| 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 | 32 | Very low | 29.9 | Very low | 239 Ų | 239 | 159.1 Ų | 159.1 | 100% | 1.177 | 82% | 0.818 | S | S | * | * | 0 | 99.4 | 0 | -84.3 | 156.1 | 104.4 | 0 | 0 | 106.4 | |||||
| 2 | N | 27.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 159.5 Ų | 159.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -105.3 | 116.9 | -178.5 | -76 | 6.7 | 0 | 0 | 0 | 109 | ||||
| 3 | T | 30.3 | Very low | 29.7 | Very low | 141 Ų | 141 | 157 Ų | 157 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 119.6 | 166.2 | -15.6 | 0 | 0 | 0 | 0 | 107.8 | ||
| 4 | F | 29.1 | Very low | 29.9 | Very low | 178 Ų | 178 | 161.2 Ų | 161.2 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 135.9 | 167.1 | -73.3 | -89.3 | 0 | 0 | 0 | 109.2 | ||
| 5 | P | 38.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 156.9 Ų | 156.9 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 119.8 | 152.2 | 31.2 | -24.2 | 0 | 0 | 0 | 108.8 | S7 | P5-S7 PolarHBondContact O-N 3.26Š|
| 6 | N | 34.2 | Very low | 30.1 | Very low | 139 Ų | 139 | 157.4 Ų | 157.4 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -66.5 | 113.6 | 165.9 | -77.2 | -35.2 | 0 | 0 | 0 | 109.3 | F8 | N6-F8 HydrophobicContact CB-CD2 4.46Š| ||
| 7 | S | 28.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 157.5 Ų | 157.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -106.9 | 95 | 158.7 | -87.7 | 0 | 0 | 0 | 0 | 109.1 | P5 | P5-S7 PolarHBondContact O-N 3.26Š| ||
| 8 | F | 27 | Very low | 30.3 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | -77.7 | 116.3 | 159.3 | -86.4 | -96.5 | 0 | 0 | 0 | 108.1 | N6 | N6-F8 HydrophobicContact CB-CD2 4.46Š| ||
| 9 | M | 26.4 | Very low | 30.6 | Very low | 160 Ų | 160 | 159.2 Ų | 159.2 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -99.2 | 101 | 156.4 | -92.8 | -154.6 | 179.3 | 0 | 0 | 108.2 | Y11 | M9-Y11 HydrophobicContact SD-CE2 4.38Š| ||
| 10 | I | 27.7 | Very low | 31 | Very low | 142 Ų | 142 | 159.4 Ų | 159.4 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | trans | -82 | 108.1 | 164 | -60.6 | 173.9 | 0 | 0 | 0 | 105.8 | Q12 | I10-Q12 PolarHBondContact O-N 3.06Š| ||
| 11 | Y | 28.2 | Very low | 31.3 | Very low | 189 Ų | 189 | 158.9 Ų | 158.9 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 118.4 | 166.8 | -86.8 | -87.4 | 0 | 0 | 0 | 108.5 | M9 | M9-Y11 HydrophobicContact SD-CE2 4.38Š|
| 12 | Q | 26.7 | Very low | 31.4 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 142.3 | 173 | -76.1 | -177.9 | -18.3 | 0 | 0 | 110.6 | I10 Y14 | I10-Q12 PolarHBondContact O-N 3.06Å; Q12-Y14 PolarHBondContact O-N 3.22Å |
| 13 | P | 30.9 | Very low | 31.6 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 125.6 | 168.3 | 28.7 | -31 | 0 | 0 | 0 | 109.8 | ||
| 14 | Y | 32.6 | Very low | 31.7 | Very low | 216 Ų | 216 | 158 Ų | 158 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 142.9 | 177.7 | -78.2 | -88.1 | 0 | 0 | 0 | 112.5 | Q12 | Q12-Y14 PolarHBondContact O-N 3.22Š|
| 15 | S | 27.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 157.2 Ų | 157.2 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 137.1 | -177.9 | -157 | 0 | 0 | 0 | 0 | 113.1 | E17 | S15-E17 PolarHBondContact O-N 3.27Š|
| 16 | I | 35.9 | Very low | 31.4 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -92.2 | 62.8 | -179.8 | -49.8 | 170.5 | 0 | 0 | 0 | 109.2 | ||||
| 17 | E | 30.4 | Very low | 31.2 | Very low | 159 Ų | 159 | 157 Ų | 157 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -109.7 | -5 | -176.6 | -95.4 | -178.9 | 154.4 | 0 | 0 | 116.2 | S15 | S15-E17 PolarHBondContact O-N 3.27Š| ||
| 18 | N | 33.8 | Very low | 31.9 | Very low | 155 Ų | 155 | 155.8 Ų | 155.8 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -125.1 | 55.6 | -176.2 | -69.9 | -23.9 | 0 | 0 | 0 | 113.9 | ||
| 19 | F | 35 | Very low | 32.1 | Very low | 192 Ų | 192 | 156.1 Ų | 156.1 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -139.3 | 39.6 | 172.9 | -119.8 | -83.6 | 0 | 0 | 0 | 113.7 | ||||
| 20 | I | 39.5 | Very low | 32.2 | Very low | 163 Ų | 163 | 157.4 Ų | 157.4 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -120.1 | 86.2 | 159.4 | -53.9 | -179.9 | 0 | 0 | 0 | 106.6 | ||||
| 21 | D | 36 | Very low | 32.2 | Very low | 149 Ų | 149 | 153.9 Ų | 153.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -176.6 | 85.8 | 146.9 | -101.5 | -30.4 | 0 | 0 | 0 | 108.5 | ||||
| 22 | E | 34.3 | Very low | 32.2 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -130.3 | 95.6 | 152.8 | -157.7 | 173.8 | 160 | 0 | 0 | 108.1 | V24 | E22-V24 PolarHBondContact O-N 3.18Š| ||
| 23 | K | 32.2 | Very low | 32.6 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -56.9 | 119.5 | 172.3 | -80.9 | 178.9 | 171.4 | 178.3 | 0 | 110 | N25 | K23-N25 PolarHBondContact O-N 3.43Š| ||
| 24 | V | 31.8 | Very low | 33.2 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -67.7 | 112 | 159.4 | 170.8 | 0 | 0 | 0 | 0 | 107.7 | E22 | E22-V24 PolarHBondContact O-N 3.18Š| ||
| 25 | N | 29.2 | Very low | 33.2 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -95.4 | 107.4 | 174.8 | -136.7 | 18.2 | 0 | 0 | 0 | 108.5 | K23 | K23-N25 PolarHBondContact O-N 3.43Š| ||
| 26 | G | 32 | Very low | 33.5 | Very low | 68 Ų | 68 | 148.1 Ų | 148.1 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -145.5 | 110.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 27 | Q | 29.9 | Very low | 33.3 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -80.3 | 172.5 | -173.1 | -124.4 | -161.7 | -69.8 | 0 | 0 | 112 | ||||
| 28 | P | 42.7 | Very low | 33.6 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | -104.8 | 177.2 | -128 | 34.6 | -15.2 | 0 | 0 | 0 | 113 | |||||
| 29 | E | 31.6 | Very low | 33.7 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -163.1 | 118.4 | 132.8 | -77.3 | -125.5 | 144.6 | 0 | 0 | 110.6 | ||||
| 30 | E | 29.7 | Very low | 34 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 48.7 | 122 | 137.9 | -145.2 | 162.2 | -164.8 | 0 | 0 | 121.9 | ||||
| 31 | G | 27.3 | Very low | 33.5 | Very low | 67 Ų | 67 | 138.9 Ų | 138.9 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 145.9 | 82 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 32 | D | 27.6 | Very low | 33.6 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | 61.3 | 105.1 | 149.4 | -56.7 | -22.5 | 0 | 0 | 0 | 121.5 | ||||
| 33 | E | 36.1 | Very low | 33.5 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -70.9 | 161.1 | 155.1 | -128.1 | -159.2 | -135 | 0 | 0 | 110.4 | T35 | E33-T35 PolarHBondContact OE2-N 2.8Å; E33-T35 PolarHBondContact OE2-OG1 2.96Å | ||
| 34 | P | 42.9 | Very low | 33.8 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | -148.3 | 144.1 | 73.5 | 32.9 | -11.3 | 0 | 0 | 0 | 116.9 | |||||
| 35 | T | 32.5 | Very low | 33.7 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 57% | 0.571 | 79% | 0.791 | S | S | * | * | 24.3 | 112.8 | 122.1 | -60.4 | 0 | 0 | 0 | 0 | 117 | E33 | E33-T35 PolarHBondContact OE2-N 2.8Å; E33-T35 PolarHBondContact OE2-OG1 2.96Å | |||
| 36 | V | 32.7 | Very low | 34 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -108.3 | 96.2 | 160.1 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 37 | S | 32.4 | Very low | 34.5 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | trans | -62.9 | 132.6 | 168.1 | -34.7 | 0 | 0 | 0 | 0 | 110.6 | L39 | S37-L39 PolarHBondContact O-N 3.31Š| ||
| 38 | S | 37.2 | Very low | 34.5 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -45.2 | 125.9 | 153.9 | 42.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 39 | L | 34.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -150.6 | 108.9 | 153.5 | -97.3 | 169.7 | 0 | 0 | 0 | 110.1 | S37 | S37-L39 PolarHBondContact O-N 3.31Š| ||
| 40 | L | 41.1 | Very low | 34.5 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -58.4 | 132.8 | 152 | -91.5 | 81.6 | 0 | 0 | 0 | 108.7 | ||||
| 41 | S | 30.2 | Very low | 35.2 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -156.8 | 115.3 | 150.2 | -79.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | S | 37.6 | Very low | 35.5 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -55.9 | 146.3 | 164.2 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 43 | S | 31.5 | Very low | 36.2 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -158.4 | 123.5 | 147.9 | -73.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 44 | N | 39.3 | Very low | 36.4 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -55.8 | 144.4 | 166.2 | -89.9 | -21.1 | 0 | 0 | 0 | 111.5 | ||||
| 45 | S | 30.5 | Very low | 36.8 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -151.7 | 136.2 | 143.8 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | T | 34 | Very low | 37.7 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -63 | 142.2 | 177.3 | 20.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 47 | S | 44 | Very low | 39 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 21.5 | 115.8 | 153.5 | 63.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 48 | H | 28.8 | Very low | 40.2 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -145.8 | 123.5 | 135.3 | -92.7 | -73.4 | 0 | 0 | 0 | 110 | S50 | H48-S50 PolarHBondContact O-N 3.34Å; H48-S50 VanDerWaalsContact O-N 3.15Å | ||
| 49 | H | 43.8 | Very low | 41.2 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 102.1 | 170.5 | -166.2 | 29.6 | 0 | 0 | 0 | 107.9 | ||||
| 50 | S | 30.6 | Very low | 42.1 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -126.8 | 110.4 | 168.2 | 44.6 | 0 | 0 | 0 | 0 | 108.4 | H48 S52 | H48-S50 PolarHBondContact O-N 3.34Å; H48-S50 VanDerWaalsContact O-N 3.15Å; S50-S52 VanDerWaalsContact C-N 3.25Å; S50-S52 PolarHBondContact O-N 3.33Å | ||
| 51 | N | 44.3 | Very low | 42.8 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | -62.3 | 90.9 | 165.8 | -79.4 | -24.8 | 0 | 0 | 0 | 108.1 | ||||
| 52 | S | 33.5 | Very low | 44.1 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | trans | -129.8 | 107.9 | 167.7 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | S50 N54 | S50-S52 VanDerWaalsContact C-N 3.25Å; S50-S52 PolarHBondContact O-N 3.33Å; S52-N54 PolarHBondContact O-N 3.1Å | ||
| 53 | T | 42 | Very low | 44.9 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 91% | 0.908 | 72% | 0.724 | S | S | * | * | trans | -68.4 | 75.1 | 176.5 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 54 | N | 41.5 | Very low | 45.7 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | -110.8 | 73.8 | 165.1 | -152.3 | -18.2 | 0 | 0 | 0 | 107.9 | S52 R56 | S52-N54 PolarHBondContact O-N 3.1Å; N54-R56 VanDerWaalsContact C-N 3.29Å; N54-R56 PolarHBondContact O-N 3.03Å | ||
| 55 | R | 50.6 | Low | 46.3 | Very low | 190 Ų | 190 | 131.5 Ų | 131.5 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -69.5 | 93.2 | 169.5 | -79.8 | -177 | 175.5 | 176.3 | 0.3 | 107.1 | I57 | R55-I57 VanDerWaalsContact C-N 3.27Å; R55-I57 PolarHBondContact O-N 3.24Å | ||
| 56 | R | 52.7 | Low | 47.3 | Very low | 224 Ų | 224 | 135.5 Ų | 135.5 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | trans | -61.1 | 99.2 | 154.9 | -98.8 | -174.2 | 177.9 | 179.6 | 0.2 | 106.5 | N54 T58 | N54-R56 VanDerWaalsContact C-N 3.29Å; N54-R56 PolarHBondContact O-N 3.03Å; R56-T58 PolarHBondContact O-N 2.93Å; R56-T58 VanDerWaalsContact O-N 3.17Å | ||
| 57 | I | 58.2 | Low | 48.1 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 59% | 0.59 | 67% | 0.668 | S | S | * | * | trans | -70.1 | 108.8 | 174 | -60 | 168.2 | 0 | 0 | 0 | 105.9 | R55 F62 | R55-I57 VanDerWaalsContact C-N 3.27Å; R55-I57 PolarHBondContact O-N 3.24Å; I57-F62 HydrophobicContact CG2-CD2 4.04Å; I57-F62 HydrophobicContact CG2-CE2 3.32Å; I57-F62 HydrophobicContact CG2-CZ 3.67Å | ||
| 58 | T | 58.7 | Low | 48.3 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 46% | 0.46 | 67% | 0.667 | S | S | . | * | trans | -87 | 153.3 | 171.1 | 63 | 0 | 0 | 0 | 0 | 109.1 | R56 M60 D61 | R56-T58 PolarHBondContact O-N 2.93Å; R56-T58 VanDerWaalsContact O-N 3.17Å; T58-M60 PolarHBondContact O-N 2.67Å; T58-D61 PolarHBondContact N-OD2 3.49Å; T58-D61 WeakPolarHBondContact O-CB 3.01Å; T58-D61 PolarHBondContact O-N 3.31Å; T58-D61 PolarHBondContact OG1-OD2 3.03Å | ||
| 59 | L | 57.8 | Low | 49.2 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -55.5 | -27.4 | 178.2 | -117.6 | 166.8 | 0 | 0 | 0 | 112.3 | F62 | L59-F62 PolarHBondContact O-N 2.94Š|
| 60 | M | 54.4 | Low | 49.3 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 77% | 0.768 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -69.9 | -27.7 | 176.5 | -144.6 | 103.4 | 85.6 | 0 | 0 | 113.2 | T58 F62 F63 | T58-M60 PolarHBondContact O-N 2.67Å; M60-F62 PolarHBondContact O-N 3.36Å; M60-F63 PolarHBondContact O-N 3.48Å |
| 61 | D | 55.5 | Low | 49.9 | Very low | 48 Ų | 48 | 132.7 Ų | 132.7 | 26% | 0.257 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -68.6 | -19.6 | 178.5 | -79.9 | -74.8 | 0 | 0 | 0 | 113.2 | T58 F63 K67 | T58-D61 PolarHBondContact N-OD2 3.49Å; T58-D61 WeakPolarHBondContact O-CB 3.01Å; T58-D61 PolarHBondContact O-N 3.31Å; T58-D61 PolarHBondContact OG1-OD2 3.03Å; D61-F63 VanDerWaalsContact C-N 3.31Å; D61-K67 IonicContact OD1-NZ 2.63Å; D61-K67 PolarHBondContact OD1-NZ 2.04Å |
| 62 | F | 56.3 | Low | 50 | Low | 140 Ų | 140 | 133.6 Ų | 133.6 | 61% | 0.614 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -75.9 | -20.4 | 176 | -74.2 | -80.7 | 0 | 0 | 0 | 113.1 | I57 L59 M60 | I57-F62 HydrophobicContact CG2-CD2 4.04Å; I57-F62 HydrophobicContact CG2-CE2 3.32Å; I57-F62 HydrophobicContact CG2-CZ 3.67Å; L59-F62 PolarHBondContact O-N 2.94Å; M60-F62 PolarHBondContact O-N 3.36Å |
| 63 | F | 54.6 | Low | 50.4 | Low | 155 Ų | 155 | 139.1 Ų | 139.1 | 68% | 0.68 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -100 | -2 | 179.9 | -69.1 | -80.8 | 0 | 0 | 0 | 113.3 | M60 D61 V65 | M60-F63 PolarHBondContact O-N 3.48Å; D61-F63 VanDerWaalsContact C-N 3.31Å; F63-V65 PolarHBondContact O-N 3.19Å; F63-V65 VanDerWaalsContact O-N 3.08Å |
| 64 | D | 48.6 | Very low | 50.3 | Low | 60 Ų | 60 | 138.8 Ų | 138.8 | 32% | 0.321 | 66% | 0.661 | S | S | . | * | trans | -81.9 | 91.5 | 179 | -158.4 | -4.4 | 0 | 0 | 0 | 110.8 | R66 K67 | D64-R66 PolarHBondContact O-N 3.04Å; D64-R66 IonicContact OD1-NE 3.39Å; D64-K67 PolarHBondContact O-N 3.18Å; D64-K67 VanDerWaalsContact O-N 3.14Å | ||
| 65 | V | 52.3 | Low | 50.4 | Low | 120 Ų | 120 | 139.8 Ų | 139.8 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -56.7 | -19.4 | -179.1 | -169.9 | 0 | 0 | 0 | 0 | 112.4 | F63 K67 | F63-V65 PolarHBondContact O-N 3.19Å; F63-V65 VanDerWaalsContact O-N 3.08Å; V65-K67 VanDerWaalsContact C-N 3.32Å; V65-K67 PolarHBondContact O-N 3.3Å |
| 66 | R | 51.5 | Low | 49.9 | Very low | 203 Ų | 203 | 137 Ų | 137 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -73.4 | -17.7 | -180 | -67 | -173 | -75.3 | -170 | -4 | 114.3 | D64 | D64-R66 PolarHBondContact O-N 3.04Å; D64-R66 IonicContact OD1-NE 3.39Å |
| 67 | K | 50.4 | Low | 49.5 | Very low | 88 Ų | 88 | 132.3 Ų | 132.3 | 38% | 0.383 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -82 | -12.9 | -179.1 | -130.5 | 172.6 | -169.6 | 166.6 | 0 | 113.7 | D61 D64 V65 | D61-K67 IonicContact OD1-NZ 2.63Å; D61-K67 PolarHBondContact OD1-NZ 2.04Å; D64-K67 PolarHBondContact O-N 3.18Å; D64-K67 VanDerWaalsContact O-N 3.14Å; V65-K67 VanDerWaalsContact C-N 3.32Å; V65-K67 PolarHBondContact O-N 3.3Å |
| 68 | F | 49.2 | Very low | 48.7 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 69% | 0.689 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -87.2 | -9.3 | -178.6 | -75 | -81.1 | 0 | 0 | 0 | 114.2 | ||
| 69 | Q | 46.8 | Very low | 48.1 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 84% | 0.841 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -86.3 | -13.5 | -178 | -93.6 | -173.2 | -21.9 | 0 | 0 | 114.9 | ||
| 70 | S | 46.2 | Very low | 47.7 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -104.3 | 15.2 | -166 | 74.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 71 | S | 42.6 | Very low | 47.2 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -116.7 | 97.1 | 172.6 | -170 | 0 | 0 | 0 | 0 | 108.8 | R73 | S71-R73 PolarHBondContact O-N 3.22Š|
| 72 | H | 46.5 | Very low | 46.7 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 82% | 0.815 | 71% | 0.709 | S | S | * | * | trans | -35.4 | 103.2 | 162.6 | -97.3 | -84.3 | 0 | 0 | 0 | 110 | ||||
| 73 | R | 43.1 | Very low | 46.2 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | -111.8 | 108.9 | 157.4 | -67.9 | -139.8 | -113.8 | -146.5 | 1.5 | 105.8 | S71 F75 | S71-R73 PolarHBondContact O-N 3.22Å; R73-F75 VanDerWaalsContact O-CD2 3.25Å; R73-F75 WeakPolarHBondContact O-CD2 3.48Å; R73-F75 PolarHBondContact O-N 2.9Å | ||
| 74 | D | 39.9 | Very low | 45.9 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | trans | -54.5 | 111.1 | -179.5 | -60.7 | -46.4 | 0 | 0 | 0 | 109.5 | V76 | D74-V76 PolarHBondContact O-N 3.25Š| ||
| 75 | F | 42.3 | Very low | 45.9 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | trans | -77 | 98 | 172.9 | -75.7 | -89.7 | 0 | 0 | 0 | 108 | R73 V77 V84 | R73-F75 VanDerWaalsContact O-CD2 3.25Å; R73-F75 WeakPolarHBondContact O-CD2 3.48Å; R73-F75 PolarHBondContact O-N 2.9Å; F75-V77 PolarHBondContact O-N 3.25Å; F75-V77 VanDerWaalsContact O-N 3.1Å; F75-V84 HydrophobicContact CE1-CG1 4.45Å; F75-V84 HydrophobicContact CE1-CG2 3.91Å | ||
| 76 | V | 40.8 | Very low | 45.9 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | trans | -72.7 | 98.9 | 159.9 | 178.5 | 0 | 0 | 0 | 0 | 106.8 | D74 N78 | D74-V76 PolarHBondContact O-N 3.25Å; V76-N78 PolarHBondContact O-N 3.5Å; V76-N78 VanDerWaalsContact O-N 3.15Å | ||
| 77 | V | 43.9 | Very low | 46.1 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -70.2 | 102.1 | 168.5 | 176.1 | 0 | 0 | 0 | 0 | 107.1 | F75 | F75-V77 PolarHBondContact O-N 3.25Å; F75-V77 VanDerWaalsContact O-N 3.1Å | ||
| 78 | N | 40.9 | Very low | 46.3 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | trans | -110.6 | 116.5 | 163.4 | -158 | 15.8 | 0 | 0 | 0 | 108.1 | V76 | V76-N78 PolarHBondContact O-N 3.5Å; V76-N78 VanDerWaalsContact O-N 3.15Å | ||
| 79 | D | 47.1 | Very low | 46.8 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.1 | 55 | 167.2 | -68.6 | -22.7 | 0 | 0 | 0 | 118.7 | R81 | D79-R81 PolarHBondContact O-N 3.21Š|
| 80 | G | 48.3 | Very low | 47.5 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.3 | 6.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 81 | R | 44.5 | Very low | 48.5 | Very low | 226 Ų | 226 | 128.9 Ų | 128.9 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | trans | -111.1 | 99.7 | -179.6 | -131.8 | 177.9 | 175 | -177.1 | -2.1 | 109.4 | D79 H83 | D79-R81 PolarHBondContact O-N 3.21Å; R81-H83 PolarHBondContact O-N 2.99Å | ||
| 82 | L | 44.4 | Very low | 49.6 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | trans | -54 | 94.8 | 178.6 | -170.6 | 80.6 | 0 | 0 | 0 | 111.2 | V84 V85 | L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 HydrophobicContact CD1-CB 4.49Å; L82-V84 HydrophobicContact CD1-CG2 4.45Å; L82-V85 HydrophobicContact CD2-CG2 3.55Å; L82-V85 HydrophobicContact CG-CG2 4.17Å | ||
| 83 | H | 46.8 | Very low | 50.6 | Low | 154 Ų | 154 | 123.3 Ų | 123.3 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | trans | -91.3 | 16.4 | 176.6 | -128.2 | -88.5 | 0 | 0 | 0 | 113 | R81 | R81-H83 PolarHBondContact O-N 2.99Š| ||
| 84 | V | 48.8 | Very low | 51.9 | Low | 56 Ų | 56 | 118.7 Ų | 118.7 | 34% | 0.339 | 65% | 0.646 | S | S | . | * | trans | -96.1 | -5 | -170.3 | -170.1 | 0 | 0 | 0 | 0 | 112.6 | F75 L82 Y88 | F75-V84 HydrophobicContact CE1-CG1 4.45Å; F75-V84 HydrophobicContact CE1-CG2 3.91Å; L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 HydrophobicContact CD1-CB 4.49Å; L82-V84 HydrophobicContact CD1-CG2 4.45Å; V84-Y88 HydrophobicContact CG1-CE2 3.91Å; V84-Y88 VanDerWaalsContact O-CD2 3.24Å; V84-Y88 WeakPolarHBondContact O-CD2 3.29Å | ||
| 85 | V | 48 | Very low | 53.6 | Low | 95 Ų | 95 | 115.1 Ų | 115.1 | 58% | 0.576 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -93.3 | -18.9 | -172.7 | -173.2 | 0 | 0 | 0 | 0 | 113.4 | L82 | L82-V85 HydrophobicContact CD2-CG2 3.55Å; L82-V85 HydrophobicContact CG-CG2 4.17Å |
| 86 | S | 52.3 | Low | 55.4 | Low | 82 Ų | 82 | 112.3 Ų | 112.3 | 57% | 0.573 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.5 | -36.1 | -174.9 | -59.4 | 0 | 0 | 0 | 0 | 113.7 | L90 | S86-L90 PolarHBondContact O-N 3.48Å |
| 87 | D | 55.1 | Low | 57.3 | Low | 107 Ų | 107 | 110.6 Ų | 110.6 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.3 | -29.6 | -171 | -63.8 | -27.3 | 0 | 0 | 0 | 113 | I91 | D87-I91 VanDerWaalsContact O-CD1 3.32Å; D87-I91 WeakPolarHBondContact O-CD1 3.41Å; D87-I91 VanDerWaalsContact O-CG1 3.3Å; D87-I91 WeakPolarHBondContact O-CG1 3.09Å; D87-I91 PolarHBondContact O-N 3.35Å |
| 88 | Y | 55 | Low | 59 | Low | 158 Ų | 158 | 109.9 Ų | 109.9 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.5 | -32.6 | 176.6 | -69.1 | -86.7 | 0 | 0 | 0 | 112.6 | V84 A92 | V84-Y88 HydrophobicContact CG1-CE2 3.91Å; V84-Y88 VanDerWaalsContact O-CD2 3.24Å; V84-Y88 WeakPolarHBondContact O-CD2 3.29Å; Y88-A92 PolarHBondContact O-N 3.26Å |
| 89 | S | 59.5 | Low | 61.1 | Low | 72 Ų | 72 | 107.8 Ų | 107.8 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.3 | -35.1 | 176.3 | -171.3 | 0 | 0 | 0 | 0 | 112 | A92 L93 | S89-A92 PolarHBondContact O-N 3.29Å; S89-L93 WeakPolarHBondContact O-CG 3.04Å; S89-L93 PolarHBondContact O-N 2.01Å |
| 90 | L | 62.2 | Low | 62.9 | Low | 116 Ų | 116 | 102.6 Ų | 102.6 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.3 | -41.2 | 178.5 | -161.4 | 84.1 | 0 | 0 | 0 | 111.4 | S86 A92 L93 L94 | S86-L90 PolarHBondContact O-N 3.48Å; L90-A92 VanDerWaalsContact C-N 3.31Å; L90-A92 PolarHBondContact O-N 3.49Å; L90-L93 PolarHBondContact O-N 3.42Å; L90-L94 PolarHBondContact O-N 3.4Å |
| 91 | I | 65.6 | Low | 64.6 | Low | 117 Ų | 117 | 103.7 Ų | 103.7 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.7 | -36.6 | 176.8 | -68.8 | 163 | 0 | 0 | 0 | 111 | D87 L93 L94 | D87-I91 VanDerWaalsContact O-CD1 3.32Å; D87-I91 WeakPolarHBondContact O-CD1 3.41Å; D87-I91 VanDerWaalsContact O-CG1 3.3Å; D87-I91 WeakPolarHBondContact O-CG1 3.09Å; D87-I91 PolarHBondContact O-N 3.35Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 2.98Å; I91-L94 VanDerWaalsContact O-CB 3.31Å; I91-L94 WeakPolarHBondContact O-CB 2.88Å; I91-L94 PolarHBondContact O-N 3.27Å |
| 92 | A | 66.9 | Low | 66.6 | Low | 68 Ų | 68 | 97.6 Ų | 97.6 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.2 | -26 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y88 S89 L90 P95 | Y88-A92 PolarHBondContact O-N 3.26Å; S89-A92 PolarHBondContact O-N 3.29Å; L90-A92 VanDerWaalsContact C-N 3.31Å; L90-A92 PolarHBondContact O-N 3.49Å; A92-P95 WeakPolarHBondContact O-CD 3.28Å |
| 93 | L | 66.4 | Low | 68.6 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 45% | 0.445 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -86.1 | -17.4 | 177.8 | -69.5 | 171.3 | 0 | 0 | 0 | 113.3 | S89 L90 I91 V96 I97 | S89-L93 WeakPolarHBondContact O-CG 3.04Å; S89-L93 PolarHBondContact O-N 2.01Å; L90-L93 PolarHBondContact O-N 3.42Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 2.98Å; L93-V96 WeakPolarHBondContact O-CB 3.37Å; L93-V96 PolarHBondContact O-N 3.41Å; L93-I97 HydrophobicContact CB-CD1 4.22Å; L93-I97 WeakPolarHBondContact O-CG1 3.17Å; L93-I97 PolarHBondContact O-N 3.31Å |
| 94 | L | 70.9 | Confident | 70.4 | Confident | 114 Ų | 114 | 91.4 Ų | 91.4 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -49.9 | -48.2 | 178 | -156.7 | 89.7 | 0 | 0 | 0 | 114.1 | L90 I91 V96 I97 L98 | L90-L94 PolarHBondContact O-N 3.4Å; I91-L94 VanDerWaalsContact O-CB 3.31Å; I91-L94 WeakPolarHBondContact O-CB 2.88Å; I91-L94 PolarHBondContact O-N 3.27Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-V96 PolarHBondContact O-N 3.14Å; L94-I97 PolarHBondContact O-N 2.95Å; L94-L98 WeakPolarHBondContact O-CB 2.98Å; L94-L98 PolarHBondContact O-N 2.93Å |
| 95 | P | 75.7 | Confident | 72 | Confident | 66 Ų | 66 | 92.7 Ų | 92.7 | 43% | 0.429 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 178.1 | 25.2 | -35 | 0 | 0 | 0 | 112.7 | A92 L98 V99 | A92-P95 WeakPolarHBondContact O-CD 3.28Å; P95-L98 PolarHBondContact O-N 3.05Å; P95-V99 VanDerWaalsContact O-CG2 3.3Å; P95-V99 WeakPolarHBondContact O-CG2 3.27Å; P95-V99 PolarHBondContact O-N 3.44Å |
| 96 | V | 79.8 | Confident | 73.7 | Confident | 96 Ų | 96 | 91.9 Ų | 91.9 | 58% | 0.582 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.2 | -42.8 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | L93 L94 L98 V99 G100 | L93-V96 WeakPolarHBondContact O-CB 3.37Å; L93-V96 PolarHBondContact O-N 3.41Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-V96 PolarHBondContact O-N 3.14Å; V96-L98 VanDerWaalsContact C-N 3.34Å; V96-V99 PolarHBondContact O-N 2.97Å; V96-G100 PolarHBondContact O-N 3.39Å |
| 97 | I | 81.3 | Confident | 75 | Confident | 95 Ų | 95 | 94.4 Ų | 94.4 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.8 | -64.5 | 164.9 | 0 | 0 | 0 | 110.2 | L93 L94 V99 G100 L101 | L93-I97 HydrophobicContact CB-CD1 4.22Å; L93-I97 WeakPolarHBondContact O-CG1 3.17Å; L93-I97 PolarHBondContact O-N 3.31Å; L94-I97 PolarHBondContact O-N 2.95Å; I97-V99 PolarHBondContact O-N 2.76Å; I97-G100 PolarHBondContact O-N 3.4Å; I97-L101 HydrophobicContact CG2-CD1 4.2Å; I97-L101 HydrophobicContact CG2-CG 4.44Å; I97-L101 WeakPolarHBondContact O-CG 3.04Å; I97-L101 PolarHBondContact O-N 3.5Å |
| 98 | L | 79.8 | Confident | 76.1 | Confident | 111 Ų | 111 | 93.3 Ų | 93.3 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 179.2 | -165.4 | 127.4 | 0 | 0 | 0 | 112.1 | L94 P95 V96 L101 L102 | L94-L98 WeakPolarHBondContact O-CB 2.98Å; L94-L98 PolarHBondContact O-N 2.93Å; P95-L98 PolarHBondContact O-N 3.05Å; V96-L98 VanDerWaalsContact C-N 3.34Å; L98-L101 PolarHBondContact O-N 3.05Å; L98-L102 WeakPolarHBondContact O-CB 3.29Å; L98-L102 PolarHBondContact O-N 3.18Å |
| 99 | V | 85.2 | Confident | 76.9 | Confident | 83 Ų | 83 | 89.9 Ų | 89.9 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 173.2 | 172.9 | 0 | 0 | 0 | 0 | 111 | P95 V96 I97 L101 L102 I103 | P95-V99 VanDerWaalsContact O-CG2 3.3Å; P95-V99 WeakPolarHBondContact O-CG2 3.27Å; P95-V99 PolarHBondContact O-N 3.44Å; V96-V99 PolarHBondContact O-N 2.97Å; I97-V99 PolarHBondContact O-N 2.76Å; V99-L101 PolarHBondContact O-N 3.18Å; V99-L102 PolarHBondContact O-N 2.91Å; V99-I103 HydrophobicContact CG1-CD1 3.81Å; V99-I103 HydrophobicContact CG1-CG1 4.44Å; V99-I103 WeakPolarHBondContact O-CG1 3.29Å; V99-I103 PolarHBondContact O-N 2.63Å |
| 100 | G | 85.1 | Confident | 77.5 | Confident | 33 Ų | 33 | 94.5 Ų | 94.5 | 34% | 0.34 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V96 I97 L102 T104 | V96-G100 PolarHBondContact O-N 3.39Å; I97-G100 PolarHBondContact O-N 3.4Å; G100-L102 VanDerWaalsContact C-N 3.35Å; G100-T104 PolarHBondContact O-N 2.85Å; G100-T104 PolarHBondContact O-OG1 3.36Å |
| 101 | L | 84 | Confident | 77.5 | Confident | 105 Ų | 105 | 97.7 Ų | 97.7 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 174.9 | -72.4 | 176.4 | 0 | 0 | 0 | 112.3 | I97 L98 V99 T104 T105 | I97-L101 HydrophobicContact CG2-CD1 4.2Å; I97-L101 HydrophobicContact CG2-CG 4.44Å; I97-L101 WeakPolarHBondContact O-CG 3.04Å; I97-L101 PolarHBondContact O-N 3.5Å; L98-L101 PolarHBondContact O-N 3.05Å; V99-L101 PolarHBondContact O-N 3.18Å; L101-T104 VanDerWaalsContact CA-OG1 3.25Å; L101-T104 WeakPolarHBondContact CA-OG1 3.27Å; L101-T104 PolarHBondContact O-OG1 3.07Å; L101-T104 VanDerWaalsContact O-OG1 3.07Å; L101-T105 VanDerWaalsContact O-CB 3.28Å; L101-T105 WeakPolarHBondContact O-CB 3.2Å; L101-T105 PolarHBondContact O-N 3.12Å; L101-T105 PolarHBondContact O-OG1 2.85Å |
| 102 | L | 86 | Confident | 77.4 | Confident | 99 Ų | 99 | 97.9 Ų | 97.9 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 179.3 | -161 | 143.2 | 0 | 0 | 0 | 111 | L98 V99 G100 T105 I106 | L98-L102 WeakPolarHBondContact O-CB 3.29Å; L98-L102 PolarHBondContact O-N 3.18Å; V99-L102 PolarHBondContact O-N 2.91Å; G100-L102 VanDerWaalsContact C-N 3.35Å; L102-T105 PolarHBondContact O-N 3.16Å; L102-I106 HydrophobicContact CD2-CD1 3.54Å; L102-I106 VanDerWaalsContact O-CG1 3.23Å; L102-I106 WeakPolarHBondContact O-CG1 3.01Å; L102-I106 PolarHBondContact O-N 2.75Å |
| 103 | I | 85.6 | Confident | 77.1 | Confident | 85 Ų | 85 | 102.8 Ų | 102.8 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.3 | -64.2 | 166 | 0 | 0 | 0 | 110.8 | V99 T105 I106 F107 | V99-I103 HydrophobicContact CG1-CD1 3.81Å; V99-I103 HydrophobicContact CG1-CG1 4.44Å; V99-I103 WeakPolarHBondContact O-CG1 3.29Å; V99-I103 PolarHBondContact O-N 2.63Å; I103-T105 PolarHBondContact O-N 3.3Å; I103-I106 PolarHBondContact O-N 3.39Å; I103-F107 HydrophobicContact CG2-CD2 3.8Å; I103-F107 HydrophobicContact CG2-CE2 4.01Å; I103-F107 WeakPolarHBondContact O-CD2 3.4Å; I103-F107 PolarHBondContact O-N 2.8Å |
| 104 | T | 85.1 | Confident | 76.7 | Confident | 76 Ų | 76 | 107.4 Ų | 107.4 | 47% | 0.466 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 179 | 39.6 | 0 | 0 | 0 | 0 | 112.1 | G100 L101 I106 F107 C108 | G100-T104 PolarHBondContact O-N 2.85Å; G100-T104 PolarHBondContact O-OG1 3.36Å; L101-T104 VanDerWaalsContact CA-OG1 3.25Å; L101-T104 WeakPolarHBondContact CA-OG1 3.27Å; L101-T104 PolarHBondContact O-OG1 3.07Å; L101-T104 VanDerWaalsContact O-OG1 3.07Å; T104-I106 PolarHBondContact O-N 3.36Å; T104-F107 PolarHBondContact O-N 3.48Å; T104-C108 VanDerWaalsContact O-CB 3.32Å; T104-C108 WeakPolarHBondContact O-CB 3.25Å; T104-C108 PolarHBondContact O-N 3.17Å; T104-C108 PolarHBondContact O-SG 3.12Å |
| 105 | T | 81.9 | Confident | 75.9 | Confident | 84 Ų | 84 | 108.3 Ų | 108.3 | 52% | 0.515 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L101 L102 I103 C108 V109 | L101-T105 VanDerWaalsContact O-CB 3.28Å; L101-T105 WeakPolarHBondContact O-CB 3.2Å; L101-T105 PolarHBondContact O-N 3.12Å; L101-T105 PolarHBondContact O-OG1 2.85Å; L102-T105 PolarHBondContact O-N 3.16Å; I103-T105 PolarHBondContact O-N 3.3Å; T105-C108 PolarHBondContact O-N 3.07Å; T105-V109 VanDerWaalsContact O-CG2 3.31Å; T105-V109 WeakPolarHBondContact O-CG2 3.44Å; T105-V109 PolarHBondContact O-N 3.11Å |
| 106 | I | 83.3 | Confident | 74.9 | Confident | 77 Ų | 77 | 110.9 Ų | 110.9 | 40% | 0.395 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 175.7 | -68.9 | 168.8 | 0 | 0 | 0 | 110.3 | L102 I103 T104 C108 V109 Y110 | L102-I106 HydrophobicContact CD2-CD1 3.54Å; L102-I106 VanDerWaalsContact O-CG1 3.23Å; L102-I106 WeakPolarHBondContact O-CG1 3.01Å; L102-I106 PolarHBondContact O-N 2.75Å; I103-I106 PolarHBondContact O-N 3.39Å; T104-I106 PolarHBondContact O-N 3.36Å; I106-C108 VanDerWaalsContact C-N 3.33Å; I106-C108 PolarHBondContact O-N 3.49Å; I106-V109 PolarHBondContact O-N 3.46Å; I106-Y110 HydrophobicContact CG2-CD2 3.52Å; I106-Y110 HydrophobicContact CG2-CE2 3.44Å; I106-Y110 VanDerWaalsContact CG2-CE2 3.44Å; I106-Y110 WeakPolarHBondContact O-CD2 3.36Å; I106-Y110 PolarHBondContact O-N 3.29Å |
| 107 | F | 80.3 | Confident | 73.6 | Confident | 136 Ų | 136 | 111.9 Ų | 111.9 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.5 | -41 | 177.5 | -97.3 | -89.4 | 0 | 0 | 0 | 113 | I103 T104 Y110 R111 | I103-F107 HydrophobicContact CG2-CD2 3.8Å; I103-F107 HydrophobicContact CG2-CE2 4.01Å; I103-F107 WeakPolarHBondContact O-CD2 3.4Å; I103-F107 PolarHBondContact O-N 2.8Å; T104-F107 PolarHBondContact O-N 3.48Å; F107-Y110 PolarHBondContact O-N 3.23Å; F107-R111 VanDerWaalsContact O-CB 3.3Å; F107-R111 WeakPolarHBondContact O-CB 3.29Å; F107-R111 WeakPolarHBondContact O-CG 3.34Å; F107-R111 PolarHBondContact O-N 2.91Å |
| 108 | C | 77.5 | Confident | 72.1 | Confident | 84 Ų | 84 | 111 Ų | 111 | 57% | 0.568 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 175.3 | -76.6 | 0 | 0 | 0 | 0 | 111.4 | T104 T105 I106 R111 F112 | T104-C108 VanDerWaalsContact O-CB 3.32Å; T104-C108 WeakPolarHBondContact O-CB 3.25Å; T104-C108 PolarHBondContact O-N 3.17Å; T104-C108 PolarHBondContact O-SG 3.12Å; T105-C108 PolarHBondContact O-N 3.07Å; I106-C108 VanDerWaalsContact C-N 3.33Å; I106-C108 PolarHBondContact O-N 3.49Å; C108-R111 PolarHBondContact O-N 2.93Å; C108-F112 WeakPolarHBondContact O-CB 3.23Å; C108-F112 PolarHBondContact O-N 3.28Å |
| 109 | V | 73.1 | Confident | 70.7 | Confident | 85 Ų | 85 | 110.8 Ų | 110.8 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | T105 I106 F112 R113 | T105-V109 VanDerWaalsContact O-CG2 3.31Å; T105-V109 WeakPolarHBondContact O-CG2 3.44Å; T105-V109 PolarHBondContact O-N 3.11Å; I106-V109 PolarHBondContact O-N 3.46Å; V109-F112 PolarHBondContact O-N 2.87Å; V109-R113 VanDerWaalsContact O-CB 3.28Å; V109-R113 WeakPolarHBondContact O-CB 3.16Å; V109-R113 PolarHBondContact O-N 3.2Å |
| 110 | Y | 71.6 | Confident | 69.1 | Low | 169 Ų | 169 | 113.3 Ų | 113.3 | 66% | 0.663 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -45.2 | 175.8 | -86.7 | -76.1 | 0 | 0 | 0 | 112.3 | I106 F107 F112 R113 R114 | I106-Y110 HydrophobicContact CG2-CD2 3.52Å; I106-Y110 HydrophobicContact CG2-CE2 3.44Å; I106-Y110 VanDerWaalsContact CG2-CE2 3.44Å; I106-Y110 WeakPolarHBondContact O-CD2 3.36Å; I106-Y110 PolarHBondContact O-N 3.29Å; F107-Y110 PolarHBondContact O-N 3.23Å; Y110-F112 VanDerWaalsContact C-N 3.34Å; Y110-R113 PolarHBondContact O-N 3.13Å; Y110-R114 WeakPolarHBondContact O-CB 3.39Å; Y110-R114 PolarHBondContact O-N 3.07Å |
| 111 | R | 63.2 | Low | 67.4 | Low | 183 Ų | 183 | 116.1 Ų | 116.1 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 174.9 | -81.1 | -89.5 | 167.7 | 107 | -6.6 | 111.2 | F107 C108 R114 W115 | F107-R111 VanDerWaalsContact O-CB 3.3Å; F107-R111 WeakPolarHBondContact O-CB 3.29Å; F107-R111 WeakPolarHBondContact O-CG 3.34Å; F107-R111 PolarHBondContact O-N 2.91Å; C108-R111 PolarHBondContact O-N 2.93Å; R111-R114 PolarHBondContact O-N 2.95Å; R111-W115 VanDerWaalsContact O-CB 3.27Å; R111-W115 WeakPolarHBondContact O-CB 3.44Å; R111-W115 PolarHBondContact O-N 3.16Å |
| 112 | F | 62.7 | Low | 65.6 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 53% | 0.531 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 178.1 | -175 | -99.5 | 0 | 0 | 0 | 112.1 | C108 V109 Y110 W115 K116 | C108-F112 WeakPolarHBondContact O-CB 3.23Å; C108-F112 PolarHBondContact O-N 3.28Å; V109-F112 PolarHBondContact O-N 2.87Å; Y110-F112 VanDerWaalsContact C-N 3.34Å; F112-W115 HydrophobicContact CD2-CE3 4.13Å; F112-W115 HydrophobicContact CD2-CZ3 4.43Å; F112-W115 HydrophobicContact CE2-CE3 4.09Å; F112-W115 HydrophobicContact CE2-CZ3 4.05Å; F112-W115 PolarHBondContact O-N 3.22Å; F112-K116 WeakPolarHBondContact O-CB 3.31Å; F112-K116 PolarHBondContact O-N 2.85Å |
| 113 | R | 60.8 | Low | 64 | Low | 172 Ų | 172 | 114.6 Ų | 114.6 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66 | -42.9 | 176.9 | -160.1 | 171.8 | -178.2 | 166 | -0.3 | 110.9 | V109 Y110 W115 K116 H117 | V109-R113 VanDerWaalsContact O-CB 3.28Å; V109-R113 WeakPolarHBondContact O-CB 3.16Å; V109-R113 PolarHBondContact O-N 3.2Å; Y110-R113 PolarHBondContact O-N 3.13Å; R113-W115 VanDerWaalsContact C-N 3.33Å; R113-W115 PolarHBondContact O-N 3.37Å; R113-K116 PolarHBondContact O-N 3.5Å; R113-H117 PolarHBondContact O-CD2 2.9Å; R113-H117 PolarHBondContact O-N 2.93Å; R113-H117 VanDerWaalsContact O-N 3.13Å |
| 114 | R | 57.8 | Low | 62.3 | Low | 181 Ų | 181 | 117.2 Ų | 117.2 | 68% | 0.683 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 172.5 | -171.6 | 172.7 | -178.1 | 174.4 | -1.5 | 111.8 | Y110 R111 H117 N118 | Y110-R114 WeakPolarHBondContact O-CB 3.39Å; Y110-R114 PolarHBondContact O-N 3.07Å; R111-R114 PolarHBondContact O-N 2.95Å; R114-H117 PolarHBondContact O-N 3.45Å; R114-N118 PolarHBondContact O-N 3.23Å; R114-N118 VanDerWaalsContact O-N 3.12Å; R114-N118 PolarHBondContact O-ND2 3.37Å |
| 115 | W | 53.8 | Low | 60.6 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 176.1 | -172.8 | 66.2 | 0 | 0 | 0 | 113 | R111 F112 R113 H117 N118 K119 | R111-W115 VanDerWaalsContact O-CB 3.27Å; R111-W115 WeakPolarHBondContact O-CB 3.44Å; R111-W115 PolarHBondContact O-N 3.16Å; F112-W115 HydrophobicContact CD2-CE3 4.13Å; F112-W115 HydrophobicContact CD2-CZ3 4.43Å; F112-W115 HydrophobicContact CE2-CE3 4.09Å; F112-W115 HydrophobicContact CE2-CZ3 4.05Å; F112-W115 PolarHBondContact O-N 3.22Å; R113-W115 VanDerWaalsContact C-N 3.33Å; R113-W115 PolarHBondContact O-N 3.37Å; W115-H117 VanDerWaalsContact C-N 3.34Å; W115-H117 PolarHBondContact O-N 2.85Å; W115-N118 PolarHBondContact O-N 3.03Å; W115-K119 HydrophobicContact CD2-CD 4.03Å; W115-K119 HydrophobicContact CD2-CG 4.46Å; W115-K119 VanDerWaalsContact CE2-CE 3.45Å; W115-K119 HydrophobicContact CE3-CD 4.08Å; W115-K119 HydrophobicContact CH2-CD 4.15Å; W115-K119 VanDerWaalsContact CH2-CE 3.45Å; W115-K119 HydrophobicContact CZ2-CD 4.02Å; W115-K119 HydrophobicContact CZ3-CD 4.12Å; W115-K119 PolarHBondContact O-N 3.18Å |
| 116 | K | 55.6 | Low | 59.2 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 175.9 | -169.8 | 177.6 | -178.8 | 179.5 | 0 | 112 | F112 R113 K120 | F112-K116 WeakPolarHBondContact O-CB 3.31Å; F112-K116 PolarHBondContact O-N 2.85Å; R113-K116 PolarHBondContact O-N 3.5Å; K116-K120 PolarHBondContact O-N 3.03Å |
| 117 | H | 51.6 | Low | 57.9 | Low | 118 Ų | 118 | 114.1 Ų | 114.1 | 55% | 0.546 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -44 | 172.9 | -84.8 | -84.5 | 0 | 0 | 0 | 112.1 | R113 R114 W115 K119 K120 Q121 | R113-H117 PolarHBondContact O-CD2 2.9Å; R113-H117 PolarHBondContact O-N 2.93Å; R113-H117 VanDerWaalsContact O-N 3.13Å; R114-H117 PolarHBondContact O-N 3.45Å; W115-H117 VanDerWaalsContact C-N 3.34Å; W115-H117 PolarHBondContact O-N 2.85Å; H117-K119 VanDerWaalsContact C-N 3.3Å; H117-K119 PolarHBondContact O-N 3.27Å; H117-K120 PolarHBondContact O-N 3.43Å; H117-Q121 WeakPolarHBondContact O-CG 3.23Å; H117-Q121 PolarHBondContact O-N 3.31Å |
| 118 | N | 49.5 | Very low | 56.6 | Low | 77 Ų | 77 | 110.6 Ų | 110.6 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 176.2 | -71.1 | -23.3 | 0 | 0 | 0 | 112.6 | R114 W115 Q121 L122 | R114-N118 PolarHBondContact O-N 3.23Å; R114-N118 VanDerWaalsContact O-N 3.12Å; R114-N118 PolarHBondContact O-ND2 3.37Å; W115-N118 PolarHBondContact O-N 3.03Å; N118-Q121 PolarHBondContact O-N 2.94Å; N118-L122 WeakPolarHBondContact O-CB 3.44Å; N118-L122 PolarHBondContact O-N 3.03Å |
| 119 | K | 50.8 | Low | 55.4 | Low | 106 Ų | 106 | 108.9 Ų | 108.9 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 176.8 | -84.6 | -172.2 | 156.5 | -175.1 | 0 | 113.8 | W115 H117 L122 A123 | W115-K119 HydrophobicContact CD2-CD 4.03Å; W115-K119 HydrophobicContact CD2-CG 4.46Å; W115-K119 VanDerWaalsContact CE2-CE 3.45Å; W115-K119 HydrophobicContact CE3-CD 4.08Å; W115-K119 HydrophobicContact CH2-CD 4.15Å; W115-K119 VanDerWaalsContact CH2-CE 3.45Å; W115-K119 HydrophobicContact CZ2-CD 4.02Å; W115-K119 HydrophobicContact CZ3-CD 4.12Å; W115-K119 PolarHBondContact O-N 3.18Å; H117-K119 VanDerWaalsContact C-N 3.3Å; H117-K119 PolarHBondContact O-N 3.27Å; K119-L122 PolarHBondContact O-N 2.84Å; K119-A123 WeakPolarHBondContact O-CB 3.45Å; K119-A123 PolarHBondContact O-N 3.48Å |
| 120 | K | 51.8 | Low | 54.3 | Low | 136 Ų | 136 | 111 Ų | 111 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 174.8 | -75 | -172.4 | 173.8 | -167.5 | 0 | 111.2 | K116 H117 L122 A123 E124 | K116-K120 PolarHBondContact O-N 3.03Å; H117-K120 PolarHBondContact O-N 3.43Å; K120-L122 VanDerWaalsContact C-N 3.35Å; K120-L122 PolarHBondContact O-N 3.39Å; K120-A123 PolarHBondContact O-N 2.73Å; K120-E124 PolarHBondContact O-N 3.13Å; K120-E124 VanDerWaalsContact O-N 3.12Å |
| 121 | Q | 48.6 | Very low | 53.4 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 176.1 | -69.2 | 177 | -17.1 | 0 | 0 | 112.5 | H117 N118 L125 | H117-Q121 WeakPolarHBondContact O-CG 3.23Å; H117-Q121 PolarHBondContact O-N 3.31Å; N118-Q121 PolarHBondContact O-N 2.94Å; Q121-L125 WeakPolarHBondContact O-CB 3.33Å; Q121-L125 PolarHBondContact O-N 3.19Å |
| 122 | L | 47.7 | Very low | 52.9 | Low | 111 Ų | 111 | 98.1 Ų | 98.1 | 58% | 0.581 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -71.3 | -31.8 | 176.3 | -168.2 | 65.5 | 0 | 0 | 0 | 112.6 | N118 K119 K120 N126 | N118-L122 WeakPolarHBondContact O-CB 3.44Å; N118-L122 PolarHBondContact O-N 3.03Å; K119-L122 PolarHBondContact O-N 2.84Å; K120-L122 VanDerWaalsContact C-N 3.35Å; K120-L122 PolarHBondContact O-N 3.39Å; L122-N126 VanDerWaalsContact O-CB 3.23Å; L122-N126 WeakPolarHBondContact O-CB 3.37Å; L122-N126 PolarHBondContact O-N 2.95Å |
| 123 | A | 51.1 | Low | 52.1 | Low | 61 Ų | 61 | 100.5 Ų | 100.5 | 50% | 0.504 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.2 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K119 K120 L125 N126 A127 | K119-A123 WeakPolarHBondContact O-CB 3.45Å; K119-A123 PolarHBondContact O-N 3.48Å; K120-A123 PolarHBondContact O-N 2.73Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-N126 PolarHBondContact O-N 3.46Å; A123-A127 WeakPolarHBondContact O-CB 3.48Å; A123-A127 PolarHBondContact O-N 3.3Å |
| 124 | E | 49.8 | Very low | 51.2 | Low | 140 Ų | 140 | 95 Ų | 95 | 65% | 0.654 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.6 | -36.7 | 174.2 | -72.8 | 176.9 | -173.1 | 0 | 0 | 111.7 | K120 F128 | K120-E124 PolarHBondContact O-N 3.13Å; K120-E124 VanDerWaalsContact O-N 3.12Å; E124-F128 PolarHBondContact O-N 3.37Å |
| 125 | L | 51.3 | Low | 50.5 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 24% | 0.241 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.5 | -39.3 | 174.3 | -164.8 | 73.9 | 0 | 0 | 0 | 112.1 | Q121 A123 F128 Y129 V199 | Q121-L125 WeakPolarHBondContact O-CB 3.33Å; Q121-L125 PolarHBondContact O-N 3.19Å; A123-L125 VanDerWaalsContact C-N 3.34Å; L125-F128 WeakPolarHBondContact O-CB 3.44Å; L125-F128 PolarHBondContact O-N 3.19Å; L125-Y129 HydrophobicContact CD1-CE2 4.39Å; L125-Y129 HydrophobicContact CD2-CD2 4.5Å; L125-Y129 HydrophobicContact CD2-CE2 4.01Å; L125-Y129 HydrophobicContact CG-CD2 3.97Å; L125-Y129 HydrophobicContact CG-CE2 3.85Å; L125-Y129 VanDerWaalsContact O-CD2 3.29Å; L125-Y129 WeakPolarHBondContact O-CD2 3.17Å; L125-Y129 PolarHBondContact O-N 3.48Å; L125-V199 HydrophobicContact CD1-CG1 4.46Å; L125-V199 HydrophobicContact CD2-CG2 3.77Å |
| 126 | N | 51.5 | Low | 49.9 | Very low | 83 Ų | 83 | 85.5 Ų | 85.5 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.5 | -170.3 | 65.8 | 0 | 0 | 0 | 111.5 | L122 A123 F128 Y129 E130 | L122-N126 VanDerWaalsContact O-CB 3.23Å; L122-N126 WeakPolarHBondContact O-CB 3.37Å; L122-N126 PolarHBondContact O-N 2.95Å; A123-N126 PolarHBondContact O-N 3.46Å; N126-F128 VanDerWaalsContact C-N 3.3Å; N126-F128 PolarHBondContact O-N 3.07Å; N126-Y129 PolarHBondContact O-N 3.28Å; N126-E130 WeakPolarHBondContact O-CB 3.3Å; N126-E130 PolarHBondContact O-N 3.29Å |
| 127 | A | 55.3 | Low | 49.3 | Very low | 43 Ų | 43 | 81.1 Ų | 81.1 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A123 E130 I131 | A123-A127 WeakPolarHBondContact O-CB 3.48Å; A123-A127 PolarHBondContact O-N 3.3Å; A127-E130 PolarHBondContact O-N 3.4Å; A127-I131 VanDerWaalsContact O-CD1 3.31Å; A127-I131 WeakPolarHBondContact O-CD1 3.21Å; A127-I131 WeakPolarHBondContact O-CG1 3.42Å; A127-I131 PolarHBondContact O-N 3.28Å |
| 128 | F | 53.2 | Low | 49 | Very low | 62 Ų | 62 | 78.1 Ų | 78.1 | 27% | 0.272 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 174.4 | -170.2 | -96.9 | 0 | 0 | 0 | 112.4 | E124 L125 N126 E130 I131 V132 A163 | E124-F128 PolarHBondContact O-N 3.37Å; L125-F128 WeakPolarHBondContact O-CB 3.44Å; L125-F128 PolarHBondContact O-N 3.19Å; N126-F128 VanDerWaalsContact C-N 3.3Å; N126-F128 PolarHBondContact O-N 3.07Å; F128-E130 PolarHBondContact O-N 3.48Å; F128-I131 PolarHBondContact O-N 3.48Å; F128-V132 HydrophobicContact CD1-CG2 3.91Å; F128-V132 HydrophobicContact CE1-CG2 3.61Å; F128-V132 HydrophobicContact CZ-CG2 4.04Å; F128-V132 VanDerWaalsContact O-CG2 3.27Å; F128-V132 WeakPolarHBondContact O-CG2 3.4Å; F128-V132 PolarHBondContact O-N 3.12Å; F128-A163 HydrophobicContact CD2-CB 4.1Å; F128-A163 HydrophobicContact CE2-CB 3.72Å |
| 129 | Y | 52.5 | Low | 48.6 | Very low | 47 Ų | 47 | 79 Ų | 79 | 18% | 0.184 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 174.3 | -89.9 | -75.8 | 0 | 0 | 0 | 112.1 | L125 N126 I131 V132 E133 V190 A193 | L125-Y129 HydrophobicContact CD1-CE2 4.39Å; L125-Y129 HydrophobicContact CD2-CD2 4.5Å; L125-Y129 HydrophobicContact CD2-CE2 4.01Å; L125-Y129 HydrophobicContact CG-CD2 3.97Å; L125-Y129 HydrophobicContact CG-CE2 3.85Å; L125-Y129 VanDerWaalsContact O-CD2 3.29Å; L125-Y129 WeakPolarHBondContact O-CD2 3.17Å; L125-Y129 PolarHBondContact O-N 3.48Å; N126-Y129 PolarHBondContact O-N 3.28Å; Y129-I131 VanDerWaalsContact C-N 3.3Å; Y129-I131 PolarHBondContact O-N 2.98Å; Y129-V132 PolarHBondContact O-N 3.01Å; Y129-E133 VanDerWaalsContact O-CB 3.25Å; Y129-E133 WeakPolarHBondContact O-CB 3.28Å; Y129-E133 PolarHBondContact O-N 3.36Å; Y129-V190 HydrophobicContact CD1-CG1 4.05Å; Y129-V190 HydrophobicContact CE1-CG1 3.49Å; Y129-V190 VanDerWaalsContact CE1-CG1 3.49Å; Y129-A193 PolarHBondContact OH-N 3.33Å |
| 130 | E | 51.4 | Low | 48.3 | Very low | 131 Ų | 131 | 77.4 Ų | 77.4 | 61% | 0.612 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.2 | -35 | 175.6 | -168.7 | 179.7 | 173.1 | 0 | 0 | 112 | N126 A127 F128 S134 | N126-E130 WeakPolarHBondContact O-CB 3.3Å; N126-E130 PolarHBondContact O-N 3.29Å; A127-E130 PolarHBondContact O-N 3.4Å; F128-E130 PolarHBondContact O-N 3.48Å; E130-S134 VanDerWaalsContact O-CB 3.23Å; E130-S134 WeakPolarHBondContact O-CB 3.27Å; E130-S134 PolarHBondContact O-N 3.13Å; E130-S134 PolarHBondContact O-OG 2.92Å |
| 131 | I | 52.8 | Low | 47.8 | Very low | 56 Ų | 56 | 74.3 Ų | 74.3 | 29% | 0.287 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.7 | -39.3 | 175 | -66.8 | 161.9 | 0 | 0 | 0 | 111.5 | A127 F128 Y129 S134 S135 A163 | A127-I131 VanDerWaalsContact O-CD1 3.31Å; A127-I131 WeakPolarHBondContact O-CD1 3.21Å; A127-I131 WeakPolarHBondContact O-CG1 3.42Å; A127-I131 PolarHBondContact O-N 3.28Å; F128-I131 PolarHBondContact O-N 3.48Å; Y129-I131 VanDerWaalsContact C-N 3.3Å; Y129-I131 PolarHBondContact O-N 2.98Å; I131-S134 PolarHBondContact O-OG 3.12Å; I131-S135 PolarHBondContact O-N 3.28Å; I131-A163 HydrophobicContact CG2-CB 4.42Å |
| 132 | V | 51.7 | Low | 47.5 | Very low | 24 Ų | 24 | 77.6 Ų | 77.6 | 15% | 0.145 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | F128 Y129 S135 L138 | F128-V132 HydrophobicContact CD1-CG2 3.91Å; F128-V132 HydrophobicContact CE1-CG2 3.61Å; F128-V132 HydrophobicContact CZ-CG2 4.04Å; F128-V132 VanDerWaalsContact O-CG2 3.27Å; F128-V132 WeakPolarHBondContact O-CG2 3.4Å; F128-V132 PolarHBondContact O-N 3.12Å; Y129-V132 PolarHBondContact O-N 3.01Å; V132-S135 PolarHBondContact O-N 3.47Å; V132-S135 PolarHBondContact O-OG 3.47Å; V132-L138 HydrophobicContact CG1-CD1 3.65Å |
| 133 | E | 46.6 | Very low | 47.1 | Very low | 172 Ų | 172 | 77.3 Ų | 77.3 | 80% | 0.804 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.9 | -31.6 | 180 | -168.6 | 163.5 | -166.2 | 0 | 0 | 112.5 | Y129 S135 | Y129-E133 VanDerWaalsContact O-CB 3.25Å; Y129-E133 WeakPolarHBondContact O-CB 3.28Å; Y129-E133 PolarHBondContact O-N 3.36Å; E133-S135 VanDerWaalsContact C-N 3.26Å; E133-S135 PolarHBondContact O-N 3.44Å |
| 134 | S | 42 | Very low | 46.9 | Very low | 55 Ų | 55 | 79.8 Ų | 79.8 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 6.9 | 175.6 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | E130 I131 R159 | E130-S134 VanDerWaalsContact O-CB 3.23Å; E130-S134 WeakPolarHBondContact O-CB 3.27Å; E130-S134 PolarHBondContact O-N 3.13Å; E130-S134 PolarHBondContact O-OG 2.92Å; I131-S134 PolarHBondContact O-OG 3.12Å; S134-R159 PolarHBondContact O-NH1 2.82Å; S134-R159 PolarHBondContact OG-NH1 3.29Å; S134-R159 PolarHBondContact OG-NH2 2.9Å; S134-R159 VanDerWaalsContact OG-NH2 3.13Å |
| 135 | S | 41.4 | Very low | 46.5 | Very low | 9 Ų | 9 | 77.3 Ų | 77.3 | 6% | 0.063 | 44% | 0.441 | C | S | . | . | trans | -97.8 | 120.7 | 179.4 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | I131 V132 E133 C137 I160 | I131-S135 PolarHBondContact O-N 3.28Å; V132-S135 PolarHBondContact O-N 3.47Å; V132-S135 PolarHBondContact O-OG 3.47Å; E133-S135 VanDerWaalsContact C-N 3.26Å; E133-S135 PolarHBondContact O-N 3.44Å; S135-C137 PolarHBondContact O-N 2.86Å; S135-I160 WeakPolarHBondContact OG-CD1 3.34Å | ||
| 136 | P | 41.8 | Very low | 46.4 | Very low | 107 Ų | 107 | 78.1 Ų | 78.1 | 70% | 0.695 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -3.4 | -177.2 | 25.9 | -32.7 | 0 | 0 | 0 | 113.8 | ||
| 137 | C | 43.2 | Very low | 46.1 | Very low | 27 Ų | 27 | 79.5 Ų | 79.5 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -28.3 | -177.9 | -63.4 | 0 | 0 | 0 | 0 | 114.6 | S135 A139 S140 E156 C157 I160 | S135-C137 PolarHBondContact O-N 2.86Å; C137-A139 VanDerWaalsContact C-N 3.3Å; C137-A139 PolarHBondContact O-N 2.87Å; C137-S140 PolarHBondContact O-N 3.43Å; C137-E156 PolarHBondContact SG-O 3.26Å; C137-C157 HydrophobicContact CB-CB 3.96Å; C137-C157 WeakPolarHBondContact CB-SG 3.38Å; C137-C157 WeakPolarHBondContact SG-CA 3.33Å; C137-C157 WeakPolarHBondContact SG-CB 3.32Å; C137-C157 CovalentContact SG-SG 2.01Å; C137-C157 PolarHBondContact SG-SG 2.91Å; C137-I160 HydrophobicContact CB-CD1 4.09Å |
| 138 | L | 44.9 | Very low | 45.4 | Very low | 55 Ų | 55 | 83.2 Ų | 83.2 | 29% | 0.288 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -72.8 | -24.3 | 179.2 | -112.2 | 112.6 | 0 | 0 | 0 | 112.7 | V132 S140 V190 | V132-L138 HydrophobicContact CG1-CD1 3.65Å; L138-S140 PolarHBondContact O-N 3.34Å; L138-V190 HydrophobicContact CD2-CG2 3.77Å |
| 139 | A | 41.7 | Very low | 45.2 | Very low | 97 Ų | 97 | 83.9 Ų | 83.9 | 80% | 0.802 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -69.7 | -17.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C137 | C137-A139 VanDerWaalsContact C-N 3.3Å; C137-A139 PolarHBondContact O-N 2.87Å |
| 140 | S | 43.3 | Very low | 44.7 | Very low | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -82.9 | -14.9 | -176.5 | -160.8 | 0 | 0 | 0 | 0 | 113.6 | C137 L138 K142 | C137-S140 PolarHBondContact O-N 3.43Å; L138-S140 PolarHBondContact O-N 3.34Å; S140-K142 PolarHBondContact O-N 3.42Å |
| 141 | G | 42.6 | Very low | 44.2 | Very low | 70 Ų | 70 | 89.4 Ų | 89.4 | 72% | 0.722 | 50% | 0.498 | S | S | * | . | trans | 62.8 | 9.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 142 | K | 41.8 | Very low | 44 | Very low | 161 Ų | 161 | 88.8 Ų | 88.8 | 70% | 0.7 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 133.3 | -179.7 | -67.7 | 178.2 | -174.7 | 175.9 | 0 | 110.1 | S140 Y144 | S140-K142 PolarHBondContact O-N 3.42Å; K142-Y144 PolarHBondContact O-N 2.89Å |
| 143 | P | 40.3 | Very low | 43.7 | Very low | 106 Ų | 106 | 97 Ų | 97 | 69% | 0.688 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 116.6 | 175.9 | 27.1 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 144 | Y | 46.6 | Very low | 43.7 | Very low | 113 Ų | 113 | 98 Ų | 98 | 44% | 0.443 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 121.5 | 179.6 | -160.3 | -99.4 | 0 | 0 | 0 | 110.4 | K142 I146 S155 | K142-Y144 PolarHBondContact O-N 2.89Å; Y144-I146 HydrophobicContact CD1-CG1 3.86Å; Y144-I146 HydrophobicContact CE1-CG1 4.15Å; Y144-S155 WeakPolarHBondContact OH-CB 3.3Å |
| 145 | L | 40.2 | Very low | 44.1 | Very low | 87 Ų | 87 | 96 Ų | 96 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | trans | -95.9 | 101.8 | 179.8 | -166.6 | 82 | 0 | 0 | 0 | 108.7 | Q147 | L145-Q147 HydrophobicContact CD2-CB 4.08Å; L145-Q147 HydrophobicContact CD2-CG 4.44Å; L145-Q147 HydrophobicContact CG-CB 4.26Å; L145-Q147 PolarHBondContact O-N 3.19Å | ||
| 146 | I | 50.4 | Low | 44.4 | Very low | 64 Ų | 64 | 104.7 Ų | 104.7 | 33% | 0.328 | 56% | 0.561 | S | S | . | * | trans | -76.9 | 81.8 | 172.7 | -55.8 | 171 | 0 | 0 | 0 | 107.2 | Y144 V164 | Y144-I146 HydrophobicContact CD1-CG1 3.86Å; Y144-I146 HydrophobicContact CE1-CG1 4.15Å; I146-V164 HydrophobicContact CD1-CB 4.32Å; I146-V164 HydrophobicContact CD1-CG1 4.26Å; I146-V164 HydrophobicContact CD1-CG2 4.08Å | ||
| 147 | Q | 44.3 | Very low | 44.8 | Very low | 111 Ų | 111 | 100.1 Ų | 100.1 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | trans | -86.7 | -28.9 | -174.6 | -163.8 | 151.9 | 14.5 | 0 | 0 | 113 | L145 | L145-Q147 HydrophobicContact CD2-CB 4.08Å; L145-Q147 HydrophobicContact CD2-CG 4.44Å; L145-Q147 HydrophobicContact CG-CB 4.26Å; L145-Q147 PolarHBondContact O-N 3.19Å | ||
| 148 | H | 41.5 | Very low | 45.1 | Very low | 122 Ų | 122 | 101 Ų | 101 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | trans | -150.5 | 121.8 | 179 | -74.3 | -68 | 0 | 0 | 0 | 112.5 | K150 D151 | H148-K150 PolarHBondContact O-N 3.38Å; H148-D151 PolarHBondContact O-N 3.41Å | ||
| 149 | C | 47.7 | Very low | 45.3 | Very low | 75 Ų | 75 | 104.3 Ų | 104.3 | 51% | 0.507 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 5.8 | 169.2 | -66.4 | 0 | 0 | 0 | 0 | 114 | V152 C165 | C149-V152 WeakPolarHBondContact O-CG2 3.31Å; C149-C165 HydrophobicContact CB-CB 3.84Å; C149-C165 WeakPolarHBondContact CB-SG 3.36Å; C149-C165 WeakPolarHBondContact SG-CB 3.23Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 2.81Å |
| 150 | K | 41.7 | Very low | 45.8 | Very low | 194 Ų | 194 | 101.1 Ų | 101.1 | 84% | 0.843 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -15.3 | 174.6 | -86.6 | -173.2 | 172.3 | -175.6 | 0 | 113.3 | H148 V152 | H148-K150 PolarHBondContact O-N 3.38Å; K150-V152 PolarHBondContact O-N 3.36Å |
| 151 | D | 41.8 | Very low | 46.2 | Very low | 101 Ų | 101 | 98 Ų | 98 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | trans | -100.3 | 31.7 | -177.1 | -64.1 | -45.5 | 0 | 0 | 0 | 112.8 | H148 E153 K154 | H148-D151 PolarHBondContact O-N 3.41Å; D151-E153 PolarHBondContact O-N 2.81Å; D151-K154 PolarHBondContact O-N 3.24Å | ||
| 152 | V | 49.4 | Very low | 46.6 | Very low | 43 Ų | 43 | 101.3 Ų | 101.3 | 26% | 0.261 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -55.4 | -35.8 | 178.7 | 177 | 0 | 0 | 0 | 0 | 111.1 | C149 K150 K154 D158 T161 R162 | C149-V152 WeakPolarHBondContact O-CG2 3.31Å; K150-V152 PolarHBondContact O-N 3.36Å; V152-K154 VanDerWaalsContact C-N 3.28Å; V152-K154 PolarHBondContact O-N 3.46Å; V152-D158 WeakPolarHBondContact CG1-OD1 3.48Å; V152-T161 HydrophobicContact CG2-CG2 4.45Å; V152-R162 HydrophobicContact CG1-CG 4.22Å |
| 153 | E | 44.3 | Very low | 47 | Very low | 195 Ų | 195 | 95 Ų | 95 | 91% | 0.911 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -74.3 | -8.7 | -174.4 | -64.7 | -174.7 | 161.2 | 0 | 0 | 115 | D151 | D151-E153 PolarHBondContact O-N 2.81Š|
| 154 | K | 47.8 | Very low | 47.6 | Very low | 193 Ų | 193 | 93 Ų | 93 | 84% | 0.839 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -122.3 | 4.3 | -174 | -78.8 | -178.5 | 180 | 172.9 | 0 | 115.8 | D151 V152 | D151-K154 PolarHBondContact O-N 3.24Å; V152-K154 VanDerWaalsContact C-N 3.28Å; V152-K154 PolarHBondContact O-N 3.46Å |
| 155 | S | 50 | Low | 47.5 | Very low | 15 Ų | 15 | 89.3 Ų | 89.3 | 11% | 0.105 | 44% | 0.435 | C | S | . | . | trans | -100.6 | 128.1 | -177.6 | 67.4 | 0 | 0 | 0 | 0 | 113 | Y144 C157 D158 | Y144-S155 WeakPolarHBondContact OH-CB 3.3Å; S155-C157 PolarHBondContact O-N 2.89Å; S155-D158 PolarHBondContact O-N 3.3Å; S155-D158 PolarHBondContact OG-N 2.98Å | ||
| 156 | E | 47 | Very low | 47.7 | Very low | 191 Ų | 191 | 89.3 Ų | 89.3 | 89% | 0.893 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -7.8 | 168.4 | -69.9 | 179.1 | 155.8 | 0 | 0 | 112.8 | C137 | C137-E156 PolarHBondContact SG-O 3.26Š|
| 157 | C | 50.8 | Low | 47.2 | Very low | 11 Ų | 11 | 91.2 Ų | 91.2 | 7% | 0.074 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 29.4 | -179.2 | -48.4 | 0 | 0 | 0 | 0 | 113 | C137 S155 R159 I160 T161 | C137-C157 HydrophobicContact CB-CB 3.96Å; C137-C157 WeakPolarHBondContact CB-SG 3.38Å; C137-C157 WeakPolarHBondContact SG-CA 3.33Å; C137-C157 WeakPolarHBondContact SG-CB 3.32Å; C137-C157 CovalentContact SG-SG 2.01Å; C137-C157 PolarHBondContact SG-SG 2.91Å; S155-C157 PolarHBondContact O-N 2.89Å; C157-R159 PolarHBondContact O-N 3.41Å; C157-I160 HydrophobicContact CB-CD1 4.3Å; C157-I160 PolarHBondContact O-N 3Å; C157-T161 PolarHBondContact O-N 2.96Å; C157-T161 PolarHBondContact O-OG1 3.21Å |
| 158 | D | 48.3 | Very low | 47.4 | Very low | 44 Ų | 44 | 88.6 Ų | 88.6 | 24% | 0.235 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -48.8 | -35.9 | -177.9 | -171.4 | 7.7 | 0 | 0 | 0 | 113 | V152 S155 I160 R162 | V152-D158 WeakPolarHBondContact CG1-OD1 3.48Å; S155-D158 PolarHBondContact O-N 3.3Å; S155-D158 PolarHBondContact OG-N 2.98Å; D158-I160 PolarHBondContact O-N 3.5Å; D158-R162 VanDerWaalsContact CG-NE 3.33Å; D158-R162 VanDerWaalsContact CG-NH2 3.34Å; D158-R162 VanDerWaalsContact O-CB 3.27Å; D158-R162 WeakPolarHBondContact O-CB 3.25Å; D158-R162 VanDerWaalsContact O-CG 3.29Å; D158-R162 WeakPolarHBondContact O-CG 3.28Å; D158-R162 PolarHBondContact O-N 3.21Å; D158-R162 IonicContact OD1-CZ 2.8Å; D158-R162 IonicContact OD1-NE 2.83Å; D158-R162 PolarHBondContact OD1-NE 2.92Å; D158-R162 IonicContact OD1-NH2 3.53Å; D158-R162 IonicContact OD2-CZ 3.39Å; D158-R162 IonicContact OD2-NE 3.64Å; D158-R162 PolarHBondContact OD2-NE 3.32Å; D158-R162 IonicContact OD2-NH2 3.63Å; D158-R162 PolarHBondContact OD2-NH2 2.82Å |
| 159 | R | 49.6 | Very low | 47.4 | Very low | 125 Ų | 125 | 91.8 Ų | 91.8 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -37 | 177.5 | -64.5 | 179.2 | 71.8 | -149.5 | -2.2 | 113.7 | S134 C157 A163 | S134-R159 PolarHBondContact O-NH1 2.82Å; S134-R159 PolarHBondContact OG-NH1 3.29Å; S134-R159 PolarHBondContact OG-NH2 2.9Å; S134-R159 VanDerWaalsContact OG-NH2 3.13Å; C157-R159 PolarHBondContact O-N 3.41Å; R159-A163 WeakPolarHBondContact O-CB 3.39Å; R159-A163 PolarHBondContact O-N 3.32Å; R159-A163 VanDerWaalsContact O-N 3.17Å |
| 160 | I | 52.5 | Low | 47.1 | Very low | 30 Ų | 30 | 94 Ų | 94 | 15% | 0.154 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -77.3 | -43.6 | 177.8 | -59.7 | 165.7 | 0 | 0 | 0 | 109.7 | S135 C137 C157 D158 R162 A163 V164 | S135-I160 WeakPolarHBondContact OG-CD1 3.34Å; C137-I160 HydrophobicContact CB-CD1 4.09Å; C157-I160 HydrophobicContact CB-CD1 4.3Å; C157-I160 PolarHBondContact O-N 3Å; D158-I160 PolarHBondContact O-N 3.5Å; I160-R162 VanDerWaalsContact C-N 3.3Å; I160-R162 PolarHBondContact O-N 3.02Å; I160-A163 PolarHBondContact O-N 3.39Å; I160-A163 VanDerWaalsContact O-N 3.14Å; I160-V164 HydrophobicContact CG2-CG2 4.35Å; I160-V164 WeakPolarHBondContact O-CG2 3.39Å; I160-V164 PolarHBondContact O-N 2.76Å |
| 161 | T | 51.8 | Low | 47.1 | Very low | 6 Ų | 6 | 86.6 Ų | 86.6 | 4% | 0.037 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 176.8 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | V152 C157 V164 C165 | V152-T161 HydrophobicContact CG2-CG2 4.45Å; C157-T161 PolarHBondContact O-N 2.96Å; C157-T161 PolarHBondContact O-OG1 3.21Å; T161-V164 PolarHBondContact O-N 3.47Å; T161-C165 WeakPolarHBondContact O-CB 3.38Å; T161-C165 PolarHBondContact O-N 3.5Å; T161-C165 PolarHBondContact O-SG 3.01Å |
| 162 | R | 50.8 | Low | 47.2 | Very low | 141 Ų | 141 | 89.4 Ų | 89.4 | 53% | 0.532 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174 | -77.1 | -169.1 | -112.2 | 162.5 | -8.5 | 112.8 | V152 D158 I160 V164 C165 V166 | V152-R162 HydrophobicContact CG1-CG 4.22Å; D158-R162 VanDerWaalsContact CG-NE 3.33Å; D158-R162 VanDerWaalsContact CG-NH2 3.34Å; D158-R162 VanDerWaalsContact O-CB 3.27Å; D158-R162 WeakPolarHBondContact O-CB 3.25Å; D158-R162 VanDerWaalsContact O-CG 3.29Å; D158-R162 WeakPolarHBondContact O-CG 3.28Å; D158-R162 PolarHBondContact O-N 3.21Å; D158-R162 IonicContact OD1-CZ 2.8Å; D158-R162 IonicContact OD1-NE 2.83Å; D158-R162 PolarHBondContact OD1-NE 2.92Å; D158-R162 IonicContact OD1-NH2 3.53Å; D158-R162 IonicContact OD2-CZ 3.39Å; D158-R162 IonicContact OD2-NE 3.64Å; D158-R162 PolarHBondContact OD2-NE 3.32Å; D158-R162 IonicContact OD2-NH2 3.63Å; D158-R162 PolarHBondContact OD2-NH2 2.82Å; I160-R162 VanDerWaalsContact C-N 3.3Å; I160-R162 PolarHBondContact O-N 3.02Å; R162-V164 PolarHBondContact O-N 3.43Å; R162-C165 PolarHBondContact O-N 3Å; R162-V166 WeakPolarHBondContact O-CG2 3.31Å; R162-V166 PolarHBondContact O-N 3.45Å; R162-V166 VanDerWaalsContact O-N 3.11Å |
| 163 | A | 50.8 | Low | 47 | Very low | 28 Ų | 28 | 93.4 Ų | 93.4 | 23% | 0.231 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -68.2 | -31.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F128 I131 R159 I160 | F128-A163 HydrophobicContact CD2-CB 4.1Å; F128-A163 HydrophobicContact CE2-CB 3.72Å; I131-A163 HydrophobicContact CG2-CB 4.42Å; R159-A163 WeakPolarHBondContact O-CB 3.39Å; R159-A163 PolarHBondContact O-N 3.32Å; R159-A163 VanDerWaalsContact O-N 3.17Å; I160-A163 PolarHBondContact O-N 3.39Å; I160-A163 VanDerWaalsContact O-N 3.14Å |
| 164 | V | 51.8 | Low | 47.2 | Very low | 65 Ų | 65 | 89.2 Ų | 89.2 | 39% | 0.394 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -81.2 | -28.7 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | I146 I160 T161 R162 | I146-V164 HydrophobicContact CD1-CB 4.32Å; I146-V164 HydrophobicContact CD1-CG1 4.26Å; I146-V164 HydrophobicContact CD1-CG2 4.08Å; I160-V164 HydrophobicContact CG2-CG2 4.35Å; I160-V164 WeakPolarHBondContact O-CG2 3.39Å; I160-V164 PolarHBondContact O-N 2.76Å; T161-V164 PolarHBondContact O-N 3.47Å; R162-V164 PolarHBondContact O-N 3.43Å |
| 165 | C | 45.5 | Very low | 47 | Very low | 34 Ų | 34 | 87.7 Ų | 87.7 | 23% | 0.23 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -97.2 | 4.6 | -177.5 | -62.5 | 0 | 0 | 0 | 0 | 114.5 | C149 T161 R162 | C149-C165 HydrophobicContact CB-CB 3.84Å; C149-C165 WeakPolarHBondContact CB-SG 3.36Å; C149-C165 WeakPolarHBondContact SG-CB 3.23Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 2.81Å; T161-C165 WeakPolarHBondContact O-CB 3.38Å; T161-C165 PolarHBondContact O-N 3.5Å; T161-C165 PolarHBondContact O-SG 3.01Å; R162-C165 PolarHBondContact O-N 3Å |
| 166 | V | 44.4 | Very low | 46.4 | Very low | 87 Ų | 87 | 92.6 Ų | 92.6 | 53% | 0.527 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -62.6 | 129.5 | 172.7 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | R162 T168 | R162-V166 WeakPolarHBondContact O-CG2 3.31Å; R162-V166 PolarHBondContact O-N 3.45Å; R162-V166 VanDerWaalsContact O-N 3.11Å; V166-T168 PolarHBondContact O-N 3.07Å |
| 167 | P | 39.9 | Very low | 46.4 | Very low | 105 Ų | 105 | 89 Ų | 89 | 68% | 0.682 | 47% | 0.47 | S | S | * | . | trans | -61.7 | 106.2 | 176.8 | -17.8 | 29.9 | 0 | 0 | 0 | 110.2 | Q169 | P167-Q169 HydrophobicContact CB-CG 4.27Å; P167-Q169 PolarHBondContact O-N 2.7Å | ||
| 168 | T | 48.9 | Very low | 45.9 | Very low | 55 Ų | 55 | 92.4 Ų | 92.4 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | trans | -77.6 | 62.6 | 176.2 | 45.6 | 0 | 0 | 0 | 0 | 110.4 | V166 S170 F174 | V166-T168 PolarHBondContact O-N 3.07Å; T168-S170 PolarHBondContact O-N 2.68Å; T168-F174 VanDerWaalsContact CB-CB 3.46Å; T168-F174 HydrophobicContact CG2-CB 3.24Å; T168-F174 HydrophobicContact CG2-CD2 3.74Å; T168-F174 HydrophobicContact CG2-CG 3.62Å; T168-F174 WeakPolarHBondContact OG1-CB 3.33Å; T168-F174 PolarHBondContact OG1-O 3.07Å | ||
| 169 | Q | 41.1 | Very low | 45.7 | Very low | 189 Ų | 189 | 96.9 Ų | 96.9 | 88% | 0.883 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -74.1 | -2 | 178.1 | -67.9 | -126.2 | -7.5 | 0 | 0 | 113.6 | P167 | P167-Q169 HydrophobicContact CB-CG 4.27Å; P167-Q169 PolarHBondContact O-N 2.7Å |
| 170 | S | 41.6 | Very low | 45.2 | Very low | 122 Ų | 122 | 99.4 Ų | 99.4 | 85% | 0.853 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -136 | 1.5 | 179.5 | 61.2 | 0 | 0 | 0 | 0 | 115.5 | T168 | T168-S170 PolarHBondContact O-N 2.68Š|
| 171 | S | 40 | Very low | 44.7 | Very low | 38 Ų | 38 | 101.2 Ų | 101.2 | 27% | 0.266 | 56% | 0.557 | S | S | . | * | trans | -109.3 | 113.5 | -177.3 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | F173 F174 | S171-F173 PolarHBondContact O-N 2.88Å; S171-F173 VanDerWaalsContact O-N 3.07Å; S171-F174 PolarHBondContact O-N 3.47Å; S171-F174 VanDerWaalsContact O-N 3.12Å | ||
| 172 | I | 45.4 | Very low | 44.2 | Very low | 160 Ų | 160 | 107.5 Ų | 107.5 | 82% | 0.821 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -12.1 | -179 | -32.9 | 173.7 | 0 | 0 | 0 | 112.1 | ||
| 173 | F | 45.6 | Very low | 43.4 | Very low | 128 Ų | 128 | 104.8 Ų | 104.8 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -17.1 | 177.2 | -76.2 | -80.5 | 0 | 0 | 0 | 114.4 | S171 L200 | S171-F173 PolarHBondContact O-N 2.88Å; S171-F173 VanDerWaalsContact O-N 3.07Å; F173-L200 HydrophobicContact CD1-CD1 4.33Å; F173-L200 HydrophobicContact CE1-CD1 4.03Å |
| 174 | F | 48.4 | Very low | 42.8 | Very low | 106 Ų | 106 | 107 Ų | 107 | 47% | 0.465 | 60% | 0.597 | S | S | . | * | trans | -115.7 | 69.3 | 178.9 | -64.7 | -80.7 | 0 | 0 | 0 | 108.9 | T168 S171 | T168-F174 VanDerWaalsContact CB-CB 3.46Å; T168-F174 HydrophobicContact CG2-CB 3.24Å; T168-F174 HydrophobicContact CG2-CD2 3.74Å; T168-F174 HydrophobicContact CG2-CG 3.62Å; T168-F174 WeakPolarHBondContact OG1-CB 3.33Å; T168-F174 PolarHBondContact OG1-O 3.07Å; S171-F174 PolarHBondContact O-N 3.47Å; S171-F174 VanDerWaalsContact O-N 3.12Å | ||
| 175 | Q | 42.8 | Very low | 42 | Very low | 162 Ų | 162 | 113.1 Ų | 113.1 | 76% | 0.757 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 137.5 | 157.4 | -73.5 | -177.4 | -13.3 | 0 | 0 | 107.8 | I177 | Q175-I177 PolarHBondContact O-N 3.44Š|
| 176 | P | 37.9 | Very low | 41.6 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 76% | 0.76 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 120.8 | 175 | 19.5 | -29.6 | 0 | 0 | 0 | 108.5 | P178 | P176-P178 WeakPolarHBondContact O-CD 3.32Å; P176-P178 VanDerWaalsContact O-N 3.12Å |
| 177 | I | 45.9 | Very low | 41.1 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 59% | 0.59 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 122.3 | 175.8 | -61.3 | 165.1 | 0 | 0 | 0 | 105.8 | Q175 | Q175-I177 PolarHBondContact O-N 3.44Š|
| 178 | P | 40.4 | Very low | 41 | Very low | 83 Ų | 83 | 116 Ų | 116 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 148.4 | 178.2 | 20.2 | -30.4 | 0 | 0 | 0 | 108.9 | P176 K180 | P176-P178 WeakPolarHBondContact O-CD 3.32Å; P176-P178 VanDerWaalsContact O-N 3.12Å; P178-K180 PolarHBondContact O-N 3.39Å |
| 179 | P | 43.8 | Very low | 40.3 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 90% | 0.903 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -62.4 | 7.5 | -168.2 | 23.6 | -34.6 | 0 | 0 | 0 | 115.7 | A181 | P179-A181 PolarHBondContact O-N 2.97Š|
| 180 | K | 39.8 | Very low | 40.4 | Very low | 178 Ų | 178 | 113.8 Ų | 113.8 | 77% | 0.774 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -83.6 | 91 | 167.8 | -65.3 | -174.7 | 178.5 | 177.6 | 0 | 108.2 | P178 K182 | P178-K180 PolarHBondContact O-N 3.39Å; K180-K182 PolarHBondContact O-N 2.94Å |
| 181 | A | 41.7 | Very low | 40.5 | Very low | 68 Ų | 68 | 114.2 Ų | 114.2 | 56% | 0.562 | 62% | 0.617 | S | S | * | * | trans | -37.7 | 108.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P179 | P179-A181 PolarHBondContact O-N 2.97Š| ||
| 182 | K | 40.8 | Very low | 40.4 | Very low | 137 Ų | 137 | 119.6 Ų | 119.6 | 60% | 0.596 | 64% | 0.636 | S | S | * | * | trans | -97.2 | 120.9 | 167.9 | -72.5 | -178.5 | -179.8 | -179.9 | 0 | 107.5 | K180 V184 L206 | K180-K182 PolarHBondContact O-N 2.94Å; K182-V184 PolarHBondContact O-N 3.41Å; K182-L206 HydrophobicContact CD-CD1 4.27Å | ||
| 183 | S | 34.5 | Very low | 40.3 | Very low | 84 Ų | 84 | 112.6 Ų | 112.6 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | trans | -69.2 | 116.9 | 173.8 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 184 | V | 38.8 | Very low | 40.1 | Very low | 75 Ų | 75 | 112.7 Ų | 112.7 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | trans | -87.4 | 111.7 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | K182 C186 | K182-V184 PolarHBondContact O-N 3.41Å; V184-C186 PolarHBondContact O-N 3.25Å | ||
| 185 | R | 35 | Very low | 39.5 | Very low | 194 Ų | 194 | 112.5 Ų | 112.5 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | trans | -89.6 | 100 | 175 | -172.7 | 176.8 | -178.3 | 161.5 | 4.2 | 108.5 | N187 | R185-N187 PolarHBondContact NE-OD1 3.22Å; R185-N187 PolarHBondContact O-N 3.22Å | ||
| 186 | C | 36.9 | Very low | 39.5 | Very low | 88 Ų | 88 | 107.8 Ų | 107.8 | 60% | 0.595 | 61% | 0.605 | S | S | * | * | trans | -75.2 | 100.7 | 167.9 | -62.2 | 0 | 0 | 0 | 0 | 108.2 | V184 | V184-C186 PolarHBondContact O-N 3.25Š| ||
| 187 | N | 33.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 105.5 Ų | 105.5 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | trans | -70.5 | 149.6 | 164.3 | -81.5 | -20.3 | 0 | 0 | 0 | 108.8 | R185 D189 | R185-N187 PolarHBondContact NE-OD1 3.22Å; R185-N187 PolarHBondContact O-N 3.22Å; N187-D189 PolarHBondContact O-N 3.46Å | ||
| 188 | S | 37.3 | Very low | 39.5 | Very low | 92 Ų | 92 | 104 Ų | 104 | 64% | 0.643 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -55.7 | -17.7 | -175.7 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | V190 | S188-V190 PolarHBondContact O-N 3.46Š|
| 189 | D | 35.3 | Very low | 39.8 | Very low | 129 Ų | 129 | 101.7 Ų | 101.7 | 69% | 0.69 | 57% | 0.567 | S | S | * | * | trans | -101.6 | 78.4 | -174.7 | -56.8 | -14.9 | 0 | 0 | 0 | 108.7 | N187 L191 | N187-D189 PolarHBondContact O-N 3.46Å; D189-L191 PolarHBondContact O-N 3.44Å | ||
| 190 | V | 42.7 | Very low | 39.7 | Very low | 69 Ų | 69 | 100.2 Ų | 100.2 | 42% | 0.418 | 55% | 0.551 | S | S | . | * | trans | -70.5 | 80.5 | 168 | 178.6 | 0 | 0 | 0 | 0 | 107.3 | Y129 L138 S188 K192 | Y129-V190 HydrophobicContact CD1-CG1 4.05Å; Y129-V190 HydrophobicContact CE1-CG1 3.49Å; Y129-V190 VanDerWaalsContact CE1-CG1 3.49Å; L138-V190 HydrophobicContact CD2-CG2 3.77Å; S188-V190 PolarHBondContact O-N 3.46Å; V190-K192 PolarHBondContact O-N 3.08Å; V190-K192 VanDerWaalsContact O-N 3.13Å | ||
| 191 | L | 43.1 | Very low | 39.6 | Very low | 131 Ų | 131 | 97.7 Ų | 97.7 | 69% | 0.686 | 54% | 0.54 | S | S | * | . | trans | -63.3 | 115.2 | 169.8 | -74.4 | 164.4 | 0 | 0 | 0 | 107.3 | D189 A193 | D189-L191 PolarHBondContact O-N 3.44Å; L191-A193 PolarHBondContact O-N 3.41Å | ||
| 192 | K | 38.3 | Very low | 39.4 | Very low | 152 Ų | 152 | 99.7 Ų | 99.7 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | trans | -56.4 | 111.7 | 177.6 | -173.3 | 173 | -175.6 | 168.7 | 0 | 108.6 | V190 V194 | V190-K192 PolarHBondContact O-N 3.08Å; V190-K192 VanDerWaalsContact O-N 3.13Å; K192-V194 PolarHBondContact O-N 3.25Å | ||
| 193 | A | 43.8 | Very low | 39.4 | Very low | 12 Ų | 12 | 99.8 Ų | 99.8 | 10% | 0.099 | 54% | 0.538 | C | S | . | . | trans | -61.4 | 121.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y129 L191 N195 E198 V199 | Y129-A193 PolarHBondContact OH-N 3.33Å; L191-A193 PolarHBondContact O-N 3.41Å; A193-N195 VanDerWaalsContact C-N 3.32Å; A193-E198 HydrophobicContact CB-CB 4.21Å; A193-V199 HydrophobicContact CB-CG2 4.13Å | ||
| 194 | V | 41.3 | Very low | 39.6 | Very low | 130 Ų | 130 | 99 Ų | 99 | 79% | 0.788 | 54% | 0.536 | S | S | * | . | trans | -86.7 | -15.1 | -177.3 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | K192 E198 | K192-V194 PolarHBondContact O-N 3.25Å; V194-E198 PolarHBondContact N-OE2 3.17Å | ||
| 195 | N | 34.9 | Very low | 39.5 | Very low | 102 Ų | 102 | 103.3 Ų | 103.3 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -140.8 | 147 | -176.9 | -136.2 | -14.1 | 0 | 0 | 0 | 114 | A193 S197 E198 | A193-N195 VanDerWaalsContact C-N 3.32Å; N195-S197 PolarHBondContact O-N 3.5Å; N195-S197 VanDerWaalsContact O-N 3.16Å; N195-E198 HydrophobicContact CB-CG 4.28Å; N195-E198 PolarHBondContact N-OE2 3.2Å; N195-E198 WeakPolarHBondContact O-CB 3.3Å; N195-E198 PolarHBondContact O-N 2.9Å |
| 196 | A | 43.1 | Very low | 39.6 | Very low | 63 Ų | 63 | 98.8 Ų | 98.8 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -23.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E198 | A196-E198 VanDerWaalsContact C-N 3.34Å |
| 197 | S | 42.6 | Very low | 39.6 | Very low | 70 Ų | 70 | 99.8 Ų | 99.8 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.9 | -28.4 | 172.5 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | N195 F201 | N195-S197 PolarHBondContact O-N 3.5Å; N195-S197 VanDerWaalsContact O-N 3.16Å; S197-F201 VanDerWaalsContact O-CD2 3.29Å; S197-F201 WeakPolarHBondContact O-CD2 3.24Å |
| 198 | E | 41.6 | Very low | 39.6 | Very low | 83 Ų | 83 | 101.3 Ų | 101.3 | 39% | 0.388 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.8 | -27.4 | 179.6 | -64.5 | 175.2 | 160.8 | 0 | 0 | 111.6 | A193 V194 N195 A196 L200 F201 H202 | A193-E198 HydrophobicContact CB-CB 4.21Å; V194-E198 PolarHBondContact N-OE2 3.17Å; N195-E198 HydrophobicContact CB-CG 4.28Å; N195-E198 PolarHBondContact N-OE2 3.2Å; N195-E198 WeakPolarHBondContact O-CB 3.3Å; N195-E198 PolarHBondContact O-N 2.9Å; A196-E198 VanDerWaalsContact C-N 3.34Å; E198-L200 VanDerWaalsContact C-N 3.26Å; E198-L200 PolarHBondContact O-N 3.05Å; E198-F201 PolarHBondContact O-N 3.28Å; E198-F201 VanDerWaalsContact O-N 3.07Å; E198-H202 PolarHBondContact O-CD2 2.83Å; E198-H202 PolarHBondContact O-N 3.14Å; E198-H202 VanDerWaalsContact O-N 3.16Å |
| 199 | V | 46.2 | Very low | 39.6 | Very low | 35 Ų | 35 | 104.1 Ų | 104.1 | 21% | 0.212 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -60.5 | -35.2 | 177 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | L125 A193 F201 | L125-V199 HydrophobicContact CD1-CG1 4.46Å; L125-V199 HydrophobicContact CD2-CG2 3.77Å; A193-V199 HydrophobicContact CB-CG2 4.13Å; V199-F201 VanDerWaalsContact C-N 3.34Å |
| 200 | L | 41.8 | Very low | 39.6 | Very low | 107 Ų | 107 | 106.5 Ų | 106.5 | 56% | 0.56 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70 | -31.6 | 177.5 | -157.6 | 79.3 | 0 | 0 | 0 | 112 | F173 E198 A204 | F173-L200 HydrophobicContact CD1-CD1 4.33Å; F173-L200 HydrophobicContact CE1-CD1 4.03Å; E198-L200 VanDerWaalsContact C-N 3.26Å; E198-L200 PolarHBondContact O-N 3.05Å; L200-A204 VanDerWaalsContact O-CB 3.29Å; L200-A204 WeakPolarHBondContact O-CB 3.25Å; L200-A204 PolarHBondContact O-N 3.38Å |
| 201 | F | 38.3 | Very low | 39.1 | Very low | 126 Ų | 126 | 112.7 Ų | 112.7 | 55% | 0.553 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -81.5 | -26.2 | -178.6 | -75.8 | -76.2 | 0 | 0 | 0 | 113.6 | S197 E198 V199 F203 A204 Q205 | S197-F201 VanDerWaalsContact O-CD2 3.29Å; S197-F201 WeakPolarHBondContact O-CD2 3.24Å; E198-F201 PolarHBondContact O-N 3.28Å; E198-F201 VanDerWaalsContact O-N 3.07Å; V199-F201 VanDerWaalsContact C-N 3.34Å; F201-F203 PolarHBondContact O-N 3.41Å; F201-A204 PolarHBondContact O-N 3Å; F201-Q205 PolarHBondContact O-N 3.06Å |
| 202 | H | 38.1 | Very low | 38.7 | Very low | 110 Ų | 110 | 113.6 Ų | 113.6 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.6 | -25.4 | 176.1 | -78 | -64.7 | 0 | 0 | 0 | 113.8 | E198 | E198-H202 PolarHBondContact O-CD2 2.83Å; E198-H202 PolarHBondContact O-N 3.14Å; E198-H202 VanDerWaalsContact O-N 3.16Å |
| 203 | F | 40.6 | Very low | 38.3 | Very low | 139 Ų | 139 | 113.7 Ų | 113.7 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -104.9 | -12.9 | 176.9 | -66.7 | -77.2 | 0 | 0 | 0 | 114.3 | F201 | F201-F203 PolarHBondContact O-N 3.41Å |
| 204 | A | 38 | Very low | 38.2 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -95.5 | -20.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L200 F201 L206 | L200-A204 VanDerWaalsContact O-CB 3.29Å; L200-A204 WeakPolarHBondContact O-CB 3.25Å; L200-A204 PolarHBondContact O-N 3.38Å; F201-A204 PolarHBondContact O-N 3Å; A204-L206 PolarHBondContact O-N 2.81Å |
| 205 | Q | 36.8 | Very low | 37.9 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | trans | -81.1 | 66.6 | 173.4 | -88 | 174.9 | -18.8 | 0 | 0 | 111.6 | F201 | F201-Q205 PolarHBondContact O-N 3.06Š| ||
| 206 | L | 36.2 | Very low | 38.2 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | trans | -80.1 | 122.8 | 149.8 | -81.3 | 134.1 | 0 | 0 | 0 | 106.7 | K182 A204 T208 | K182-L206 HydrophobicContact CD-CD1 4.27Å; A204-L206 PolarHBondContact O-N 2.81Å; L206-T208 PolarHBondContact O-N 2.94Å; L206-T208 VanDerWaalsContact O-N 3.1Å | ||
| 207 | P | 37.2 | Very low | 37.9 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -58.4 | 121.7 | 162.4 | 24.6 | -28.9 | 0 | 0 | 0 | 106.5 | I209 | P207-I209 PolarHBondContact O-N 2.95Š| ||
| 208 | T | 35.3 | Very low | 37.8 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | trans | -51.3 | 112 | 163.4 | 18.4 | 0 | 0 | 0 | 0 | 106.6 | L206 E210 | L206-T208 PolarHBondContact O-N 2.94Å; L206-T208 VanDerWaalsContact O-N 3.1Å; T208-E210 PolarHBondContact O-N 2.8Å | ||
| 209 | I | 37 | Very low | 37.4 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | trans | -64.9 | 90.3 | 174.1 | -59.8 | 165.3 | 0 | 0 | 0 | 105.6 | P207 K211 | P207-I209 PolarHBondContact O-N 2.95Å; I209-K211 PolarHBondContact O-N 3.15Å | ||
| 210 | E | 33.8 | Very low | 36.7 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -59.3 | 123.7 | 155.8 | -91.7 | -171.4 | 154.1 | 0 | 0 | 106.6 | T208 I212 | T208-E210 PolarHBondContact O-N 2.8Å; E210-I212 PolarHBondContact O-N 2.88Å | ||
| 211 | K | 33 | Very low | 36.2 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | trans | -40.5 | 122.6 | 176.1 | -89.4 | 172.7 | 169.7 | 175.6 | 0 | 109.8 | I209 N213 | I209-K211 PolarHBondContact O-N 3.15Å; K211-N213 PolarHBondContact O-N 2.91Å | ||
| 212 | I | 33.8 | Very low | 35.8 | Very low | 150 Ų | 150 | 146 Ų | 146 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -43.5 | 115.2 | 163.9 | -65.5 | 153.2 | 0 | 0 | 0 | 108.2 | E210 | E210-I212 PolarHBondContact O-N 2.88Š| ||
| 213 | N | 31.2 | Very low | 35.2 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -114.8 | 124.4 | 146.6 | -155.6 | 4.8 | 0 | 0 | 0 | 107.3 | K211 N215 | K211-N213 PolarHBondContact O-N 2.91Å; N213-N215 PolarHBondContact O-N 2.87Å | ||
| 214 | N | 41.2 | Very low | 34.9 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -47.2 | 121.7 | -178 | -85.4 | -27.9 | 0 | 0 | 0 | 111.2 | ||||
| 215 | N | 34.8 | Very low | 34.3 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | -168.8 | 136.4 | 123 | -96.9 | -23.8 | 0 | 0 | 0 | 111.5 | N213 N217 | N213-N215 PolarHBondContact O-N 2.87Å; N215-N217 PolarHBondContact O-N 2.74Å | |||
| 216 | N | 42.6 | Very low | 34 | Very low | 149 Ų | 149 | 157.1 Ų | 157.1 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -52.1 | 117.6 | 176.1 | -61.9 | -43.7 | 0 | 0 | 0 | 110.8 | ||||
| 217 | N | 35.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 161.9 Ų | 161.9 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | 177.2 | 132.3 | 125.2 | -87.3 | -28.8 | 0 | 0 | 0 | 110.9 | N215 K219 | N215-N217 PolarHBondContact O-N 2.74Å; N217-K219 PolarHBondContact O-N 3.07Å | |||
| 218 | K | 42.1 | Very low | 33.7 | Very low | 204 Ų | 204 | 164.6 Ų | 164.6 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -43.7 | 129 | 175 | -70.4 | 169.3 | 174.3 | 172.2 | 0 | 111.9 | ||||
| 219 | K | 33.2 | Very low | 33.6 | Very low | 199 Ų | 199 | 166 Ų | 166 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -158.5 | 107.6 | 142.1 | -101.7 | 161.3 | -165.2 | -173.9 | 0 | 108.9 | N217 L221 | N217-K219 PolarHBondContact O-N 3.07Å; K219-L221 PolarHBondContact O-N 3.1Å | ||
| 220 | S | 31.2 | Very low | 33.4 | Very low | 107 Ų | 107 | 166.8 Ų | 166.8 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -63.4 | 113.9 | 167.5 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | H222 | S220-H222 PolarHBondContact O-N 3.15Š| ||
| 221 | L | 31.8 | Very low | 33.4 | Very low | 147 Ų | 147 | 166.1 Ų | 166.1 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -86.6 | 93.6 | 168.4 | -88.5 | 161.5 | 0 | 0 | 0 | 108.1 | K219 F223 | K219-L221 PolarHBondContact O-N 3.1Å; L221-F223 PolarHBondContact O-N 3.18Å | ||
| 222 | H | 28 | Very low | 33.4 | Very low | 153 Ų | 153 | 164 Ų | 164 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | trans | -59.7 | 115.4 | 161.2 | -94.3 | -87.6 | 0 | 0 | 0 | 109.1 | S220 | S220-H222 PolarHBondContact O-N 3.15Š| ||
| 223 | F | 27 | Very low | 33.3 | Very low | 190 Ų | 190 | 164.9 Ų | 164.9 | 83% | 0.833 | 82% | 0.823 | S | S | * | * | trans | -95.2 | 97.7 | 156.1 | -82.9 | -83.2 | 0 | 0 | 0 | 108.1 | L221 | L221-F223 PolarHBondContact O-N 3.18Š| ||
| 224 | I | 32.7 | Very low | 33.5 | Very low | 131 Ų | 131 | 165.7 Ų | 165.7 | 67% | 0.672 | 82% | 0.823 | S | S | * | * | trans | -80.7 | 115.4 | 160 | -64.5 | 166.9 | 0 | 0 | 0 | 105.4 | R226 | I224-R226 HydrophobicContact CG2-CB 4.48Å; I224-R226 HydrophobicContact CG2-CG 4.24Å | ||
| 225 | H | 27 | Very low | 32.9 | Very low | 178 Ų | 178 | 168.2 Ų | 168.2 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -107.6 | 106.4 | 157.9 | -157.7 | -83.8 | 0 | 0 | 0 | 107.9 | ||||
| 226 | R | 30.1 | Very low | 32.8 | Very low | 216 Ų | 216 | 169.4 Ų | 169.4 | 82% | 0.815 | 83% | 0.832 | S | S | * | * | trans | -90.5 | 135.3 | 170.9 | -105.9 | -173.9 | 178.3 | 169 | 0 | 108.1 | I224 | I224-R226 HydrophobicContact CG2-CB 4.48Å; I224-R226 HydrophobicContact CG2-CG 4.24Å | ||
| 227 | V | 32.2 | Very low | 31.9 | Very low | 199 Ų | 199 | 171.3 Ų | 171.3 | 100% | 1.206 | 84% | 0.835 | S | S | * | * | trans | 73.5 | 0 | 167.4 | -161.3 | 0 | 0 | 0 | 0 | 115.9 |
Retrieved 227 of 227 residues in 75 ms
(Link to these results)