| 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 | 45.3 | Very low | 48.6 | Very low | 242 Ų | 242 | 136.6 Ų | 136.6 | 100% | 1.192 | 82% | 0.819 | S | S | * | * | 0 | 118.8 | 0 | -97 | 168.3 | 159 | 0 | 0 | 105.8 | |||||
| 2 | E | 46.2 | Very low | 48 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -75.7 | 167.1 | 173.4 | -59.4 | -58.6 | 109.7 | 0 | 0 | 110.4 | ||||
| 3 | P | 63.8 | Low | 47.4 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | cis | -133.4 | 168.9 | -41.2 | 35.8 | -21.4 | 0 | 0 | 0 | 112.4 | ||||
| 4 | D | 46.8 | Very low | 47.6 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -103.9 | 144 | 152.5 | -168.4 | 6.1 | 0 | 0 | 0 | 108.1 | ||||
| 5 | G | 41.9 | Very low | 48.1 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | -131.5 | 115.4 | -161.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 6 | G | 46.8 | Very low | 48.4 | Very low | 67 Ų | 67 | 140.1 Ų | 140.1 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | trans | -144.6 | 159.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 7 | I | 48.6 | Very low | 47.7 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | 60.4 | 163.5 | 171.2 | 19.9 | -176 | 0 | 0 | 0 | 115 | ||||
| 8 | P | 52.8 | Low | 48 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | cis | -128.2 | 175.5 | 14 | 43.3 | -27.7 | 0 | 0 | 0 | 117.3 | ||||
| 9 | S | 45.2 | Very low | 48.1 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 84% | 0.835 | S | S | * | * | trans | -90.1 | 166 | 166.9 | -39.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 10 | P | 54.3 | Low | 48 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 83% | 0.833 | S | S | * | * | trans | -114.5 | 150.8 | 138.2 | 39.3 | -31.7 | 0 | 0 | 0 | 109.4 | ||||
| 11 | L | 42.4 | Very low | 47.5 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | 60.1 | 132.8 | 53.3 | -60.9 | 178.1 | 0 | 0 | 0 | 112.1 | |||||
| 12 | S | 41.3 | Very low | 47.8 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | cis | -163.6 | 165.4 | 2.6 | 50.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 13 | G | 41 | Very low | 47.6 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 149.7 | 92.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 14 | D | 49.3 | Very low | 47.1 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -94.1 | 136.2 | 160.6 | -57.9 | -83.5 | 0 | 0 | 0 | 109.3 | ||||
| 15 | E | 56.3 | Low | 47 | Very low | 197 Ų | 197 | 125.9 Ų | 125.9 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -145.1 | 148.8 | 164.4 | -155 | 172.4 | 138.6 | 0 | 0 | 110.6 | ||||
| 16 | L | 51.7 | Low | 47.2 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | trans | -116.7 | 150.3 | -167.6 | -73.3 | 168.5 | 0 | 0 | 0 | 112.7 | ||||
| 17 | G | 36.3 | Very low | 47.1 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | 117.6 | 163.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 18 | S | 53.1 | Low | 47 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | cis | -158.8 | 155.1 | -12.7 | -177 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 19 | D | 51.5 | Low | 47.1 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -60.6 | 145.8 | 171.9 | -56.5 | -80.7 | 0 | 0 | 0 | 111.7 | ||||
| 20 | G | 44.4 | Very low | 46.9 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -168.6 | 116.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 21 | D | 38 | Very low | 46.5 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -75 | 163.8 | -169.6 | -83.8 | -64.1 | 0 | 0 | 0 | 116.2 | ||||
| 22 | C | 51.2 | Low | 46.4 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 82% | 0.824 | 83% | 0.833 | S | S | * | * | trans | -75 | 122.7 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 23 | V | 42.3 | Very low | 46.7 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | trans | -135.2 | 135.8 | 158.7 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 24 | A | 54.2 | Low | 46.6 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | -83.6 | 140.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 25 | N | 43.5 | Very low | 46.2 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | -151.5 | 123.9 | 160 | -101.3 | -43 | 0 | 0 | 0 | 110.7 | ||||
| 26 | S | 47 | Very low | 45.9 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -106 | 130.4 | 168.6 | -68.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 27 | P | 45.3 | Very low | 45.7 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -116.4 | 147.2 | 146.4 | 34.1 | -26.4 | 0 | 0 | 0 | 111.1 | ||||
| 28 | A | 45.8 | Very low | 46.1 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -96.6 | -167.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 29 | P | 54.5 | Low | 45.9 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | -99.3 | 146.3 | -96.3 | 36 | -27.8 | 0 | 0 | 0 | 112.8 | |||||
| 30 | V | 40.4 | Very low | 46.1 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -121 | 119.6 | 169.6 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 31 | T | 47.8 | Very low | 46.3 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -80.3 | 114.7 | 173 | 44.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 32 | Q | 39.4 | Very low | 47.1 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -129.4 | 144.7 | 154.7 | -69.4 | -168.1 | -8.7 | 0 | 0 | 109.1 | ||||
| 33 | G | 46.7 | Very low | 47.3 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -78.1 | 136 | -165 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 34 | S | 40.4 | Very low | 48.3 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -104.2 | 111 | 159.9 | 48.5 | 0 | 0 | 0 | 0 | 109.2 | S36 | S34-S36 PolarHBondContact O-N 2.91Š| ||
| 35 | E | 41.3 | Very low | 49.4 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -70 | 132 | -175.4 | -70.3 | -168 | 104.8 | 0 | 0 | 112.6 | G37 | E35-G37 PolarHBondContact O-N 3.44Š| ||
| 36 | S | 49.4 | Very low | 51.1 | Low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 57.1 | 23 | 150 | 79.4 | 0 | 0 | 0 | 0 | 118 | S34 K38 | S34-S36 PolarHBondContact O-N 2.91Å; S36-K38 PolarHBondContact O-N 3.01Å | ||
| 37 | G | 47.3 | Very low | 52.9 | Low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -62.7 | 63 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E35 G39 | E35-G37 PolarHBondContact O-N 3.44Å; G37-G39 PolarHBondContact O-N 3.24Å | ||
| 38 | K | 45.2 | Very low | 54.8 | Low | 191 Ų | 191 | 125.8 Ų | 125.8 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | trans | -66.2 | 81.1 | 176.9 | -78.1 | -178.1 | 177.1 | 172.1 | 0 | 108.7 | S36 K40 | S36-K38 PolarHBondContact O-N 3.01Å; K38-K40 PolarHBondContact O-N 2.67Å | ||
| 39 | G | 48.1 | Very low | 56.8 | Low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | -51.3 | 106.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | G37 | G37-G39 PolarHBondContact O-N 3.24Š| ||
| 40 | K | 56.3 | Low | 58.5 | Low | 196 Ų | 196 | 122.8 Ų | 122.8 | 85% | 0.852 | 68% | 0.682 | S | S | * | * | trans | -46 | 115.4 | -177.7 | -70 | 169.5 | -179.6 | 169.7 | 0 | 106.6 | K38 Y42 | K38-K40 PolarHBondContact O-N 2.67Å; K40-Y42 PolarHBondContact O-N 2.61Å | ||
| 41 | P | 48.8 | Very low | 60.9 | Low | 114 Ų | 114 | 117.8 Ų | 117.8 | 74% | 0.74 | 65% | 0.654 | S | S | * | * | trans | -56.7 | 113.6 | -171.5 | 21 | -32.1 | 0 | 0 | 0 | 106.4 | T43 | P41-T43 PolarHBondContact O-N 2.66Š| ||
| 42 | Y | 54.8 | Low | 63.1 | Low | 158 Ų | 158 | 113.1 Ų | 113.1 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | trans | -65.9 | 94.6 | -174.9 | 175.6 | -106.7 | 0 | 0 | 0 | 105.9 | K40 R44 | K40-Y42 PolarHBondContact O-N 2.61Å; Y42-R44 HydrophobicContact CD1-CG 3.53Å; Y42-R44 HydrophobicContact CE1-CG 3.79Å; Y42-R44 WeakPolarHBondContact O-CG 3.33Å; Y42-R44 PolarHBondContact O-N 3.13Å | ||
| 43 | T | 55.8 | Low | 65.7 | Low | 100 Ų | 100 | 105.9 Ų | 105.9 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | trans | -61 | 93.9 | -178 | -80.4 | 0 | 0 | 0 | 0 | 105.8 | P41 R45 | P41-T43 PolarHBondContact O-N 2.66Å; T43-R45 HydrophobicContact CG2-CG 3.89Å; T43-R45 PolarHBondContact O-N 2.76Å | ||
| 44 | R | 62.7 | Low | 67.9 | Low | 211 Ų | 211 | 102 Ų | 102 | 80% | 0.796 | 55% | 0.547 | S | S | * | . | trans | -70.5 | 73.3 | 175.8 | -73 | -170.4 | -179.8 | -119.1 | -0.4 | 106.3 | Y42 | Y42-R44 HydrophobicContact CD1-CG 3.53Å; Y42-R44 HydrophobicContact CE1-CG 3.79Å; Y42-R44 WeakPolarHBondContact O-CG 3.33Å; Y42-R44 PolarHBondContact O-N 3.13Å | ||
| 45 | R | 76.3 | Confident | 70.4 | Confident | 127 Ų | 127 | 96.4 Ų | 96.4 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | trans | -43.8 | 124.9 | 176.9 | -68.1 | -175.2 | 179.9 | -96.5 | 8.4 | 106.3 | T43 K47 P82 F83 | T43-R45 HydrophobicContact CG2-CG 3.89Å; T43-R45 PolarHBondContact O-N 2.76Å; R45-K47 PolarHBondContact O-N 2.79Å; R45-K47 VanDerWaalsContact O-N 3.12Å; R45-P82 WeakPolarHBondContact CD-O 3.11Å; R45-F83 VanDerWaalsContact O-CD2 3.25Å; R45-F83 WeakPolarHBondContact O-CD2 3.5Å | ||
| 46 | P | 80.4 | Confident | 73 | Confident | 119 Ų | 119 | 87.8 Ų | 87.8 | 77% | 0.773 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 123.7 | -161.8 | 18.3 | -31.6 | 0 | 0 | 0 | 110.3 | ||
| 47 | K | 83.5 | Confident | 75.1 | Confident | 112 Ų | 112 | 82.9 Ų | 82.9 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 127 | -179 | -178.4 | 170.7 | -175.7 | 171.2 | 0 | 108.2 | R45 F83 | R45-K47 PolarHBondContact O-N 2.79Å; R45-K47 VanDerWaalsContact O-N 3.12Å; K47-F83 HydrophobicContact CB-CD2 4.25Å; K47-F83 HydrophobicContact CB-CE1 4.49Å; K47-F83 HydrophobicContact CB-CE2 4.05Å; K47-F83 HydrophobicContact CB-CZ 4.18Å; K47-F83 HydrophobicContact CD-CE1 4.22Å; K47-F83 HydrophobicContact CD-CZ 3.96Å; K47-F83 HydrophobicContact CG-CD1 4.28Å; K47-F83 HydrophobicContact CG-CE1 3.88Å; K47-F83 HydrophobicContact CG-CE2 4.27Å; K47-F83 HydrophobicContact CG-CZ 3.88Å |
| 48 | P | 86.8 | Confident | 77.3 | Confident | 11 Ų | 11 | 80.3 Ų | 80.3 | 7% | 0.071 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 144.7 | -176.7 | -28.4 | 34.5 | 0 | 0 | 0 | 112.6 | Y50 L55 F81 F83 F84 | P48-Y50 HydrophobicContact CB-CD2 3.81Å; P48-Y50 PolarHBondContact O-N 2.97Å; P48-L55 HydrophobicContact CB-CD2 4.32Å; P48-F81 HydrophobicContact CB-CD1 4.09Å; P48-F81 HydrophobicContact CB-CE1 4.34Å; P48-F81 HydrophobicContact CG-CB 3.95Å; P48-F81 HydrophobicContact CG-CD1 3.71Å; P48-F81 HydrophobicContact CG-CE1 4.44Å; P48-F81 HydrophobicContact CG-CG 3.9Å; P48-F83 HydrophobicContact CG-CB 4.43Å; P48-F84 HydrophobicContact CG-CE2 4.3Å |
| 49 | P | 86.7 | Confident | 79.8 | Confident | 82 Ų | 82 | 71.2 Ų | 71.2 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -71.7 | 15.7 | -175.5 | 30.7 | -36.7 | 0 | 0 | 0 | 114.5 | R139 | P49-R139 PolarHBondContact O-N 3.39Š|
| 50 | Y | 89.7 | Confident | 82 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 28% | 0.275 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -107.3 | 161.5 | -168.7 | -56.9 | -57.9 | 0 | 0 | 0 | 112.2 | P48 L55 M58 F81 F137 R139 | P48-Y50 HydrophobicContact CB-CD2 3.81Å; P48-Y50 PolarHBondContact O-N 2.97Å; Y50-L55 HydrophobicContact CD2-CD2 4.13Å; Y50-M58 HydrophobicContact CD1-CE 4.37Å; Y50-M58 HydrophobicContact CD2-CE 3.79Å; Y50-M58 HydrophobicContact CE2-CE 4.12Å; Y50-M58 HydrophobicContact CG-CE 3.94Å; Y50-F81 HydrophobicContact CD2-CE1 4.21Å; Y50-F81 HydrophobicContact CD2-CZ 4.28Å; Y50-F81 HydrophobicContact CE2-CE1 4.01Å; Y50-F81 HydrophobicContact CE2-CZ 4.27Å; Y50-F137 WeakPolarHBondContact CA-O 3.34Å; Y50-F137 HydrophobicContact CD1-CB 3.76Å; Y50-F137 WeakPolarHBondContact CD1-O 3.49Å; Y50-F137 HydrophobicContact CE1-CB 3.93Å; Y50-R139 PolarHBondContact O-NH2 2.72Å |
| 51 | S | 91.9 | Very high | 83.7 | Confident | 27 Ų | 27 | 67.1 Ų | 67.1 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | trans | -80.9 | 166 | 164.6 | 62.8 | 0 | 0 | 0 | 0 | 110.6 | I53 A54 L55 | S51-I53 VanDerWaalsContact C-N 3.28Å; S51-A54 PolarHBondContact O-N 3.12Å; S51-A54 WeakPolarHBondContact OG-CB 3.36Å; S51-A54 PolarHBondContact OG-N 3.42Å; S51-L55 WeakPolarHBondContact O-CB 3.41Å; S51-L55 WeakPolarHBondContact O-CD1 3.37Å; S51-L55 VanDerWaalsContact O-CG 3.23Å; S51-L55 WeakPolarHBondContact O-CG 3.18Å; S51-L55 PolarHBondContact O-N 3.09Å | ||
| 52 | Y | 94.8 | Very high | 85.8 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -35.2 | 171.4 | -74.1 | -65.5 | 0 | 0 | 0 | 111.5 | A54 L55 I56 F84 S94 V95 | Y52-A54 PolarHBondContact O-N 2.75Å; Y52-L55 HydrophobicContact CD1-CD1 4.09Å; Y52-L55 PolarHBondContact O-N 3.14Å; Y52-I56 WeakPolarHBondContact O-CD1 3.28Å; Y52-I56 VanDerWaalsContact O-CG1 3.23Å; Y52-I56 WeakPolarHBondContact O-CG1 3.35Å; Y52-I56 PolarHBondContact O-N 3.27Å; Y52-F84 HydrophobicContact CE1-CE1 4.08Å; Y52-F84 HydrophobicContact CE1-CZ 4.31Å; Y52-S94 PolarHBondContact OH-OG 2.69Å; Y52-V95 HydrophobicContact CD1-CG2 4.3Å |
| 53 | I | 93.4 | Very high | 87.8 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54 | -53.4 | 170.4 | -51.8 | 171.3 | 0 | 0 | 0 | 110.4 | S51 L55 I56 A57 N102 C104 F105 Y130 | S51-I53 VanDerWaalsContact C-N 3.28Å; I53-L55 VanDerWaalsContact C-N 3.32Å; I53-L55 PolarHBondContact O-N 3.47Å; I53-I56 PolarHBondContact O-N 3.23Å; I53-A57 VanDerWaalsContact O-CB 3.29Å; I53-A57 WeakPolarHBondContact O-CB 3.18Å; I53-A57 PolarHBondContact O-N 2.67Å; I53-N102 VanDerWaalsContact CD1-OD1 3.26Å; I53-N102 WeakPolarHBondContact CD1-OD1 3.32Å; I53-C104 HydrophobicContact CG2-CB 4.28Å; I53-F105 HydrophobicContact CB-CE2 4.36Å; I53-F105 HydrophobicContact CB-CZ 4.37Å; I53-F105 HydrophobicContact CG1-CE2 4.47Å; I53-F105 HydrophobicContact CG2-CE2 3.95Å; I53-F105 HydrophobicContact CG2-CZ 3.8Å; I53-Y130 HydrophobicContact CG2-CD1 3.99Å; I53-Y130 HydrophobicContact CG2-CD2 3.94Å; I53-Y130 HydrophobicContact CG2-CE1 4.05Å; I53-Y130 HydrophobicContact CG2-CE2 4.01Å; I53-Y130 HydrophobicContact CG2-CG 3.97Å |
| 54 | A | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S51 Y52 A57 M58 Y130 F137 | S51-A54 PolarHBondContact O-N 3.12Å; S51-A54 WeakPolarHBondContact OG-CB 3.36Å; S51-A54 PolarHBondContact OG-N 3.42Å; Y52-A54 PolarHBondContact O-N 2.75Å; A54-A57 PolarHBondContact O-N 3.21Å; A54-M58 WeakPolarHBondContact O-CE 3.3Å; A54-M58 WeakPolarHBondContact O-CG 3.49Å; A54-M58 PolarHBondContact O-N 3.47Å; A54-Y130 WeakPolarHBondContact CA-OH 3.49Å; A54-Y130 VanDerWaalsContact CB-OH 3.24Å; A54-Y130 WeakPolarHBondContact CB-OH 3.22Å; A54-F137 HydrophobicContact CB-CB 4.11Å; A54-F137 HydrophobicContact CB-CD1 4.13Å; A54-F137 WeakPolarHBondContact CB-O 3.46Å |
| 55 | L | 94.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 179.1 | -74.1 | 167.3 | 0 | 0 | 0 | 112.6 | P48 Y50 S51 Y52 I53 M58 A59 L77 F81 F84 | P48-L55 HydrophobicContact CB-CD2 4.32Å; Y50-L55 HydrophobicContact CD2-CD2 4.13Å; S51-L55 WeakPolarHBondContact O-CB 3.41Å; S51-L55 WeakPolarHBondContact O-CD1 3.37Å; S51-L55 VanDerWaalsContact O-CG 3.23Å; S51-L55 WeakPolarHBondContact O-CG 3.18Å; S51-L55 PolarHBondContact O-N 3.09Å; Y52-L55 HydrophobicContact CD1-CD1 4.09Å; Y52-L55 PolarHBondContact O-N 3.14Å; I53-L55 VanDerWaalsContact C-N 3.32Å; I53-L55 PolarHBondContact O-N 3.47Å; L55-M58 HydrophobicContact CD2-CE 3.93Å; L55-M58 HydrophobicContact CG-CE 4.49Å; L55-A59 PolarHBondContact O-N 3.45Å; L55-L77 HydrophobicContact CB-CD2 3.79Å; L55-L77 HydrophobicContact CD2-CD2 4.04Å; L55-L77 HydrophobicContact CG-CD2 4.42Å; L55-F81 HydrophobicContact CD2-CD2 3.78Å; L55-F81 HydrophobicContact CD2-CE1 4.4Å; L55-F81 HydrophobicContact CD2-CE2 3.38Å; L55-F81 HydrophobicContact CD2-CG 4.44Å; L55-F81 HydrophobicContact CD2-CZ 3.73Å; L55-F84 HydrophobicContact CD1-CE2 4.03Å; L55-F84 HydrophobicContact CD1-CZ 3.67Å; L55-F84 HydrophobicContact CD2-CE2 4.32Å |
| 56 | I | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71 | -42.3 | 175.9 | -63.6 | 160.6 | 0 | 0 | 0 | 110.3 | Y52 I53 M58 A59 I60 I73 V95 N98 L99 F105 | Y52-I56 WeakPolarHBondContact O-CD1 3.28Å; Y52-I56 VanDerWaalsContact O-CG1 3.23Å; Y52-I56 WeakPolarHBondContact O-CG1 3.35Å; Y52-I56 PolarHBondContact O-N 3.27Å; I53-I56 PolarHBondContact O-N 3.23Å; I56-M58 PolarHBondContact O-N 2.92Å; I56-A59 WeakPolarHBondContact O-CB 3.36Å; I56-A59 PolarHBondContact O-N 2.96Å; I56-A59 VanDerWaalsContact O-N 3.12Å; I56-I60 HydrophobicContact CG2-CD1 3.89Å; I56-I60 HydrophobicContact CG2-CG1 4.46Å; I56-I60 WeakPolarHBondContact O-CG1 3.39Å; I56-I60 PolarHBondContact O-N 3.43Å; I56-I73 HydrophobicContact CG1-CG2 4.11Å; I56-I73 HydrophobicContact CG2-CD1 4.22Å; I56-I73 HydrophobicContact CG2-CG2 4.5Å; I56-V95 HydrophobicContact CD1-CG1 4.27Å; I56-V95 HydrophobicContact CG1-CG1 4.37Å; I56-N98 HydrophobicContact CD1-CB 3.96Å; I56-L99 HydrophobicContact CD1-CD2 4.11Å; I56-L99 HydrophobicContact CD1-CG 4.09Å; I56-L99 HydrophobicContact CG2-CD2 3.69Å; I56-F105 HydrophobicContact CB-CE1 3.9Å; I56-F105 HydrophobicContact CB-CE2 4.38Å; I56-F105 HydrophobicContact CB-CZ 3.67Å; I56-F105 HydrophobicContact CD1-CE2 4.18Å; I56-F105 HydrophobicContact CD1-CZ 4.32Å; I56-F105 HydrophobicContact CG2-CD1 3.86Å; I56-F105 HydrophobicContact CG2-CE1 3.35Å; I56-F105 HydrophobicContact CG2-CE2 4.29Å; I56-F105 HydrophobicContact CG2-CZ 3.6Å |
| 57 | A | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I53 A54 A59 I60 R61 L124 Y130 | I53-A57 VanDerWaalsContact O-CB 3.29Å; I53-A57 WeakPolarHBondContact O-CB 3.18Å; I53-A57 PolarHBondContact O-N 2.67Å; A54-A57 PolarHBondContact O-N 3.21Å; A57-A59 VanDerWaalsContact C-N 3.35Å; A57-I60 PolarHBondContact O-N 3.24Å; A57-R61 WeakPolarHBondContact O-CB 3.24Å; A57-R61 VanDerWaalsContact O-CG 3.3Å; A57-R61 WeakPolarHBondContact O-CG 3.34Å; A57-R61 PolarHBondContact O-N 3.45Å; A57-L124 HydrophobicContact CB-CD1 4.35Å; A57-L124 HydrophobicContact CB-CD2 3.93Å; A57-Y130 HydrophobicContact CB-CD1 3.94Å; A57-Y130 HydrophobicContact CB-CE1 3.56Å |
| 58 | M | 93.8 | Very high | 93.3 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 171.4 | -74.7 | -177.1 | -68.2 | 0 | 0 | 111.8 | Y50 A54 L55 I56 I60 R61 E62 F81 | Y50-M58 HydrophobicContact CD1-CE 4.37Å; Y50-M58 HydrophobicContact CD2-CE 3.79Å; Y50-M58 HydrophobicContact CE2-CE 4.12Å; Y50-M58 HydrophobicContact CG-CE 3.94Å; A54-M58 WeakPolarHBondContact O-CE 3.3Å; A54-M58 WeakPolarHBondContact O-CG 3.49Å; A54-M58 PolarHBondContact O-N 3.47Å; L55-M58 HydrophobicContact CD2-CE 3.93Å; L55-M58 HydrophobicContact CG-CE 4.49Å; I56-M58 PolarHBondContact O-N 2.92Å; M58-I60 PolarHBondContact O-N 3.45Å; M58-R61 PolarHBondContact O-N 3.01Å; M58-E62 WeakPolarHBondContact O-CB 3.35Å; M58-E62 WeakPolarHBondContact O-CG 3.49Å; M58-E62 PolarHBondContact O-N 3.46Å; M58-F81 HydrophobicContact CE-CE2 4.38Å; M58-F81 HydrophobicContact CE-CZ 3.9Å |
| 59 | A | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L55 I56 A57 S63 L68 Y76 | L55-A59 PolarHBondContact O-N 3.45Å; I56-A59 WeakPolarHBondContact O-CB 3.36Å; I56-A59 PolarHBondContact O-N 2.96Å; I56-A59 VanDerWaalsContact O-N 3.12Å; A57-A59 VanDerWaalsContact C-N 3.35Å; A59-S63 PolarHBondContact O-N 2.99Å; A59-L68 HydrophobicContact CB-CD1 3.84Å; A59-L68 WeakPolarHBondContact O-CD1 3.32Å; A59-Y76 VanDerWaalsContact CA-CE1 3.49Å; A59-Y76 HydrophobicContact CB-CD1 3.28Å; A59-Y76 HydrophobicContact CB-CD2 4.25Å; A59-Y76 HydrophobicContact CB-CE1 3.58Å; A59-Y76 HydrophobicContact CB-CE2 4.48Å; A59-Y76 HydrophobicContact CB-CG 3.66Å |
| 60 | I | 94.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.9 | -42.4 | -178.6 | -63.7 | 172.6 | 0 | 0 | 0 | 111.1 | I56 A57 M58 E62 S63 G66 F105 W122 L124 | I56-I60 HydrophobicContact CG2-CD1 3.89Å; I56-I60 HydrophobicContact CG2-CG1 4.46Å; I56-I60 WeakPolarHBondContact O-CG1 3.39Å; I56-I60 PolarHBondContact O-N 3.43Å; A57-I60 PolarHBondContact O-N 3.24Å; M58-I60 PolarHBondContact O-N 3.45Å; I60-E62 VanDerWaalsContact C-N 3.33Å; I60-E62 PolarHBondContact O-N 3.03Å; I60-S63 WeakPolarHBondContact O-CB 3.29Å; I60-S63 PolarHBondContact O-N 3.48Å; I60-S63 PolarHBondContact O-OG 3.31Å; I60-G66 VanDerWaalsContact CG2-O 3.27Å; I60-G66 WeakPolarHBondContact CG2-O 3.5Å; I60-F105 HydrophobicContact CD1-CD1 4.01Å; I60-F105 HydrophobicContact CD1-CE1 4.21Å; I60-W122 HydrophobicContact CD1-CB 4.48Å; I60-L124 HydrophobicContact CB-CD1 4.46Å; I60-L124 HydrophobicContact CB-CG 4.34Å; I60-L124 HydrophobicContact CD1-CG 4.47Å; I60-L124 HydrophobicContact CG2-CD1 4.3Å; I60-L124 HydrophobicContact CG2-CG 4.09Å |
| 61 | R | 92 | Very high | 94.6 | Very high | 174 Ų | 174 | 42.8 Ų | 42.8 | 66% | 0.657 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -68 | -28.5 | 178.8 | -72.4 | -178.5 | 70.5 | -154.6 | 2.2 | 114.1 | A57 M58 S63 L124 | A57-R61 WeakPolarHBondContact O-CB 3.24Å; A57-R61 VanDerWaalsContact O-CG 3.3Å; A57-R61 WeakPolarHBondContact O-CG 3.34Å; A57-R61 PolarHBondContact O-N 3.45Å; M58-R61 PolarHBondContact O-N 3.01Å; R61-S63 VanDerWaalsContact C-N 3.34Å; R61-L124 HydrophobicContact CG-CD1 3.61Å |
| 62 | E | 93.9 | Very high | 94.9 | Very high | 106 Ų | 106 | 45.6 Ų | 45.6 | 50% | 0.495 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1.3 | 176.4 | -67.7 | 169.9 | -150.3 | 0 | 0 | 112.7 | M58 I60 Y76 K80 | M58-E62 WeakPolarHBondContact O-CB 3.35Å; M58-E62 WeakPolarHBondContact O-CG 3.49Å; M58-E62 PolarHBondContact O-N 3.46Å; I60-E62 VanDerWaalsContact C-N 3.33Å; I60-E62 PolarHBondContact O-N 3.03Å; E62-Y76 HydrophobicContact CB-CE2 4.17Å; E62-Y76 PolarHBondContact OE1-OH 3.48Å; E62-Y76 VanDerWaalsContact OE1-OH 3.13Å; E62-Y76 WeakPolarHBondContact OE2-CE2 3.25Å; E62-Y76 PolarHBondContact OE2-OH 3.37Å; E62-K80 IonicContact OE1-NZ 2.66Å; E62-K80 PolarHBondContact OE1-NZ 3.07Å; E62-K80 IonicContact OE2-NZ 2.67Å; E62-K80 PolarHBondContact OE2-NZ 2.95Å |
| 63 | S | 95.3 | Very high | 95 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -82.7 | 130.4 | 169.4 | 76 | 0 | 0 | 0 | 0 | 110.8 | A59 I60 R61 S65 G66 R67 | A59-S63 PolarHBondContact O-N 2.99Å; I60-S63 WeakPolarHBondContact O-CB 3.29Å; I60-S63 PolarHBondContact O-N 3.48Å; I60-S63 PolarHBondContact O-OG 3.31Å; R61-S63 VanDerWaalsContact C-N 3.34Å; S63-S65 PolarHBondContact O-N 3.24Å; S63-S65 VanDerWaalsContact O-N 3.14Å; S63-S65 PolarHBondContact OG-OG 2.77Å; S63-G66 PolarHBondContact O-N 2.82Å; S63-G66 VanDerWaalsContact O-N 3.12Å; S63-G66 PolarHBondContact OG-N 3.37Å; S63-R67 PolarHBondContact OG-N 3.12Å |
| 64 | S | 95.1 | Very high | 95.2 | Very high | 139 Ų | 139 | 42.8 Ų | 42.8 | 97% | 0.972 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.5 | 176.1 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 65 | S | 93.7 | Very high | 95.5 | Very high | 63 Ų | 63 | 46 Ų | 46 | 44% | 0.441 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -11.6 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | S63 R67 | S63-S65 PolarHBondContact O-N 3.24Å; S63-S65 VanDerWaalsContact O-N 3.14Å; S63-S65 PolarHBondContact OG-OG 2.77Å; S65-R67 PolarHBondContact O-N 3.02Å; S65-R67 VanDerWaalsContact O-N 3.09Å; S65-R67 PolarHBondContact OG-O 2.87Å |
| 66 | G | 93.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 60.3 | 12.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I60 S63 | I60-G66 VanDerWaalsContact CG2-O 3.27Å; I60-G66 WeakPolarHBondContact CG2-O 3.5Å; S63-G66 PolarHBondContact O-N 2.82Å; S63-G66 VanDerWaalsContact O-N 3.12Å; S63-G66 PolarHBondContact OG-N 3.37Å |
| 67 | R | 95.2 | Very high | 95.7 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 136.7 | -174 | 72.7 | -172.9 | 174.6 | 174.6 | -2.4 | 111.2 | S63 S65 Y121 W122 M123 | S63-R67 PolarHBondContact OG-N 3.12Å; S65-R67 PolarHBondContact O-N 3.02Å; S65-R67 VanDerWaalsContact O-N 3.09Å; S65-R67 PolarHBondContact OG-O 2.87Å; R67-Y121 HydrophobicContact CG-CD1 4.1Å; R67-Y121 HydrophobicContact CG-CG 4.28Å; R67-W122 WeakPolarHBondContact CA-O 3.46Å; R67-M123 HydrophobicContact CB-CE 4.46Å; R67-M123 HydrophobicContact CB-CG 3.34Å; R67-M123 HydrophobicContact CB-SD 3.84Å |
| 68 | L | 97.2 | Very high | 95.8 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.4 | -179.3 | -67.7 | -178.4 | 0 | 0 | 0 | 111.8 | A59 E72 I73 W122 | A59-L68 HydrophobicContact CB-CD1 3.84Å; A59-L68 WeakPolarHBondContact O-CD1 3.32Å; L68-E72 HydrophobicContact CB-CB 4.23Å; L68-E72 HydrophobicContact CD2-CB 3.94Å; L68-E72 HydrophobicContact CG-CB 4.49Å; L68-I73 HydrophobicContact CB-CD1 4.22Å; L68-I73 HydrophobicContact CB-CG1 3.74Å; L68-I73 HydrophobicContact CD1-CG1 4.03Å; L68-W122 PolarHBondContact N-O 3.02Å; L68-W122 WeakPolarHBondContact O-CB 3.33Å; L68-W122 PolarHBondContact O-N 3.11Å |
| 69 | T | 97.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 8% | 0.08 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 164.9 | 166.7 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | A71 E72 I73 D119 Y121 | T69-A71 PolarHBondContact O-N 3.43Å; T69-E72 VanDerWaalsContact CB-OE2 3.27Å; T69-E72 WeakPolarHBondContact CB-OE2 3.23Å; T69-E72 WeakPolarHBondContact CG2-OE2 3.48Å; T69-E72 PolarHBondContact N-OE2 3.36Å; T69-E72 PolarHBondContact O-N 3.32Å; T69-E72 WeakPolarHBondContact OG1-CG 3.38Å; T69-E72 PolarHBondContact OG1-N 3.26Å; T69-E72 PolarHBondContact OG1-OE2 3.1Å; T69-I73 WeakPolarHBondContact O-CD1 3.27Å; T69-I73 VanDerWaalsContact O-CG1 3.32Å; T69-I73 WeakPolarHBondContact O-CG1 3.27Å; T69-I73 PolarHBondContact O-N 3.33Å; T69-D119 HydrophobicContact CG2-CB 4.32Å; T69-Y121 HydrophobicContact CG2-CD1 3.84Å; T69-Y121 HydrophobicContact CG2-CE1 3.77Å |
| 70 | L | 96.5 | Very high | 95.9 | Very high | 50 Ų | 50 | 60 Ų | 60 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.3 | -35.5 | 171.7 | 174.5 | 63.5 | 0 | 0 | 0 | 112.4 | N74 V95 R96 L99 | L70-N74 PolarHBondContact O-N 3.27Å; L70-N74 PolarHBondContact O-ND2 2.84Å; L70-V95 HydrophobicContact CD1-CG1 3.99Å; L70-R96 HydrophobicContact CD1-CG 3.88Å; L70-R96 HydrophobicContact CD2-CG 3.7Å; L70-R96 HydrophobicContact CG-CG 4.46Å; L70-L99 HydrophobicContact CD1-CD1 3.85Å |
| 71 | A | 96.8 | Very high | 95.8 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -53 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | T69 I73 N74 D75 | T69-A71 PolarHBondContact O-N 3.43Å; A71-I73 VanDerWaalsContact C-N 3.31Å; A71-I73 PolarHBondContact O-N 2.95Å; A71-N74 WeakPolarHBondContact O-CB 3.42Å; A71-N74 PolarHBondContact O-N 2.71Å; A71-N74 VanDerWaalsContact O-N 3.08Å; A71-D75 PolarHBondContact O-N 2.84Å |
| 72 | E | 97.4 | Very high | 95.8 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | -179.2 | -65.8 | 158.9 | 121.4 | 0 | 0 | 112.5 | L68 T69 D75 Y76 | L68-E72 HydrophobicContact CB-CB 4.23Å; L68-E72 HydrophobicContact CD2-CB 3.94Å; L68-E72 HydrophobicContact CG-CB 4.49Å; T69-E72 VanDerWaalsContact CB-OE2 3.27Å; T69-E72 WeakPolarHBondContact CB-OE2 3.23Å; T69-E72 WeakPolarHBondContact CG2-OE2 3.48Å; T69-E72 PolarHBondContact N-OE2 3.36Å; T69-E72 PolarHBondContact O-N 3.32Å; T69-E72 WeakPolarHBondContact OG1-CG 3.38Å; T69-E72 PolarHBondContact OG1-N 3.26Å; T69-E72 PolarHBondContact OG1-OE2 3.1Å; E72-D75 PolarHBondContact O-N 3.04Å; E72-Y76 VanDerWaalsContact O-CB 3.27Å; E72-Y76 WeakPolarHBondContact O-CB 3.37Å; E72-Y76 PolarHBondContact O-N 2.76Å |
| 73 | I | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 173.3 | -67.9 | 163.1 | 0 | 0 | 0 | 110.8 | I56 L68 T69 A71 D75 L77 V95 L99 W122 | I56-I73 HydrophobicContact CG1-CG2 4.11Å; I56-I73 HydrophobicContact CG2-CD1 4.22Å; I56-I73 HydrophobicContact CG2-CG2 4.5Å; L68-I73 HydrophobicContact CB-CD1 4.22Å; L68-I73 HydrophobicContact CB-CG1 3.74Å; L68-I73 HydrophobicContact CD1-CG1 4.03Å; T69-I73 WeakPolarHBondContact O-CD1 3.27Å; T69-I73 VanDerWaalsContact O-CG1 3.32Å; T69-I73 WeakPolarHBondContact O-CG1 3.27Å; T69-I73 PolarHBondContact O-N 3.33Å; A71-I73 VanDerWaalsContact C-N 3.31Å; A71-I73 PolarHBondContact O-N 2.95Å; I73-D75 VanDerWaalsContact C-N 3.33Å; I73-D75 PolarHBondContact O-N 3.12Å; I73-L77 HydrophobicContact CG2-CD1 4.34Å; I73-L77 VanDerWaalsContact O-CG 3.27Å; I73-L77 WeakPolarHBondContact O-CG 3.33Å; I73-L77 PolarHBondContact O-N 3.47Å; I73-L77 VanDerWaalsContact O-N 3.11Å; I73-V95 HydrophobicContact CG2-CG1 3.87Å; I73-L99 HydrophobicContact CD1-CD1 4.27Å; I73-L99 HydrophobicContact CD1-CD2 4.19Å; I73-W122 HydrophobicContact CD1-CB 4.2Å |
| 74 | N | 97.2 | Very high | 95.7 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.2 | -72.4 | -56.4 | 0 | 0 | 0 | 111.3 | L70 A71 L77 M78 W91 | L70-N74 PolarHBondContact O-N 3.27Å; L70-N74 PolarHBondContact O-ND2 2.84Å; A71-N74 WeakPolarHBondContact O-CB 3.42Å; A71-N74 PolarHBondContact O-N 2.71Å; A71-N74 VanDerWaalsContact O-N 3.08Å; N74-L77 PolarHBondContact O-N 2.84Å; N74-M78 WeakPolarHBondContact O-CG 3.32Å; N74-M78 PolarHBondContact O-N 2.71Å; N74-W91 HydrophobicContact CB-CH2 3.96Å; N74-W91 HydrophobicContact CB-CZ3 4.16Å; N74-W91 WeakPolarHBondContact OD1-CZ3 3.41Å |
| 75 | D | 97.6 | Very high | 95.6 | Very high | 67 Ų | 67 | 51.6 Ų | 51.6 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | -179.2 | -74.6 | -1 | 0 | 0 | 0 | 112.7 | A71 E72 I73 L77 M78 K79 | A71-D75 PolarHBondContact O-N 2.84Å; E72-D75 PolarHBondContact O-N 3.04Å; I73-D75 VanDerWaalsContact C-N 3.33Å; I73-D75 PolarHBondContact O-N 3.12Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 2.94Å; D75-M78 HydrophobicContact CB-CE 4.46Å; D75-M78 PolarHBondContact O-N 2.84Å; D75-M78 WeakPolarHBondContact OD1-CE 3.46Å; D75-K79 WeakPolarHBondContact O-CB 3.4Å; D75-K79 WeakPolarHBondContact O-CD 3.27Å; D75-K79 WeakPolarHBondContact O-CG 3.38Å; D75-K79 PolarHBondContact O-N 2.88Å |
| 76 | Y | 97.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.2 | -45.5 | 171.5 | 171 | -84.9 | 0 | 0 | 0 | 111 | A59 E62 E72 K79 K80 | A59-Y76 VanDerWaalsContact CA-CE1 3.49Å; A59-Y76 HydrophobicContact CB-CD1 3.28Å; A59-Y76 HydrophobicContact CB-CD2 4.25Å; A59-Y76 HydrophobicContact CB-CE1 3.58Å; A59-Y76 HydrophobicContact CB-CE2 4.48Å; A59-Y76 HydrophobicContact CB-CG 3.66Å; E62-Y76 HydrophobicContact CB-CE2 4.17Å; E62-Y76 PolarHBondContact OE1-OH 3.48Å; E62-Y76 VanDerWaalsContact OE1-OH 3.13Å; E62-Y76 WeakPolarHBondContact OE2-CE2 3.25Å; E62-Y76 PolarHBondContact OE2-OH 3.37Å; E72-Y76 VanDerWaalsContact O-CB 3.27Å; E72-Y76 WeakPolarHBondContact O-CB 3.37Å; E72-Y76 PolarHBondContact O-N 2.76Å; Y76-K79 PolarHBondContact O-N 2.67Å; Y76-K80 HydrophobicContact CE1-CB 4.42Å; Y76-K80 HydrophobicContact CE1-CD 4.09Å; Y76-K80 HydrophobicContact CE2-CD 4.21Å; Y76-K80 WeakPolarHBondContact O-CB 3.49Å; Y76-K80 PolarHBondContact O-N 2.92Å; Y76-K80 WeakPolarHBondContact OH-CD 3.47Å; Y76-K80 PolarHBondContact OH-NZ 3.42Å |
| 77 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 179.6 | -69 | 178.6 | 0 | 0 | 0 | 112.3 | L55 I73 N74 D75 F81 F84 W91 V95 | L55-L77 HydrophobicContact CB-CD2 3.79Å; L55-L77 HydrophobicContact CD2-CD2 4.04Å; L55-L77 HydrophobicContact CG-CD2 4.42Å; I73-L77 HydrophobicContact CG2-CD1 4.34Å; I73-L77 VanDerWaalsContact O-CG 3.27Å; I73-L77 WeakPolarHBondContact O-CG 3.33Å; I73-L77 PolarHBondContact O-N 3.47Å; I73-L77 VanDerWaalsContact O-N 3.11Å; N74-L77 PolarHBondContact O-N 2.84Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 2.94Å; L77-F81 HydrophobicContact CD2-CD2 4.02Å; L77-F81 HydrophobicContact CD2-CE2 4.14Å; L77-F81 PolarHBondContact O-N 3.08Å; L77-F84 HydrophobicContact CB-CD2 3.73Å; L77-F84 HydrophobicContact CB-CE2 4.24Å; L77-F84 HydrophobicContact CB-CG 4.25Å; L77-F84 HydrophobicContact CD2-CE2 4.23Å; L77-W91 HydrophobicContact CB-CZ3 4.42Å; L77-W91 HydrophobicContact CD1-CZ3 4.32Å; L77-V95 HydrophobicContact CD1-CG2 3.92Å |
| 78 | M | 96.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 22% | 0.222 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 173.6 | -67.6 | -175 | -59.7 | 0 | 0 | 112.2 | N74 D75 F84 R85 W91 | N74-M78 WeakPolarHBondContact O-CG 3.32Å; N74-M78 PolarHBondContact O-N 2.71Å; D75-M78 HydrophobicContact CB-CE 4.46Å; D75-M78 PolarHBondContact O-N 2.84Å; D75-M78 WeakPolarHBondContact OD1-CE 3.46Å; M78-F84 HydrophobicContact CG-CB 4.22Å; M78-R85 VanDerWaalsContact O-CG 3.28Å; M78-R85 WeakPolarHBondContact O-CG 3.5Å; M78-R85 PolarHBondContact O-NE 3.01Å; M78-W91 HydrophobicContact CG-CH2 3.74Å; M78-W91 HydrophobicContact CG-CZ2 3.69Å; M78-W91 HydrophobicContact SD-CH2 4.17Å; M78-W91 HydrophobicContact SD-CZ2 3.9Å |
| 79 | K | 96.3 | Very high | 95.1 | Very high | 149 Ų | 149 | 60.3 Ų | 60.3 | 65% | 0.648 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64 | -56.1 | 175.8 | -72.7 | 162.8 | -174.4 | 171.7 | 0 | 110.7 | D75 Y76 R85 | D75-K79 WeakPolarHBondContact O-CB 3.4Å; D75-K79 WeakPolarHBondContact O-CD 3.27Å; D75-K79 WeakPolarHBondContact O-CG 3.38Å; D75-K79 PolarHBondContact O-N 2.88Å; Y76-K79 PolarHBondContact O-N 2.67Å; K79-R85 PolarHBondContact O-NH2 3.47Å |
| 80 | K | 94.8 | Very high | 95 | Very high | 93 Ų | 93 | 61.1 Ų | 61.1 | 40% | 0.404 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -77.9 | -37.8 | -171.3 | -165.3 | 166.5 | -170.8 | 167.3 | 0 | 114.8 | E62 Y76 | E62-K80 IonicContact OE1-NZ 2.66Å; E62-K80 PolarHBondContact OE1-NZ 3.07Å; E62-K80 IonicContact OE2-NZ 2.67Å; E62-K80 PolarHBondContact OE2-NZ 2.95Å; Y76-K80 HydrophobicContact CE1-CB 4.42Å; Y76-K80 HydrophobicContact CE1-CD 4.09Å; Y76-K80 HydrophobicContact CE2-CD 4.21Å; Y76-K80 WeakPolarHBondContact O-CB 3.49Å; Y76-K80 PolarHBondContact O-N 2.92Å; Y76-K80 WeakPolarHBondContact OH-CD 3.47Å; Y76-K80 PolarHBondContact OH-NZ 3.42Å |
| 81 | F | 93.6 | Very high | 94.9 | Very high | 28 Ų | 28 | 59 Ų | 59 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | trans | -118.8 | 111.5 | -175.3 | -55.9 | -79.1 | 0 | 0 | 0 | 111.9 | P48 Y50 L55 M58 L77 F83 F84 | P48-F81 HydrophobicContact CB-CD1 4.09Å; P48-F81 HydrophobicContact CB-CE1 4.34Å; P48-F81 HydrophobicContact CG-CB 3.95Å; P48-F81 HydrophobicContact CG-CD1 3.71Å; P48-F81 HydrophobicContact CG-CE1 4.44Å; P48-F81 HydrophobicContact CG-CG 3.9Å; Y50-F81 HydrophobicContact CD2-CE1 4.21Å; Y50-F81 HydrophobicContact CD2-CZ 4.28Å; Y50-F81 HydrophobicContact CE2-CE1 4.01Å; Y50-F81 HydrophobicContact CE2-CZ 4.27Å; L55-F81 HydrophobicContact CD2-CD2 3.78Å; L55-F81 HydrophobicContact CD2-CE1 4.4Å; L55-F81 HydrophobicContact CD2-CE2 3.38Å; L55-F81 HydrophobicContact CD2-CG 4.44Å; L55-F81 HydrophobicContact CD2-CZ 3.73Å; M58-F81 HydrophobicContact CE-CE2 4.38Å; M58-F81 HydrophobicContact CE-CZ 3.9Å; L77-F81 HydrophobicContact CD2-CD2 4.02Å; L77-F81 HydrophobicContact CD2-CE2 4.14Å; L77-F81 PolarHBondContact O-N 3.08Å; F81-F83 PolarHBondContact O-N 3.05Å; F81-F84 HydrophobicContact CB-CD2 3.79Å; F81-F84 HydrophobicContact CB-CE2 3.99Å; F81-F84 HydrophobicContact CD2-CD2 4.45Å; F81-F84 HydrophobicContact CD2-CE2 4.22Å; F81-F84 HydrophobicContact CG-CE2 4.36Å; F81-F84 PolarHBondContact O-N 3.23Å; F81-F84 VanDerWaalsContact O-N 3.1Å | ||
| 82 | P | 93 | Very high | 94.9 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -55 | -22 | 180 | -30.6 | 37.4 | 0 | 0 | 0 | 115.9 | R45 F84 R85 | R45-P82 WeakPolarHBondContact CD-O 3.11Å; P82-F84 VanDerWaalsContact C-N 3.26Å; P82-F84 PolarHBondContact O-N 2.8Å; P82-R85 PolarHBondContact O-N 3.05Å |
| 83 | F | 92.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 23% | 0.232 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -60.2 | -27.6 | 175.8 | 171.8 | -104.9 | 0 | 0 | 0 | 114.5 | R45 K47 P48 F81 | R45-F83 VanDerWaalsContact O-CD2 3.25Å; R45-F83 WeakPolarHBondContact O-CD2 3.5Å; K47-F83 HydrophobicContact CB-CD2 4.25Å; K47-F83 HydrophobicContact CB-CE1 4.49Å; K47-F83 HydrophobicContact CB-CE2 4.05Å; K47-F83 HydrophobicContact CB-CZ 4.18Å; K47-F83 HydrophobicContact CD-CE1 4.22Å; K47-F83 HydrophobicContact CD-CZ 3.96Å; K47-F83 HydrophobicContact CG-CD1 4.28Å; K47-F83 HydrophobicContact CG-CE1 3.88Å; K47-F83 HydrophobicContact CG-CE2 4.27Å; K47-F83 HydrophobicContact CG-CZ 3.88Å; P48-F83 HydrophobicContact CG-CB 4.43Å; F81-F83 PolarHBondContact O-N 3.05Å |
| 84 | F | 94.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -90.3 | -1.8 | -179.8 | -60.2 | -61.8 | 0 | 0 | 0 | 113.8 | P48 Y52 L55 L77 M78 F81 P82 W91 | P48-F84 HydrophobicContact CG-CE2 4.3Å; Y52-F84 HydrophobicContact CE1-CE1 4.08Å; Y52-F84 HydrophobicContact CE1-CZ 4.31Å; L55-F84 HydrophobicContact CD1-CE2 4.03Å; L55-F84 HydrophobicContact CD1-CZ 3.67Å; L55-F84 HydrophobicContact CD2-CE2 4.32Å; L77-F84 HydrophobicContact CB-CD2 3.73Å; L77-F84 HydrophobicContact CB-CE2 4.24Å; L77-F84 HydrophobicContact CB-CG 4.25Å; L77-F84 HydrophobicContact CD2-CE2 4.23Å; M78-F84 HydrophobicContact CG-CB 4.22Å; F81-F84 HydrophobicContact CB-CD2 3.79Å; F81-F84 HydrophobicContact CB-CE2 3.99Å; F81-F84 HydrophobicContact CD2-CD2 4.45Å; F81-F84 HydrophobicContact CD2-CE2 4.22Å; F81-F84 HydrophobicContact CG-CE2 4.36Å; F81-F84 PolarHBondContact O-N 3.23Å; F81-F84 VanDerWaalsContact O-N 3.1Å; P82-F84 VanDerWaalsContact C-N 3.26Å; P82-F84 PolarHBondContact O-N 2.8Å; F84-W91 HydrophobicContact CB-CD2 4.21Å; F84-W91 HydrophobicContact CB-CH2 4.19Å; F84-W91 HydrophobicContact CB-CZ2 3.87Å; F84-W91 HydrophobicContact CB-CZ3 4.49Å; F84-W91 HydrophobicContact CD1-CB 3.96Å; F84-W91 AromaticContact CD1-CD2 3.5Å; F84-W91 HydrophobicContact CD1-CD2 3.5Å; F84-W91 AromaticContact CD1-CE3 3.77Å; F84-W91 HydrophobicContact CD1-CE3 3.77Å; F84-W91 AromaticContact CD1-CG 3.59Å; F84-W91 HydrophobicContact CD1-CG 3.59Å; F84-W91 HydrophobicContact CD1-CZ3 4.45Å; F84-W91 HydrophobicContact CE1-CB 4.03Å; F84-W91 HydrophobicContact CE1-CD2 4.28Å; F84-W91 HydrophobicContact CE1-CE3 4.33Å; F84-W91 HydrophobicContact CE1-CG 4.17Å; F84-W91 HydrophobicContact CG-CD2 4.19Å; F84-W91 HydrophobicContact CG-CE3 4.29Å; F84-W91 WeakPolarHBondContact O-CZ2 3.5Å; F84-W91 PolarHBondContact O-NE1 3.01Å |
| 85 | R | 93.1 | Very high | 94.9 | Very high | 134 Ų | 134 | 62.4 Ų | 62.4 | 51% | 0.506 | 33% | 0.329 | S | S | . | . | trans | -86.3 | 143.9 | 179.5 | -55.3 | -179.9 | -170.4 | 170.5 | 3 | 111.2 | M78 K79 P82 | M78-R85 VanDerWaalsContact O-CG 3.28Å; M78-R85 WeakPolarHBondContact O-CG 3.5Å; M78-R85 PolarHBondContact O-NE 3.01Å; K79-R85 PolarHBondContact O-NH2 3.47Å; P82-R85 PolarHBondContact O-N 3.05Å | ||
| 86 | G | 91.4 | Very high | 94.8 | Very high | 64 Ų | 64 | 65 Ų | 65 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 116.8 | -170.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y88 | G86-Y88 PolarHBondContact O-N 2.86Š|
| 87 | S | 90.7 | Very high | 94.8 | Very high | 123 Ų | 123 | 68.1 Ų | 68.1 | 86% | 0.86 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -73.3 | -21.7 | -176.1 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | T89 | S87-T89 PolarHBondContact O-N 3.5Š|
| 88 | Y | 92 | Very high | 94.8 | Very high | 139 Ų | 139 | 69.4 Ų | 69.4 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | trans | -74.3 | 108.4 | 178.3 | 178 | -104.8 | 0 | 0 | 0 | 111.3 | G86 W91 | G86-Y88 PolarHBondContact O-N 2.86Å; Y88-W91 AromaticContact CD1-CD1 3.95Å; Y88-W91 PolarHBondContact O-NE1 3.3Å | ||
| 89 | T | 94.2 | Very high | 94.8 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | trans | -103.6 | -2.6 | -177.3 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | S87 W91 R92 | S87-T89 PolarHBondContact O-N 3.5Å; T89-W91 PolarHBondContact O-N 3.34Å; T89-R92 VanDerWaalsContact O-CB 3.25Å; T89-R92 WeakPolarHBondContact O-CB 3.23Å; T89-R92 WeakPolarHBondContact O-CG 3.33Å; T89-R92 PolarHBondContact O-N 3.35Å | ||
| 90 | G | 95 | Very high | 94.7 | Very high | 29 Ų | 29 | 64.7 Ų | 64.7 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R92 N93 | G90-R92 PolarHBondContact O-N 3Å; G90-N93 WeakPolarHBondContact O-CB 3.32Å; G90-N93 PolarHBondContact O-N 3.5Å; G90-N93 VanDerWaalsContact O-N 3.11Å |
| 91 | W | 95.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.019 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -28.8 | 172.2 | 60.6 | -94.8 | 0 | 0 | 0 | 113.5 | N74 L77 M78 F84 Y88 T89 N93 S94 V95 | N74-W91 HydrophobicContact CB-CH2 3.96Å; N74-W91 HydrophobicContact CB-CZ3 4.16Å; N74-W91 WeakPolarHBondContact OD1-CZ3 3.41Å; L77-W91 HydrophobicContact CB-CZ3 4.42Å; L77-W91 HydrophobicContact CD1-CZ3 4.32Å; M78-W91 HydrophobicContact CG-CH2 3.74Å; M78-W91 HydrophobicContact CG-CZ2 3.69Å; M78-W91 HydrophobicContact SD-CH2 4.17Å; M78-W91 HydrophobicContact SD-CZ2 3.9Å; F84-W91 HydrophobicContact CB-CD2 4.21Å; F84-W91 HydrophobicContact CB-CH2 4.19Å; F84-W91 HydrophobicContact CB-CZ2 3.87Å; F84-W91 HydrophobicContact CB-CZ3 4.49Å; F84-W91 HydrophobicContact CD1-CB 3.96Å; F84-W91 AromaticContact CD1-CD2 3.5Å; F84-W91 HydrophobicContact CD1-CD2 3.5Å; F84-W91 AromaticContact CD1-CE3 3.77Å; F84-W91 HydrophobicContact CD1-CE3 3.77Å; F84-W91 AromaticContact CD1-CG 3.59Å; F84-W91 HydrophobicContact CD1-CG 3.59Å; F84-W91 HydrophobicContact CD1-CZ3 4.45Å; F84-W91 HydrophobicContact CE1-CB 4.03Å; F84-W91 HydrophobicContact CE1-CD2 4.28Å; F84-W91 HydrophobicContact CE1-CE3 4.33Å; F84-W91 HydrophobicContact CE1-CG 4.17Å; F84-W91 HydrophobicContact CG-CD2 4.19Å; F84-W91 HydrophobicContact CG-CE3 4.29Å; F84-W91 WeakPolarHBondContact O-CZ2 3.5Å; F84-W91 PolarHBondContact O-NE1 3.01Å; Y88-W91 AromaticContact CD1-CD1 3.95Å; Y88-W91 PolarHBondContact O-NE1 3.3Å; T89-W91 PolarHBondContact O-N 3.34Å; W91-N93 PolarHBondContact O-N 2.76Å; W91-S94 WeakPolarHBondContact O-CB 3.27Å; W91-S94 PolarHBondContact O-N 2.78Å; W91-V95 HydrophobicContact CE3-CG2 3.99Å; W91-V95 HydrophobicContact CZ3-CG2 4.28Å; W91-V95 PolarHBondContact O-N 2.93Å |
| 92 | R | 96.8 | Very high | 94.6 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 33% | 0.328 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.7 | -30.7 | 175.8 | -62.7 | -175.1 | 170.3 | -178.8 | -7.5 | 111.7 | T89 G90 V95 R96 | T89-R92 VanDerWaalsContact O-CB 3.25Å; T89-R92 WeakPolarHBondContact O-CB 3.23Å; T89-R92 WeakPolarHBondContact O-CG 3.33Å; T89-R92 PolarHBondContact O-N 3.35Å; G90-R92 PolarHBondContact O-N 3Å; R92-V95 PolarHBondContact O-N 3Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 3.17Å; R92-R96 VanDerWaalsContact O-N 3.09Å |
| 93 | N | 97 | Very high | 94.5 | Very high | 95 Ų | 95 | 69.3 Ų | 69.3 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 173.9 | -162.9 | 42.2 | 0 | 0 | 0 | 111.4 | G90 W91 V95 R96 H97 | G90-N93 WeakPolarHBondContact O-CB 3.32Å; G90-N93 PolarHBondContact O-N 3.5Å; G90-N93 VanDerWaalsContact O-N 3.11Å; W91-N93 PolarHBondContact O-N 2.76Å; N93-V95 VanDerWaalsContact C-N 3.32Å; N93-V95 PolarHBondContact O-N 2.63Å; N93-R96 PolarHBondContact O-N 3.33Å; N93-R96 PolarHBondContact OD1-NH2 3.31Å; N93-H97 VanDerWaalsContact O-CB 3.32Å; N93-H97 WeakPolarHBondContact O-CB 3.42Å; N93-H97 PolarHBondContact O-N 2.97Å |
| 94 | S | 97.1 | Very high | 94.5 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 173.7 | -49.7 | 0 | 0 | 0 | 0 | 112.4 | Y52 W91 N98 | Y52-S94 PolarHBondContact OH-OG 2.69Å; W91-S94 WeakPolarHBondContact O-CB 3.27Å; W91-S94 PolarHBondContact O-N 2.78Å; S94-N98 WeakPolarHBondContact O-CB 3.48Å; S94-N98 PolarHBondContact O-N 2.76Å; S94-N98 PolarHBondContact O-ND2 3.27Å |
| 95 | V | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.8 | -54.1 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | Y52 I56 L70 I73 L77 W91 R92 N93 H97 N98 L99 | Y52-V95 HydrophobicContact CD1-CG2 4.3Å; I56-V95 HydrophobicContact CD1-CG1 4.27Å; I56-V95 HydrophobicContact CG1-CG1 4.37Å; L70-V95 HydrophobicContact CD1-CG1 3.99Å; I73-V95 HydrophobicContact CG2-CG1 3.87Å; L77-V95 HydrophobicContact CD1-CG2 3.92Å; W91-V95 HydrophobicContact CE3-CG2 3.99Å; W91-V95 HydrophobicContact CZ3-CG2 4.28Å; W91-V95 PolarHBondContact O-N 2.93Å; R92-V95 PolarHBondContact O-N 3Å; N93-V95 VanDerWaalsContact C-N 3.32Å; N93-V95 PolarHBondContact O-N 2.63Å; V95-H97 VanDerWaalsContact C-N 3.34Å; V95-H97 PolarHBondContact O-N 3.3Å; V95-N98 PolarHBondContact O-N 3.08Å; V95-N98 VanDerWaalsContact O-N 3.15Å; V95-L99 HydrophobicContact CG1-CD1 4.19Å; V95-L99 WeakPolarHBondContact O-CG 3.15Å; V95-L99 PolarHBondContact O-N 3.47Å |
| 96 | R | 97.2 | Very high | 94.6 | Very high | 123 Ų | 123 | 65.2 Ų | 65.2 | 46% | 0.464 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.4 | -49.6 | 176.5 | -70.9 | -172.4 | -57.9 | -118.1 | 5.6 | 112.4 | L70 R92 N93 N98 L99 S100 | L70-R96 HydrophobicContact CD1-CG 3.88Å; L70-R96 HydrophobicContact CD2-CG 3.7Å; L70-R96 HydrophobicContact CG-CG 4.46Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 3.17Å; R92-R96 VanDerWaalsContact O-N 3.09Å; N93-R96 PolarHBondContact O-N 3.33Å; N93-R96 PolarHBondContact OD1-NH2 3.31Å; R96-N98 VanDerWaalsContact C-N 3.33Å; R96-N98 PolarHBondContact O-N 3.05Å; R96-L99 WeakPolarHBondContact O-CB 2.99Å; R96-L99 PolarHBondContact O-N 3.45Å; R96-S100 PolarHBondContact O-N 2.91Å; R96-S100 PolarHBondContact O-OG 3.5Å |
| 97 | H | 97.3 | Very high | 94.8 | Very high | 101 Ų | 101 | 67 Ų | 67 | 47% | 0.468 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 179.9 | 170.3 | 67.9 | 0 | 0 | 0 | 112.7 | N93 V95 S100 L101 | N93-H97 VanDerWaalsContact O-CB 3.32Å; N93-H97 WeakPolarHBondContact O-CB 3.42Å; N93-H97 PolarHBondContact O-N 2.97Å; V95-H97 VanDerWaalsContact C-N 3.34Å; V95-H97 PolarHBondContact O-N 3.3Å; H97-S100 PolarHBondContact O-N 3.37Å; H97-S100 PolarHBondContact O-OG 3.09Å; H97-L101 WeakPolarHBondContact CE1-CD1 3.09Å; H97-L101 WeakPolarHBondContact O-CB 3.35Å; H97-L101 PolarHBondContact O-N 3.09Å |
| 98 | N | 96.6 | Very high | 95 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72 | -32.9 | 177.5 | -84 | -112 | 0 | 0 | 0 | 112.5 | I56 S94 V95 R96 N102 | I56-N98 HydrophobicContact CD1-CB 3.96Å; S94-N98 WeakPolarHBondContact O-CB 3.48Å; S94-N98 PolarHBondContact O-N 2.76Å; S94-N98 PolarHBondContact O-ND2 3.27Å; V95-N98 PolarHBondContact O-N 3.08Å; V95-N98 VanDerWaalsContact O-N 3.15Å; R96-N98 VanDerWaalsContact C-N 3.33Å; R96-N98 PolarHBondContact O-N 3.05Å; N98-N102 PolarHBondContact O-N 2.87Å; N98-N102 PolarHBondContact O-ND2 2.93Å |
| 99 | L | 96.1 | Very high | 95 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 173.3 | -69.6 | 167.8 | 0 | 0 | 0 | 111.9 | I56 L70 I73 V95 R96 F105 W122 | I56-L99 HydrophobicContact CD1-CD2 4.11Å; I56-L99 HydrophobicContact CD1-CG 4.09Å; I56-L99 HydrophobicContact CG2-CD2 3.69Å; L70-L99 HydrophobicContact CD1-CD1 3.85Å; I73-L99 HydrophobicContact CD1-CD1 4.27Å; I73-L99 HydrophobicContact CD1-CD2 4.19Å; V95-L99 HydrophobicContact CG1-CD1 4.19Å; V95-L99 WeakPolarHBondContact O-CG 3.15Å; V95-L99 PolarHBondContact O-N 3.47Å; R96-L99 WeakPolarHBondContact O-CB 2.99Å; R96-L99 PolarHBondContact O-N 3.45Å; L99-F105 HydrophobicContact CD2-CB 4.15Å; L99-F105 HydrophobicContact CD2-CD1 4.33Å; L99-F105 HydrophobicContact CD2-CD2 4.21Å; L99-F105 HydrophobicContact CD2-CG 3.95Å; L99-W122 HydrophobicContact CB-CD2 4.05Å; L99-W122 HydrophobicContact CB-CE3 4.01Å; L99-W122 HydrophobicContact CB-CH2 3.88Å; L99-W122 HydrophobicContact CB-CZ2 3.94Å; L99-W122 HydrophobicContact CB-CZ3 3.93Å; L99-W122 HydrophobicContact CD1-CD2 4.22Å; L99-W122 HydrophobicContact CD1-CG 4.24Å; L99-W122 HydrophobicContact CD2-CB 4.07Å; L99-W122 HydrophobicContact CD2-CD2 3.82Å; L99-W122 HydrophobicContact CD2-CE3 4.01Å; L99-W122 HydrophobicContact CD2-CG 3.84Å; L99-W122 HydrophobicContact CG-CD2 4.25Å; L99-W122 WeakPolarHBondContact O-CZ3 3.39Å |
| 100 | S | 95.2 | Very high | 94.7 | Very high | 93 Ų | 93 | 64 Ų | 64 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -87.4 | -16.5 | -178.8 | 62.1 | 0 | 0 | 0 | 0 | 115.4 | R96 H97 | R96-S100 PolarHBondContact O-N 2.91Å; R96-S100 PolarHBondContact O-OG 3.5Å; H97-S100 PolarHBondContact O-N 3.37Å; H97-S100 PolarHBondContact O-OG 3.09Å |
| 101 | L | 93.9 | Very high | 94.3 | Very high | 102 Ų | 102 | 65.5 Ų | 65.5 | 53% | 0.534 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -96.2 | -26.4 | -175.9 | -179.6 | 146.6 | 0 | 0 | 0 | 113.9 | H97 | H97-L101 WeakPolarHBondContact CE1-CD1 3.09Å; H97-L101 WeakPolarHBondContact O-CB 3.35Å; H97-L101 PolarHBondContact O-N 3.09Å |
| 102 | N | 92 | Very high | 93.8 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 17% | 0.171 | 36% | 0.359 | C | S | . | . | trans | -112.8 | 123 | -170.8 | -55.4 | -93.1 | 0 | 0 | 0 | 111 | I53 N98 C104 F105 | I53-N102 VanDerWaalsContact CD1-OD1 3.26Å; I53-N102 WeakPolarHBondContact CD1-OD1 3.32Å; N98-N102 PolarHBondContact O-N 2.87Å; N98-N102 PolarHBondContact O-ND2 2.93Å; N102-C104 HydrophobicContact CB-CB 4.28Å; N102-C104 PolarHBondContact O-N 3.39Å; N102-F105 HydrophobicContact CB-CD2 4.36Å; N102-F105 PolarHBondContact O-N 2.91Å | ||
| 103 | D | 91.1 | Very high | 93.2 | Very high | 134 Ų | 134 | 70.8 Ų | 70.8 | 72% | 0.717 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -1.2 | 176.2 | -50.1 | -52.4 | 0 | 0 | 0 | 114.2 | F105 N125 | D103-F105 PolarHBondContact O-N 2.86Å; D103-N125 WeakPolarHBondContact O-CB 3.28Å; D103-N125 PolarHBondContact O-ND2 3.18Å |
| 104 | C | 91.8 | Very high | 92.6 | Very high | 21 Ų | 21 | 74.7 Ų | 74.7 | 14% | 0.142 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.2 | 164.9 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | I53 N102 L124 N125 | I53-C104 HydrophobicContact CG2-CB 4.28Å; N102-C104 HydrophobicContact CB-CB 4.28Å; N102-C104 PolarHBondContact O-N 3.39Å; C104-L124 WeakPolarHBondContact O-CA 3.42Å; C104-N125 PolarHBondContact O-N 3.11Å |
| 105 | F | 94.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 76 Ų | 76 | 4% | 0.044 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.5 | -175.1 | -54.2 | -63.3 | 0 | 0 | 0 | 112.2 | I53 I56 I60 L99 N102 D103 W122 M123 L124 | I53-F105 HydrophobicContact CB-CE2 4.36Å; I53-F105 HydrophobicContact CB-CZ 4.37Å; I53-F105 HydrophobicContact CG1-CE2 4.47Å; I53-F105 HydrophobicContact CG2-CE2 3.95Å; I53-F105 HydrophobicContact CG2-CZ 3.8Å; I56-F105 HydrophobicContact CB-CE1 3.9Å; I56-F105 HydrophobicContact CB-CE2 4.38Å; I56-F105 HydrophobicContact CB-CZ 3.67Å; I56-F105 HydrophobicContact CD1-CE2 4.18Å; I56-F105 HydrophobicContact CD1-CZ 4.32Å; I56-F105 HydrophobicContact CG2-CD1 3.86Å; I56-F105 HydrophobicContact CG2-CE1 3.35Å; I56-F105 HydrophobicContact CG2-CE2 4.29Å; I56-F105 HydrophobicContact CG2-CZ 3.6Å; I60-F105 HydrophobicContact CD1-CD1 4.01Å; I60-F105 HydrophobicContact CD1-CE1 4.21Å; L99-F105 HydrophobicContact CD2-CB 4.15Å; L99-F105 HydrophobicContact CD2-CD1 4.33Å; L99-F105 HydrophobicContact CD2-CD2 4.21Å; L99-F105 HydrophobicContact CD2-CG 3.95Å; N102-F105 HydrophobicContact CB-CD2 4.36Å; N102-F105 PolarHBondContact O-N 2.91Å; D103-F105 PolarHBondContact O-N 2.86Å; F105-W122 HydrophobicContact CB-CE3 3.97Å; F105-W122 HydrophobicContact CB-CZ3 4.37Å; F105-M123 CarbonylContact C-O 3.57Å; F105-M123 WeakPolarHBondContact CA-O 3.25Å; F105-L124 HydrophobicContact CD1-CD2 4.02Å; F105-L124 HydrophobicContact CE1-CD2 3.64Å |
| 106 | L | 94.7 | Very high | 90.9 | Very high | 72 Ų | 72 | 87.7 Ų | 87.7 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.1 | 175.3 | -57 | -179.3 | 0 | 0 | 0 | 110.2 | V108 W122 M123 N125 | L106-V108 PolarHBondContact O-N 3.18Å; L106-W122 WeakPolarHBondContact O-CA 3.36Å; L106-M123 PolarHBondContact N-O 3.3Å; L106-M123 PolarHBondContact O-N 3.05Å; L106-N125 HydrophobicContact CD1-CB 4.04Å; L106-N125 HydrophobicContact CD2-CB 3.94Å; L106-N125 HydrophobicContact CG-CB 3.73Å |
| 107 | K | 95.4 | Very high | 89.9 | Confident | 102 Ų | 102 | 83.2 Ų | 83.2 | 44% | 0.443 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 109.2 | 167.7 | -175.6 | -163.3 | 170.2 | -161.9 | 0 | 108.7 | P115 N120 W122 | K107-P115 PolarHBondContact NZ-O 3.06Å; K107-N120 WeakPolarHBondContact CE-ND2 3.49Å; K107-N120 HydrophobicContact CG-CB 4.21Å; K107-N120 PolarHBondContact NZ-ND2 3.21Å; K107-W122 HydrophobicContact CB-CE3 4.18Å; K107-W122 HydrophobicContact CB-CH2 3.88Å; K107-W122 HydrophobicContact CB-CZ2 4.28Å; K107-W122 HydrophobicContact CB-CZ3 3.81Å; K107-W122 HydrophobicContact CG-CH2 4.39Å; K107-W122 HydrophobicContact CG-CZ2 4.33Å |
| 108 | V | 93.9 | Very high | 88.8 | Confident | 45 Ų | 45 | 87.3 Ų | 87.3 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.3 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | L106 R110 Y121 M123 | L106-V108 PolarHBondContact O-N 3.18Å; V108-R110 PolarHBondContact O-N 2.82Å; V108-Y121 PolarHBondContact N-O 3.42Å; V108-Y121 PolarHBondContact O-N 2.98Å; V108-M123 HydrophobicContact CB-SD 4.43Å; V108-M123 HydrophobicContact CG2-CB 4.24Å; V108-M123 HydrophobicContact CG2-CG 3.98Å; V108-M123 HydrophobicContact CG2-SD 3.78Å |
| 109 | L | 93.2 | Very high | 88.3 | Confident | 68 Ų | 68 | 90.1 Ų | 90.1 | 36% | 0.356 | 46% | 0.457 | S | S | . | . | trans | -68.2 | 132 | -178.3 | -61.4 | -174.6 | 0 | 0 | 0 | 111.1 | P115 N120 | L109-P115 HydrophobicContact CD1-CB 3.81Å; L109-P115 HydrophobicContact CD2-CB 4.23Å; L109-N120 VanDerWaalsContact CA-OD1 3.28Å; L109-N120 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 110 | R | 88.3 | Confident | 88.3 | Confident | 161 Ų | 161 | 90.5 Ų | 90.5 | 61% | 0.608 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -77.4 | -32.6 | 174.1 | -179.9 | 167.1 | -171.7 | -78.2 | -1.7 | 112.2 | V108 N120 Y121 | V108-R110 PolarHBondContact O-N 2.82Å; R110-N120 PolarHBondContact N-OD1 3.47Å; R110-Y121 HydrophobicContact CB-CD2 4.06Å; R110-Y121 HydrophobicContact CB-CE2 3.95Å; R110-Y121 HydrophobicContact CG-CD2 4.36Å; R110-Y121 HydrophobicContact CG-CE2 3.72Å; R110-Y121 PolarHBondContact NE-OH 3.46Å |
| 111 | D | 86.5 | Confident | 88.3 | Confident | 59 Ų | 59 | 88.3 Ų | 88.3 | 32% | 0.316 | 44% | 0.437 | S | S | . | . | trans | -137.3 | 112.5 | 176.2 | 173.1 | -1.2 | 0 | 0 | 0 | 107.4 | S113 R114 | D111-S113 VanDerWaalsContact CG-OG 3.22Å; D111-S113 PolarHBondContact O-N 2.86Å; D111-S113 WeakPolarHBondContact OD1-CA 3.45Å; D111-S113 WeakPolarHBondContact OD1-CB 3.5Å; D111-S113 PolarHBondContact OD1-N 2.94Å; D111-S113 PolarHBondContact OD1-OG 3.37Å; D111-S113 PolarHBondContact OD2-OG 2.99Å; D111-S113 VanDerWaalsContact OD2-OG 3.12Å; D111-R114 HydrophobicContact CB-CB 4.34Å; D111-R114 CarbonylContact O-C 3.39Å; D111-R114 PolarHBondContact O-N 3.01Å; D111-R114 WeakPolarHBondContact OD2-CG 3.26Å | ||
| 112 | P | 83.8 | Confident | 88.4 | Confident | 112 Ų | 112 | 85.4 Ų | 85.4 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.8 | 178.5 | -25.5 | 35.5 | 0 | 0 | 0 | 114 | R114 | P112-R114 VanDerWaalsContact C-N 3.28Å; P112-R114 PolarHBondContact O-N 2.83Å |
| 113 | S | 85.4 | Confident | 88.6 | Confident | 92 Ų | 92 | 86.8 Ų | 86.8 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -16 | 177.3 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | D111 | D111-S113 VanDerWaalsContact CG-OG 3.22Å; D111-S113 PolarHBondContact O-N 2.86Å; D111-S113 WeakPolarHBondContact OD1-CA 3.45Å; D111-S113 WeakPolarHBondContact OD1-CB 3.5Å; D111-S113 PolarHBondContact OD1-N 2.94Å; D111-S113 PolarHBondContact OD1-OG 3.37Å; D111-S113 PolarHBondContact OD2-OG 2.99Å; D111-S113 VanDerWaalsContact OD2-OG 3.12Å |
| 114 | R | 83.6 | Confident | 88.7 | Confident | 177 Ų | 177 | 81.5 Ų | 81.5 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | trans | -129 | 67.3 | -178 | -64.5 | -177.4 | -177.2 | -90.5 | -0.3 | 111.3 | D111 P112 W116 G117 | D111-R114 HydrophobicContact CB-CB 4.34Å; D111-R114 CarbonylContact O-C 3.39Å; D111-R114 PolarHBondContact O-N 3.01Å; D111-R114 WeakPolarHBondContact OD2-CG 3.26Å; P112-R114 VanDerWaalsContact C-N 3.28Å; P112-R114 PolarHBondContact O-N 2.83Å; R114-W116 PolarHBondContact O-N 3.25Å; R114-W116 VanDerWaalsContact O-N 3.12Å; R114-G117 WeakPolarHBondContact O-CA 3.42Å; R114-G117 PolarHBondContact O-N 3.15Å | ||
| 115 | P | 77.8 | Confident | 88.7 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.3 | -176.9 | 24.1 | -35 | 0 | 0 | 0 | 114.3 | K107 L109 G117 N120 | K107-P115 PolarHBondContact NZ-O 3.06Å; L109-P115 HydrophobicContact CD1-CB 3.81Å; L109-P115 HydrophobicContact CD2-CB 4.23Å; P115-G117 VanDerWaalsContact C-N 3.27Å; P115-G117 PolarHBondContact O-N 3.36Å; P115-N120 PolarHBondContact O-ND2 3.09Å |
| 116 | W | 80.6 | Confident | 88.4 | Confident | 244 Ų | 244 | 84.8 Ų | 84.8 | 92% | 0.924 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 9.1 | 174.6 | -126 | -94.7 | 0 | 0 | 0 | 114.4 | R114 | R114-W116 PolarHBondContact O-N 3.25Å; R114-W116 VanDerWaalsContact O-N 3.12Å |
| 117 | G | 75.7 | Confident | 87.9 | Confident | 30 Ų | 30 | 89.2 Ų | 89.2 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | trans | -53.9 | 141.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R114 P115 N120 | R114-G117 WeakPolarHBondContact O-CA 3.42Å; R114-G117 PolarHBondContact O-N 3.15Å; P115-G117 VanDerWaalsContact C-N 3.27Å; P115-G117 PolarHBondContact O-N 3.36Å; G117-N120 PolarHBondContact O-ND2 3.4Å | ||
| 118 | K | 75 | Confident | 87.1 | Confident | 187 Ų | 187 | 85 Ų | 85 | 81% | 0.813 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 148.3 | 157.5 | -139.2 | 178.5 | -173.4 | 177.7 | 0 | 108.1 | N120 | K118-N120 PolarHBondContact O-N 2.82Š|
| 119 | D | 87.1 | Confident | 85.7 | Confident | 84 Ų | 84 | 92 Ų | 92 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 41.5 | 168.6 | -44.3 | -50.5 | 0 | 0 | 0 | 114.9 | T69 | T69-D119 HydrophobicContact CG2-CB 4.32Š|
| 120 | N | 94.1 | Very high | 84.3 | Confident | 12 Ų | 12 | 91.1 Ų | 91.1 | 6% | 0.064 | 44% | 0.441 | C | S | . | . | trans | -64.1 | 151.7 | 160 | -78 | -60.1 | 0 | 0 | 0 | 111.6 | K107 L109 R110 P115 G117 K118 | K107-N120 WeakPolarHBondContact CE-ND2 3.49Å; K107-N120 HydrophobicContact CG-CB 4.21Å; K107-N120 PolarHBondContact NZ-ND2 3.21Å; L109-N120 VanDerWaalsContact CA-OD1 3.28Å; L109-N120 WeakPolarHBondContact CA-OD1 3.38Å; R110-N120 PolarHBondContact N-OD1 3.47Å; P115-N120 PolarHBondContact O-ND2 3.09Å; G117-N120 PolarHBondContact O-ND2 3.4Å; K118-N120 PolarHBondContact O-N 2.82Å | ||
| 121 | Y | 96 | Very high | 83 | Confident | 46 Ų | 46 | 85.7 Ų | 85.7 | 18% | 0.18 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 154.7 | -179.4 | -68.4 | -68 | 0 | 0 | 0 | 112.2 | R67 T69 V108 R110 | R67-Y121 HydrophobicContact CG-CD1 4.1Å; R67-Y121 HydrophobicContact CG-CG 4.28Å; T69-Y121 HydrophobicContact CG2-CD1 3.84Å; T69-Y121 HydrophobicContact CG2-CE1 3.77Å; V108-Y121 PolarHBondContact N-O 3.42Å; V108-Y121 PolarHBondContact O-N 2.98Å; R110-Y121 HydrophobicContact CB-CD2 4.06Å; R110-Y121 HydrophobicContact CB-CE2 3.95Å; R110-Y121 HydrophobicContact CG-CD2 4.36Å; R110-Y121 HydrophobicContact CG-CE2 3.72Å; R110-Y121 PolarHBondContact NE-OH 3.46Å |
| 122 | W | 96.4 | Very high | 81.3 | Confident | 42 Ų | 42 | 89.9 Ų | 89.9 | 16% | 0.159 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.6 | 169.4 | -65.1 | 90.6 | 0 | 0 | 0 | 109.7 | I60 R67 L68 I73 L99 F105 L106 K107 | I60-W122 HydrophobicContact CD1-CB 4.48Å; R67-W122 WeakPolarHBondContact CA-O 3.46Å; L68-W122 PolarHBondContact N-O 3.02Å; L68-W122 WeakPolarHBondContact O-CB 3.33Å; L68-W122 PolarHBondContact O-N 3.11Å; I73-W122 HydrophobicContact CD1-CB 4.2Å; L99-W122 HydrophobicContact CB-CD2 4.05Å; L99-W122 HydrophobicContact CB-CE3 4.01Å; L99-W122 HydrophobicContact CB-CH2 3.88Å; L99-W122 HydrophobicContact CB-CZ2 3.94Å; L99-W122 HydrophobicContact CB-CZ3 3.93Å; L99-W122 HydrophobicContact CD1-CD2 4.22Å; L99-W122 HydrophobicContact CD1-CG 4.24Å; L99-W122 HydrophobicContact CD2-CB 4.07Å; L99-W122 HydrophobicContact CD2-CD2 3.82Å; L99-W122 HydrophobicContact CD2-CE3 4.01Å; L99-W122 HydrophobicContact CD2-CG 3.84Å; L99-W122 HydrophobicContact CG-CD2 4.25Å; L99-W122 WeakPolarHBondContact O-CZ3 3.39Å; F105-W122 HydrophobicContact CB-CE3 3.97Å; F105-W122 HydrophobicContact CB-CZ3 4.37Å; L106-W122 WeakPolarHBondContact O-CA 3.36Å; K107-W122 HydrophobicContact CB-CE3 4.18Å; K107-W122 HydrophobicContact CB-CH2 3.88Å; K107-W122 HydrophobicContact CB-CZ2 4.28Å; K107-W122 HydrophobicContact CB-CZ3 3.81Å; K107-W122 HydrophobicContact CG-CH2 4.39Å; K107-W122 HydrophobicContact CG-CZ2 4.33Å |
| 123 | M | 95.4 | Very high | 79.8 | Confident | 61 Ų | 61 | 87.9 Ų | 87.9 | 30% | 0.3 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 156.4 | 178.3 | -69.9 | -172.8 | 67.3 | 0 | 0 | 110.1 | R67 F105 L106 V108 | R67-M123 HydrophobicContact CB-CE 4.46Å; R67-M123 HydrophobicContact CB-CG 3.34Å; R67-M123 HydrophobicContact CB-SD 3.84Å; F105-M123 CarbonylContact C-O 3.57Å; F105-M123 WeakPolarHBondContact CA-O 3.25Å; L106-M123 PolarHBondContact N-O 3.3Å; L106-M123 PolarHBondContact O-N 3.05Å; V108-M123 HydrophobicContact CB-SD 4.43Å; V108-M123 HydrophobicContact CG2-CB 4.24Å; V108-M123 HydrophobicContact CG2-CG 3.98Å; V108-M123 HydrophobicContact CG2-SD 3.78Å |
| 124 | L | 93.5 | Very high | 78 | Confident | 23 Ų | 23 | 91 Ų | 91 | 12% | 0.12 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 135.8 | 166.1 | -75.6 | 168.6 | 0 | 0 | 0 | 109.4 | A57 I60 R61 C104 F105 P126 T131 | A57-L124 HydrophobicContact CB-CD1 4.35Å; A57-L124 HydrophobicContact CB-CD2 3.93Å; I60-L124 HydrophobicContact CB-CD1 4.46Å; I60-L124 HydrophobicContact CB-CG 4.34Å; I60-L124 HydrophobicContact CD1-CG 4.47Å; I60-L124 HydrophobicContact CG2-CD1 4.3Å; I60-L124 HydrophobicContact CG2-CG 4.09Å; R61-L124 HydrophobicContact CG-CD1 3.61Å; C104-L124 WeakPolarHBondContact O-CA 3.42Å; F105-L124 HydrophobicContact CD1-CD2 4.02Å; F105-L124 HydrophobicContact CE1-CD2 3.64Å; L124-P126 WeakPolarHBondContact O-CD 3.12Å; L124-T131 HydrophobicContact CB-CG2 4.35Å |
| 125 | N | 92 | Very high | 76.6 | Confident | 22 Ų | 22 | 84.7 Ų | 84.7 | 12% | 0.118 | 43% | 0.434 | C | S | . | . | trans | -75.1 | 116.1 | 174.2 | -178.7 | 0.1 | 0 | 0 | 0 | 109.9 | D103 C104 L106 H127 S128 T131 | D103-N125 WeakPolarHBondContact O-CB 3.28Å; D103-N125 PolarHBondContact O-ND2 3.18Å; C104-N125 PolarHBondContact O-N 3.11Å; L106-N125 HydrophobicContact CD1-CB 4.04Å; L106-N125 HydrophobicContact CD2-CB 3.94Å; L106-N125 HydrophobicContact CG-CB 3.73Å; N125-H127 PolarHBondContact O-N 3.29Å; N125-H127 VanDerWaalsContact O-N 3.07Å; N125-H127 PolarHBondContact OD1-N 3.25Å; N125-H127 VanDerWaalsContact OD1-N 3.09Å; N125-H127 PolarHBondContact OD1-ND1 3.06Å; N125-H127 VanDerWaalsContact OD1-ND1 3.09Å; N125-S128 WeakPolarHBondContact O-CB 3.16Å; N125-S128 PolarHBondContact O-N 2.87Å; N125-S128 PolarHBondContact O-OG 3.05Å; N125-T131 PolarHBondContact O-OG1 2.86Å | ||
| 126 | P | 87.9 | Confident | 75.7 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 50% | 0.5 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.7 | -180 | -24.3 | 35.5 | 0 | 0 | 0 | 114.4 | L124 F132 | L124-P126 WeakPolarHBondContact O-CD 3.12Å; P126-F132 VanDerWaalsContact O-CE2 3.32Å; P126-F132 WeakPolarHBondContact O-CE2 3.35Å; P126-F132 WeakPolarHBondContact O-CZ 3.32Å |
| 127 | H | 83.4 | Confident | 74.7 | Confident | 166 Ų | 166 | 77.6 Ų | 77.6 | 77% | 0.769 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1.1 | -179.2 | -46.7 | 92.8 | 0 | 0 | 0 | 113.1 | N125 | N125-H127 PolarHBondContact O-N 3.29Å; N125-H127 VanDerWaalsContact O-N 3.07Å; N125-H127 PolarHBondContact OD1-N 3.25Å; N125-H127 VanDerWaalsContact OD1-N 3.09Å; N125-H127 PolarHBondContact OD1-ND1 3.06Å; N125-H127 VanDerWaalsContact OD1-ND1 3.09Å |
| 128 | S | 79.2 | Confident | 73.9 | Confident | 13 Ų | 13 | 85.5 Ų | 85.5 | 9% | 0.091 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -80.1 | 144.4 | 180 | 73.5 | 0 | 0 | 0 | 0 | 111.8 | N125 Y130 T131 | N125-S128 WeakPolarHBondContact O-CB 3.16Å; N125-S128 PolarHBondContact O-N 2.87Å; N125-S128 PolarHBondContact O-OG 3.05Å; S128-Y130 PolarHBondContact O-N 3.06Å; S128-T131 PolarHBondContact O-N 3.42Å; S128-T131 VanDerWaalsContact O-N 3.08Å; S128-T131 PolarHBondContact O-OG1 3.4Å; S128-T131 PolarHBondContact OG-OG1 3.12Å |
| 129 | E | 64.8 | Low | 73.1 | Confident | 193 Ų | 193 | 82.7 Ų | 82.7 | 90% | 0.902 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -55.9 | -22.2 | 170.2 | -164.9 | -172.6 | 171.5 | 0 | 0 | 111.7 | T131 | E129-T131 VanDerWaalsContact C-N 3.32Å; E129-T131 PolarHBondContact O-N 3Å |
| 130 | Y | 64.8 | Low | 71.9 | Confident | 48 Ų | 48 | 90.2 Ų | 90.2 | 19% | 0.188 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -75.8 | -12.7 | 179.6 | -149 | -93.8 | 0 | 0 | 0 | 114.8 | I53 A54 A57 S128 F132 V136 F137 | I53-Y130 HydrophobicContact CG2-CD1 3.99Å; I53-Y130 HydrophobicContact CG2-CD2 3.94Å; I53-Y130 HydrophobicContact CG2-CE1 4.05Å; I53-Y130 HydrophobicContact CG2-CE2 4.01Å; I53-Y130 HydrophobicContact CG2-CG 3.97Å; A54-Y130 WeakPolarHBondContact CA-OH 3.49Å; A54-Y130 VanDerWaalsContact CB-OH 3.24Å; A54-Y130 WeakPolarHBondContact CB-OH 3.22Å; A57-Y130 HydrophobicContact CB-CD1 3.94Å; A57-Y130 HydrophobicContact CB-CE1 3.56Å; S128-Y130 PolarHBondContact O-N 3.06Å; Y130-F132 VanDerWaalsContact C-N 3.34Å; Y130-F132 PolarHBondContact O-N 2.65Å; Y130-V136 PolarHBondContact OH-O 3.4Å; Y130-F137 HydrophobicContact CE1-CE1 4.41Å; Y130-F137 WeakPolarHBondContact OH-CD1 3.16Å |
| 131 | T | 60 | Low | 70.2 | Confident | 47 Ų | 47 | 100.6 Ų | 100.6 | 29% | 0.288 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -81.9 | -10 | -172.1 | -14.1 | 0 | 0 | 0 | 0 | 114.2 | L124 N125 S128 E129 | L124-T131 HydrophobicContact CB-CG2 4.35Å; N125-T131 PolarHBondContact O-OG1 2.86Å; S128-T131 PolarHBondContact O-N 3.42Å; S128-T131 VanDerWaalsContact O-N 3.08Å; S128-T131 PolarHBondContact O-OG1 3.4Å; S128-T131 PolarHBondContact OG-OG1 3.12Å; E129-T131 VanDerWaalsContact C-N 3.32Å; E129-T131 PolarHBondContact O-N 3Å |
| 132 | F | 50.7 | Low | 68.5 | Low | 147 Ų | 147 | 107.9 Ų | 107.9 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -127 | 139.9 | -168 | -56.9 | -78.7 | 0 | 0 | 0 | 113.1 | P126 Y130 | P126-F132 VanDerWaalsContact O-CE2 3.32Å; P126-F132 WeakPolarHBondContact O-CE2 3.35Å; P126-F132 WeakPolarHBondContact O-CZ 3.32Å; Y130-F132 VanDerWaalsContact C-N 3.34Å; Y130-F132 PolarHBondContact O-N 2.65Å |
| 133 | A | 51.3 | Low | 66.8 | Low | 71 Ų | 71 | 117.1 Ų | 117.1 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 53.8 | 112.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 134 | D | 48.9 | Very low | 65.2 | Low | 156 Ų | 156 | 121.7 Ų | 121.7 | 83% | 0.834 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | 55.5 | 73.3 | 121.7 | -48.9 | -29.8 | 0 | 0 | 0 | 119.1 | |||
| 135 | G | 54.6 | Low | 63.5 | Low | 45 Ų | 45 | 124.7 Ų | 124.7 | 46% | 0.464 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 113.8 | -10.4 | 149 | 0 | 0 | 0 | 0 | 0 | 116.6 | F137 | G135-F137 PolarHBondContact O-N 3.38Š|
| 136 | V | 59.1 | Low | 61.6 | Low | 108 Ų | 108 | 133.1 Ų | 133.1 | 66% | 0.655 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 16.1 | -179.1 | -153.3 | 0 | 0 | 0 | 0 | 113.6 | Y130 R138 | Y130-V136 PolarHBondContact OH-O 3.4Å; V136-R138 VanDerWaalsContact C-N 3.27Å; V136-R138 PolarHBondContact O-N 3.48Å |
| 137 | F | 57.9 | Low | 59.7 | Low | 51 Ų | 51 | 140.8 Ų | 140.8 | 22% | 0.224 | 65% | 0.652 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -26.2 | 171.2 | -53.3 | -66.2 | 0 | 0 | 0 | 112.7 | Y50 A54 Y130 G135 | Y50-F137 WeakPolarHBondContact CA-O 3.34Å; Y50-F137 HydrophobicContact CD1-CB 3.76Å; Y50-F137 WeakPolarHBondContact CD1-O 3.49Å; Y50-F137 HydrophobicContact CE1-CB 3.93Å; A54-F137 HydrophobicContact CB-CB 4.11Å; A54-F137 HydrophobicContact CB-CD1 4.13Å; A54-F137 WeakPolarHBondContact CB-O 3.46Å; Y130-F137 HydrophobicContact CE1-CE1 4.41Å; Y130-F137 WeakPolarHBondContact OH-CD1 3.16Å; G135-F137 PolarHBondContact O-N 3.38Å |
| 138 | R | 59.6 | Low | 57.8 | Low | 196 Ų | 196 | 135.7 Ų | 135.7 | 74% | 0.74 | 64% | 0.644 | S | S | * | * | B | Isolated β-bridge | trans | -73.2 | 131.6 | -178.7 | -59.5 | -176.7 | 76.9 | -159.2 | 8.1 | 110.8 | V136 R140 | V136-R138 VanDerWaalsContact C-N 3.27Å; V136-R138 PolarHBondContact O-N 3.48Å; R138-R140 PolarHBondContact O-N 2.79Å |
| 139 | R | 58.3 | Low | 56.1 | Low | 129 Ų | 129 | 140.7 Ų | 140.7 | 49% | 0.487 | 68% | 0.676 | S | S | . | * | trans | -59.9 | 109.6 | 179.9 | -169.5 | -175.8 | -52 | 134.4 | 15.6 | 111.4 | P49 Y50 R141 | P49-R139 PolarHBondContact O-N 3.39Å; Y50-R139 PolarHBondContact O-NH2 2.72Å; R139-R141 PolarHBondContact O-N 3.35Å | ||
| 140 | R | 62.7 | Low | 54.9 | Low | 241 Ų | 241 | 141 Ų | 141 | 91% | 0.909 | 67% | 0.674 | S | S | * | * | trans | -54.1 | 108.6 | 174.8 | -162.8 | 175 | -165.5 | 164.2 | 4.6 | 109.3 | R138 | R138-R140 PolarHBondContact O-N 2.79Š| ||
| 141 | R | 58.6 | Low | 53.8 | Low | 231 Ų | 231 | 147.3 Ų | 147.3 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | trans | -67 | 135.4 | 172.5 | -70 | -177.5 | 178.6 | 176.1 | -0.9 | 107.9 | R139 R143 | R139-R141 PolarHBondContact O-N 3.35Å; R141-R143 PolarHBondContact O-N 3.22Å | ||
| 142 | K | 60.3 | Low | 53 | Low | 199 Ų | 199 | 153.3 Ų | 153.3 | 87% | 0.865 | 73% | 0.73 | S | S | * | * | trans | -60.2 | 108.9 | 172.5 | -175 | 173.5 | -177.8 | 176.5 | 0 | 107.8 | I144 | K142-I144 PolarHBondContact O-N 3.17Š| ||
| 143 | R | 60 | Low | 52.4 | Low | 235 Ų | 235 | 155.5 Ų | 155.5 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | trans | -60.7 | 107.5 | 165.1 | -96.9 | 172.3 | 64.9 | 168.8 | -3.1 | 105.9 | R141 A145 | R141-R143 PolarHBondContact O-N 3.22Å; R143-A145 PolarHBondContact O-N 3.42Å | ||
| 144 | I | 61 | Low | 51.6 | Low | 157 Ų | 157 | 156.8 Ų | 156.8 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | trans | -57.2 | 120.8 | 157.3 | -62.6 | 171.7 | 0 | 0 | 0 | 104.4 | K142 K146 | K142-I144 PolarHBondContact O-N 3.17Å; I144-K146 PolarHBondContact O-N 3.45Å | ||
| 145 | A | 58.8 | Low | 51.5 | Low | 86 Ų | 86 | 155.2 Ų | 155.2 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | -73 | 81.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | R143 R147 | R143-A145 PolarHBondContact O-N 3.42Å; A145-R147 VanDerWaalsContact C-N 3.32Å; A145-R147 PolarHBondContact O-N 2.94Å | ||
| 146 | K | 51.6 | Low | 50.7 | Low | 200 Ų | 200 | 160.1 Ų | 160.1 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -58.4 | 102.9 | 162.6 | -163.6 | -176.6 | -172.9 | -170.2 | 0 | 105.4 | I144 G148 | I144-K146 PolarHBondContact O-N 3.45Å; K146-G148 PolarHBondContact O-N 2.98Å | ||
| 147 | R | 48.8 | Very low | 49.5 | Very low | 238 Ų | 238 | 161.6 Ų | 161.6 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 126.1 | 174.9 | -67.9 | -178.7 | 176.8 | -177.4 | -1.5 | 106.3 | A145 | A145-R147 VanDerWaalsContact C-N 3.32Å; A145-R147 PolarHBondContact O-N 2.94Å |
| 148 | G | 43.8 | Very low | 48.8 | Very low | 59 Ų | 59 | 166.5 Ų | 166.5 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 150.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | K146 K150 | K146-G148 PolarHBondContact O-N 2.98Å; G148-K150 PolarHBondContact O-N 2.86Å |
| 149 | P | 43.5 | Very low | 47.8 | Very low | 117 Ų | 117 | 163.4 Ų | 163.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 139.6 | 156.8 | -18.3 | 31.8 | 0 | 0 | 0 | 108.3 | E151 | P149-E151 PolarHBondContact O-N 2.77Š|
| 150 | K | 39.3 | Very low | 47 | Very low | 199 Ų | 199 | 166 Ų | 166 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | -78.6 | 106.2 | 157.8 | -73.9 | -175.7 | 174.2 | -171.2 | 0 | 105.6 | G148 | G148-K150 PolarHBondContact O-N 2.86Š| ||
| 151 | E | 41.3 | Very low | 45.7 | Very low | 182 Ų | 182 | 161.6 Ų | 161.6 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -70.3 | 140.4 | 161.5 | -76.8 | 164.3 | 168.5 | 0 | 0 | 107.9 | P149 | P149-E151 PolarHBondContact O-N 2.77Š| ||
| 152 | Q | 43.2 | Very low | 45 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -132 | 87.1 | -165 | 178.8 | 178.3 | -23.4 | 0 | 0 | 107.5 | ||||
| 153 | E | 37.5 | Very low | 43.8 | Very low | 194 Ų | 194 | 156.5 Ų | 156.5 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -91.7 | 113.9 | 176.7 | -68.4 | -166.6 | 137.6 | 0 | 0 | 110.7 | ||||
| 154 | S | 35.8 | Very low | 42.8 | Very low | 98 Ų | 98 | 153.1 Ų | 153.1 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -155.4 | 90.1 | 162.4 | 59.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 155 | P | 47 | Very low | 42.4 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -84.6 | 117.6 | 176.9 | 31.5 | -29.5 | 0 | 0 | 0 | 110.1 | ||||
| 156 | D | 35.9 | Very low | 41 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -164.6 | 154.2 | 135.4 | -123.5 | -24.9 | 0 | 0 | 0 | 115.5 | ||||
| 157 | M | 34.2 | Very low | 40.5 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | 53.4 | 101.5 | 154.8 | -62.1 | -58.3 | -74.7 | 0 | 0 | 122.9 | ||||
| 158 | L | 44.7 | Very low | 40 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | 38.3 | 119.1 | 128.4 | -52.2 | -175.6 | 0 | 0 | 0 | 121.4 | |||||
| 159 | S | 38.5 | Very low | 39.9 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 92% | 0.923 | 80% | 0.799 | S | S | * | * | -163.6 | 160.8 | 113.9 | 45.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 160 | E | 40 | Very low | 39.9 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -131.5 | 123.3 | -165.4 | 175.4 | -178.1 | 170.5 | 0 | 0 | 110.3 | ||||
| 161 | D | 36.5 | Very low | 40.3 | Very low | 147 Ų | 147 | 151 Ų | 151 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -166.7 | 115.5 | 150.5 | -127.2 | -25.3 | 0 | 0 | 0 | 115.8 | ||||
| 162 | T | 43.4 | Very low | 40.6 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 56% | 0.558 | 78% | 0.784 | S | S | * | * | 40.4 | 92.5 | 127.3 | -50.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 163 | R | 35 | Very low | 41.4 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | 166.4 | 156.5 | 117.9 | -91.9 | 148.3 | -171.8 | 144.2 | 3.7 | 116.6 | |||||
| 164 | L | 38.7 | Very low | 42.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -122.4 | 172.6 | 162.5 | -69.8 | 177.2 | 0 | 0 | 0 | 107.4 | ||||
| 165 | P | 52.4 | Low | 43.9 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -142.8 | -171.3 | 15.1 | 44.5 | -25.6 | 0 | 0 | 0 | 117.5 | ||||
| 166 | A | 31 | Very low | 45.2 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 85.9 | 134.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 167 | A | 39.1 | Very low | 47.2 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 55.6 | 144.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 168 | E | 38.5 | Very low | 49.1 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | cis | -146 | -168.1 | 37.2 | -87.3 | -170.6 | 159.9 | 0 | 0 | 114.7 | ||||
| 169 | E | 42.9 | Very low | 50.4 | Low | 166 Ų | 166 | 137.7 Ų | 137.7 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -52.3 | 136.3 | -172.4 | -169.5 | 179.3 | 173.3 | 0 | 0 | 116.6 | V171 | E169-V171 HydrophobicContact CB-CG2 4.38Å; E169-V171 HydrophobicContact CG-CG2 4.02Å; E169-V171 PolarHBondContact O-N 3.47Å | ||
| 170 | R | 43.4 | Very low | 52.6 | Low | 249 Ų | 249 | 132.3 Ų | 132.3 | 94% | 0.94 | 72% | 0.716 | S | S | * | * | trans | -77.6 | 69.3 | 168.5 | -80.3 | -166.2 | 173.6 | -170.6 | 0.6 | 112.1 | G172 | R170-G172 PolarHBondContact O-N 3.28Š| ||
| 171 | V | 47 | Very low | 54.3 | Low | 104 Ų | 104 | 129.4 Ų | 129.4 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | trans | -62.3 | 119.2 | 165.5 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | E169 A173 | E169-V171 HydrophobicContact CB-CG2 4.38Å; E169-V171 HydrophobicContact CG-CG2 4.02Å; E169-V171 PolarHBondContact O-N 3.47Å; V171-A173 PolarHBondContact O-N 3.36Å | ||
| 172 | G | 48 | Very low | 56.3 | Low | 58 Ų | 58 | 127.2 Ų | 127.2 | 60% | 0.598 | 69% | 0.693 | S | S | * | * | trans | -60.5 | 131.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R170 K174 | R170-G172 PolarHBondContact O-N 3.28Å; G172-K174 PolarHBondContact O-N 3.15Å | ||
| 173 | A | 59.1 | Low | 57.9 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 88% | 0.884 | 68% | 0.68 | S | S | * | * | trans | -60.4 | 97.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V171 F175 | V171-A173 PolarHBondContact O-N 3.36Å; A173-F175 PolarHBondContact O-N 2.9Å | ||
| 174 | K | 63.6 | Low | 59.9 | Low | 151 Ų | 151 | 118.4 Ų | 118.4 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | trans | -63.7 | 128.1 | 174.5 | -62.9 | -174 | -179.9 | -174 | 0 | 109 | G172 T176 | G172-K174 PolarHBondContact O-N 3.15Å; K174-T176 VanDerWaalsContact C-N 3.35Å; K174-T176 PolarHBondContact O-N 3.5Å | ||
| 175 | F | 63.5 | Low | 61.7 | Low | 169 Ų | 169 | 117.1 Ų | 117.1 | 74% | 0.741 | 66% | 0.655 | S | S | * | * | trans | -73.4 | 85.8 | -178 | 178.7 | -109.1 | 0 | 0 | 0 | 110.6 | A173 S177 A180 | A173-F175 PolarHBondContact O-N 2.9Å; F175-S177 WeakPolarHBondContact CE1-OG 3.23Å; F175-S177 PolarHBondContact O-N 2.86Å; F175-S177 VanDerWaalsContact O-N 3.15Å; F175-A180 VanDerWaalsContact O-CB 3.29Å; F175-A180 WeakPolarHBondContact O-CB 3.29Å | ||
| 176 | T | 73.6 | Confident | 62.5 | Low | 134 Ų | 134 | 115.4 Ų | 115.4 | 82% | 0.822 | 65% | 0.646 | S | S | * | * | trans | -69.7 | 107 | 178.4 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | K174 | K174-T176 VanDerWaalsContact C-N 3.35Å; K174-T176 PolarHBondContact O-N 3.5Å | ||
| 177 | S | 78.6 | Confident | 64.3 | Low | 34 Ų | 34 | 115.5 Ų | 115.5 | 24% | 0.238 | 64% | 0.638 | C | S | . | * | S | Bend | trans | -153.5 | 161.5 | 174.1 | 72.5 | 0 | 0 | 0 | 0 | 110 | F175 F179 A180 S183 | F175-S177 WeakPolarHBondContact CE1-OG 3.23Å; F175-S177 PolarHBondContact O-N 2.86Å; F175-S177 VanDerWaalsContact O-N 3.15Å; S177-F179 PolarHBondContact O-N 2.92Å; S177-F179 PolarHBondContact OG-N 2.95Å; S177-A180 VanDerWaalsContact O-CB 3.23Å; S177-A180 WeakPolarHBondContact O-CB 3.49Å; S177-A180 PolarHBondContact O-N 3.12Å; S177-A180 PolarHBondContact OG-N 2.99Å; S177-S183 VanDerWaalsContact O-CB 3.25Å; S177-S183 WeakPolarHBondContact O-CB 3.25Å |
| 178 | S | 72.5 | Confident | 65.3 | Low | 96 Ų | 96 | 116.2 Ų | 116.2 | 67% | 0.671 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -5.5 | 174.5 | -170.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 179 | F | 72.4 | Confident | 66 | Low | 180 Ų | 180 | 116.3 Ų | 116.3 | 79% | 0.789 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 6.3 | 173.8 | -64.7 | -73.8 | 0 | 0 | 0 | 112.9 | S177 | S177-F179 PolarHBondContact O-N 2.92Å; S177-F179 PolarHBondContact OG-N 2.95Å |
| 180 | A | 85.2 | Confident | 66.4 | Low | 19 Ų | 19 | 117.7 Ų | 117.7 | 16% | 0.157 | 64% | 0.635 | C | S | . | * | S | Bend | trans | -68.3 | 143.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F175 S177 D182 S183 I184 | F175-A180 VanDerWaalsContact O-CB 3.29Å; F175-A180 WeakPolarHBondContact O-CB 3.29Å; S177-A180 VanDerWaalsContact O-CB 3.23Å; S177-A180 WeakPolarHBondContact O-CB 3.49Å; S177-A180 PolarHBondContact O-N 3.12Å; S177-A180 PolarHBondContact OG-N 2.99Å; A180-D182 VanDerWaalsContact C-N 3.3Å; A180-D182 PolarHBondContact O-N 2.99Å; A180-S183 WeakPolarHBondContact O-CA 3.44Å; A180-S183 WeakPolarHBondContact O-CB 3.5Å; A180-S183 PolarHBondContact O-N 3.11Å; A180-I184 WeakPolarHBondContact O-CG1 3.41Å; A180-I184 PolarHBondContact O-N 2.91Å |
| 181 | I | 76.8 | Confident | 66.7 | Low | 123 Ų | 123 | 114.9 Ų | 114.9 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -54.9 | -49.7 | 179.7 | -63.1 | 170.8 | 0 | 0 | 0 | 109.8 | S183 I184 L185 | I181-S183 PolarHBondContact O-N 3.23Å; I181-I184 PolarHBondContact O-N 3.21Å; I181-I184 VanDerWaalsContact O-N 3.11Å; I181-L185 HydrophobicContact CG2-CD1 3.71Å; I181-L185 HydrophobicContact CG2-CG 4.29Å; I181-L185 WeakPolarHBondContact O-CG 3.36Å; I181-L185 PolarHBondContact O-N 3.35Å |
| 182 | D | 77.1 | Confident | 66.6 | Low | 100 Ų | 100 | 119.1 Ų | 119.1 | 54% | 0.535 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -53.1 | -40.3 | 175.8 | -55.3 | 9.9 | 0 | 0 | 0 | 112.1 | A180 S186 | A180-D182 VanDerWaalsContact C-N 3.3Å; A180-D182 PolarHBondContact O-N 2.99Å; D182-S186 WeakPolarHBondContact O-CB 3.19Å; D182-S186 PolarHBondContact O-N 2.98Å; D182-S186 PolarHBondContact O-OG 3.18Å |
| 183 | S | 77.6 | Confident | 66.6 | Low | 41 Ų | 41 | 124 Ų | 124 | 29% | 0.287 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -76.4 | -27.8 | -179.5 | -173.6 | 0 | 0 | 0 | 0 | 114 | S177 A180 I181 S186 | S177-S183 VanDerWaalsContact O-CB 3.25Å; S177-S183 WeakPolarHBondContact O-CB 3.25Å; A180-S183 WeakPolarHBondContact O-CA 3.44Å; A180-S183 WeakPolarHBondContact O-CB 3.5Å; A180-S183 PolarHBondContact O-N 3.11Å; I181-S183 PolarHBondContact O-N 3.23Å; S183-S186 WeakPolarHBondContact CA-OG 3.47Å; S183-S186 PolarHBondContact O-OG 2.96Å |
| 184 | I | 75.9 | Confident | 65.4 | Low | 97 Ų | 97 | 125.3 Ų | 125.3 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -77.9 | -35.9 | 176 | -66.3 | 165.2 | 0 | 0 | 0 | 109.8 | A180 I181 T187 | A180-I184 WeakPolarHBondContact O-CG1 3.41Å; A180-I184 PolarHBondContact O-N 2.91Å; I181-I184 PolarHBondContact O-N 3.21Å; I181-I184 VanDerWaalsContact O-N 3.11Å; I184-T187 PolarHBondContact O-OG1 3.4Å |
| 185 | L | 77.1 | Confident | 64.4 | Low | 137 Ų | 137 | 127.4 Ų | 127.4 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.8 | -26.6 | 178 | -63.2 | 177.7 | 0 | 0 | 0 | 113 | I181 T187 | I181-L185 HydrophobicContact CG2-CD1 3.71Å; I181-L185 HydrophobicContact CG2-CG 4.29Å; I181-L185 WeakPolarHBondContact O-CG 3.36Å; I181-L185 PolarHBondContact O-N 3.35Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.27Å |
| 186 | S | 70.1 | Confident | 63.3 | Low | 81 Ų | 81 | 128.1 Ų | 128.1 | 57% | 0.566 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -73.7 | -14.4 | -179.6 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | D182 S183 P188 | D182-S186 WeakPolarHBondContact O-CB 3.19Å; D182-S186 PolarHBondContact O-N 2.98Å; D182-S186 PolarHBondContact O-OG 3.18Å; S183-S186 WeakPolarHBondContact CA-OG 3.47Å; S183-S186 PolarHBondContact O-OG 2.96Å; S186-P188 WeakPolarHBondContact O-CD 3.15Å |
| 187 | T | 67.7 | Low | 61.8 | Low | 94 Ų | 94 | 127 Ų | 127 | 58% | 0.577 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -91.7 | 101.6 | 175.9 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | I184 L185 F189 | I184-T187 PolarHBondContact O-OG1 3.4Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.27Å; T187-F189 PolarHBondContact O-N 2.83Å |
| 188 | P | 61.1 | Low | 60 | Low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 66% | 0.664 | S | S | * | * | trans | -62.7 | 130 | 172.9 | 26.8 | -34.3 | 0 | 0 | 0 | 109.5 | S186 K190 | S186-P188 WeakPolarHBondContact O-CD 3.15Å; P188-K190 VanDerWaalsContact C-N 3.34Å; P188-K190 PolarHBondContact O-N 3.32Å | ||
| 189 | F | 52.6 | Low | 58.5 | Low | 193 Ų | 193 | 134.9 Ų | 134.9 | 85% | 0.846 | 67% | 0.674 | S | S | * | * | trans | -68.2 | 88.7 | -178.2 | -172.3 | -90.5 | 0 | 0 | 0 | 110.5 | T187 R191 | T187-F189 PolarHBondContact O-N 2.83Å; F189-R191 PolarHBondContact O-N 2.97Å | ||
| 190 | K | 52.4 | Low | 57 | Low | 194 Ų | 194 | 133.6 Ų | 133.6 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | trans | -67.6 | 98.2 | 170.1 | -80.7 | -162.1 | 173.1 | -169.6 | 0 | 109.4 | P188 R192 | P188-K190 VanDerWaalsContact C-N 3.34Å; P188-K190 PolarHBondContact O-N 3.32Å; K190-R192 PolarHBondContact O-N 3.47Å | ||
| 191 | R | 47.9 | Very low | 54.8 | Low | 190 Ų | 190 | 141.4 Ų | 141.4 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | trans | -55 | 122.7 | 157.5 | 179.7 | -179.5 | -69.4 | 156.9 | -1.4 | 107.4 | F189 E193 | F189-R191 PolarHBondContact O-N 2.97Å; R191-E193 HydrophobicContact CG-CG 4.46Å; R191-E193 PolarHBondContact O-N 3.43Å; R191-E193 VanDerWaalsContact O-N 3.07Å | ||
| 192 | R | 45.4 | Very low | 53.3 | Low | 193 Ų | 193 | 141.2 Ų | 141.2 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | trans | -79.9 | 88 | -177.8 | -175.6 | 175.8 | -176 | -158.8 | -6.7 | 109.7 | K190 E194 | K190-R192 PolarHBondContact O-N 3.47Å; R192-E194 HydrophobicContact CG-CG 3.65Å; R192-E194 VanDerWaalsContact CZ-CD 3.48Å; R192-E194 IonicContact CZ-OE1 3.19Å; R192-E194 IonicContact CZ-OE2 3.58Å; R192-E194 IonicContact NE-OE1 2.71Å; R192-E194 PolarHBondContact NE-OE1 3.25Å; R192-E194 IonicContact NE-OE2 3.73Å; R192-E194 IonicContact NH2-OE1 2.84Å; R192-E194 PolarHBondContact NH2-OE1 3.23Å; R192-E194 IonicContact NH2-OE2 2.83Å; R192-E194 PolarHBondContact NH2-OE2 2.71Å | ||
| 193 | E | 47.5 | Very low | 52 | Low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -84.5 | 111.3 | 166.7 | -74.9 | 166.6 | -172.1 | 0 | 0 | 108.3 | R191 | R191-E193 HydrophobicContact CG-CG 4.46Å; R191-E193 PolarHBondContact O-N 3.43Å; R191-E193 VanDerWaalsContact O-N 3.07Å | ||
| 194 | E | 34.4 | Very low | 50.4 | Low | 135 Ų | 135 | 145.9 Ų | 145.9 | 63% | 0.631 | 74% | 0.74 | S | S | * | * | trans | -106.6 | 109.4 | -179.3 | -66.2 | -109.6 | 137 | 0 | 0 | 109.9 | R192 | R192-E194 HydrophobicContact CG-CG 3.65Å; R192-E194 VanDerWaalsContact CZ-CD 3.48Å; R192-E194 IonicContact CZ-OE1 3.19Å; R192-E194 IonicContact CZ-OE2 3.58Å; R192-E194 IonicContact NE-OE1 2.71Å; R192-E194 PolarHBondContact NE-OE1 3.25Å; R192-E194 IonicContact NE-OE2 3.73Å; R192-E194 IonicContact NH2-OE1 2.84Å; R192-E194 PolarHBondContact NH2-OE1 3.23Å; R192-E194 IonicContact NH2-OE2 2.83Å; R192-E194 PolarHBondContact NH2-OE2 2.71Å | ||
| 195 | H | 42.2 | Very low | 49 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | -110.4 | 111 | 164.6 | -107 | -59.7 | 0 | 0 | 0 | 108.7 | ||||
| 196 | H | 40.2 | Very low | 47.6 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -142 | 147.1 | 163.3 | -118.1 | -50.4 | 0 | 0 | 0 | 108 | ||||
| 197 | P | 43.4 | Very low | 46.6 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | -92.2 | 177.3 | -168.7 | 37.9 | -34.2 | 0 | 0 | 0 | 113.6 | ||||
| 198 | D | 39.8 | Very low | 45.5 | Very low | 153 Ų | 153 | 161.6 Ų | 161.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -20.5 | 119.9 | 179.2 | -90.4 | -64.9 | 0 | 0 | 0 | 118.5 | ||||
| 199 | T | 41.4 | Very low | 44.8 | Very low | 144 Ų | 144 | 160.7 Ų | 160.7 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -147.2 | 149 | 139.9 | -47.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 200 | Q | 41 | Very low | 44.8 | Very low | 152 Ų | 152 | 157.8 Ų | 157.8 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | trans | -91.2 | 129.2 | -154.7 | -61.3 | -178 | 3.7 | 0 | 0 | 116 | ||||
| 201 | K | 40.1 | Very low | 44.5 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | 66.6 | 158.4 | 149.1 | -62.5 | 167.9 | -177.5 | 170.6 | 0 | 118.6 | ||||
| 202 | P | 44.2 | Very low | 44.6 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | cis | -123.2 | 159.1 | -32.1 | 36.9 | -23.8 | 0 | 0 | 0 | 112.5 | ||||
| 203 | T | 50.8 | Low | 45.1 | Very low | 117 Ų | 117 | 145 Ų | 145 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -101 | 142.6 | -179.8 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | Q205 | T203-Q205 PolarHBondContact O-N 3.18Š| ||
| 204 | P | 43.7 | Very low | 45.5 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -82.6 | 82 | 160.7 | 32.9 | -30.7 | 0 | 0 | 0 | 109.3 | M206 | P204-M206 PolarHBondContact O-N 3.07Š| ||
| 205 | Q | 46.5 | Very low | 46.6 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -74.4 | 88.2 | -176.8 | -170.9 | 173.6 | 6.6 | 0 | 0 | 111.6 | T203 Y207 | T203-Q205 PolarHBondContact O-N 3.18Å; Q205-Y207 VanDerWaalsContact C-N 3.29Å; Q205-Y207 PolarHBondContact O-N 3.43Å | ||
| 206 | M | 47.8 | Very low | 47 | Very low | 167 Ų | 167 | 141 Ų | 141 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | trans | -71 | 81.1 | 174.1 | -78.2 | -72 | 171.5 | 0 | 0 | 111.7 | P204 | P204-M206 PolarHBondContact O-N 3.07Š| ||
| 207 | Y | 49.1 | Very low | 47.2 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | -73.1 | 120.8 | 167 | 172 | -99.8 | 0 | 0 | 0 | 109.9 | Q205 P209 | Q205-Y207 VanDerWaalsContact C-N 3.29Å; Q205-Y207 PolarHBondContact O-N 3.43Å; Y207-P209 HydrophobicContact CD1-CB 4.37Å; Y207-P209 HydrophobicContact CD1-CG 3.97Å; Y207-P209 HydrophobicContact CE1-CB 3.78Å; Y207-P209 HydrophobicContact CE1-CG 3.88Å; Y207-P209 WeakPolarHBondContact O-CD 3.43Å | ||
| 208 | W | 43.9 | Very low | 47.5 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -85 | 115.4 | 168.4 | -71.6 | 98.5 | 0 | 0 | 0 | 109.4 | ||||
| 209 | P | 45.8 | Very low | 47.9 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 59% | 0.591 | 76% | 0.755 | S | S | * | * | trans | -76 | 127.6 | 178.2 | -12.2 | 28.7 | 0 | 0 | 0 | 111.1 | Y207 G211 | Y207-P209 HydrophobicContact CD1-CB 4.37Å; Y207-P209 HydrophobicContact CD1-CG 3.97Å; Y207-P209 HydrophobicContact CE1-CB 3.78Å; Y207-P209 HydrophobicContact CE1-CG 3.88Å; Y207-P209 WeakPolarHBondContact O-CD 3.43Å; P209-G211 PolarHBondContact O-N 3.06Å | ||
| 210 | S | 53.1 | Low | 48 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 92% | 0.923 | 75% | 0.754 | S | S | * | * | trans | -72.1 | 77.2 | 160.8 | -70.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 211 | G | 45.4 | Very low | 48.4 | Very low | 43 Ų | 43 | 141 Ų | 141 | 44% | 0.443 | 76% | 0.756 | S | S | . | * | trans | -111.6 | 110.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P209 H213 | P209-G211 PolarHBondContact O-N 3.06Å; G211-H213 PolarHBondContact O-N 3.42Å; G211-H213 PolarHBondContact O-ND1 2.84Å | ||
| 212 | A | 51.8 | Low | 48.9 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | trans | -64.6 | 130.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 213 | H | 55.1 | Low | 49 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -115.6 | 93.4 | -179.6 | 26.7 | -80.5 | 0 | 0 | 0 | 110.5 | G211 L215 | G211-H213 PolarHBondContact O-N 3.42Å; G211-H213 PolarHBondContact O-ND1 2.84Å; H213-L215 PolarHBondContact O-N 2.83Å | ||
| 214 | T | 56.7 | Low | 49 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -70.6 | 98.9 | 166.4 | 35.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 215 | L | 55.9 | Low | 49.2 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -82.7 | 127.8 | 174.8 | -63.7 | -179.3 | 0 | 0 | 0 | 110.9 | H213 Y217 | H213-L215 PolarHBondContact O-N 2.83Å; L215-Y217 PolarHBondContact O-N 3.19Å | ||
| 216 | P | 50.8 | Low | 49.5 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | trans | -72.5 | 123.2 | 172.2 | 29.3 | -32.7 | 0 | 0 | 0 | 110.3 | A218 | P216-A218 PolarHBondContact O-N 2.85Š| ||
| 217 | Y | 44.8 | Very low | 49 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | -79.6 | 86.9 | -179.9 | -177.9 | -114.5 | 0 | 0 | 0 | 111.3 | L215 L219 | L215-Y217 PolarHBondContact O-N 3.19Å; Y217-L219 HydrophobicContact CD1-CD1 4.36Å; Y217-L219 HydrophobicContact CD1-CD2 4.45Å; Y217-L219 HydrophobicContact CD1-CG 3.98Å; Y217-L219 HydrophobicContact CE1-CD1 4.02Å; Y217-L219 HydrophobicContact CE1-CD2 3.51Å; Y217-L219 HydrophobicContact CE1-CG 3.52Å; Y217-L219 PolarHBondContact O-N 3.46Å | ||
| 218 | A | 50.7 | Low | 48.5 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | -79 | 111.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P216 N220 | P216-A218 PolarHBondContact O-N 2.85Å; A218-N220 PolarHBondContact O-N 2.9Å | ||
| 219 | L | 47.6 | Very low | 48.3 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 55% | 0.55 | 75% | 0.752 | S | S | . | * | trans | -76.6 | 93.7 | -179.3 | -84.7 | 157.9 | 0 | 0 | 0 | 112.6 | Y217 Y221 | Y217-L219 HydrophobicContact CD1-CD1 4.36Å; Y217-L219 HydrophobicContact CD1-CD2 4.45Å; Y217-L219 HydrophobicContact CD1-CG 3.98Å; Y217-L219 HydrophobicContact CE1-CD1 4.02Å; Y217-L219 HydrophobicContact CE1-CD2 3.51Å; Y217-L219 HydrophobicContact CE1-CG 3.52Å; Y217-L219 PolarHBondContact O-N 3.46Å; L219-Y221 HydrophobicContact CD2-CD2 3.87Å; L219-Y221 HydrophobicContact CD2-CE2 3.78Å; L219-Y221 PolarHBondContact O-N 3.2Å | ||
| 220 | N | 42.8 | Very low | 47.7 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -83.3 | 85.5 | 164 | -88.8 | 2.2 | 0 | 0 | 0 | 110.9 | A218 | A218-N220 PolarHBondContact O-N 2.9Š| ||
| 221 | Y | 48.9 | Very low | 47 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 128.7 | 163.4 | -98.8 | -85.9 | 0 | 0 | 0 | 110.4 | L219 | L219-Y221 HydrophobicContact CD2-CD2 3.87Å; L219-Y221 HydrophobicContact CD2-CE2 3.78Å; L219-Y221 PolarHBondContact O-N 3.2Å |
| 222 | P | 52.2 | Low | 46.5 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 129.6 | 168.7 | 29.3 | -32.5 | 0 | 0 | 0 | 110.1 | H224 | P222-H224 PolarHBondContact O-N 2.96Š|
| 223 | V | 45.8 | Very low | 45.6 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124 | -178.2 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 224 | H | 50.3 | Low | 44.6 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -80 | 126.1 | 166.9 | -80.3 | -100.5 | 0 | 0 | 0 | 110.2 | P222 P226 | P222-H224 PolarHBondContact O-N 2.96Å; H224-P226 WeakPolarHBondContact O-CD 3.38Å |
| 225 | H | 47.3 | Very low | 43.6 | Very low | 181 Ų | 181 | 142 Ų | 142 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 126.2 | 166.7 | -80.6 | -93.6 | 0 | 0 | 0 | 110.4 | Y227 | H225-Y227 PolarHBondContact O-N 2.88Š|
| 226 | P | 53.3 | Low | 42.9 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 118 | 165.4 | 30.5 | -30.8 | 0 | 0 | 0 | 110 | H224 | H224-P226 WeakPolarHBondContact O-CD 3.38Š|
| 227 | Y | 36.9 | Very low | 42.6 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -76.2 | 115.3 | 168.2 | 175.2 | -96.1 | 0 | 0 | 0 | 108.8 | H225 | H225-Y227 PolarHBondContact O-N 2.88Š| ||
| 228 | L | 39.5 | Very low | 42.9 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -79 | 120.4 | 176.8 | -81.4 | 169 | 0 | 0 | 0 | 110.4 | ||||
| 229 | S | 38.8 | Very low | 42.1 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 58% | 0.58 | 78% | 0.776 | S | S | * | * | trans | -159.9 | 86.6 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 230 | E | 34.3 | Very low | 41.5 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -173.1 | 123 | 144.6 | -101.8 | 167.8 | 168.9 | 0 | 0 | 105 | ||||
| 231 | A | 38 | Very low | 41.5 | Very low | 95 Ų | 95 | 146.6 Ų | 146.6 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | cis | 78.3 | 91.6 | 48.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 232 | A | 36 | Very low | 41.9 | Very low | 99 Ų | 99 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -175.2 | 143.5 | 136.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 233 | Y | 31.6 | Very low | 41.2 | Very low | 223 Ų | 223 | 147.2 Ų | 147.2 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | 96.3 | 141.7 | 138.2 | -126.1 | -105.1 | 0 | 0 | 0 | 123.9 | ||||
| 234 | S | 34.7 | Very low | 41 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | trans | 62.5 | 79 | 168.4 | -74.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 235 | S | 35.1 | Very low | 40.6 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | 33.9 | 125.3 | 111.5 | -45.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 236 | T | 41.8 | Very low | 40.2 | Very low | 148 Ų | 148 | 142 Ų | 142 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | trans | -143.2 | 148.7 | 137.5 | 10.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 237 | E | 44.5 | Very low | 39.6 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -77.2 | 171.8 | -161.4 | -82 | -68.4 | 102.9 | 0 | 0 | 116.3 | ||||
| 238 | P | 51.8 | Low | 39.7 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -103.8 | 177.3 | -147.3 | 40.6 | -40.1 | 0 | 0 | 0 | 116.9 | ||||
| 239 | G | 32.3 | Very low | 39.8 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -164.8 | 108 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 240 | R | 36.8 | Very low | 39.7 | Very low | 248 Ų | 248 | 135.5 Ų | 135.5 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | trans | 67.1 | 100.9 | 145.1 | -57.2 | -178.2 | -175.4 | -172.7 | 1 | 121.3 | ||||
| 241 | D | 41.8 | Very low | 40.1 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | -61.4 | 166.8 | 126.3 | -79 | -43.4 | 0 | 0 | 0 | 110.6 | |||||
| 242 | P | 57.4 | Low | 40.4 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | cis | -149.5 | -173.6 | 33.6 | 31.6 | -4.7 | 0 | 0 | 0 | 118.6 | ||||
| 243 | Y | 38.1 | Very low | 40.6 | Very low | 212 Ų | 212 | 139.6 Ų | 139.6 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | 75.6 | 151.1 | 163.8 | -58.5 | -55 | 0 | 0 | 0 | 117.3 | ||||
| 244 | L | 41.8 | Very low | 41.9 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | cis | -158.2 | -180 | 2.1 | -127.6 | 171.9 | 0 | 0 | 0 | 111.7 | ||||
| 245 | H | 41.9 | Very low | 42.3 | Very low | 168 Ų | 168 | 140 Ų | 140 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | 71.9 | 125.5 | 175.2 | -59 | -83.1 | 0 | 0 | 0 | 117.5 | ||||
| 246 | A | 37.8 | Very low | 42.7 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | 107.2 | 143.3 | 5.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 247 | T | 40.3 | Very low | 42.9 | Very low | 139 Ų | 139 | 136 Ų | 136 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 66.6 | 120.4 | -179.1 | 58.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 248 | A | 39.3 | Very low | 42.6 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | 80.9 | 145 | 55.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 249 | V | 42.8 | Very low | 42.3 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | cis | -150.2 | 160.6 | 24.7 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 250 | G | 36.6 | Very low | 43.4 | Very low | 64 Ų | 64 | 143.7 Ų | 143.7 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | cis | 136.1 | 87.8 | -1.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 251 | R | 42.7 | Very low | 44.6 | Very low | 243 Ų | 243 | 137.6 Ų | 137.6 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -149.9 | 122.8 | 174.1 | -85.6 | 172.9 | 176.3 | 168.3 | -0.9 | 108.4 | ||||
| 252 | V | 42.6 | Very low | 44.9 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | 76.6 | 122 | 59.1 | -179.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 253 | A | 41.5 | Very low | 44.3 | Very low | 85 Ų | 85 | 142 Ų | 142 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -95.1 | -167.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 254 | P | 59.2 | Low | 44.8 | Very low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | -143.7 | -175.1 | 83.3 | 40.1 | -23.5 | 0 | 0 | 0 | 115.5 | |||||
| 255 | E | 43.1 | Very low | 45.3 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -74.1 | 167.6 | -178.1 | -53.1 | 177.5 | 112.6 | 0 | 0 | 115 | ||||
| 256 | A | 43.2 | Very low | 45.3 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -135.8 | 129 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 257 | A | 45.4 | Very low | 45.8 | Very low | 71 Ų | 71 | 143 Ų | 143 | 59% | 0.587 | 81% | 0.814 | S | S | * | * | trans | -137.8 | 169.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 258 | F | 37.9 | Very low | 46.3 | Very low | 198 Ų | 198 | 145 Ų | 145 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 69.6 | 153.9 | -173.5 | -55 | -86.8 | 0 | 0 | 0 | 114 | ||||
| 259 | K | 45.6 | Very low | 47.2 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | cis | -148.6 | 142.5 | 11.8 | -151.4 | 160.9 | -175.8 | 170.5 | 0 | 111.9 | ||||
| 260 | V | 56.2 | Low | 47.8 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -96.1 | 128.3 | 169.9 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 261 | P | 61.7 | Low | 48.4 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -87.4 | 148.6 | 164.7 | 34.6 | -31.4 | 0 | 0 | 0 | 111 | ||||
| 262 | S | 48.3 | Very low | 48.8 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -126.4 | 171.7 | 179.7 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 263 | R | 43.8 | Very low | 49.3 | Very low | 235 Ų | 235 | 148.2 Ų | 148.2 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | 80.5 | 119 | 169.3 | -84.3 | -179.9 | 160.1 | 168.3 | -5.4 | 120.3 | ||||
| 264 | A | 48.5 | Very low | 49.7 | Very low | 86 Ų | 86 | 153.1 Ų | 153.1 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | 78.2 | 114.7 | 124.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 265 | R | 52.4 | Low | 49.3 | Very low | 238 Ų | 238 | 154.4 Ų | 154.4 | 90% | 0.898 | 85% | 0.846 | S | S | * | * | -146.5 | 140.5 | 106.7 | -112.9 | 168.6 | -74.6 | -175.4 | -1.5 | 109.8 | |||||
| 266 | G | 43.2 | Very low | 49.6 | Very low | 77 Ų | 77 | 152.6 Ų | 152.6 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | trans | -87.8 | 146.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 267 | F | 47.2 | Very low | 49.9 | Very low | 208 Ų | 208 | 155.2 Ų | 155.2 | 91% | 0.912 | 84% | 0.843 | S | S | * | * | trans | -92 | 115.6 | 170.5 | -74.3 | -87.4 | 0 | 0 | 0 | 108.9 | ||||
| 268 | H | 51.5 | Low | 50.2 | Low | 180 Ų | 180 | 160.2 Ų | 160.2 | 83% | 0.833 | 86% | 0.858 | S | S | * | * | trans | -75.5 | 134 | 172.4 | -144.3 | -76.1 | 0 | 0 | 0 | 108.4 | ||||
| 269 | I | 57.6 | Low | 51 | Low | 138 Ų | 138 | 157.8 Ų | 157.8 | 71% | 0.708 | 86% | 0.857 | S | S | * | * | trans | -86.7 | 178.8 | 164.6 | -21.4 | -177.8 | 0 | 0 | 0 | 107.7 | ||||
| 270 | D | 55.5 | Low | 51.3 | Low | 146 Ų | 146 | 155.6 Ų | 155.6 | 78% | 0.781 | 86% | 0.859 | S | S | * | * | trans | 70.2 | 90.3 | 177.7 | -45.1 | -32.7 | 0 | 0 | 0 | 116.1 | ||||
| 271 | S | 48.6 | Very low | 51 | Low | 117 Ų | 117 | 157 Ų | 157 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | trans | 176.8 | 81.4 | 133.9 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 272 | L | 50.8 | Low | 50.2 | Low | 181 Ų | 181 | 159.8 Ų | 159.8 | 95% | 0.948 | 87% | 0.868 | S | S | * | * | trans | -147.7 | 62.4 | 162.7 | -82.5 | -174.1 | 0 | 0 | 0 | 109.6 | ||||
| 273 | L | 53.5 | Low | 50.3 | Low | 174 Ų | 174 | 164 Ų | 164 | 91% | 0.911 | 88% | 0.876 | S | S | * | * | trans | -151.9 | 69.4 | 170.3 | -142 | 163.3 | 0 | 0 | 0 | 110.7 | ||||
| 274 | S | 51.3 | Low | 50.9 | Low | 188 Ų | 188 | 157.5 Ų | 157.5 | 100% | 1.315 | 88% | 0.875 | S | S | * | * | trans | -156.8 | 0 | 160.8 | -176.3 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 274 of 274 residues in 244.2 ms
(Link to these results)