| 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 | 36.5 | Very low | 37.4 | Very low | 235 Ų | 235 | 172.9 Ų | 172.9 | 100% | 1.158 | 88% | 0.879 | S | S | * | * | 0 | 126.4 | 0 | -73.3 | -139.7 | -121.9 | 0 | 0 | 108.1 | |||||
| 2 | S | 41.1 | Very low | 37.2 | Very low | 114 Ų | 114 | 166.3 Ų | 166.3 | 80% | 0.797 | 87% | 0.87 | S | S | * | * | trans | 70.6 | 109.5 | 147.7 | -36.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 3 | E | 39.8 | Very low | 36.8 | Very low | 182 Ų | 182 | 167.7 Ų | 167.7 | 85% | 0.85 | 87% | 0.87 | S | S | * | * | trans | -51.2 | 164.5 | 142 | -83.1 | -169.9 | 128.8 | 0 | 0 | 111.8 | ||||
| 4 | P | 43.4 | Very low | 36.5 | Very low | 116 Ų | 116 | 170.2 Ų | 170.2 | 75% | 0.753 | 87% | 0.871 | S | S | * | * | cis | -146.5 | 163 | 37 | 37.5 | -15.5 | 0 | 0 | 0 | 118.2 | ||||
| 5 | L | 38.9 | Very low | 36.1 | Very low | 178 Ų | 178 | 172.1 Ų | 172.1 | 93% | 0.932 | 87% | 0.87 | S | S | * | * | trans | -115.8 | 128.3 | 161.5 | -87.3 | 158.2 | 0 | 0 | 0 | 109.4 | ||||
| 6 | K | 36.3 | Very low | 35.7 | Very low | 191 Ų | 191 | 171 Ų | 171 | 83% | 0.83 | 87% | 0.865 | S | S | * | * | trans | -126.8 | 113.1 | -177.7 | -160.3 | 178.4 | -164.5 | 176.9 | 0 | 105.8 | ||||
| 7 | D | 38.6 | Very low | 35.3 | Very low | 162 Ų | 162 | 172.7 Ų | 172.7 | 87% | 0.866 | 87% | 0.866 | S | S | * | * | trans | -144 | 132.8 | 163.5 | -116.9 | -43.9 | 0 | 0 | 0 | 112 | ||||
| 8 | K | 36.5 | Very low | 35 | Very low | 190 Ų | 190 | 171.8 Ų | 171.8 | 83% | 0.826 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -92 | 149.5 | -175.6 | -72.3 | 174.4 | 171.5 | 177.8 | 0 | 109.9 | ||
| 9 | P | 35.9 | Very low | 34.7 | Very low | 127 Ų | 127 | 172.2 Ų | 172.2 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -101 | 140.2 | 152.7 | 7.7 | 11.7 | 0 | 0 | 0 | 112.1 | ||
| 10 | Q | 31.9 | Very low | 34.4 | Very low | 200 Ų | 200 | 169.5 Ų | 169.5 | 94% | 0.935 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -66 | 138.6 | 178.6 | -68.8 | 163.7 | -13.8 | 0 | 0 | 112.2 | ||
| 11 | K | 32.6 | Very low | 34.1 | Very low | 207 Ų | 207 | 171 Ų | 171 | 90% | 0.9 | 86% | 0.86 | S | S | * | * | trans | -92.7 | 112.7 | 173.5 | -166.9 | 176.4 | -176.9 | -179.3 | 0 | 109 | ||||
| 12 | A | 34.7 | Very low | 33.5 | Very low | 93 Ų | 93 | 162.9 Ų | 162.9 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | -77.5 | 124.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 13 | E | 31.6 | Very low | 33 | Very low | 185 Ų | 185 | 163.6 Ų | 163.6 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | trans | -78.2 | 124.3 | 172.2 | -70.1 | 175.9 | 103.5 | 0 | 0 | 110.6 | ||||
| 14 | K | 33.1 | Very low | 32.3 | Very low | 203 Ų | 203 | 166.2 Ų | 166.2 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -98.9 | 109.8 | 166.4 | -80.9 | -175 | 177.6 | -179.9 | 0 | 109.6 | ||||
| 15 | K | 30.7 | Very low | 31.7 | Very low | 198 Ų | 198 | 165.6 Ų | 165.6 | 86% | 0.861 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 121.9 | 168.5 | -71 | -178.9 | 176.8 | -177.4 | 0 | 109.7 | ||
| 16 | I | 29.3 | Very low | 31.2 | Very low | 155 Ų | 155 | 166.2 Ų | 166.2 | 80% | 0.795 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 119.5 | 171.5 | -65 | 171.9 | 0 | 0 | 0 | 108 | ||
| 17 | K | 28.8 | Very low | 30.7 | Very low | 200 Ų | 200 | 165 Ų | 165 | 87% | 0.87 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 129.7 | 171.6 | -75.5 | 180 | 175.2 | -179.2 | 0 | 108.9 | ||
| 18 | I | 29.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 165.6 Ų | 165.6 | 80% | 0.8 | 84% | 0.835 | S | S | * | * | trans | -105.8 | 126.4 | 174.4 | -57 | 170.4 | 0 | 0 | 0 | 107.2 | ||||
| 19 | H | 29.3 | Very low | 29.8 | Very low | 179 Ų | 179 | 163.3 Ų | 163.3 | 83% | 0.829 | 84% | 0.837 | S | S | * | * | trans | -107 | 139.8 | 169.4 | -114.1 | -84.1 | 0 | 0 | 0 | 109.1 | ||||
| 20 | P | 30 | Very low | 29.4 | Very low | 118 Ų | 118 | 161 Ų | 161 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | trans | -86.2 | 147 | -175.2 | 33 | -32.7 | 0 | 0 | 0 | 113.1 | ||||
| 21 | E | 26.8 | Very low | 29.2 | Very low | 202 Ų | 202 | 161.5 Ų | 161.5 | 94% | 0.944 | 83% | 0.83 | S | S | * | * | trans | -85.2 | 145.4 | 175.9 | -164.1 | -174.6 | 146.4 | 0 | 0 | 111.1 | ||||
| 22 | G | 24.6 | Very low | 29.1 | Very low | 64 Ų | 64 | 159.8 Ų | 159.8 | 66% | 0.66 | 83% | 0.829 | S | S | * | * | trans | -159.2 | 128 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 23 | S | 29.9 | Very low | 28.8 | Very low | 130 Ų | 130 | 163.2 Ų | 163.2 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -175.3 | 126.7 | 136 | -77.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | R | 26.5 | Very low | 28.7 | Very low | 236 Ų | 236 | 161.8 Ų | 161.8 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -101.7 | 129.1 | -174.4 | 173.2 | -177 | -178.2 | 178.6 | 2.6 | 109.3 | ||||
| 25 | A | 29.8 | Very low | 28.8 | Very low | 103 Ų | 103 | 158.3 Ų | 158.3 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -99.5 | 137.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 26 | K | 28.7 | Very low | 28.7 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -104.7 | 143.2 | 176.8 | -73.5 | 175.8 | 172.6 | 176.3 | 0 | 109.7 | ||||
| 27 | E | 25.8 | Very low | 28.8 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | trans | -174 | 157.2 | 149.2 | -160.7 | 141.1 | 93.6 | 0 | 0 | 109.8 | ||||
| 28 | K | 28.1 | Very low | 28.8 | Very low | 176 Ų | 176 | 148 Ų | 148 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | cis | -152.8 | 158.5 | -49.4 | -103.6 | 170 | -165.5 | 145.1 | 0 | 107.1 | ||||
| 29 | T | 27.4 | Very low | 28.8 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -50.8 | 141.3 | 170.8 | -55.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 30 | G | 28.3 | Very low | 28.8 | Very low | 79 Ų | 79 | 145.3 Ų | 145.3 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | -150.6 | 108.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | R | 26.3 | Very low | 28.6 | Very low | 210 Ų | 210 | 147.2 Ų | 147.2 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -101.7 | 127.8 | 175.6 | 173.8 | -176.3 | -170.5 | 170.8 | 4.6 | 108 | ||||
| 32 | I | 32.5 | Very low | 28.8 | Very low | 172 Ų | 172 | 146 Ų | 146 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -137.5 | 135.3 | 164.7 | -55.9 | -179.5 | 0 | 0 | 0 | 109 | ||||
| 33 | K | 28.2 | Very low | 29.3 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | trans | -87.3 | 154.7 | -173.1 | -64.7 | 172 | 174.8 | 179.2 | 0 | 111.6 | ||||
| 34 | D | 29.6 | Very low | 29.3 | Very low | 155 Ų | 155 | 150.5 Ų | 150.5 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -61 | 167 | 173.2 | -49 | -75.8 | 0 | 0 | 0 | 114.2 | ||||
| 35 | P | 34.9 | Very low | 29.6 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | -130.7 | 148.8 | 123.5 | 35.9 | -25.8 | 0 | 0 | 0 | 114.3 | |||||
| 36 | A | 27.9 | Very low | 29.8 | Very low | 99 Ų | 99 | 150 Ų | 150 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -68.7 | 150.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 37 | S | 30.5 | Very low | 30.1 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | trans | -146.2 | 142.5 | 148.8 | -167.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 38 | T | 29.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -91.9 | 131.6 | -158.2 | -46.3 | 0 | 0 | 0 | 0 | 111.5 | V40 | T38-V40 HydrophobicContact CG2-CG2 4.03Š| ||
| 39 | H | 29.9 | Very low | 30.7 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -147.3 | 110.7 | 148.4 | -127.2 | 53.8 | 0 | 0 | 0 | 110.8 | ||||
| 40 | V | 29.4 | Very low | 31.1 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | trans | -96.4 | 116.9 | 176.7 | -165.3 | 0 | 0 | 0 | 0 | 106.3 | T38 | T38-V40 HydrophobicContact CG2-CG2 4.03Š| ||
| 41 | M | 26.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -120.1 | 107.3 | 162.2 | -71.7 | -178.2 | 174.6 | 0 | 0 | 106.8 | ||||
| 42 | H | 30.5 | Very low | 31.9 | Very low | 178 Ų | 178 | 148 Ų | 148 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -69 | 125.2 | 166.8 | -103.4 | 80.7 | 0 | 0 | 0 | 108.6 | ||||
| 43 | V | 35.7 | Very low | 32.3 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -138.2 | 125.2 | 156.7 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 44 | D | 29.4 | Very low | 32.9 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -73.4 | 161.7 | -176.2 | -168.7 | 37 | 0 | 0 | 0 | 112.8 | ||||
| 45 | E | 32.1 | Very low | 33.9 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 65% | 0.654 | 78% | 0.778 | S | S | * | * | trans | -60 | 140.4 | -159.8 | -170.7 | 173.9 | 119.5 | 0 | 0 | 118.9 | V47 | E45-V47 HydrophobicContact CG-CG2 4.12Š| ||
| 46 | H | 35 | Very low | 34.1 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | -146.2 | 101.9 | 142.9 | -67.4 | -59.8 | 0 | 0 | 0 | 110.6 | T48 | H46-T48 PolarHBondContact O-N 3.42Š| ||
| 47 | V | 34.5 | Very low | 35.3 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 58% | 0.576 | 77% | 0.773 | S | S | * | * | trans | -67.6 | 116 | 171.7 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | E45 | E45-V47 HydrophobicContact CG-CG2 4.12Š| ||
| 48 | T | 32 | Very low | 36.4 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | -113.1 | 111.8 | 159.7 | 41.7 | 0 | 0 | 0 | 0 | 107.5 | H46 H50 | H46-T48 PolarHBondContact O-N 3.42Å; T48-H50 PolarHBondContact O-N 3.44Å | ||
| 49 | H | 34.5 | Very low | 37.5 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -67.4 | 96.4 | 174 | -71.5 | -83.5 | 0 | 0 | 0 | 108.6 | ||||
| 50 | H | 37.2 | Very low | 38.9 | Very low | 179 Ų | 179 | 134 Ų | 134 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -87.9 | 110.9 | 160.7 | -119.1 | -100.6 | 0 | 0 | 0 | 106.8 | T48 D52 | T48-H50 PolarHBondContact O-N 3.44Å; H50-D52 PolarHBondContact O-N 3.25Å | ||
| 51 | E | 33.6 | Very low | 40.6 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -62.6 | 98.4 | 175.3 | -71.2 | -178.8 | 117.5 | 0 | 0 | 109.1 | A53 | E51-A53 PolarHBondContact O-N 3.04Š| ||
| 52 | D | 36.7 | Very low | 42.5 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -60.5 | 115.9 | 167.1 | -123.3 | -42.5 | 0 | 0 | 0 | 107.7 | H50 A54 | H50-D52 PolarHBondContact O-N 3.25Å; D52-A54 VanDerWaalsContact C-N 3.29Å; D52-A54 PolarHBondContact O-N 2.89Å | ||
| 53 | A | 41.3 | Very low | 44.2 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -62.8 | 93.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | E51 A55 | E51-A53 PolarHBondContact O-N 3.04Å; A53-A55 PolarHBondContact O-N 2.83Å | ||
| 54 | A | 40.4 | Very low | 45.9 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | trans | -50.3 | 111.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | D52 T56 | D52-A54 VanDerWaalsContact C-N 3.29Å; D52-A54 PolarHBondContact O-N 2.89Å; A54-T56 PolarHBondContact O-N 2.63Å; A54-T56 PolarHBondContact O-OG1 2.85Å | ||
| 55 | A | 50.2 | Low | 47.6 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | trans | -53.9 | 99.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | A53 T57 | A53-A55 PolarHBondContact O-N 2.83Å; A55-T57 PolarHBondContact O-N 2.81Å | ||
| 56 | T | 39.8 | Very low | 49.5 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -68.7 | 89.5 | -179.3 | -61.6 | 0 | 0 | 0 | 0 | 106 | A54 S58 | A54-T56 PolarHBondContact O-N 2.63Å; A54-T56 PolarHBondContact O-OG1 2.85Å; T56-S58 PolarHBondContact O-N 2.79Å | ||
| 57 | T | 52.8 | Low | 51.3 | Low | 131 Ų | 131 | 118.1 Ų | 118.1 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | trans | -64 | 86.6 | 157.5 | 33.3 | 0 | 0 | 0 | 0 | 105.5 | A55 P59 | A55-T57 PolarHBondContact O-N 2.81Å; T57-P59 VanDerWaalsContact O-N 3.14Å | ||
| 58 | S | 54.7 | Low | 53.6 | Low | 88 Ų | 88 | 114.7 Ų | 114.7 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | trans | -50.3 | 123.8 | 172.8 | 61.6 | 0 | 0 | 0 | 0 | 107.2 | T56 | T56-S58 PolarHBondContact O-N 2.79Š| ||
| 59 | P | 50.6 | Low | 56 | Low | 105 Ų | 105 | 116.9 Ų | 116.9 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | trans | -57.2 | 146.3 | 175.6 | 24 | -32.4 | 0 | 0 | 0 | 109 | T57 T61 | T57-P59 VanDerWaalsContact O-N 3.14Å; P59-T61 VanDerWaalsContact C-N 3.33Å; P59-T61 PolarHBondContact O-N 3Å; P59-T61 PolarHBondContact O-OG1 3.31Å | ||
| 60 | N | 59.6 | Low | 58.5 | Low | 120 Ų | 120 | 113 Ų | 113 | 64% | 0.642 | 64% | 0.64 | S | S | * | * | trans | -54.3 | 97.5 | 175.6 | -72.1 | -11.1 | 0 | 0 | 0 | 109.2 | Y62 | N60-Y62 PolarHBondContact O-N 3.28Š| ||
| 61 | T | 66.4 | Low | 61.1 | Low | 110 Ų | 110 | 110 Ų | 110 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | trans | -87.2 | 93.4 | 173.5 | -57.4 | 0 | 0 | 0 | 0 | 105.5 | P59 Q63 | P59-T61 VanDerWaalsContact C-N 3.33Å; P59-T61 PolarHBondContact O-N 3Å; P59-T61 PolarHBondContact O-OG1 3.31Å; T61-Q63 PolarHBondContact O-N 3.13Å | ||
| 62 | Y | 66.3 | Low | 64 | Low | 198 Ų | 198 | 101.4 Ų | 101.4 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | trans | -50.7 | 122.6 | -180 | -67 | -83.2 | 0 | 0 | 0 | 109.8 | N60 | N60-Y62 PolarHBondContact O-N 3.28Š| ||
| 63 | Q | 66.3 | Low | 66.8 | Low | 38 Ų | 38 | 95.2 Ų | 95.2 | 18% | 0.178 | 56% | 0.558 | C | S | . | * | trans | -90.6 | 124.1 | 180 | -63.1 | 178.9 | 8.1 | 0 | 0 | 107.9 | T61 Y69 | T61-Q63 PolarHBondContact O-N 3.13Å; Q63-Y69 HydrophobicContact CG-CE2 3.82Å | ||
| 64 | L | 70.1 | Confident | 69.4 | Low | 181 Ų | 181 | 94.4 Ų | 94.4 | 95% | 0.948 | 54% | 0.539 | S | S | * | . | trans | -78.4 | -14.5 | 173.1 | -69.4 | 163.2 | 0 | 0 | 0 | 111.8 | ||||
| 65 | A | 66.5 | Low | 72.1 | Confident | 47 Ų | 47 | 96.2 Ų | 96.2 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -77.7 | 137.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G67 | A65-G67 PolarHBondContact O-N 2.81Š|
| 66 | T | 70.4 | Confident | 74.4 | Confident | 138 Ų | 138 | 95.2 Ų | 95.2 | 85% | 0.847 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -77.8 | 30.2 | -173.8 | 57.5 | 0 | 0 | 0 | 0 | 114 | F150 | T66-F150 WeakPolarHBondContact O-CZ 3.44Š|
| 67 | G | 73.9 | Confident | 77.2 | Confident | 14 Ų | 14 | 89.3 Ų | 89.3 | 14% | 0.144 | 49% | 0.491 | C | S | . | . | S | Bend | trans | 179.9 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A65 | A65-G67 PolarHBondContact O-N 2.81Š|
| 68 | P | 81.8 | Confident | 79.3 | Confident | 23 Ų | 23 | 85.3 Ų | 85.3 | 15% | 0.149 | 47% | 0.468 | C | S | . | . | trans | -67.1 | 140 | -178.8 | 26 | -32.1 | 0 | 0 | 0 | 112.5 | K70 L71 Y122 F150 Y173 | P68-K70 VanDerWaalsContact C-N 3.25Å; P68-K70 PolarHBondContact O-N 2.89Å; P68-L71 HydrophobicContact CG-CD2 3.84Å; P68-Y122 HydrophobicContact CB-CE2 4.15Å; P68-F150 HydrophobicContact CG-CD1 3.58Å; P68-F150 HydrophobicContact CG-CE1 4.06Å; P68-F150 HydrophobicContact CG-CG 4.23Å; P68-Y173 HydrophobicContact CB-CD2 3.93Å; P68-Y173 HydrophobicContact CB-CE2 3.49Å; P68-Y173 VanDerWaalsContact CB-CE2 3.49Å; P68-Y173 HydrophobicContact CG-CD2 4.39Å; P68-Y173 HydrophobicContact CG-CE2 4.24Å | ||
| 69 | Y | 82.2 | Confident | 81.4 | Confident | 170 Ų | 170 | 88 Ų | 88 | 67% | 0.667 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -65.6 | -28.5 | 167.7 | -64.7 | -60.4 | 0 | 0 | 0 | 113.3 | Q63 | Q63-Y69 HydrophobicContact CG-CE2 3.82Š|
| 70 | K | 87.1 | Confident | 83.7 | Confident | 94 Ų | 94 | 83.1 Ų | 83.1 | 41% | 0.409 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -136 | 120.2 | -178.8 | -175.7 | 179.1 | -179.3 | -176.3 | 0 | 109.1 | P68 L117 P120 | P68-K70 VanDerWaalsContact C-N 3.25Å; P68-K70 PolarHBondContact O-N 2.89Å; K70-L117 PolarHBondContact NZ-O 3.33Å; K70-P120 HydrophobicContact CB-CG 4.38Å |
| 71 | L | 91.7 | Very high | 85.6 | Confident | 114 Ų | 114 | 77.4 Ų | 77.4 | 60% | 0.597 | 40% | 0.403 | S | S | * | . | trans | -70.8 | 157.6 | 175.3 | -65.3 | 174.2 | 0 | 0 | 0 | 111.4 | P68 P73 | P68-L71 HydrophobicContact CG-CD2 3.84Å; L71-P73 WeakPolarHBondContact O-CD 3.45Å | ||
| 72 | F | 94.6 | Very high | 87.1 | Confident | 10 Ų | 10 | 78 Ų | 78 | 4% | 0.044 | 40% | 0.397 | C | S | . | . | trans | -64.4 | 121 | 175.7 | -159.4 | -104.3 | 0 | 0 | 0 | 110.6 | I74 I77 I119 Y122 T152 V169 G171 | F72-I74 PolarHBondContact O-N 2.84Å; F72-I77 HydrophobicContact CD1-CD1 3.73Å; F72-I77 HydrophobicContact CE1-CD1 3.14Å; F72-I77 HydrophobicContact CE2-CD1 4Å; F72-I77 HydrophobicContact CG-CD1 4.38Å; F72-I77 HydrophobicContact CZ-CD1 3.3Å; F72-I119 HydrophobicContact CD2-CD1 3.9Å; F72-I119 HydrophobicContact CD2-CG2 4.46Å; F72-I119 HydrophobicContact CE2-CD1 3.85Å; F72-Y122 HydrophobicContact CB-CD1 4.43Å; F72-Y122 HydrophobicContact CB-CE1 3.99Å; F72-Y122 AromaticContact CD2-CD1 3.73Å; F72-Y122 HydrophobicContact CD2-CD1 3.73Å; F72-Y122 HydrophobicContact CD2-CE1 4.14Å; F72-Y122 AromaticContact CD2-CG 3.98Å; F72-Y122 HydrophobicContact CD2-CG 3.98Å; F72-Y122 HydrophobicContact CE2-CD1 4.44Å; F72-Y122 HydrophobicContact CG-CD1 4.44Å; F72-Y122 HydrophobicContact CG-CE1 4.43Å; F72-T152 HydrophobicContact CB-CG2 3.56Å; F72-T152 HydrophobicContact CD1-CG2 3.42Å; F72-T152 VanDerWaalsContact CD1-CG2 3.42Å; F72-T152 HydrophobicContact CE1-CG2 4.36Å; F72-T152 HydrophobicContact CG-CG2 3.78Å; F72-V169 HydrophobicContact CE1-CG1 4.4Å; F72-V169 HydrophobicContact CZ-CG1 4.02Å; F72-G171 VanDerWaalsContact CE2-CA 3.45Å | ||
| 73 | P | 95.5 | Very high | 88.6 | Confident | 29 Ų | 29 | 72 Ų | 72 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | trans | -80.7 | 78.8 | -170 | 33.2 | -35.3 | 0 | 0 | 0 | 111.9 | L71 T75 T76 I77 L117 I119 | L71-P73 WeakPolarHBondContact O-CD 3.45Å; P73-T75 VanDerWaalsContact C-N 3.34Å; P73-T75 PolarHBondContact O-N 2.93Å; P73-T76 PolarHBondContact O-N 3.09Å; P73-I77 HydrophobicContact CG-CD1 4.09Å; P73-I77 HydrophobicContact CG-CG1 4.32Å; P73-I77 WeakPolarHBondContact O-CG1 3.37Å; P73-I77 PolarHBondContact O-N 2.85Å; P73-I77 VanDerWaalsContact O-N 3.07Å; P73-L117 HydrophobicContact CG-CD1 3.76Å; P73-I119 HydrophobicContact CG-CD1 3.71Å; P73-I119 HydrophobicContact CG-CG1 4.11Å | ||
| 74 | I | 97 | Very high | 90.1 | Very high | 79 Ų | 79 | 71.5 Ų | 71.5 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -51.8 | -48.9 | -175.6 | -68.1 | 169.5 | 0 | 0 | 0 | 112.4 | F72 T76 I77 S78 T152 V154 | F72-I74 PolarHBondContact O-N 2.84Å; I74-T76 PolarHBondContact O-N 3.19Å; I74-I77 PolarHBondContact O-N 2.79Å; I74-S78 WeakPolarHBondContact O-CB 3.35Å; I74-S78 PolarHBondContact O-N 3.42Å; I74-T152 HydrophobicContact CD1-CG2 4.19Å; I74-T152 WeakPolarHBondContact CD1-OG1 3.26Å; I74-T152 HydrophobicContact CG1-CG2 4.07Å; I74-V154 HydrophobicContact CB-CG2 4.11Å; I74-V154 HydrophobicContact CG1-CG2 4.11Å; I74-V154 HydrophobicContact CG2-CG2 3.89Å |
| 75 | T | 97.6 | Very high | 91.4 | Very high | 119 Ų | 119 | 62.9 Ų | 62.9 | 73% | 0.73 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | -176.1 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | P73 S78 Y79 | P73-T75 VanDerWaalsContact C-N 3.34Å; P73-T75 PolarHBondContact O-N 2.93Å; T75-S78 PolarHBondContact O-N 2.81Å; T75-Y79 PolarHBondContact O-N 2.86Å; T75-Y79 VanDerWaalsContact O-N 3.1Å |
| 76 | T | 97.8 | Very high | 92.9 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 178.7 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | P73 I74 S78 Y79 I80 L117 | P73-T76 PolarHBondContact O-N 3.09Å; I74-T76 PolarHBondContact O-N 3.19Å; T76-S78 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 3.09Å; T76-Y79 WeakPolarHBondContact O-CB 3.47Å; T76-Y79 PolarHBondContact O-N 3.41Å; T76-I80 HydrophobicContact CG2-CD1 4.32Å; T76-I80 WeakPolarHBondContact O-CG1 3.28Å; T76-I80 PolarHBondContact O-N 2.65Å; T76-L117 HydrophobicContact CG2-CD1 4.08Å; T76-L117 HydrophobicContact CG2-CD2 3.82Å |
| 77 | I | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 179.1 | -65 | 171.4 | 0 | 0 | 0 | 110.9 | F72 P73 I74 Y79 I80 L81 V114 L117 I119 V154 V169 | F72-I77 HydrophobicContact CD1-CD1 3.73Å; F72-I77 HydrophobicContact CE1-CD1 3.14Å; F72-I77 HydrophobicContact CE2-CD1 4Å; F72-I77 HydrophobicContact CG-CD1 4.38Å; F72-I77 HydrophobicContact CZ-CD1 3.3Å; P73-I77 HydrophobicContact CG-CD1 4.09Å; P73-I77 HydrophobicContact CG-CG1 4.32Å; P73-I77 WeakPolarHBondContact O-CG1 3.37Å; P73-I77 PolarHBondContact O-N 2.85Å; P73-I77 VanDerWaalsContact O-N 3.07Å; I74-I77 PolarHBondContact O-N 2.79Å; I77-Y79 PolarHBondContact O-N 3.13Å; I77-I80 PolarHBondContact O-N 3.38Å; I77-L81 HydrophobicContact CG2-CD1 4.5Å; I77-L81 HydrophobicContact CG2-CG 4.42Å; I77-L81 WeakPolarHBondContact O-CG 3.2Å; I77-L81 PolarHBondContact O-N 2.82Å; I77-V114 HydrophobicContact CD1-CG1 4.15Å; I77-V114 HydrophobicContact CG1-CG2 4.26Å; I77-V114 HydrophobicContact CG2-CG2 4.21Å; I77-L117 HydrophobicContact CD1-CD1 4.3Å; I77-L117 HydrophobicContact CG1-CD1 3.72Å; I77-I119 HydrophobicContact CD1-CD1 4.34Å; I77-V154 HydrophobicContact CB-CG2 4.27Å; I77-V154 HydrophobicContact CG2-CB 4.14Å; I77-V154 HydrophobicContact CG2-CG1 4.48Å; I77-V154 HydrophobicContact CG2-CG2 4.13Å; I77-V169 HydrophobicContact CG2-CB 4.08Å; I77-V169 HydrophobicContact CG2-CG1 4.22Å; I77-V169 HydrophobicContact CG2-CG2 4.08Å |
| 78 | S | 98.3 | Very high | 95.2 | Very high | 47 Ų | 47 | 63 Ų | 63 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | I74 T75 T76 K82 | I74-S78 WeakPolarHBondContact O-CB 3.35Å; I74-S78 PolarHBondContact O-N 3.42Å; T75-S78 PolarHBondContact O-N 2.81Å; T76-S78 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 3.09Å; S78-K82 WeakPolarHBondContact O-CB 3.43Å; S78-K82 PolarHBondContact O-N 3.13Å; S78-K82 VanDerWaalsContact O-N 3.13Å |
| 79 | Y | 98.4 | Very high | 95.9 | Very high | 143 Ų | 143 | 62 Ų | 62 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.3 | -48 | 175.1 | 180 | -90.6 | 0 | 0 | 0 | 111.2 | T75 T76 I77 L81 K82 E83 | T75-Y79 PolarHBondContact O-N 2.86Å; T75-Y79 VanDerWaalsContact O-N 3.1Å; T76-Y79 WeakPolarHBondContact O-CB 3.47Å; T76-Y79 PolarHBondContact O-N 3.41Å; I77-Y79 PolarHBondContact O-N 3.13Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 2.82Å; Y79-K82 PolarHBondContact O-N 3.09Å; Y79-K82 VanDerWaalsContact O-N 3.13Å; Y79-E83 HydrophobicContact CE1-CB 4.28Å; Y79-E83 VanDerWaalsContact CE1-OE2 3.25Å; Y79-E83 WeakPolarHBondContact CE1-OE2 3.49Å; Y79-E83 WeakPolarHBondContact O-CB 3.34Å; Y79-E83 PolarHBondContact O-N 3.11Å; Y79-E83 PolarHBondContact OH-OE1 3.49Å |
| 80 | I | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54 | -49.3 | 175.7 | -68.2 | 166.3 | 0 | 0 | 0 | 110.4 | T76 I77 K82 E83 E84 R113 L117 | T76-I80 HydrophobicContact CG2-CD1 4.32Å; T76-I80 WeakPolarHBondContact O-CG1 3.28Å; T76-I80 PolarHBondContact O-N 2.65Å; I77-I80 PolarHBondContact O-N 3.38Å; I80-K82 PolarHBondContact O-N 3.31Å; I80-E83 PolarHBondContact O-N 3.33Å; I80-E84 HydrophobicContact CG2-CG 4.16Å; I80-E84 WeakPolarHBondContact O-CG 3.49Å; I80-E84 PolarHBondContact O-N 3.1Å; I80-R113 HydrophobicContact CD1-CB 4.25Å; I80-R113 HydrophobicContact CG2-CB 3.62Å; I80-R113 HydrophobicContact CG2-CG 4.32Å; I80-L117 HydrophobicContact CD1-CD1 4.02Å; I80-L117 HydrophobicContact CD1-CD2 4.4Å; I80-L117 HydrophobicContact CD1-CG 4.4Å |
| 81 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 178 | -72.9 | -178.9 | 0 | 0 | 0 | 111.8 | I77 Y79 E83 I85 I110 V154 H156 A167 V169 | I77-L81 HydrophobicContact CG2-CD1 4.5Å; I77-L81 HydrophobicContact CG2-CG 4.42Å; I77-L81 WeakPolarHBondContact O-CG 3.2Å; I77-L81 PolarHBondContact O-N 2.82Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 2.82Å; L81-E83 PolarHBondContact O-N 3.38Å; L81-I85 HydrophobicContact CB-CD1 4.32Å; L81-I85 HydrophobicContact CD2-CD1 4.46Å; L81-I85 WeakPolarHBondContact O-CB 3.21Å; L81-I85 VanDerWaalsContact O-CD1 3.23Å; L81-I85 WeakPolarHBondContact O-CD1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.42Å; L81-I85 PolarHBondContact O-N 2.65Å; L81-I85 VanDerWaalsContact O-N 3.1Å; L81-I110 HydrophobicContact CD2-CD1 3.67Å; L81-I110 HydrophobicContact CD2-CG1 4.06Å; L81-I110 HydrophobicContact CD2-CG2 3.68Å; L81-V154 HydrophobicContact CD1-CB 4.39Å; L81-V154 HydrophobicContact CD1-CG1 4.09Å; L81-H156 HydrophobicContact CB-CB 3.77Å; L81-H156 HydrophobicContact CD1-CB 4.06Å; L81-A167 HydrophobicContact CD2-CB 4.03Å; L81-V169 HydrophobicContact CD1-CG2 4.02Å; L81-V169 HydrophobicContact CD2-CG2 3.76Å; L81-V169 HydrophobicContact CG-CG2 4.18Å |
| 82 | K | 98.3 | Very high | 97.1 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 53% | 0.53 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | -179.9 | -177.1 | 179.3 | 178.8 | -176.3 | 0 | 111.6 | S78 Y79 I80 T86 | S78-K82 WeakPolarHBondContact O-CB 3.43Å; S78-K82 PolarHBondContact O-N 3.13Å; S78-K82 VanDerWaalsContact O-N 3.13Å; Y79-K82 PolarHBondContact O-N 3.09Å; Y79-K82 VanDerWaalsContact O-N 3.13Å; I80-K82 PolarHBondContact O-N 3.31Å; K82-T86 WeakPolarHBondContact O-CB 3.23Å; K82-T86 PolarHBondContact O-N 2.85Å; K82-T86 VanDerWaalsContact O-N 3.09Å; K82-T86 PolarHBondContact O-OG1 2.72Å |
| 83 | E | 98.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -58.6 | -179 | -178.5 | 171.1 | -132.6 | 0 | 0 | 111.2 | Y79 I80 L81 I85 T86 H87 | Y79-E83 HydrophobicContact CE1-CB 4.28Å; Y79-E83 VanDerWaalsContact CE1-OE2 3.25Å; Y79-E83 WeakPolarHBondContact CE1-OE2 3.49Å; Y79-E83 WeakPolarHBondContact O-CB 3.34Å; Y79-E83 PolarHBondContact O-N 3.11Å; Y79-E83 PolarHBondContact OH-OE1 3.49Å; I80-E83 PolarHBondContact O-N 3.33Å; L81-E83 PolarHBondContact O-N 3.38Å; E83-I85 PolarHBondContact O-N 2.81Å; E83-T86 PolarHBondContact O-N 2.78Å; E83-H87 WeakPolarHBondContact O-CB 3.4Å; E83-H87 PolarHBondContact O-N 3.36Å |
| 84 | E | 97.9 | Very high | 97.3 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | -174.7 | -61.7 | -57.8 | 158.3 | 0 | 0 | 112.1 | I80 H87 C88 L106 V109 I110 R113 | I80-E84 HydrophobicContact CG2-CG 4.16Å; I80-E84 WeakPolarHBondContact O-CG 3.49Å; I80-E84 PolarHBondContact O-N 3.1Å; E84-H87 PolarHBondContact O-N 3.28Å; E84-C88 WeakPolarHBondContact O-CB 3.16Å; E84-C88 PolarHBondContact O-N 2.83Å; E84-C88 PolarHBondContact O-SG 2.88Å; E84-C88 VanDerWaalsContact O-SG 3.4Å; E84-L106 HydrophobicContact CB-CD2 4.43Å; E84-V109 HydrophobicContact CB-CG1 4.44Å; E84-V109 VanDerWaalsContact CD-CG1 3.48Å; E84-V109 HydrophobicContact CG-CG1 3.92Å; E84-V109 WeakPolarHBondContact OE2-CG1 3.44Å; E84-I110 HydrophobicContact CB-CG1 4.35Å; E84-R113 IonicContact OE1-NE 3.65Å |
| 85 | I | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 179.7 | -65.8 | 168 | 0 | 0 | 0 | 110.4 | L81 E83 L89 H156 F158 C165 A167 | L81-I85 HydrophobicContact CB-CD1 4.32Å; L81-I85 HydrophobicContact CD2-CD1 4.46Å; L81-I85 WeakPolarHBondContact O-CB 3.21Å; L81-I85 VanDerWaalsContact O-CD1 3.23Å; L81-I85 WeakPolarHBondContact O-CD1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.42Å; L81-I85 PolarHBondContact O-N 2.65Å; L81-I85 VanDerWaalsContact O-N 3.1Å; E83-I85 PolarHBondContact O-N 2.81Å; I85-L89 HydrophobicContact CG2-CD1 4Å; I85-L89 VanDerWaalsContact O-CB 3.27Å; I85-L89 WeakPolarHBondContact O-CB 3.42Å; I85-L89 WeakPolarHBondContact O-CG 3.1Å; I85-L89 PolarHBondContact O-N 3.02Å; I85-H156 HydrophobicContact CD1-CB 4.38Å; I85-F158 HydrophobicContact CG2-CB 3.45Å; I85-F158 VanDerWaalsContact CG2-CB 3.45Å; I85-F158 HydrophobicContact CG2-CD1 4.18Å; I85-F158 HydrophobicContact CG2-CG 3.85Å; I85-C165 HydrophobicContact CG2-CB 4.12Å; I85-A167 HydrophobicContact CD1-CB 3.42Å; I85-A167 VanDerWaalsContact CD1-CB 3.42Å; I85-A167 HydrophobicContact CG1-CB 4.5Å |
| 86 | T | 97.6 | Very high | 97.3 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 178.6 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | K82 E83 R90 F158 | K82-T86 WeakPolarHBondContact O-CB 3.23Å; K82-T86 PolarHBondContact O-N 2.85Å; K82-T86 VanDerWaalsContact O-N 3.09Å; K82-T86 PolarHBondContact O-OG1 2.72Å; E83-T86 PolarHBondContact O-N 2.78Å; T86-R90 HydrophobicContact CG2-CB 4.49Å; T86-R90 WeakPolarHBondContact O-CB 3.18Å; T86-R90 PolarHBondContact O-N 3.43Å; T86-R90 VanDerWaalsContact O-N 3.11Å; T86-F158 HydrophobicContact CG2-CE2 4.49Å |
| 87 | H | 96.8 | Very high | 97.2 | Very high | 148 Ų | 148 | 66.9 Ų | 66.9 | 69% | 0.685 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.7 | -46.9 | 179.6 | 176.3 | -102.6 | 0 | 0 | 0 | 111.9 | E83 E84 | E83-H87 WeakPolarHBondContact O-CB 3.4Å; E83-H87 PolarHBondContact O-N 3.36Å; E84-H87 PolarHBondContact O-N 3.28Å |
| 88 | C | 95.2 | Very high | 97.1 | Very high | 32 Ų | 32 | 70.9 Ų | 70.9 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -78.1 | -32.7 | -177.4 | -64.9 | 0 | 0 | 0 | 0 | 114 | E84 M102 L106 | E84-C88 WeakPolarHBondContact O-CB 3.16Å; E84-C88 PolarHBondContact O-N 2.83Å; E84-C88 PolarHBondContact O-SG 2.88Å; E84-C88 VanDerWaalsContact O-SG 3.4Å; C88-M102 HydrophobicContact CB-SD 3.99Å; C88-L106 HydrophobicContact CB-CD2 3.91Å; C88-L106 HydrophobicContact CB-CG 4.33Å |
| 89 | L | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -111.2 | -7.5 | -166.2 | -54.9 | -174.1 | 0 | 0 | 0 | 115.1 | I85 D91 M92 M102 L106 I130 F158 N160 L163 C165 | I85-L89 HydrophobicContact CG2-CD1 4Å; I85-L89 VanDerWaalsContact O-CB 3.27Å; I85-L89 WeakPolarHBondContact O-CB 3.42Å; I85-L89 WeakPolarHBondContact O-CG 3.1Å; I85-L89 PolarHBondContact O-N 3.02Å; L89-D91 VanDerWaalsContact C-N 3.33Å; L89-D91 PolarHBondContact O-N 3.2Å; L89-M92 HydrophobicContact CD2-SD 3.62Å; L89-M92 PolarHBondContact O-N 2.93Å; L89-M102 HydrophobicContact CD2-CG 3.6Å; L89-M102 HydrophobicContact CD2-SD 4.37Å; L89-L106 HydrophobicContact CD1-CD1 3.87Å; L89-L106 HydrophobicContact CD2-CD1 4.04Å; L89-L106 HydrophobicContact CG-CD1 3.99Å; L89-I130 HydrophobicContact CD1-CD1 4.24Å; L89-I130 HydrophobicContact CD1-CG1 4.5Å; L89-I130 HydrophobicContact CD2-CD1 4.19Å; L89-F158 HydrophobicContact CB-CD1 4.02Å; L89-F158 HydrophobicContact CB-CE1 3.75Å; L89-F158 HydrophobicContact CD1-CD1 4.41Å; L89-N160 PolarHBondContact O-ND2 2.76Å; L89-L163 HydrophobicContact CB-CD1 4.33Å; L89-L163 HydrophobicContact CD1-CD1 4.25Å; L89-C165 HydrophobicContact CD1-CB 3.3Å |
| 90 | R | 96.4 | Very high | 97 | Very high | 152 Ų | 152 | 70.7 Ų | 70.7 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -48.8 | -176.7 | 178.8 | -177.2 | -65.6 | 167.7 | -1.2 | 112.7 | T86 | T86-R90 HydrophobicContact CG2-CB 4.49Å; T86-R90 WeakPolarHBondContact O-CB 3.18Å; T86-R90 PolarHBondContact O-N 3.43Å; T86-R90 VanDerWaalsContact O-N 3.11Å |
| 91 | D | 94.8 | Very high | 96.9 | Very high | 148 Ų | 148 | 76.1 Ų | 76.1 | 79% | 0.791 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 8.4 | -173.8 | -55.7 | -55 | 0 | 0 | 0 | 112.9 | L89 | L89-D91 VanDerWaalsContact C-N 3.33Å; L89-D91 PolarHBondContact O-N 3.2Å |
| 92 | M | 95.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 77.6 Ų | 77.6 | 9% | 0.089 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 134.5 | -179.6 | -179.9 | 174.7 | 166.6 | 0 | 0 | 111.5 | L89 H98 M102 N160 L163 | L89-M92 HydrophobicContact CD2-SD 3.62Å; L89-M92 PolarHBondContact O-N 2.93Å; M92-H98 HydrophobicContact CE-CB 4.48Å; M92-H98 WeakPolarHBondContact CE-CD2 3.14Å; M92-M102 HydrophobicContact CE-CB 4.06Å; M92-M102 HydrophobicContact CE-CG 4.29Å; M92-M102 HydrophobicContact SD-CB 4.25Å; M92-M102 HydrophobicContact SD-CE 3.99Å; M92-M102 HydrophobicContact SD-CG 3.84Å; M92-N160 PolarHBondContact O-ND2 2.94Å; M92-L163 HydrophobicContact CB-CD2 4.5Å; M92-L163 HydrophobicContact CE-CD2 4.4Å; M92-L163 HydrophobicContact CG-CD2 4.13Å; M92-L163 HydrophobicContact SD-CD2 4.37Å |
| 93 | Q | 96.9 | Very high | 96.9 | Very high | 122 Ų | 122 | 73.1 Ų | 73.1 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 144.7 | 168.8 | -65.3 | -71.6 | 25.1 | 0 | 0 | 111.3 | E95 S162 | Q93-E95 PolarHBondContact O-N 3.22Å; Q93-S162 WeakPolarHBondContact CA-OG 3.41Å; Q93-S162 PolarHBondContact OE1-OG 3.47Å |
| 94 | Y | 97.8 | Very high | 96.9 | Very high | 70 Ų | 70 | 75.2 Ų | 75.2 | 28% | 0.275 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 118.5 | 176.3 | -172.6 | -97.6 | 0 | 0 | 0 | 111.5 | P96 S99 Q132 S162 L163 | Y94-P96 HydrophobicContact CE1-CG 4Å; Y94-S99 WeakPolarHBondContact CD2-OG 3.29Å; Y94-Q132 HydrophobicContact CD1-CB 3.57Å; Y94-Q132 HydrophobicContact CD1-CG 3.59Å; Y94-Q132 HydrophobicContact CD2-CB 4.09Å; Y94-Q132 HydrophobicContact CE1-CB 3.62Å; Y94-Q132 HydrophobicContact CE1-CG 4.07Å; Y94-Q132 HydrophobicContact CE2-CB 4.13Å; Y94-Q132 VanDerWaalsContact CE2-N 3.29Å; Y94-Q132 HydrophobicContact CG-CB 3.8Å; Y94-Q132 HydrophobicContact CG-CG 3.92Å; Y94-S162 PolarHBondContact N-OG 2.98Å; Y94-L163 HydrophobicContact CD2-CB 4.01Å; Y94-L163 HydrophobicContact CG-CB 4.48Å |
| 95 | E | 97.5 | Very high | 96.8 | Very high | 79 Ų | 79 | 77.5 Ų | 77.5 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | trans | -134.8 | 131.1 | 165.2 | -170.1 | -75.2 | 131.7 | 0 | 0 | 107.9 | Q93 L97 H98 S99 | Q93-E95 PolarHBondContact O-N 3.22Å; E95-L97 PolarHBondContact O-N 2.8Å; E95-L97 PolarHBondContact OE1-N 3.11Å; E95-L97 VanDerWaalsContact OE1-N 3.09Å; E95-L97 PolarHBondContact OE2-N 2.68Å; E95-L97 VanDerWaalsContact OE2-N 3.1Å; E95-H98 HydrophobicContact CB-CB 4.27Å; E95-H98 WeakPolarHBondContact OE2-CB 3.17Å; E95-H98 PolarHBondContact OE2-N 3.5Å; E95-S99 WeakPolarHBondContact O-CB 3.1Å; E95-S99 PolarHBondContact O-N 3.33Å; E95-S99 PolarHBondContact O-OG 3.35Å | ||
| 96 | P | 95.9 | Very high | 96.8 | Very high | 81 Ų | 81 | 77.5 Ų | 77.5 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.8 | -44.2 | -170.2 | -28.5 | 34.6 | 0 | 0 | 0 | 116 | Y94 R100 | Y94-P96 HydrophobicContact CE1-CG 4Å; P96-R100 PolarHBondContact O-N 3.45Å |
| 97 | L | 96.9 | Very high | 96.9 | Very high | 117 Ų | 117 | 77.2 Ų | 77.2 | 61% | 0.613 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -73.1 | -46.3 | -176.3 | -64.8 | 175 | 0 | 0 | 0 | 111 | E95 S99 R100 E101 | E95-L97 PolarHBondContact O-N 2.8Å; E95-L97 PolarHBondContact OE1-N 3.11Å; E95-L97 VanDerWaalsContact OE1-N 3.09Å; E95-L97 PolarHBondContact OE2-N 2.68Å; E95-L97 VanDerWaalsContact OE2-N 3.1Å; L97-S99 VanDerWaalsContact C-N 3.35Å; L97-S99 PolarHBondContact O-N 3.1Å; L97-R100 WeakPolarHBondContact O-CB 3.32Å; L97-R100 PolarHBondContact O-N 2.92Å; L97-E101 PolarHBondContact O-N 3.1Å; L97-E101 VanDerWaalsContact O-N 3.11Å |
| 98 | H | 96.2 | Very high | 96.9 | Very high | 83 Ų | 83 | 74.9 Ų | 74.9 | 38% | 0.384 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 177.9 | -168.1 | 54.1 | 0 | 0 | 0 | 111.6 | M92 E95 R100 E101 M102 | M92-H98 HydrophobicContact CE-CB 4.48Å; M92-H98 WeakPolarHBondContact CE-CD2 3.14Å; E95-H98 HydrophobicContact CB-CB 4.27Å; E95-H98 WeakPolarHBondContact OE2-CB 3.17Å; E95-H98 PolarHBondContact OE2-N 3.5Å; H98-R100 VanDerWaalsContact C-N 3.3Å; H98-R100 PolarHBondContact O-N 2.87Å; H98-E101 PolarHBondContact O-N 3.28Å; H98-M102 WeakPolarHBondContact O-CB 3.46Å; H98-M102 PolarHBondContact O-N 3.29Å |
| 99 | S | 96.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 75.6 Ų | 75.6 | 3% | 0.028 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | Y94 E95 L97 T103 | Y94-S99 WeakPolarHBondContact CD2-OG 3.29Å; E95-S99 WeakPolarHBondContact O-CB 3.1Å; E95-S99 PolarHBondContact O-N 3.33Å; E95-S99 PolarHBondContact O-OG 3.35Å; L97-S99 VanDerWaalsContact C-N 3.35Å; L97-S99 PolarHBondContact O-N 3.1Å; S99-T103 WeakPolarHBondContact O-CB 3.27Å; S99-T103 PolarHBondContact O-N 3.35Å; S99-T103 PolarHBondContact O-OG1 2.88Å |
| 100 | R | 96.8 | Very high | 97.1 | Very high | 183 Ų | 183 | 75.6 Ų | 75.6 | 69% | 0.691 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.3 | -48.3 | 174.2 | 176.1 | -175.6 | 173.7 | 179.8 | -1.9 | 111.1 | P96 L97 H98 T103 L104 | P96-R100 PolarHBondContact O-N 3.45Å; L97-R100 WeakPolarHBondContact O-CB 3.32Å; L97-R100 PolarHBondContact O-N 2.92Å; H98-R100 VanDerWaalsContact C-N 3.3Å; H98-R100 PolarHBondContact O-N 2.87Å; R100-T103 WeakPolarHBondContact O-CB 3.27Å; R100-T103 PolarHBondContact O-N 3.17Å; R100-L104 PolarHBondContact O-N 3.27Å |
| 101 | E | 97.4 | Very high | 97.2 | Very high | 118 Ų | 118 | 72.1 Ų | 72.1 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 176.8 | -68.9 | 173 | 175.6 | 0 | 0 | 111 | L97 H98 T103 L104 T105 | L97-E101 PolarHBondContact O-N 3.1Å; L97-E101 VanDerWaalsContact O-N 3.11Å; H98-E101 PolarHBondContact O-N 3.28Å; E101-T103 VanDerWaalsContact C-N 3.26Å; E101-T103 PolarHBondContact O-N 3.49Å; E101-L104 WeakPolarHBondContact O-CB 3.48Å; E101-L104 PolarHBondContact O-N 3Å; E101-T105 PolarHBondContact O-N 3.31Å; E101-T105 PolarHBondContact O-OG1 2.86Å |
| 102 | M | 97.4 | Very high | 97.3 | Very high | 30 Ų | 30 | 68.1 Ų | 68.1 | 15% | 0.148 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.1 | -37 | 178.1 | -174.8 | 57.7 | 71.1 | 0 | 0 | 112.3 | C88 L89 M92 H98 L104 T105 L106 I130 | C88-M102 HydrophobicContact CB-SD 3.99Å; L89-M102 HydrophobicContact CD2-CG 3.6Å; L89-M102 HydrophobicContact CD2-SD 4.37Å; M92-M102 HydrophobicContact CE-CB 4.06Å; M92-M102 HydrophobicContact CE-CG 4.29Å; M92-M102 HydrophobicContact SD-CB 4.25Å; M92-M102 HydrophobicContact SD-CE 3.99Å; M92-M102 HydrophobicContact SD-CG 3.84Å; H98-M102 WeakPolarHBondContact O-CB 3.46Å; H98-M102 PolarHBondContact O-N 3.29Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 3.38Å; M102-T105 PolarHBondContact O-N 3.07Å; M102-L106 HydrophobicContact CG-CD1 4.25Å; M102-L106 WeakPolarHBondContact O-CB 3.13Å; M102-L106 PolarHBondContact O-N 3.37Å; M102-L106 HydrophobicContact SD-CG 4.34Å; M102-I130 HydrophobicContact CB-CD1 4.23Å; M102-I130 HydrophobicContact CG-CD1 4.01Å |
| 103 | T | 98 | Very high | 97.4 | Very high | 28 Ų | 28 | 71.3 Ų | 71.3 | 17% | 0.172 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 175.7 | -60 | 0 | 0 | 0 | 0 | 111.3 | S99 R100 E101 C107 V128 I130 | S99-T103 WeakPolarHBondContact O-CB 3.27Å; S99-T103 PolarHBondContact O-N 3.35Å; S99-T103 PolarHBondContact O-OG1 2.88Å; R100-T103 WeakPolarHBondContact O-CB 3.27Å; R100-T103 PolarHBondContact O-N 3.17Å; E101-T103 VanDerWaalsContact C-N 3.26Å; E101-T103 PolarHBondContact O-N 3.49Å; T103-C107 PolarHBondContact O-N 2.77Å; T103-C107 PolarHBondContact O-SG 2.96Å; T103-V128 HydrophobicContact CG2-CB 4.02Å; T103-V128 HydrophobicContact CG2-CG1 4.07Å; T103-V128 WeakPolarHBondContact CG2-O 3.38Å; T103-I130 WeakPolarHBondContact OG1-CD1 3.5Å; T103-I130 WeakPolarHBondContact OG1-CG1 3.18Å |
| 104 | L | 97.6 | Very high | 97.4 | Very high | 118 Ų | 118 | 65.6 Ų | 65.6 | 62% | 0.618 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.2 | -44.5 | 177.5 | -63.7 | 175.6 | 0 | 0 | 0 | 111.3 | R100 E101 M102 L106 C107 E108 | R100-L104 PolarHBondContact O-N 3.27Å; E101-L104 WeakPolarHBondContact O-CB 3.48Å; E101-L104 PolarHBondContact O-N 3Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 3.38Å; L104-L106 PolarHBondContact O-N 2.95Å; L104-C107 WeakPolarHBondContact O-CB 3.47Å; L104-C107 PolarHBondContact O-N 3.16Å; L104-E108 PolarHBondContact O-N 2.77Å |
| 105 | T | 97.7 | Very high | 97.3 | Very high | 74 Ų | 74 | 69.1 Ų | 69.1 | 45% | 0.454 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | E101 M102 C107 E108 V109 | E101-T105 PolarHBondContact O-N 3.31Å; E101-T105 PolarHBondContact O-OG1 2.86Å; M102-T105 PolarHBondContact O-N 3.07Å; T105-C107 VanDerWaalsContact C-N 3.31Å; T105-C107 PolarHBondContact O-N 3.31Å; T105-E108 PolarHBondContact O-N 3.43Å; T105-E108 VanDerWaalsContact O-N 3.12Å; T105-V109 HydrophobicContact CG2-CG2 4.37Å; T105-V109 WeakPolarHBondContact O-CG2 3.3Å; T105-V109 PolarHBondContact O-N 3.4Å |
| 106 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 176.6 | -86.6 | 172.9 | 0 | 0 | 0 | 112 | E84 C88 L89 M102 L104 E108 V109 I110 I130 | E84-L106 HydrophobicContact CB-CD2 4.43Å; C88-L106 HydrophobicContact CB-CD2 3.91Å; C88-L106 HydrophobicContact CB-CG 4.33Å; L89-L106 HydrophobicContact CD1-CD1 3.87Å; L89-L106 HydrophobicContact CD2-CD1 4.04Å; L89-L106 HydrophobicContact CG-CD1 3.99Å; M102-L106 HydrophobicContact CG-CD1 4.25Å; M102-L106 WeakPolarHBondContact O-CB 3.13Å; M102-L106 PolarHBondContact O-N 3.37Å; M102-L106 HydrophobicContact SD-CG 4.34Å; L104-L106 PolarHBondContact O-N 2.95Å; L106-E108 VanDerWaalsContact C-N 3.31Å; L106-E108 PolarHBondContact O-N 3.44Å; L106-V109 PolarHBondContact O-N 3.08Å; L106-I110 VanDerWaalsContact O-CB 3.31Å; L106-I110 WeakPolarHBondContact O-CB 3.43Å; L106-I110 WeakPolarHBondContact O-CD1 3.45Å; L106-I110 WeakPolarHBondContact O-CG1 3.36Å; L106-I110 PolarHBondContact O-N 2.79Å; L106-I130 HydrophobicContact CD1-CD1 4.07Å |
| 107 | C | 98.2 | Very high | 97.2 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 11% | 0.108 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.3 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | T103 L104 T105 R111 V128 | T103-C107 PolarHBondContact O-N 2.77Å; T103-C107 PolarHBondContact O-SG 2.96Å; L104-C107 WeakPolarHBondContact O-CB 3.47Å; L104-C107 PolarHBondContact O-N 3.16Å; T105-C107 VanDerWaalsContact C-N 3.31Å; T105-C107 PolarHBondContact O-N 3.31Å; C107-R111 WeakPolarHBondContact O-CB 3.19Å; C107-R111 PolarHBondContact O-N 2.7Å; C107-V128 WeakPolarHBondContact SG-CG2 3.22Å |
| 108 | E | 98 | Very high | 97 | Very high | 100 Ų | 100 | 70.2 Ų | 70.2 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.1 | -44.6 | -179.8 | -164.9 | 62.1 | -110.5 | 0 | 0 | 112.6 | L104 T105 L106 R111 T112 | L104-E108 PolarHBondContact O-N 2.77Å; T105-E108 PolarHBondContact O-N 3.43Å; T105-E108 VanDerWaalsContact O-N 3.12Å; L106-E108 VanDerWaalsContact C-N 3.31Å; L106-E108 PolarHBondContact O-N 3.44Å; E108-R111 WeakPolarHBondContact O-CB 3.33Å; E108-R111 PolarHBondContact O-N 2.87Å; E108-R111 IonicContact OE1-NH1 2.88Å; E108-R111 PolarHBondContact OE1-NH1 2.92Å; E108-R111 IonicContact OE2-CZ 3.86Å; E108-R111 IonicContact OE2-NH1 2.63Å; E108-R111 PolarHBondContact OE2-NH1 2.79Å; E108-T112 WeakPolarHBondContact O-CB 3.44Å; E108-T112 PolarHBondContact O-N 3.38Å; E108-T112 PolarHBondContact O-OG1 2.84Å |
| 109 | V | 98 | Very high | 96.7 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 178 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | E84 T105 L106 R111 T112 R113 | E84-V109 HydrophobicContact CB-CG1 4.44Å; E84-V109 VanDerWaalsContact CD-CG1 3.48Å; E84-V109 HydrophobicContact CG-CG1 3.92Å; E84-V109 WeakPolarHBondContact OE2-CG1 3.44Å; T105-V109 HydrophobicContact CG2-CG2 4.37Å; T105-V109 WeakPolarHBondContact O-CG2 3.3Å; T105-V109 PolarHBondContact O-N 3.4Å; L106-V109 PolarHBondContact O-N 3.08Å; V109-R111 VanDerWaalsContact C-N 3.3Å; V109-R111 PolarHBondContact O-N 2.98Å; V109-T112 PolarHBondContact O-N 3.19Å; V109-R113 HydrophobicContact CG1-CG 4.41Å; V109-R113 VanDerWaalsContact O-CG 3.26Å; V109-R113 WeakPolarHBondContact O-CG 3.38Å; V109-R113 PolarHBondContact O-N 3.42Å |
| 110 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.4 | -65.9 | 163.8 | 0 | 0 | 0 | 110.3 | L81 E84 L106 T112 R113 V114 I126 V128 A167 V169 | L81-I110 HydrophobicContact CD2-CD1 3.67Å; L81-I110 HydrophobicContact CD2-CG1 4.06Å; L81-I110 HydrophobicContact CD2-CG2 3.68Å; E84-I110 HydrophobicContact CB-CG1 4.35Å; L106-I110 VanDerWaalsContact O-CB 3.31Å; L106-I110 WeakPolarHBondContact O-CB 3.43Å; L106-I110 WeakPolarHBondContact O-CD1 3.45Å; L106-I110 WeakPolarHBondContact O-CG1 3.36Å; L106-I110 PolarHBondContact O-N 2.79Å; I110-T112 VanDerWaalsContact C-N 3.33Å; I110-T112 PolarHBondContact O-N 3.07Å; I110-R113 PolarHBondContact O-N 3.48Å; I110-V114 HydrophobicContact CG2-CG2 4.17Å; I110-V114 WeakPolarHBondContact O-CB 3.14Å; I110-V114 WeakPolarHBondContact O-CG2 3.44Å; I110-V114 PolarHBondContact O-N 2.84Å; I110-I126 HydrophobicContact CB-CD1 4.43Å; I110-I126 HydrophobicContact CG2-CD1 3.94Å; I110-I126 HydrophobicContact CG2-CG1 4.45Å; I110-I126 HydrophobicContact CG2-CG2 4.26Å; I110-V128 HydrophobicContact CD1-CG2 4.22Å; I110-A167 HydrophobicContact CD1-CB 4.45Å; I110-V169 HydrophobicContact CG2-CG2 3.97Å |
| 111 | R | 97.3 | Very high | 96 | Very high | 79 Ų | 79 | 63.3 Ų | 63.3 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 178.4 | -169.9 | -176.5 | -59.7 | 106 | -0.4 | 111.9 | C107 E108 V109 V114 K115 I126 | C107-R111 WeakPolarHBondContact O-CB 3.19Å; C107-R111 PolarHBondContact O-N 2.7Å; E108-R111 WeakPolarHBondContact O-CB 3.33Å; E108-R111 PolarHBondContact O-N 2.87Å; E108-R111 IonicContact OE1-NH1 2.88Å; E108-R111 PolarHBondContact OE1-NH1 2.92Å; E108-R111 IonicContact OE2-CZ 3.86Å; E108-R111 IonicContact OE2-NH1 2.63Å; E108-R111 PolarHBondContact OE2-NH1 2.79Å; V109-R111 VanDerWaalsContact C-N 3.3Å; V109-R111 PolarHBondContact O-N 2.98Å; R111-V114 PolarHBondContact O-N 3.49Å; R111-K115 HydrophobicContact CG-CD 4.29Å; R111-K115 WeakPolarHBondContact O-CB 3.46Å; R111-K115 WeakPolarHBondContact O-CG 3.48Å; R111-K115 PolarHBondContact O-N 2.97Å; R111-I126 HydrophobicContact CB-CD1 3.52Å; R111-I126 HydrophobicContact CG-CD1 4.03Å |
| 112 | T | 97.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -51.6 | -179.3 | -58.5 | 0 | 0 | 0 | 0 | 110 | E108 V109 I110 V114 K115 E116 | E108-T112 WeakPolarHBondContact O-CB 3.44Å; E108-T112 PolarHBondContact O-N 3.38Å; E108-T112 PolarHBondContact O-OG1 2.84Å; V109-T112 PolarHBondContact O-N 3.19Å; I110-T112 VanDerWaalsContact C-N 3.33Å; I110-T112 PolarHBondContact O-N 3.07Å; T112-V114 VanDerWaalsContact C-N 3.33Å; T112-V114 PolarHBondContact O-N 3.35Å; T112-K115 PolarHBondContact O-N 3.44Å; T112-K115 VanDerWaalsContact O-N 3.1Å; T112-E116 WeakPolarHBondContact O-CG 3.25Å; T112-E116 PolarHBondContact O-N 3.17Å |
| 113 | R | 97.8 | Very high | 95.7 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 178.8 | -63.4 | -70 | -73 | 138.6 | -4.4 | 113 | I80 E84 V109 I110 E116 | I80-R113 HydrophobicContact CD1-CB 4.25Å; I80-R113 HydrophobicContact CG2-CB 3.62Å; I80-R113 HydrophobicContact CG2-CG 4.32Å; E84-R113 IonicContact OE1-NE 3.65Å; V109-R113 HydrophobicContact CG1-CG 4.41Å; V109-R113 VanDerWaalsContact O-CG 3.26Å; V109-R113 WeakPolarHBondContact O-CG 3.38Å; V109-R113 PolarHBondContact O-N 3.42Å; I110-R113 PolarHBondContact O-N 3.48Å; R113-E116 IonicContact CZ-OE2 3.81Å; R113-E116 IonicContact NH1-OE2 2.76Å; R113-E116 PolarHBondContact NH1-OE2 3.4Å |
| 114 | V | 96.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.8 | -38.3 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | I77 I110 R111 T112 E116 L117 T124 | I77-V114 HydrophobicContact CD1-CG1 4.15Å; I77-V114 HydrophobicContact CG1-CG2 4.26Å; I77-V114 HydrophobicContact CG2-CG2 4.21Å; I110-V114 HydrophobicContact CG2-CG2 4.17Å; I110-V114 WeakPolarHBondContact O-CB 3.14Å; I110-V114 WeakPolarHBondContact O-CG2 3.44Å; I110-V114 PolarHBondContact O-N 2.84Å; R111-V114 PolarHBondContact O-N 3.49Å; T112-V114 VanDerWaalsContact C-N 3.33Å; T112-V114 PolarHBondContact O-N 3.35Å; V114-E116 VanDerWaalsContact C-N 3.32Å; V114-E116 PolarHBondContact O-N 2.96Å; V114-L117 WeakPolarHBondContact O-CB 3.39Å; V114-L117 PolarHBondContact O-N 3.05Å; V114-T124 HydrophobicContact CG1-CG2 4Å |
| 115 | K | 95.1 | Very high | 95.6 | Very high | 145 Ų | 145 | 62.4 Ų | 62.4 | 63% | 0.63 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.9 | -33.2 | 176.3 | -80.1 | -176.7 | 173.7 | -175.5 | 0 | 112.8 | R111 T112 L117 M118 | R111-K115 HydrophobicContact CG-CD 4.29Å; R111-K115 WeakPolarHBondContact O-CB 3.46Å; R111-K115 WeakPolarHBondContact O-CG 3.48Å; R111-K115 PolarHBondContact O-N 2.97Å; T112-K115 PolarHBondContact O-N 3.44Å; T112-K115 VanDerWaalsContact O-N 3.1Å; K115-L117 PolarHBondContact O-N 3.47Å; K115-M118 PolarHBondContact O-N 2.93Å |
| 116 | E | 96.4 | Very high | 95.6 | Very high | 102 Ų | 102 | 60 Ų | 60 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.8 | 174.4 | -73.3 | 168.1 | -176 | 0 | 0 | 113.2 | T112 R113 V114 M118 | T112-E116 WeakPolarHBondContact O-CG 3.25Å; T112-E116 PolarHBondContact O-N 3.17Å; R113-E116 IonicContact CZ-OE2 3.81Å; R113-E116 IonicContact NH1-OE2 2.76Å; R113-E116 PolarHBondContact NH1-OE2 3.4Å; V114-E116 VanDerWaalsContact C-N 3.32Å; V114-E116 PolarHBondContact O-N 2.96Å; E116-M118 PolarHBondContact O-N 3.43Å |
| 117 | L | 94.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 63.3 Ų | 63.3 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -8 | 174.5 | -54.9 | -179.9 | 0 | 0 | 0 | 113.2 | K70 P73 T76 I77 I80 V114 K115 I119 | K70-L117 PolarHBondContact NZ-O 3.33Å; P73-L117 HydrophobicContact CG-CD1 3.76Å; T76-L117 HydrophobicContact CG2-CD1 4.08Å; T76-L117 HydrophobicContact CG2-CD2 3.82Å; I77-L117 HydrophobicContact CD1-CD1 4.3Å; I77-L117 HydrophobicContact CG1-CD1 3.72Å; I80-L117 HydrophobicContact CD1-CD1 4.02Å; I80-L117 HydrophobicContact CD1-CD2 4.4Å; I80-L117 HydrophobicContact CD1-CG 4.4Å; V114-L117 WeakPolarHBondContact O-CB 3.39Å; V114-L117 PolarHBondContact O-N 3.05Å; K115-L117 PolarHBondContact O-N 3.47Å; L117-I119 VanDerWaalsContact C-N 3.31Å; L117-I119 HydrophobicContact CB-CD1 4.07Å; L117-I119 HydrophobicContact CB-CG1 3.85Å; L117-I119 HydrophobicContact CD1-CD1 4.35Å; L117-I119 PolarHBondContact O-N 2.91Å |
| 118 | M | 92.2 | Very high | 95.6 | Very high | 159 Ų | 159 | 63 Ų | 63 | 78% | 0.783 | 31% | 0.309 | S | S | * | . | trans | 44.5 | 55.2 | 176.9 | -63 | -174.7 | 179 | 0 | 0 | 111.5 | K115 E116 P120 | K115-M118 PolarHBondContact O-N 2.93Å; E116-M118 PolarHBondContact O-N 3.43Å; M118-P120 VanDerWaalsContact O-CD 3.26Å; M118-P120 WeakPolarHBondContact O-CD 3.37Å | ||
| 119 | I | 90.8 | Very high | 95.5 | Very high | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | trans | -82.9 | 108.4 | -178.8 | -49.1 | 156.6 | 0 | 0 | 0 | 107.2 | F72 P73 I77 L117 Y122 | F72-I119 HydrophobicContact CD2-CD1 3.9Å; F72-I119 HydrophobicContact CD2-CG2 4.46Å; F72-I119 HydrophobicContact CE2-CD1 3.85Å; P73-I119 HydrophobicContact CG-CD1 3.71Å; P73-I119 HydrophobicContact CG-CG1 4.11Å; I77-I119 HydrophobicContact CD1-CD1 4.34Å; L117-I119 VanDerWaalsContact C-N 3.31Å; L117-I119 HydrophobicContact CB-CD1 4.07Å; L117-I119 HydrophobicContact CB-CG1 3.85Å; L117-I119 HydrophobicContact CD1-CD1 4.35Å; L117-I119 PolarHBondContact O-N 2.91Å; I119-Y122 HydrophobicContact CG2-CD2 3.49Å; I119-Y122 VanDerWaalsContact CG2-CD2 3.49Å; I119-Y122 HydrophobicContact CG2-CE2 4.13Å; I119-Y122 HydrophobicContact CG2-CG 4.06Å | ||
| 120 | P | 89.6 | Confident | 95.5 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 146.1 | -175.1 | 30.2 | -35.1 | 0 | 0 | 0 | 110.2 | K70 M118 Y122 | K70-P120 HydrophobicContact CB-CG 4.38Å; M118-P120 VanDerWaalsContact O-CD 3.26Å; M118-P120 WeakPolarHBondContact O-CD 3.37Å; P120-Y122 WeakPolarHBondContact O-CD2 3.42Å; P120-Y122 PolarHBondContact O-N 2.98Å |
| 121 | R | 90.3 | Very high | 95.4 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 15% | 0.151 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 27.1 | 171.7 | -56.5 | -167.6 | 77.9 | 179.1 | 33.8 | 115.5 | Y173 F174 E175 | R121-Y173 HydrophobicContact CB-CD2 4.14Å; R121-Y173 HydrophobicContact CB-CE2 3.63Å; R121-Y173 PolarHBondContact NH1-OH 2.78Å; R121-Y173 WeakPolarHBondContact O-CA 3.41Å; R121-Y173 VanDerWaalsContact O-CD2 3.26Å; R121-Y173 WeakPolarHBondContact O-CD2 3.42Å; R121-F174 WeakPolarHBondContact CB-O 3.42Å; R121-F174 PolarHBondContact NE-O 2.93Å; R121-F174 PolarHBondContact O-N 3.21Å; R121-E175 IonicContact CZ-OE1 3.19Å; R121-E175 IonicContact NH1-OE1 2.75Å; R121-E175 PolarHBondContact NH1-OE1 2.98Å; R121-E175 IonicContact NH1-OE2 3.64Å; R121-E175 IonicContact NH2-OE1 2.72Å; R121-E175 PolarHBondContact NH2-OE1 3.33Å; R121-E175 PolarHBondContact NH2-OXT 3.42Å |
| 122 | Y | 93.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 9% | 0.09 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.9 | 171.5 | -85.1 | -89.8 | 0 | 0 | 0 | 111 | P68 F72 I119 P120 F150 I172 Y173 | P68-Y122 HydrophobicContact CB-CE2 4.15Å; F72-Y122 HydrophobicContact CB-CD1 4.43Å; F72-Y122 HydrophobicContact CB-CE1 3.99Å; F72-Y122 AromaticContact CD2-CD1 3.73Å; F72-Y122 HydrophobicContact CD2-CD1 3.73Å; F72-Y122 HydrophobicContact CD2-CE1 4.14Å; F72-Y122 AromaticContact CD2-CG 3.98Å; F72-Y122 HydrophobicContact CD2-CG 3.98Å; F72-Y122 HydrophobicContact CE2-CD1 4.44Å; F72-Y122 HydrophobicContact CG-CD1 4.44Å; F72-Y122 HydrophobicContact CG-CE1 4.43Å; I119-Y122 HydrophobicContact CG2-CD2 3.49Å; I119-Y122 VanDerWaalsContact CG2-CD2 3.49Å; I119-Y122 HydrophobicContact CG2-CE2 4.13Å; I119-Y122 HydrophobicContact CG2-CG 4.06Å; P120-Y122 WeakPolarHBondContact O-CD2 3.42Å; P120-Y122 PolarHBondContact O-N 2.98Å; Y122-F150 WeakPolarHBondContact CE1-O 3.42Å; Y122-F150 PolarHBondContact OH-O 3.01Å; Y122-I172 CarbonylContact C-O 3.54Å; Y122-I172 WeakPolarHBondContact CA-O 3.32Å; Y122-Y173 HydrophobicContact CD2-CD2 4.1Å; Y122-Y173 HydrophobicContact CE1-CD2 4.46Å; Y122-Y173 AromaticContact CE2-CD2 3.74Å; Y122-Y173 HydrophobicContact CE2-CD2 3.74Å; Y122-Y173 HydrophobicContact CE2-CE2 4.49Å; Y122-Y173 AromaticContact CZ-CD2 3.94Å |
| 123 | K | 94.4 | Very high | 95.3 | Very high | 125 Ų | 125 | 61.6 Ų | 61.6 | 54% | 0.543 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.9 | 163 | -69.5 | 176.5 | -177.7 | 170.8 | 0 | 108.2 | I172 F174 | K123-I172 PolarHBondContact N-O 2.97Å; K123-I172 PolarHBondContact O-N 2.76Å; K123-F174 HydrophobicContact CD-CB 4.12Å; K123-F174 HydrophobicContact CD-CD1 4.48Å; K123-F174 HydrophobicContact CD-CG 4.32Å; K123-F174 HydrophobicContact CG-CB 4.2Å; K123-F174 HydrophobicContact CG-CD1 3.95Å; K123-F174 HydrophobicContact CG-CG 4.25Å |
| 124 | T | 95.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 63.2 Ų | 63.2 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129 | -179.1 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | V114 I126 V169 Y170 | V114-T124 HydrophobicContact CG1-CG2 4Å; T124-I126 HydrophobicContact CG2-CD1 4.33Å; T124-I126 HydrophobicContact CG2-CG1 4.05Å; T124-V169 HydrophobicContact CG2-CG1 3.6Å; T124-Y170 WeakPolarHBondContact CA-O 3.19Å |
| 125 | V | 96.8 | Very high | 94.8 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.5 | 172.2 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V169 Y170 I172 | V125-V169 CarbonylContact O-C 3.57Å; V125-V169 WeakPolarHBondContact O-CA 3.49Å; V125-Y170 HydrophobicContact CB-CD2 4.28Å; V125-Y170 HydrophobicContact CG1-CD2 4.39Å; V125-Y170 PolarHBondContact N-O 3.37Å; V125-Y170 PolarHBondContact O-N 2.77Å; V125-I172 HydrophobicContact CG2-CD1 4Å |
| 126 | I | 97.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.6 | -177.9 | -60.3 | 165.5 | 0 | 0 | 0 | 108.2 | I110 R111 T124 V128 T168 V169 | I110-I126 HydrophobicContact CB-CD1 4.43Å; I110-I126 HydrophobicContact CG2-CD1 3.94Å; I110-I126 HydrophobicContact CG2-CG1 4.45Å; I110-I126 HydrophobicContact CG2-CG2 4.26Å; R111-I126 HydrophobicContact CB-CD1 3.52Å; R111-I126 HydrophobicContact CG-CD1 4.03Å; T124-I126 HydrophobicContact CG2-CD1 4.33Å; T124-I126 HydrophobicContact CG2-CG1 4.05Å; I126-V128 HydrophobicContact CG2-CG2 4.06Å; I126-T168 WeakPolarHBondContact CA-O 3.41Å; I126-V169 HydrophobicContact CG1-CG1 4.25Å; I126-V169 HydrophobicContact CG1-CG2 4.21Å |
| 127 | L | 97.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 63.9 Ų | 63.9 | 36% | 0.356 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.6 | 177 | -175.6 | 63.8 | 0 | 0 | 0 | 108.6 | H129 A167 T168 | L127-H129 VanDerWaalsContact CD2-NE2 3.28Å; L127-H129 WeakPolarHBondContact CD2-NE2 3.4Å; L127-H129 VanDerWaalsContact CG-NE2 3.34Å; L127-H129 WeakPolarHBondContact CG-NE2 3.41Å; L127-A167 CarbonylContact O-C 3.56Å; L127-A167 VanDerWaalsContact O-CA 3.3Å; L127-A167 WeakPolarHBondContact O-CA 3.34Å; L127-T168 PolarHBondContact N-O 2.84Å; L127-T168 PolarHBondContact O-N 2.74Å |
| 128 | V | 98 | Very high | 94.2 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | T103 C107 I110 I126 I130 S166 A167 | T103-V128 HydrophobicContact CG2-CB 4.02Å; T103-V128 HydrophobicContact CG2-CG1 4.07Å; T103-V128 WeakPolarHBondContact CG2-O 3.38Å; C107-V128 WeakPolarHBondContact SG-CG2 3.22Å; I110-V128 HydrophobicContact CD1-CG2 4.22Å; I126-V128 HydrophobicContact CG2-CG2 4.06Å; V128-I130 HydrophobicContact CG1-CG1 4.28Å; V128-S166 CarbonylContact C-O 3.57Å; V128-S166 WeakPolarHBondContact CA-O 3.37Å; V128-A167 HydrophobicContact CG2-CB 3.99Å |
| 129 | H | 97.3 | Very high | 94.3 | Very high | 60 Ų | 60 | 67.9 Ų | 67.9 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 119.3 | 175.5 | -61.5 | -72.7 | 0 | 0 | 0 | 109 | L127 I140 C165 S166 | L127-H129 VanDerWaalsContact CD2-NE2 3.28Å; L127-H129 WeakPolarHBondContact CD2-NE2 3.4Å; L127-H129 VanDerWaalsContact CG-NE2 3.34Å; L127-H129 WeakPolarHBondContact CG-NE2 3.41Å; H129-I140 HydrophobicContact CB-CD1 4.37Å; H129-I140 VanDerWaalsContact CD2-CD1 3.47Å; H129-I140 WeakPolarHBondContact CD2-CD1 3.48Å; H129-C165 CarbonylContact O-C 3.56Å; H129-C165 WeakPolarHBondContact O-CA 3.25Å; H129-S166 PolarHBondContact N-O 3.26Å; H129-S166 PolarHBondContact O-N 3.19Å |
| 130 | I | 97.4 | Very high | 94.4 | Very high | 26 Ų | 26 | 70.2 Ų | 70.2 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135 | 168.8 | -57 | -179.7 | 0 | 0 | 0 | 107.9 | L89 M102 T103 L106 V128 L163 F164 C165 | L89-I130 HydrophobicContact CD1-CD1 4.24Å; L89-I130 HydrophobicContact CD1-CG1 4.5Å; L89-I130 HydrophobicContact CD2-CD1 4.19Å; M102-I130 HydrophobicContact CB-CD1 4.23Å; M102-I130 HydrophobicContact CG-CD1 4.01Å; T103-I130 WeakPolarHBondContact OG1-CD1 3.5Å; T103-I130 WeakPolarHBondContact OG1-CG1 3.18Å; L106-I130 HydrophobicContact CD1-CD1 4.07Å; V128-I130 HydrophobicContact CG1-CG1 4.28Å; I130-L163 HydrophobicContact CG2-CD2 4.26Å; I130-F164 WeakPolarHBondContact CA-O 3.37Å; I130-C165 HydrophobicContact CG1-CB 4.37Å |
| 131 | G | 96.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 9% | 0.093 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 160 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L163 F164 | G131-L163 CarbonylContact O-C 3.48Å; G131-L163 WeakPolarHBondContact O-CA 3.34Å; G131-L163 VanDerWaalsContact O-CB 3.28Å; G131-L163 WeakPolarHBondContact O-CB 3.16Å; G131-F164 VanDerWaalsContact C-CE1 3.5Å; G131-F164 VanDerWaalsContact CA-CE1 3.47Å; G131-F164 PolarHBondContact N-O 2.79Å; G131-F164 VanDerWaalsContact N-O 3.09Å; G131-F164 VanDerWaalsContact O-CD1 3.26Å; G131-F164 WeakPolarHBondContact O-CD1 3.32Å; G131-F164 PolarHBondContact O-N 2.75Å |
| 132 | Q | 97 | Very high | 94.7 | Very high | 83 Ų | 83 | 72.7 Ų | 72.7 | 39% | 0.388 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 145.7 | 179.1 | -164.1 | 178 | 3.7 | 0 | 0 | 111.3 | Y94 N134 Q136 | Y94-Q132 HydrophobicContact CD1-CB 3.57Å; Y94-Q132 HydrophobicContact CD1-CG 3.59Å; Y94-Q132 HydrophobicContact CD2-CB 4.09Å; Y94-Q132 HydrophobicContact CE1-CB 3.62Å; Y94-Q132 HydrophobicContact CE1-CG 4.07Å; Y94-Q132 HydrophobicContact CE2-CB 4.13Å; Y94-Q132 VanDerWaalsContact CE2-N 3.29Å; Y94-Q132 HydrophobicContact CG-CB 3.8Å; Y94-Q132 HydrophobicContact CG-CG 3.92Å; Q132-N134 HydrophobicContact CG-CB 4.26Å; Q132-Q136 PolarHBondContact O-NE2 3.21Å |
| 133 | L | 95.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 82.9 Ų | 82.9 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | trans | -99 | 93.9 | 170.4 | -167.1 | 72 | 0 | 0 | 0 | 109.4 | N160 S162 | L133-N160 WeakPolarHBondContact CD2-O 3.31Å; L133-S162 PolarHBondContact N-O 3.48Å | ||
| 134 | N | 94.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 80.2 Ų | 80.2 | 64% | 0.642 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -134.5 | 32.5 | -176.4 | -166.5 | 33.2 | 0 | 0 | 0 | 112.4 | Q132 Q136 | Q132-N134 HydrophobicContact CG-CB 4.26Å; N134-Q136 VanDerWaalsContact C-N 3.34Å; N134-Q136 VanDerWaalsContact CB-OE1 3.3Å; N134-Q136 PolarHBondContact O-N 2.94Å; N134-Q136 PolarHBondContact O-OE1 2.87Å |
| 135 | G | 90.6 | Very high | 94.6 | Very high | 84 Ų | 84 | 86.6 Ų | 86.6 | 87% | 0.866 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 81.9 | 2.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 136 | Q | 92.2 | Very high | 94.5 | Very high | 100 Ų | 100 | 87.2 Ų | 87.2 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | trans | -79.8 | 153.9 | 171.1 | 71.6 | -84.2 | 38.2 | 0 | 0 | 112.6 | Q132 N134 | Q132-Q136 PolarHBondContact O-NE2 3.21Å; N134-Q136 VanDerWaalsContact C-N 3.34Å; N134-Q136 VanDerWaalsContact CB-OE1 3.3Å; N134-Q136 PolarHBondContact O-N 2.94Å; N134-Q136 PolarHBondContact O-OE1 2.87Å | ||
| 137 | G | 90.3 | Very high | 94.2 | Very high | 78 Ų | 78 | 89 Ų | 89 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | trans | -101.5 | 146.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 138 | M | 91.1 | Very high | 93.9 | Very high | 100 Ų | 100 | 90.9 Ų | 90.9 | 49% | 0.493 | 51% | 0.507 | S | S | . | . | trans | -136.1 | 135.2 | 172.6 | -171.5 | -176.9 | 67.6 | 0 | 0 | 109.7 | I140 F164 | M138-I140 HydrophobicContact CE-CD1 3.41Å; M138-I140 VanDerWaalsContact CE-CD1 3.41Å; M138-I140 HydrophobicContact CE-CG1 3.85Å; M138-I140 HydrophobicContact SD-CD1 4.4Å; M138-I140 HydrophobicContact SD-CG1 4.38Å; M138-F164 HydrophobicContact CE-CD2 3.93Å; M138-F164 HydrophobicContact CE-CE2 3.1Å; M138-F164 HydrophobicContact CE-CZ 3.48Å; M138-F164 VanDerWaalsContact CE-CZ 3.48Å; M138-F164 HydrophobicContact SD-CE2 3.82Å; M138-F164 HydrophobicContact SD-CZ 3.59Å; M138-F164 VanDerWaalsContact SD-CZ 3.59Å | ||
| 139 | Q | 93.4 | Very high | 93.6 | Very high | 182 Ų | 182 | 95.8 Ų | 95.8 | 85% | 0.85 | 53% | 0.533 | S | S | * | . | trans | -121.9 | 125 | 173.6 | -176.5 | 178.4 | -10.5 | 0 | 0 | 109.2 | ||||
| 140 | I | 93.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 95.2 Ų | 95.2 | 37% | 0.369 | 53% | 0.529 | S | S | . | . | trans | -107.8 | 130.5 | 175.3 | -60.9 | 163.1 | 0 | 0 | 0 | 108.1 | H129 M138 | H129-I140 HydrophobicContact CB-CD1 4.37Å; H129-I140 VanDerWaalsContact CD2-CD1 3.47Å; H129-I140 WeakPolarHBondContact CD2-CD1 3.48Å; M138-I140 HydrophobicContact CE-CD1 3.41Å; M138-I140 VanDerWaalsContact CE-CD1 3.41Å; M138-I140 HydrophobicContact CE-CG1 3.85Å; M138-I140 HydrophobicContact SD-CD1 4.4Å; M138-I140 HydrophobicContact SD-CG1 4.38Å | ||
| 141 | S | 93.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 94.9 Ų | 94.9 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | trans | -137.8 | 135 | 172.2 | 64.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 142 | S | 92.5 | Very high | 93.2 | Very high | 58 Ų | 58 | 95.9 Ų | 95.9 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | trans | -113.6 | 146.3 | 170.8 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | Y170 | S142-Y170 WeakPolarHBondContact CB-OH 3.26Å; S142-Y170 PolarHBondContact OG-OH 3.36Å | ||
| 143 | R | 94.2 | Very high | 93.2 | Very high | 237 Ų | 237 | 96.6 Ų | 96.6 | 89% | 0.894 | 53% | 0.534 | S | S | * | . | trans | -128.2 | 125.5 | 174 | -64.5 | -67 | -168.5 | 160.2 | 2.1 | 107 | ||||
| 144 | C | 92 | Very high | 93.4 | Very high | 69 Ų | 69 | 93.2 Ų | 93.2 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | trans | -128.6 | 142.2 | -176.3 | -59.4 | 0 | 0 | 0 | 0 | 109.3 | W146 | C144-W146 HydrophobicContact CB-CB 4.32Å; C144-W146 HydrophobicContact CB-CD2 3.95Å; C144-W146 HydrophobicContact CB-CE3 4.19Å; C144-W146 HydrophobicContact CB-CG 4.02Å | ||
| 145 | L | 94.3 | Very high | 93.5 | Very high | 186 Ų | 186 | 90.1 Ų | 90.1 | 97% | 0.974 | 51% | 0.505 | S | S | * | . | trans | -100.2 | 108.1 | 160.9 | 179.9 | 66.6 | 0 | 0 | 0 | 105.9 | ||||
| 146 | W | 94.6 | Very high | 93.8 | Very high | 89 Ų | 89 | 88 Ų | 88 | 34% | 0.337 | 47% | 0.472 | S | S | . | . | trans | -150.5 | 163.9 | -167.8 | 69.1 | -6.7 | 0 | 0 | 0 | 111.1 | C144 D151 F153 Y170 | C144-W146 HydrophobicContact CB-CB 4.32Å; C144-W146 HydrophobicContact CB-CD2 3.95Å; C144-W146 HydrophobicContact CB-CE3 4.19Å; C144-W146 HydrophobicContact CB-CG 4.02Å; W146-D151 WeakPolarHBondContact CA-OD2 3.26Å; W146-D151 HydrophobicContact CB-CB 3.75Å; W146-D151 VanDerWaalsContact CB-OD2 3.27Å; W146-D151 WeakPolarHBondContact CB-OD2 3.32Å; W146-D151 HydrophobicContact CD2-CB 3.78Å; W146-D151 HydrophobicContact CE3-CB 3.53Å; W146-D151 HydrophobicContact CG-CB 3.92Å; W146-D151 HydrophobicContact CZ3-CB 4.37Å; W146-F153 HydrophobicContact CH2-CB 4.08Å; W146-F153 AromaticContact CH2-CD1 3.52Å; W146-F153 HydrophobicContact CH2-CD1 3.52Å; W146-F153 HydrophobicContact CH2-CE1 4.28Å; W146-F153 HydrophobicContact CH2-CG 4.12Å; W146-F153 HydrophobicContact CZ2-CD1 4.23Å; W146-F153 HydrophobicContact CZ3-CB 4.31Å; W146-Y170 HydrophobicContact CZ3-CD1 4.19Å | ||
| 147 | D | 92.3 | Very high | 94.1 | Very high | 61 Ų | 61 | 87.2 Ų | 87.2 | 33% | 0.326 | 48% | 0.477 | S | S | . | . | trans | -73.2 | 118.4 | 175.9 | -171 | -54.1 | 0 | 0 | 0 | 109.8 | N149 F150 D151 | D147-N149 PolarHBondContact O-N 2.78Å; D147-N149 VanDerWaalsContact O-N 3.16Å; D147-N149 WeakPolarHBondContact OD1-CA 3.33Å; D147-N149 VanDerWaalsContact OD1-CB 3.25Å; D147-N149 WeakPolarHBondContact OD1-CB 3.4Å; D147-N149 PolarHBondContact OD1-N 3.25Å; D147-N149 PolarHBondContact OD1-ND2 2.93Å; D147-N149 VanDerWaalsContact OD1-ND2 3.08Å; D147-F150 HydrophobicContact CB-CD2 4.44Å; D147-F150 PolarHBondContact O-N 2.85Å; D147-F150 PolarHBondContact OD1-N 2.83Å; D147-F150 WeakPolarHBondContact OD2-CD2 3.37Å; D147-D151 PolarHBondContact N-OD2 3.2Å; D147-D151 WeakPolarHBondContact O-CB 3.48Å; D147-D151 PolarHBondContact O-N 3.12Å | ||
| 148 | P | 92.1 | Very high | 94.4 | Very high | 109 Ų | 109 | 85.2 Ų | 85.2 | 71% | 0.708 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.9 | -175.9 | 30.2 | -36.5 | 0 | 0 | 0 | 114.1 | ||
| 149 | N | 90.9 | Very high | 94.6 | Very high | 114 Ų | 114 | 88.3 Ų | 88.3 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -35.4 | -178.6 | -49.8 | -66.5 | 0 | 0 | 0 | 111.8 | D147 | D147-N149 PolarHBondContact O-N 2.78Å; D147-N149 VanDerWaalsContact O-N 3.16Å; D147-N149 WeakPolarHBondContact OD1-CA 3.33Å; D147-N149 VanDerWaalsContact OD1-CB 3.25Å; D147-N149 WeakPolarHBondContact OD1-CB 3.4Å; D147-N149 PolarHBondContact OD1-N 3.25Å; D147-N149 PolarHBondContact OD1-ND2 2.93Å; D147-N149 VanDerWaalsContact OD1-ND2 3.08Å |
| 150 | F | 91.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 80.9 Ų | 80.9 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -31.1 | -168.3 | -50.6 | -49.5 | 0 | 0 | 0 | 113.7 | T66 P68 Y122 D147 Y173 | T66-F150 WeakPolarHBondContact O-CZ 3.44Å; P68-F150 HydrophobicContact CG-CD1 3.58Å; P68-F150 HydrophobicContact CG-CE1 4.06Å; P68-F150 HydrophobicContact CG-CG 4.23Å; Y122-F150 WeakPolarHBondContact CE1-O 3.42Å; Y122-F150 PolarHBondContact OH-O 3.01Å; D147-F150 HydrophobicContact CB-CD2 4.44Å; D147-F150 PolarHBondContact O-N 2.85Å; D147-F150 PolarHBondContact OD1-N 2.83Å; D147-F150 WeakPolarHBondContact OD2-CD2 3.37Å; F150-Y173 HydrophobicContact CB-CD1 4.16Å; F150-Y173 HydrophobicContact CB-CG 4Å; F150-Y173 HydrophobicContact CD2-CD1 4.25Å; F150-Y173 HydrophobicContact CG-CD1 4.36Å |
| 151 | D | 95.1 | Very high | 94.9 | Very high | 19 Ų | 19 | 83.1 Ų | 83.1 | 10% | 0.102 | 44% | 0.441 | C | S | . | . | trans | -84.9 | 138.9 | 177.2 | -59.8 | -30.7 | 0 | 0 | 0 | 110.2 | W146 D147 G171 I172 Y173 | W146-D151 WeakPolarHBondContact CA-OD2 3.26Å; W146-D151 HydrophobicContact CB-CB 3.75Å; W146-D151 VanDerWaalsContact CB-OD2 3.27Å; W146-D151 WeakPolarHBondContact CB-OD2 3.32Å; W146-D151 HydrophobicContact CD2-CB 3.78Å; W146-D151 HydrophobicContact CE3-CB 3.53Å; W146-D151 HydrophobicContact CG-CB 3.92Å; W146-D151 HydrophobicContact CZ3-CB 4.37Å; D147-D151 PolarHBondContact N-OD2 3.2Å; D147-D151 WeakPolarHBondContact O-CB 3.48Å; D147-D151 PolarHBondContact O-N 3.12Å; D151-G171 WeakPolarHBondContact CA-O 3.47Å; D151-I172 VanDerWaalsContact OD1-CA 3.26Å; D151-I172 WeakPolarHBondContact OD1-CA 3.18Å; D151-Y173 PolarHBondContact OD1-N 2.93Å | ||
| 152 | T | 96.3 | Very high | 95 | Very high | 31 Ų | 31 | 79.6 Ų | 79.6 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 174.5 | -178 | -162.9 | 0 | 0 | 0 | 0 | 112.1 | F72 I74 Y170 G171 | F72-T152 HydrophobicContact CB-CG2 3.56Å; F72-T152 HydrophobicContact CD1-CG2 3.42Å; F72-T152 VanDerWaalsContact CD1-CG2 3.42Å; F72-T152 HydrophobicContact CE1-CG2 4.36Å; F72-T152 HydrophobicContact CG-CG2 3.78Å; I74-T152 HydrophobicContact CD1-CG2 4.19Å; I74-T152 WeakPolarHBondContact CD1-OG1 3.26Å; I74-T152 HydrophobicContact CG1-CG2 4.07Å; T152-Y170 WeakPolarHBondContact O-CA 3.38Å; T152-G171 PolarHBondContact N-O 2.63Å; T152-G171 PolarHBondContact O-N 3.42Å |
| 153 | F | 97.2 | Very high | 95.2 | Very high | 98 Ų | 98 | 76.8 Ų | 76.8 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 156.7 | 177.4 | 78.3 | -65.5 | 0 | 0 | 0 | 111.8 | W146 T168 V169 Y170 | W146-F153 HydrophobicContact CH2-CB 4.08Å; W146-F153 AromaticContact CH2-CD1 3.52Å; W146-F153 HydrophobicContact CH2-CD1 3.52Å; W146-F153 HydrophobicContact CH2-CE1 4.28Å; W146-F153 HydrophobicContact CH2-CG 4.12Å; W146-F153 HydrophobicContact CZ2-CD1 4.23Å; W146-F153 HydrophobicContact CZ3-CB 4.31Å; F153-T168 HydrophobicContact CD2-CG2 3.94Å; F153-V169 CarbonylContact C-O 3.5Å; F153-V169 WeakPolarHBondContact CA-O 3.48Å; F153-Y170 HydrophobicContact CB-CD1 3.62Å; F153-Y170 HydrophobicContact CB-CE1 3.93Å; F153-Y170 HydrophobicContact CB-CG 4.33Å; F153-Y170 HydrophobicContact CG-CE1 4.43Å |
| 154 | V | 97.7 | Very high | 95.4 | Very high | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.055 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.7 | 173.2 | -169.2 | 0 | 0 | 0 | 0 | 108 | I74 I77 L81 T168 V169 | I74-V154 HydrophobicContact CB-CG2 4.11Å; I74-V154 HydrophobicContact CG1-CG2 4.11Å; I74-V154 HydrophobicContact CG2-CG2 3.89Å; I77-V154 HydrophobicContact CB-CG2 4.27Å; I77-V154 HydrophobicContact CG2-CB 4.14Å; I77-V154 HydrophobicContact CG2-CG1 4.48Å; I77-V154 HydrophobicContact CG2-CG2 4.13Å; L81-V154 HydrophobicContact CD1-CB 4.39Å; L81-V154 HydrophobicContact CD1-CG1 4.09Å; V154-T168 CarbonylContact O-C 3.49Å; V154-T168 WeakPolarHBondContact O-CA 3.26Å; V154-V169 PolarHBondContact N-O 2.98Å; V154-V169 PolarHBondContact O-N 3.19Å |
| 155 | S | 97.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 64.2 Ų | 64.2 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.4 | 177.1 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | A167 T168 | S155-A167 CarbonylContact C-O 3.6Å; S155-A167 VanDerWaalsContact CA-O 3.29Å; S155-A167 WeakPolarHBondContact CA-O 3.49Å; S155-A167 PolarHBondContact OG-O 2.95Å; S155-T168 PolarHBondContact OG-OG1 3.24Å; S155-T168 VanDerWaalsContact OG-OG1 3.13Å |
| 156 | H | 97.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 56 Ų | 56 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.3 | 172.6 | -170.5 | 64.6 | 0 | 0 | 0 | 110 | L81 I85 A167 | L81-H156 HydrophobicContact CB-CB 3.77Å; L81-H156 HydrophobicContact CD1-CB 4.06Å; I85-H156 HydrophobicContact CD1-CB 4.38Å; H156-A167 PolarHBondContact N-O 3.23Å; H156-A167 PolarHBondContact O-N 3.18Å |
| 157 | S | 96.9 | Very high | 96 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 57% | 0.573 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.6 | 177.3 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | C165 S166 | S157-C165 CarbonylContact C-O 3.53Å; S157-C165 WeakPolarHBondContact CA-O 3.26Å; S157-S166 PolarHBondContact OG-OG 3.22Å |
| 158 | F | 97.4 | Very high | 96.2 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.4 | -177 | 173.1 | -95 | 0 | 0 | 0 | 109.8 | I85 T86 L89 N160 L163 F164 C165 | I85-F158 HydrophobicContact CG2-CB 3.45Å; I85-F158 VanDerWaalsContact CG2-CB 3.45Å; I85-F158 HydrophobicContact CG2-CD1 4.18Å; I85-F158 HydrophobicContact CG2-CG 3.85Å; T86-F158 HydrophobicContact CG2-CE2 4.49Å; L89-F158 HydrophobicContact CB-CD1 4.02Å; L89-F158 HydrophobicContact CB-CE1 3.75Å; L89-F158 HydrophobicContact CD1-CD1 4.41Å; F158-N160 HydrophobicContact CE1-CB 3.88Å; F158-N160 HydrophobicContact CZ-CB 3.95Å; F158-L163 HydrophobicContact CE1-CD1 4.49Å; F158-F164 WeakPolarHBondContact O-CA 3.37Å; F158-C165 HydrophobicContact CB-CB 4.4Å; F158-C165 PolarHBondContact N-O 2.88Å; F158-C165 PolarHBondContact O-N 3.28Å |
| 159 | K | 96.1 | Very high | 96.5 | Very high | 164 Ų | 164 | 44 Ų | 44 | 71% | 0.713 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.5 | 172.9 | 64.1 | 178.8 | -176.6 | 176.8 | 0 | 110 | ||
| 160 | N | 95.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | trans | -121.1 | -156.1 | 166.5 | 71.9 | 14.5 | 0 | 0 | 0 | 109.4 | L89 M92 L133 F158 S162 L163 | L89-N160 PolarHBondContact O-ND2 2.76Å; M92-N160 PolarHBondContact O-ND2 2.94Å; L133-N160 WeakPolarHBondContact CD2-O 3.31Å; F158-N160 HydrophobicContact CE1-CB 3.88Å; F158-N160 HydrophobicContact CZ-CB 3.95Å; N160-S162 PolarHBondContact OD1-N 3.23Å; N160-L163 PolarHBondContact N-O 3.1Å; N160-L163 WeakPolarHBondContact OD1-CG 3.21Å; N160-L163 PolarHBondContact OD1-N 2.89Å; N160-L163 PolarHBondContact OD1-O 2.72Å | ||
| 161 | T | 96 | Very high | 97.1 | Very high | 119 Ų | 119 | 37.4 Ų | 37.4 | 73% | 0.73 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -74.7 | -24.3 | -178.3 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 162 | S | 97 | Very high | 97.1 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -126.4 | -16.5 | -173.9 | 64.7 | 0 | 0 | 0 | 0 | 115.7 | Q93 Y94 L133 N160 | Q93-S162 WeakPolarHBondContact CA-OG 3.41Å; Q93-S162 PolarHBondContact OE1-OG 3.47Å; Y94-S162 PolarHBondContact N-OG 2.98Å; L133-S162 PolarHBondContact N-O 3.48Å; N160-S162 PolarHBondContact OD1-N 3.23Å |
| 163 | L | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 162.8 | 179.4 | 60.1 | 79.5 | 0 | 0 | 0 | 113.1 | L89 M92 Y94 I130 G131 F158 N160 | L89-L163 HydrophobicContact CB-CD1 4.33Å; L89-L163 HydrophobicContact CD1-CD1 4.25Å; M92-L163 HydrophobicContact CB-CD2 4.5Å; M92-L163 HydrophobicContact CE-CD2 4.4Å; M92-L163 HydrophobicContact CG-CD2 4.13Å; M92-L163 HydrophobicContact SD-CD2 4.37Å; Y94-L163 HydrophobicContact CD2-CB 4.01Å; Y94-L163 HydrophobicContact CG-CB 4.48Å; I130-L163 HydrophobicContact CG2-CD2 4.26Å; G131-L163 CarbonylContact O-C 3.48Å; G131-L163 WeakPolarHBondContact O-CA 3.34Å; G131-L163 VanDerWaalsContact O-CB 3.28Å; G131-L163 WeakPolarHBondContact O-CB 3.16Å; F158-L163 HydrophobicContact CE1-CD1 4.49Å; N160-L163 PolarHBondContact N-O 3.1Å; N160-L163 WeakPolarHBondContact OD1-CG 3.21Å; N160-L163 PolarHBondContact OD1-N 2.89Å; N160-L163 PolarHBondContact OD1-O 2.72Å |
| 164 | F | 96.8 | Very high | 96.4 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 18% | 0.18 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 156.7 | 162.7 | 71.9 | -95.4 | 0 | 0 | 0 | 109.8 | I130 G131 M138 F158 | I130-F164 WeakPolarHBondContact CA-O 3.37Å; G131-F164 VanDerWaalsContact C-CE1 3.5Å; G131-F164 VanDerWaalsContact CA-CE1 3.47Å; G131-F164 PolarHBondContact N-O 2.79Å; G131-F164 VanDerWaalsContact N-O 3.09Å; G131-F164 VanDerWaalsContact O-CD1 3.26Å; G131-F164 WeakPolarHBondContact O-CD1 3.32Å; G131-F164 PolarHBondContact O-N 2.75Å; M138-F164 HydrophobicContact CE-CD2 3.93Å; M138-F164 HydrophobicContact CE-CE2 3.1Å; M138-F164 HydrophobicContact CE-CZ 3.48Å; M138-F164 VanDerWaalsContact CE-CZ 3.48Å; M138-F164 HydrophobicContact SD-CE2 3.82Å; M138-F164 HydrophobicContact SD-CZ 3.59Å; M138-F164 VanDerWaalsContact SD-CZ 3.59Å; F158-F164 WeakPolarHBondContact O-CA 3.37Å |
| 165 | C | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.6 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | I85 L89 H129 I130 S157 F158 | I85-C165 HydrophobicContact CG2-CB 4.12Å; L89-C165 HydrophobicContact CD1-CB 3.3Å; H129-C165 CarbonylContact O-C 3.56Å; H129-C165 WeakPolarHBondContact O-CA 3.25Å; I130-C165 HydrophobicContact CG1-CB 4.37Å; S157-C165 CarbonylContact C-O 3.53Å; S157-C165 WeakPolarHBondContact CA-O 3.26Å; F158-C165 HydrophobicContact CB-CB 4.4Å; F158-C165 PolarHBondContact N-O 2.88Å; F158-C165 PolarHBondContact O-N 3.28Å |
| 166 | S | 97.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.5 | 169.6 | -170.1 | 0 | 0 | 0 | 0 | 109 | V128 H129 S157 | V128-S166 CarbonylContact C-O 3.57Å; V128-S166 WeakPolarHBondContact CA-O 3.37Å; H129-S166 PolarHBondContact N-O 3.26Å; H129-S166 PolarHBondContact O-N 3.19Å; S157-S166 PolarHBondContact OG-OG 3.22Å |
| 167 | A | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L81 I85 I110 L127 V128 S155 H156 | L81-A167 HydrophobicContact CD2-CB 4.03Å; I85-A167 HydrophobicContact CD1-CB 3.42Å; I85-A167 VanDerWaalsContact CD1-CB 3.42Å; I85-A167 HydrophobicContact CG1-CB 4.5Å; I110-A167 HydrophobicContact CD1-CB 4.45Å; L127-A167 CarbonylContact O-C 3.56Å; L127-A167 VanDerWaalsContact O-CA 3.3Å; L127-A167 WeakPolarHBondContact O-CA 3.34Å; V128-A167 HydrophobicContact CG2-CB 3.99Å; S155-A167 CarbonylContact C-O 3.6Å; S155-A167 VanDerWaalsContact CA-O 3.29Å; S155-A167 WeakPolarHBondContact CA-O 3.49Å; S155-A167 PolarHBondContact OG-O 2.95Å; H156-A167 PolarHBondContact N-O 3.23Å; H156-A167 PolarHBondContact O-N 3.18Å |
| 168 | T | 98.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.6 | 177.3 | -53.5 | 0 | 0 | 0 | 0 | 110.1 | I126 L127 F153 V154 S155 Y170 | I126-T168 WeakPolarHBondContact CA-O 3.41Å; L127-T168 PolarHBondContact N-O 2.84Å; L127-T168 PolarHBondContact O-N 2.74Å; F153-T168 HydrophobicContact CD2-CG2 3.94Å; V154-T168 CarbonylContact O-C 3.49Å; V154-T168 WeakPolarHBondContact O-CA 3.26Å; S155-T168 PolarHBondContact OG-OG1 3.24Å; S155-T168 VanDerWaalsContact OG-OG1 3.13Å; T168-Y170 HydrophobicContact CG2-CD2 4.22Å; T168-Y170 HydrophobicContact CG2-CE1 4.13Å; T168-Y170 HydrophobicContact CG2-CE2 3.6Å |
| 169 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.4 | 176.2 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | F72 I77 L81 I110 T124 V125 I126 F153 V154 | F72-V169 HydrophobicContact CE1-CG1 4.4Å; F72-V169 HydrophobicContact CZ-CG1 4.02Å; I77-V169 HydrophobicContact CG2-CB 4.08Å; I77-V169 HydrophobicContact CG2-CG1 4.22Å; I77-V169 HydrophobicContact CG2-CG2 4.08Å; L81-V169 HydrophobicContact CD1-CG2 4.02Å; L81-V169 HydrophobicContact CD2-CG2 3.76Å; L81-V169 HydrophobicContact CG-CG2 4.18Å; I110-V169 HydrophobicContact CG2-CG2 3.97Å; T124-V169 HydrophobicContact CG2-CG1 3.6Å; V125-V169 CarbonylContact O-C 3.57Å; V125-V169 WeakPolarHBondContact O-CA 3.49Å; I126-V169 HydrophobicContact CG1-CG1 4.25Å; I126-V169 HydrophobicContact CG1-CG2 4.21Å; F153-V169 CarbonylContact C-O 3.5Å; F153-V169 WeakPolarHBondContact CA-O 3.48Å; V154-V169 PolarHBondContact N-O 2.98Å; V154-V169 PolarHBondContact O-N 3.19Å |
| 170 | Y | 97.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 35.2 Ų | 35.2 | 9% | 0.094 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.4 | 172.6 | -57.2 | -91.5 | 0 | 0 | 0 | 109 | T124 V125 S142 W146 T152 F153 T168 | T124-Y170 WeakPolarHBondContact CA-O 3.19Å; V125-Y170 HydrophobicContact CB-CD2 4.28Å; V125-Y170 HydrophobicContact CG1-CD2 4.39Å; V125-Y170 PolarHBondContact N-O 3.37Å; V125-Y170 PolarHBondContact O-N 2.77Å; S142-Y170 WeakPolarHBondContact CB-OH 3.26Å; S142-Y170 PolarHBondContact OG-OH 3.36Å; W146-Y170 HydrophobicContact CZ3-CD1 4.19Å; T152-Y170 WeakPolarHBondContact O-CA 3.38Å; F153-Y170 HydrophobicContact CB-CD1 3.62Å; F153-Y170 HydrophobicContact CB-CE1 3.93Å; F153-Y170 HydrophobicContact CB-CG 4.33Å; F153-Y170 HydrophobicContact CG-CE1 4.43Å; T168-Y170 HydrophobicContact CG2-CD2 4.22Å; T168-Y170 HydrophobicContact CG2-CE1 4.13Å; T168-Y170 HydrophobicContact CG2-CE2 3.6Å |
| 171 | G | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 114.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | F72 D151 T152 | F72-G171 VanDerWaalsContact CE2-CA 3.45Å; D151-G171 WeakPolarHBondContact CA-O 3.47Å; T152-G171 PolarHBondContact N-O 2.63Å; T152-G171 PolarHBondContact O-N 3.42Å |
| 172 | I | 95.7 | Very high | 94.5 | Very high | 65 Ų | 65 | 29.8 Ų | 29.8 | 33% | 0.333 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.9 | -179.4 | -57.7 | 153.4 | 0 | 0 | 0 | 107.8 | Y122 K123 V125 D151 | Y122-I172 CarbonylContact C-O 3.54Å; Y122-I172 WeakPolarHBondContact CA-O 3.32Å; K123-I172 PolarHBondContact N-O 2.97Å; K123-I172 PolarHBondContact O-N 2.76Å; V125-I172 HydrophobicContact CG2-CD1 4Å; D151-I172 VanDerWaalsContact OD1-CA 3.26Å; D151-I172 WeakPolarHBondContact OD1-CA 3.18Å |
| 173 | Y | 93.6 | Very high | 94.3 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 13% | 0.125 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 133.3 | 175.8 | -173.9 | -115.4 | 0 | 0 | 0 | 109.5 | P68 R121 Y122 F150 D151 | P68-Y173 HydrophobicContact CB-CD2 3.93Å; P68-Y173 HydrophobicContact CB-CE2 3.49Å; P68-Y173 VanDerWaalsContact CB-CE2 3.49Å; P68-Y173 HydrophobicContact CG-CD2 4.39Å; P68-Y173 HydrophobicContact CG-CE2 4.24Å; R121-Y173 HydrophobicContact CB-CD2 4.14Å; R121-Y173 HydrophobicContact CB-CE2 3.63Å; R121-Y173 PolarHBondContact NH1-OH 2.78Å; R121-Y173 WeakPolarHBondContact O-CA 3.41Å; R121-Y173 VanDerWaalsContact O-CD2 3.26Å; R121-Y173 WeakPolarHBondContact O-CD2 3.42Å; Y122-Y173 HydrophobicContact CD2-CD2 4.1Å; Y122-Y173 HydrophobicContact CE1-CD2 4.46Å; Y122-Y173 AromaticContact CE2-CD2 3.74Å; Y122-Y173 HydrophobicContact CE2-CD2 3.74Å; Y122-Y173 HydrophobicContact CE2-CE2 4.49Å; Y122-Y173 AromaticContact CZ-CD2 3.94Å; F150-Y173 HydrophobicContact CB-CD1 4.16Å; F150-Y173 HydrophobicContact CB-CG 4Å; F150-Y173 HydrophobicContact CD2-CD1 4.25Å; F150-Y173 HydrophobicContact CG-CD1 4.36Å; D151-Y173 PolarHBondContact OD1-N 2.93Å |
| 174 | F | 85.4 | Confident | 94.1 | Very high | 82 Ų | 82 | 33.1 Ų | 33.1 | 36% | 0.36 | 15% | 0.154 | S | C | . | . | trans | -130.9 | 126 | 178.8 | 108.6 | -95.4 | 0 | 0 | 0 | 109.7 | R121 K123 | R121-F174 WeakPolarHBondContact CB-O 3.42Å; R121-F174 PolarHBondContact NE-O 2.93Å; R121-F174 PolarHBondContact O-N 3.21Å; K123-F174 HydrophobicContact CD-CB 4.12Å; K123-F174 HydrophobicContact CD-CD1 4.48Å; K123-F174 HydrophobicContact CD-CG 4.32Å; K123-F174 HydrophobicContact CG-CB 4.2Å; K123-F174 HydrophobicContact CG-CD1 3.95Å; K123-F174 HydrophobicContact CG-CG 4.25Å | ||
| 175 | E | 73.1 | Confident | 93.8 | Very high | 133 Ų | 133 | 32.4 Ų | 32.4 | 62% | 0.621 | 15% | 0.152 | S | C | * | . | trans | -91.2 | 0 | 173.8 | -180 | 110.6 | -126.7 | 0 | 0 | 111.7 | R121 | R121-E175 IonicContact CZ-OE1 3.19Å; R121-E175 IonicContact NH1-OE1 2.75Å; R121-E175 PolarHBondContact NH1-OE1 2.98Å; R121-E175 IonicContact NH1-OE2 3.64Å; R121-E175 IonicContact NH2-OE1 2.72Å; R121-E175 PolarHBondContact NH2-OE1 3.33Å; R121-E175 PolarHBondContact NH2-OXT 3.42Å |
Retrieved 175 of 175 residues in 112.3 ms
(Link to these results)