| 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 | 42.2 | Very low | 38.4 | Very low | 257 Ų | 257 | 143.1 Ų | 143.1 | 100% | 1.266 | 86% | 0.856 | S | S | * | * | 0 | 121.8 | 0 | -76.9 | 170.4 | 167.7 | 0 | 0 | 108 | |||||
| 2 | G | 44.2 | Very low | 38.2 | Very low | 82 Ų | 82 | 145.8 Ų | 145.8 | 85% | 0.845 | 85% | 0.852 | S | S | * | * | trans | 94.2 | 66.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 3 | N | 35.2 | Very low | 37.9 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | trans | -73.9 | 143.6 | 152.4 | -81.3 | -20.6 | 0 | 0 | 0 | 109.5 | ||||
| 4 | V | 46.4 | Very low | 37.6 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 93% | 0.933 | 84% | 0.839 | S | S | * | * | trans | -139.4 | 127.7 | 149.2 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | C | 35.2 | Very low | 37.2 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 66% | 0.655 | 83% | 0.833 | S | S | * | * | trans | -112.2 | 165.9 | -175.2 | 180 | 0 | 0 | 0 | 0 | 111 | ||||
| 6 | C | 35.1 | Very low | 36.9 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 72% | 0.723 | 83% | 0.828 | S | S | * | * | trans | 78.7 | 148.3 | 142.8 | -54.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 7 | S | 40.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | cis | -167.5 | 146.7 | 18.9 | -14.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 8 | G | 31.8 | Very low | 36.3 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | 88.3 | 107.7 | 74.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 9 | F | 40.8 | Very low | 36.1 | Very low | 221 Ų | 221 | 148.1 Ų | 148.1 | 97% | 0.969 | 82% | 0.82 | S | S | * | * | trans | -134.4 | 121.6 | 159.5 | -108.3 | -86.5 | 0 | 0 | 0 | 110.3 | ||||
| 10 | K | 32.7 | Very low | 35.6 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -102.2 | 149.1 | 172.7 | -86.2 | 178.2 | 170.7 | 178.1 | 0 | 109.4 | ||||
| 11 | S | 38.2 | Very low | 35.4 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -176.9 | 107.5 | 144.5 | -177 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 12 | H | 35.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | 59.2 | 133.5 | 104.7 | -77.2 | -75.6 | 0 | 0 | 0 | 114.2 | |||||
| 13 | S | 34.8 | Very low | 34.2 | Very low | 85 Ų | 85 | 145.6 Ų | 145.6 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | cis | -176 | 149.4 | 29.7 | -151.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 14 | R | 33.1 | Very low | 33.8 | Very low | 245 Ų | 245 | 144.5 Ų | 144.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | 69.9 | 126.5 | 143.8 | -73.8 | 165.2 | -177.2 | -167 | 0 | 122 | ||||
| 15 | G | 32.4 | Very low | 33.1 | Very low | 73 Ų | 73 | 145.8 Ų | 145.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 152 | 69.8 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 16 | S | 31.3 | Very low | 32.7 | Very low | 108 Ų | 108 | 152 Ų | 152 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 50 | 128 | 138.6 | -80.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 17 | K | 34.9 | Very low | 32.6 | Very low | 187 Ų | 187 | 155.4 Ų | 155.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 76.5 | 146.5 | 141.4 | -66.5 | 176.8 | -179.6 | -175.4 | 0 | 118.4 | ||||
| 18 | E | 29.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 155.7 Ų | 155.7 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | cis | -178.7 | 148.9 | -15.9 | -170 | 179.5 | 172.3 | 0 | 0 | 104.1 | ||||
| 19 | R | 31.8 | Very low | 32.1 | Very low | 218 Ų | 218 | 161.5 Ų | 161.5 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | 115.4 | 91.8 | 156.3 | -60.5 | 177.6 | -178.5 | -163.8 | -1.7 | 118.1 | ||||
| 20 | E | 26.2 | Very low | 31.9 | Very low | 177 Ų | 177 | 156.9 Ų | 156.9 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -53.5 | 137.6 | 140.8 | -86.2 | 170 | 118.6 | 0 | 0 | 111.5 | ||||
| 21 | C | 32.1 | Very low | 31.9 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -128.7 | 100.3 | 155.2 | -99.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 22 | V | 28.6 | Very low | 31.7 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | trans | -64.3 | 128.2 | 161.5 | 173.2 | 0 | 0 | 0 | 0 | 108.7 | N24 | V22-N24 HydrophobicContact CG1-CB 4.3Š| ||
| 23 | L | 32.8 | Very low | 31.7 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -131.3 | 79.6 | 159 | -140.6 | 99.2 | 0 | 0 | 0 | 110.4 | ||||
| 24 | N | 26.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -91.3 | 109.3 | 163.1 | -154.2 | 3.1 | 0 | 0 | 0 | 106.6 | V22 | V22-N24 HydrophobicContact CG1-CB 4.3Š| ||
| 25 | R | 31.7 | Very low | 31.2 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -128.3 | 97.9 | 172.6 | -124.4 | -176.5 | -155.2 | -163.2 | 9.9 | 110.5 | Y27 | R25-Y27 HydrophobicContact CB-CE2 4.47Å; R25-Y27 HydrophobicContact CG-CE2 4.3Å; R25-Y27 PolarHBondContact NH1-OH 3.15Å | ||
| 26 | R | 26.6 | Very low | 31.2 | Very low | 228 Ų | 228 | 154.9 Ų | 154.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -66.5 | 137.5 | 159 | -70.4 | 178 | -177.6 | 175.1 | -0.1 | 109.1 | ||||
| 27 | Y | 33.7 | Very low | 31 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | -120.2 | 142.7 | 157.9 | -79.3 | -81.3 | 0 | 0 | 0 | 109.6 | R25 | R25-Y27 HydrophobicContact CB-CE2 4.47Å; R25-Y27 HydrophobicContact CG-CE2 4.3Å; R25-Y27 PolarHBondContact NH1-OH 3.15Å | ||
| 28 | P | 32.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 152 Ų | 152 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -90.3 | 164.4 | -164.8 | 36.5 | -35.8 | 0 | 0 | 0 | 114.7 | ||||
| 29 | H | 29.5 | Very low | 31 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -40.4 | 142.2 | 175.1 | -85.1 | -74.9 | 0 | 0 | 0 | 118.1 | ||||
| 30 | S | 35.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | -162.8 | 144.3 | 124.5 | 60 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 31 | G | 33 | Very low | 31.4 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 115.1 | 69.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 32 | H | 34.8 | Very low | 31.7 | Very low | 179 Ų | 179 | 141 Ų | 141 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | 42.1 | 110.1 | 129.6 | -94.9 | -74.7 | 0 | 0 | 0 | 121.5 | |||||
| 33 | K | 34.4 | Very low | 31.9 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | 160.7 | 117.3 | 108.4 | -86.9 | 169.8 | -173.4 | -177.1 | 0 | 110.2 | |||||
| 34 | G | 28.2 | Very low | 32 | Very low | 74 Ų | 74 | 147.9 Ų | 147.9 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -80.3 | 153.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 35 | F | 30.5 | Very low | 32.4 | Very low | 204 Ų | 204 | 148.6 Ų | 148.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -130.8 | 116.3 | 160.3 | -98.1 | -88.1 | 0 | 0 | 0 | 108.6 | ||||
| 36 | T | 31.3 | Very low | 32.7 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -93.6 | 126.6 | 166.5 | 47.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 37 | C | 28.8 | Very low | 33.2 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -98.1 | 107.2 | 168.8 | -68.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 38 | S | 32.8 | Very low | 33.4 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -86.7 | 126.1 | 168.5 | -40.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 39 | A | 31.2 | Very low | 34 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -74 | 124 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | S | 34.5 | Very low | 34.5 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -141.9 | 124.2 | 159.6 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 41 | S | 31.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -58.1 | 130.3 | 176.7 | 50 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 42 | S | 38 | Very low | 36 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -154 | 148.4 | 151.1 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 43 | L | 32.9 | Very low | 36.9 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -45.9 | 134.5 | -172.3 | -78.9 | 69.4 | 0 | 0 | 0 | 114.1 | N45 | L43-N45 PolarHBondContact O-N 2.97Å; L43-N45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | W | 33.8 | Very low | 38.2 | Very low | 256 Ų | 256 | 132 Ų | 132 | 97% | 0.97 | 80% | 0.802 | S | S | * | * | trans | -84.4 | 92 | 169.4 | -73.2 | 47.8 | 0 | 0 | 0 | 108.6 | ||||
| 45 | N | 35.6 | Very low | 40.1 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -67.9 | 140.7 | 163.8 | -117.1 | -12.7 | 0 | 0 | 0 | 109.4 | L43 | L43-N45 PolarHBondContact O-N 2.97Å; L43-N45 VanDerWaalsContact O-N 3.15Å | ||
| 46 | K | 37.6 | Very low | 42.3 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -71.6 | 142 | 176.9 | -162.3 | 169.3 | 174.9 | 176 | 0 | 109 | ||
| 47 | D | 37.3 | Very low | 44 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 82.1 | 89 | 172.7 | -48.8 | -33.6 | 0 | 0 | 0 | 117.9 | ||||
| 48 | S | 39.1 | Very low | 45.9 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -171.3 | 116.1 | 144.1 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 49 | V | 44.5 | Very low | 47.6 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 53.9 | 99.9 | 149 | -163.9 | 0 | 0 | 0 | 0 | 117.6 | V51 | V49-V51 HydrophobicContact CG1-CG2 3.81Å; V49-V51 PolarHBondContact O-N 3.29Å | ||
| 50 | S | 40.3 | Very low | 49.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -73.3 | 89.8 | 166.8 | -157 | 0 | 0 | 0 | 0 | 109.9 | S52 | S50-S52 VanDerWaalsContact C-N 3.34Å; S50-S52 PolarHBondContact O-N 2.86Å | ||
| 51 | V | 46.4 | Very low | 50.7 | Low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | -74.7 | 87.6 | 171 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | V49 | V49-V51 HydrophobicContact CG1-CG2 3.81Å; V49-V51 PolarHBondContact O-N 3.29Å | ||
| 52 | S | 51.9 | Low | 52 | Low | 72 Ų | 72 | 137.3 Ų | 137.3 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | trans | -160 | 105.8 | 152.1 | 178.2 | 0 | 0 | 0 | 0 | 105.6 | S50 L54 | S50-S52 VanDerWaalsContact C-N 3.34Å; S50-S52 PolarHBondContact O-N 2.86Å; S52-L54 PolarHBondContact O-N 3.2Å | ||
| 53 | G | 54.6 | Low | 53 | Low | 93 Ų | 93 | 139.7 Ų | 139.7 | 96% | 0.959 | 73% | 0.725 | S | S | * | * | trans | -66.9 | 26.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q55 | G53-Q55 PolarHBondContact O-N 2.83Š| ||
| 54 | L | 61.2 | Low | 54.2 | Low | 133 Ų | 133 | 136.2 Ų | 136.2 | 70% | 0.696 | 71% | 0.708 | S | S | * | * | trans | -78.1 | 99.6 | 168 | -71.9 | 172.4 | 0 | 0 | 0 | 107.8 | S52 H56 | S52-L54 PolarHBondContact O-N 3.2Å; L54-H56 PolarHBondContact O-N 3.05Å | ||
| 55 | Q | 68.5 | Low | 55.3 | Low | 103 Ų | 103 | 129 Ų | 129 | 48% | 0.481 | 69% | 0.692 | S | S | . | * | trans | -42.6 | 132.7 | 169.7 | -167.9 | 167.7 | 18.3 | 0 | 0 | 110 | G53 E59 R60 | G53-Q55 PolarHBondContact O-N 2.83Å; Q55-E59 HydrophobicContact CG-CB 3.58Å; Q55-E59 PolarHBondContact NE2-O 3.08Å; Q55-R60 HydrophobicContact CB-CG 4.3Å; Q55-R60 HydrophobicContact CG-CG 3.98Å; Q55-R60 PolarHBondContact O-NH1 3Å; Q55-R60 PolarHBondContact O-NH2 3.01Å | ||
| 56 | H | 76.5 | Confident | 56.4 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 56% | 0.56 | 70% | 0.695 | S | S | * | * | trans | -65.4 | 147.6 | 177.5 | -173.5 | -97.3 | 0 | 0 | 0 | 108.8 | L54 R58 E59 R60 | L54-H56 PolarHBondContact O-N 3.05Å; H56-R58 VanDerWaalsContact ND1-CB 3.29Å; H56-R58 WeakPolarHBondContact ND1-CB 3.27Å; H56-R58 PolarHBondContact ND1-N 3.43Å; H56-R58 PolarHBondContact O-N 2.8Å; H56-E59 HydrophobicContact CB-CG 4.03Å; H56-E59 PolarHBondContact N-OE2 2.88Å; H56-E59 WeakPolarHBondContact O-CA 3.39Å; H56-E59 WeakPolarHBondContact O-CB 3.45Å; H56-E59 PolarHBondContact O-N 2.78Å; H56-R60 PolarHBondContact O-N 2.99Å | ||
| 57 | I | 66.4 | Low | 57.6 | Low | 131 Ų | 131 | 129.6 Ų | 129.6 | 67% | 0.672 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -56.7 | -37.4 | -176.6 | -68.4 | 169.2 | 0 | 0 | 0 | 111.4 | E59 R60 | I57-E59 PolarHBondContact O-N 3.06Å; I57-R60 PolarHBondContact O-N 3.26Å; I57-R60 VanDerWaalsContact O-N 3.12Å |
| 58 | R | 69.4 | Low | 58.8 | Low | 201 Ų | 201 | 125.7 Ų | 125.7 | 76% | 0.758 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -60.8 | -23.3 | 174 | -164.3 | -178.7 | -177.9 | 176.3 | 1.6 | 114.1 | H56 | H56-R58 VanDerWaalsContact ND1-CB 3.29Å; H56-R58 WeakPolarHBondContact ND1-CB 3.27Å; H56-R58 PolarHBondContact ND1-N 3.43Å; H56-R58 PolarHBondContact O-N 2.8Å |
| 59 | E | 68.1 | Low | 59.9 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 58% | 0.584 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -93.5 | -7.7 | -179.5 | -63 | 166 | -178 | 0 | 0 | 112.3 | Q55 H56 I57 | Q55-E59 HydrophobicContact CG-CB 3.58Å; Q55-E59 PolarHBondContact NE2-O 3.08Å; H56-E59 HydrophobicContact CB-CG 4.03Å; H56-E59 PolarHBondContact N-OE2 2.88Å; H56-E59 WeakPolarHBondContact O-CA 3.39Å; H56-E59 WeakPolarHBondContact O-CB 3.45Å; H56-E59 PolarHBondContact O-N 2.78Å; I57-E59 PolarHBondContact O-N 3.06Å |
| 60 | R | 66.5 | Low | 61 | Low | 130 Ų | 130 | 122 Ų | 122 | 49% | 0.491 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -85.8 | -10.1 | 175.8 | -70.5 | -171.4 | -177.4 | 76.5 | 8.8 | 113.3 | Q55 H56 I57 H62 | Q55-R60 HydrophobicContact CB-CG 4.3Å; Q55-R60 HydrophobicContact CG-CG 3.98Å; Q55-R60 PolarHBondContact O-NH1 3Å; Q55-R60 PolarHBondContact O-NH2 3.01Å; H56-R60 PolarHBondContact O-N 2.99Å; I57-R60 PolarHBondContact O-N 3.26Å; I57-R60 VanDerWaalsContact O-N 3.12Å; R60-H62 PolarHBondContact O-N 2.86Å |
| 61 | E | 63.9 | Low | 62.3 | Low | 132 Ų | 132 | 119.6 Ų | 119.6 | 62% | 0.617 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -71.1 | 125.4 | 178.8 | -69.9 | 176.8 | 173.9 | 0 | 0 | 108.8 | ||
| 62 | H | 59.4 | Low | 63.2 | Low | 150 Ų | 150 | 116.2 Ų | 116.2 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | trans | -68.3 | 137.6 | 174.7 | -156.8 | -82.8 | 0 | 0 | 0 | 108.1 | R60 D64 | R60-H62 PolarHBondContact O-N 2.86Å; H62-D64 IonicContact CE1-OD1 3.03Å; H62-D64 IonicContact CE1-OD2 3.55Å; H62-D64 PolarHBondContact CE1-OD2 3.22Å; H62-D64 IonicContact CG-OD2 2.7Å; H62-D64 IonicContact ND1-OD1 3.84Å; H62-D64 IonicContact ND1-OD2 3.48Å; H62-D64 PolarHBondContact ND1-OD2 2.6Å; H62-D64 PolarHBondContact O-N 3.25Å | ||
| 63 | D | 59.3 | Low | 63.9 | Low | 151 Ų | 151 | 119.3 Ų | 119.3 | 81% | 0.807 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -64.3 | 13.6 | 177.1 | -74.3 | -49.9 | 0 | 0 | 0 | 113.9 | V65 | D63-V65 VanDerWaalsContact O-CG2 3.27Å; D63-V65 WeakPolarHBondContact O-CG2 3.3Å; D63-V65 PolarHBondContact O-N 2.93Å |
| 64 | D | 57.1 | Low | 64.9 | Low | 91 Ų | 91 | 126.3 Ų | 126.3 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | trans | -78.7 | 68.7 | 173.2 | -72.1 | -25.6 | 0 | 0 | 0 | 110.1 | H62 E66 Q67 | H62-D64 IonicContact CE1-OD1 3.03Å; H62-D64 IonicContact CE1-OD2 3.55Å; H62-D64 PolarHBondContact CE1-OD2 3.22Å; H62-D64 IonicContact CG-OD2 2.7Å; H62-D64 IonicContact ND1-OD1 3.84Å; H62-D64 IonicContact ND1-OD2 3.48Å; H62-D64 PolarHBondContact ND1-OD2 2.6Å; H62-D64 PolarHBondContact O-N 3.25Å; D64-E66 PolarHBondContact O-N 3.13Å; D64-Q67 PolarHBondContact O-N 3.17Å | ||
| 65 | V | 56.9 | Low | 65.1 | Low | 104 Ų | 104 | 125.2 Ų | 125.2 | 63% | 0.63 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -15 | -179.9 | -154.1 | 0 | 0 | 0 | 0 | 112.4 | D63 T71 | D63-V65 VanDerWaalsContact O-CG2 3.27Å; D63-V65 WeakPolarHBondContact O-CG2 3.3Å; D63-V65 PolarHBondContact O-N 2.93Å; V65-T71 PolarHBondContact O-OG1 2.82Å |
| 66 | E | 59.9 | Low | 65 | Low | 192 Ų | 192 | 122.9 Ų | 122.9 | 90% | 0.897 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -15.9 | -174 | -145.9 | 167 | -164.4 | 0 | 0 | 114.2 | D64 | D64-E66 PolarHBondContact O-N 3.13Š|
| 67 | Q | 62.1 | Low | 64.3 | Low | 158 Ų | 158 | 119.8 Ų | 119.8 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -18.7 | 179.4 | -86.2 | -176.7 | 19.9 | 0 | 0 | 115.1 | D64 P69 | D64-Q67 PolarHBondContact O-N 3.17Å; Q67-P69 WeakPolarHBondContact O-CD 3.42Å |
| 68 | D | 62.5 | Low | 64.1 | Low | 62 Ų | 62 | 121 Ų | 121 | 33% | 0.332 | 61% | 0.613 | S | S | . | * | trans | -72.6 | 114 | -177.1 | -172.2 | 0.1 | 0 | 0 | 0 | 111.7 | S70 T71 | D68-S70 PolarHBondContact O-N 3.38Å; D68-S70 VanDerWaalsContact O-N 3.13Å; D68-S70 WeakPolarHBondContact OD1-CB 3.29Å; D68-S70 PolarHBondContact OD1-N 3.12Å; D68-S70 PolarHBondContact OD1-OG 3.39Å; D68-S70 PolarHBondContact OD2-OG 3.37Å; D68-T71 HydrophobicContact CB-CG2 4.17Å; D68-T71 PolarHBondContact O-N 2.69Å; D68-T71 PolarHBondContact O-OG1 2.89Å | ||
| 69 | P | 63.3 | Low | 63.7 | Low | 63 Ų | 63 | 118.5 Ų | 118.5 | 41% | 0.409 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -16.5 | 173.4 | 27.3 | -34.6 | 0 | 0 | 0 | 113.4 | Q67 K75 | Q67-P69 WeakPolarHBondContact O-CD 3.42Å; P69-K75 HydrophobicContact CB-CB 4.41Å; P69-K75 HydrophobicContact CB-CD 3.86Å |
| 70 | S | 66.6 | Low | 63.2 | Low | 93 Ų | 93 | 118 Ų | 118 | 65% | 0.65 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -23.1 | 177.8 | 96.6 | 0 | 0 | 0 | 0 | 113.9 | D68 | D68-S70 PolarHBondContact O-N 3.38Å; D68-S70 VanDerWaalsContact O-N 3.13Å; D68-S70 WeakPolarHBondContact OD1-CB 3.29Å; D68-S70 PolarHBondContact OD1-N 3.12Å; D68-S70 PolarHBondContact OD1-OG 3.39Å; D68-S70 PolarHBondContact OD2-OG 3.37Å |
| 71 | T | 67.8 | Low | 62.7 | Low | 73 Ų | 73 | 120.4 Ų | 120.4 | 45% | 0.448 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -10.6 | 179.1 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | V65 D68 P73 | V65-T71 PolarHBondContact O-OG1 2.82Å; D68-T71 HydrophobicContact CB-CG2 4.17Å; D68-T71 PolarHBondContact O-N 2.69Å; D68-T71 PolarHBondContact O-OG1 2.89Å; T71-P73 VanDerWaalsContact O-CD 3.3Å; T71-P73 WeakPolarHBondContact O-CD 3.21Å |
| 72 | N | 66.3 | Low | 62.2 | Low | 63 Ų | 63 | 125 Ų | 125 | 34% | 0.337 | 64% | 0.635 | S | S | . | * | trans | -96.2 | 106.8 | 179.7 | -172.1 | -26.6 | 0 | 0 | 0 | 110.8 | R74 K75 | N72-R74 PolarHBondContact O-N 2.79Å; N72-R74 WeakPolarHBondContact OD1-CB 3.18Å; N72-R74 PolarHBondContact OD1-N 3.36Å; N72-K75 HydrophobicContact CB-CB 4.03Å; N72-K75 HydrophobicContact CB-CD 4.01Å; N72-K75 HydrophobicContact CB-CG 3.87Å; N72-K75 PolarHBondContact O-N 3.21Å | ||
| 73 | P | 66.3 | Low | 62.1 | Low | 136 Ų | 136 | 119.5 Ų | 119.5 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -13.5 | -177.5 | 25.4 | -34.1 | 0 | 0 | 0 | 114.1 | T71 | T71-P73 VanDerWaalsContact O-CD 3.3Å; T71-P73 WeakPolarHBondContact O-CD 3.21Å |
| 74 | R | 74.9 | Confident | 61.7 | Low | 240 Ų | 240 | 119.4 Ų | 119.4 | 91% | 0.906 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -15.3 | 171.9 | -71.7 | -176.1 | 170.1 | -150.6 | -1.3 | 113.4 | N72 G76 | N72-R74 PolarHBondContact O-N 2.79Å; N72-R74 WeakPolarHBondContact OD1-CB 3.18Å; N72-R74 PolarHBondContact OD1-N 3.36Å; R74-G76 PolarHBondContact O-N 2.79Å |
| 75 | K | 65.5 | Low | 61.6 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 48% | 0.483 | 62% | 0.619 | S | S | . | * | trans | -86 | 103.8 | 176.7 | -73.3 | -170.7 | 175.8 | -179.1 | 0 | 108.8 | P69 N72 | P69-K75 HydrophobicContact CB-CB 4.41Å; P69-K75 HydrophobicContact CB-CD 3.86Å; N72-K75 HydrophobicContact CB-CB 4.03Å; N72-K75 HydrophobicContact CB-CD 4.01Å; N72-K75 HydrophobicContact CB-CG 3.87Å; N72-K75 PolarHBondContact O-N 3.21Å | ||
| 76 | G | 66.1 | Low | 61.5 | Low | 54 Ų | 54 | 119.8 Ų | 119.8 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | trans | -65.2 | 156.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R74 I78 | R74-G76 PolarHBondContact O-N 2.79Å; G76-I78 PolarHBondContact O-N 3.14Å | ||
| 77 | P | 61.2 | Low | 61.1 | Low | 55 Ų | 55 | 116.2 Ų | 116.2 | 36% | 0.357 | 60% | 0.596 | S | S | . | * | trans | -61.3 | 135.4 | 175.5 | 22 | -31.5 | 0 | 0 | 0 | 112.1 | F79 M80 | P77-F79 HydrophobicContact CB-CD1 3.45Å; P77-F79 VanDerWaalsContact CB-CD1 3.45Å; P77-F79 HydrophobicContact CB-CD2 4.39Å; P77-F79 HydrophobicContact CB-CE1 3.13Å; P77-F79 HydrophobicContact CB-CE2 4.13Å; P77-F79 HydrophobicContact CB-CG 4.08Å; P77-F79 HydrophobicContact CB-CZ 3.5Å; P77-F79 VanDerWaalsContact CB-CZ 3.5Å; P77-F79 HydrophobicContact CG-CD1 4.44Å; P77-F79 HydrophobicContact CG-CE1 3.9Å; P77-F79 HydrophobicContact CG-CE2 4.13Å; P77-F79 HydrophobicContact CG-CZ 3.7Å; P77-F79 PolarHBondContact O-N 3.08Å; P77-F79 VanDerWaalsContact O-N 3.08Å; P77-M80 HydrophobicContact CG-CB 4.43Å; P77-M80 HydrophobicContact CG-CE 3.5Å; P77-M80 HydrophobicContact CG-CG 4.32Å; P77-M80 PolarHBondContact O-N 3.48Å; P77-M80 VanDerWaalsContact O-N 3.14Å | ||
| 78 | I | 63.1 | Low | 60.7 | Low | 157 Ų | 157 | 117.6 Ų | 117.6 | 81% | 0.805 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -24.2 | 178.6 | -53.7 | 168 | 0 | 0 | 0 | 111.6 | G76 M80 | G76-I78 PolarHBondContact O-N 3.14Å; I78-M80 VanDerWaalsContact C-N 3.32Å; I78-M80 PolarHBondContact O-N 2.87Å |
| 79 | F | 61.6 | Low | 60.5 | Low | 148 Ų | 148 | 120.7 Ų | 120.7 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -12.2 | -178.3 | 66.5 | -103.8 | 0 | 0 | 0 | 114.4 | P77 E81 S83 | P77-F79 HydrophobicContact CB-CD1 3.45Å; P77-F79 VanDerWaalsContact CB-CD1 3.45Å; P77-F79 HydrophobicContact CB-CD2 4.39Å; P77-F79 HydrophobicContact CB-CE1 3.13Å; P77-F79 HydrophobicContact CB-CE2 4.13Å; P77-F79 HydrophobicContact CB-CG 4.08Å; P77-F79 HydrophobicContact CB-CZ 3.5Å; P77-F79 VanDerWaalsContact CB-CZ 3.5Å; P77-F79 HydrophobicContact CG-CD1 4.44Å; P77-F79 HydrophobicContact CG-CE1 3.9Å; P77-F79 HydrophobicContact CG-CE2 4.13Å; P77-F79 HydrophobicContact CG-CZ 3.7Å; P77-F79 PolarHBondContact O-N 3.08Å; P77-F79 VanDerWaalsContact O-N 3.08Å; F79-E81 PolarHBondContact O-N 3.43Å; F79-S83 PolarHBondContact O-OG 3.06Å |
| 80 | M | 56.1 | Low | 59.9 | Low | 115 Ų | 115 | 125.4 Ų | 125.4 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -33.4 | -175.1 | -113.9 | -162.8 | -82.1 | 0 | 0 | 112.8 | P77 I78 R82 S83 | P77-M80 HydrophobicContact CG-CB 4.43Å; P77-M80 HydrophobicContact CG-CE 3.5Å; P77-M80 HydrophobicContact CG-CG 4.32Å; P77-M80 PolarHBondContact O-N 3.48Å; P77-M80 VanDerWaalsContact O-N 3.14Å; I78-M80 VanDerWaalsContact C-N 3.32Å; I78-M80 PolarHBondContact O-N 2.87Å; M80-R82 PolarHBondContact O-N 2.84Å; M80-S83 WeakPolarHBondContact O-CB 3.41Å; M80-S83 PolarHBondContact O-N 3.3Å; M80-S83 VanDerWaalsContact O-N 3.12Å |
| 81 | E | 57.2 | Low | 59.1 | Low | 181 Ų | 181 | 130.1 Ų | 130.1 | 85% | 0.846 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -25.6 | -172.1 | -159 | 170 | -165.6 | 0 | 0 | 114 | F79 | F79-E81 PolarHBondContact O-N 3.43Š|
| 82 | R | 53.9 | Low | 58.3 | Low | 227 Ų | 227 | 134.3 Ų | 134.3 | 86% | 0.857 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -11.6 | 171.2 | -94.2 | -169.8 | 176.9 | 114.7 | -0.6 | 114 | M80 E84 | M80-R82 PolarHBondContact O-N 2.84Å; R82-E84 PolarHBondContact O-N 3.43Å |
| 83 | S | 55.7 | Low | 57.8 | Low | 35 Ų | 35 | 140 Ų | 140 | 25% | 0.245 | 67% | 0.673 | C | S | . | * | H | α-helix | trans | -81.3 | -14.3 | -169.8 | -62.3 | 0 | 0 | 0 | 0 | 114 | F79 M80 S85 E86 M87 | F79-S83 PolarHBondContact O-OG 3.06Å; M80-S83 WeakPolarHBondContact O-CB 3.41Å; M80-S83 PolarHBondContact O-N 3.3Å; M80-S83 VanDerWaalsContact O-N 3.12Å; S83-S85 PolarHBondContact O-N 3.12Å; S83-E86 PolarHBondContact O-N 3.4Å; S83-M87 WeakPolarHBondContact O-CB 3.47Å; S83-M87 PolarHBondContact O-N 3.22Å |
| 84 | E | 51.5 | Low | 56.8 | Low | 149 Ų | 149 | 143.5 Ų | 143.5 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70 | -31.7 | -174.6 | -64.1 | -163.2 | 159 | 0 | 0 | 113.5 | R82 M87 | R82-E84 PolarHBondContact O-N 3.43Å; E84-M87 WeakPolarHBondContact O-CG 3.29Å |
| 85 | S | 55.4 | Low | 55.6 | Low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.3 | -30.1 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | S83 | S83-S85 PolarHBondContact O-N 3.12Å |
| 86 | E | 54.2 | Low | 54.6 | Low | 104 Ų | 104 | 134.3 Ų | 134.3 | 49% | 0.486 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -82.2 | -21.6 | 178.2 | -150.3 | 179.2 | 150.2 | 0 | 0 | 112.5 | S83 K88 L89 R93 | S83-E86 PolarHBondContact O-N 3.4Å; E86-K88 PolarHBondContact O-N 3.02Å; E86-L89 PolarHBondContact O-N 2.76Å; E86-R93 IonicContact OE1-NH1 3.28Å; E86-R93 PolarHBondContact OE1-NH1 2.83Å |
| 87 | M | 52.8 | Low | 53.7 | Low | 116 Ų | 116 | 137.9 Ų | 137.9 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -66.4 | -23.7 | 178.9 | 86 | 167.4 | -167.9 | 0 | 0 | 113.9 | S83 E84 L89 R90 | S83-M87 WeakPolarHBondContact O-CB 3.47Å; S83-M87 PolarHBondContact O-N 3.22Å; E84-M87 WeakPolarHBondContact O-CG 3.29Å; M87-L89 PolarHBondContact O-N 2.85Å; M87-R90 VanDerWaalsContact O-CB 3.29Å; M87-R90 WeakPolarHBondContact O-CB 3.43Å; M87-R90 PolarHBondContact O-N 2.98Å; M87-R90 VanDerWaalsContact O-N 3.1Å |
| 88 | K | 52.4 | Low | 53 | Low | 188 Ų | 188 | 144.3 Ų | 144.3 | 82% | 0.817 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -68 | -15.8 | 176.2 | -75.5 | -176.7 | 177.6 | 175.1 | 0 | 113.4 | E86 | E86-K88 PolarHBondContact O-N 3.02Š|
| 89 | L | 58 | Low | 52 | Low | 127 Ų | 127 | 143.2 Ų | 143.2 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -93 | -2.7 | 174.1 | -74.7 | 163.1 | 0 | 0 | 0 | 113.2 | E86 M87 E91 | E86-L89 PolarHBondContact O-N 2.76Å; M87-L89 PolarHBondContact O-N 2.85Å; L89-E91 PolarHBondContact O-N 3.49Å |
| 90 | R | 51.1 | Low | 51.2 | Low | 161 Ų | 161 | 142.8 Ų | 142.8 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -76.9 | -13.1 | -161.8 | -84.8 | -174.8 | 161.3 | -162.1 | -8.2 | 117.1 | M87 N92 R93 | M87-R90 VanDerWaalsContact O-CB 3.29Å; M87-R90 WeakPolarHBondContact O-CB 3.43Å; M87-R90 PolarHBondContact O-N 2.98Å; M87-R90 VanDerWaalsContact O-N 3.1Å; R90-N92 VanDerWaalsContact C-N 3.29Å; R90-N92 PolarHBondContact O-N 3.3Å; R90-R93 PolarHBondContact O-N 2.95Å |
| 91 | E | 49.2 | Very low | 50.5 | Low | 192 Ų | 192 | 139.8 Ų | 139.8 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -68.2 | -29.1 | -177.1 | -109.6 | 171.4 | 177.8 | 0 | 0 | 113.2 | L89 | L89-E91 PolarHBondContact O-N 3.49Š|
| 92 | N | 52 | Low | 49.9 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 86% | 0.861 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -92.8 | -5.3 | -179.5 | -100.8 | 2.5 | 0 | 0 | 0 | 115.5 | R90 | R90-N92 VanDerWaalsContact C-N 3.29Å; R90-N92 PolarHBondContact O-N 3.3Å |
| 93 | R | 56.2 | Low | 49.3 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -92.7 | 3.5 | -177.9 | -92 | -175.2 | 174.9 | 171.1 | -1.4 | 114.5 | E86 R90 S95 | E86-R93 IonicContact OE1-NH1 3.28Å; E86-R93 PolarHBondContact OE1-NH1 2.83Å; R90-R93 PolarHBondContact O-N 2.95Å; R93-S95 PolarHBondContact O-N 3.46Å |
| 94 | R | 45.3 | Very low | 48.6 | Very low | 210 Ų | 210 | 146.2 Ų | 146.2 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -77.1 | 104 | 168.6 | -72.9 | -173.3 | 174.7 | -165.4 | -0.5 | 109.3 | C96 | R94-C96 VanDerWaalsContact C-N 3.27Å; R94-C96 PolarHBondContact O-N 3.4Å; R94-C96 PolarHBondContact O-SG 3.3Å |
| 95 | S | 49.8 | Very low | 47.9 | Very low | 85 Ų | 85 | 151.1 Ų | 151.1 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | trans | -50.6 | 88.3 | 164.7 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | R93 | R93-S95 PolarHBondContact O-N 3.46Š| ||
| 96 | C | 44.7 | Very low | 47.1 | Very low | 74 Ų | 74 | 150.8 Ų | 150.8 | 50% | 0.5 | 72% | 0.719 | S | S | . | * | trans | -117.7 | 82.1 | 169 | -42.9 | 0 | 0 | 0 | 0 | 106.3 | R94 F98 | R94-C96 VanDerWaalsContact C-N 3.27Å; R94-C96 PolarHBondContact O-N 3.4Å; R94-C96 PolarHBondContact O-SG 3.3Å; C96-F98 VanDerWaalsContact C-N 3.33Å; C96-F98 HydrophobicContact CB-CD2 4.33Å; C96-F98 HydrophobicContact CB-CE2 4.1Å; C96-F98 PolarHBondContact O-N 2.81Å | ||
| 97 | Y | 47 | Very low | 46.5 | Very low | 129 Ų | 129 | 155.3 Ų | 155.3 | 51% | 0.506 | 74% | 0.74 | S | S | . | * | trans | -69.9 | 99.5 | 163.6 | -67.6 | -80.3 | 0 | 0 | 0 | 107.3 | V99 R115 | Y97-V99 PolarHBondContact O-N 3.01Å; Y97-R115 PolarHBondContact O-NH1 2.89Å | ||
| 98 | F | 45.8 | Very low | 45.9 | Very low | 189 Ų | 189 | 154.1 Ų | 154.1 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | -68 | 106.8 | 158.9 | -75.6 | -88.8 | 0 | 0 | 0 | 106.6 | C96 D100 | C96-F98 VanDerWaalsContact C-N 3.33Å; C96-F98 HydrophobicContact CB-CD2 4.33Å; C96-F98 HydrophobicContact CB-CE2 4.1Å; C96-F98 PolarHBondContact O-N 2.81Å; F98-D100 PolarHBondContact O-N 3.34Å | ||
| 99 | V | 43.2 | Very low | 45.3 | Very low | 134 Ų | 134 | 151 Ų | 151 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -69.2 | 111.2 | 158.9 | 178.8 | 0 | 0 | 0 | 0 | 104.7 | Y97 G101 | Y97-V99 PolarHBondContact O-N 3.01Å; V99-G101 PolarHBondContact O-N 3.44Å | ||
| 100 | D | 43.8 | Very low | 44.5 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -60.6 | 82.9 | 171.3 | -171.2 | 19.8 | 0 | 0 | 0 | 108.5 | F98 Q102 | F98-D100 PolarHBondContact O-N 3.34Å; D100-Q102 PolarHBondContact O-N 3.3Å | ||
| 101 | G | 42.4 | Very low | 44.2 | Very low | 52 Ų | 52 | 151.8 Ų | 151.8 | 54% | 0.536 | 75% | 0.75 | S | S | . | * | trans | -80.7 | 92.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | V99 L103 | V99-G101 PolarHBondContact O-N 3.44Å; G101-L103 PolarHBondContact O-N 2.77Å | ||
| 102 | Q | 43.6 | Very low | 44.2 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -51.6 | 106.8 | 169.1 | -75.4 | -139.9 | -28.1 | 0 | 0 | 108.8 | D100 R104 | D100-Q102 PolarHBondContact O-N 3.3Å; Q102-R104 VanDerWaalsContact C-N 3.28Å; Q102-R104 PolarHBondContact O-N 2.96Å | ||
| 103 | L | 42.3 | Very low | 44.2 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -59.2 | 89.6 | 173.9 | -123.3 | 87.7 | 0 | 0 | 0 | 108.1 | G101 R105 | G101-L103 PolarHBondContact O-N 2.77Å; L103-R105 PolarHBondContact O-N 3.27Å | ||
| 104 | R | 40.2 | Very low | 44.1 | Very low | 242 Ų | 242 | 147 Ų | 147 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | -70.8 | 90.5 | 152.9 | -81.9 | -151.6 | 172.9 | -146.6 | 0.8 | 107.5 | Q102 S106 | Q102-R104 VanDerWaalsContact C-N 3.28Å; Q102-R104 PolarHBondContact O-N 2.96Å; R104-S106 PolarHBondContact O-N 3.1Å | ||
| 105 | R | 37.2 | Very low | 44.9 | Very low | 251 Ų | 251 | 143.3 Ų | 143.3 | 95% | 0.947 | 74% | 0.735 | S | S | * | * | trans | -6 | 86.6 | 145.8 | -149.2 | 175.7 | -163.7 | 168.6 | 2.8 | 112.9 | L103 | L103-R105 PolarHBondContact O-N 3.27Š| ||
| 106 | S | 38.5 | Very low | 45.3 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | -147.3 | 128 | 160.7 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | R104 T108 | R104-S106 PolarHBondContact O-N 3.1Å; S106-T108 PolarHBondContact O-N 3.24Å | ||
| 107 | Q | 40.9 | Very low | 46.1 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 93% | 0.93 | 75% | 0.748 | S | S | * | * | trans | -74.2 | 85.6 | -175.9 | -63.8 | 168.3 | 18.5 | 0 | 0 | 109.1 | ||||
| 108 | T | 41.3 | Very low | 46.9 | Very low | 90 Ų | 90 | 149.6 Ų | 149.6 | 55% | 0.552 | 75% | 0.747 | S | S | * | * | trans | -142.9 | 138.3 | 159.5 | 52.3 | 0 | 0 | 0 | 0 | 108.5 | S106 T110 | S106-T108 PolarHBondContact O-N 3.24Å; T108-T110 PolarHBondContact O-N 3.17Å | ||
| 109 | P | 38.4 | Very low | 48 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -73 | 83.5 | 175.8 | 30.4 | -31.2 | 0 | 0 | 0 | 108 | F111 | P109-F111 PolarHBondContact O-N 2.95Š| ||
| 110 | T | 41.8 | Very low | 48.6 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | trans | -74 | 107.7 | 167.5 | 27.6 | 0 | 0 | 0 | 0 | 107.7 | T108 L112 | T108-T110 PolarHBondContact O-N 3.17Å; T110-L112 VanDerWaalsContact C-N 3.34Å; T110-L112 PolarHBondContact O-N 3.19Å | ||
| 111 | F | 45.1 | Very low | 49.9 | Very low | 200 Ų | 200 | 144 Ų | 144 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -49.5 | 99.8 | 163.9 | -75.5 | -96.4 | 0 | 0 | 0 | 108.4 | P109 | P109-F111 PolarHBondContact O-N 2.95Š| ||
| 112 | L | 49.1 | Very low | 51.1 | Low | 148 Ų | 148 | 145.5 Ų | 145.5 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | -66.7 | 124.5 | 170.6 | -64.2 | 179.1 | 0 | 0 | 0 | 106.7 | T110 L114 | T110-L112 VanDerWaalsContact C-N 3.34Å; T110-L112 PolarHBondContact O-N 3.19Å; L112-L114 PolarHBondContact O-N 3.47Å | ||
| 113 | P | 51.7 | Low | 52.5 | Low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -59.3 | 117.7 | 179.1 | 21.8 | -29.8 | 0 | 0 | 0 | 108.6 | R115 | P113-R115 PolarHBondContact O-N 2.92Š| ||
| 114 | L | 55 | Low | 53.7 | Low | 166 Ų | 166 | 139.6 Ų | 139.6 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | trans | -53.8 | 109.8 | 172 | -78.9 | 152.4 | 0 | 0 | 0 | 107.9 | L112 K116 | L112-L114 PolarHBondContact O-N 3.47Å; L114-K116 PolarHBondContact O-N 3.12Å | ||
| 115 | R | 61.6 | Low | 55 | Low | 131 Ų | 131 | 133.9 Ų | 133.9 | 49% | 0.494 | 70% | 0.701 | S | S | . | * | trans | -62 | 110.6 | 176.4 | -172.5 | 176.4 | -176.6 | 168.5 | 4.9 | 108.2 | Y97 P113 | Y97-R115 PolarHBondContact O-NH1 2.89Å; P113-R115 PolarHBondContact O-N 2.92Å | ||
| 116 | K | 57 | Low | 56.5 | Low | 147 Ų | 147 | 126.1 Ų | 126.1 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | trans | -76.2 | 137.8 | 176.1 | -70 | 179 | 178.5 | 179.6 | 0 | 109.6 | L114 F124 | L114-K116 PolarHBondContact O-N 3.12Å; K116-F124 HydrophobicContact CB-CD2 3.82Å; K116-F124 HydrophobicContact CB-CE2 3.55Å; K116-F124 HydrophobicContact CB-CZ 4.08Å; K116-F124 HydrophobicContact CD-CE1 4.14Å; K116-F124 HydrophobicContact CD-CE2 3.67Å; K116-F124 HydrophobicContact CD-CZ 3.38Å; K116-F124 HydrophobicContact CG-CE2 4.25Å; K116-F124 HydrophobicContact CG-CZ 4.35Å | ||
| 117 | Y | 61.4 | Low | 58 | Low | 183 Ų | 183 | 128.2 Ų | 128.2 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | trans | -87.6 | 145.3 | 177.6 | -59.1 | -84.8 | 0 | 0 | 0 | 110.2 | S119 | Y117-S119 PolarHBondContact O-N 2.92Š| ||
| 118 | N | 65.7 | Low | 59.1 | Low | 91 Ų | 91 | 121 Ų | 121 | 49% | 0.487 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -75 | 39.2 | -179.6 | -72.1 | -20.4 | 0 | 0 | 0 | 113.6 | F124 | N118-F124 PolarHBondContact ND2-O 2.91Å; N118-F124 PolarHBondContact OD1-N 2.87Å |
| 119 | S | 67 | Low | 60.6 | Low | 107 Ų | 107 | 118.3 Ų | 118.3 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | trans | -91 | 1.4 | -175.4 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | Y117 | Y117-S119 PolarHBondContact O-N 2.92Š| ||
| 120 | C | 57.4 | Low | 62.1 | Low | 105 Ų | 105 | 121 Ų | 121 | 71% | 0.709 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -134.9 | 172 | 178.6 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | T122 | C120-T122 CarbonylContact O-C 3.53Å; C120-T122 PolarHBondContact O-N 3.3Å |
| 121 | S | 70.4 | Confident | 63.7 | Low | 132 Ų | 132 | 120.6 Ų | 120.6 | 92% | 0.923 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -51.9 | -7.4 | -173 | 53.6 | 0 | 0 | 0 | 0 | 117.8 | ||
| 122 | T | 68.6 | Low | 65.2 | Low | 84 Ų | 84 | 116.8 Ų | 116.8 | 52% | 0.515 | 63% | 0.63 | S | S | . | * | trans | -103.1 | 112.9 | 171.5 | -50.9 | 0 | 0 | 0 | 0 | 109.6 | C120 F124 | C120-T122 CarbonylContact O-C 3.53Å; C120-T122 PolarHBondContact O-N 3.3Å; T122-F124 HydrophobicContact CG2-CE2 4.26Å; T122-F124 HydrophobicContact CG2-CZ 4.15Å | ||
| 123 | I | 73.1 | Confident | 66.8 | Low | 117 Ų | 117 | 111.5 Ų | 111.5 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | trans | -83.1 | 115 | 169.1 | -170.3 | 169.7 | 0 | 0 | 0 | 108.9 | L125 | I123-L125 HydrophobicContact CD1-CD2 3.92Å; I123-L125 HydrophobicContact CG1-CD2 4.03Å; I123-L125 HydrophobicContact CG2-CD2 4.41Å; I123-L125 HydrophobicContact CG2-CG 4.49Å; I123-L125 PolarHBondContact O-N 2.76Å | ||
| 124 | F | 66.8 | Low | 68.4 | Low | 96 Ų | 96 | 110 Ų | 110 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | trans | -78.4 | 107.6 | 166.3 | -65.7 | -83.9 | 0 | 0 | 0 | 107.1 | K116 N118 T122 | K116-F124 HydrophobicContact CB-CD2 3.82Å; K116-F124 HydrophobicContact CB-CE2 3.55Å; K116-F124 HydrophobicContact CB-CZ 4.08Å; K116-F124 HydrophobicContact CD-CE1 4.14Å; K116-F124 HydrophobicContact CD-CE2 3.67Å; K116-F124 HydrophobicContact CD-CZ 3.38Å; K116-F124 HydrophobicContact CG-CE2 4.25Å; K116-F124 HydrophobicContact CG-CZ 4.35Å; N118-F124 PolarHBondContact ND2-O 2.91Å; N118-F124 PolarHBondContact OD1-N 2.87Å; T122-F124 HydrophobicContact CG2-CE2 4.26Å; T122-F124 HydrophobicContact CG2-CZ 4.15Å | ||
| 125 | L | 68 | Low | 70.2 | Confident | 122 Ų | 122 | 105.4 Ų | 105.4 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | trans | -77.9 | 122.7 | 169.3 | -60.9 | 176.4 | 0 | 0 | 0 | 107.2 | I123 T129 | I123-L125 HydrophobicContact CD1-CD2 3.92Å; I123-L125 HydrophobicContact CG1-CD2 4.03Å; I123-L125 HydrophobicContact CG2-CD2 4.41Å; I123-L125 HydrophobicContact CG2-CG 4.49Å; I123-L125 PolarHBondContact O-N 2.76Å; L125-T129 HydrophobicContact CB-CG2 4.16Å; L125-T129 HydrophobicContact CD1-CG2 4.24Å; L125-T129 HydrophobicContact CD2-CG2 4.42Å | ||
| 126 | D | 68.1 | Low | 71.6 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | trans | -76.4 | 173.6 | 158.7 | 64.8 | 9.9 | 0 | 0 | 0 | 108.7 | S128 | D126-S128 PolarHBondContact O-N 3.22Å; D126-S128 VanDerWaalsContact OD1-CA 3.29Å; D126-S128 WeakPolarHBondContact OD1-CA 3.21Å; D126-S128 WeakPolarHBondContact OD1-CB 3.4Å; D126-S128 PolarHBondContact OD1-N 3Å | ||
| 127 | D | 69.2 | Low | 73.3 | Confident | 138 Ų | 138 | 99.7 Ų | 99.7 | 74% | 0.738 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -67.1 | 3.8 | 176 | -58.3 | -31.9 | 0 | 0 | 0 | 112.6 | T129 Q132 | D127-T129 PolarHBondContact O-N 3.22Å; D127-Q132 WeakPolarHBondContact O-CB 3.29Å |
| 128 | S | 64.9 | Low | 74.8 | Confident | 46 Ų | 46 | 92 Ų | 92 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | trans | -99.4 | 55.9 | 175.8 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | D126 | D126-S128 PolarHBondContact O-N 3.22Å; D126-S128 VanDerWaalsContact OD1-CA 3.29Å; D126-S128 WeakPolarHBondContact OD1-CA 3.21Å; D126-S128 WeakPolarHBondContact OD1-CB 3.4Å; D126-S128 PolarHBondContact OD1-N 3Å | ||
| 129 | T | 72.6 | Confident | 76.3 | Confident | 35 Ų | 35 | 87.9 Ų | 87.9 | 22% | 0.215 | 49% | 0.493 | C | S | . | . | trans | -74.5 | 165.7 | 170.3 | 60.6 | 0 | 0 | 0 | 0 | 110.6 | L125 D127 S131 Q132 | L125-T129 HydrophobicContact CB-CG2 4.16Å; L125-T129 HydrophobicContact CD1-CG2 4.24Å; L125-T129 HydrophobicContact CD2-CG2 4.42Å; D127-T129 PolarHBondContact O-N 3.22Å; T129-S131 PolarHBondContact O-N 3.36Å; T129-S131 VanDerWaalsContact O-N 3.12Å; T129-S131 PolarHBondContact OG1-OG 3.39Å; T129-Q132 CarbonylContact O-C 3.21Å; T129-Q132 PolarHBondContact O-N 3.34Å; T129-Q132 PolarHBondContact OG1-N 3.08Å | ||
| 130 | I | 70.6 | Confident | 77.6 | Confident | 177 Ų | 177 | 87.2 Ų | 87.2 | 91% | 0.908 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -31.6 | 170.9 | -69.9 | 173.8 | 0 | 0 | 0 | 111.6 | ||
| 131 | S | 75.1 | Confident | 79.4 | Confident | 98 Ų | 98 | 85.4 Ų | 85.4 | 69% | 0.685 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.4 | 177.6 | 53 | 0 | 0 | 0 | 0 | 114.7 | T129 | T129-S131 PolarHBondContact O-N 3.36Å; T129-S131 VanDerWaalsContact O-N 3.12Å; T129-S131 PolarHBondContact OG1-OG 3.39Å |
| 132 | Q | 75.1 | Confident | 80.7 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -137.1 | 64.5 | -179.8 | -66.6 | -172.4 | -5 | 0 | 0 | 110.4 | D127 T129 H134 | D127-Q132 WeakPolarHBondContact O-CB 3.29Å; T129-Q132 CarbonylContact O-C 3.21Å; T129-Q132 PolarHBondContact O-N 3.34Å; T129-Q132 PolarHBondContact OG1-N 3.08Å; Q132-H134 PolarHBondContact O-N 3.12Å |
| 133 | P | 83.2 | Confident | 82.1 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 24% | 0.24 | 40% | 0.397 | C | S | . | . | trans | -64 | 128.2 | -177.9 | 27.2 | -35.4 | 0 | 0 | 0 | 111.5 | L135 A206 E207 | P133-L135 PolarHBondContact O-N 2.6Å; P133-L135 VanDerWaalsContact O-N 3.12Å; P133-A206 HydrophobicContact CB-CB 3.64Å; P133-A206 HydrophobicContact CG-CB 3.74Å; P133-E207 HydrophobicContact CG-CG 4.43Å; P133-E207 VanDerWaalsContact CG-OE1 3.32Å; P133-E207 WeakPolarHBondContact CG-OE1 3.24Å | ||
| 134 | H | 86.6 | Confident | 83.2 | Confident | 90 Ų | 90 | 73 Ų | 73 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | trans | -76.9 | 103.1 | -178.5 | -167.2 | -36.4 | 0 | 0 | 0 | 111.7 | Q132 K136 N137 T138 | Q132-H134 PolarHBondContact O-N 3.12Å; H134-K136 VanDerWaalsContact CE1-CB 3.45Å; H134-K136 WeakPolarHBondContact CE1-CB 3.45Å; H134-K136 PolarHBondContact ND1-N 2.83Å; H134-K136 PolarHBondContact O-N 3.31Å; H134-N137 HydrophobicContact CB-CB 4.34Å; H134-N137 PolarHBondContact O-N 2.95Å; H134-T138 PolarHBondContact O-N 2.98Å; H134-T138 VanDerWaalsContact O-N 3.08Å; H134-T138 PolarHBondContact O-OG1 2.83Å | ||
| 135 | L | 91.4 | Very high | 84.7 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -49 | -48.2 | -176.8 | 177 | 60.3 | 0 | 0 | 0 | 114.4 | P133 N137 T138 V139 F199 A206 | P133-L135 PolarHBondContact O-N 2.6Å; P133-L135 VanDerWaalsContact O-N 3.12Å; L135-N137 VanDerWaalsContact C-N 3.27Å; L135-N137 PolarHBondContact O-N 3.21Å; L135-T138 WeakPolarHBondContact O-CB 3.32Å; L135-T138 PolarHBondContact O-N 3.28Å; L135-T138 VanDerWaalsContact O-N 3.15Å; L135-V139 HydrophobicContact CD1-CG2 3.94Å; L135-V139 HydrophobicContact CG-CG2 4.4Å; L135-V139 WeakPolarHBondContact O-CG2 3Å; L135-V139 PolarHBondContact O-N 3.14Å; L135-F199 HydrophobicContact CD1-CD1 3.8Å; L135-F199 HydrophobicContact CD1-CE1 4.3Å; L135-A206 HydrophobicContact CB-CB 4.43Å; L135-A206 HydrophobicContact CD1-CB 4.38Å |
| 136 | K | 91.8 | Very high | 86 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.1 | -39.4 | 178.5 | -170.6 | 179.8 | -179.2 | 178.7 | 0 | 113.1 | H134 K140 | H134-K136 VanDerWaalsContact CE1-CB 3.45Å; H134-K136 WeakPolarHBondContact CE1-CB 3.45Å; H134-K136 PolarHBondContact ND1-N 2.83Å; H134-K136 PolarHBondContact O-N 3.31Å; K136-K140 WeakPolarHBondContact O-CG 3.44Å; K136-K140 PolarHBondContact O-N 3.27Å |
| 137 | N | 92 | Very high | 87.4 | Confident | 40 Ų | 40 | 62.8 Ų | 62.8 | 21% | 0.214 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.6 | -41.8 | 178.6 | -69.4 | -18.3 | 0 | 0 | 0 | 110.3 | H134 L135 V139 K140 C141 | H134-N137 HydrophobicContact CB-CB 4.34Å; H134-N137 PolarHBondContact O-N 2.95Å; L135-N137 VanDerWaalsContact C-N 3.27Å; L135-N137 PolarHBondContact O-N 3.21Å; N137-V139 PolarHBondContact O-N 3.17Å; N137-K140 WeakPolarHBondContact O-CB 3.39Å; N137-K140 PolarHBondContact O-N 2.86Å; N137-K140 VanDerWaalsContact O-N 3.12Å; N137-C141 PolarHBondContact O-N 2.9Å; N137-C141 PolarHBondContact O-SG 2.89Å |
| 138 | T | 94.3 | Very high | 88.7 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 174.9 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | H134 L135 K140 C141 I142 A206 I210 | H134-T138 PolarHBondContact O-N 2.98Å; H134-T138 VanDerWaalsContact O-N 3.08Å; H134-T138 PolarHBondContact O-OG1 2.83Å; L135-T138 WeakPolarHBondContact O-CB 3.32Å; L135-T138 PolarHBondContact O-N 3.28Å; L135-T138 VanDerWaalsContact O-N 3.15Å; T138-K140 VanDerWaalsContact C-N 3.31Å; T138-K140 PolarHBondContact O-N 3.39Å; T138-C141 WeakPolarHBondContact O-CB 3.49Å; T138-C141 PolarHBondContact O-N 3.37Å; T138-C141 VanDerWaalsContact O-N 3.14Å; T138-I142 HydrophobicContact CG2-CD1 3.87Å; T138-I142 HydrophobicContact CG2-CG1 4.44Å; T138-I142 VanDerWaalsContact O-CG1 3.28Å; T138-I142 WeakPolarHBondContact O-CG1 3.35Å; T138-I142 PolarHBondContact O-N 3.23Å; T138-A206 HydrophobicContact CG2-CB 4.37Å; T138-A206 WeakPolarHBondContact CG2-O 3.25Å; T138-I210 HydrophobicContact CG2-CG1 4.29Å |
| 139 | V | 95.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 176.3 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | L135 N137 S143 Y192 V195 R196 F199 | L135-V139 HydrophobicContact CD1-CG2 3.94Å; L135-V139 HydrophobicContact CG-CG2 4.4Å; L135-V139 WeakPolarHBondContact O-CG2 3Å; L135-V139 PolarHBondContact O-N 3.14Å; N137-V139 PolarHBondContact O-N 3.17Å; V139-S143 WeakPolarHBondContact O-CB 3.26Å; V139-S143 PolarHBondContact O-N 3.39Å; V139-S143 PolarHBondContact O-OG 3.05Å; V139-Y192 HydrophobicContact CB-CE2 4.28Å; V139-Y192 HydrophobicContact CG1-CD2 3.83Å; V139-Y192 HydrophobicContact CG1-CE2 3.62Å; V139-V195 HydrophobicContact CG1-CB 4.33Å; V139-V195 HydrophobicContact CG1-CG1 3.94Å; V139-R196 HydrophobicContact CG1-CB 4.11Å; V139-F199 HydrophobicContact CG2-CB 4.38Å; V139-F199 HydrophobicContact CG2-CD1 4.06Å; V139-F199 HydrophobicContact CG2-CG 4.06Å |
| 140 | K | 95.8 | Very high | 91.1 | Very high | 93 Ų | 93 | 61.5 Ų | 61.5 | 40% | 0.404 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 173.8 | -74.1 | 175.5 | 177.2 | -176.4 | 0 | 111.9 | K136 N137 T138 S143 L144 Y192 | K136-K140 WeakPolarHBondContact O-CG 3.44Å; K136-K140 PolarHBondContact O-N 3.27Å; N137-K140 WeakPolarHBondContact O-CB 3.39Å; N137-K140 PolarHBondContact O-N 2.86Å; N137-K140 VanDerWaalsContact O-N 3.12Å; T138-K140 VanDerWaalsContact C-N 3.31Å; T138-K140 PolarHBondContact O-N 3.39Å; K140-S143 PolarHBondContact O-N 2.84Å; K140-L144 WeakPolarHBondContact O-CG 3.44Å; K140-L144 PolarHBondContact O-N 3.02Å; K140-Y192 HydrophobicContact CG-CD2 4.03Å; K140-Y192 HydrophobicContact CG-CE2 3.64Å |
| 141 | C | 95.5 | Very high | 92.2 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 45% | 0.446 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 179.1 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | N137 T138 S143 L144 A145 | N137-C141 PolarHBondContact O-N 2.9Å; N137-C141 PolarHBondContact O-SG 2.89Å; T138-C141 WeakPolarHBondContact O-CB 3.49Å; T138-C141 PolarHBondContact O-N 3.37Å; T138-C141 VanDerWaalsContact O-N 3.14Å; C141-S143 VanDerWaalsContact C-N 3.29Å; C141-S143 PolarHBondContact O-N 3.15Å; C141-L144 PolarHBondContact O-N 3.12Å; C141-A145 WeakPolarHBondContact O-CB 3.28Å; C141-A145 PolarHBondContact O-N 3.42Å |
| 142 | I | 96.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 175.9 | -66.5 | 162.1 | 0 | 0 | 0 | 110.3 | T138 L144 A145 I146 V195 F199 G209 | T138-I142 HydrophobicContact CG2-CD1 3.87Å; T138-I142 HydrophobicContact CG2-CG1 4.44Å; T138-I142 VanDerWaalsContact O-CG1 3.28Å; T138-I142 WeakPolarHBondContact O-CG1 3.35Å; T138-I142 PolarHBondContact O-N 3.23Å; I142-L144 VanDerWaalsContact C-N 3.33Å; I142-L144 PolarHBondContact O-N 3.21Å; I142-A145 PolarHBondContact O-N 3.46Å; I142-I146 HydrophobicContact CG2-CD1 3.66Å; I142-I146 HydrophobicContact CG2-CG1 4.45Å; I142-I146 WeakPolarHBondContact O-CD1 3.41Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.49Å; I142-I146 PolarHBondContact O-N 3.18Å; I142-V195 HydrophobicContact CG2-CG1 4.23Å; I142-F199 HydrophobicContact CD1-CZ 4.19Å; I142-G209 VanDerWaalsContact CD1-O 3.26Å; I142-G209 WeakPolarHBondContact CD1-O 3.3Å |
| 143 | S | 97.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | -178.4 | -53 | 0 | 0 | 0 | 0 | 112.4 | V139 K140 C141 Y147 Y192 | V139-S143 WeakPolarHBondContact O-CB 3.26Å; V139-S143 PolarHBondContact O-N 3.39Å; V139-S143 PolarHBondContact O-OG 3.05Å; K140-S143 PolarHBondContact O-N 2.84Å; C141-S143 VanDerWaalsContact C-N 3.29Å; C141-S143 PolarHBondContact O-N 3.15Å; S143-Y147 VanDerWaalsContact O-CB 3.3Å; S143-Y147 WeakPolarHBondContact O-CB 3.44Å; S143-Y147 PolarHBondContact O-N 3.06Å; S143-Y192 WeakPolarHBondContact OG-CA 3.19Å |
| 144 | L | 97.3 | Very high | 93.9 | Very high | 69 Ų | 69 | 60.3 Ų | 60.3 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 174.8 | -73.7 | 171.1 | 0 | 0 | 0 | 111.9 | K140 C141 I142 Y147 Y148 H188 | K140-L144 WeakPolarHBondContact O-CG 3.44Å; K140-L144 PolarHBondContact O-N 3.02Å; C141-L144 PolarHBondContact O-N 3.12Å; I142-L144 VanDerWaalsContact C-N 3.33Å; I142-L144 PolarHBondContact O-N 3.21Å; L144-Y147 WeakPolarHBondContact O-CB 3.38Å; L144-Y147 PolarHBondContact O-N 3.38Å; L144-Y148 HydrophobicContact CB-CD2 4.4Å; L144-Y148 HydrophobicContact CB-CE2 4.27Å; L144-Y148 HydrophobicContact CD2-CE2 4.41Å; L144-Y148 WeakPolarHBondContact O-CD2 3.49Å; L144-Y148 PolarHBondContact O-N 3.48Å; L144-H188 HydrophobicContact CD2-CB 4.15Å |
| 145 | A | 96.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 20% | 0.198 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C141 I142 Y147 Y148 H149 L213 | C141-A145 WeakPolarHBondContact O-CB 3.28Å; C141-A145 PolarHBondContact O-N 3.42Å; I142-A145 PolarHBondContact O-N 3.46Å; A145-Y147 VanDerWaalsContact C-N 3.34Å; A145-Y147 PolarHBondContact O-N 3.41Å; A145-Y148 PolarHBondContact O-N 3.21Å; A145-H149 PolarHBondContact O-CD2 2.85Å; A145-H149 PolarHBondContact O-N 3.02Å; A145-L213 HydrophobicContact CB-CD1 3.59Å; A145-L213 HydrophobicContact CB-CD2 4.14Å |
| 146 | I | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57 | -48.2 | 173.1 | -67.2 | 161 | 0 | 0 | 0 | 110.4 | I142 Y148 H149 I150 I191 V195 I216 L227 W232 V236 | I142-I146 HydrophobicContact CG2-CD1 3.66Å; I142-I146 HydrophobicContact CG2-CG1 4.45Å; I142-I146 WeakPolarHBondContact O-CD1 3.41Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.49Å; I142-I146 PolarHBondContact O-N 3.18Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 3.2Å; I146-H149 PolarHBondContact O-N 2.92Å; I146-I150 HydrophobicContact CG2-CD1 4.13Å; I146-I150 WeakPolarHBondContact O-CG1 3.22Å; I146-I150 PolarHBondContact O-N 3.38Å; I146-I191 HydrophobicContact CB-CG2 3.93Å; I146-I191 HydrophobicContact CD1-CG2 3.98Å; I146-I191 HydrophobicContact CG2-CD1 3.93Å; I146-I191 HydrophobicContact CG2-CG1 4.3Å; I146-I191 HydrophobicContact CG2-CG2 3.71Å; I146-V195 HydrophobicContact CD1-CG2 4.07Å; I146-I216 HydrophobicContact CD1-CD1 4.33Å; I146-I216 HydrophobicContact CG1-CD1 4.25Å; I146-L227 HydrophobicContact CB-CD2 4.42Å; I146-L227 HydrophobicContact CG2-CD2 3.69Å; I146-W232 HydrophobicContact CG2-CE3 4.34Å; I146-V236 HydrophobicContact CD1-CG1 4.19Å; I146-V236 HydrophobicContact CD1-CG2 3.5Å; I146-V236 HydrophobicContact CG1-CG2 4.04Å; I146-V236 HydrophobicContact CG2-CG2 4.32Å |
| 147 | Y | 96.7 | Very high | 93.2 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 178.7 | 170.1 | -102.1 | 0 | 0 | 0 | 112.4 | S143 L144 A145 I150 S151 H188 I191 | S143-Y147 VanDerWaalsContact O-CB 3.3Å; S143-Y147 WeakPolarHBondContact O-CB 3.44Å; S143-Y147 PolarHBondContact O-N 3.06Å; L144-Y147 WeakPolarHBondContact O-CB 3.38Å; L144-Y147 PolarHBondContact O-N 3.38Å; A145-Y147 VanDerWaalsContact C-N 3.34Å; A145-Y147 PolarHBondContact O-N 3.41Å; Y147-I150 PolarHBondContact O-N 3.13Å; Y147-S151 WeakPolarHBondContact CE2-OG 3.49Å; Y147-S151 VanDerWaalsContact O-CB 3.27Å; Y147-S151 WeakPolarHBondContact O-CB 3.44Å; Y147-S151 PolarHBondContact O-N 3.25Å; Y147-S151 PolarHBondContact O-OG 2.96Å; Y147-H188 HydrophobicContact CD1-CB 4.36Å; Y147-H188 HydrophobicContact CD2-CB 4.07Å; Y147-H188 HydrophobicContact CG-CB 3.89Å; Y147-I191 HydrophobicContact CD2-CD1 4.34Å |
| 148 | Y | 95.8 | Very high | 93 | Very high | 125 Ų | 125 | 63.8 Ų | 63.8 | 49% | 0.49 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.8 | -33.2 | 178.3 | -73.4 | -56.7 | 0 | 0 | 0 | 112.6 | L144 A145 I146 I150 S151 N152 | L144-Y148 HydrophobicContact CB-CD2 4.4Å; L144-Y148 HydrophobicContact CB-CE2 4.27Å; L144-Y148 HydrophobicContact CD2-CE2 4.41Å; L144-Y148 WeakPolarHBondContact O-CD2 3.49Å; L144-Y148 PolarHBondContact O-N 3.48Å; A145-Y148 PolarHBondContact O-N 3.21Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 3.2Å; Y148-I150 VanDerWaalsContact C-N 3.35Å; Y148-S151 PolarHBondContact O-N 3.2Å; Y148-N152 WeakPolarHBondContact O-CB 3.06Å; Y148-N152 PolarHBondContact O-N 3.42Å |
| 149 | H | 94.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 65.5 Ų | 65.5 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 170.9 | -84.4 | -66.1 | 0 | 0 | 0 | 112 | A145 I146 R153 L227 | A145-H149 PolarHBondContact O-CD2 2.85Å; A145-H149 PolarHBondContact O-N 3.02Å; I146-H149 PolarHBondContact O-N 2.92Å; H149-R153 PolarHBondContact O-N 3.27Å; H149-L227 HydrophobicContact CB-CB 4.26Å; H149-L227 HydrophobicContact CB-CD2 4.18Å |
| 150 | I | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.1 | -49.2 | 176.7 | -60.2 | 170.5 | 0 | 0 | 0 | 110.2 | I146 Y147 Y148 N152 R153 D185 P186 I191 L227 W232 | I146-I150 HydrophobicContact CG2-CD1 4.13Å; I146-I150 WeakPolarHBondContact O-CG1 3.22Å; I146-I150 PolarHBondContact O-N 3.38Å; Y147-I150 PolarHBondContact O-N 3.13Å; Y148-I150 VanDerWaalsContact C-N 3.35Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 2.98Å; I150-R153 WeakPolarHBondContact O-CD 3.25Å; I150-R153 VanDerWaalsContact O-CG 3.29Å; I150-R153 WeakPolarHBondContact O-CG 3.41Å; I150-R153 PolarHBondContact O-N 2.63Å; I150-R153 PolarHBondContact O-NH1 3.27Å; I150-D185 HydrophobicContact CG2-CB 4.21Å; I150-P186 HydrophobicContact CD1-CG 3.63Å; I150-I191 HydrophobicContact CD1-CD1 4.23Å; I150-L227 HydrophobicContact CD1-CD2 4.14Å; I150-L227 HydrophobicContact CG1-CB 4.07Å; I150-L227 HydrophobicContact CG1-CD2 3.71Å; I150-L227 HydrophobicContact CG1-CG 4.04Å; I150-W232 HydrophobicContact CD1-CB 3.81Å; I150-W232 HydrophobicContact CD1-CD2 4.45Å; I150-W232 HydrophobicContact CD1-CG 3.91Å |
| 151 | S | 92.6 | Very high | 92 | Very high | 25 Ų | 25 | 68 Ų | 68 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | -173.4 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | Y147 Y148 R156 | Y147-S151 WeakPolarHBondContact CE2-OG 3.49Å; Y147-S151 VanDerWaalsContact O-CB 3.27Å; Y147-S151 WeakPolarHBondContact O-CB 3.44Å; Y147-S151 PolarHBondContact O-N 3.25Å; Y147-S151 PolarHBondContact O-OG 2.96Å; Y148-S151 PolarHBondContact O-N 3.2Å; S151-R156 PolarHBondContact O-NH2 3.41Å |
| 152 | N | 91.7 | Very high | 91.6 | Very high | 122 Ų | 122 | 68.8 Ų | 68.8 | 65% | 0.652 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 17.6 | -175.7 | -56.2 | -17.8 | 0 | 0 | 0 | 112.8 | Y148 I150 R154 | Y148-N152 WeakPolarHBondContact O-CB 3.06Å; Y148-N152 PolarHBondContact O-N 3.42Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 2.98Å; N152-R154 PolarHBondContact O-N 2.94Å |
| 153 | R | 91.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 74.1 Ų | 74.1 | 11% | 0.109 | 37% | 0.366 | C | S | . | . | trans | -58.8 | 133.9 | 177 | 71.8 | -172.6 | 178.8 | -89.9 | 12.9 | 110.4 | H149 I150 R156 E159 D185 L227 | H149-R153 PolarHBondContact O-N 3.27Å; I150-R153 WeakPolarHBondContact O-CD 3.25Å; I150-R153 VanDerWaalsContact O-CG 3.29Å; I150-R153 WeakPolarHBondContact O-CG 3.41Å; I150-R153 PolarHBondContact O-N 2.63Å; I150-R153 PolarHBondContact O-NH1 3.27Å; R153-R156 HydrophobicContact CG-CG 3.81Å; R153-E159 IonicContact CZ-OE1 2.88Å; R153-E159 IonicContact NE-OE1 2.94Å; R153-E159 PolarHBondContact NE-OE1 3.19Å; R153-E159 IonicContact NH2-OE1 2.91Å; R153-E159 PolarHBondContact NH2-OE1 2.97Å; R153-D185 IonicContact CZ-OD1 2.88Å; R153-D185 VanDerWaalsContact CZ-OD1 3.3Å; R153-D185 IonicContact CZ-OD2 2.88Å; R153-D185 IonicContact NH1-OD1 3.92Å; R153-D185 PolarHBondContact NH1-OD1 3.28Å; R153-D185 IonicContact NH1-OD2 3.46Å; R153-D185 PolarHBondContact NH1-OD2 3.21Å; R153-D185 IonicContact NH2-OD1 3.26Å; R153-D185 PolarHBondContact NH2-OD1 3.44Å; R153-D185 IonicContact NH2-OD2 3.6Å; R153-L227 WeakPolarHBondContact CD-O 3.45Å | ||
| 154 | R | 87 | Confident | 90.8 | Very high | 231 Ų | 231 | 78.6 Ų | 78.6 | 87% | 0.872 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -71.9 | -36.2 | -173.1 | -176.9 | 176.6 | 171.2 | 173.3 | -2.9 | 112.8 | N152 R156 | N152-R154 PolarHBondContact O-N 2.94Å; R154-R156 PolarHBondContact O-N 2.9Å |
| 155 | N | 87.2 | Confident | 90.3 | Very high | 49 Ų | 49 | 77 Ų | 77 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | trans | -102.1 | 48.8 | -169.5 | -55 | -46.4 | 0 | 0 | 0 | 112.7 | G157 N158 E159 R160 D226 | N155-G157 PolarHBondContact O-N 3.16Å; N155-N158 WeakPolarHBondContact CB-O 3.41Å; N155-N158 CarbonylContact O-C 3.54Å; N155-N158 VanDerWaalsContact O-C 3.31Å; N155-N158 PolarHBondContact O-N 3.03Å; N155-E159 VanDerWaalsContact O-CG 3.31Å; N155-E159 WeakPolarHBondContact O-CG 3.3Å; N155-E159 PolarHBondContact O-N 3.01Å; N155-R160 PolarHBondContact ND2-NE 3.02Å; N155-D226 PolarHBondContact ND2-OD2 3.47Å | ||
| 156 | R | 85.5 | Confident | 89.7 | Confident | 136 Ų | 136 | 76.6 Ų | 76.6 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 122.2 | 177.9 | -80.6 | -173.2 | 177.7 | -99.1 | -2.3 | 110.9 | S151 R153 R154 E159 D185 | S151-R156 PolarHBondContact O-NH2 3.41Å; R153-R156 HydrophobicContact CG-CG 3.81Å; R154-R156 PolarHBondContact O-N 2.9Å; R156-E159 WeakPolarHBondContact CA-OE1 3.47Å; R156-D185 IonicContact CZ-OD2 2.93Å; R156-D185 VanDerWaalsContact CZ-OD2 3.28Å; R156-D185 IonicContact NH1-OD2 2.89Å; R156-D185 PolarHBondContact NH1-OD2 3.02Å; R156-D185 IonicContact NH2-OD2 3.3Å; R156-D185 PolarHBondContact NH2-OD2 3.04Å |
| 157 | G | 81.8 | Confident | 89.1 | Confident | 71 Ų | 71 | 76.8 Ų | 76.8 | 73% | 0.732 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -4.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N155 E159 | N155-G157 PolarHBondContact O-N 3.16Å; G157-E159 VanDerWaalsContact CA-OE2 3.28Å; G157-E159 WeakPolarHBondContact CA-OE2 3.31Å; G157-E159 PolarHBondContact N-OE1 3.5Å; G157-E159 PolarHBondContact N-OE2 2.89Å |
| 158 | N | 88.2 | Confident | 88.4 | Confident | 135 Ų | 135 | 78.9 Ų | 78.9 | 72% | 0.722 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -141.1 | 49.8 | 169.8 | -171.2 | 33.8 | 0 | 0 | 0 | 109.1 | N155 | N155-N158 WeakPolarHBondContact CB-O 3.41Å; N155-N158 CarbonylContact O-C 3.54Å; N155-N158 VanDerWaalsContact O-C 3.31Å; N155-N158 PolarHBondContact O-N 3.03Å |
| 159 | E | 88.5 | Confident | 87.7 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | trans | -68 | 133.9 | -173.9 | -67.4 | 91.9 | 164.3 | 0 | 0 | 111.6 | R153 N155 R156 G157 S161 D226 C228 | R153-E159 IonicContact CZ-OE1 2.88Å; R153-E159 IonicContact NE-OE1 2.94Å; R153-E159 PolarHBondContact NE-OE1 3.19Å; R153-E159 IonicContact NH2-OE1 2.91Å; R153-E159 PolarHBondContact NH2-OE1 2.97Å; N155-E159 VanDerWaalsContact O-CG 3.31Å; N155-E159 WeakPolarHBondContact O-CG 3.3Å; N155-E159 PolarHBondContact O-N 3.01Å; R156-E159 WeakPolarHBondContact CA-OE1 3.47Å; G157-E159 VanDerWaalsContact CA-OE2 3.28Å; G157-E159 WeakPolarHBondContact CA-OE2 3.31Å; G157-E159 PolarHBondContact N-OE1 3.5Å; G157-E159 PolarHBondContact N-OE2 2.89Å; E159-S161 PolarHBondContact O-N 3.2Å; E159-D226 HydrophobicContact CB-CB 4.35Å; E159-C228 WeakPolarHBondContact CB-SG 3.39Å; E159-C228 WeakPolarHBondContact CG-SG 3.21Å | ||
| 160 | R | 89.8 | Confident | 87 | Confident | 101 Ų | 101 | 80 Ų | 80 | 38% | 0.381 | 39% | 0.394 | S | S | . | . | trans | -76.4 | 106.7 | 173.3 | -63.3 | 173.7 | -64.3 | 164 | 12.8 | 108.1 | N155 E224 I225 D226 | N155-R160 PolarHBondContact ND2-NE 3.02Å; R160-E224 WeakPolarHBondContact CB-O 3.31Å; R160-E224 WeakPolarHBondContact CD-O 3.43Å; R160-E224 PolarHBondContact NE-O 2.93Å; R160-E224 VanDerWaalsContact NH1-CB 3.34Å; R160-E224 PolarHBondContact NH1-O 3.22Å; R160-E224 IonicContact NH1-OE2 3.85Å; R160-I225 CarbonylContact O-C 3.43Å; R160-I225 WeakPolarHBondContact O-CA 3.24Å; R160-I225 WeakPolarHBondContact O-CG2 3.46Å; R160-D226 IonicContact CZ-OD1 2.88Å; R160-D226 PolarHBondContact N-OD2 3.46Å; R160-D226 VanDerWaalsContact N-OD2 3.08Å; R160-D226 IonicContact NE-OD1 2.84Å; R160-D226 IonicContact NE-OD2 3.65Å; R160-D226 PolarHBondContact NE-OD2 2.88Å; R160-D226 IonicContact NH2-OD1 3.8Å; R160-D226 PolarHBondContact NH2-OD1 3.02Å; R160-D226 IonicContact NH2-OD2 2.91Å; R160-D226 PolarHBondContact O-N 3.44Å | ||
| 161 | S | 86.8 | Confident | 86.2 | Confident | 49 Ų | 49 | 83.4 Ų | 83.4 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | trans | -121.4 | 162.5 | 177.6 | -163.3 | 0 | 0 | 0 | 0 | 110.5 | E159 N231 | E159-S161 PolarHBondContact O-N 3.2Å; S161-N231 PolarHBondContact OG-ND2 3.46Å | ||
| 162 | M | 87 | Confident | 85.3 | Confident | 82 Ų | 82 | 83.5 Ų | 83.5 | 40% | 0.404 | 42% | 0.415 | S | S | . | . | trans | -119.6 | 136.9 | 170.6 | -63.9 | -178.1 | 75.2 | 0 | 0 | 109.3 | I164 F165 D166 A223 I225 | M162-I164 HydrophobicContact CB-CG1 4.05Å; M162-I164 HydrophobicContact CE-CD1 4.28Å; M162-I164 PolarHBondContact O-N 3.39Å; M162-I164 VanDerWaalsContact O-N 3.08Å; M162-F165 HydrophobicContact CB-CD2 4.09Å; M162-F165 PolarHBondContact O-N 3.38Å; M162-F165 HydrophobicContact SD-CE2 4.35Å; M162-D166 PolarHBondContact O-N 2.93Å; M162-A223 HydrophobicContact SD-CB 4.44Å; M162-I225 HydrophobicContact CB-CD1 4.36Å; M162-I225 HydrophobicContact CG-CD1 3.65Å; M162-I225 HydrophobicContact CG-CG1 3.96Å; M162-I225 HydrophobicContact SD-CD1 3.41Å; M162-I225 WeakPolarHBondContact SD-CD1 3.46Å; M162-I225 HydrophobicContact SD-CG1 4.11Å | ||
| 163 | D | 87.8 | Confident | 84.2 | Confident | 116 Ų | 116 | 78.8 Ų | 78.8 | 62% | 0.62 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -53.5 | -35.7 | -175.9 | -55.6 | -7.7 | 0 | 0 | 0 | 113.1 | F165 D166 H170 | D163-F165 PolarHBondContact O-N 3.2Å; D163-F165 VanDerWaalsContact O-N 3.14Å; D163-D166 WeakPolarHBondContact O-CB 3.48Å; D163-D166 PolarHBondContact O-N 2.75Å; D163-H170 PolarHBondContact O-CD2 2.99Å; D163-H170 VanDerWaalsContact O-CD2 3.31Å |
| 164 | I | 88.1 | Confident | 82.9 | Confident | 95 Ų | 95 | 82.5 Ų | 82.5 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -60.7 | -25.6 | 179.4 | 61.3 | 170.8 | 0 | 0 | 0 | 113.4 | M162 | M162-I164 HydrophobicContact CB-CG1 4.05Å; M162-I164 HydrophobicContact CE-CD1 4.28Å; M162-I164 PolarHBondContact O-N 3.39Å; M162-I164 VanDerWaalsContact O-N 3.08Å |
| 165 | F | 87.3 | Confident | 81.9 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 15% | 0.154 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -101 | -5.1 | 178.3 | -60.5 | -57.1 | 0 | 0 | 0 | 112.8 | M162 D163 E167 L219 I225 N231 R234 I235 | M162-F165 HydrophobicContact CB-CD2 4.09Å; M162-F165 PolarHBondContact O-N 3.38Å; M162-F165 HydrophobicContact SD-CE2 4.35Å; D163-F165 PolarHBondContact O-N 3.2Å; D163-F165 VanDerWaalsContact O-N 3.14Å; F165-E167 PolarHBondContact O-N 2.94Å; F165-L219 HydrophobicContact CE2-CD1 4.41Å; F165-L219 HydrophobicContact CE2-CD2 4.12Å; F165-L219 HydrophobicContact CZ-CD1 4.46Å; F165-L219 HydrophobicContact CZ-CD2 3.95Å; F165-I225 HydrophobicContact CD2-CD1 3.97Å; F165-I225 HydrophobicContact CE2-CD1 3.81Å; F165-N231 HydrophobicContact CB-CB 4.04Å; F165-N231 VanDerWaalsContact O-CA 3.26Å; F165-N231 WeakPolarHBondContact O-CA 3.21Å; F165-N231 WeakPolarHBondContact O-CB 3.07Å; F165-R234 VanDerWaalsContact C-CD 3.45Å; F165-R234 HydrophobicContact CB-CB 4.26Å; F165-R234 HydrophobicContact CD1-CB 4.17Å; F165-R234 WeakPolarHBondContact O-CB 3.41Å; F165-R234 WeakPolarHBondContact O-CD 3.45Å; F165-I235 HydrophobicContact CB-CD1 4.37Å; F165-I235 HydrophobicContact CB-CG1 3.95Å; F165-I235 HydrophobicContact CD1-CG1 3.8Å; F165-I235 HydrophobicContact CD2-CD1 4.38Å; F165-I235 HydrophobicContact CD2-CG1 4.02Å; F165-I235 HydrophobicContact CE1-CG1 4.29Å; F165-I235 HydrophobicContact CE2-CG1 4.5Å; F165-I235 HydrophobicContact CG-CD1 4.32Å; F165-I235 HydrophobicContact CG-CG1 3.65Å |
| 166 | D | 85.4 | Confident | 80.7 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 9% | 0.086 | 42% | 0.423 | C | S | . | . | trans | -76.2 | 125.4 | 179.3 | -174.5 | -15.6 | 0 | 0 | 0 | 110.6 | M162 D163 Q168 F169 H170 | M162-D166 PolarHBondContact O-N 2.93Å; D163-D166 WeakPolarHBondContact O-CB 3.48Å; D163-D166 PolarHBondContact O-N 2.75Å; D166-Q168 VanDerWaalsContact C-N 3.32Å; D166-Q168 VanDerWaalsContact OD1-CB 3.3Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.3Å; D166-Q168 WeakPolarHBondContact OD1-CG 3.36Å; D166-Q168 PolarHBondContact OD1-N 3Å; D166-F169 HydrophobicContact CB-CD2 3.83Å; D166-F169 VanDerWaalsContact OD2-CD2 3.26Å; D166-F169 WeakPolarHBondContact OD2-CD2 3.36Å; D166-F169 VanDerWaalsContact OD2-CE2 3.23Å; D166-F169 WeakPolarHBondContact OD2-CE2 3.29Å; D166-H170 PolarHBondContact O-N 2.88Å | ||
| 167 | E | 84.1 | Confident | 79.8 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.019 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -12.6 | -178.7 | -67.4 | -165.5 | -105.2 | 0 | 0 | 115.1 | F165 H170 P171 I172 L182 E230 R233 R234 | F165-E167 PolarHBondContact O-N 2.94Å; E167-H170 WeakPolarHBondContact CA-O 3.29Å; E167-H170 CarbonylContact O-C 3.31Å; E167-P171 WeakPolarHBondContact O-CA 3.35Å; E167-I172 WeakPolarHBondContact OE2-CD1 3.34Å; E167-I172 WeakPolarHBondContact OE2-CG1 3.27Å; E167-L182 HydrophobicContact CB-CD2 4.26Å; E167-E230 VanDerWaalsContact CB-O 3.28Å; E167-E230 WeakPolarHBondContact CB-O 3.29Å; E167-E230 WeakPolarHBondContact CG-O 2.81Å; E167-E230 PolarHBondContact N-O 3.24Å; E167-R233 VanDerWaalsContact OE1-CB 3.31Å; E167-R233 WeakPolarHBondContact OE1-CB 3.41Å; E167-R233 IonicContact OE1-CZ 2.75Å; E167-R233 IonicContact OE1-NE 3.42Å; E167-R233 PolarHBondContact OE1-NE 2.75Å; E167-R233 IonicContact OE1-NH1 2.6Å; E167-R233 IonicContact OE1-NH2 2.88Å; E167-R233 PolarHBondContact OE1-NH2 2.8Å; E167-R233 IonicContact OE2-CZ 2.89Å; E167-R233 IonicContact OE2-NE 3.85Å; E167-R233 PolarHBondContact OE2-NE 3.26Å; E167-R233 IonicContact OE2-NH1 3.76Å; E167-R233 PolarHBondContact OE2-NH1 3.08Å; E167-R233 IonicContact OE2-NH2 3.87Å; E167-R233 PolarHBondContact OE2-NH2 2.99Å; E167-R234 HydrophobicContact CG-CG 3.64Å |
| 168 | Q | 81.2 | Confident | 79.3 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -48.8 | 168.5 | -60.5 | -168.9 | 30.9 | 0 | 0 | 110.6 | D166 L182 E230 | D166-Q168 VanDerWaalsContact C-N 3.32Å; D166-Q168 VanDerWaalsContact OD1-CB 3.3Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.3Å; D166-Q168 WeakPolarHBondContact OD1-CG 3.36Å; D166-Q168 PolarHBondContact OD1-N 3Å; Q168-L182 HydrophobicContact CG-CD1 3.43Å; Q168-L182 VanDerWaalsContact CG-CD1 3.43Å; Q168-E230 PolarHBondContact NE2-OE1 2.92Å |
| 169 | F | 80.6 | Confident | 78.2 | Confident | 133 Ų | 133 | 72.6 Ų | 72.6 | 58% | 0.583 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -31.3 | 179.8 | -62.2 | -64.7 | 0 | 0 | 0 | 112.5 | D166 | D166-F169 HydrophobicContact CB-CD2 3.83Å; D166-F169 VanDerWaalsContact OD2-CD2 3.26Å; D166-F169 WeakPolarHBondContact OD2-CD2 3.36Å; D166-F169 VanDerWaalsContact OD2-CE2 3.23Å; D166-F169 WeakPolarHBondContact OD2-CE2 3.29Å |
| 170 | H | 80.6 | Confident | 77.6 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 38% | 0.375 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -130.7 | 88.4 | -178.7 | -55.2 | -58.4 | 0 | 0 | 0 | 108.9 | D163 D166 E167 I172 R234 | D163-H170 PolarHBondContact O-CD2 2.99Å; D163-H170 VanDerWaalsContact O-CD2 3.31Å; D166-H170 PolarHBondContact O-N 2.88Å; E167-H170 WeakPolarHBondContact CA-O 3.29Å; E167-H170 CarbonylContact O-C 3.31Å; H170-I172 PolarHBondContact O-N 3.35Å; H170-R234 PolarHBondContact O-NE 3.19Å; H170-R234 PolarHBondContact O-NH2 3.14Å |
| 171 | P | 77.1 | Confident | 77.1 | Confident | 73 Ų | 73 | 73.8 Ų | 73.8 | 47% | 0.474 | 42% | 0.415 | S | S | . | . | trans | -69.3 | 134.8 | 177.9 | 25.1 | -32.9 | 0 | 0 | 0 | 111.1 | E167 F177 R234 | E167-P171 WeakPolarHBondContact O-CA 3.35Å; P171-F177 HydrophobicContact CB-CE2 4.34Å; P171-R234 PolarHBondContact O-NH2 3.04Å | ||
| 172 | I | 73.5 | Confident | 76.8 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 14% | 0.138 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -75.3 | -36.2 | 169 | -63.6 | 177.4 | 0 | 0 | 0 | 110.6 | E167 H170 R233 R234 L237 L261 | E167-I172 WeakPolarHBondContact OE2-CD1 3.34Å; E167-I172 WeakPolarHBondContact OE2-CG1 3.27Å; H170-I172 PolarHBondContact O-N 3.35Å; I172-R233 HydrophobicContact CD1-CB 3.4Å; I172-R234 HydrophobicContact CD1-CB 4.42Å; I172-R234 HydrophobicContact CD1-CG 3.63Å; I172-R234 HydrophobicContact CG1-CG 3.75Å; I172-L237 HydrophobicContact CD1-CD2 4.31Å; I172-L261 HydrophobicContact CG2-CD2 4.05Å |
| 173 | T | 69.8 | Low | 76.6 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 14% | 0.135 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -109.3 | 128.9 | -176.4 | -79.8 | 0 | 0 | 0 | 0 | 109.7 | G175 F177 N265 | T173-G175 PolarHBondContact O-N 3.43Å; T173-G175 VanDerWaalsContact O-N 3.11Å; T173-F177 HydrophobicContact CG2-CE1 3.91Å; T173-F177 HydrophobicContact CG2-CZ 3.92Å; T173-F177 WeakPolarHBondContact O-CZ 3.48Å; T173-N265 WeakPolarHBondContact CB-OD1 3.23Å; T173-N265 WeakPolarHBondContact CG2-ND2 3.36Å; T173-N265 WeakPolarHBondContact CG2-OD1 3.26Å; T173-N265 PolarHBondContact OG1-OD1 2.87Å |
| 174 | A | 63.6 | Low | 76.6 | Confident | 107 Ų | 107 | 77.6 Ų | 77.6 | 88% | 0.884 | 42% | 0.419 | S | S | * | . | trans | -81.9 | 31.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 175 | G | 65.2 | Low | 76.7 | Confident | 19 Ų | 19 | 75 Ų | 75 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -120.2 | 158.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T173 F177 | T173-G175 PolarHBondContact O-N 3.43Å; T173-G175 VanDerWaalsContact O-N 3.11Å; G175-F177 PolarHBondContact O-N 3.14Å |
| 176 | P | 62.4 | Low | 76.9 | Confident | 130 Ų | 130 | 74 Ų | 74 | 84% | 0.844 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 121.5 | 174.2 | 27 | -32.3 | 0 | 0 | 0 | 109.4 | ||
| 177 | F | 66.3 | Low | 77.3 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 30% | 0.298 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 145.2 | 172 | -60 | -75.2 | 0 | 0 | 0 | 109.6 | P171 T173 G175 Y181 | P171-F177 HydrophobicContact CB-CE2 4.34Å; T173-F177 HydrophobicContact CG2-CE1 3.91Å; T173-F177 HydrophobicContact CG2-CZ 3.92Å; T173-F177 WeakPolarHBondContact O-CZ 3.48Å; G175-F177 PolarHBondContact O-N 3.14Å; F177-Y181 HydrophobicContact CB-CD1 3.94Å; F177-Y181 HydrophobicContact CB-CG 4.32Å; F177-Y181 AromaticContact CD1-CD1 3.26Å; F177-Y181 HydrophobicContact CD1-CD1 3.26Å; F177-Y181 AromaticContact CD1-CE1 3.32Å; F177-Y181 HydrophobicContact CD1-CE1 3.32Å; F177-Y181 HydrophobicContact CD1-CG 4.12Å; F177-Y181 AromaticContact CE1-CD1 3.91Å; F177-Y181 HydrophobicContact CE1-CD1 3.91Å; F177-Y181 AromaticContact CE1-CE1 3.48Å; F177-Y181 HydrophobicContact CE1-CE1 3.48Å; F177-Y181 VanDerWaalsContact CE1-CE1 3.48Å; F177-Y181 AromaticContact CG-CD1 3.74Å; F177-Y181 HydrophobicContact CG-CD1 3.74Å; F177-Y181 HydrophobicContact CG-CE1 4.2Å; F177-Y181 HydrophobicContact CZ-CE1 4.46Å |
| 178 | P | 71.6 | Confident | 77.7 | Confident | 86 Ų | 86 | 79 Ų | 79 | 56% | 0.558 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 141.7 | 161.5 | -21.5 | 31.6 | 0 | 0 | 0 | 109.5 | D180 Y181 | P178-D180 PolarHBondContact O-N 2.92Å; P178-D180 VanDerWaalsContact O-N 3.08Å; P178-Y181 WeakPolarHBondContact O-CB 3.46Å; P178-Y181 PolarHBondContact O-N 2.87Å |
| 179 | P | 65.9 | Low | 78.3 | Confident | 112 Ų | 112 | 82.1 Ų | 82.1 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -30 | -176.3 | 21.8 | -32.6 | 0 | 0 | 0 | 112.8 | Y181 | P179-Y181 VanDerWaalsContact C-N 3.34Å; P179-Y181 PolarHBondContact O-N 3.33Å |
| 180 | D | 76.4 | Confident | 78.9 | Confident | 106 Ų | 106 | 78.2 Ų | 78.2 | 57% | 0.567 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.7 | -177.8 | -53.6 | -32.3 | 0 | 0 | 0 | 114 | P178 L182 I183 R184 | P178-D180 PolarHBondContact O-N 2.92Å; P178-D180 VanDerWaalsContact O-N 3.08Å; D180-L182 VanDerWaalsContact C-N 3.31Å; D180-L182 PolarHBondContact O-N 3.06Å; D180-I183 PolarHBondContact O-N 3.36Å; D180-I183 VanDerWaalsContact O-N 3.12Å; D180-R184 WeakPolarHBondContact O-CB 3.37Å; D180-R184 PolarHBondContact O-N 3.49Å |
| 181 | Y | 78.1 | Confident | 79.5 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 30% | 0.302 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -35.3 | -171.1 | 179.1 | -117 | 0 | 0 | 0 | 113.4 | F177 P178 P179 R233 | F177-Y181 HydrophobicContact CB-CD1 3.94Å; F177-Y181 HydrophobicContact CB-CG 4.32Å; F177-Y181 AromaticContact CD1-CD1 3.26Å; F177-Y181 HydrophobicContact CD1-CD1 3.26Å; F177-Y181 AromaticContact CD1-CE1 3.32Å; F177-Y181 HydrophobicContact CD1-CE1 3.32Å; F177-Y181 HydrophobicContact CD1-CG 4.12Å; F177-Y181 AromaticContact CE1-CD1 3.91Å; F177-Y181 HydrophobicContact CE1-CD1 3.91Å; F177-Y181 AromaticContact CE1-CE1 3.48Å; F177-Y181 HydrophobicContact CE1-CE1 3.48Å; F177-Y181 VanDerWaalsContact CE1-CE1 3.48Å; F177-Y181 AromaticContact CG-CD1 3.74Å; F177-Y181 HydrophobicContact CG-CD1 3.74Å; F177-Y181 HydrophobicContact CG-CE1 4.2Å; F177-Y181 HydrophobicContact CZ-CE1 4.46Å; P178-Y181 WeakPolarHBondContact O-CB 3.46Å; P178-Y181 PolarHBondContact O-N 2.87Å; P179-Y181 VanDerWaalsContact C-N 3.34Å; P179-Y181 PolarHBondContact O-N 3.33Å; Y181-R233 WeakPolarHBondContact OH-CD 3.47Å; Y181-R233 PolarHBondContact OH-NE 2.98Å; Y181-R233 VanDerWaalsContact OH-NE 3.1Å; Y181-R233 PolarHBondContact OH-NH1 2.94Å |
| 182 | L | 81.6 | Confident | 80.4 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -9.4 | 178.5 | -61.2 | -176.4 | 0 | 0 | 0 | 112.6 | E167 Q168 D180 P229 E230 | E167-L182 HydrophobicContact CB-CD2 4.26Å; Q168-L182 HydrophobicContact CG-CD1 3.43Å; Q168-L182 VanDerWaalsContact CG-CD1 3.43Å; D180-L182 VanDerWaalsContact C-N 3.31Å; D180-L182 PolarHBondContact O-N 3.06Å; L182-P229 WeakPolarHBondContact O-CB 3.37Å; L182-E230 HydrophobicContact CB-CG 4.17Å; L182-E230 VanDerWaalsContact O-CG 3.25Å; L182-E230 WeakPolarHBondContact O-CG 3.2Å |
| 183 | I | 82.8 | Confident | 81.3 | Confident | 124 Ų | 124 | 75.1 Ų | 75.1 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -35.5 | -179.6 | -57 | 175.3 | 0 | 0 | 0 | 110.5 | D180 | D180-I183 PolarHBondContact O-N 3.36Å; D180-I183 VanDerWaalsContact O-N 3.12Å |
| 184 | R | 86.5 | Confident | 82.3 | Confident | 177 Ų | 177 | 75.3 Ų | 75.3 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -89.9 | 126.7 | -172 | -178.5 | 173.4 | 174 | -100.3 | -1.4 | 112.7 | D180 | D180-R184 WeakPolarHBondContact O-CB 3.37Å; D180-R184 PolarHBondContact O-N 3.49Å |
| 185 | D | 91.5 | Very high | 83.7 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -53 | 127.3 | 170.5 | -68.3 | -9 | 0 | 0 | 0 | 111.4 | I150 R153 R156 P229 | I150-D185 HydrophobicContact CG2-CB 4.21Å; R153-D185 IonicContact CZ-OD1 2.88Å; R153-D185 VanDerWaalsContact CZ-OD1 3.3Å; R153-D185 IonicContact CZ-OD2 2.88Å; R153-D185 IonicContact NH1-OD1 3.92Å; R153-D185 PolarHBondContact NH1-OD1 3.28Å; R153-D185 IonicContact NH1-OD2 3.46Å; R153-D185 PolarHBondContact NH1-OD2 3.21Å; R153-D185 IonicContact NH2-OD1 3.26Å; R153-D185 PolarHBondContact NH2-OD1 3.44Å; R153-D185 IonicContact NH2-OD2 3.6Å; R156-D185 IonicContact CZ-OD2 2.93Å; R156-D185 VanDerWaalsContact CZ-OD2 3.28Å; R156-D185 IonicContact NH1-OD2 2.89Å; R156-D185 PolarHBondContact NH1-OD2 3.02Å; R156-D185 IonicContact NH2-OD2 3.3Å; R156-D185 PolarHBondContact NH2-OD2 3.04Å; D185-P229 WeakPolarHBondContact OD1-CG 3.21Å |
| 186 | P | 91.7 | Very high | 85 | Confident | 14 Ų | 14 | 75 Ų | 75 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 142.1 | 179.4 | 30.7 | -37.7 | 0 | 0 | 0 | 111.4 | I150 T190 I191 W232 | I150-P186 HydrophobicContact CD1-CG 3.63Å; P186-T190 HydrophobicContact CB-CG2 4.41Å; P186-I191 HydrophobicContact CB-CD1 4.43Å; P186-I191 HydrophobicContact CB-CG1 4.11Å; P186-I191 HydrophobicContact CG-CD1 4.02Å; P186-I191 HydrophobicContact CG-CG1 4.04Å; P186-W232 HydrophobicContact CB-CZ2 4Å; P186-W232 HydrophobicContact CG-CD2 4.24Å; P186-W232 HydrophobicContact CG-CG 4.42Å; P186-W232 HydrophobicContact CG-CZ2 4.17Å |
| 187 | D | 92.3 | Very high | 86.3 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 153.8 | 170.2 | -175.5 | 31.2 | 0 | 0 | 0 | 111 | R189 T190 I191 | D187-R189 PolarHBondContact O-N 3.15Å; D187-R189 VanDerWaalsContact O-N 3.08Å; D187-R189 WeakPolarHBondContact OD2-CG 3.06Å; D187-T190 WeakPolarHBondContact O-CB 3.38Å; D187-T190 PolarHBondContact O-N 3.18Å; D187-I191 PolarHBondContact O-N 2.84Å; D187-I191 VanDerWaalsContact O-N 3.15Å |
| 188 | H | 93.6 | Very high | 87.4 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 33% | 0.329 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.3 | -29.9 | 178 | 67.2 | -94.7 | 0 | 0 | 0 | 112.3 | L144 Y147 Y192 | L144-H188 HydrophobicContact CD2-CB 4.15Å; Y147-H188 HydrophobicContact CD1-CB 4.36Å; Y147-H188 HydrophobicContact CD2-CB 4.07Å; Y147-H188 HydrophobicContact CG-CB 3.89Å; H188-Y192 WeakPolarHBondContact O-CB 3.29Å; H188-Y192 PolarHBondContact O-N 3.36Å |
| 189 | R | 93.8 | Very high | 88.3 | Confident | 175 Ų | 175 | 62.7 Ų | 62.7 | 66% | 0.66 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.7 | -40.6 | 175.5 | -63.3 | -177.2 | 178.2 | -174.5 | 1 | 112.3 | D187 Y192 R193 | D187-R189 PolarHBondContact O-N 3.15Å; D187-R189 VanDerWaalsContact O-N 3.08Å; D187-R189 WeakPolarHBondContact OD2-CG 3.06Å; R189-Y192 PolarHBondContact O-N 2.94Å; R189-R193 VanDerWaalsContact O-CG 3.29Å; R189-R193 WeakPolarHBondContact O-CG 3.37Å; R189-R193 PolarHBondContact O-N 3.34Å |
| 190 | T | 91.8 | Very high | 89.3 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65 | -46 | 177.3 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | P186 D187 R193 F194 W232 | P186-T190 HydrophobicContact CB-CG2 4.41Å; D187-T190 WeakPolarHBondContact O-CB 3.38Å; D187-T190 PolarHBondContact O-N 3.18Å; T190-R193 PolarHBondContact O-N 2.85Å; T190-F194 PolarHBondContact O-N 3.08Å; T190-F194 VanDerWaalsContact O-N 3.08Å; T190-W232 HydrophobicContact CG2-CZ2 4.42Å |
| 191 | I | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 175.7 | -61.2 | 162 | 0 | 0 | 0 | 110.1 | I146 Y147 I150 P186 D187 R193 F194 V195 W232 | I146-I191 HydrophobicContact CB-CG2 3.93Å; I146-I191 HydrophobicContact CD1-CG2 3.98Å; I146-I191 HydrophobicContact CG2-CD1 3.93Å; I146-I191 HydrophobicContact CG2-CG1 4.3Å; I146-I191 HydrophobicContact CG2-CG2 3.71Å; Y147-I191 HydrophobicContact CD2-CD1 4.34Å; I150-I191 HydrophobicContact CD1-CD1 4.23Å; P186-I191 HydrophobicContact CB-CD1 4.43Å; P186-I191 HydrophobicContact CB-CG1 4.11Å; P186-I191 HydrophobicContact CG-CD1 4.02Å; P186-I191 HydrophobicContact CG-CG1 4.04Å; D187-I191 PolarHBondContact O-N 2.84Å; D187-I191 VanDerWaalsContact O-N 3.15Å; I191-R193 VanDerWaalsContact C-N 3.31Å; I191-R193 PolarHBondContact O-N 3.43Å; I191-F194 PolarHBondContact O-N 2.93Å; I191-V195 HydrophobicContact CG2-CG2 4.16Å; I191-V195 WeakPolarHBondContact O-CG2 3.26Å; I191-V195 PolarHBondContact O-N 2.92Å; I191-W232 HydrophobicContact CB-CH2 4.42Å; I191-W232 HydrophobicContact CB-CZ3 4.14Å; I191-W232 HydrophobicContact CG1-CE3 4.16Å; I191-W232 HydrophobicContact CG1-CH2 4Å; I191-W232 HydrophobicContact CG1-CZ2 4.46Å; I191-W232 HydrophobicContact CG1-CZ3 3.84Å; I191-W232 HydrophobicContact CG2-CZ3 4.07Å |
| 192 | Y | 95.6 | Very high | 90 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 178.7 | 174.5 | -100.6 | 0 | 0 | 0 | 112.9 | V139 K140 S143 H188 R189 R196 | V139-Y192 HydrophobicContact CB-CE2 4.28Å; V139-Y192 HydrophobicContact CG1-CD2 3.83Å; V139-Y192 HydrophobicContact CG1-CE2 3.62Å; K140-Y192 HydrophobicContact CG-CD2 4.03Å; K140-Y192 HydrophobicContact CG-CE2 3.64Å; S143-Y192 WeakPolarHBondContact OG-CA 3.19Å; H188-Y192 WeakPolarHBondContact O-CB 3.29Å; H188-Y192 PolarHBondContact O-N 3.36Å; R189-Y192 PolarHBondContact O-N 2.94Å; Y192-R196 WeakPolarHBondContact O-CB 3.45Å; Y192-R196 PolarHBondContact O-N 3.36Å |
| 193 | R | 91.5 | Very high | 90.3 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 22% | 0.223 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 176.2 | -75.4 | 177 | 58.3 | -127.1 | -9 | 111.2 | R189 T190 I191 V195 R196 T197 D268 | R189-R193 VanDerWaalsContact O-CG 3.29Å; R189-R193 WeakPolarHBondContact O-CG 3.37Å; R189-R193 PolarHBondContact O-N 3.34Å; T190-R193 PolarHBondContact O-N 2.85Å; I191-R193 VanDerWaalsContact C-N 3.31Å; I191-R193 PolarHBondContact O-N 3.43Å; R193-V195 PolarHBondContact O-N 2.86Å; R193-R196 PolarHBondContact O-N 2.9Å; R193-T197 WeakPolarHBondContact O-CB 3.27Å; R193-T197 PolarHBondContact O-N 3.32Å; R193-T197 PolarHBondContact O-OG1 3.48Å; R193-D268 IonicContact CZ-OD1 3.08Å; R193-D268 IonicContact NE-OD1 3.62Å; R193-D268 VanDerWaalsContact NH2-C 3.31Å; R193-D268 PolarHBondContact NH2-O 2.8Å; R193-D268 IonicContact NH2-OD1 3.71Å; R193-D268 PolarHBondContact NH2-OD1 2.98Å |
| 194 | F | 91.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 11% | 0.114 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.4 | -52.8 | 178.5 | -178.9 | -106.1 | 0 | 0 | 0 | 112.2 | T190 I191 R196 T197 L198 W232 R233 V236 L237 | T190-F194 PolarHBondContact O-N 3.08Å; T190-F194 VanDerWaalsContact O-N 3.08Å; I191-F194 PolarHBondContact O-N 2.93Å; F194-R196 PolarHBondContact O-N 2.86Å; F194-T197 PolarHBondContact O-N 3.4Å; F194-L198 HydrophobicContact CD1-CD1 3.98Å; F194-L198 HydrophobicContact CE1-CD1 3.5Å; F194-L198 VanDerWaalsContact CE1-CD1 3.5Å; F194-L198 HydrophobicContact CE2-CD1 4.28Å; F194-L198 HydrophobicContact CZ-CD1 3.67Å; F194-L198 HydrophobicContact CZ-CG 4.49Å; F194-L198 WeakPolarHBondContact O-CG 3.25Å; F194-L198 PolarHBondContact O-N 2.91Å; F194-L198 VanDerWaalsContact O-N 3.1Å; F194-W232 HydrophobicContact CB-CH2 3.95Å; F194-W232 HydrophobicContact CB-CZ3 4.16Å; F194-W232 HydrophobicContact CD1-CH2 4.16Å; F194-W232 AromaticContact CD1-CZ3 3.7Å; F194-W232 HydrophobicContact CD1-CZ3 3.7Å; F194-W232 HydrophobicContact CE1-CZ3 4.4Å; F194-W232 HydrophobicContact CG-CH2 4.11Å; F194-W232 HydrophobicContact CG-CZ3 4.12Å; F194-R233 HydrophobicContact CD1-CG 4.41Å; F194-R233 HydrophobicContact CD2-CG 4.5Å; F194-R233 HydrophobicContact CE1-CB 3.96Å; F194-R233 HydrophobicContact CE1-CG 4.18Å; F194-R233 HydrophobicContact CE2-CB 4.25Å; F194-R233 HydrophobicContact CE2-CG 4.28Å; F194-R233 HydrophobicContact CZ-CB 3.72Å; F194-R233 HydrophobicContact CZ-CG 4.11Å; F194-V236 HydrophobicContact CD1-CG1 4.22Å; F194-V236 HydrophobicContact CE1-CB 4.24Å; F194-V236 HydrophobicContact CE1-CG1 3.95Å; F194-L237 HydrophobicContact CZ-CB 4.45Å |
| 195 | V | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 179.4 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | V139 I142 I146 I191 R193 T197 L198 F199 V236 | V139-V195 HydrophobicContact CG1-CB 4.33Å; V139-V195 HydrophobicContact CG1-CG1 3.94Å; I142-V195 HydrophobicContact CG2-CG1 4.23Å; I146-V195 HydrophobicContact CD1-CG2 4.07Å; I191-V195 HydrophobicContact CG2-CG2 4.16Å; I191-V195 WeakPolarHBondContact O-CG2 3.26Å; I191-V195 PolarHBondContact O-N 2.92Å; R193-V195 PolarHBondContact O-N 2.86Å; V195-T197 VanDerWaalsContact C-N 3.3Å; V195-T197 PolarHBondContact O-N 3.44Å; V195-L198 PolarHBondContact O-N 3.18Å; V195-F199 HydrophobicContact CG1-CD2 3.67Å; V195-F199 HydrophobicContact CG1-CE2 3.71Å; V195-F199 VanDerWaalsContact O-CD2 3.25Å; V195-F199 WeakPolarHBondContact O-CD2 3.46Å; V195-F199 PolarHBondContact O-N 3.48Å; V195-V236 HydrophobicContact CG2-CG1 4.03Å |
| 196 | R | 92.7 | Very high | 90.9 | Very high | 120 Ų | 120 | 50 Ų | 50 | 45% | 0.453 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 178.6 | -176.4 | -166.4 | 70.4 | 117.7 | 4.6 | 111.7 | V139 Y192 R193 F194 F199 A200 | V139-R196 HydrophobicContact CG1-CB 4.11Å; Y192-R196 WeakPolarHBondContact O-CB 3.45Å; Y192-R196 PolarHBondContact O-N 3.36Å; R193-R196 PolarHBondContact O-N 2.9Å; F194-R196 PolarHBondContact O-N 2.86Å; R196-F199 PolarHBondContact O-N 3.26Å; R196-A200 VanDerWaalsContact O-CB 3.26Å; R196-A200 WeakPolarHBondContact O-CB 3.29Å; R196-A200 PolarHBondContact O-N 3.31Å |
| 197 | T | 88.1 | Confident | 90.8 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | -179.1 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | R193 F194 V195 A200 A201 C264 D268 | R193-T197 WeakPolarHBondContact O-CB 3.27Å; R193-T197 PolarHBondContact O-N 3.32Å; R193-T197 PolarHBondContact O-OG1 3.48Å; F194-T197 PolarHBondContact O-N 3.4Å; V195-T197 VanDerWaalsContact C-N 3.3Å; V195-T197 PolarHBondContact O-N 3.44Å; T197-A200 PolarHBondContact O-N 3.48Å; T197-A201 VanDerWaalsContact O-CB 3.24Å; T197-A201 WeakPolarHBondContact O-CB 3.24Å; T197-A201 PolarHBondContact O-N 3.33Å; T197-C264 HydrophobicContact CG2-CB 3.93Å; T197-C264 VanDerWaalsContact CG2-SG 3.6Å; T197-D268 WeakPolarHBondContact CB-OD2 3.33Å; T197-D268 PolarHBondContact OG1-OD2 3.31Å |
| 198 | L | 90 | Very high | 90.8 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -48.1 | 173.3 | -68.9 | 173.6 | 0 | 0 | 0 | 112.3 | F194 V195 A200 A201 A202 L237 I240 I260 | F194-L198 HydrophobicContact CD1-CD1 3.98Å; F194-L198 HydrophobicContact CE1-CD1 3.5Å; F194-L198 VanDerWaalsContact CE1-CD1 3.5Å; F194-L198 HydrophobicContact CE2-CD1 4.28Å; F194-L198 HydrophobicContact CZ-CD1 3.67Å; F194-L198 HydrophobicContact CZ-CG 4.49Å; F194-L198 WeakPolarHBondContact O-CG 3.25Å; F194-L198 PolarHBondContact O-N 2.91Å; F194-L198 VanDerWaalsContact O-N 3.1Å; V195-L198 PolarHBondContact O-N 3.18Å; L198-A200 VanDerWaalsContact C-N 3.32Å; L198-A200 PolarHBondContact O-N 2.93Å; L198-A201 PolarHBondContact O-N 3.45Å; L198-A202 WeakPolarHBondContact O-CB 3.42Å; L198-A202 PolarHBondContact O-N 2.9Å; L198-L237 HydrophobicContact CD1-CD1 4.18Å; L198-L237 HydrophobicContact CD2-CD1 3.84Å; L198-I240 HydrophobicContact CB-CD1 4.19Å; L198-I240 HydrophobicContact CD1-CD1 3.63Å; L198-I260 HydrophobicContact CD2-CG2 3.99Å |
| 199 | F | 90.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 178.8 | -89 | -107.7 | 0 | 0 | 0 | 112.3 | L135 V139 I142 V195 R196 Q203 L204 G209 I240 | L135-F199 HydrophobicContact CD1-CD1 3.8Å; L135-F199 HydrophobicContact CD1-CE1 4.3Å; V139-F199 HydrophobicContact CG2-CB 4.38Å; V139-F199 HydrophobicContact CG2-CD1 4.06Å; V139-F199 HydrophobicContact CG2-CG 4.06Å; I142-F199 HydrophobicContact CD1-CZ 4.19Å; V195-F199 HydrophobicContact CG1-CD2 3.67Å; V195-F199 HydrophobicContact CG1-CE2 3.71Å; V195-F199 VanDerWaalsContact O-CD2 3.25Å; V195-F199 WeakPolarHBondContact O-CD2 3.46Å; V195-F199 PolarHBondContact O-N 3.48Å; R196-F199 PolarHBondContact O-N 3.26Å; F199-Q203 WeakPolarHBondContact O-CA 3.5Å; F199-Q203 PolarHBondContact O-N 3.1Å; F199-L204 HydrophobicContact CD1-CB 3.56Å; F199-L204 HydrophobicContact CD1-CD1 4.36Å; F199-L204 HydrophobicContact CD2-CD1 4.32Å; F199-L204 HydrophobicContact CE1-CB 3.82Å; F199-L204 HydrophobicContact CE1-CD1 4.35Å; F199-L204 HydrophobicContact CE2-CD1 4.32Å; F199-L204 HydrophobicContact CG-CB 4.14Å; F199-L204 HydrophobicContact CG-CD1 4.34Å; F199-L204 HydrophobicContact CZ-CD1 4.3Å; F199-L204 PolarHBondContact O-N 3.35Å; F199-G209 VanDerWaalsContact CZ-CA 3.48Å; F199-I240 HydrophobicContact CD2-CD1 4.28Å; F199-I240 HydrophobicContact CE2-CD1 3.8Å; F199-I240 HydrophobicContact CE2-CG1 4.03Å |
| 200 | A | 87.9 | Confident | 90.9 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 60% | 0.595 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.6 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R196 T197 L198 Q203 | R196-A200 VanDerWaalsContact O-CB 3.26Å; R196-A200 WeakPolarHBondContact O-CB 3.29Å; R196-A200 PolarHBondContact O-N 3.31Å; T197-A200 PolarHBondContact O-N 3.48Å; L198-A200 VanDerWaalsContact C-N 3.32Å; L198-A200 PolarHBondContact O-N 2.93Å; A200-Q203 PolarHBondContact O-N 2.92Å |
| 201 | A | 84.3 | Confident | 91 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.9 | -38.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T197 L198 I260 | T197-A201 VanDerWaalsContact O-CB 3.24Å; T197-A201 WeakPolarHBondContact O-CB 3.24Å; T197-A201 PolarHBondContact O-N 3.33Å; L198-A201 PolarHBondContact O-N 3.45Å; A201-I260 HydrophobicContact CB-CB 4.41Å; A201-I260 HydrophobicContact CB-CG1 4.19Å; A201-I260 HydrophobicContact CB-CG2 3.82Å |
| 202 | A | 84.5 | Confident | 91 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L198 L204 W253 I260 | L198-A202 WeakPolarHBondContact O-CB 3.42Å; L198-A202 PolarHBondContact O-N 2.9Å; A202-L204 HydrophobicContact CB-CD1 4.08Å; A202-L204 HydrophobicContact CB-CD2 3.96Å; A202-L204 HydrophobicContact CB-CG 3.71Å; A202-L204 PolarHBondContact O-N 3.42Å; A202-W253 HydrophobicContact CB-CZ3 4.28Å; A202-I260 HydrophobicContact CB-CD1 4.13Å |
| 203 | Q | 86.8 | Confident | 91 | Very high | 176 Ų | 176 | 40.9 Ų | 40.9 | 82% | 0.822 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 40.1 | -179.9 | -59.8 | -174.2 | -32.9 | 0 | 0 | 114 | F199 A200 | F199-Q203 WeakPolarHBondContact O-CA 3.5Å; F199-Q203 PolarHBondContact O-N 3.1Å; A200-Q203 PolarHBondContact O-N 2.92Å |
| 204 | L | 88.9 | Confident | 91.3 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | trans | -78 | 147 | -173.1 | -58.5 | 177.3 | 0 | 0 | 0 | 112.3 | F199 A202 C208 I240 W253 | F199-L204 HydrophobicContact CD1-CB 3.56Å; F199-L204 HydrophobicContact CD1-CD1 4.36Å; F199-L204 HydrophobicContact CD2-CD1 4.32Å; F199-L204 HydrophobicContact CE1-CB 3.82Å; F199-L204 HydrophobicContact CE1-CD1 4.35Å; F199-L204 HydrophobicContact CE2-CD1 4.32Å; F199-L204 HydrophobicContact CG-CB 4.14Å; F199-L204 HydrophobicContact CG-CD1 4.34Å; F199-L204 HydrophobicContact CZ-CD1 4.3Å; F199-L204 PolarHBondContact O-N 3.35Å; A202-L204 HydrophobicContact CB-CD1 4.08Å; A202-L204 HydrophobicContact CB-CD2 3.96Å; A202-L204 HydrophobicContact CB-CG 3.71Å; A202-L204 PolarHBondContact O-N 3.42Å; L204-C208 HydrophobicContact CB-CB 4.31Å; L204-I240 HydrophobicContact CD1-CG2 3.41Å; L204-I240 VanDerWaalsContact CD1-CG2 3.41Å; L204-W253 HydrophobicContact CD2-CH2 4.4Å | ||
| 205 | T | 91.4 | Very high | 91.5 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | trans | -87.2 | 171.1 | 177.6 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | E207 C208 G209 | T205-E207 VanDerWaalsContact C-N 3.31Å; T205-E207 WeakPolarHBondContact CB-OE2 3.41Å; T205-E207 PolarHBondContact O-N 3.47Å; T205-E207 PolarHBondContact OG1-OE2 3.39Å; T205-C208 WeakPolarHBondContact O-CB 3.07Å; T205-C208 PolarHBondContact O-N 3.44Å; T205-G209 PolarHBondContact O-N 3.26Å | ||
| 206 | A | 92.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -34 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P133 L135 T138 G209 I210 | P133-A206 HydrophobicContact CB-CB 3.64Å; P133-A206 HydrophobicContact CG-CB 3.74Å; L135-A206 HydrophobicContact CB-CB 4.43Å; L135-A206 HydrophobicContact CD1-CB 4.38Å; T138-A206 HydrophobicContact CG2-CB 4.37Å; T138-A206 WeakPolarHBondContact CG2-O 3.25Å; A206-G209 WeakPolarHBondContact O-CA 3.19Å; A206-G209 PolarHBondContact O-N 3.4Å; A206-I210 PolarHBondContact O-N 2.94Å |
| 207 | E | 91.4 | Very high | 91.8 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 29% | 0.29 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 176.5 | -57 | 83.5 | 175.5 | 0 | 0 | 110.9 | P133 T205 G209 I210 I211 W247 | P133-E207 HydrophobicContact CG-CG 4.43Å; P133-E207 VanDerWaalsContact CG-OE1 3.32Å; P133-E207 WeakPolarHBondContact CG-OE1 3.24Å; T205-E207 VanDerWaalsContact C-N 3.31Å; T205-E207 WeakPolarHBondContact CB-OE2 3.41Å; T205-E207 PolarHBondContact O-N 3.47Å; T205-E207 PolarHBondContact OG1-OE2 3.39Å; E207-G209 PolarHBondContact O-N 3.41Å; E207-I210 PolarHBondContact O-N 3.03Å; E207-I211 WeakPolarHBondContact O-CG1 3.21Å; E207-I211 PolarHBondContact O-N 3.42Å; E207-W247 HydrophobicContact CB-CD2 4.37Å; E207-W247 HydrophobicContact CB-CH2 3.99Å; E207-W247 HydrophobicContact CB-CZ2 3.39Å; E207-W247 HydrophobicContact CG-CH2 4.25Å; E207-W247 HydrophobicContact CG-CZ2 3.67Å |
| 208 | C | 92.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.3 | -34.1 | 173.1 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | L204 T205 T212 | L204-C208 HydrophobicContact CB-CB 4.31Å; T205-C208 WeakPolarHBondContact O-CB 3.07Å; T205-C208 PolarHBondContact O-N 3.44Å; C208-T212 WeakPolarHBondContact O-CB 3.42Å; C208-T212 PolarHBondContact O-N 3.39Å; C208-T212 PolarHBondContact O-OG1 3.4Å |
| 209 | G | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I142 F199 T205 A206 E207 I211 T212 L213 | I142-G209 VanDerWaalsContact CD1-O 3.26Å; I142-G209 WeakPolarHBondContact CD1-O 3.3Å; F199-G209 VanDerWaalsContact CZ-CA 3.48Å; T205-G209 PolarHBondContact O-N 3.26Å; A206-G209 WeakPolarHBondContact O-CA 3.19Å; A206-G209 PolarHBondContact O-N 3.4Å; E207-G209 PolarHBondContact O-N 3.41Å; G209-I211 VanDerWaalsContact C-N 3.35Å; G209-T212 WeakPolarHBondContact O-CB 3.28Å; G209-T212 PolarHBondContact O-N 2.78Å; G209-L213 PolarHBondContact O-N 3.02Å |
| 210 | I | 94.3 | Very high | 92.5 | Very high | 96 Ų | 96 | 50 Ų | 50 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.7 | -61.5 | 169.7 | 0 | 0 | 0 | 109.6 | T138 A206 E207 T212 L213 V214 | T138-I210 HydrophobicContact CG2-CG1 4.29Å; A206-I210 PolarHBondContact O-N 2.94Å; E207-I210 PolarHBondContact O-N 3.03Å; I210-T212 VanDerWaalsContact C-N 3.33Å; I210-T212 PolarHBondContact O-N 3.41Å; I210-L213 PolarHBondContact O-N 2.87Å; I210-V214 WeakPolarHBondContact O-CG2 3.29Å; I210-V214 PolarHBondContact O-N 3.38Å; I210-V214 VanDerWaalsContact O-N 3.13Å |
| 211 | I | 94.2 | Very high | 92.8 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 19% | 0.185 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 178.4 | -63.2 | 166.1 | 0 | 0 | 0 | 111.3 | E207 G209 L213 V214 Y215 A243 W247 | E207-I211 WeakPolarHBondContact O-CG1 3.21Å; E207-I211 PolarHBondContact O-N 3.42Å; G209-I211 VanDerWaalsContact C-N 3.35Å; I211-L213 VanDerWaalsContact C-N 3.31Å; I211-L213 PolarHBondContact O-N 3.43Å; I211-V214 WeakPolarHBondContact O-CB 3.45Å; I211-V214 PolarHBondContact O-N 3.24Å; I211-Y215 HydrophobicContact CG2-CD2 4.05Å; I211-Y215 HydrophobicContact CG2-CE1 4.45Å; I211-Y215 HydrophobicContact CG2-CE2 3.69Å; I211-Y215 PolarHBondContact O-N 2.94Å; I211-A243 HydrophobicContact CB-CB 4.16Å; I211-A243 HydrophobicContact CG2-CB 3.78Å; I211-W247 HydrophobicContact CD1-CB 4.06Å; I211-W247 HydrophobicContact CD1-CD2 3.75Å; I211-W247 HydrophobicContact CD1-CE3 3.3Å; I211-W247 HydrophobicContact CD1-CG 4.08Å; I211-W247 HydrophobicContact CD1-CZ3 3.99Å |
| 212 | T | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55 | -47.7 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | C208 G209 I210 V214 Y215 I216 A239 I240 A243 | C208-T212 WeakPolarHBondContact O-CB 3.42Å; C208-T212 PolarHBondContact O-N 3.39Å; C208-T212 PolarHBondContact O-OG1 3.4Å; G209-T212 WeakPolarHBondContact O-CB 3.28Å; G209-T212 PolarHBondContact O-N 2.78Å; I210-T212 VanDerWaalsContact C-N 3.33Å; I210-T212 PolarHBondContact O-N 3.41Å; T212-V214 VanDerWaalsContact C-N 3.35Å; T212-V214 PolarHBondContact O-N 3.39Å; T212-Y215 PolarHBondContact O-N 2.93Å; T212-I216 HydrophobicContact CG2-CD1 4.09Å; T212-I216 WeakPolarHBondContact O-CG1 3.29Å; T212-I216 PolarHBondContact O-N 2.86Å; T212-A239 HydrophobicContact CG2-CB 4.04Å; T212-I240 HydrophobicContact CG2-CB 4.45Å; T212-I240 HydrophobicContact CG2-CD1 4.49Å; T212-I240 HydrophobicContact CG2-CG1 3.46Å; T212-I240 VanDerWaalsContact CG2-CG1 3.46Å; T212-A243 WeakPolarHBondContact OG1-CB 3.25Å |
| 213 | L | 95.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | -180 | -175.8 | 60.6 | 0 | 0 | 0 | 111.6 | A145 G209 I210 I211 Y215 I216 E217 | A145-L213 HydrophobicContact CB-CD1 3.59Å; A145-L213 HydrophobicContact CB-CD2 4.14Å; G209-L213 PolarHBondContact O-N 3.02Å; I210-L213 PolarHBondContact O-N 2.87Å; I211-L213 VanDerWaalsContact C-N 3.31Å; I211-L213 PolarHBondContact O-N 3.43Å; L213-Y215 VanDerWaalsContact C-N 3.31Å; L213-Y215 PolarHBondContact O-N 3.26Å; L213-I216 PolarHBondContact O-N 3.13Å; L213-E217 PolarHBondContact O-N 3.48Å |
| 214 | V | 95.9 | Very high | 93.8 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | I210 I211 T212 E217 R218 | I210-V214 WeakPolarHBondContact O-CG2 3.29Å; I210-V214 PolarHBondContact O-N 3.38Å; I210-V214 VanDerWaalsContact O-N 3.13Å; I211-V214 WeakPolarHBondContact O-CB 3.45Å; I211-V214 PolarHBondContact O-N 3.24Å; T212-V214 VanDerWaalsContact C-N 3.35Å; T212-V214 PolarHBondContact O-N 3.39Å; V214-E217 PolarHBondContact O-N 3.29Å; V214-R218 HydrophobicContact CG1-CG 4.37Å; V214-R218 WeakPolarHBondContact O-CB 3.35Å; V214-R218 WeakPolarHBondContact O-CG 3.18Å; V214-R218 PolarHBondContact O-N 3.22Å |
| 215 | Y | 96.4 | Very high | 94 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 27% | 0.271 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 176.9 | -74.4 | -20.3 | 0 | 0 | 0 | 113.3 | I211 T212 L213 L219 L242 A243 V246 | I211-Y215 HydrophobicContact CG2-CD2 4.05Å; I211-Y215 HydrophobicContact CG2-CE1 4.45Å; I211-Y215 HydrophobicContact CG2-CE2 3.69Å; I211-Y215 PolarHBondContact O-N 2.94Å; T212-Y215 PolarHBondContact O-N 2.93Å; L213-Y215 VanDerWaalsContact C-N 3.31Å; L213-Y215 PolarHBondContact O-N 3.26Å; Y215-L219 VanDerWaalsContact O-CB 3.27Å; Y215-L219 WeakPolarHBondContact O-CB 3.47Å; Y215-L219 PolarHBondContact O-N 3.49Å; Y215-L242 HydrophobicContact CD2-CB 4.06Å; Y215-L242 HydrophobicContact CE2-CB 4.05Å; Y215-A243 HydrophobicContact CD2-CB 4.07Å; Y215-A243 HydrophobicContact CE2-CB 4.17Å; Y215-V246 WeakPolarHBondContact OH-CG2 3.17Å |
| 216 | I | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -52.2 | 174 | -66.5 | 169.3 | 0 | 0 | 0 | 109.8 | I146 T212 L213 R218 L219 L220 I235 V236 A239 | I146-I216 HydrophobicContact CD1-CD1 4.33Å; I146-I216 HydrophobicContact CG1-CD1 4.25Å; T212-I216 HydrophobicContact CG2-CD1 4.09Å; T212-I216 WeakPolarHBondContact O-CG1 3.29Å; T212-I216 PolarHBondContact O-N 2.86Å; L213-I216 PolarHBondContact O-N 3.13Å; I216-R218 VanDerWaalsContact C-N 3.31Å; I216-R218 PolarHBondContact O-N 3.35Å; I216-L219 PolarHBondContact O-N 2.96Å; I216-L219 VanDerWaalsContact O-N 3.14Å; I216-L220 HydrophobicContact CG2-CD1 3.84Å; I216-L220 HydrophobicContact CG2-CG 4.24Å; I216-L220 VanDerWaalsContact O-CG 3.3Å; I216-L220 WeakPolarHBondContact O-CG 3.45Å; I216-L220 PolarHBondContact O-N 3.47Å; I216-I235 HydrophobicContact CG1-CG2 4.35Å; I216-I235 HydrophobicContact CG2-CG2 4.46Å; I216-V236 HydrophobicContact CD1-CG2 4Å; I216-A239 HydrophobicContact CD1-CB 4.24Å; I216-A239 HydrophobicContact CG1-CB 3.58Å |
| 217 | E | 95.6 | Very high | 94.2 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | -179.3 | -72.8 | -178.2 | 174 | 0 | 0 | 112.2 | L213 V214 T221 | L213-E217 PolarHBondContact O-N 3.48Å; V214-E217 PolarHBondContact O-N 3.29Å; E217-T221 WeakPolarHBondContact O-CB 3.11Å; E217-T221 PolarHBondContact O-N 2.7Å; E217-T221 PolarHBondContact O-OG1 2.88Å |
| 218 | R | 96 | Very high | 94.2 | Very high | 130 Ų | 130 | 49.8 Ų | 49.8 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 176.5 | -72.7 | 176.1 | 70.7 | 121.2 | 1.9 | 112.2 | V214 I216 T221 Y222 | V214-R218 HydrophobicContact CG1-CG 4.37Å; V214-R218 WeakPolarHBondContact O-CB 3.35Å; V214-R218 WeakPolarHBondContact O-CG 3.18Å; V214-R218 PolarHBondContact O-N 3.22Å; I216-R218 VanDerWaalsContact C-N 3.31Å; I216-R218 PolarHBondContact O-N 3.35Å; R218-T221 PolarHBondContact O-N 2.72Å; R218-Y222 VanDerWaalsContact O-CB 3.3Å; R218-Y222 WeakPolarHBondContact O-CB 3.32Å; R218-Y222 PolarHBondContact O-N 2.93Å |
| 219 | L | 94.5 | Very high | 94.1 | Very high | 49 Ų | 49 | 50 Ų | 50 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.1 | -49.9 | 177.1 | 178.9 | 66.3 | 0 | 0 | 0 | 110.9 | F165 Y215 I216 T221 Y222 A223 I225 I235 | F165-L219 HydrophobicContact CE2-CD1 4.41Å; F165-L219 HydrophobicContact CE2-CD2 4.12Å; F165-L219 HydrophobicContact CZ-CD1 4.46Å; F165-L219 HydrophobicContact CZ-CD2 3.95Å; Y215-L219 VanDerWaalsContact O-CB 3.27Å; Y215-L219 WeakPolarHBondContact O-CB 3.47Å; Y215-L219 PolarHBondContact O-N 3.49Å; I216-L219 PolarHBondContact O-N 2.96Å; I216-L219 VanDerWaalsContact O-N 3.14Å; L219-T221 VanDerWaalsContact C-N 3.27Å; L219-T221 PolarHBondContact O-N 2.84Å; L219-Y222 PolarHBondContact O-N 3.27Å; L219-A223 HydrophobicContact CD1-CB 4Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.34Å; L219-A223 PolarHBondContact O-N 3.08Å; L219-I225 HydrophobicContact CD1-CD1 4.33Å; L219-I225 HydrophobicContact CG-CD1 4.39Å; L219-I235 HydrophobicContact CD2-CG1 4.24Å; L219-I235 HydrophobicContact CD2-CG2 3.83Å |
| 220 | L | 93.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 179.4 | -62.6 | 176.6 | 0 | 0 | 0 | 111.7 | I216 E224 I225 L227 | I216-L220 HydrophobicContact CG2-CD1 3.84Å; I216-L220 HydrophobicContact CG2-CG 4.24Å; I216-L220 VanDerWaalsContact O-CG 3.3Å; I216-L220 WeakPolarHBondContact O-CG 3.45Å; I216-L220 PolarHBondContact O-N 3.47Å; L220-E224 WeakPolarHBondContact O-CA 3.43Å; L220-E224 PolarHBondContact O-N 2.65Å; L220-I225 HydrophobicContact CD2-CB 4.32Å; L220-I225 HydrophobicContact CD2-CG2 4.35Å; L220-I225 WeakPolarHBondContact CD2-O 3.39Å; L220-I225 PolarHBondContact O-N 2.89Å; L220-L227 HydrophobicContact CD1-CB 4.4Å; L220-L227 HydrophobicContact CD1-CD1 4.36Å; L220-L227 HydrophobicContact CD2-CB 4.24Å; L220-L227 HydrophobicContact CD2-CD1 3.81Å |
| 221 | T | 93.2 | Very high | 93.8 | Very high | 98 Ų | 98 | 48.3 Ų | 48.3 | 60% | 0.601 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -74.2 | -48.1 | -179.8 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | E217 R218 L219 | E217-T221 WeakPolarHBondContact O-CB 3.11Å; E217-T221 PolarHBondContact O-N 2.7Å; E217-T221 PolarHBondContact O-OG1 2.88Å; R218-T221 PolarHBondContact O-N 2.72Å; L219-T221 VanDerWaalsContact C-N 3.27Å; L219-T221 PolarHBondContact O-N 2.84Å |
| 222 | Y | 94.7 | Very high | 93.7 | Very high | 165 Ų | 165 | 47 Ų | 47 | 65% | 0.647 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -84.8 | -35.9 | -171.4 | -66.6 | -14.3 | 0 | 0 | 0 | 113.8 | R218 L219 E224 | R218-Y222 VanDerWaalsContact O-CB 3.3Å; R218-Y222 WeakPolarHBondContact O-CB 3.32Å; R218-Y222 PolarHBondContact O-N 2.93Å; L219-Y222 PolarHBondContact O-N 3.27Å; Y222-E224 VanDerWaalsContact C-N 3.26Å |
| 223 | A | 92.3 | Very high | 93.6 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 35% | 0.347 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -87.9 | -0.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M162 L219 I225 | M162-A223 HydrophobicContact SD-CB 4.44Å; L219-A223 HydrophobicContact CD1-CB 4Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.34Å; L219-A223 PolarHBondContact O-N 3.08Å; A223-I225 HydrophobicContact CB-CD1 3.64Å; A223-I225 HydrophobicContact CB-CG1 3.74Å; A223-I225 WeakPolarHBondContact O-CG1 3.47Å; A223-I225 PolarHBondContact O-N 2.88Å |
| 224 | E | 91.4 | Very high | 93.3 | Very high | 119 Ų | 119 | 48.4 Ų | 48.4 | 56% | 0.556 | 23% | 0.231 | S | C | * | . | trans | 55.5 | 36.1 | 179.4 | -71.9 | -163.8 | 154.7 | 0 | 0 | 113 | R160 L220 Y222 | R160-E224 WeakPolarHBondContact CB-O 3.31Å; R160-E224 WeakPolarHBondContact CD-O 3.43Å; R160-E224 PolarHBondContact NE-O 2.93Å; R160-E224 VanDerWaalsContact NH1-CB 3.34Å; R160-E224 PolarHBondContact NH1-O 3.22Å; R160-E224 IonicContact NH1-OE2 3.85Å; L220-E224 WeakPolarHBondContact O-CA 3.43Å; L220-E224 PolarHBondContact O-N 2.65Å; Y222-E224 VanDerWaalsContact C-N 3.26Å | ||
| 225 | I | 92.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -95.2 | 142.3 | -178.6 | -57.8 | 173 | 0 | 0 | 0 | 109.4 | R160 M162 F165 L219 L220 A223 I235 | R160-I225 CarbonylContact O-C 3.43Å; R160-I225 WeakPolarHBondContact O-CA 3.24Å; R160-I225 WeakPolarHBondContact O-CG2 3.46Å; M162-I225 HydrophobicContact CB-CD1 4.36Å; M162-I225 HydrophobicContact CG-CD1 3.65Å; M162-I225 HydrophobicContact CG-CG1 3.96Å; M162-I225 HydrophobicContact SD-CD1 3.41Å; M162-I225 WeakPolarHBondContact SD-CD1 3.46Å; M162-I225 HydrophobicContact SD-CG1 4.11Å; F165-I225 HydrophobicContact CD2-CD1 3.97Å; F165-I225 HydrophobicContact CE2-CD1 3.81Å; L219-I225 HydrophobicContact CD1-CD1 4.33Å; L219-I225 HydrophobicContact CG-CD1 4.39Å; L220-I225 HydrophobicContact CD2-CB 4.32Å; L220-I225 HydrophobicContact CD2-CG2 4.35Å; L220-I225 WeakPolarHBondContact CD2-O 3.39Å; L220-I225 PolarHBondContact O-N 2.89Å; A223-I225 HydrophobicContact CB-CD1 3.64Å; A223-I225 HydrophobicContact CB-CG1 3.74Å; A223-I225 WeakPolarHBondContact O-CG1 3.47Å; A223-I225 PolarHBondContact O-N 2.88Å; I225-I235 HydrophobicContact CG2-CD1 4.08Å |
| 226 | D | 93.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -99.7 | 138.8 | 170.8 | -57.4 | -49.7 | 0 | 0 | 0 | 110.2 | N155 E159 R160 C228 N231 | N155-D226 PolarHBondContact ND2-OD2 3.47Å; E159-D226 HydrophobicContact CB-CB 4.35Å; R160-D226 IonicContact CZ-OD1 2.88Å; R160-D226 PolarHBondContact N-OD2 3.46Å; R160-D226 VanDerWaalsContact N-OD2 3.08Å; R160-D226 IonicContact NE-OD1 2.84Å; R160-D226 IonicContact NE-OD2 3.65Å; R160-D226 PolarHBondContact NE-OD2 2.88Å; R160-D226 IonicContact NH2-OD1 3.8Å; R160-D226 PolarHBondContact NH2-OD1 3.02Å; R160-D226 IonicContact NH2-OD2 2.91Å; R160-D226 PolarHBondContact O-N 3.44Å; D226-C228 PolarHBondContact O-N 3.05Å; D226-C228 PolarHBondContact O-SG 3.48Å; D226-N231 PolarHBondContact O-ND2 2.74Å |
| 227 | L | 94 | Very high | 92.8 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 122.9 | 178.5 | -146 | 80.4 | 0 | 0 | 0 | 110.1 | I146 H149 I150 R153 L220 W232 I235 | I146-L227 HydrophobicContact CB-CD2 4.42Å; I146-L227 HydrophobicContact CG2-CD2 3.69Å; H149-L227 HydrophobicContact CB-CB 4.26Å; H149-L227 HydrophobicContact CB-CD2 4.18Å; I150-L227 HydrophobicContact CD1-CD2 4.14Å; I150-L227 HydrophobicContact CG1-CB 4.07Å; I150-L227 HydrophobicContact CG1-CD2 3.71Å; I150-L227 HydrophobicContact CG1-CG 4.04Å; R153-L227 WeakPolarHBondContact CD-O 3.45Å; L220-L227 HydrophobicContact CD1-CB 4.4Å; L220-L227 HydrophobicContact CD1-CD1 4.36Å; L220-L227 HydrophobicContact CD2-CB 4.24Å; L220-L227 HydrophobicContact CD2-CD1 3.81Å; L227-W232 HydrophobicContact CD2-CB 4.1Å; L227-W232 HydrophobicContact CG-CB 3.98Å; L227-I235 HydrophobicContact CD1-CB 4.08Å; L227-I235 HydrophobicContact CD1-CD1 3.7Å; L227-I235 HydrophobicContact CD1-CG1 4.5Å; L227-I235 HydrophobicContact CD1-CG2 3.76Å |
| 228 | C | 92.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | trans | -133.1 | 161.8 | -168.6 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | E159 D226 E230 N231 W232 | E159-C228 WeakPolarHBondContact CB-SG 3.39Å; E159-C228 WeakPolarHBondContact CG-SG 3.21Å; D226-C228 PolarHBondContact O-N 3.05Å; D226-C228 PolarHBondContact O-SG 3.48Å; C228-E230 PolarHBondContact O-N 3.2Å; C228-E230 VanDerWaalsContact O-N 3.12Å; C228-N231 PolarHBondContact N-OD1 3.12Å; C228-N231 PolarHBondContact O-N 3.15Å; C228-N231 VanDerWaalsContact O-N 3.15Å; C228-N231 PolarHBondContact O-OD1 3.02Å; C228-W232 WeakPolarHBondContact O-CB 3.31Å; C228-W232 VanDerWaalsContact O-CD1 3.31Å; C228-W232 PolarHBondContact O-N 2.83Å | ||
| 229 | P | 90.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 5% | 0.045 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.1 | 176.8 | -22.1 | 33.8 | 0 | 0 | 0 | 113.4 | L182 D185 W232 | L182-P229 WeakPolarHBondContact O-CB 3.37Å; D185-P229 WeakPolarHBondContact OD1-CG 3.21Å; P229-W232 PolarHBondContact O-NE1 3.29Å |
| 230 | E | 89 | Confident | 92.4 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 28% | 0.28 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -21.7 | -178.4 | -52.6 | -168.4 | 136.5 | 0 | 0 | 114.4 | E167 Q168 L182 C228 | E167-E230 VanDerWaalsContact CB-O 3.28Å; E167-E230 WeakPolarHBondContact CB-O 3.29Å; E167-E230 WeakPolarHBondContact CG-O 2.81Å; E167-E230 PolarHBondContact N-O 3.24Å; Q168-E230 PolarHBondContact NE2-OE1 2.92Å; L182-E230 HydrophobicContact CB-CG 4.17Å; L182-E230 VanDerWaalsContact O-CG 3.25Å; L182-E230 WeakPolarHBondContact O-CG 3.2Å; C228-E230 PolarHBondContact O-N 3.2Å; C228-E230 VanDerWaalsContact O-N 3.12Å |
| 231 | N | 91.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -16.9 | -169.1 | 70.5 | 23.8 | 0 | 0 | 0 | 114.8 | S161 F165 D226 C228 R233 R234 I235 | S161-N231 PolarHBondContact OG-ND2 3.46Å; F165-N231 HydrophobicContact CB-CB 4.04Å; F165-N231 VanDerWaalsContact O-CA 3.26Å; F165-N231 WeakPolarHBondContact O-CA 3.21Å; F165-N231 WeakPolarHBondContact O-CB 3.07Å; D226-N231 PolarHBondContact O-ND2 2.74Å; C228-N231 PolarHBondContact N-OD1 3.12Å; C228-N231 PolarHBondContact O-N 3.15Å; C228-N231 VanDerWaalsContact O-N 3.15Å; C228-N231 PolarHBondContact O-OD1 3.02Å; N231-R233 VanDerWaalsContact C-N 3.34Å; N231-R233 PolarHBondContact O-N 3.04Å; N231-R234 PolarHBondContact O-N 3.48Å; N231-R234 VanDerWaalsContact O-N 3.14Å; N231-I235 HydrophobicContact CB-CD1 4.15Å; N231-I235 PolarHBondContact O-N 2.84Å |
| 232 | W | 93.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | -168 | 71.9 | -82.1 | 0 | 0 | 0 | 113.1 | I146 I150 P186 T190 I191 F194 L227 C228 P229 R234 V236 | I146-W232 HydrophobicContact CG2-CE3 4.34Å; I150-W232 HydrophobicContact CD1-CB 3.81Å; I150-W232 HydrophobicContact CD1-CD2 4.45Å; I150-W232 HydrophobicContact CD1-CG 3.91Å; P186-W232 HydrophobicContact CB-CZ2 4Å; P186-W232 HydrophobicContact CG-CD2 4.24Å; P186-W232 HydrophobicContact CG-CG 4.42Å; P186-W232 HydrophobicContact CG-CZ2 4.17Å; T190-W232 HydrophobicContact CG2-CZ2 4.42Å; I191-W232 HydrophobicContact CB-CH2 4.42Å; I191-W232 HydrophobicContact CB-CZ3 4.14Å; I191-W232 HydrophobicContact CG1-CE3 4.16Å; I191-W232 HydrophobicContact CG1-CH2 4Å; I191-W232 HydrophobicContact CG1-CZ2 4.46Å; I191-W232 HydrophobicContact CG1-CZ3 3.84Å; I191-W232 HydrophobicContact CG2-CZ3 4.07Å; F194-W232 HydrophobicContact CB-CH2 3.95Å; F194-W232 HydrophobicContact CB-CZ3 4.16Å; F194-W232 HydrophobicContact CD1-CH2 4.16Å; F194-W232 AromaticContact CD1-CZ3 3.7Å; F194-W232 HydrophobicContact CD1-CZ3 3.7Å; F194-W232 HydrophobicContact CE1-CZ3 4.4Å; F194-W232 HydrophobicContact CG-CH2 4.11Å; F194-W232 HydrophobicContact CG-CZ3 4.12Å; L227-W232 HydrophobicContact CD2-CB 4.1Å; L227-W232 HydrophobicContact CG-CB 3.98Å; C228-W232 WeakPolarHBondContact O-CB 3.31Å; C228-W232 VanDerWaalsContact O-CD1 3.31Å; C228-W232 PolarHBondContact O-N 2.83Å; P229-W232 PolarHBondContact O-NE1 3.29Å; W232-R234 VanDerWaalsContact C-N 3.34Å; W232-R234 PolarHBondContact O-N 3.4Å; W232-V236 HydrophobicContact CE3-CG2 4.38Å; W232-V236 VanDerWaalsContact O-CB 3.25Å; W232-V236 WeakPolarHBondContact O-CB 3.33Å; W232-V236 WeakPolarHBondContact O-CG2 3.46Å; W232-V236 PolarHBondContact O-N 2.96Å |
| 233 | R | 91.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | -178.6 | -64.5 | 171.6 | -82.7 | 138.9 | -4.7 | 111 | E167 I172 Y181 F194 N231 L237 | E167-R233 VanDerWaalsContact OE1-CB 3.31Å; E167-R233 WeakPolarHBondContact OE1-CB 3.41Å; E167-R233 IonicContact OE1-CZ 2.75Å; E167-R233 IonicContact OE1-NE 3.42Å; E167-R233 PolarHBondContact OE1-NE 2.75Å; E167-R233 IonicContact OE1-NH1 2.6Å; E167-R233 IonicContact OE1-NH2 2.88Å; E167-R233 PolarHBondContact OE1-NH2 2.8Å; E167-R233 IonicContact OE2-CZ 2.89Å; E167-R233 IonicContact OE2-NE 3.85Å; E167-R233 PolarHBondContact OE2-NE 3.26Å; E167-R233 IonicContact OE2-NH1 3.76Å; E167-R233 PolarHBondContact OE2-NH1 3.08Å; E167-R233 IonicContact OE2-NH2 3.87Å; E167-R233 PolarHBondContact OE2-NH2 2.99Å; I172-R233 HydrophobicContact CD1-CB 3.4Å; Y181-R233 WeakPolarHBondContact OH-CD 3.47Å; Y181-R233 PolarHBondContact OH-NE 2.98Å; Y181-R233 VanDerWaalsContact OH-NE 3.1Å; Y181-R233 PolarHBondContact OH-NH1 2.94Å; F194-R233 HydrophobicContact CD1-CG 4.41Å; F194-R233 HydrophobicContact CD2-CG 4.5Å; F194-R233 HydrophobicContact CE1-CB 3.96Å; F194-R233 HydrophobicContact CE1-CG 4.18Å; F194-R233 HydrophobicContact CE2-CB 4.25Å; F194-R233 HydrophobicContact CE2-CG 4.28Å; F194-R233 HydrophobicContact CZ-CB 3.72Å; F194-R233 HydrophobicContact CZ-CG 4.11Å; N231-R233 VanDerWaalsContact C-N 3.34Å; N231-R233 PolarHBondContact O-N 3.04Å; R233-L237 WeakPolarHBondContact O-CB 3.39Å; R233-L237 PolarHBondContact O-N 3.24Å |
| 234 | R | 90.4 | Very high | 91.5 | Very high | 61 Ų | 61 | 24.1 Ų | 24.1 | 23% | 0.23 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.8 | -45.7 | 178.3 | -76.9 | -166.6 | 157.4 | -95 | -16.9 | 111.9 | F165 E167 H170 P171 I172 N231 W232 L237 G238 | F165-R234 VanDerWaalsContact C-CD 3.45Å; F165-R234 HydrophobicContact CB-CB 4.26Å; F165-R234 HydrophobicContact CD1-CB 4.17Å; F165-R234 WeakPolarHBondContact O-CB 3.41Å; F165-R234 WeakPolarHBondContact O-CD 3.45Å; E167-R234 HydrophobicContact CG-CG 3.64Å; H170-R234 PolarHBondContact O-NE 3.19Å; H170-R234 PolarHBondContact O-NH2 3.14Å; P171-R234 PolarHBondContact O-NH2 3.04Å; I172-R234 HydrophobicContact CD1-CB 4.42Å; I172-R234 HydrophobicContact CD1-CG 3.63Å; I172-R234 HydrophobicContact CG1-CG 3.75Å; N231-R234 PolarHBondContact O-N 3.48Å; N231-R234 VanDerWaalsContact O-N 3.14Å; W232-R234 VanDerWaalsContact C-N 3.34Å; W232-R234 PolarHBondContact O-N 3.4Å; R234-L237 PolarHBondContact O-N 3.44Å; R234-G238 PolarHBondContact O-N 3.45Å |
| 235 | I | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 176.8 | -71.6 | 171.5 | 0 | 0 | 0 | 110 | F165 I216 L219 I225 L227 N231 G238 A239 | F165-I235 HydrophobicContact CB-CD1 4.37Å; F165-I235 HydrophobicContact CB-CG1 3.95Å; F165-I235 HydrophobicContact CD1-CG1 3.8Å; F165-I235 HydrophobicContact CD2-CD1 4.38Å; F165-I235 HydrophobicContact CD2-CG1 4.02Å; F165-I235 HydrophobicContact CE1-CG1 4.29Å; F165-I235 HydrophobicContact CE2-CG1 4.5Å; F165-I235 HydrophobicContact CG-CD1 4.32Å; F165-I235 HydrophobicContact CG-CG1 3.65Å; I216-I235 HydrophobicContact CG1-CG2 4.35Å; I216-I235 HydrophobicContact CG2-CG2 4.46Å; L219-I235 HydrophobicContact CD2-CG1 4.24Å; L219-I235 HydrophobicContact CD2-CG2 3.83Å; I225-I235 HydrophobicContact CG2-CD1 4.08Å; L227-I235 HydrophobicContact CD1-CB 4.08Å; L227-I235 HydrophobicContact CD1-CD1 3.7Å; L227-I235 HydrophobicContact CD1-CG1 4.5Å; L227-I235 HydrophobicContact CD1-CG2 3.76Å; N231-I235 HydrophobicContact CB-CD1 4.15Å; N231-I235 PolarHBondContact O-N 2.84Å; I235-G238 PolarHBondContact O-N 3.14Å; I235-A239 VanDerWaalsContact O-CB 3.28Å; I235-A239 WeakPolarHBondContact O-CB 3.41Å; I235-A239 PolarHBondContact O-N 3.5Å |
| 236 | V | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 179.6 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | I146 F194 V195 I216 W232 A239 I240 | I146-V236 HydrophobicContact CD1-CG1 4.19Å; I146-V236 HydrophobicContact CD1-CG2 3.5Å; I146-V236 HydrophobicContact CG1-CG2 4.04Å; I146-V236 HydrophobicContact CG2-CG2 4.32Å; F194-V236 HydrophobicContact CD1-CG1 4.22Å; F194-V236 HydrophobicContact CE1-CB 4.24Å; F194-V236 HydrophobicContact CE1-CG1 3.95Å; V195-V236 HydrophobicContact CG2-CG1 4.03Å; I216-V236 HydrophobicContact CD1-CG2 4Å; W232-V236 HydrophobicContact CE3-CG2 4.38Å; W232-V236 VanDerWaalsContact O-CB 3.25Å; W232-V236 WeakPolarHBondContact O-CB 3.33Å; W232-V236 WeakPolarHBondContact O-CG2 3.46Å; W232-V236 PolarHBondContact O-N 2.96Å; V236-A239 PolarHBondContact O-N 3.42Å; V236-I240 HydrophobicContact CG1-CD1 3.74Å; V236-I240 HydrophobicContact CG1-CG1 4.48Å; V236-I240 WeakPolarHBondContact O-CB 3.49Å; V236-I240 VanDerWaalsContact O-CG1 3.24Å; V236-I240 WeakPolarHBondContact O-CG1 3.47Å; V236-I240 PolarHBondContact O-N 2.84Å |
| 237 | L | 91.3 | Very high | 90.2 | Very high | 20 Ų | 20 | 35 Ų | 35 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -51.1 | 176.5 | 175.4 | 65.9 | 0 | 0 | 0 | 111.2 | I172 F194 L198 R233 R234 A239 I240 M241 L261 | I172-L237 HydrophobicContact CD1-CD2 4.31Å; F194-L237 HydrophobicContact CZ-CB 4.45Å; L198-L237 HydrophobicContact CD1-CD1 4.18Å; L198-L237 HydrophobicContact CD2-CD1 3.84Å; R233-L237 WeakPolarHBondContact O-CB 3.39Å; R233-L237 PolarHBondContact O-N 3.24Å; R234-L237 PolarHBondContact O-N 3.44Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.13Å; L237-I240 PolarHBondContact O-N 3.41Å; L237-M241 HydrophobicContact CD1-CG 4.25Å; L237-M241 HydrophobicContact CD1-SD 4.11Å; L237-M241 HydrophobicContact CG-CG 4.47Å; L237-M241 HydrophobicContact CG-SD 3.91Å; L237-M241 WeakPolarHBondContact O-CG 3.39Å; L237-M241 PolarHBondContact O-N 3.03Å; L237-L261 HydrophobicContact CD1-CD2 3.68Å; L237-L261 HydrophobicContact CD2-CD1 4.14Å; L237-L261 HydrophobicContact CD2-CD2 3.55Å; L237-L261 HydrophobicContact CD2-CG 4.43Å; L237-L261 HydrophobicContact CG-CD2 4.25Å |
| 238 | G | 90.7 | Very high | 89.2 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R234 I235 M241 L242 | R234-G238 PolarHBondContact O-N 3.45Å; I235-G238 PolarHBondContact O-N 3.14Å; G238-M241 PolarHBondContact O-N 3.46Å; G238-L242 WeakPolarHBondContact O-CB 3.24Å; G238-L242 VanDerWaalsContact O-CG 3.29Å; G238-L242 WeakPolarHBondContact O-CG 3.28Å; G238-L242 PolarHBondContact O-N 3.1Å |
| 239 | A | 93.7 | Very high | 88 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T212 I216 I235 V236 L237 L242 A243 | T212-A239 HydrophobicContact CG2-CB 4.04Å; I216-A239 HydrophobicContact CD1-CB 4.24Å; I216-A239 HydrophobicContact CG1-CB 3.58Å; I235-A239 VanDerWaalsContact O-CB 3.28Å; I235-A239 WeakPolarHBondContact O-CB 3.41Å; I235-A239 PolarHBondContact O-N 3.5Å; V236-A239 PolarHBondContact O-N 3.42Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.13Å; A239-L242 PolarHBondContact O-N 3.01Å; A239-A243 VanDerWaalsContact O-CB 3.29Å; A239-A243 WeakPolarHBondContact O-CB 3.2Å; A239-A243 PolarHBondContact O-N 2.79Å |
| 240 | I | 92.4 | Very high | 86.3 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.3 | -72.1 | 169.1 | 0 | 0 | 0 | 110.6 | L198 F199 L204 T212 V236 L237 L242 A243 S244 | L198-I240 HydrophobicContact CB-CD1 4.19Å; L198-I240 HydrophobicContact CD1-CD1 3.63Å; F199-I240 HydrophobicContact CD2-CD1 4.28Å; F199-I240 HydrophobicContact CE2-CD1 3.8Å; F199-I240 HydrophobicContact CE2-CG1 4.03Å; L204-I240 HydrophobicContact CD1-CG2 3.41Å; L204-I240 VanDerWaalsContact CD1-CG2 3.41Å; T212-I240 HydrophobicContact CG2-CB 4.45Å; T212-I240 HydrophobicContact CG2-CD1 4.49Å; T212-I240 HydrophobicContact CG2-CG1 3.46Å; T212-I240 VanDerWaalsContact CG2-CG1 3.46Å; V236-I240 HydrophobicContact CG1-CD1 3.74Å; V236-I240 HydrophobicContact CG1-CG1 4.48Å; V236-I240 WeakPolarHBondContact O-CB 3.49Å; V236-I240 VanDerWaalsContact O-CG1 3.24Å; V236-I240 WeakPolarHBondContact O-CG1 3.47Å; V236-I240 PolarHBondContact O-N 2.84Å; L237-I240 PolarHBondContact O-N 3.41Å; I240-L242 VanDerWaalsContact C-N 3.31Å; I240-L242 PolarHBondContact O-N 3.35Å; I240-A243 PolarHBondContact O-N 3.41Å; I240-S244 PolarHBondContact O-N 2.81Å; I240-S244 PolarHBondContact O-OG 3.29Å |
| 241 | M | 87.3 | Confident | 84.6 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 26% | 0.261 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 178.5 | -68 | 174.1 | 68.7 | 0 | 0 | 112.2 | L237 G238 S244 K245 Y257 | L237-M241 HydrophobicContact CD1-CG 4.25Å; L237-M241 HydrophobicContact CD1-SD 4.11Å; L237-M241 HydrophobicContact CG-CG 4.47Å; L237-M241 HydrophobicContact CG-SD 3.91Å; L237-M241 WeakPolarHBondContact O-CG 3.39Å; L237-M241 PolarHBondContact O-N 3.03Å; G238-M241 PolarHBondContact O-N 3.46Å; M241-S244 PolarHBondContact O-OG 2.81Å; M241-S244 VanDerWaalsContact O-OG 3.13Å; M241-K245 WeakPolarHBondContact O-CB 3.28Å; M241-K245 PolarHBondContact O-N 2.71Å; M241-Y257 HydrophobicContact CB-CE1 4.01Å; M241-Y257 HydrophobicContact CE-CD1 3.48Å; M241-Y257 VanDerWaalsContact CE-CD1 3.48Å; M241-Y257 HydrophobicContact CE-CD2 3.53Å; M241-Y257 HydrophobicContact CE-CE1 3.47Å; M241-Y257 VanDerWaalsContact CE-CE1 3.47Å; M241-Y257 HydrophobicContact CE-CE2 3.48Å; M241-Y257 VanDerWaalsContact CE-CE2 3.48Å; M241-Y257 HydrophobicContact CE-CG 3.53Å; M241-Y257 VanDerWaalsContact CE-CZ 3.45Å; M241-Y257 HydrophobicContact CG-CD1 3.91Å; M241-Y257 HydrophobicContact CG-CE1 3.47Å; M241-Y257 VanDerWaalsContact CG-CE1 3.47Å; M241-Y257 HydrophobicContact SD-CD1 4.09Å; M241-Y257 HydrophobicContact SD-CE1 4.12Å |
| 242 | L | 89.3 | Confident | 82.7 | Confident | 103 Ų | 103 | 57.5 Ų | 57.5 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.8 | -43.3 | 175.3 | -71.9 | 172.1 | 0 | 0 | 0 | 111.4 | Y215 G238 A239 I240 K245 V246 | Y215-L242 HydrophobicContact CD2-CB 4.06Å; Y215-L242 HydrophobicContact CE2-CB 4.05Å; G238-L242 WeakPolarHBondContact O-CB 3.24Å; G238-L242 VanDerWaalsContact O-CG 3.29Å; G238-L242 WeakPolarHBondContact O-CG 3.28Å; G238-L242 PolarHBondContact O-N 3.1Å; A239-L242 PolarHBondContact O-N 3.01Å; I240-L242 VanDerWaalsContact C-N 3.31Å; I240-L242 PolarHBondContact O-N 3.35Å; L242-K245 PolarHBondContact O-N 3.45Å; L242-V246 WeakPolarHBondContact O-CG2 3.24Å; L242-V246 PolarHBondContact O-N 3.04Å |
| 243 | A | 91.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I211 T212 Y215 A239 I240 K245 V246 W247 | I211-A243 HydrophobicContact CB-CB 4.16Å; I211-A243 HydrophobicContact CG2-CB 3.78Å; T212-A243 WeakPolarHBondContact OG1-CB 3.25Å; Y215-A243 HydrophobicContact CD2-CB 4.07Å; Y215-A243 HydrophobicContact CE2-CB 4.17Å; A239-A243 VanDerWaalsContact O-CB 3.29Å; A239-A243 WeakPolarHBondContact O-CB 3.2Å; A239-A243 PolarHBondContact O-N 2.79Å; I240-A243 PolarHBondContact O-N 3.41Å; A243-K245 VanDerWaalsContact C-N 3.31Å; A243-K245 PolarHBondContact O-N 3.17Å; A243-V246 PolarHBondContact O-N 2.98Å; A243-W247 VanDerWaalsContact O-CB 3.25Å; A243-W247 WeakPolarHBondContact O-CB 3.35Å; A243-W247 PolarHBondContact O-N 2.91Å |
| 244 | S | 86.4 | Confident | 79.5 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 178.4 | 69.3 | 0 | 0 | 0 | 0 | 111.7 | I240 M241 V246 D248 | I240-S244 PolarHBondContact O-N 2.81Å; I240-S244 PolarHBondContact O-OG 3.29Å; M241-S244 PolarHBondContact O-OG 2.81Å; M241-S244 VanDerWaalsContact O-OG 3.13Å; S244-V246 PolarHBondContact O-N 2.88Å; S244-D248 VanDerWaalsContact O-CB 3.29Å; S244-D248 WeakPolarHBondContact O-CB 3.34Å; S244-D248 PolarHBondContact O-N 3.22Å |
| 245 | K | 82.5 | Confident | 77.8 | Confident | 133 Ų | 133 | 67.5 Ų | 67.5 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.5 | -35 | 176.9 | -176.4 | 177.6 | 178.5 | -179.2 | 0 | 113.2 | M241 L242 A243 A251 | M241-K245 WeakPolarHBondContact O-CB 3.28Å; M241-K245 PolarHBondContact O-N 2.71Å; L242-K245 PolarHBondContact O-N 3.45Å; A243-K245 VanDerWaalsContact C-N 3.31Å; A243-K245 PolarHBondContact O-N 3.17Å; K245-A251 HydrophobicContact CG-CB 4.49Å |
| 246 | V | 84.9 | Confident | 76.2 | Confident | 97 Ų | 97 | 70.8 Ų | 70.8 | 59% | 0.588 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -84.5 | -31.7 | -177.9 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | Y215 L242 A243 S244 | Y215-V246 WeakPolarHBondContact OH-CG2 3.17Å; L242-V246 WeakPolarHBondContact O-CG2 3.24Å; L242-V246 PolarHBondContact O-N 3.04Å; A243-V246 PolarHBondContact O-N 2.98Å; S244-V246 PolarHBondContact O-N 2.88Å |
| 247 | W | 83.7 | Confident | 74.5 | Confident | 139 Ų | 139 | 72.6 Ų | 72.6 | 53% | 0.527 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -81.4 | -32 | -180 | -172 | -110.8 | 0 | 0 | 0 | 113.3 | E207 I211 A243 | E207-W247 HydrophobicContact CB-CD2 4.37Å; E207-W247 HydrophobicContact CB-CH2 3.99Å; E207-W247 HydrophobicContact CB-CZ2 3.39Å; E207-W247 HydrophobicContact CG-CH2 4.25Å; E207-W247 HydrophobicContact CG-CZ2 3.67Å; I211-W247 HydrophobicContact CD1-CB 4.06Å; I211-W247 HydrophobicContact CD1-CD2 3.75Å; I211-W247 HydrophobicContact CD1-CE3 3.3Å; I211-W247 HydrophobicContact CD1-CG 4.08Å; I211-W247 HydrophobicContact CD1-CZ3 3.99Å; A243-W247 VanDerWaalsContact O-CB 3.25Å; A243-W247 WeakPolarHBondContact O-CB 3.35Å; A243-W247 PolarHBondContact O-N 2.91Å |
| 248 | D | 73.4 | Confident | 73 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | trans | -104.8 | 117.3 | -177.8 | -159.6 | -32.7 | 0 | 0 | 0 | 111.8 | S244 Q250 W253 | S244-D248 VanDerWaalsContact O-CB 3.29Å; S244-D248 WeakPolarHBondContact O-CB 3.34Å; S244-D248 PolarHBondContact O-N 3.22Å; D248-Q250 PolarHBondContact O-N 3.03Å; D248-Q250 PolarHBondContact OD1-N 2.91Å; D248-W253 HydrophobicContact CB-CZ2 4.43Å | ||
| 249 | D | 67 | Low | 71.4 | Confident | 154 Ų | 154 | 78.9 Ų | 78.9 | 82% | 0.824 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -69.8 | -5.8 | -179.4 | -157.9 | 29.7 | 0 | 0 | 0 | 112.7 | ||
| 250 | Q | 53.9 | Low | 70 | Confident | 144 Ų | 144 | 79.5 Ų | 79.5 | 67% | 0.673 | 42% | 0.416 | S | S | * | . | trans | -119.8 | 80.3 | -179.6 | -65.7 | -62.4 | -41.9 | 0 | 0 | 112.3 | D248 V252 | D248-Q250 PolarHBondContact O-N 3.03Å; D248-Q250 PolarHBondContact OD1-N 2.91Å; Q250-V252 PolarHBondContact O-N 2.6Å | ||
| 251 | A | 54 | Low | 68.5 | Low | 51 Ų | 51 | 81.4 Ų | 81.4 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | trans | -97.2 | 77.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K245 W253 | K245-A251 HydrophobicContact CG-CB 4.49Å; A251-W253 VanDerWaalsContact C-N 3.35Å; A251-W253 VanDerWaalsContact CB-NE1 3.28Å; A251-W253 PolarHBondContact O-N 3.42Å | ||
| 252 | V | 52.2 | Low | 67.2 | Low | 120 Ų | 120 | 87 Ų | 87 | 73% | 0.727 | 44% | 0.444 | S | S | * | . | trans | -90.8 | 54.1 | 175.4 | -164.5 | 0 | 0 | 0 | 0 | 112 | Q250 | Q250-V252 PolarHBondContact O-N 2.6Š| ||
| 253 | W | 60.4 | Low | 65.5 | Low | 31 Ų | 31 | 85.4 Ų | 85.4 | 12% | 0.117 | 44% | 0.442 | C | S | . | . | trans | -94.4 | -12.3 | -162.6 | -54.8 | 97.5 | 0 | 0 | 0 | 117.1 | A202 L204 D248 A251 V255 D256 Y257 | A202-W253 HydrophobicContact CB-CZ3 4.28Å; L204-W253 HydrophobicContact CD2-CH2 4.4Å; D248-W253 HydrophobicContact CB-CZ2 4.43Å; A251-W253 VanDerWaalsContact C-N 3.35Å; A251-W253 VanDerWaalsContact CB-NE1 3.28Å; A251-W253 PolarHBondContact O-N 3.42Å; W253-V255 VanDerWaalsContact C-N 3.28Å; W253-V255 PolarHBondContact O-N 3.34Å; W253-V255 VanDerWaalsContact O-N 3.13Å; W253-D256 PolarHBondContact O-N 3.08Å; W253-Y257 HydrophobicContact CB-CD2 3.99Å; W253-Y257 HydrophobicContact CB-CE1 4.08Å; W253-Y257 HydrophobicContact CB-CE2 3.15Å; W253-Y257 WeakPolarHBondContact CB-OH 3.14Å; W253-Y257 HydrophobicContact CE3-CE1 4.12Å; W253-Y257 HydrophobicContact CG-CE2 4.22Å; W253-Y257 AromaticContact CG-CZ 3.82Å; W253-Y257 WeakPolarHBondContact O-CD2 3.45Å; W253-Y257 WeakPolarHBondContact O-CE2 3.29Å; W253-Y257 PolarHBondContact O-N 3.02Å | ||
| 254 | N | 56.6 | Low | 64 | Low | 153 Ų | 153 | 85.8 Ų | 85.8 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -25.7 | -167.5 | -73.1 | -11.8 | 0 | 0 | 0 | 114.9 | ||
| 255 | V | 55 | Low | 62.6 | Low | 100 Ų | 100 | 87.3 Ų | 87.3 | 61% | 0.606 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -33.1 | -178.3 | -179.5 | 0 | 0 | 0 | 0 | 112 | W253 Y257 | W253-V255 VanDerWaalsContact C-N 3.28Å; W253-V255 PolarHBondContact O-N 3.34Å; W253-V255 VanDerWaalsContact O-N 3.13Å; V255-Y257 PolarHBondContact O-N 3.4Å |
| 256 | D | 59.9 | Low | 61.2 | Low | 69 Ų | 69 | 85 Ų | 85 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -75.7 | -27.9 | -172.6 | -63.3 | -27.9 | 0 | 0 | 0 | 112.4 | W253 C258 Q259 I260 | W253-D256 PolarHBondContact O-N 3.08Å; D256-C258 VanDerWaalsContact C-N 3.31Å; D256-C258 PolarHBondContact O-N 2.88Å; D256-Q259 CarbonylContact O-C 3.53Å; D256-Q259 WeakPolarHBondContact O-CA 3.2Å; D256-Q259 WeakPolarHBondContact O-CB 3.33Å; D256-Q259 PolarHBondContact O-N 3.36Å; D256-I260 HydrophobicContact CB-CD1 4.13Å; D256-I260 WeakPolarHBondContact O-CB 3.17Å; D256-I260 VanDerWaalsContact O-CG1 3.24Å; D256-I260 WeakPolarHBondContact O-CG1 3.46Å; D256-I260 PolarHBondContact O-N 2.69Å |
| 257 | Y | 59.3 | Low | 59.5 | Low | 38 Ų | 38 | 87.5 Ų | 87.5 | 15% | 0.149 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 177.5 | -67.4 | -54.6 | 0 | 0 | 0 | 113.1 | M241 W253 V255 Q259 I260 L261 | M241-Y257 HydrophobicContact CB-CE1 4.01Å; M241-Y257 HydrophobicContact CE-CD1 3.48Å; M241-Y257 VanDerWaalsContact CE-CD1 3.48Å; M241-Y257 HydrophobicContact CE-CD2 3.53Å; M241-Y257 HydrophobicContact CE-CE1 3.47Å; M241-Y257 VanDerWaalsContact CE-CE1 3.47Å; M241-Y257 HydrophobicContact CE-CE2 3.48Å; M241-Y257 VanDerWaalsContact CE-CE2 3.48Å; M241-Y257 HydrophobicContact CE-CG 3.53Å; M241-Y257 VanDerWaalsContact CE-CZ 3.45Å; M241-Y257 HydrophobicContact CG-CD1 3.91Å; M241-Y257 HydrophobicContact CG-CE1 3.47Å; M241-Y257 VanDerWaalsContact CG-CE1 3.47Å; M241-Y257 HydrophobicContact SD-CD1 4.09Å; M241-Y257 HydrophobicContact SD-CE1 4.12Å; W253-Y257 HydrophobicContact CB-CD2 3.99Å; W253-Y257 HydrophobicContact CB-CE1 4.08Å; W253-Y257 HydrophobicContact CB-CE2 3.15Å; W253-Y257 WeakPolarHBondContact CB-OH 3.14Å; W253-Y257 HydrophobicContact CE3-CE1 4.12Å; W253-Y257 HydrophobicContact CG-CE2 4.22Å; W253-Y257 AromaticContact CG-CZ 3.82Å; W253-Y257 WeakPolarHBondContact O-CD2 3.45Å; W253-Y257 WeakPolarHBondContact O-CE2 3.29Å; W253-Y257 PolarHBondContact O-N 3.02Å; V255-Y257 PolarHBondContact O-N 3.4Å; Y257-Q259 PolarHBondContact O-N 3.49Å; Y257-I260 PolarHBondContact O-N 3.37Å; Y257-L261 WeakPolarHBondContact O-CB 3.09Å; Y257-L261 WeakPolarHBondContact O-CG 3.44Å; Y257-L261 PolarHBondContact O-N 3.18Å |
| 258 | C | 58.4 | Low | 58.1 | Low | 66 Ų | 66 | 82.2 Ų | 82.2 | 45% | 0.446 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.1 | -34.1 | 177.1 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | D256 R262 | D256-C258 VanDerWaalsContact C-N 3.31Å; D256-C258 PolarHBondContact O-N 2.88Å; C258-R262 VanDerWaalsContact O-CB 3.29Å; C258-R262 WeakPolarHBondContact O-CB 3.16Å; C258-R262 WeakPolarHBondContact O-CD 3.26Å; C258-R262 WeakPolarHBondContact O-CG 3.44Å; C258-R262 PolarHBondContact O-N 2.93Å; C258-R262 VanDerWaalsContact O-N 3.08Å |
| 259 | Q | 59 | Low | 57.1 | Low | 110 Ų | 110 | 82.3 Ų | 82.3 | 51% | 0.514 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -75.2 | -43.2 | 178.2 | -61.7 | -172.8 | 6.9 | 0 | 0 | 111.4 | D256 Y257 R262 S263 | D256-Q259 CarbonylContact O-C 3.53Å; D256-Q259 WeakPolarHBondContact O-CA 3.2Å; D256-Q259 WeakPolarHBondContact O-CB 3.33Å; D256-Q259 PolarHBondContact O-N 3.36Å; Y257-Q259 PolarHBondContact O-N 3.49Å; Q259-R262 PolarHBondContact O-N 3.14Å; Q259-S263 VanDerWaalsContact O-CB 3.24Å; Q259-S263 WeakPolarHBondContact O-CB 3.46Å; Q259-S263 PolarHBondContact O-N 3.08Å; Q259-S263 PolarHBondContact O-OG 3.12Å |
| 260 | I | 62.3 | Low | 56.3 | Low | 19 Ų | 19 | 82.6 Ų | 82.6 | 10% | 0.097 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 175.3 | -68.6 | 161.4 | 0 | 0 | 0 | 109.1 | L198 A201 A202 D256 Y257 R262 S263 C264 | L198-I260 HydrophobicContact CD2-CG2 3.99Å; A201-I260 HydrophobicContact CB-CB 4.41Å; A201-I260 HydrophobicContact CB-CG1 4.19Å; A201-I260 HydrophobicContact CB-CG2 3.82Å; A202-I260 HydrophobicContact CB-CD1 4.13Å; D256-I260 HydrophobicContact CB-CD1 4.13Å; D256-I260 WeakPolarHBondContact O-CB 3.17Å; D256-I260 VanDerWaalsContact O-CG1 3.24Å; D256-I260 WeakPolarHBondContact O-CG1 3.46Å; D256-I260 PolarHBondContact O-N 2.69Å; Y257-I260 PolarHBondContact O-N 3.37Å; I260-R262 PolarHBondContact O-N 2.56Å; I260-S263 PolarHBondContact O-N 3.08Å; I260-C264 WeakPolarHBondContact O-CB 3Å; I260-C264 PolarHBondContact O-N 3.33Å; I260-C264 PolarHBondContact O-SG 3.48Å |
| 261 | L | 62.1 | Low | 56.3 | Low | 46 Ų | 46 | 77.8 Ų | 77.8 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 178.6 | -68.9 | 175.1 | 0 | 0 | 0 | 112.8 | I172 L237 Y257 S263 N265 | I172-L261 HydrophobicContact CG2-CD2 4.05Å; L237-L261 HydrophobicContact CD1-CD2 3.68Å; L237-L261 HydrophobicContact CD2-CD1 4.14Å; L237-L261 HydrophobicContact CD2-CD2 3.55Å; L237-L261 HydrophobicContact CD2-CG 4.43Å; L237-L261 HydrophobicContact CG-CD2 4.25Å; Y257-L261 WeakPolarHBondContact O-CB 3.09Å; Y257-L261 WeakPolarHBondContact O-CG 3.44Å; Y257-L261 PolarHBondContact O-N 3.18Å; L261-S263 VanDerWaalsContact C-N 3.35Å; L261-N265 VanDerWaalsContact O-CB 3.24Å; L261-N265 WeakPolarHBondContact O-CB 3.5Å; L261-N265 PolarHBondContact O-N 2.99Å |
| 262 | R | 59.4 | Low | 56.2 | Low | 171 Ų | 171 | 77.6 Ų | 77.6 | 65% | 0.645 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64 | -39.6 | 174.6 | -76.4 | 174.7 | -176.2 | 131.2 | 1.7 | 112.2 | C258 Q259 I260 N265 V266 | C258-R262 VanDerWaalsContact O-CB 3.29Å; C258-R262 WeakPolarHBondContact O-CB 3.16Å; C258-R262 WeakPolarHBondContact O-CD 3.26Å; C258-R262 WeakPolarHBondContact O-CG 3.44Å; C258-R262 PolarHBondContact O-N 2.93Å; C258-R262 VanDerWaalsContact O-N 3.08Å; Q259-R262 PolarHBondContact O-N 3.14Å; I260-R262 PolarHBondContact O-N 2.56Å; R262-N265 PolarHBondContact O-N 2.9Å; R262-V266 WeakPolarHBondContact O-CG2 3.41Å; R262-V266 PolarHBondContact O-N 3.41Å |
| 263 | S | 54.2 | Low | 56 | Low | 70 Ų | 70 | 79 Ų | 79 | 49% | 0.49 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.9 | -38.3 | -179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | Q259 I260 L261 N265 | Q259-S263 VanDerWaalsContact O-CB 3.24Å; Q259-S263 WeakPolarHBondContact O-CB 3.46Å; Q259-S263 PolarHBondContact O-N 3.08Å; Q259-S263 PolarHBondContact O-OG 3.12Å; I260-S263 PolarHBondContact O-N 3.08Å; L261-S263 VanDerWaalsContact C-N 3.35Å; S263-N265 VanDerWaalsContact C-N 3.32Å |
| 264 | C | 58.9 | Low | 55.3 | Low | 8 Ų | 8 | 87.7 Ų | 87.7 | 5% | 0.054 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 173.4 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | T197 I260 D268 | T197-C264 HydrophobicContact CG2-CB 3.93Å; T197-C264 VanDerWaalsContact CG2-SG 3.6Å; I260-C264 WeakPolarHBondContact O-CB 3Å; I260-C264 PolarHBondContact O-N 3.33Å; I260-C264 PolarHBondContact O-SG 3.48Å; C264-D268 WeakPolarHBondContact O-CB 3.3Å; C264-D268 PolarHBondContact O-N 2.8Å |
| 265 | N | 57.9 | Low | 54.8 | Low | 36 Ų | 36 | 89 Ų | 89 | 19% | 0.193 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.2 | -45.7 | -175.1 | -173.5 | 16 | 0 | 0 | 0 | 113 | T173 L261 R262 S263 M269 | T173-N265 WeakPolarHBondContact CB-OD1 3.23Å; T173-N265 WeakPolarHBondContact CG2-ND2 3.36Å; T173-N265 WeakPolarHBondContact CG2-OD1 3.26Å; T173-N265 PolarHBondContact OG1-OD1 2.87Å; L261-N265 VanDerWaalsContact O-CB 3.24Å; L261-N265 WeakPolarHBondContact O-CB 3.5Å; L261-N265 PolarHBondContact O-N 2.99Å; R262-N265 PolarHBondContact O-N 2.9Å; S263-N265 VanDerWaalsContact C-N 3.32Å; N265-M269 WeakPolarHBondContact O-CB 3.46Å; N265-M269 PolarHBondContact O-N 3.24Å |
| 266 | V | 51.9 | Low | 54 | Low | 86 Ų | 86 | 96.4 Ų | 96.4 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.7 | -43 | -173.3 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | R262 Y270 | R262-V266 WeakPolarHBondContact O-CG2 3.41Å; R262-V266 PolarHBondContact O-N 3.41Å; V266-Y270 HydrophobicContact CG1-CE2 4.35Å; V266-Y270 WeakPolarHBondContact O-CD2 3.4Å |
| 267 | Q | 49.8 | Very low | 53.8 | Low | 148 Ų | 148 | 97.8 Ų | 97.8 | 69% | 0.692 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -76.5 | -32.6 | -175.7 | -69.2 | -165.7 | -13.5 | 0 | 0 | 113.2 | ||
| 268 | D | 54.8 | Low | 53.5 | Low | 29 Ų | 29 | 100.9 Ų | 100.9 | 16% | 0.155 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -84.6 | -25.6 | -175 | -81.7 | -33.4 | 0 | 0 | 0 | 114.3 | R193 T197 C264 Y270 | R193-D268 IonicContact CZ-OD1 3.08Å; R193-D268 IonicContact NE-OD1 3.62Å; R193-D268 VanDerWaalsContact NH2-C 3.31Å; R193-D268 PolarHBondContact NH2-O 2.8Å; R193-D268 IonicContact NH2-OD1 3.71Å; R193-D268 PolarHBondContact NH2-OD1 2.98Å; T197-D268 WeakPolarHBondContact CB-OD2 3.33Å; T197-D268 PolarHBondContact OG1-OD2 3.31Å; C264-D268 WeakPolarHBondContact O-CB 3.3Å; C264-D268 PolarHBondContact O-N 2.8Å; D268-Y270 VanDerWaalsContact C-N 3.3Å; D268-Y270 PolarHBondContact O-N 3.11Å |
| 269 | M | 51.8 | Low | 53.2 | Low | 80 Ų | 80 | 102.9 Ų | 102.9 | 39% | 0.394 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 176.2 | -171.1 | 168.9 | 63 | 0 | 0 | 112.3 | N265 | N265-M269 WeakPolarHBondContact O-CB 3.46Å; N265-M269 PolarHBondContact O-N 3.24Å |
| 270 | Y | 51.3 | Low | 52.8 | Low | 159 Ų | 159 | 102.5 Ų | 102.5 | 62% | 0.624 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -89.8 | -22.9 | -179.1 | -61.2 | -69.1 | 0 | 0 | 0 | 114.3 | V266 D268 G272 | V266-Y270 HydrophobicContact CG1-CE2 4.35Å; V266-Y270 WeakPolarHBondContact O-CD2 3.4Å; D268-Y270 VanDerWaalsContact C-N 3.3Å; D268-Y270 PolarHBondContact O-N 3.11Å; Y270-G272 VanDerWaalsContact C-N 3.34Å |
| 271 | A | 53.5 | Low | 52.3 | Low | 44 Ų | 44 | 107.7 Ų | 107.7 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -77.5 | -18.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 272 | G | 51.8 | Low | 51.6 | Low | 47 Ų | 47 | 111.8 Ų | 111.8 | 49% | 0.485 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -20.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y270 | Y270-G272 VanDerWaalsContact C-N 3.34Š|
| 273 | L | 47.9 | Very low | 51 | Low | 149 Ų | 149 | 107.6 Ų | 107.6 | 78% | 0.78 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 4.1 | -178.9 | -89.4 | 98.2 | 0 | 0 | 0 | 114.2 | ||
| 274 | R | 46 | Very low | 50.8 | Low | 213 Ų | 213 | 110.5 Ų | 110.5 | 80% | 0.804 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -105.5 | 12.3 | -175 | -118.5 | 179.2 | -167.4 | 176 | 4.2 | 115.4 | ||
| 275 | F | 46.2 | Very low | 50.1 | Low | 182 Ų | 182 | 119 Ų | 119 | 80% | 0.798 | 58% | 0.582 | S | S | * | * | trans | -132.6 | 58.5 | 178.3 | -67 | -80 | 0 | 0 | 0 | 110.7 | ||||
| 276 | H | 38.8 | Very low | 49.4 | Very low | 255 Ų | 255 | 126.5 Ų | 126.5 | 100% | 1.181 | 62% | 0.618 | S | S | * | * | trans | -165 | 0 | 153.4 | -122.7 | -68.2 | 0 | 0 | 0 | 108.3 |
Retrieved 276 of 276 residues in 181.5 ms
(Link to these results)