG2 3.96Å; H625-I689 WeakPolarHBondContact CD2-CG2 3.4Å; H625-I689 VanDerWaalsContact CG-CG2 3.41Å; L654-I689 HydrophobicContact CD2-CD1 4.06Å; L654-I689 HydrophobicContact CD2-CG2 4.16Å; Y684-I689 HydrophobicContact CD1-CG2 4.14Å; Y684-I689 HydrophobicContact CE1-CD1 4.05Å; Y684-I689 HydrophobicContact CE1-CG2 4.33Å; S685-I689 CarbonylContact C-O 3.55Å; S685-I689 WeakPolarHBondContact CA-O 3.42Å; S685-I689 PolarHBondContact OG-O 2.93Å; S685-I689 VanDerWaalsContact OG-O 3.13Å; T686-I689 PolarHBondContact N-O 2.78Å; T686-I689 PolarHBondContact OG1-N 3.13Å; T686-I689 VanDerWaalsContact OG1-N 3.12Å |
| 690 | H | 93.7 | Very high | 95.1 | Very high | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.356 | 23% | 0.234 | S | C | . | . | trans | -104.2 | 112.8 | -166.7 | -61.2 | -40.2 | 0 | 0 | 0 | 112.5 | V578 H625 T686 E687 | V578-H690 HydrophobicContact CB-CB 4.39Å; V578-H690 HydrophobicContact CG1-CB 4.26Å; H625-H690 PolarHBondContact CD2-O 3.45Å; T686-H690 PolarHBondContact O-ND1 3.47Å; T686-H690 VanDerWaalsContact O-ND1 3.08Å; E687-H690 PolarHBondContact O-CE1 3.39Å | ||
| 691 | S | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -76.4 | 131.2 | 154.6 | -69.3 | 0 | 0 | 0 | 0 | 109.3 | V578 L579 H623 V624 H625 Y684 S685 | V578-S691 WeakPolarHBondContact CA-O 3.05Å; L579-S691 PolarHBondContact N-O 2.79Å; H623-S691 CarbonylContact O-C 3.47Å; H623-S691 VanDerWaalsContact O-CA 3.22Å; H623-S691 WeakPolarHBondContact O-CA 3.48Å; V624-S691 WeakPolarHBondContact CA-OG 3.38Å; H625-S691 PolarHBondContact N-OG 2.96Å; Y684-S691 PolarHBondContact O-OG 3.4Å; S685-S691 PolarHBondContact OG-N 2.97Å | ||
| 692 | S | 98.2 | Very high | 94.5 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.3 | -173.4 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | A577 F592 Y622 H623 | A577-S692 CarbonylContact O-C 3.53Å; A577-S692 VanDerWaalsContact O-CA 3.32Å; A577-S692 WeakPolarHBondContact O-CA 3.5Å; F592-S692 VanDerWaalsContact CE1-C 3.47Å; Y622-S692 VanDerWaalsContact CA-O 3.26Å; Y622-S692 WeakPolarHBondContact CA-O 3.24Å; Y622-S692 WeakPolarHBondContact CB-O 3.2Å; H623-S692 PolarHBondContact N-O 3.41Å; H623-S692 PolarHBondContact O-N 3.43Å |
| 693 | F | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 130.2 | 171.7 | 176.9 | -139.3 | 0 | 0 | 0 | 109.4 | F575 A577 F592 Y603 F620 L635 V671 V673 | F575-F693 AromaticContact CE2-CD1 3.67Å; F575-F693 HydrophobicContact CE2-CD1 3.67Å; F575-F693 AromaticContact CE2-CE1 3.85Å; F575-F693 HydrophobicContact CE2-CE1 3.85Å; F575-F693 HydrophobicContact CE2-CG 4.08Å; F575-F693 HydrophobicContact CE2-CZ 4.39Å; F575-F693 AromaticContact CZ-CD1 3.88Å; F575-F693 HydrophobicContact CZ-CD1 3.88Å; F575-F693 HydrophobicContact CZ-CD2 4.45Å; F575-F693 AromaticContact CZ-CE1 3.58Å; F575-F693 HydrophobicContact CZ-CE1 3.58Å; F575-F693 HydrophobicContact CZ-CE2 4.19Å; F575-F693 HydrophobicContact CZ-CG 4.3Å; F575-F693 AromaticContact CZ-CZ 3.75Å; F575-F693 HydrophobicContact CZ-CZ 3.75Å; A577-F693 PolarHBondContact N-O 2.92Å; A577-F693 PolarHBondContact O-N 3.05Å; F592-F693 HydrophobicContact CD1-CB 3.95Å; F592-F693 HydrophobicContact CD2-CB 3.65Å; F592-F693 HydrophobicContact CD2-CD1 4.13Å; F592-F693 HydrophobicContact CD2-CG 4.33Å; F592-F693 HydrophobicContact CE1-CB 3.87Å; F592-F693 HydrophobicContact CE2-CB 3.57Å; F592-F693 HydrophobicContact CE2-CD1 4.22Å; F592-F693 HydrophobicContact CE2-CG 4.19Å; F592-F693 HydrophobicContact CG-CB 3.87Å; F592-F693 HydrophobicContact CZ-CB 3.69Å; Y603-F693 HydrophobicContact CE2-CD1 4.18Å; Y603-F693 HydrophobicContact CE2-CE1 4.4Å; F620-F693 HydrophobicContact CB-CE2 4.28Å; F620-F693 AromaticContact CD1-CE2 3.84Å; F620-F693 HydrophobicContact CD1-CE2 3.84Å; F620-F693 AromaticContact CD1-CZ 3.8Å; F620-F693 HydrophobicContact CD1-CZ 3.8Å; F620-F693 HydrophobicContact CE1-CZ 4.35Å; L635-F693 HydrophobicContact CD1-CE2 3.68Å; L635-F693 HydrophobicContact CD1-CZ 3.89Å; V671-F693 HydrophobicContact CG1-CZ 4.31Å; V673-F693 HydrophobicContact CG2-CD1 4.11Å; V673-F693 HydrophobicContact CG2-CD2 3.57Å; V673-F693 HydrophobicContact CG2-CE1 4.18Å; V673-F693 HydrophobicContact CG2-CE2 3.64Å; V673-F693 HydrophobicContact CG2-CG 3.83Å; V673-F693 HydrophobicContact CG2-CZ 3.95Å |
| 694 | S | 98.3 | Very high | 94.1 | Very high | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 151.9 | -176.4 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | F575 T576 F620 A621 | F575-S694 VanDerWaalsContact O-CA 3.3Å; F575-S694 WeakPolarHBondContact O-CA 3.39Å; T576-S694 WeakPolarHBondContact CB-OG 3.38Å; T576-S694 WeakPolarHBondContact CG2-OG 3.48Å; T576-S694 WeakPolarHBondContact OG1-CB 3.34Å; T576-S694 PolarHBondContact OG1-OG 3.48Å; F620-S694 WeakPolarHBondContact CA-O 3.18Å; A621-S694 PolarHBondContact N-O 2.79Å; A621-S694 PolarHBondContact O-N 3.29Å; A621-S694 VanDerWaalsContact O-O 3.09Å |
| 695 | G | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 148.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A574 F575 Y619 | A574-G695 CarbonylContact C-O 3.49Å; A574-G695 WeakPolarHBondContact CA-O 3.2Å; F575-G695 WeakPolarHBondContact CD1-O 3.28Å; F575-G695 PolarHBondContact N-O 3.4Å; F575-G695 PolarHBondContact O-N 3.36Å; F575-G695 VanDerWaalsContact O-N 3.09Å; Y619-G695 CarbonylContact O-C 3.49Å; Y619-G695 WeakPolarHBondContact O-CA 3.49Å |
| 696 | F | 96.3 | Very high | 93.7 | Very high | 87 Ų | 87 | 63.3 Ų | 63.3 | 38% | 0.382 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 150.8 | 179.3 | 60.8 | -89.4 | 0 | 0 | 0 | 112.4 | P573 A574 Y618 Y619 L698 | P573-F696 WeakPolarHBondContact O-CA 3.46Å; A574-F696 HydrophobicContact CB-CB 3.51Å; Y618-F696 CarbonylContact C-O 3.48Å; Y618-F696 VanDerWaalsContact CA-O 3.3Å; Y618-F696 WeakPolarHBondContact CA-O 3.25Å; Y619-F696 HydrophobicContact CD1-CD1 4.47Å; Y619-F696 AromaticContact CD1-CE1 3.63Å; Y619-F696 HydrophobicContact CD1-CE1 3.63Å; Y619-F696 AromaticContact CD1-CZ 3.86Å; Y619-F696 HydrophobicContact CD1-CZ 3.86Å; Y619-F696 HydrophobicContact CE1-CE1 4.5Å; Y619-F696 HydrophobicContact CG-CE1 4.46Å; Y619-F696 HydrophobicContact CG-CZ 4.44Å; Y619-F696 PolarHBondContact N-O 2.91Å; Y619-F696 PolarHBondContact O-N 3.45Å; F696-L698 HydrophobicContact CD2-CD2 4.24Å; F696-L698 HydrophobicContact CE2-CD2 3.55Å; F696-L698 HydrophobicContact CE2-CG 4.33Å; F696-L698 HydrophobicContact CZ-CD2 4.33Å; F696-L698 PolarHBondContact O-N 3.41Å |
| 697 | L | 95.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 123.4 | 173.2 | -178.7 | 67.7 | 0 | 0 | 0 | 110.2 | P573 Y618 P700 | P573-L697 HydrophobicContact CG-CD2 4.46Å; P573-L697 PolarHBondContact O-N 3.42Å; Y618-L697 HydrophobicContact CD1-CB 4.17Å; Y618-L697 HydrophobicContact CD2-CD1 4Å; Y618-L697 HydrophobicContact CE1-CB 3.78Å; Y618-L697 HydrophobicContact CE1-CD1 4.21Å; Y618-L697 HydrophobicContact CE2-CD1 3.58Å; Y618-L697 HydrophobicContact CG-CD1 4.48Å; L697-P700 HydrophobicContact CD2-CB 4.23Å |
| 698 | L | 93.2 | Very high | 94 | Very high | 95 Ų | 95 | 62.4 Ų | 62.4 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -45.3 | 169.7 | -70.8 | 172.1 | 0 | 0 | 0 | 111.5 | V617 V662 F696 | V617-L698 HydrophobicContact CG1-CD1 4.25Å; V617-L698 WeakPolarHBondContact O-CA 3.26Å; V617-L698 WeakPolarHBondContact O-CB 3.28Å; V617-L698 PolarHBondContact O-N 2.84Å; V662-L698 HydrophobicContact CG1-CD1 4.22Å; V662-L698 HydrophobicContact CG2-CD1 4.28Å; F696-L698 HydrophobicContact CD2-CD2 4.24Å; F696-L698 HydrophobicContact CE2-CD2 3.55Å; F696-L698 HydrophobicContact CE2-CG 4.33Å; F696-L698 HydrophobicContact CZ-CD2 4.33Å; F696-L698 PolarHBondContact O-N 3.41Å |
| 699 | C | 91.3 | Very high | 94.3 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 47% | 0.466 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 119.7 | -174.2 | -174.6 | 0 | 0 | 0 | 0 | 110 | G616 V617 | G616-C699 CarbonylContact C-O 3.51Å; G616-C699 WeakPolarHBondContact CA-O 3.38Å; V617-C699 HydrophobicContact CB-CB 4.42Å; V617-C699 PolarHBondContact N-O 3Å; V617-C699 PolarHBondContact O-N 2.94Å |
| 700 | P | 89.9 | Confident | 94.4 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 152.1 | 172.2 | 29.1 | -33.4 | 0 | 0 | 0 | 111.3 | L697 | L697-P700 HydrophobicContact CD2-CB 4.23Å |
| 701 | T | 81.8 | Confident | 94.4 | Very high | 134 Ų | 134 | 49.4 Ų | 49.4 | 82% | 0.822 | 29% | 0.29 | S | S | * | . | trans | -136.3 | 0 | 179.1 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | G615 G616 | G615-T701 PolarHBondContact O-N 2.89Å; G616-T701 WeakPolarHBondContact CA-OG1 3.48Å; G616-T701 PolarHBondContact N-OG1 2.82Å |
Retrieved 701 of 701 residues in 176.4 ms
(Link to these results)