| 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 | 38.4 | Very low | 46.2 | Very low | 253 Ų | 253 | 164.9 Ų | 164.9 | 100% | 1.246 | 86% | 0.857 | S | S | * | * | 0 | 111.7 | 0 | -94.3 | 155.5 | 158.5 | 0 | 0 | 107.3 | |||||
| 2 | A | 44.5 | Very low | 46.4 | Very low | 95 Ų | 95 | 159.8 Ų | 159.8 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | trans | -81.1 | 139.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | E | 46.6 | Very low | 46.5 | Very low | 196 Ų | 196 | 160.2 Ų | 160.2 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | -163.1 | 136.9 | 141.7 | -111.3 | 167.8 | 158.7 | 0 | 0 | 112.2 | ||||
| 4 | S | 48.4 | Very low | 46.4 | Very low | 105 Ų | 105 | 162.1 Ų | 162.1 | 73% | 0.734 | 85% | 0.847 | S | S | * | * | trans | -74.7 | 145.1 | -177.8 | 44.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 5 | S | 42.9 | Very low | 46.2 | Very low | 120 Ų | 120 | 160.5 Ų | 160.5 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | -170 | 98.5 | 138.5 | -88.9 | 0 | 0 | 0 | 0 | 111.6 | R7 | S5-R7 PolarHBondContact O-N 3.45Š| ||
| 6 | A | 49.2 | Very low | 45.6 | Very low | 84 Ų | 84 | 160.4 Ų | 160.4 | 69% | 0.694 | 84% | 0.84 | S | S | * | * | trans | -74.3 | 108 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y8 | A6-Y8 HydrophobicContact CB-CE2 4.23Å; A6-Y8 PolarHBondContact O-N 3.3Å | ||
| 7 | R | 44.1 | Very low | 45.4 | Very low | 236 Ų | 236 | 157 Ų | 157 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | trans | -83.3 | 98 | 179.5 | -167.9 | -178.9 | -161.8 | 177.9 | 4.3 | 108.9 | S5 | S5-R7 PolarHBondContact O-N 3.45Š| ||
| 8 | Y | 41.3 | Very low | 45 | Very low | 210 Ų | 210 | 159.9 Ų | 159.9 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | trans | -74.8 | 131.1 | 167.6 | -68.5 | -87.7 | 0 | 0 | 0 | 109.4 | A6 | A6-Y8 HydrophobicContact CB-CE2 4.23Å; A6-Y8 PolarHBondContact O-N 3.3Å | ||
| 9 | Q | 54.7 | Low | 44.2 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | -103.2 | 107.7 | 171.2 | -168.4 | 150.8 | -20.2 | 0 | 0 | 108.2 | ||||
| 10 | Q | 48.2 | Very low | 43.7 | Very low | 185 Ų | 185 | 153.9 Ų | 153.9 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 122.9 | 177.4 | -171.2 | 164.2 | -15.3 | 0 | 0 | 108.6 | ||
| 11 | L | 50.5 | Low | 43.7 | Very low | 153 Ų | 153 | 152 Ų | 152 | 80% | 0.801 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 133.5 | 173.2 | -73.1 | 165.7 | 0 | 0 | 0 | 109.1 | N13 | L11-N13 PolarHBondContact O-N 3.01Š|
| 12 | P | 48.7 | Very low | 43.9 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 130.1 | 174.1 | -17.7 | 30.1 | 0 | 0 | 0 | 111.1 | ||
| 13 | N | 46.7 | Very low | 43.5 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 121.6 | 154.9 | -78.9 | -15.9 | 0 | 0 | 0 | 107.1 | L11 | L11-N13 PolarHBondContact O-N 3.01Š|
| 14 | E | 45.8 | Very low | 43.3 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -116.1 | 103.6 | 163.1 | -77.7 | 178.6 | 105.8 | 0 | 0 | 107.7 | ||||
| 15 | D | 43.5 | Very low | 43.2 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -68.8 | 142.3 | 157.7 | -107.4 | -64.1 | 0 | 0 | 0 | 109.4 | ||||
| 16 | D | 35.7 | Very low | 43.4 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -180 | 98.2 | 140.7 | -91.8 | -34.4 | 0 | 0 | 0 | 107.8 | ||||
| 17 | S | 43.4 | Very low | 43.8 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | 61.7 | 90.7 | 78.7 | -82.2 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 18 | E | 36.8 | Very low | 44.4 | Very low | 210 Ų | 210 | 141.8 Ų | 141.8 | 98% | 0.981 | 81% | 0.807 | S | S | * | * | trans | -158.5 | 139.8 | 137.6 | -66.5 | -164.5 | 105.9 | 0 | 0 | 105.9 | ||||
| 19 | G | 31 | Very low | 45.1 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | cis | 170.8 | 115 | 5.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 20 | S | 32.7 | Very low | 45.2 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | 76.5 | 150.3 | 153.9 | -64.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 21 | P | 45.3 | Very low | 45 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -114.2 | 177.5 | -160.2 | 28.7 | -6.8 | 0 | 0 | 0 | 114.2 | ||||
| 22 | Q | 41.9 | Very low | 44.8 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | 91.7 | 120.7 | 168 | -52 | -168.8 | -15.1 | 0 | 0 | 116 | ||||
| 23 | V | 36.3 | Very low | 44.6 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | -168.6 | 138.2 | 113.2 | 163.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 24 | A | 41.8 | Very low | 44.6 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | 72.3 | 96.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | D26 | A24-D26 PolarHBondContact O-N 3.22Š| ||
| 25 | A | 47.4 | Very low | 44.3 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -54.3 | 123.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A27 | A25-A27 VanDerWaalsContact C-N 3.28Å; A25-A27 PolarHBondContact O-N 2.79Å | ||
| 26 | D | 46.1 | Very low | 44.7 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -76.6 | 87.6 | 163.2 | -129.2 | -15 | 0 | 0 | 0 | 107 | A24 | A24-D26 PolarHBondContact O-N 3.22Š| ||
| 27 | A | 58.8 | Low | 45.2 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 62% | 0.62 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 146.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A25 | A25-A27 VanDerWaalsContact C-N 3.28Å; A25-A27 PolarHBondContact O-N 2.79Å |
| 28 | P | 55.6 | Low | 44.9 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 155 | 173.9 | 26.5 | -33.5 | 0 | 0 | 0 | 111 | ||
| 29 | P | 55.3 | Low | 45.5 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 146.6 | -173.7 | 23.3 | -34 | 0 | 0 | 0 | 111.9 | Y31 | P29-Y31 PolarHBondContact O-N 3.27Š|
| 30 | P | 57.6 | Low | 46.2 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130 | 179.5 | 24.9 | -31.7 | 0 | 0 | 0 | 110.2 | S32 | P30-S32 PolarHBondContact O-N 3.22Š|
| 31 | Y | 43.4 | Very low | 46.5 | Very low | 226 Ų | 226 | 128.2 Ų | 128.2 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 120.8 | 164.1 | -97.5 | -94.2 | 0 | 0 | 0 | 108.4 | P29 S33 | P29-Y31 PolarHBondContact O-N 3.27Å; Y31-S33 PolarHBondContact O-N 3.27Å |
| 32 | S | 47.3 | Very low | 46.2 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 99.2 | 167.4 | -172.5 | 0 | 0 | 0 | 0 | 108 | P30 I34 | P30-S32 PolarHBondContact O-N 3.22Å; S32-I34 PolarHBondContact O-N 3.37Å | ||
| 33 | S | 44.9 | Very low | 46.2 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 113.5 | 165.6 | 48.6 | 0 | 0 | 0 | 0 | 107.7 | Y31 A35 | Y31-S33 PolarHBondContact O-N 3.27Å; S33-A35 PolarHBondContact O-N 2.9Å | ||
| 34 | I | 45.3 | Very low | 46.3 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -56.1 | 110.7 | 168.7 | -113.8 | 158 | 0 | 0 | 0 | 107.3 | S32 A36 | S32-I34 PolarHBondContact O-N 3.37Å; I34-A36 PolarHBondContact O-N 3.06Å | ||
| 35 | A | 41.1 | Very low | 46.4 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -72.6 | 119 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | S33 D37 | S33-A35 PolarHBondContact O-N 2.9Å; A35-D37 PolarHBondContact O-N 3.5Å | ||
| 36 | A | 51.2 | Low | 46.2 | Very low | 82 Ų | 82 | 140 Ų | 140 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -49.4 | 118.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | I34 | I34-A36 PolarHBondContact O-N 3.06Š| ||
| 37 | D | 46.1 | Very low | 46.1 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | 174.5 | 73.6 | 154.2 | -79.7 | -20.3 | 0 | 0 | 0 | 109.8 | A35 | A35-D37 PolarHBondContact O-N 3.5Š| ||
| 38 | S | 37.9 | Very low | 45.7 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -151.2 | 57.4 | 155 | 44.7 | 0 | 0 | 0 | 0 | 109.7 | A40 | S38-A40 VanDerWaalsContact C-N 3.3Å; S38-A40 PolarHBondContact O-N 3.45Å | ||
| 39 | A | 48.3 | Very low | 45.7 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -71 | 86.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 40 | A | 45.2 | Very low | 45.5 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 174.4 | 73 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S38 | S38-A40 VanDerWaalsContact C-N 3.3Å; S38-A40 PolarHBondContact O-N 3.45Å | ||
| 41 | Y | 39.2 | Very low | 45.6 | Very low | 207 Ų | 207 | 142.1 Ų | 142.1 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -154.2 | 90.9 | 147.9 | -143.1 | -102.8 | 0 | 0 | 0 | 109.8 | ||
| 42 | F | 40.4 | Very low | 46.2 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | trans | 58.5 | 93.6 | 159.7 | -63.6 | -91.9 | 0 | 0 | 0 | 116.3 | ||||
| 43 | D | 41.4 | Very low | 46.8 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | 33.4 | 83.1 | 80.8 | -159 | 42.1 | 0 | 0 | 0 | 114.2 | |||||
| 44 | Y | 38.2 | Very low | 47.2 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -126.7 | 109.9 | 140.8 | -98.4 | -91.3 | 0 | 0 | 0 | 106.9 | E46 | Y44-E46 PolarHBondContact O-N 3.36Š| ||
| 45 | K | 44.1 | Very low | 47.8 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | -51.5 | 123.1 | 156.3 | -84.4 | -162.5 | 173.2 | -168.8 | 0 | 109.2 | ||||
| 46 | E | 42.3 | Very low | 48.3 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -145.2 | 99.9 | 152.3 | -153.1 | 165.3 | -164.9 | 0 | 0 | 109.3 | Y44 G48 | Y44-E46 PolarHBondContact O-N 3.36Å; E46-G48 PolarHBondContact O-N 3.09Å | ||
| 47 | D | 44 | Very low | 48.7 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -56.4 | 125.8 | 165.8 | -62.6 | -67.8 | 0 | 0 | 0 | 109.6 | ||||
| 48 | G | 50.8 | Low | 49.1 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 134.7 | 87.8 | 155 | 0 | 0 | 0 | 0 | 0 | 117.9 | E46 | E46-G48 PolarHBondContact O-N 3.09Š|
| 49 | V | 56.3 | Low | 49.8 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | 60.8 | 83.4 | 143.1 | -165.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 50 | F | 51.1 | Low | 50.1 | Low | 182 Ų | 182 | 142 Ų | 142 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -57 | 124.8 | 152.9 | -156.6 | -94.2 | 0 | 0 | 0 | 108.3 | K52 | F50-K52 PolarHBondContact O-N 2.92Š|
| 51 | P | 59.1 | Low | 50.6 | Low | 102 Ų | 102 | 144 Ų | 144 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 116.6 | 175 | 24.4 | -30.3 | 0 | 0 | 0 | 107.3 | ||
| 52 | K | 57 | Low | 51.3 | Low | 193 Ų | 193 | 141.7 Ų | 141.7 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 130.9 | 172 | -78.4 | 165.2 | 178.4 | 169.4 | 0 | 106.9 | F50 | F50-K52 PolarHBondContact O-N 2.92Š|
| 53 | P | 58 | Low | 51.8 | Low | 102 Ų | 102 | 139.5 Ų | 139.5 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 142.8 | 171.4 | 23.2 | -32.3 | 0 | 0 | 0 | 108.2 | S55 | P53-S55 PolarHBondContact O-N 3.04Š|
| 54 | P | 54.4 | Low | 52.6 | Low | 124 Ų | 124 | 136.6 Ų | 136.6 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 131.2 | -178.6 | 19 | -30.9 | 0 | 0 | 0 | 109.5 | Y56 | P54-Y56 PolarHBondContact O-N 3.44Š|
| 55 | S | 57.2 | Low | 53.1 | Low | 77 Ų | 77 | 135 Ų | 135 | 54% | 0.538 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 130.2 | -175.7 | 110.2 | 0 | 0 | 0 | 0 | 109.3 | P53 N57 | P53-S55 PolarHBondContact O-N 3.04Å; S55-N57 PolarHBondContact O-N 3.35Å; S55-N57 PolarHBondContact OG-ND2 3.36Å |
| 56 | Y | 53.2 | Low | 53.7 | Low | 216 Ų | 216 | 132.2 Ų | 132.2 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 41.6 | -178.8 | -142.6 | -91.4 | 0 | 0 | 0 | 112.5 | P54 | P54-Y56 PolarHBondContact O-N 3.44Š|
| 57 | N | 59.5 | Low | 54.3 | Low | 126 Ų | 126 | 130.1 Ų | 130.1 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 12.4 | 175.9 | -64.1 | -58.6 | 0 | 0 | 0 | 112 | S55 | S55-N57 PolarHBondContact O-N 3.35Å; S55-N57 PolarHBondContact OG-ND2 3.36Å |
| 58 | V | 54 | Low | 54.7 | Low | 138 Ų | 138 | 126.3 Ų | 126.3 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -103.5 | 39.9 | 173.9 | -166.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 59 | A | 52.2 | Low | 54.8 | Low | 74 Ų | 74 | 128.7 Ų | 128.7 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -144.6 | 28.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 60 | T | 53.8 | Low | 54.6 | Low | 119 Ų | 119 | 130.9 Ų | 130.9 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -130.8 | 3.7 | 176.7 | 59.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 61 | T | 55.8 | Low | 54.7 | Low | 132 Ų | 132 | 127.2 Ų | 127.2 | 81% | 0.81 | 70% | 0.696 | S | S | * | * | trans | -108.7 | 80 | 163.1 | 59.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 62 | L | 55.6 | Low | 54.3 | Low | 158 Ų | 158 | 131.2 Ų | 131.2 | 83% | 0.827 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 133 | 159.9 | -69.4 | 160.9 | 0 | 0 | 0 | 108 | S64 | L62-S64 PolarHBondContact O-N 2.86Š|
| 63 | P | 50.6 | Low | 54 | Low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 135 | 163.6 | -24 | 33.6 | 0 | 0 | 0 | 108.9 | Y65 | P63-Y65 PolarHBondContact O-N 3.34Š|
| 64 | S | 57.3 | Low | 53.5 | Low | 79 Ų | 79 | 127.6 Ų | 127.6 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 134.7 | 178.3 | -163.4 | 0 | 0 | 0 | 0 | 109.2 | L62 D66 E67 | L62-S64 PolarHBondContact O-N 2.86Å; S64-D66 PolarHBondContact O-N 3.37Å; S64-D66 PolarHBondContact OG-OD2 3.18Å; S64-E67 PolarHBondContact O-N 3.47Å |
| 65 | Y | 48.7 | Very low | 53.1 | Low | 184 Ų | 184 | 127.9 Ų | 127.9 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -51.7 | -21.3 | -176 | -168.7 | -98.7 | 0 | 0 | 0 | 113.7 | P63 E67 | P63-Y65 PolarHBondContact O-N 3.34Å; Y65-E67 VanDerWaalsContact C-N 3.35Å; Y65-E67 PolarHBondContact O-N 3.4Å |
| 66 | D | 57.4 | Low | 52.8 | Low | 115 Ų | 115 | 128.2 Ų | 128.2 | 62% | 0.615 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.4 | -17.6 | -179.5 | -52.8 | -58.2 | 0 | 0 | 0 | 114.8 | S64 | S64-D66 PolarHBondContact O-N 3.37Å; S64-D66 PolarHBondContact OG-OD2 3.18Å |
| 67 | E | 54.7 | Low | 52.2 | Low | 145 Ų | 145 | 122.2 Ų | 122.2 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -92.1 | -26.8 | -177.3 | -146.1 | 169.8 | -158.3 | 0 | 0 | 112.6 | S64 Y65 E69 R70 | S64-E67 PolarHBondContact O-N 3.47Å; Y65-E67 VanDerWaalsContact C-N 3.35Å; Y65-E67 PolarHBondContact O-N 3.4Å; E67-E69 PolarHBondContact O-N 2.99Å; E67-R70 PolarHBondContact O-N 3.33Å |
| 68 | A | 52.3 | Low | 51.5 | Low | 73 Ų | 73 | 121.9 Ų | 121.9 | 60% | 0.603 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -75.1 | -21.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 69 | E | 52.5 | Low | 50.7 | Low | 119 Ų | 119 | 123.5 Ų | 123.5 | 56% | 0.556 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -76 | -24.5 | 175.6 | -71.1 | -163.8 | 146.4 | 0 | 0 | 112.8 | E67 A73 | E67-E69 PolarHBondContact O-N 2.99Å; E69-A73 PolarHBondContact O-N 3.18Å |
| 70 | R | 52.8 | Low | 49.9 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -77.5 | -32.4 | 179.6 | -67.3 | -148.3 | 175.9 | 128.9 | 3.9 | 113.5 | E67 K72 A73 E74 | E67-R70 PolarHBondContact O-N 3.33Å; R70-K72 VanDerWaalsContact C-N 3.26Å; R70-K72 PolarHBondContact O-N 3.22Å; R70-A73 PolarHBondContact O-N 2.72Å; R70-A73 VanDerWaalsContact O-N 3.09Å; R70-E74 PolarHBondContact O-N 2.94Å |
| 71 | T | 52.5 | Low | 48.9 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -68.6 | -27.5 | 176.3 | -31.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 72 | K | 51 | Low | 47.8 | Very low | 186 Ų | 186 | 124 Ų | 124 | 81% | 0.809 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -76.6 | -24.7 | 171.7 | -116.8 | -175.4 | -177.8 | -175.2 | 0 | 113.2 | R70 | R70-K72 VanDerWaalsContact C-N 3.26Å; R70-K72 PolarHBondContact O-N 3.22Å |
| 73 | A | 51.1 | Low | 47.2 | Very low | 58 Ų | 58 | 128 Ų | 128 | 48% | 0.479 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -93.9 | -24 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | E69 R70 S76 | E69-A73 PolarHBondContact O-N 3.18Å; R70-A73 PolarHBondContact O-N 2.72Å; R70-A73 VanDerWaalsContact O-N 3.09Å; A73-S76 PolarHBondContact O-N 3.17Å; A73-S76 PolarHBondContact O-OG 3.47Å |
| 74 | E | 47.5 | Very low | 46.2 | Very low | 160 Ų | 160 | 131 Ų | 131 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -8.5 | 178.4 | -76.4 | -175.8 | 173.1 | 0 | 0 | 114.3 | R70 S76 | R70-E74 PolarHBondContact O-N 2.94Å; E74-S76 VanDerWaalsContact C-N 3.26Å |
| 75 | T | 46.4 | Very low | 45.6 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -0.2 | 167.3 | -47.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 76 | S | 50.1 | Low | 45 | Very low | 84 Ų | 84 | 132.7 Ų | 132.7 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -117.5 | 64.2 | 179.5 | 59 | 0 | 0 | 0 | 0 | 113 | A73 E74 | A73-S76 PolarHBondContact O-N 3.17Å; A73-S76 PolarHBondContact O-OG 3.47Å; E74-S76 VanDerWaalsContact C-N 3.26Å |
| 77 | A | 39.5 | Very low | 44 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | trans | -173 | 151.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 78 | P | 46 | Very low | 43.4 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -123.1 | 157.5 | -133.5 | 38 | -24.5 | 0 | 0 | 0 | 116 | ||||
| 79 | L | 36.5 | Very low | 43.1 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 90% | 0.901 | 74% | 0.739 | S | S | * | * | trans | -147.5 | 88.4 | 154.6 | -155.3 | 75.4 | 0 | 0 | 0 | 113.3 | ||||
| 80 | V | 35 | Very low | 42.8 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 33.4 | 107.4 | 139 | -174.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 81 | T | 33 | Very low | 42.5 | Very low | 148 Ų | 148 | 145 Ų | 145 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | -144.8 | 125 | 119.8 | -51.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 82 | G | 33.6 | Very low | 42.2 | Very low | 65 Ų | 65 | 147.4 Ų | 147.4 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 103.2 | 58.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q84 | G82-Q84 PolarHBondContact O-N 3.39Š|
| 83 | R | 41.7 | Very low | 42.4 | Very low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | 21.5 | 97.1 | 137.3 | -160.2 | 178.9 | -162.1 | 146.6 | 2.4 | 118 | ||||
| 84 | Q | 30.9 | Very low | 42.4 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | 171.7 | 125.9 | 120.5 | -94.2 | -167.9 | 52.2 | 0 | 0 | 111.8 | G82 | G82-Q84 PolarHBondContact O-N 3.39Š| |||
| 85 | P | 45.1 | Very low | 42.3 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -115.3 | 119.3 | 167.6 | 34.3 | -19.9 | 0 | 0 | 0 | 112.3 | ||||
| 86 | H | 36.4 | Very low | 42.7 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | -140.9 | 102 | 148.9 | -78.7 | -75.8 | 0 | 0 | 0 | 104.3 | ||||
| 87 | H | 36 | Very low | 42.9 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | 43.1 | 112.7 | 85 | -150.1 | 23.3 | 0 | 0 | 0 | 109.9 | |||||
| 88 | R | 41.3 | Very low | 43.8 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 68% | 0.683 | 72% | 0.723 | S | S | * | * | cis | 179.2 | 119.1 | 40.5 | 174.4 | 64.3 | 136.4 | 157.8 | 6.1 | 107.6 | ||||
| 89 | E | 45.4 | Very low | 44 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 73% | 0.729 | 71% | 0.71 | S | S | * | * | trans | 19.1 | 100.5 | 146.8 | -58.6 | 175.6 | 121.6 | 0 | 0 | 118.9 | ||||
| 90 | R | 47.3 | Very low | 44.8 | Very low | 235 Ų | 235 | 137.7 Ų | 137.7 | 89% | 0.887 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -164.9 | -6.3 | 147.4 | -152.3 | 149 | -166.9 | 177.7 | 4.5 | 117.1 | ||
| 91 | L | 45.8 | Very low | 45.7 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -123.6 | 25.9 | -167 | -150.6 | 91.8 | 0 | 0 | 0 | 114.8 | ||
| 92 | E | 47.1 | Very low | 46.6 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 73% | 0.729 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -117.2 | -16.8 | 177.4 | -60.4 | -156.7 | 156.2 | 0 | 0 | 112.7 | F94 D96 | E92-F94 PolarHBondContact O-N 2.87Å; E92-D96 PolarHBondContact O-N 3.47Å |
| 93 | T | 53.7 | Low | 47.4 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.4 | -27.2 | 179.9 | -44.2 | 0 | 0 | 0 | 0 | 113.4 | I97 | T93-I97 HydrophobicContact CG2-CD1 3.62Å; T93-I97 HydrophobicContact CG2-CG1 4.42Å; T93-I97 VanDerWaalsContact O-CB 3.3Å; T93-I97 WeakPolarHBondContact O-CB 3.39Å; T93-I97 WeakPolarHBondContact O-CD1 3.27Å; T93-I97 WeakPolarHBondContact O-CG1 3.4Å; T93-I97 PolarHBondContact O-N 2.94Å |
| 94 | F | 52.6 | Low | 47.7 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 75% | 0.754 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.2 | -45.9 | -178.4 | -97.7 | -94.3 | 0 | 0 | 0 | 112.3 | E92 D96 I97 I98 | E92-F94 PolarHBondContact O-N 2.87Å; F94-D96 PolarHBondContact O-N 3.42Å; F94-I97 PolarHBondContact O-N 3.07Å; F94-I98 WeakPolarHBondContact O-CB 3.35Å; F94-I98 WeakPolarHBondContact O-CG1 3.39Å; F94-I98 PolarHBondContact O-N 3.41Å |
| 95 | D | 45.2 | Very low | 48.5 | Very low | 125 Ų | 125 | 123 Ų | 123 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.1 | -37.2 | -177.7 | -109 | -23 | 0 | 0 | 0 | 111.9 | I98 H99 | D95-I98 PolarHBondContact O-N 2.7Å; D95-H99 WeakPolarHBondContact O-CB 3.5Å; D95-H99 PolarHBondContact O-N 2.84Å |
| 96 | D | 53.9 | Low | 48.7 | Very low | 109 Ų | 109 | 123 Ų | 123 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.1 | -40 | 176.9 | -72.9 | -18.4 | 0 | 0 | 0 | 112.9 | E92 F94 I98 H99 S100 | E92-D96 PolarHBondContact O-N 3.47Å; F94-D96 PolarHBondContact O-N 3.42Å; D96-I98 VanDerWaalsContact C-N 3.29Å; D96-I98 PolarHBondContact O-N 3.11Å; D96-H99 PolarHBondContact O-N 3.5Å; D96-S100 WeakPolarHBondContact O-CB 3.34Å; D96-S100 PolarHBondContact O-N 3.16Å; D96-S100 PolarHBondContact O-OG 3.34Å |
| 97 | I | 55.6 | Low | 48.7 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.9 | -36 | 174.6 | -72.2 | 172.7 | 0 | 0 | 0 | 110.9 | T93 F94 S100 S101 | T93-I97 HydrophobicContact CG2-CD1 3.62Å; T93-I97 HydrophobicContact CG2-CG1 4.42Å; T93-I97 VanDerWaalsContact O-CB 3.3Å; T93-I97 WeakPolarHBondContact O-CB 3.39Å; T93-I97 WeakPolarHBondContact O-CD1 3.27Å; T93-I97 WeakPolarHBondContact O-CG1 3.4Å; T93-I97 PolarHBondContact O-N 2.94Å; F94-I97 PolarHBondContact O-N 3.07Å; I97-S100 PolarHBondContact O-OG 3.03Å; I97-S101 WeakPolarHBondContact O-CB 3.37Å; I97-S101 PolarHBondContact O-N 3.47Å |
| 98 | I | 56.8 | Low | 49.2 | Very low | 39 Ų | 39 | 120.9 Ų | 120.9 | 20% | 0.2 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -69.1 | -41 | 175 | -69.3 | -39.3 | 0 | 0 | 0 | 110.5 | F94 D95 D96 L102 R203 | F94-I98 WeakPolarHBondContact O-CB 3.35Å; F94-I98 WeakPolarHBondContact O-CG1 3.39Å; F94-I98 PolarHBondContact O-N 3.41Å; D95-I98 PolarHBondContact O-N 2.7Å; D96-I98 VanDerWaalsContact C-N 3.29Å; D96-I98 PolarHBondContact O-N 3.11Å; I98-L102 HydrophobicContact CG2-CD1 4.08Å; I98-L102 WeakPolarHBondContact O-CD1 3.41Å; I98-L102 WeakPolarHBondContact O-CG 3.08Å; I98-L102 PolarHBondContact O-N 3.45Å; I98-L102 VanDerWaalsContact O-N 3.16Å; I98-R203 VanDerWaalsContact CG1-NH2 3.29Å |
| 99 | H | 51.8 | Low | 49.7 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 50% | 0.5 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -44.6 | 177.6 | -161.8 | -80.1 | 0 | 0 | 0 | 111.8 | D95 D96 S101 L102 E103 | D95-H99 WeakPolarHBondContact O-CB 3.5Å; D95-H99 PolarHBondContact O-N 2.84Å; D96-H99 PolarHBondContact O-N 3.5Å; H99-S101 PolarHBondContact O-N 3.22Å; H99-L102 WeakPolarHBondContact O-CB 3.42Å; H99-L102 PolarHBondContact O-N 3.5Å; H99-L102 VanDerWaalsContact O-N 3.1Å; H99-E103 VanDerWaalsContact CE1-CD 3.43Å; H99-E103 IonicContact CE1-OE1 3.41Å; H99-E103 PolarHBondContact CE1-OE1 3.22Å; H99-E103 IonicContact CE1-OE2 3.47Å; H99-E103 PolarHBondContact CE1-OE2 3.26Å; H99-E103 VanDerWaalsContact ND1-CD 3.28Å; H99-E103 IonicContact ND1-OE1 3.67Å; H99-E103 IonicContact ND1-OE2 2.87Å; H99-E103 PolarHBondContact ND1-OE2 3.01Å; H99-E103 PolarHBondContact O-N 3.09Å; H99-E103 VanDerWaalsContact O-N 3.09Å |
| 100 | S | 52.9 | Low | 49.6 | Very low | 54 Ų | 54 | 118.4 Ų | 118.4 | 38% | 0.378 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.9 | -40.8 | 178.1 | 78.7 | 0 | 0 | 0 | 0 | 111.9 | D96 I97 L102 E103 D104 | D96-S100 WeakPolarHBondContact O-CB 3.34Å; D96-S100 PolarHBondContact O-N 3.16Å; D96-S100 PolarHBondContact O-OG 3.34Å; I97-S100 PolarHBondContact O-OG 3.03Å; S100-L102 PolarHBondContact O-N 3.46Å; S100-E103 PolarHBondContact O-N 2.98Å; S100-D104 PolarHBondContact O-N 3.36Å; S100-D104 VanDerWaalsContact O-N 3.09Å |
| 101 | S | 53.7 | Low | 49.5 | Very low | 67 Ų | 67 | 114.5 Ų | 114.5 | 47% | 0.469 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.9 | -17.9 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | I97 H99 E105 | I97-S101 WeakPolarHBondContact O-CB 3.37Å; I97-S101 PolarHBondContact O-N 3.47Å; H99-S101 PolarHBondContact O-N 3.22Å; S101-E105 WeakPolarHBondContact O-CG 3.15Å |
| 102 | L | 51.2 | Low | 49.6 | Very low | 69 Ų | 69 | 112.3 Ų | 112.3 | 36% | 0.361 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -84 | -37.5 | 173.3 | -70 | 168.7 | 0 | 0 | 0 | 111.1 | I98 H99 S100 Y156 | I98-L102 HydrophobicContact CG2-CD1 4.08Å; I98-L102 WeakPolarHBondContact O-CD1 3.41Å; I98-L102 WeakPolarHBondContact O-CG 3.08Å; I98-L102 PolarHBondContact O-N 3.45Å; I98-L102 VanDerWaalsContact O-N 3.16Å; H99-L102 WeakPolarHBondContact O-CB 3.42Å; H99-L102 PolarHBondContact O-N 3.5Å; H99-L102 VanDerWaalsContact O-N 3.1Å; S100-L102 PolarHBondContact O-N 3.46Å; L102-Y156 HydrophobicContact CD2-CE1 3.84Å; L102-Y156 WeakPolarHBondContact CD2-OH 3.48Å |
| 103 | E | 50.3 | Low | 49.1 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.2 | -33.4 | 179.9 | -70.6 | 172.8 | 123.8 | 0 | 0 | 112.9 | H99 S100 E105 | H99-E103 VanDerWaalsContact CE1-CD 3.43Å; H99-E103 IonicContact CE1-OE1 3.41Å; H99-E103 PolarHBondContact CE1-OE1 3.22Å; H99-E103 IonicContact CE1-OE2 3.47Å; H99-E103 PolarHBondContact CE1-OE2 3.26Å; H99-E103 VanDerWaalsContact ND1-CD 3.28Å; H99-E103 IonicContact ND1-OE1 3.67Å; H99-E103 IonicContact ND1-OE2 2.87Å; H99-E103 PolarHBondContact ND1-OE2 3.01Å; H99-E103 PolarHBondContact O-N 3.09Å; H99-E103 VanDerWaalsContact O-N 3.09Å; S100-E103 PolarHBondContact O-N 2.98Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.39Å |
| 104 | D | 47.9 | Very low | 49.1 | Very low | 116 Ų | 116 | 115.3 Ų | 115.3 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -22.5 | 179.7 | -72.1 | -36.1 | 0 | 0 | 0 | 113.5 | S100 | S100-D104 PolarHBondContact O-N 3.36Å; S100-D104 VanDerWaalsContact O-N 3.09Å |
| 105 | E | 48.3 | Very low | 49.1 | Very low | 74 Ų | 74 | 111.2 Ų | 111.2 | 35% | 0.346 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | -21 | -177 | -67.4 | -78.9 | 124.5 | 0 | 0 | 113.3 | S101 E103 F107 R155 | S101-E105 WeakPolarHBondContact O-CG 3.15Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.39Å; E105-F107 PolarHBondContact O-N 3.14Å; E105-R155 IonicContact OE2-CZ 3.85Å; E105-R155 IonicContact OE2-NH1 2.72Å; E105-R155 PolarHBondContact OE2-NH1 2.78Å |
| 106 | D | 49.1 | Very low | 49.1 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -13.3 | 177.2 | -78.4 | -24.4 | 0 | 0 | 0 | 112.8 | T109 | D106-T109 VanDerWaalsContact C-OG1 3.25Å; D106-T109 WeakPolarHBondContact CA-OG1 3.05Å; D106-T109 PolarHBondContact O-OG1 3.48Å |
| 107 | F | 35.8 | Very low | 49 | Very low | 191 Ų | 191 | 110.5 Ų | 110.5 | 84% | 0.838 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -17.4 | 179.7 | -172.9 | -107 | 0 | 0 | 0 | 113.5 | E105 | E105-F107 PolarHBondContact O-N 3.14Š|
| 108 | V | 48.3 | Very low | 48.7 | Very low | 100 Ų | 100 | 108 Ų | 108 | 61% | 0.606 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -99.4 | -2 | -175.9 | -171 | 0 | 0 | 0 | 0 | 112.3 | R110 | V108-R110 PolarHBondContact O-N 3.35Å; V108-R110 VanDerWaalsContact O-N 3.14Å |
| 109 | T | 50.8 | Low | 48.5 | Very low | 76 Ų | 76 | 112.5 Ų | 112.5 | 47% | 0.466 | 58% | 0.583 | S | S | . | * | trans | -85.3 | 63.8 | -176.4 | 21.8 | 0 | 0 | 0 | 0 | 114.1 | D106 A152 | D106-T109 VanDerWaalsContact C-OG1 3.25Å; D106-T109 WeakPolarHBondContact CA-OG1 3.05Å; D106-T109 PolarHBondContact O-OG1 3.48Å; T109-A152 HydrophobicContact CG2-CB 3.77Å | ||
| 110 | R | 43.7 | Very low | 48.4 | Very low | 209 Ų | 209 | 118.2 Ų | 118.2 | 79% | 0.789 | 60% | 0.6 | S | S | * | * | trans | -131.1 | 54.5 | 172.2 | -168.1 | 145.4 | 64.2 | 141.2 | -1.3 | 113.1 | V108 | V108-R110 PolarHBondContact O-N 3.35Å; V108-R110 VanDerWaalsContact O-N 3.14Å | ||
| 111 | D | 44.9 | Very low | 48.2 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 82% | 0.824 | 62% | 0.615 | S | S | * | * | trans | -124.6 | 84.2 | 164.9 | -82.6 | -57.4 | 0 | 0 | 0 | 108.7 | F113 | D111-F113 PolarHBondContact O-N 3.49Š| ||
| 112 | D | 48.3 | Very low | 48.1 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 63% | 0.631 | 60% | 0.601 | S | S | * | * | trans | -86.2 | 67.5 | -172.4 | -78.3 | -83.9 | 0 | 0 | 0 | 114.3 | ||||
| 113 | F | 36.5 | Very low | 48.5 | Very low | 204 Ų | 204 | 122.2 Ų | 122.2 | 90% | 0.895 | 62% | 0.615 | S | S | * | * | trans | -141.2 | 4.7 | 176 | -125.4 | -89.8 | 0 | 0 | 0 | 119.6 | D111 | D111-F113 PolarHBondContact O-N 3.49Š| ||
| 114 | D | 53.8 | Low | 49.2 | Very low | 106 Ų | 106 | 119.1 Ų | 119.1 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -111.8 | 3.9 | -178.7 | -101.4 | -62.8 | 0 | 0 | 0 | 114.7 | A116 Q118 | D114-A116 PolarHBondContact O-N 3.01Å; D114-Q118 WeakPolarHBondContact O-CB 3.44Å; D114-Q118 PolarHBondContact O-N 2.85Å |
| 115 | D | 52.3 | Low | 50.1 | Low | 85 Ų | 85 | 114.8 Ų | 114.8 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -24.2 | -166.2 | -67 | -69 | 0 | 0 | 0 | 115.5 | L119 | D115-L119 HydrophobicContact CB-CD1 4.33Å; D115-L119 WeakPolarHBondContact O-CB 3.49Å; D115-L119 WeakPolarHBondContact O-CD1 3.18Å; D115-L119 PolarHBondContact O-N 3.27Å; D115-L119 VanDerWaalsContact O-N 3.14Å |
| 116 | A | 45.5 | Very low | 51.2 | Low | 83 Ų | 83 | 113.6 Ų | 113.6 | 69% | 0.686 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.3 | -37.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D114 | D114-A116 PolarHBondContact O-N 3.01Å |
| 117 | D | 52 | Low | 52.2 | Low | 137 Ų | 137 | 109.2 Ų | 109.2 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -93.6 | -25.5 | 178.1 | -71 | -31 | 0 | 0 | 0 | 111.8 | ||
| 118 | Q | 49.3 | Very low | 53.9 | Low | 45 Ų | 45 | 103.6 Ų | 103.6 | 21% | 0.21 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -69.9 | -28.4 | 172.4 | -170.3 | 172.5 | -2.3 | 0 | 0 | 112.8 | D114 R120 G122 | D114-Q118 WeakPolarHBondContact O-CB 3.44Å; D114-Q118 PolarHBondContact O-N 2.85Å; Q118-R120 VanDerWaalsContact C-N 3.32Å; Q118-R120 PolarHBondContact O-N 3.16Å; Q118-G122 WeakPolarHBondContact O-CA 3.3Å; Q118-G122 PolarHBondContact O-N 2.84Å |
| 119 | L | 51.6 | Low | 55 | Low | 132 Ų | 132 | 102.9 Ų | 102.9 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.8 | -24.6 | 178.1 | -112.9 | 89.6 | 0 | 0 | 0 | 114.4 | D115 | D115-L119 HydrophobicContact CB-CD1 4.33Å; D115-L119 WeakPolarHBondContact O-CB 3.49Å; D115-L119 WeakPolarHBondContact O-CD1 3.18Å; D115-L119 PolarHBondContact O-N 3.27Å; D115-L119 VanDerWaalsContact O-N 3.14Å |
| 120 | R | 51.2 | Low | 56 | Low | 228 Ų | 228 | 99.4 Ų | 99.4 | 86% | 0.86 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -96.9 | -26.1 | -178.2 | -72.3 | 177.6 | 70 | -159.3 | 1.9 | 114 | Q118 | Q118-R120 VanDerWaalsContact C-N 3.32Å; Q118-R120 PolarHBondContact O-N 3.16Å |
| 121 | I | 48.6 | Very low | 57.3 | Low | 137 Ų | 137 | 90.9 Ų | 90.9 | 70% | 0.703 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -101.9 | -20 | 176.6 | -112.7 | 72.1 | 0 | 0 | 0 | 112.1 | G125 | I121-G125 WeakPolarHBondContact O-CA 3.18Å |
| 122 | G | 50.9 | Low | 58.4 | Low | 17 Ų | 17 | 88.9 Ų | 88.9 | 18% | 0.175 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 17.2 | -160.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q118 D124 | Q118-G122 WeakPolarHBondContact O-CA 3.3Å; Q118-G122 PolarHBondContact O-N 2.84Å; G122-D124 PolarHBondContact O-N 3.46Å |
| 123 | N | 59.8 | Low | 59.3 | Low | 121 Ų | 121 | 85.9 Ų | 85.9 | 65% | 0.647 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -41.6 | 168.7 | -177.6 | 68 | 0 | 0 | 0 | 111.3 | ||
| 124 | D | 64.9 | Low | 61 | Low | 50 Ų | 50 | 76.2 Ų | 76.2 | 27% | 0.267 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -14.9 | 175.9 | -53 | -74.3 | 0 | 0 | 0 | 111.7 | G122 M128 Y208 | G122-D124 PolarHBondContact O-N 3.46Å; D124-M128 VanDerWaalsContact O-CB 3.28Å; D124-M128 WeakPolarHBondContact O-CB 3.41Å; D124-M128 WeakPolarHBondContact O-CG 3.46Å; D124-M128 PolarHBondContact O-N 3.34Å; D124-Y208 HydrophobicContact CB-CE2 3.92Å; D124-Y208 WeakPolarHBondContact OD1-CE2 3.13Å; D124-Y208 PolarHBondContact OD1-OH 3.09Å |
| 125 | G | 66.8 | Low | 61.5 | Low | 25 Ų | 25 | 74.2 Ų | 74.2 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.9 | -45.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I121 F127 M128 L129 | I121-G125 WeakPolarHBondContact O-CA 3.18Å; G125-F127 VanDerWaalsContact C-N 3.34Å; G125-F127 PolarHBondContact O-N 3.05Å; G125-M128 PolarHBondContact O-N 3.33Å; G125-L129 WeakPolarHBondContact O-CA 3.07Å; G125-L129 WeakPolarHBondContact O-CB 3.29Å; G125-L129 PolarHBondContact O-N 2.94Å |
| 126 | I | 70.6 | Confident | 62.2 | Low | 49 Ų | 49 | 73.8 Ų | 73.8 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | -176.6 | -143.7 | 77.3 | 0 | 0 | 0 | 111.5 | T130 A153 | I126-T130 WeakPolarHBondContact O-CB 3.25Å; I126-T130 PolarHBondContact O-N 3.1Å; I126-T130 VanDerWaalsContact O-N 3.14Å; I126-T130 PolarHBondContact O-OG1 3.37Å; I126-A153 HydrophobicContact CG2-CB 4.09Å |
| 127 | F | 71.3 | Confident | 63 | Low | 26 Ų | 26 | 74.9 Ų | 74.9 | 11% | 0.114 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.6 | -49.7 | 175.8 | 174.8 | -95.8 | 0 | 0 | 0 | 111.2 | G125 F131 G204 Y208 | G125-F127 VanDerWaalsContact C-N 3.34Å; G125-F127 PolarHBondContact O-N 3.05Å; F127-F131 WeakPolarHBondContact O-CB 3.3Å; F127-F131 PolarHBondContact O-N 2.82Å; F127-G204 WeakPolarHBondContact CZ-O 3.48Å; F127-Y208 AromaticContact CD1-CD2 3.52Å; F127-Y208 HydrophobicContact CD1-CD2 3.52Å; F127-Y208 HydrophobicContact CD1-CE2 4.22Å; F127-Y208 AromaticContact CD1-CG 3.92Å; F127-Y208 HydrophobicContact CD1-CG 3.92Å; F127-Y208 HydrophobicContact CE1-CD1 4.47Å; F127-Y208 AromaticContact CE1-CD2 3.79Å; F127-Y208 HydrophobicContact CE1-CD2 3.79Å; F127-Y208 AromaticContact CE1-CG 3.66Å; F127-Y208 HydrophobicContact CE1-CG 3.66Å; F127-Y208 HydrophobicContact CG-CD2 4.23Å; F127-Y208 HydrophobicContact CZ-CG 4.39Å |
| 128 | M | 71.3 | Confident | 64 | Low | 73 Ų | 73 | 72.1 Ų | 72.1 | 36% | 0.36 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 179.3 | -70.8 | -70.3 | -176.8 | 0 | 0 | 112.7 | D124 G125 F132 Y208 | D124-M128 VanDerWaalsContact O-CB 3.28Å; D124-M128 WeakPolarHBondContact O-CB 3.41Å; D124-M128 WeakPolarHBondContact O-CG 3.46Å; D124-M128 PolarHBondContact O-N 3.34Å; G125-M128 PolarHBondContact O-N 3.33Å; M128-F132 WeakPolarHBondContact O-CB 3.42Å; M128-F132 PolarHBondContact O-N 3.28Å; M128-Y208 HydrophobicContact CE-CD1 4.05Å; M128-Y208 HydrophobicContact CE-CE1 3.51Å; M128-Y208 HydrophobicContact CE-CE2 4.1Å |
| 129 | L | 70.6 | Confident | 64.3 | Low | 85 Ų | 85 | 80 Ų | 80 | 45% | 0.445 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.4 | -49.6 | 179.4 | -178.7 | 72.4 | 0 | 0 | 0 | 110.7 | G125 F132 M133 | G125-L129 WeakPolarHBondContact O-CA 3.07Å; G125-L129 WeakPolarHBondContact O-CB 3.29Å; G125-L129 PolarHBondContact O-N 2.94Å; L129-F132 PolarHBondContact O-N 2.88Å; L129-M133 VanDerWaalsContact O-CB 3.25Å; L129-M133 WeakPolarHBondContact O-CB 3.46Å; L129-M133 VanDerWaalsContact O-CG 3.25Å; L129-M133 WeakPolarHBondContact O-CG 3.35Å; L129-M133 PolarHBondContact O-N 3.21Å |
| 130 | T | 73 | Confident | 64.5 | Low | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70 | -37.7 | -179.6 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | I126 A134 S145 A158 | I126-T130 WeakPolarHBondContact O-CB 3.25Å; I126-T130 PolarHBondContact O-N 3.1Å; I126-T130 VanDerWaalsContact O-N 3.14Å; I126-T130 PolarHBondContact O-OG1 3.37Å; T130-A134 VanDerWaalsContact O-CB 3.31Å; T130-A134 WeakPolarHBondContact O-CB 3.34Å; T130-A134 PolarHBondContact O-N 3.25Å; T130-S145 WeakPolarHBondContact CG2-OG 3.49Å; T130-S145 PolarHBondContact O-OG 3.42Å; T130-A158 HydrophobicContact CG2-CB 4.1Å |
| 131 | F | 70.6 | Confident | 65.2 | Low | 29 Ų | 29 | 68.1 Ų | 68.1 | 13% | 0.127 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 171.2 | 166.7 | -102.3 | 0 | 0 | 0 | 112.8 | F127 F135 G157 S160 L164 F201 | F127-F131 WeakPolarHBondContact O-CB 3.3Å; F127-F131 PolarHBondContact O-N 2.82Å; F131-F135 WeakPolarHBondContact O-CB 3.21Å; F131-F135 PolarHBondContact O-N 2.89Å; F131-F135 VanDerWaalsContact O-N 3.08Å; F131-G157 WeakPolarHBondContact CA-O 3Å; F131-S160 WeakPolarHBondContact CD2-OG 3.33Å; F131-L164 HydrophobicContact CE1-CD1 4.25Å; F131-L164 HydrophobicContact CE2-CD1 3.54Å; F131-L164 HydrophobicContact CE2-CG 4.03Å; F131-L164 HydrophobicContact CZ-CD1 3.22Å; F131-L164 HydrophobicContact CZ-CG 4.19Å; F131-F201 HydrophobicContact CE1-CE2 4.48Å; F131-F201 AromaticContact CE2-CD2 3.61Å; F131-F201 HydrophobicContact CE2-CD2 3.61Å; F131-F201 AromaticContact CE2-CE2 3.58Å; F131-F201 HydrophobicContact CE2-CE2 3.58Å; F131-F201 AromaticContact CZ-CD2 3.86Å; F131-F201 HydrophobicContact CZ-CD2 3.86Å; F131-F201 AromaticContact CZ-CE2 3.36Å; F131-F201 HydrophobicContact CZ-CE2 3.36Å; F131-F201 HydrophobicContact CZ-CZ 4.41Å |
| 132 | F | 68.1 | Low | 65.9 | Low | 112 Ų | 112 | 65.2 Ų | 65.2 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.1 | -37.8 | -177.6 | -168.3 | -107.1 | 0 | 0 | 0 | 112.5 | M128 L129 A134 F135 L136 | M128-F132 WeakPolarHBondContact O-CB 3.42Å; M128-F132 PolarHBondContact O-N 3.28Å; L129-F132 PolarHBondContact O-N 2.88Å; F132-A134 VanDerWaalsContact C-N 3.35Å; F132-F135 PolarHBondContact O-N 2.91Å; F132-L136 HydrophobicContact CD1-CD1 3.77Å; F132-L136 HydrophobicContact CD1-CG 4.32Å; F132-L136 HydrophobicContact CE1-CD1 3.24Å; F132-L136 HydrophobicContact CE1-CG 4.04Å; F132-L136 HydrophobicContact CE2-CD1 4.37Å; F132-L136 HydrophobicContact CE2-CD2 4.49Å; F132-L136 HydrophobicContact CE2-CG 4.41Å; F132-L136 HydrophobicContact CZ-CD1 3.59Å; F132-L136 HydrophobicContact CZ-CD2 4.27Å; F132-L136 HydrophobicContact CZ-CG 4.09Å; F132-L136 PolarHBondContact O-N 2.9Å; F132-L136 VanDerWaalsContact O-N 3.09Å |
| 133 | M | 66.6 | Low | 66.3 | Low | 55 Ų | 55 | 71.6 Ų | 71.6 | 27% | 0.271 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 172.6 | -79.8 | -67.4 | -177 | 0 | 0 | 111.7 | L129 F137 G141 L144 | L129-M133 VanDerWaalsContact O-CB 3.25Å; L129-M133 WeakPolarHBondContact O-CB 3.46Å; L129-M133 VanDerWaalsContact O-CG 3.25Å; L129-M133 WeakPolarHBondContact O-CG 3.35Å; L129-M133 PolarHBondContact O-N 3.21Å; M133-F137 WeakPolarHBondContact O-CD2 3.16Å; M133-F137 HydrophobicContact SD-CD2 4.08Å; M133-F137 HydrophobicContact SD-CE2 3.72Å; M133-G141 VanDerWaalsContact O-CA 3.32Å; M133-G141 WeakPolarHBondContact O-CA 3.42Å; M133-L144 HydrophobicContact CG-CD2 4.45Å; M133-L144 HydrophobicContact SD-CD2 4.03Å |
| 134 | A | 71.6 | Confident | 66.3 | Low | 2 Ų | 2 | 69.3 Ų | 69.3 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T130 F132 | T130-A134 VanDerWaalsContact O-CB 3.31Å; T130-A134 WeakPolarHBondContact O-CB 3.34Å; T130-A134 PolarHBondContact O-N 3.25Å; F132-A134 VanDerWaalsContact C-N 3.35Å |
| 135 | F | 65.9 | Low | 66.2 | Low | 64 Ų | 64 | 67 Ų | 67 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.2 | -44 | 179.2 | 171.6 | -115.4 | 0 | 0 | 0 | 113.8 | F131 F132 L164 K168 | F131-F135 WeakPolarHBondContact O-CB 3.21Å; F131-F135 PolarHBondContact O-N 2.89Å; F131-F135 VanDerWaalsContact O-N 3.08Å; F132-F135 PolarHBondContact O-N 2.91Å; F135-L164 HydrophobicContact CD2-CB 3.43Å; F135-L164 VanDerWaalsContact CD2-CB 3.43Å; F135-L164 HydrophobicContact CD2-CD1 3.92Å; F135-L164 HydrophobicContact CD2-CG 4.36Å; F135-L164 HydrophobicContact CE2-CB 3.98Å; F135-L164 HydrophobicContact CE2-CD1 4.28Å; F135-L164 HydrophobicContact CG-CB 4.33Å; F135-L164 HydrophobicContact CG-CD1 4.31Å; F135-K168 HydrophobicContact CE2-CD 4.43Å; F135-K168 PolarHBondContact O-NZ 2.89Å |
| 136 | L | 66 | Low | 65.9 | Low | 76 Ų | 76 | 72.6 Ų | 72.6 | 40% | 0.398 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.1 | -39.7 | -173.3 | -70.1 | -175.9 | 0 | 0 | 0 | 112.7 | F132 K168 | F132-L136 HydrophobicContact CD1-CD1 3.77Å; F132-L136 HydrophobicContact CD1-CG 4.32Å; F132-L136 HydrophobicContact CE1-CD1 3.24Å; F132-L136 HydrophobicContact CE1-CG 4.04Å; F132-L136 HydrophobicContact CE2-CD1 4.37Å; F132-L136 HydrophobicContact CE2-CD2 4.49Å; F132-L136 HydrophobicContact CE2-CG 4.41Å; F132-L136 HydrophobicContact CZ-CD1 3.59Å; F132-L136 HydrophobicContact CZ-CD2 4.27Å; F132-L136 HydrophobicContact CZ-CG 4.09Å; F132-L136 PolarHBondContact O-N 2.9Å; F132-L136 VanDerWaalsContact O-N 3.09Å; L136-K168 PolarHBondContact O-NZ 3.47Å; L136-K168 VanDerWaalsContact O-NZ 3.09Å |
| 137 | F | 62 | Low | 64.9 | Low | 105 Ų | 105 | 74.9 Ų | 74.9 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -97.9 | 14 | -163.8 | -73.2 | -78.5 | 0 | 0 | 0 | 116 | M133 W139 I140 G141 | M133-F137 WeakPolarHBondContact O-CD2 3.16Å; M133-F137 HydrophobicContact SD-CD2 4.08Å; M133-F137 HydrophobicContact SD-CE2 3.72Å; F137-W139 PolarHBondContact O-N 2.72Å; F137-I140 HydrophobicContact CB-CB 4.16Å; F137-I140 HydrophobicContact CB-CG2 3.89Å; F137-I140 HydrophobicContact CD1-CG2 3.96Å; F137-I140 HydrophobicContact CG-CG2 4.11Å; F137-I140 PolarHBondContact O-N 3.37Å; F137-G141 PolarHBondContact O-N 3.27Å |
| 138 | N | 73.1 | Confident | 64.4 | Low | 79 Ų | 79 | 78.2 Ų | 78.2 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -79.2 | 172.6 | -163.7 | 34 | 0 | 0 | 0 | 114.7 | S165 | N138-S165 PolarHBondContact O-OG 3.09Å; N138-S165 VanDerWaalsContact O-OG 3.11Å |
| 139 | W | 55.9 | Low | 63.9 | Low | 211 Ų | 211 | 76.3 Ų | 76.3 | 80% | 0.799 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -31.3 | 176.1 | -155.2 | -2.4 | 0 | 0 | 0 | 112.9 | F137 G141 F143 | F137-W139 PolarHBondContact O-N 2.72Å; W139-G141 VanDerWaalsContact C-N 3.31Å; W139-G141 PolarHBondContact O-N 3.48Å; W139-F143 PolarHBondContact O-N 3.37Å |
| 140 | I | 55.9 | Low | 63.3 | Low | 110 Ų | 110 | 77.6 Ų | 77.6 | 56% | 0.564 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.1 | -35.4 | 173.7 | -91.7 | 65.9 | 0 | 0 | 0 | 110.5 | F137 F142 F143 L144 | F137-I140 HydrophobicContact CB-CB 4.16Å; F137-I140 HydrophobicContact CB-CG2 3.89Å; F137-I140 HydrophobicContact CD1-CG2 3.96Å; F137-I140 HydrophobicContact CG-CG2 4.11Å; F137-I140 PolarHBondContact O-N 3.37Å; I140-F142 VanDerWaalsContact C-N 3.32Å; I140-F142 PolarHBondContact O-N 3.39Å; I140-F143 PolarHBondContact O-N 3.04Å; I140-L144 VanDerWaalsContact O-CB 3.27Å; I140-L144 WeakPolarHBondContact O-CB 3.43Å; I140-L144 PolarHBondContact O-N 3.39Å |
| 141 | G | 66.1 | Low | 62.3 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.4 | -31.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M133 F137 W139 S145 | M133-G141 VanDerWaalsContact O-CA 3.32Å; M133-G141 WeakPolarHBondContact O-CA 3.42Å; F137-G141 PolarHBondContact O-N 3.27Å; W139-G141 VanDerWaalsContact C-N 3.31Å; W139-G141 PolarHBondContact O-N 3.48Å; G141-S145 WeakPolarHBondContact O-CB 3.49Å; G141-S145 PolarHBondContact O-N 3.21Å; G141-S145 PolarHBondContact O-OG 3.14Å |
| 142 | F | 62.6 | Low | 61.4 | Low | 76 Ų | 76 | 79.5 Ų | 79.5 | 33% | 0.333 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 173.6 | -175.1 | -99.3 | 0 | 0 | 0 | 110.9 | I140 S145 F146 F162 | I140-F142 VanDerWaalsContact C-N 3.32Å; I140-F142 PolarHBondContact O-N 3.39Å; F142-S145 PolarHBondContact O-N 3.22Å; F142-F146 HydrophobicContact CE1-CD2 4.06Å; F142-F146 HydrophobicContact CE1-CE2 4.22Å; F142-F146 HydrophobicContact CZ-CD2 4.11Å; F142-F146 AromaticContact CZ-CE2 3.99Å; F142-F146 HydrophobicContact CZ-CE2 3.99Å; F142-F146 PolarHBondContact O-N 3.15Å; F142-F162 HydrophobicContact CD2-CB 4.41Å; F142-F162 HydrophobicContact CD2-CD2 4.15Å; F142-F162 HydrophobicContact CE2-CD2 4.3Å |
| 143 | F | 59.7 | Low | 60.8 | Low | 152 Ų | 152 | 76.3 Ų | 76.3 | 67% | 0.667 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.3 | -40.7 | 177.9 | -152.1 | -87 | 0 | 0 | 0 | 112.3 | W139 I140 S145 F146 C147 | W139-F143 PolarHBondContact O-N 3.37Å; I140-F143 PolarHBondContact O-N 3.04Å; F143-S145 VanDerWaalsContact C-N 3.32Å; F143-F146 WeakPolarHBondContact O-CB 3.01Å; F143-F146 PolarHBondContact O-N 3.38Å; F143-C147 PolarHBondContact O-N 2.76Å |
| 144 | L | 59.2 | Low | 60.6 | Low | 73 Ų | 73 | 73.9 Ų | 73.9 | 38% | 0.382 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.7 | -33.8 | 175.8 | -156.6 | 119.9 | 0 | 0 | 0 | 111.4 | M133 I140 C147 L148 | M133-L144 HydrophobicContact CG-CD2 4.45Å; M133-L144 HydrophobicContact SD-CD2 4.03Å; I140-L144 VanDerWaalsContact O-CB 3.27Å; I140-L144 WeakPolarHBondContact O-CB 3.43Å; I140-L144 PolarHBondContact O-N 3.39Å; L144-C147 PolarHBondContact O-N 3.33Å; L144-L148 HydrophobicContact CD2-CD1 3.84Å; L144-L148 WeakPolarHBondContact O-CB 3.1Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.22Å; L144-L148 PolarHBondContact O-N 2.72Å |
| 145 | S | 63 | Low | 60.4 | Low | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 170.8 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | T130 G141 F142 F143 L148 T149 | T130-S145 WeakPolarHBondContact CG2-OG 3.49Å; T130-S145 PolarHBondContact O-OG 3.42Å; G141-S145 WeakPolarHBondContact O-CB 3.49Å; G141-S145 PolarHBondContact O-N 3.21Å; G141-S145 PolarHBondContact O-OG 3.14Å; F142-S145 PolarHBondContact O-N 3.22Å; F143-S145 VanDerWaalsContact C-N 3.32Å; S145-L148 CarbonylContact O-C 3.6Å; S145-L148 PolarHBondContact O-N 3.38Å; S145-T149 PolarHBondContact O-N 2.76Å; S145-T149 VanDerWaalsContact O-N 3.09Å; S145-T149 PolarHBondContact O-OG1 2.62Å |
| 146 | F | 61 | Low | 60.6 | Low | 142 Ų | 142 | 79.5 Ų | 79.5 | 62% | 0.623 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.6 | -38.4 | 172.5 | -119.1 | -86.6 | 0 | 0 | 0 | 112.1 | F142 F143 T149 | F142-F146 HydrophobicContact CE1-CD2 4.06Å; F142-F146 HydrophobicContact CE1-CE2 4.22Å; F142-F146 HydrophobicContact CZ-CD2 4.11Å; F142-F146 AromaticContact CZ-CE2 3.99Å; F142-F146 HydrophobicContact CZ-CE2 3.99Å; F142-F146 PolarHBondContact O-N 3.15Å; F143-F146 WeakPolarHBondContact O-CB 3.01Å; F143-F146 PolarHBondContact O-N 3.38Å; F146-T149 WeakPolarHBondContact O-CB 3.36Å; F146-T149 PolarHBondContact O-N 3.36Å |
| 147 | C | 50.7 | Low | 61 | Low | 97 Ų | 97 | 75.9 Ų | 75.9 | 66% | 0.655 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.5 | -29 | 173.8 | -80.1 | 0 | 0 | 0 | 0 | 113.8 | F143 L144 T149 | F143-C147 PolarHBondContact O-N 2.76Å; L144-C147 PolarHBondContact O-N 3.33Å; C147-T149 VanDerWaalsContact C-N 3.31Å |
| 148 | L | 58.9 | Low | 61.6 | Low | 97 Ų | 97 | 71.3 Ų | 71.3 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -1.1 | 174.2 | -67.9 | 170.3 | 0 | 0 | 0 | 112.6 | L144 S145 T150 | L144-L148 HydrophobicContact CD2-CD1 3.84Å; L144-L148 WeakPolarHBondContact O-CB 3.1Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.22Å; L144-L148 PolarHBondContact O-N 2.72Å; S145-L148 CarbonylContact O-C 3.6Å; S145-L148 PolarHBondContact O-N 3.38Å; L148-T150 PolarHBondContact O-N 3.06Å; L148-T150 VanDerWaalsContact O-N 3.14Å |
| 149 | T | 61.8 | Low | 61.7 | Low | 33 Ų | 33 | 72 Ų | 72 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | trans | -86 | 77.5 | -178.6 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | S145 F146 C147 R155 | S145-T149 PolarHBondContact O-N 2.76Å; S145-T149 VanDerWaalsContact O-N 3.09Å; S145-T149 PolarHBondContact O-OG1 2.62Å; F146-T149 WeakPolarHBondContact O-CB 3.36Å; F146-T149 PolarHBondContact O-N 3.36Å; C147-T149 VanDerWaalsContact C-N 3.31Å; T149-R155 HydrophobicContact CG2-CG 3.57Å | ||
| 150 | T | 58.7 | Low | 62.7 | Low | 112 Ų | 112 | 62 Ų | 62 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -95.8 | -0.6 | 160.6 | -159.6 | 0 | 0 | 0 | 0 | 112.3 | L148 | L148-T150 PolarHBondContact O-N 3.06Å; L148-T150 VanDerWaalsContact O-N 3.14Å |
| 151 | S | 51.7 | Low | 63.9 | Low | 45 Ų | 45 | 56.8 Ų | 56.8 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -140.6 | 142 | -171 | -178.2 | 0 | 0 | 0 | 0 | 113 | A153 G154 | S151-A153 VanDerWaalsContact C-N 3.27Å; S151-A153 PolarHBondContact O-N 3.14Å; S151-G154 PolarHBondContact O-N 3.25Å; S151-G154 VanDerWaalsContact O-N 3.14Å |
| 152 | A | 50.7 | Low | 64.4 | Low | 27 Ų | 27 | 61 Ų | 61 | 22% | 0.223 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.4 | -29.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | T109 G154 R155 Y156 | T109-A152 HydrophobicContact CG2-CB 3.77Å; A152-G154 VanDerWaalsContact C-N 3.29Å; A152-G154 PolarHBondContact O-N 3.14Å; A152-R155 PolarHBondContact O-N 3.26Å; A152-Y156 WeakPolarHBondContact O-CD2 3.24Å |
| 153 | A | 55 | Low | 65.4 | Low | 45 Ų | 45 | 57.4 Ų | 57.4 | 37% | 0.372 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.5 | -29.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I126 S151 R155 | I126-A153 HydrophobicContact CG2-CB 4.09Å; S151-A153 VanDerWaalsContact C-N 3.27Å; S151-A153 PolarHBondContact O-N 3.14Å; A153-R155 VanDerWaalsContact C-N 3.35Å |
| 154 | G | 62.4 | Low | 66.3 | Low | 5 Ų | 5 | 51.5 Ų | 51.5 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.2 | -28.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S151 A152 G157 A158 | S151-G154 PolarHBondContact O-N 3.25Å; S151-G154 VanDerWaalsContact O-N 3.14Å; A152-G154 VanDerWaalsContact C-N 3.29Å; A152-G154 PolarHBondContact O-N 3.14Å; G154-G157 PolarHBondContact O-N 2.8Å; G154-A158 WeakPolarHBondContact O-CB 3.41Å; G154-A158 PolarHBondContact O-N 3.09Å |
| 155 | R | 67.3 | Low | 67.5 | Low | 109 Ų | 109 | 48.4 Ų | 48.4 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | -177.4 | -63.1 | -177 | -179.7 | -174.3 | -0.2 | 111.9 | E105 T149 A152 A153 A158 I159 | E105-R155 IonicContact OE2-CZ 3.85Å; E105-R155 IonicContact OE2-NH1 2.72Å; E105-R155 PolarHBondContact OE2-NH1 2.78Å; T149-R155 HydrophobicContact CG2-CG 3.57Å; A152-R155 PolarHBondContact O-N 3.26Å; A153-R155 VanDerWaalsContact C-N 3.35Å; R155-A158 PolarHBondContact O-N 3.17Å; R155-I159 WeakPolarHBondContact O-CD1 3.21Å; R155-I159 VanDerWaalsContact O-CG1 3.28Å; R155-I159 WeakPolarHBondContact O-CG1 3.48Å; R155-I159 PolarHBondContact O-N 3.32Å |
| 156 | Y | 71.3 | Confident | 68.3 | Low | 75 Ų | 75 | 50 Ų | 50 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68 | -34.6 | 175.6 | -59.1 | -73.5 | 0 | 0 | 0 | 112.8 | L102 A152 S160 | L102-Y156 HydrophobicContact CD2-CE1 3.84Å; L102-Y156 WeakPolarHBondContact CD2-OH 3.48Å; A152-Y156 WeakPolarHBondContact O-CD2 3.24Å; Y156-S160 WeakPolarHBondContact O-CB 3.24Å; Y156-S160 PolarHBondContact O-N 3.05Å; Y156-S160 VanDerWaalsContact O-N 3.17Å; Y156-S160 PolarHBondContact O-OG 2.87Å; Y156-S160 VanDerWaalsContact O-OG 3.09Å |
| 157 | G | 74.3 | Confident | 69.4 | Low | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -40.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F131 G154 S160 G161 | F131-G157 WeakPolarHBondContact CA-O 3Å; G154-G157 PolarHBondContact O-N 2.8Å; G157-S160 PolarHBondContact O-N 2.79Å; G157-S160 PolarHBondContact O-OG 3.45Å; G157-G161 PolarHBondContact O-N 3.45Å |
| 158 | A | 74.6 | Confident | 71 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T130 G154 R155 G161 F162 | T130-A158 HydrophobicContact CG2-CB 4.1Å; G154-A158 WeakPolarHBondContact O-CB 3.41Å; G154-A158 PolarHBondContact O-N 3.09Å; R155-A158 PolarHBondContact O-N 3.17Å; A158-G161 PolarHBondContact O-N 2.92Å; A158-F162 WeakPolarHBondContact O-CB 3.28Å; A158-F162 PolarHBondContact O-N 3.42Å |
| 159 | I | 74.1 | Confident | 72.2 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.4 | -65.9 | 160.9 | 0 | 0 | 0 | 111 | R155 G163 L200 | R155-I159 WeakPolarHBondContact O-CD1 3.21Å; R155-I159 VanDerWaalsContact O-CG1 3.28Å; R155-I159 WeakPolarHBondContact O-CG1 3.48Å; R155-I159 PolarHBondContact O-N 3.32Å; I159-G163 PolarHBondContact O-N 3.43Å; I159-L200 HydrophobicContact CG2-CD2 4.39Å |
| 160 | S | 78.8 | Confident | 73.1 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.8 | -34.3 | 176.1 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | F131 Y156 G157 G163 L164 | F131-S160 WeakPolarHBondContact CD2-OG 3.33Å; Y156-S160 WeakPolarHBondContact O-CB 3.24Å; Y156-S160 PolarHBondContact O-N 3.05Å; Y156-S160 VanDerWaalsContact O-N 3.17Å; Y156-S160 PolarHBondContact O-OG 2.87Å; Y156-S160 VanDerWaalsContact O-OG 3.09Å; G157-S160 PolarHBondContact O-N 2.79Å; G157-S160 PolarHBondContact O-OG 3.45Å; S160-G163 PolarHBondContact O-N 2.97Å; S160-L164 PolarHBondContact O-N 3.2Å |
| 161 | G | 79.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.3 | -33.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G157 A158 G163 L164 S165 | G157-G161 PolarHBondContact O-N 3.45Å; A158-G161 PolarHBondContact O-N 2.92Å; G161-G163 VanDerWaalsContact C-N 3.33Å; G161-L164 PolarHBondContact O-N 2.86Å; G161-S165 PolarHBondContact O-N 3.25Å |
| 162 | F | 77.8 | Confident | 75.4 | Confident | 88 Ų | 88 | 46 Ų | 46 | 39% | 0.386 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 169.7 | 175.1 | -102 | 0 | 0 | 0 | 111.7 | F142 A158 L164 S165 L166 | F142-F162 HydrophobicContact CD2-CB 4.41Å; F142-F162 HydrophobicContact CD2-CD2 4.15Å; F142-F162 HydrophobicContact CE2-CD2 4.3Å; A158-F162 WeakPolarHBondContact O-CB 3.28Å; A158-F162 PolarHBondContact O-N 3.42Å; F162-L164 VanDerWaalsContact C-N 3.32Å; F162-L164 PolarHBondContact O-N 3.26Å; F162-S165 PolarHBondContact O-N 3.49Å; F162-L166 HydrophobicContact CE1-CD1 3.91Å; F162-L166 HydrophobicContact CZ-CD1 3.94Å; F162-L166 VanDerWaalsContact O-CB 3.29Å; F162-L166 WeakPolarHBondContact O-CB 3.42Å; F162-L166 PolarHBondContact O-N 3.27Å |
| 163 | G | 82.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.2 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I159 S160 G161 I167 | I159-G163 PolarHBondContact O-N 3.43Å; S160-G163 PolarHBondContact O-N 2.97Å; G161-G163 VanDerWaalsContact C-N 3.33Å; G163-I167 WeakPolarHBondContact O-CD1 3.38Å; G163-I167 VanDerWaalsContact O-CG1 3.27Å; G163-I167 WeakPolarHBondContact O-CG1 3.28Å; G163-I167 PolarHBondContact O-N 2.93Å |
| 164 | L | 79.5 | Confident | 77.6 | Confident | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76 | -33.8 | 175.7 | -68.5 | -169.1 | 0 | 0 | 0 | 113.9 | F131 F135 S160 G161 F162 L166 I167 K168 F201 | F131-L164 HydrophobicContact CE1-CD1 4.25Å; F131-L164 HydrophobicContact CE2-CD1 3.54Å; F131-L164 HydrophobicContact CE2-CG 4.03Å; F131-L164 HydrophobicContact CZ-CD1 3.22Å; F131-L164 HydrophobicContact CZ-CG 4.19Å; F135-L164 HydrophobicContact CD2-CB 3.43Å; F135-L164 VanDerWaalsContact CD2-CB 3.43Å; F135-L164 HydrophobicContact CD2-CD1 3.92Å; F135-L164 HydrophobicContact CD2-CG 4.36Å; F135-L164 HydrophobicContact CE2-CB 3.98Å; F135-L164 HydrophobicContact CE2-CD1 4.28Å; F135-L164 HydrophobicContact CG-CB 4.33Å; F135-L164 HydrophobicContact CG-CD1 4.31Å; S160-L164 PolarHBondContact O-N 3.2Å; G161-L164 PolarHBondContact O-N 2.86Å; F162-L164 VanDerWaalsContact C-N 3.32Å; F162-L164 PolarHBondContact O-N 3.26Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L164-I167 HydrophobicContact CD2-CD1 3.69Å; L164-I167 PolarHBondContact O-N 3.27Å; L164-K168 VanDerWaalsContact O-CB 3.27Å; L164-K168 WeakPolarHBondContact O-CB 3.13Å; L164-K168 PolarHBondContact O-N 3.43Å; L164-F201 HydrophobicContact CD1-CD2 4.02Å; L164-F201 HydrophobicContact CD1-CE2 4.12Å; L164-F201 HydrophobicContact CD2-CB 3.95Å; L164-F201 HydrophobicContact CD2-CD1 4.21Å; L164-F201 HydrophobicContact CD2-CD2 3.85Å; L164-F201 HydrophobicContact CD2-CE2 4.46Å; L164-F201 HydrophobicContact CD2-CG 3.71Å; L164-F201 HydrophobicContact CG-CB 4.37Å; L164-F201 HydrophobicContact CG-CD2 3.81Å; L164-F201 HydrophobicContact CG-CE2 4.4Å; L164-F201 HydrophobicContact CG-CG 4.15Å |
| 165 | S | 83.7 | Confident | 77.8 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 171 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | N138 G161 F162 K168 W169 | N138-S165 PolarHBondContact O-OG 3.09Å; N138-S165 VanDerWaalsContact O-OG 3.11Å; G161-S165 PolarHBondContact O-N 3.25Å; F162-S165 PolarHBondContact O-N 3.49Å; S165-K168 PolarHBondContact O-N 3.27Å; S165-W169 VanDerWaalsContact O-CB 3.31Å; S165-W169 WeakPolarHBondContact O-CB 3.45Å; S165-W169 PolarHBondContact O-N 2.59Å |
| 166 | L | 79.8 | Confident | 78 | Confident | 33 Ų | 33 | 55 Ų | 55 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 173.7 | -172.9 | 132.8 | 0 | 0 | 0 | 111 | F162 L164 K168 W169 I170 | F162-L166 HydrophobicContact CE1-CD1 3.91Å; F162-L166 HydrophobicContact CZ-CD1 3.94Å; F162-L166 VanDerWaalsContact O-CB 3.29Å; F162-L166 WeakPolarHBondContact O-CB 3.42Å; F162-L166 PolarHBondContact O-N 3.27Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L166-K168 PolarHBondContact O-N 3.33Å; L166-W169 PolarHBondContact O-N 2.87Å; L166-I170 HydrophobicContact CD2-CD1 3.31Å; L166-I170 HydrophobicContact CG-CD1 3.76Å; L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.3Å; L166-I170 PolarHBondContact O-N 3.02Å |
| 167 | I | 84.7 | Confident | 77.6 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 173.4 | -70.6 | 157.6 | 0 | 0 | 0 | 111.3 | G163 L164 W169 I170 L171 G197 F198 | G163-I167 WeakPolarHBondContact O-CD1 3.38Å; G163-I167 VanDerWaalsContact O-CG1 3.27Å; G163-I167 WeakPolarHBondContact O-CG1 3.28Å; G163-I167 PolarHBondContact O-N 2.93Å; L164-I167 HydrophobicContact CD2-CD1 3.69Å; L164-I167 PolarHBondContact O-N 3.27Å; I167-W169 VanDerWaalsContact C-N 3.34Å; I167-W169 PolarHBondContact O-N 2.94Å; I167-I170 PolarHBondContact O-N 3.36Å; I167-L171 HydrophobicContact CG2-CD1 3.41Å; I167-L171 VanDerWaalsContact CG2-CD1 3.41Å; I167-L171 WeakPolarHBondContact O-CB 3.41Å; I167-L171 VanDerWaalsContact O-CD1 3.25Å; I167-L171 WeakPolarHBondContact O-CD1 3.2Å; I167-L171 PolarHBondContact O-N 3.14Å; I167-G197 WeakPolarHBondContact CD1-O 3.15Å; I167-F198 HydrophobicContact CD1-CB 4.41Å |
| 168 | K | 83.6 | Confident | 77.1 | Confident | 66 Ų | 66 | 62.6 Ų | 62.6 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 178.1 | 171.9 | 177.1 | 162.8 | -178.5 | 0 | 111.5 | F135 L136 L164 S165 L166 L171 I172 | F135-K168 HydrophobicContact CE2-CD 4.43Å; F135-K168 PolarHBondContact O-NZ 2.89Å; L136-K168 PolarHBondContact O-NZ 3.47Å; L136-K168 VanDerWaalsContact O-NZ 3.09Å; L164-K168 VanDerWaalsContact O-CB 3.27Å; L164-K168 WeakPolarHBondContact O-CB 3.13Å; L164-K168 PolarHBondContact O-N 3.43Å; S165-K168 PolarHBondContact O-N 3.27Å; L166-K168 PolarHBondContact O-N 3.33Å; K168-L171 PolarHBondContact O-N 2.78Å; K168-I172 HydrophobicContact CG-CD1 4.09Å; K168-I172 WeakPolarHBondContact O-CD1 3.46Å; K168-I172 WeakPolarHBondContact O-CG1 3.39Å; K168-I172 PolarHBondContact O-N 3.35Å |
| 169 | W | 83.9 | Confident | 76 | Confident | 146 Ų | 146 | 71.6 Ų | 71.6 | 55% | 0.553 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 176.4 | -172.9 | 84 | 0 | 0 | 0 | 111.7 | S165 L166 I167 L171 I172 V173 | S165-W169 VanDerWaalsContact O-CB 3.31Å; S165-W169 WeakPolarHBondContact O-CB 3.45Å; S165-W169 PolarHBondContact O-N 2.59Å; L166-W169 PolarHBondContact O-N 2.87Å; I167-W169 VanDerWaalsContact C-N 3.34Å; I167-W169 PolarHBondContact O-N 2.94Å; W169-L171 VanDerWaalsContact C-N 3.32Å; W169-L171 PolarHBondContact O-N 3.46Å; W169-I172 PolarHBondContact O-N 3.33Å; W169-V173 HydrophobicContact CD2-CG2 3.93Å; W169-V173 HydrophobicContact CE3-CG2 4Å; W169-V173 HydrophobicContact CH2-CG2 3.95Å; W169-V173 HydrophobicContact CZ2-CG2 3.87Å; W169-V173 HydrophobicContact CZ3-CG2 4.01Å; W169-V173 WeakPolarHBondContact O-CB 3.47Å; W169-V173 VanDerWaalsContact O-CG2 3.3Å; W169-V173 WeakPolarHBondContact O-CG2 3.4Å; W169-V173 PolarHBondContact O-N 2.95Å |
| 170 | I | 81.4 | Confident | 75.2 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | 175.5 | -68.9 | 156.5 | 0 | 0 | 0 | 111.8 | L166 I167 R174 W190 F193 | L166-I170 HydrophobicContact CD2-CD1 3.31Å; L166-I170 HydrophobicContact CG-CD1 3.76Å; L166-I170 WeakPolarHBondContact O-CB 3.48Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 WeakPolarHBondContact O-CG1 3.3Å; L166-I170 PolarHBondContact O-N 3.02Å; I167-I170 PolarHBondContact O-N 3.36Å; I170-R174 WeakPolarHBondContact O-CB 3.12Å; I170-R174 PolarHBondContact O-N 2.87Å; I170-W190 VanDerWaalsContact CG2-CD1 3.42Å; I170-W190 HydrophobicContact CG2-CG 4.46Å; I170-F193 HydrophobicContact CD1-CB 3.6Å; I170-F193 WeakPolarHBondContact CD1-O 3.44Å; I170-F193 HydrophobicContact CG1-CB 4.26Å |
| 171 | L | 78.9 | Confident | 74.2 | Confident | 95 Ų | 95 | 75.1 Ų | 75.1 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 173.5 | -99.3 | 114.7 | 0 | 0 | 0 | 111.4 | I167 K168 W169 R174 F175 | I167-L171 HydrophobicContact CG2-CD1 3.41Å; I167-L171 VanDerWaalsContact CG2-CD1 3.41Å; I167-L171 WeakPolarHBondContact O-CB 3.41Å; I167-L171 VanDerWaalsContact O-CD1 3.25Å; I167-L171 WeakPolarHBondContact O-CD1 3.2Å; I167-L171 PolarHBondContact O-N 3.14Å; K168-L171 PolarHBondContact O-N 2.78Å; W169-L171 VanDerWaalsContact C-N 3.32Å; W169-L171 PolarHBondContact O-N 3.46Å; L171-R174 PolarHBondContact O-N 3.29Å; L171-F175 WeakPolarHBondContact O-CB 3.26Å; L171-F175 PolarHBondContact O-N 3.2Å |
| 172 | I | 80.7 | Confident | 73 | Confident | 101 Ų | 101 | 85.2 Ų | 85.2 | 52% | 0.518 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 176.5 | -70 | 157.7 | 0 | 0 | 0 | 110.6 | K168 W169 R174 F175 S176 | K168-I172 HydrophobicContact CG-CD1 4.09Å; K168-I172 WeakPolarHBondContact O-CD1 3.46Å; K168-I172 WeakPolarHBondContact O-CG1 3.39Å; K168-I172 PolarHBondContact O-N 3.35Å; W169-I172 PolarHBondContact O-N 3.33Å; I172-R174 VanDerWaalsContact C-N 3.27Å; I172-R174 PolarHBondContact O-N 2.84Å; I172-F175 PolarHBondContact O-N 2.74Å; I172-S176 VanDerWaalsContact O-CB 3.28Å; I172-S176 WeakPolarHBondContact O-CB 3.43Å; I172-S176 PolarHBondContact O-N 3.3Å |
| 173 | V | 76.1 | Confident | 71.8 | Confident | 56 Ų | 56 | 87.6 Ų | 87.6 | 34% | 0.339 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | W169 S176 T177 | W169-V173 HydrophobicContact CD2-CG2 3.93Å; W169-V173 HydrophobicContact CE3-CG2 4Å; W169-V173 HydrophobicContact CH2-CG2 3.95Å; W169-V173 HydrophobicContact CZ2-CG2 3.87Å; W169-V173 HydrophobicContact CZ3-CG2 4.01Å; W169-V173 WeakPolarHBondContact O-CB 3.47Å; W169-V173 VanDerWaalsContact O-CG2 3.3Å; W169-V173 WeakPolarHBondContact O-CG2 3.4Å; W169-V173 PolarHBondContact O-N 2.95Å; V173-S176 WeakPolarHBondContact O-CB 3.31Å; V173-S176 PolarHBondContact O-N 3.43Å; V173-T177 WeakPolarHBondContact O-CG2 3.48Å; V173-T177 PolarHBondContact O-N 3.42Å; V173-T177 PolarHBondContact O-OG1 3.01Å |
| 174 | R | 73.9 | Confident | 70.7 | Confident | 60 Ų | 60 | 94.8 Ų | 94.8 | 23% | 0.226 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 179 | -175.9 | 63.5 | -178.1 | 81.6 | 1.8 | 114 | I170 L171 I172 S176 T177 Y178 W190 | I170-R174 WeakPolarHBondContact O-CB 3.12Å; I170-R174 PolarHBondContact O-N 2.87Å; L171-R174 PolarHBondContact O-N 3.29Å; I172-R174 VanDerWaalsContact C-N 3.27Å; I172-R174 PolarHBondContact O-N 2.84Å; R174-S176 VanDerWaalsContact C-N 3.31Å; R174-T177 PolarHBondContact O-OG1 2.73Å; R174-Y178 VanDerWaalsContact NH1-CE2 3.31Å; R174-Y178 WeakPolarHBondContact O-CD2 3.39Å; R174-Y178 PolarHBondContact O-N 2.9Å; R174-W190 HydrophobicContact CB-CZ2 4.13Å; R174-W190 HydrophobicContact CG-CD2 4.45Å; R174-W190 HydrophobicContact CG-CH2 4.42Å; R174-W190 HydrophobicContact CG-CZ2 3.57Å |
| 175 | F | 68 | Low | 69.9 | Low | 162 Ų | 162 | 96.7 Ų | 96.7 | 71% | 0.711 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.9 | -30.6 | 175.7 | -128 | -85.6 | 0 | 0 | 0 | 111.3 | L171 I172 Y178 | L171-F175 WeakPolarHBondContact O-CB 3.26Å; L171-F175 PolarHBondContact O-N 3.2Å; I172-F175 PolarHBondContact O-N 2.74Å; F175-Y178 WeakPolarHBondContact O-CB 3.31Å |
| 176 | S | 70.6 | Confident | 69 | Low | 98 Ų | 98 | 102 Ų | 102 | 69% | 0.685 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.2 | -38.5 | 173.8 | 179 | 0 | 0 | 0 | 0 | 112.2 | I172 V173 R174 Y178 | I172-S176 VanDerWaalsContact O-CB 3.28Å; I172-S176 WeakPolarHBondContact O-CB 3.43Å; I172-S176 PolarHBondContact O-N 3.3Å; V173-S176 WeakPolarHBondContact O-CB 3.31Å; V173-S176 PolarHBondContact O-N 3.43Å; R174-S176 VanDerWaalsContact C-N 3.31Å; S176-Y178 VanDerWaalsContact C-N 3.26Å; S176-Y178 PolarHBondContact O-N 3.02Å |
| 177 | T | 64.3 | Low | 68.7 | Low | 86 Ų | 86 | 104.9 Ų | 104.9 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 22.6 | 177.1 | 66.3 | 0 | 0 | 0 | 0 | 113.2 | V173 R174 F179 | V173-T177 WeakPolarHBondContact O-CG2 3.48Å; V173-T177 PolarHBondContact O-N 3.42Å; V173-T177 PolarHBondContact O-OG1 3.01Å; R174-T177 PolarHBondContact O-OG1 2.73Å; T177-F179 PolarHBondContact O-N 3.46Å |
| 178 | Y | 61.9 | Low | 68.5 | Low | 149 Ų | 149 | 112.7 Ų | 112.7 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | trans | -77.4 | 9.6 | -178.9 | -134.3 | -86.1 | 0 | 0 | 0 | 113.7 | R174 F175 S176 | R174-Y178 VanDerWaalsContact NH1-CE2 3.31Å; R174-Y178 WeakPolarHBondContact O-CD2 3.39Å; R174-Y178 PolarHBondContact O-N 2.9Å; F175-Y178 WeakPolarHBondContact O-CB 3.31Å; S176-Y178 VanDerWaalsContact C-N 3.26Å; S176-Y178 PolarHBondContact O-N 3.02Å | ||
| 179 | F | 52.7 | Low | 68.2 | Low | 198 Ų | 198 | 113.4 Ų | 113.4 | 87% | 0.868 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -81.5 | 130 | 165 | -99.8 | -85.8 | 0 | 0 | 0 | 110.5 | T177 | T177-F179 PolarHBondContact O-N 3.46Š|
| 180 | P | 57.3 | Low | 68 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 76% | 0.76 | 55% | 0.551 | S | S | * | * | trans | -95 | 141.8 | -154.2 | 35.1 | -27.3 | 0 | 0 | 0 | 112 | ||||
| 181 | G | 57 | Low | 68.2 | Low | 52 Ų | 52 | 116.1 Ų | 116.1 | 54% | 0.536 | 58% | 0.575 | S | S | . | * | S | Bend | trans | 131.3 | 11.3 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||
| 182 | Y | 55.2 | Low | 68.5 | Low | 211 Ų | 211 | 114.1 Ų | 114.1 | 83% | 0.827 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -143.1 | 5 | -175.1 | -106.1 | -83.5 | 0 | 0 | 0 | 120.2 | ||
| 183 | F | 52.3 | Low | 68.6 | Low | 139 Ų | 139 | 113.4 Ų | 113.4 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | trans | -127.6 | 57.2 | -177.9 | -75.6 | -76.5 | 0 | 0 | 0 | 113.9 | G185 Q186 Y187 | F183-G185 PolarHBondContact O-N 2.92Å; F183-Q186 PolarHBondContact O-N 3.4Å; F183-Q186 VanDerWaalsContact O-N 3.1Å; F183-Y187 WeakPolarHBondContact O-CD2 3.24Å; F183-Y187 WeakPolarHBondContact O-CE2 3.48Å | ||
| 184 | D | 60.2 | Low | 69.1 | Low | 150 Ų | 150 | 112.8 Ų | 112.8 | 80% | 0.802 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -7.8 | 170.9 | -76.7 | -46.2 | 0 | 0 | 0 | 114.6 | ||
| 185 | G | 62.1 | Low | 69.8 | Low | 70 Ų | 70 | 113.2 Ų | 113.2 | 72% | 0.722 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -19.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | F183 | F183-G185 PolarHBondContact O-N 2.92Š|
| 186 | Q | 64.3 | Low | 70.6 | Confident | 119 Ų | 119 | 109.4 Ų | 109.4 | 56% | 0.556 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -4.5 | -168.6 | -85.7 | 175.9 | -29 | 0 | 0 | 115.2 | F183 W188 L189 W190 | F183-Q186 PolarHBondContact O-N 3.4Å; F183-Q186 VanDerWaalsContact O-N 3.1Å; Q186-W188 PolarHBondContact O-N 3.43Å; Q186-L189 WeakPolarHBondContact O-CB 3.45Å; Q186-L189 PolarHBondContact O-N 3.45Å; Q186-L189 VanDerWaalsContact O-N 3.12Å; Q186-W190 PolarHBondContact O-N 3.12Å |
| 187 | Y | 73.4 | Confident | 71.3 | Confident | 94 Ų | 94 | 104.7 Ų | 104.7 | 37% | 0.369 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -30.8 | 173.5 | -61.1 | -66.9 | 0 | 0 | 0 | 112.9 | F183 L189 W190 W191 | F183-Y187 WeakPolarHBondContact O-CD2 3.24Å; F183-Y187 WeakPolarHBondContact O-CE2 3.48Å; Y187-L189 VanDerWaalsContact C-N 3.28Å; Y187-L189 PolarHBondContact O-N 3.21Å; Y187-W190 WeakPolarHBondContact O-CB 3.44Å; Y187-W190 PolarHBondContact O-N 3.38Å; Y187-W191 VanDerWaalsContact O-CD1 3.25Å; Y187-W191 PolarHBondContact O-N 2.87Å |
| 188 | W | 80.6 | Confident | 72.3 | Confident | 186 Ų | 186 | 105.4 Ų | 105.4 | 71% | 0.705 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.8 | -42.7 | 175.1 | -176.9 | 81.3 | 0 | 0 | 0 | 111.3 | Q186 W190 W191 V192 | Q186-W188 PolarHBondContact O-N 3.43Å; W188-W190 VanDerWaalsContact C-N 3.34Å; W188-W190 PolarHBondContact O-N 3.28Å; W188-W191 PolarHBondContact O-N 2.98Å; W188-V192 HydrophobicContact CD2-CG2 3.71Å; W188-V192 HydrophobicContact CE3-CG2 3.86Å; W188-V192 HydrophobicContact CG-CG2 4.43Å; W188-V192 HydrophobicContact CH2-CG2 3.72Å; W188-V192 HydrophobicContact CZ2-CG2 3.54Å; W188-V192 HydrophobicContact CZ3-CG2 3.87Å; W188-V192 WeakPolarHBondContact O-CB 3.13Å; W188-V192 VanDerWaalsContact O-CG2 3.26Å; W188-V192 WeakPolarHBondContact O-CG2 2.92Å; W188-V192 PolarHBondContact O-N 3.41Å |
| 189 | L | 76.4 | Confident | 73.3 | Confident | 82 Ų | 82 | 103.2 Ų | 103.2 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 178.3 | -159.7 | 91 | 0 | 0 | 0 | 111.4 | Q186 Y187 V192 F193 | Q186-L189 WeakPolarHBondContact O-CB 3.45Å; Q186-L189 PolarHBondContact O-N 3.45Å; Q186-L189 VanDerWaalsContact O-N 3.12Å; Y187-L189 VanDerWaalsContact C-N 3.28Å; Y187-L189 PolarHBondContact O-N 3.21Å; L189-V192 PolarHBondContact O-N 2.93Å; L189-F193 HydrophobicContact CD1-CE2 4.18Å; L189-F193 HydrophobicContact CD2-CD2 4.04Å; L189-F193 HydrophobicContact CD2-CE2 3.58Å; L189-F193 HydrophobicContact CG-CD2 3.77Å; L189-F193 HydrophobicContact CG-CE2 3.55Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 WeakPolarHBondContact O-CD2 3.21Å; L189-F193 PolarHBondContact O-N 2.83Å |
| 190 | W | 80.8 | Confident | 74.5 | Confident | 64 Ų | 64 | 95.9 Ų | 95.9 | 24% | 0.242 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.5 | 179.8 | 76.2 | 0 | 0 | 0 | 112 | I170 R174 Q186 Y187 W188 F193 L194 | I170-W190 VanDerWaalsContact CG2-CD1 3.42Å; I170-W190 HydrophobicContact CG2-CG 4.46Å; R174-W190 HydrophobicContact CB-CZ2 4.13Å; R174-W190 HydrophobicContact CG-CD2 4.45Å; R174-W190 HydrophobicContact CG-CH2 4.42Å; R174-W190 HydrophobicContact CG-CZ2 3.57Å; Q186-W190 PolarHBondContact O-N 3.12Å; Y187-W190 WeakPolarHBondContact O-CB 3.44Å; Y187-W190 PolarHBondContact O-N 3.38Å; W188-W190 VanDerWaalsContact C-N 3.34Å; W188-W190 PolarHBondContact O-N 3.28Å; W190-F193 PolarHBondContact O-N 3.22Å; W190-L194 HydrophobicContact CH2-CD1 3.72Å; W190-L194 HydrophobicContact CZ2-CD1 3.92Å; W190-L194 HydrophobicContact CZ3-CD1 4.14Å; W190-L194 WeakPolarHBondContact O-CB 3.08Å; W190-L194 PolarHBondContact O-N 3.42Å |
| 191 | W | 84.4 | Confident | 75.5 | Confident | 150 Ų | 150 | 92.4 Ų | 92.4 | 57% | 0.568 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 173.8 | -83.3 | 108.6 | 0 | 0 | 0 | 112.1 | Y187 W188 L194 V195 | Y187-W191 VanDerWaalsContact O-CD1 3.25Å; Y187-W191 PolarHBondContact O-N 2.87Å; W188-W191 PolarHBondContact O-N 2.98Å; W191-L194 HydrophobicContact CE3-CD1 4.43Å; W191-L194 HydrophobicContact CZ3-CD1 4.43Å; W191-L194 PolarHBondContact O-N 2.87Å; W191-V195 VanDerWaalsContact O-CB 3.31Å; W191-V195 WeakPolarHBondContact O-CB 3.27Å; W191-V195 WeakPolarHBondContact O-CG2 3.41Å; W191-V195 PolarHBondContact O-N 3.05Å |
| 192 | V | 86.5 | Confident | 76.7 | Confident | 52 Ų | 52 | 93.6 Ų | 93.6 | 32% | 0.315 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.5 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | W188 L189 V195 L196 | W188-V192 HydrophobicContact CD2-CG2 3.71Å; W188-V192 HydrophobicContact CE3-CG2 3.86Å; W188-V192 HydrophobicContact CG-CG2 4.43Å; W188-V192 HydrophobicContact CH2-CG2 3.72Å; W188-V192 HydrophobicContact CZ2-CG2 3.54Å; W188-V192 HydrophobicContact CZ3-CG2 3.87Å; W188-V192 WeakPolarHBondContact O-CB 3.13Å; W188-V192 VanDerWaalsContact O-CG2 3.26Å; W188-V192 WeakPolarHBondContact O-CG2 2.92Å; W188-V192 PolarHBondContact O-N 3.41Å; L189-V192 PolarHBondContact O-N 2.93Å; V192-V195 PolarHBondContact O-N 3.33Å; V192-L196 WeakPolarHBondContact O-CB 3.37Å; V192-L196 PolarHBondContact O-N 2.84Å |
| 193 | F | 83.1 | Confident | 77.7 | Confident | 87 Ų | 87 | 89.9 Ų | 89.9 | 38% | 0.382 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 178.6 | -82.5 | -60.4 | 0 | 0 | 0 | 113 | I170 L189 W190 L196 G197 | I170-F193 HydrophobicContact CD1-CB 3.6Å; I170-F193 WeakPolarHBondContact CD1-O 3.44Å; I170-F193 HydrophobicContact CG1-CB 4.26Å; L189-F193 HydrophobicContact CD1-CE2 4.18Å; L189-F193 HydrophobicContact CD2-CD2 4.04Å; L189-F193 HydrophobicContact CD2-CE2 3.58Å; L189-F193 HydrophobicContact CG-CD2 3.77Å; L189-F193 HydrophobicContact CG-CE2 3.55Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 WeakPolarHBondContact O-CD2 3.21Å; L189-F193 PolarHBondContact O-N 2.83Å; W190-F193 PolarHBondContact O-N 3.22Å; F193-L196 HydrophobicContact CD1-CD2 4.46Å; F193-G197 PolarHBondContact O-N 3.24Å |
| 194 | L | 86.4 | Confident | 78.8 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.4 | -52.1 | 172.6 | -166.4 | -180 | 0 | 0 | 0 | 110.2 | W190 W191 L196 G197 F198 | W190-L194 HydrophobicContact CH2-CD1 3.72Å; W190-L194 HydrophobicContact CZ2-CD1 3.92Å; W190-L194 HydrophobicContact CZ3-CD1 4.14Å; W190-L194 WeakPolarHBondContact O-CB 3.08Å; W190-L194 PolarHBondContact O-N 3.42Å; W191-L194 HydrophobicContact CE3-CD1 4.43Å; W191-L194 HydrophobicContact CZ3-CD1 4.43Å; W191-L194 PolarHBondContact O-N 2.87Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 2.76Å; L194-G197 PolarHBondContact O-N 3.44Å; L194-F198 WeakPolarHBondContact O-CB 3.28Å; L194-F198 PolarHBondContact O-N 3.36Å |
| 195 | V | 87.4 | Confident | 79.4 | Confident | 70 Ų | 70 | 81 Ų | 81 | 42% | 0.424 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 179 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | W191 V192 F198 L199 | W191-V195 VanDerWaalsContact O-CB 3.31Å; W191-V195 WeakPolarHBondContact O-CB 3.27Å; W191-V195 WeakPolarHBondContact O-CG2 3.41Å; W191-V195 PolarHBondContact O-N 3.05Å; V192-V195 PolarHBondContact O-N 3.33Å; V195-F198 CarbonylContact O-C 3.59Å; V195-F198 PolarHBondContact O-N 3.35Å; V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 HydrophobicContact CG1-CG 4.09Å; V195-L199 WeakPolarHBondContact O-CB 3.32Å; V195-L199 WeakPolarHBondContact O-CG 3.47Å; V195-L199 PolarHBondContact O-N 3.28Å |
| 196 | L | 85.4 | Confident | 80.1 | Confident | 81 Ų | 81 | 82.7 Ų | 82.7 | 42% | 0.424 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 177.1 | -174.4 | 68.9 | 0 | 0 | 0 | 111.8 | V192 F193 L194 F198 L199 L200 | V192-L196 WeakPolarHBondContact O-CB 3.37Å; V192-L196 PolarHBondContact O-N 2.84Å; F193-L196 HydrophobicContact CD1-CD2 4.46Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 2.76Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 PolarHBondContact O-N 2.81Å; L196-L199 PolarHBondContact O-N 2.99Å; L196-L200 HydrophobicContact CG-CD1 4.39Å; L196-L200 WeakPolarHBondContact O-CB 3.25Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.25Å; L196-L200 PolarHBondContact O-N 3.23Å |
| 197 | G | 85.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I167 F193 L194 F201 | I167-G197 WeakPolarHBondContact CD1-O 3.15Å; F193-G197 PolarHBondContact O-N 3.24Å; L194-G197 PolarHBondContact O-N 3.44Å; G197-F201 PolarHBondContact O-N 2.9Å |
| 198 | F | 84.9 | Confident | 80.3 | Confident | 100 Ų | 100 | 75.8 Ų | 75.8 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71 | -41.3 | 176 | -162.9 | -101.8 | 0 | 0 | 0 | 111.6 | I167 L194 V195 L196 L200 F201 F202 | I167-F198 HydrophobicContact CD1-CB 4.41Å; L194-F198 WeakPolarHBondContact O-CB 3.28Å; L194-F198 PolarHBondContact O-N 3.36Å; V195-F198 CarbonylContact O-C 3.59Å; V195-F198 PolarHBondContact O-N 3.35Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 PolarHBondContact O-N 2.81Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.39Å; F198-F201 WeakPolarHBondContact O-CB 3.49Å; F198-F201 PolarHBondContact O-N 3.42Å; F198-F202 AromaticContact CD1-CD2 3.45Å; F198-F202 HydrophobicContact CD1-CD2 3.45Å; F198-F202 VanDerWaalsContact CD1-CD2 3.45Å; F198-F202 AromaticContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CG 4.35Å; F198-F202 HydrophobicContact CD1-CZ 4.37Å; F198-F202 HydrophobicContact CD2-CD2 4.24Å; F198-F202 AromaticContact CD2-CE2 3.91Å; F198-F202 HydrophobicContact CD2-CE2 3.91Å; F198-F202 AromaticContact CE1-CD2 3.39Å; F198-F202 HydrophobicContact CE1-CD2 3.39Å; F198-F202 HydrophobicContact CE1-CE1 4.31Å; F198-F202 AromaticContact CE1-CE2 2.96Å; F198-F202 HydrophobicContact CE1-CE2 2.96Å; F198-F202 HydrophobicContact CE1-CG 4.26Å; F198-F202 AromaticContact CE1-CZ 3.46Å; F198-F202 HydrophobicContact CE1-CZ 3.46Å; F198-F202 VanDerWaalsContact CE1-CZ 3.46Å; F198-F202 HydrophobicContact CE2-CD2 4.19Å; F198-F202 AromaticContact CE2-CE2 3.41Å; F198-F202 HydrophobicContact CE2-CE2 3.41Å; F198-F202 VanDerWaalsContact CE2-CE2 3.41Å; F198-F202 HydrophobicContact CE2-CZ 4.21Å; F198-F202 AromaticContact CG-CD2 3.93Å; F198-F202 HydrophobicContact CG-CD2 3.93Å; F198-F202 AromaticContact CG-CE2 3.98Å; F198-F202 HydrophobicContact CG-CE2 3.98Å; F198-F202 AromaticContact CZ-CD2 3.81Å; F198-F202 HydrophobicContact CZ-CD2 3.81Å; F198-F202 AromaticContact CZ-CE2 2.93Å; F198-F202 HydrophobicContact CZ-CE2 2.93Å; F198-F202 AromaticContact CZ-CZ 3.38Å; F198-F202 HydrophobicContact CZ-CZ 3.38Å; F198-F202 WeakPolarHBondContact O-CB 3.44Å; F198-F202 VanDerWaalsContact O-CD2 3.24Å; F198-F202 WeakPolarHBondContact O-CD2 3.29Å; F198-F202 PolarHBondContact O-N 2.94Å |
| 199 | L | 83.2 | Confident | 79.6 | Confident | 103 Ų | 103 | 68.6 Ų | 68.6 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 174.8 | -74.6 | 172.9 | 0 | 0 | 0 | 111.6 | V195 L196 F202 R203 | V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 HydrophobicContact CG1-CG 4.09Å; V195-L199 WeakPolarHBondContact O-CB 3.32Å; V195-L199 WeakPolarHBondContact O-CG 3.47Å; V195-L199 PolarHBondContact O-N 3.28Å; L196-L199 PolarHBondContact O-N 2.99Å; L199-F202 PolarHBondContact O-N 3.36Å; L199-R203 WeakPolarHBondContact O-CB 3.35Å; L199-R203 PolarHBondContact O-N 2.84Å |
| 200 | L | 77.6 | Confident | 79 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -40 | 173.9 | -73.7 | 169.2 | 0 | 0 | 0 | 111.8 | I159 L196 F198 G204 | I159-L200 HydrophobicContact CG2-CD2 4.39Å; L196-L200 HydrophobicContact CG-CD1 4.39Å; L196-L200 WeakPolarHBondContact O-CB 3.25Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.25Å; L196-L200 PolarHBondContact O-N 3.23Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.39Å; L200-G204 PolarHBondContact O-N 3.38Å |
| 201 | F | 80.1 | Confident | 78 | Confident | 45 Ų | 45 | 74 Ų | 74 | 20% | 0.197 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -49.3 | 172.8 | 172.2 | -116.8 | 0 | 0 | 0 | 111.9 | F131 L164 G197 F198 R203 G204 F205 | F131-F201 HydrophobicContact CE1-CE2 4.48Å; F131-F201 AromaticContact CE2-CD2 3.61Å; F131-F201 HydrophobicContact CE2-CD2 3.61Å; F131-F201 AromaticContact CE2-CE2 3.58Å; F131-F201 HydrophobicContact CE2-CE2 3.58Å; F131-F201 AromaticContact CZ-CD2 3.86Å; F131-F201 HydrophobicContact CZ-CD2 3.86Å; F131-F201 AromaticContact CZ-CE2 3.36Å; F131-F201 HydrophobicContact CZ-CE2 3.36Å; F131-F201 HydrophobicContact CZ-CZ 4.41Å; L164-F201 HydrophobicContact CD1-CD2 4.02Å; L164-F201 HydrophobicContact CD1-CE2 4.12Å; L164-F201 HydrophobicContact CD2-CB 3.95Å; L164-F201 HydrophobicContact CD2-CD1 4.21Å; L164-F201 HydrophobicContact CD2-CD2 3.85Å; L164-F201 HydrophobicContact CD2-CE2 4.46Å; L164-F201 HydrophobicContact CD2-CG 3.71Å; L164-F201 HydrophobicContact CG-CB 4.37Å; L164-F201 HydrophobicContact CG-CD2 3.81Å; L164-F201 HydrophobicContact CG-CE2 4.4Å; L164-F201 HydrophobicContact CG-CG 4.15Å; G197-F201 PolarHBondContact O-N 2.9Å; F198-F201 WeakPolarHBondContact O-CB 3.49Å; F198-F201 PolarHBondContact O-N 3.42Å; F201-R203 VanDerWaalsContact C-N 3.34Å; F201-R203 PolarHBondContact O-N 3.27Å; F201-G204 PolarHBondContact O-N 3.08Å; F201-F205 WeakPolarHBondContact O-CB 3.21Å; F201-F205 PolarHBondContact O-N 3.37Å |
| 202 | F | 80.4 | Confident | 77 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 179.9 | -89.5 | -102.3 | 0 | 0 | 0 | 112.3 | F198 L199 G204 F205 I206 | F198-F202 AromaticContact CD1-CD2 3.45Å; F198-F202 HydrophobicContact CD1-CD2 3.45Å; F198-F202 VanDerWaalsContact CD1-CD2 3.45Å; F198-F202 AromaticContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CG 4.35Å; F198-F202 HydrophobicContact CD1-CZ 4.37Å; F198-F202 HydrophobicContact CD2-CD2 4.24Å; F198-F202 AromaticContact CD2-CE2 3.91Å; F198-F202 HydrophobicContact CD2-CE2 3.91Å; F198-F202 AromaticContact CE1-CD2 3.39Å; F198-F202 HydrophobicContact CE1-CD2 3.39Å; F198-F202 HydrophobicContact CE1-CE1 4.31Å; F198-F202 AromaticContact CE1-CE2 2.96Å; F198-F202 HydrophobicContact CE1-CE2 2.96Å; F198-F202 HydrophobicContact CE1-CG 4.26Å; F198-F202 AromaticContact CE1-CZ 3.46Å; F198-F202 HydrophobicContact CE1-CZ 3.46Å; F198-F202 VanDerWaalsContact CE1-CZ 3.46Å; F198-F202 HydrophobicContact CE2-CD2 4.19Å; F198-F202 AromaticContact CE2-CE2 3.41Å; F198-F202 HydrophobicContact CE2-CE2 3.41Å; F198-F202 VanDerWaalsContact CE2-CE2 3.41Å; F198-F202 HydrophobicContact CE2-CZ 4.21Å; F198-F202 AromaticContact CG-CD2 3.93Å; F198-F202 HydrophobicContact CG-CD2 3.93Å; F198-F202 AromaticContact CG-CE2 3.98Å; F198-F202 HydrophobicContact CG-CE2 3.98Å; F198-F202 AromaticContact CZ-CD2 3.81Å; F198-F202 HydrophobicContact CZ-CD2 3.81Å; F198-F202 AromaticContact CZ-CE2 2.93Å; F198-F202 HydrophobicContact CZ-CE2 2.93Å; F198-F202 AromaticContact CZ-CZ 3.38Å; F198-F202 HydrophobicContact CZ-CZ 3.38Å; F198-F202 WeakPolarHBondContact O-CB 3.44Å; F198-F202 VanDerWaalsContact O-CD2 3.24Å; F198-F202 WeakPolarHBondContact O-CD2 3.29Å; F198-F202 PolarHBondContact O-N 2.94Å; L199-F202 PolarHBondContact O-N 3.36Å; F202-G204 VanDerWaalsContact C-N 3.34Å; F202-G204 PolarHBondContact O-N 3.09Å; F202-F205 CarbonylContact O-C 3.59Å; F202-F205 PolarHBondContact O-N 2.85Å; F202-I206 HydrophobicContact CB-CD1 4.35Å; F202-I206 VanDerWaalsContact O-CB 3.24Å; F202-I206 WeakPolarHBondContact O-CB 3.43Å; F202-I206 WeakPolarHBondContact O-CD1 3.27Å; F202-I206 WeakPolarHBondContact O-CG1 3.27Å; F202-I206 PolarHBondContact O-N 2.95Å |
| 203 | R | 77.5 | Confident | 75.6 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 50% | 0.498 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 175.1 | -177 | 178 | 171.5 | 90 | 6.9 | 111.3 | I98 L199 F201 N207 | I98-R203 VanDerWaalsContact CG1-NH2 3.29Å; L199-R203 WeakPolarHBondContact O-CB 3.35Å; L199-R203 PolarHBondContact O-N 2.84Å; F201-R203 VanDerWaalsContact C-N 3.34Å; F201-R203 PolarHBondContact O-N 3.27Å; R203-N207 WeakPolarHBondContact O-CB 3.48Å; R203-N207 PolarHBondContact O-N 3.1Å; R203-N207 VanDerWaalsContact O-N 3.15Å |
| 204 | G | 74.3 | Confident | 74.3 | Confident | 7 Ų | 7 | 78.5 Ų | 78.5 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F127 L200 F201 F202 N207 Y208 | F127-G204 WeakPolarHBondContact CZ-O 3.48Å; L200-G204 PolarHBondContact O-N 3.38Å; F201-G204 PolarHBondContact O-N 3.08Å; F202-G204 VanDerWaalsContact C-N 3.34Å; F202-G204 PolarHBondContact O-N 3.09Å; G204-N207 PolarHBondContact O-N 2.84Å; G204-Y208 PolarHBondContact O-N 3.33Å |
| 205 | F | 73.3 | Confident | 72.9 | Confident | 97 Ų | 97 | 78.4 Ų | 78.4 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | -179.9 | -174.3 | -96.9 | 0 | 0 | 0 | 113.1 | F201 F202 Y208 A209 | F201-F205 WeakPolarHBondContact O-CB 3.21Å; F201-F205 PolarHBondContact O-N 3.37Å; F202-F205 CarbonylContact O-C 3.59Å; F202-F205 PolarHBondContact O-N 2.85Å; F205-Y208 WeakPolarHBondContact O-CB 3.16Å; F205-Y208 PolarHBondContact O-N 2.94Å; F205-A209 HydrophobicContact CE1-CB 4.48Å; F205-A209 VanDerWaalsContact O-CB 3.24Å; F205-A209 WeakPolarHBondContact O-CB 3.18Å; F205-A209 PolarHBondContact O-N 2.75Å |
| 206 | I | 76.1 | Confident | 71.5 | Confident | 104 Ų | 104 | 79.4 Ų | 79.4 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 176 | -69.9 | 162.1 | 0 | 0 | 0 | 109.7 | F202 Y208 A209 R210 | F202-I206 HydrophobicContact CB-CD1 4.35Å; F202-I206 VanDerWaalsContact O-CB 3.24Å; F202-I206 WeakPolarHBondContact O-CB 3.43Å; F202-I206 WeakPolarHBondContact O-CD1 3.27Å; F202-I206 WeakPolarHBondContact O-CG1 3.27Å; F202-I206 PolarHBondContact O-N 2.95Å; I206-Y208 VanDerWaalsContact C-N 3.34Å; I206-A209 PolarHBondContact O-N 3.5Å; I206-R210 VanDerWaalsContact O-CB 3.25Å; I206-R210 WeakPolarHBondContact O-CB 3.15Å; I206-R210 PolarHBondContact O-N 3.35Å |
| 207 | N | 74.2 | Confident | 70.1 | Confident | 50 Ų | 50 | 79.9 Ų | 79.9 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 174.8 | -159.6 | 19.7 | 0 | 0 | 0 | 110.6 | R203 G204 R210 I211 | R203-N207 WeakPolarHBondContact O-CB 3.48Å; R203-N207 PolarHBondContact O-N 3.1Å; R203-N207 VanDerWaalsContact O-N 3.15Å; G204-N207 PolarHBondContact O-N 2.84Å; N207-R210 WeakPolarHBondContact O-CB 3.31Å; N207-R210 PolarHBondContact O-N 3.37Å; N207-I211 VanDerWaalsContact O-CD1 3.22Å; N207-I211 WeakPolarHBondContact O-CD1 3.4Å; N207-I211 VanDerWaalsContact O-CG1 3.29Å; N207-I211 WeakPolarHBondContact O-CG1 3.36Å; N207-I211 PolarHBondContact O-N 3.11Å |
| 208 | Y | 69.1 | Low | 68.5 | Low | 19 Ų | 19 | 87.3 Ų | 87.3 | 8% | 0.075 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 172.8 | 174.3 | -103 | 0 | 0 | 0 | 113.4 | D124 F127 M128 G204 F205 I206 R210 I211 R212 | D124-Y208 HydrophobicContact CB-CE2 3.92Å; D124-Y208 WeakPolarHBondContact OD1-CE2 3.13Å; D124-Y208 PolarHBondContact OD1-OH 3.09Å; F127-Y208 AromaticContact CD1-CD2 3.52Å; F127-Y208 HydrophobicContact CD1-CD2 3.52Å; F127-Y208 HydrophobicContact CD1-CE2 4.22Å; F127-Y208 AromaticContact CD1-CG 3.92Å; F127-Y208 HydrophobicContact CD1-CG 3.92Å; F127-Y208 HydrophobicContact CE1-CD1 4.47Å; F127-Y208 AromaticContact CE1-CD2 3.79Å; F127-Y208 HydrophobicContact CE1-CD2 3.79Å; F127-Y208 AromaticContact CE1-CG 3.66Å; F127-Y208 HydrophobicContact CE1-CG 3.66Å; F127-Y208 HydrophobicContact CG-CD2 4.23Å; F127-Y208 HydrophobicContact CZ-CG 4.39Å; M128-Y208 HydrophobicContact CE-CD1 4.05Å; M128-Y208 HydrophobicContact CE-CE1 3.51Å; M128-Y208 HydrophobicContact CE-CE2 4.1Å; G204-Y208 PolarHBondContact O-N 3.33Å; F205-Y208 WeakPolarHBondContact O-CB 3.16Å; F205-Y208 PolarHBondContact O-N 2.94Å; I206-Y208 VanDerWaalsContact C-N 3.34Å; Y208-R210 VanDerWaalsContact C-N 3.28Å; Y208-R210 PolarHBondContact O-N 2.81Å; Y208-I211 PolarHBondContact O-N 3.25Å; Y208-R212 PolarHBondContact O-N 2.85Å |
| 209 | A | 65.3 | Low | 66.9 | Low | 34 Ų | 34 | 86.7 Ų | 86.7 | 28% | 0.281 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.9 | -31 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F205 I206 K213 | F205-A209 HydrophobicContact CE1-CB 4.48Å; F205-A209 VanDerWaalsContact O-CB 3.24Å; F205-A209 WeakPolarHBondContact O-CB 3.18Å; F205-A209 PolarHBondContact O-N 2.75Å; I206-A209 PolarHBondContact O-N 3.5Å; A209-K213 WeakPolarHBondContact O-CB 3.11Å; A209-K213 PolarHBondContact O-N 3.42Å |
| 210 | R | 63.7 | Low | 65.4 | Low | 161 Ų | 161 | 87 Ų | 87 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | 174.4 | -167.4 | -170.1 | -162.1 | -161.5 | 6.5 | 110.5 | I206 N207 Y208 K213 M214 | I206-R210 VanDerWaalsContact O-CB 3.25Å; I206-R210 WeakPolarHBondContact O-CB 3.15Å; I206-R210 PolarHBondContact O-N 3.35Å; N207-R210 WeakPolarHBondContact O-CB 3.31Å; N207-R210 PolarHBondContact O-N 3.37Å; Y208-R210 VanDerWaalsContact C-N 3.28Å; Y208-R210 PolarHBondContact O-N 2.81Å; R210-K213 PolarHBondContact O-N 2.86Å; R210-M214 HydrophobicContact CG-CE 3.75Å; R210-M214 HydrophobicContact CG-SD 4.44Å; R210-M214 VanDerWaalsContact O-CG 3.27Å; R210-M214 WeakPolarHBondContact O-CG 3.46Å; R210-M214 PolarHBondContact O-N 3.29Å |
| 211 | I | 59.9 | Low | 63.9 | Low | 100 Ų | 100 | 91.2 Ų | 91.2 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 178.1 | -64.3 | 155.7 | 0 | 0 | 0 | 110.4 | N207 Y208 M214 A215 | N207-I211 VanDerWaalsContact O-CD1 3.22Å; N207-I211 WeakPolarHBondContact O-CD1 3.4Å; N207-I211 VanDerWaalsContact O-CG1 3.29Å; N207-I211 WeakPolarHBondContact O-CG1 3.36Å; N207-I211 PolarHBondContact O-N 3.11Å; Y208-I211 PolarHBondContact O-N 3.25Å; I211-M214 PolarHBondContact O-N 3.01Å; I211-A215 WeakPolarHBondContact O-CB 3.3Å; I211-A215 PolarHBondContact O-N 3.17Å |
| 212 | R | 62.5 | Low | 62.4 | Low | 133 Ų | 133 | 93.1 Ų | 93.1 | 50% | 0.502 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 176.6 | -167.8 | 170.5 | -179 | 175.6 | 0.5 | 113.2 | Y208 M214 A215 D216 | Y208-R212 PolarHBondContact O-N 2.85Å; R212-M214 PolarHBondContact O-N 3.47Å; R212-A215 PolarHBondContact O-N 3.38Å; R212-D216 PolarHBondContact O-N 3.29Å |
| 213 | K | 58.9 | Low | 60.9 | Low | 159 Ų | 159 | 100.9 Ų | 100.9 | 69% | 0.691 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.9 | -37.2 | 173 | -95.4 | -172.8 | 172.4 | -177.4 | 0 | 112 | A209 R210 T217 | A209-K213 WeakPolarHBondContact O-CB 3.11Å; A209-K213 PolarHBondContact O-N 3.42Å; R210-K213 PolarHBondContact O-N 2.86Å; K213-T217 PolarHBondContact O-N 3.44Å; K213-T217 VanDerWaalsContact O-N 3.11Å; K213-T217 PolarHBondContact O-OG1 3.37Å |
| 214 | M | 55.8 | Low | 59.7 | Low | 90 Ų | 90 | 99.4 Ų | 99.4 | 44% | 0.443 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 175.9 | -69 | 172.5 | -179.2 | 0 | 0 | 111.3 | R210 I211 R212 D216 T217 F218 | R210-M214 HydrophobicContact CG-CE 3.75Å; R210-M214 HydrophobicContact CG-SD 4.44Å; R210-M214 VanDerWaalsContact O-CG 3.27Å; R210-M214 WeakPolarHBondContact O-CG 3.46Å; R210-M214 PolarHBondContact O-N 3.29Å; I211-M214 PolarHBondContact O-N 3.01Å; R212-M214 PolarHBondContact O-N 3.47Å; M214-D216 VanDerWaalsContact C-N 3.35Å; M214-D216 PolarHBondContact O-N 3.09Å; M214-T217 WeakPolarHBondContact O-CA 3.32Å; M214-T217 WeakPolarHBondContact O-CB 3.25Å; M214-T217 PolarHBondContact O-N 3.44Å; M214-T217 VanDerWaalsContact O-N 3.07Å; M214-F218 HydrophobicContact CB-CE2 4.46Å; M214-F218 WeakPolarHBondContact O-CD2 3.48Å; M214-F218 PolarHBondContact O-N 3.48Å |
| 215 | A | 56.4 | Low | 58.7 | Low | 41 Ų | 41 | 110 Ų | 110 | 34% | 0.339 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | I211 R212 T217 F218 S219 | I211-A215 WeakPolarHBondContact O-CB 3.3Å; I211-A215 PolarHBondContact O-N 3.17Å; R212-A215 PolarHBondContact O-N 3.38Å; A215-T217 VanDerWaalsContact C-N 3.34Å; A215-F218 PolarHBondContact O-N 2.9Å; A215-S219 WeakPolarHBondContact O-CB 3.41Å; A215-S219 PolarHBondContact O-N 3.19Å; A215-S219 PolarHBondContact O-OG 3.34Å |
| 216 | D | 56.9 | Low | 57.9 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -37.5 | 172.7 | -70 | -28.9 | 0 | 0 | 0 | 111.2 | R212 M214 S219 T220 | R212-D216 PolarHBondContact O-N 3.29Å; M214-D216 VanDerWaalsContact C-N 3.35Å; M214-D216 PolarHBondContact O-N 3.09Å; D216-S219 VanDerWaalsContact CA-OG 3.3Å; D216-S219 WeakPolarHBondContact CA-OG 3.49Å; D216-S219 PolarHBondContact O-N 2.91Å; D216-S219 PolarHBondContact O-OG 2.85Å; D216-T220 WeakPolarHBondContact O-CG2 3.03Å; D216-T220 PolarHBondContact O-N 2.87Å; D216-T220 VanDerWaalsContact O-N 3.16Å |
| 217 | T | 57.5 | Low | 56.9 | Low | 91 Ų | 91 | 114.3 Ų | 114.3 | 56% | 0.558 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.1 | -41.3 | 176.4 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | K213 M214 A215 T220 | K213-T217 PolarHBondContact O-N 3.44Å; K213-T217 VanDerWaalsContact O-N 3.11Å; K213-T217 PolarHBondContact O-OG1 3.37Å; M214-T217 WeakPolarHBondContact O-CA 3.32Å; M214-T217 WeakPolarHBondContact O-CB 3.25Å; M214-T217 PolarHBondContact O-N 3.44Å; M214-T217 VanDerWaalsContact O-N 3.07Å; A215-T217 VanDerWaalsContact C-N 3.34Å; T217-T220 PolarHBondContact O-N 3.3Å; T217-T220 PolarHBondContact O-OG1 3.17Å |
| 218 | F | 52 | Low | 55.8 | Low | 157 Ų | 157 | 121.1 Ų | 121.1 | 69% | 0.689 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.9 | -31.5 | 177 | -73.9 | -69 | 0 | 0 | 0 | 113.6 | M214 A215 T220 L221 | M214-F218 HydrophobicContact CB-CE2 4.46Å; M214-F218 WeakPolarHBondContact O-CD2 3.48Å; M214-F218 PolarHBondContact O-N 3.48Å; A215-F218 PolarHBondContact O-N 2.9Å; F218-T220 VanDerWaalsContact C-N 3.33Å; F218-L221 WeakPolarHBondContact O-CB 3.28Å; F218-L221 PolarHBondContact O-N 3.36Å |
| 219 | S | 50.2 | Low | 55.5 | Low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.9 | -20.4 | 176.1 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | A215 D216 L221 | A215-S219 WeakPolarHBondContact O-CB 3.41Å; A215-S219 PolarHBondContact O-N 3.19Å; A215-S219 PolarHBondContact O-OG 3.34Å; D216-S219 VanDerWaalsContact CA-OG 3.3Å; D216-S219 WeakPolarHBondContact CA-OG 3.49Å; D216-S219 PolarHBondContact O-N 2.91Å; D216-S219 PolarHBondContact O-OG 2.85Å; S219-L221 VanDerWaalsContact C-N 3.29Å |
| 220 | T | 51.9 | Low | 54.5 | Low | 109 Ų | 109 | 141.2 Ų | 141.2 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -8.2 | 168.5 | 63.8 | 0 | 0 | 0 | 0 | 114 | D216 T217 F218 P222 | D216-T220 WeakPolarHBondContact O-CG2 3.03Å; D216-T220 PolarHBondContact O-N 2.87Å; D216-T220 VanDerWaalsContact O-N 3.16Å; T217-T220 PolarHBondContact O-N 3.3Å; T217-T220 PolarHBondContact O-OG1 3.17Å; F218-T220 VanDerWaalsContact C-N 3.33Å; T220-P222 WeakPolarHBondContact O-CD 3.41Å |
| 221 | L | 46.7 | Very low | 54.1 | Low | 133 Ų | 133 | 140.3 Ų | 140.3 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -71.5 | 114.8 | 169.5 | -137.9 | 83.3 | 0 | 0 | 0 | 107.6 | F218 S219 R223 | F218-L221 WeakPolarHBondContact O-CB 3.28Å; F218-L221 PolarHBondContact O-N 3.36Å; S219-L221 VanDerWaalsContact C-N 3.29Å; L221-R223 PolarHBondContact O-N 3.47Å |
| 222 | P | 48.4 | Very low | 53.8 | Low | 86 Ų | 86 | 142.4 Ų | 142.4 | 56% | 0.558 | 69% | 0.693 | S | S | * | * | trans | -64.7 | 128.5 | -163.4 | 25.9 | -34.2 | 0 | 0 | 0 | 109.8 | T220 T224 | T220-P222 WeakPolarHBondContact O-CD 3.41Å; P222-T224 HydrophobicContact CB-CG2 3.68Å; P222-T224 WeakPolarHBondContact CB-OG1 3.43Å; P222-T224 HydrophobicContact CG-CG2 4.5Å; P222-T224 WeakPolarHBondContact CG-OG1 3.42Å; P222-T224 PolarHBondContact O-N 3.33Å; P222-T224 PolarHBondContact O-OG1 3.37Å | ||
| 223 | R | 49.2 | Very low | 53.3 | Low | 239 Ų | 239 | 142.9 Ų | 142.9 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -58.8 | 56.1 | 157.2 | -165.4 | -178 | -148.4 | 147.6 | 5.8 | 110 | L221 | L221-R223 PolarHBondContact O-N 3.47Š|
| 224 | T | 51.2 | Low | 52.9 | Low | 101 Ų | 101 | 141.9 Ų | 141.9 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | trans | -119.7 | 24.7 | -178.3 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | P222 | P222-T224 HydrophobicContact CB-CG2 3.68Å; P222-T224 WeakPolarHBondContact CB-OG1 3.43Å; P222-T224 HydrophobicContact CG-CG2 4.5Å; P222-T224 WeakPolarHBondContact CG-OG1 3.42Å; P222-T224 PolarHBondContact O-N 3.33Å; P222-T224 PolarHBondContact O-OG1 3.37Å | ||
| 225 | R | 54.5 | Low | 52.8 | Low | 230 Ų | 230 | 145.2 Ų | 145.2 | 87% | 0.868 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -128.1 | 32.1 | 178 | -67.4 | -81.1 | -178.1 | -173.8 | -3.2 | 112.8 | ||
| 226 | V | 54.7 | Low | 52.5 | Low | 128 Ų | 128 | 152.1 Ų | 152.1 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -130.7 | 9.3 | 167.8 | -78 | 0 | 0 | 0 | 0 | 114.1 | ||
| 227 | L | 56.6 | Low | 52.2 | Low | 164 Ų | 164 | 156.6 Ų | 156.6 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -109.1 | 12.2 | 172.7 | -105 | 168.7 | 0 | 0 | 0 | 114 | ||
| 228 | F | 51.1 | Low | 51.8 | Low | 192 Ų | 192 | 161.6 Ų | 161.6 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -142.8 | 87.2 | 174.5 | -95.1 | -87.5 | 0 | 0 | 0 | 108.5 | ||
| 229 | I | 61.8 | Low | 51.8 | Low | 170 Ų | 170 | 162 Ų | 162 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -176 | 115.9 | 133 | -83.7 | 145.1 | 0 | 0 | 0 | 106.5 | ||||
| 230 | Y | 45.3 | Very low | 51.9 | Low | 306 Ų | 306 | 168.9 Ų | 168.9 | 100% | 1.2 | 81% | 0.806 | S | S | * | * | trans | 76.8 | 0 | 165.5 | -121.6 | -97.4 | 0 | 0 | 0 | 119.3 |
Retrieved 230 of 230 residues in 49.2 ms
(Link to these results)