| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.2 | Very low | 36.5 | Very low | 231 Ų | 231 | 155.9 Ų | 155.9 | 100% | 1.138 | 82% | 0.819 | S | S | * | * | 0 | 84.5 | 0 | -82.6 | 166.4 | 162.3 | 0 | 0 | 105.5 | |||||
| 2 | E | 35.8 | Very low | 36.2 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | 84.3 | 106.9 | 95.8 | -84.8 | -167.2 | 119.4 | 0 | 0 | 109.9 | |||||
| 3 | Q | 36.5 | Very low | 36.3 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | 70.1 | 138.5 | 94.6 | -72.4 | -171.3 | 47.5 | 0 | 0 | 111.3 | |||||
| 4 | G | 32.2 | Very low | 37.1 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | cis | -157.9 | -158.7 | 5.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 5 | E | 36.3 | Very low | 36.9 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | cis | -168.6 | 156.7 | 5.6 | -118.1 | -178.2 | 137.1 | 0 | 0 | 106.7 | ||||
| 6 | T | 38.1 | Very low | 36.8 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -63.6 | 163.9 | 175.3 | 43.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 7 | K | 35.4 | Very low | 36.7 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | 148.5 | 144.5 | 138 | -84.8 | -179.8 | 168.8 | 168.9 | 0 | 109.7 | ||||
| 8 | N | 32.3 | Very low | 36.4 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | cis | -170.7 | 146.7 | 3.9 | -101.6 | -19.3 | 0 | 0 | 0 | 108.3 | ||||
| 9 | N | 35 | Very low | 36.5 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -72.2 | 169.6 | 156.6 | -82.9 | -12.9 | 0 | 0 | 0 | 110.5 | ||||
| 10 | P | 47.9 | Very low | 36.3 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | -143.8 | 147.9 | 95.7 | 32.2 | -13.9 | 0 | 0 | 0 | 115.6 | |||||
| 11 | E | 35.6 | Very low | 36 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -76.4 | 152.4 | 158.1 | -78.6 | 170.4 | 118.5 | 0 | 0 | 111.3 | ||||
| 12 | S | 33.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -159.8 | 121.8 | 147.1 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 13 | S | 37.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -75.2 | 171.1 | 164 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 14 | P | 46.9 | Very low | 35.6 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | -147.7 | 161.5 | 88.7 | 35.1 | -15.6 | 0 | 0 | 0 | 116.3 | |||||
| 15 | D | 35.3 | Very low | 35.7 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -62.7 | 152.9 | 171 | -60.5 | -61 | 0 | 0 | 0 | 114.1 | ||||
| 16 | T | 35.4 | Very low | 35.8 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -147.6 | 123.7 | 141.4 | 29.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 17 | D | 33.6 | Very low | 35.7 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -100.5 | 138 | 176.3 | -151.7 | 2 | 0 | 0 | 0 | 108 | ||||
| 18 | S | 31.8 | Very low | 35.5 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -162.4 | 118.9 | 160.7 | -162.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 19 | V | 38.3 | Very low | 36.3 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -107.4 | 133.3 | 175.9 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 20 | A | 32 | Very low | 35.9 | Very low | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | trans | -162.9 | 121.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 21 | H | 30.4 | Very low | 35.6 | Very low | 173 Ų | 173 | 133 Ų | 133 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | 53.2 | 112.6 | 138.7 | -69.4 | -69.2 | 0 | 0 | 0 | 121.9 | ||||
| 22 | V | 33.9 | Very low | 35.6 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | 70.7 | 112.4 | 91.1 | -179.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 23 | E | 32.1 | Very low | 35.5 | Very low | 195 Ų | 195 | 130.1 Ų | 130.1 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | -168.1 | 145.1 | 120.7 | -106.1 | 175.2 | -178.8 | 0 | 0 | 113.5 | |||||
| 24 | D | 34.2 | Very low | 35.6 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -82.4 | 144.1 | -175.2 | 179.4 | 23.6 | 0 | 0 | 0 | 111 | ||||
| 25 | S | 35 | Very low | 35.3 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -167.4 | 98.6 | 155.7 | -83.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 26 | A | 38.4 | Very low | 35.1 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -59 | 141 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 27 | L | 34.9 | Very low | 35.5 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -172.4 | 109.6 | 146.4 | -98.4 | 160 | 0 | 0 | 0 | 109.3 | ||||
| 28 | A | 32.8 | Very low | 36.2 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -85.9 | 176 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 29 | P | 47.9 | Very low | 36.8 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -132.9 | 171.4 | -6.1 | 38.5 | -21.3 | 0 | 0 | 0 | 113.3 | ||||
| 30 | S | 27.9 | Very low | 37 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -165.9 | 130.3 | 141.5 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 31 | C | 40 | Very low | 37.7 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 86% | 0.858 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 149.3 | 171.1 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 32 | G | 35.7 | Very low | 38.6 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 95.3 | 103 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 33 | D | 32.2 | Very low | 39.1 | Very low | 172 Ų | 172 | 124.8 Ų | 124.8 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | -174.3 | 166.4 | 93.3 | -109.2 | -19.8 | 0 | 0 | 0 | 112.4 | |||||
| 34 | Q | 39.8 | Very low | 39.9 | Very low | 173 Ų | 173 | 122.9 Ų | 122.9 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -74.9 | 152.1 | -162.8 | -141.2 | 179.2 | 37.7 | 0 | 0 | 114.9 | ||||
| 35 | V | 38.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | trans | 73.6 | 111.6 | 157.3 | -164.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 36 | D | 32.9 | Very low | 41.4 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | -148 | 107.8 | 71.6 | -83.7 | -55.7 | 0 | 0 | 0 | 112.1 | T38 | D36-T38 VanDerWaalsContact C-N 3.33Å; D36-T38 PolarHBondContact O-N 2.69Å | |||
| 37 | S | 42.1 | Very low | 42.3 | Very low | 132 Ų | 132 | 117 Ų | 117 | 92% | 0.923 | 72% | 0.717 | S | S | * | * | trans | -92.5 | 70.6 | 160.7 | -64.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 38 | T | 49.3 | Very low | 43.5 | Very low | 133 Ų | 133 | 111.2 Ų | 111.2 | 82% | 0.816 | 69% | 0.692 | S | S | * | * | trans | -115.6 | 73.3 | 166.3 | -49.2 | 0 | 0 | 0 | 0 | 107.8 | D36 | D36-T38 VanDerWaalsContact C-N 3.33Å; D36-T38 PolarHBondContact O-N 2.69Å | ||
| 39 | G | 44.1 | Very low | 44.9 | Very low | 53 Ų | 53 | 110.4 Ų | 110.4 | 55% | 0.546 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -142.9 | -26.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 40 | D | 42.7 | Very low | 45.8 | Very low | 133 Ų | 133 | 110.5 Ų | 110.5 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -108.3 | -18.2 | -171 | -92.3 | -32.4 | 0 | 0 | 0 | 115.5 | N42 L43 | D40-N42 PolarHBondContact O-N 2.96Å; D40-L43 PolarHBondContact O-N 2.84Å |
| 41 | A | 47.3 | Very low | 47.8 | Very low | 85 Ų | 85 | 109.1 Ų | 109.1 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.2 | -19.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S45 | A41-S45 WeakPolarHBondContact O-CB 3.45Å; A41-S45 PolarHBondContact O-N 2.93Å |
| 42 | N | 48.4 | Very low | 49.4 | Very low | 113 Ų | 113 | 106.8 Ų | 106.8 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -85.4 | -31.4 | -176.6 | -142.8 | 11.5 | 0 | 0 | 0 | 112.2 | D40 M46 | D40-N42 PolarHBondContact O-N 2.96Å; N42-M46 VanDerWaalsContact O-CB 3.27Å; N42-M46 WeakPolarHBondContact O-CB 3.38Å; N42-M46 WeakPolarHBondContact O-CG 3.35Å; N42-M46 PolarHBondContact O-N 3.43Å |
| 43 | L | 44.3 | Very low | 51.4 | Low | 128 Ų | 128 | 108 Ų | 108 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.8 | -42.5 | 177.2 | -109.7 | 96 | 0 | 0 | 0 | 112.1 | D40 M46 S47 | D40-L43 PolarHBondContact O-N 2.84Å; L43-M46 PolarHBondContact O-N 3.34Å; L43-S47 VanDerWaalsContact O-CB 3.31Å; L43-S47 WeakPolarHBondContact O-CB 3.08Å; L43-S47 PolarHBondContact O-N 3.41Å |
| 44 | E | 49.3 | Very low | 53.5 | Low | 156 Ų | 156 | 104 Ų | 104 | 73% | 0.729 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.9 | -38.8 | 175.5 | -69.9 | -171.4 | 156.8 | 0 | 0 | 111.7 | S47 S48 | E44-S47 PolarHBondContact O-N 3.14Å; E44-S48 WeakPolarHBondContact O-CB 3.23Å; E44-S48 PolarHBondContact O-N 3.06Å; E44-S48 PolarHBondContact O-OG 3.08Å |
| 45 | S | 51.7 | Low | 55.6 | Low | 57 Ų | 57 | 97.5 Ų | 97.5 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -46.7 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | A41 S47 S48 C49 | A41-S45 WeakPolarHBondContact O-CB 3.45Å; A41-S45 PolarHBondContact O-N 2.93Å; S45-S47 PolarHBondContact O-N 3.49Å; S45-S48 PolarHBondContact O-N 3.31Å; S45-S48 PolarHBondContact O-OG 2.95Å; S45-C49 WeakPolarHBondContact O-CB 3.17Å; S45-C49 PolarHBondContact O-N 2.92Å; S45-C49 PolarHBondContact O-SG 3.43Å |
| 46 | M | 48.3 | Very low | 57.7 | Low | 104 Ų | 104 | 94.9 Ų | 94.9 | 51% | 0.512 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.7 | -39 | 176.1 | -73.6 | -179.6 | 73 | 0 | 0 | 112.6 | N42 L43 C49 Q50 | N42-M46 VanDerWaalsContact O-CB 3.27Å; N42-M46 WeakPolarHBondContact O-CB 3.38Å; N42-M46 WeakPolarHBondContact O-CG 3.35Å; N42-M46 PolarHBondContact O-N 3.43Å; L43-M46 PolarHBondContact O-N 3.34Å; M46-C49 PolarHBondContact O-N 3.21Å; M46-Q50 VanDerWaalsContact O-CG 3.28Å; M46-Q50 WeakPolarHBondContact O-CG 3.41Å; M46-Q50 PolarHBondContact O-N 3.15Å |
| 47 | S | 57.9 | Low | 60.3 | Low | 63 Ų | 63 | 93.8 Ų | 93.8 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 174 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | L43 E44 S45 C49 Q50 D51 | L43-S47 VanDerWaalsContact O-CB 3.31Å; L43-S47 WeakPolarHBondContact O-CB 3.08Å; L43-S47 PolarHBondContact O-N 3.41Å; E44-S47 PolarHBondContact O-N 3.14Å; S45-S47 PolarHBondContact O-N 3.49Å; S47-C49 VanDerWaalsContact C-N 3.34Å; S47-C49 PolarHBondContact O-N 3.06Å; S47-Q50 PolarHBondContact O-N 2.79Å; S47-D51 PolarHBondContact O-N 2.82Å |
| 48 | S | 60.4 | Low | 62.4 | Low | 55 Ų | 55 | 93.4 Ų | 93.4 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 178.8 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | E44 S45 D51 I52 | E44-S48 WeakPolarHBondContact O-CB 3.23Å; E44-S48 PolarHBondContact O-N 3.06Å; E44-S48 PolarHBondContact O-OG 3.08Å; S45-S48 PolarHBondContact O-N 3.31Å; S45-S48 PolarHBondContact O-OG 2.95Å; S48-D51 PolarHBondContact O-N 3.49Å; S48-I52 WeakPolarHBondContact O-CD1 3.32Å; S48-I52 VanDerWaalsContact O-CG1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.41Å; S48-I52 PolarHBondContact O-N 2.84Å |
| 49 | C | 61.3 | Low | 64.5 | Low | 70 Ų | 70 | 87.3 Ų | 87.3 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 177.4 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | S45 M46 S47 N53 | S45-C49 WeakPolarHBondContact O-CB 3.17Å; S45-C49 PolarHBondContact O-N 2.92Å; S45-C49 PolarHBondContact O-SG 3.43Å; M46-C49 PolarHBondContact O-N 3.21Å; S47-C49 VanDerWaalsContact C-N 3.34Å; S47-C49 PolarHBondContact O-N 3.06Å; C49-N53 WeakPolarHBondContact O-CB 3.3Å; C49-N53 PolarHBondContact O-N 2.9Å |
| 50 | Q | 66.9 | Low | 66.8 | Low | 128 Ų | 128 | 92.7 Ų | 92.7 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 176.1 | -75.1 | 175.9 | 7 | 0 | 0 | 111.6 | M46 S47 N53 M54 | M46-Q50 VanDerWaalsContact O-CG 3.28Å; M46-Q50 WeakPolarHBondContact O-CG 3.41Å; M46-Q50 PolarHBondContact O-N 3.15Å; S47-Q50 PolarHBondContact O-N 2.79Å; Q50-N53 PolarHBondContact O-N 3.16Å; Q50-M54 WeakPolarHBondContact O-CB 3.12Å; Q50-M54 PolarHBondContact O-N 3.06Å |
| 51 | D | 70.5 | Confident | 69.3 | Low | 89 Ų | 89 | 89.9 Ų | 89.9 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.5 | -77.7 | -30.3 | 0 | 0 | 0 | 112.2 | S47 S48 N53 M54 M55 | S47-D51 PolarHBondContact O-N 2.82Å; S48-D51 PolarHBondContact O-N 3.49Å; D51-N53 PolarHBondContact O-N 3.24Å; D51-M54 PolarHBondContact O-N 3.46Å; D51-M55 WeakPolarHBondContact O-CB 3.2Å; D51-M55 WeakPolarHBondContact O-CG 3.43Å; D51-M55 PolarHBondContact O-N 2.79Å |
| 52 | I | 74.4 | Confident | 71.7 | Confident | 78 Ų | 78 | 86.7 Ų | 86.7 | 40% | 0.4 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 175.7 | -67.8 | 164.7 | 0 | 0 | 0 | 110.5 | S48 M54 M55 D56 | S48-I52 WeakPolarHBondContact O-CD1 3.32Å; S48-I52 VanDerWaalsContact O-CG1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.41Å; S48-I52 PolarHBondContact O-N 2.84Å; I52-M54 PolarHBondContact O-N 3.14Å; I52-M55 PolarHBondContact O-N 3.39Å; I52-D56 PolarHBondContact O-N 3.35Å |
| 53 | N | 76.7 | Confident | 74 | Confident | 97 Ų | 97 | 84.3 Ų | 84.3 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | -178.3 | -151.7 | -32 | 0 | 0 | 0 | 111.7 | C49 Q50 D51 D56 Q57 | C49-N53 WeakPolarHBondContact O-CB 3.3Å; C49-N53 PolarHBondContact O-N 2.9Å; Q50-N53 PolarHBondContact O-N 3.16Å; D51-N53 PolarHBondContact O-N 3.24Å; N53-D56 PolarHBondContact O-N 3.29Å; N53-Q57 VanDerWaalsContact O-CG 3.31Å; N53-Q57 WeakPolarHBondContact O-CG 3.3Å; N53-Q57 PolarHBondContact O-N 3.02Å |
| 54 | M | 76.7 | Confident | 76.5 | Confident | 86 Ų | 86 | 84.9 Ų | 84.9 | 42% | 0.424 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 173.8 | -167.5 | -171 | 61.4 | 0 | 0 | 111.9 | Q50 D51 I52 Q57 K58 | Q50-M54 WeakPolarHBondContact O-CB 3.12Å; Q50-M54 PolarHBondContact O-N 3.06Å; D51-M54 PolarHBondContact O-N 3.46Å; I52-M54 PolarHBondContact O-N 3.14Å; M54-Q57 PolarHBondContact O-N 3.26Å; M54-K58 WeakPolarHBondContact O-CG 2.93Å; M54-K58 PolarHBondContact O-N 2.97Å; M54-K58 VanDerWaalsContact O-N 3.12Å |
| 55 | M | 82.7 | Confident | 78.8 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 176.1 | -71.7 | -65.6 | -69.7 | 0 | 0 | 112.2 | D51 I52 Q57 K58 L59 L124 Y127 I128 | D51-M55 WeakPolarHBondContact O-CB 3.2Å; D51-M55 WeakPolarHBondContact O-CG 3.43Å; D51-M55 PolarHBondContact O-N 2.79Å; I52-M55 PolarHBondContact O-N 3.39Å; M55-Q57 VanDerWaalsContact C-N 3.33Å; M55-Q57 PolarHBondContact O-N 3.48Å; M55-K58 WeakPolarHBondContact O-CB 2.84Å; M55-K58 PolarHBondContact O-N 3.26Å; M55-K58 VanDerWaalsContact O-N 3.14Å; M55-K58 HydrophobicContact SD-CD 4.34Å; M55-L59 PolarHBondContact O-N 3.38Å; M55-L124 HydrophobicContact CE-CD2 3.86Å; M55-Y127 WeakPolarHBondContact CB-OH 3.42Å; M55-I128 HydrophobicContact CB-CD1 4.09Å; M55-I128 HydrophobicContact CE-CD1 4.2Å; M55-I128 HydrophobicContact CE-CG1 3.84Å; M55-I128 HydrophobicContact CE-CG2 4.33Å |
| 56 | D | 84.3 | Confident | 81 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 173.2 | -78.4 | -24.1 | 0 | 0 | 0 | 112.1 | I52 N53 K58 L59 R60 R131 | I52-D56 PolarHBondContact O-N 3.35Å; N53-D56 PolarHBondContact O-N 3.29Å; D56-K58 VanDerWaalsContact C-N 3.29Å; D56-K58 PolarHBondContact O-N 3.38Å; D56-L59 WeakPolarHBondContact O-CB 2.97Å; D56-L59 PolarHBondContact O-N 3.34Å; D56-L59 VanDerWaalsContact O-N 3.15Å; D56-R60 PolarHBondContact O-N 3.26Å; D56-R131 IonicContact OD1-NH1 3.4Å |
| 57 | Q | 86.2 | Confident | 83.3 | Confident | 116 Ų | 116 | 78.5 Ų | 78.5 | 54% | 0.542 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 171.6 | -72.6 | 173.3 | 23.2 | 0 | 0 | 112 | N53 M54 M55 L59 R60 P61 | N53-Q57 VanDerWaalsContact O-CG 3.31Å; N53-Q57 WeakPolarHBondContact O-CG 3.3Å; N53-Q57 PolarHBondContact O-N 3.02Å; M54-Q57 PolarHBondContact O-N 3.26Å; M55-Q57 VanDerWaalsContact C-N 3.33Å; M55-Q57 PolarHBondContact O-N 3.48Å; Q57-L59 VanDerWaalsContact C-N 3.31Å; Q57-L59 PolarHBondContact O-N 3.49Å; Q57-R60 PolarHBondContact O-N 3.01Å; Q57-P61 WeakPolarHBondContact O-CD 3.48Å |
| 58 | K | 87.4 | Confident | 85.2 | Confident | 124 Ų | 124 | 81.3 Ų | 81.3 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70 | -25.7 | 174.4 | -69.8 | 178.3 | -178.3 | 177.3 | 0 | 113.2 | M54 M55 D56 P61 | M54-K58 WeakPolarHBondContact O-CG 2.93Å; M54-K58 PolarHBondContact O-N 2.97Å; M54-K58 VanDerWaalsContact O-N 3.12Å; M55-K58 WeakPolarHBondContact O-CB 2.84Å; M55-K58 PolarHBondContact O-N 3.26Å; M55-K58 VanDerWaalsContact O-N 3.14Å; M55-K58 HydrophobicContact SD-CD 4.34Å; D56-K58 VanDerWaalsContact C-N 3.29Å; D56-K58 PolarHBondContact O-N 3.38Å; K58-P61 WeakPolarHBondContact O-CD 3.13Å; K58-P61 WeakPolarHBondContact O-CG 2.9Å |
| 59 | L | 92.3 | Very high | 87 | Confident | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.9 | -30.9 | 175.5 | -78.6 | 175.3 | 0 | 0 | 0 | 113.5 | M55 D56 Q57 I62 E63 I128 L132 | M55-L59 PolarHBondContact O-N 3.38Å; D56-L59 WeakPolarHBondContact O-CB 2.97Å; D56-L59 PolarHBondContact O-N 3.34Å; D56-L59 VanDerWaalsContact O-N 3.15Å; Q57-L59 VanDerWaalsContact C-N 3.31Å; Q57-L59 PolarHBondContact O-N 3.49Å; L59-I62 HydrophobicContact CD2-CD1 4.16Å; L59-I62 WeakPolarHBondContact O-CA 3.32Å; L59-I62 WeakPolarHBondContact O-CB 3.12Å; L59-I62 PolarHBondContact O-N 3.49Å; L59-E63 PolarHBondContact O-N 2.75Å; L59-I128 HydrophobicContact CD1-CD1 3.42Å; L59-I128 VanDerWaalsContact CD1-CD1 3.42Å; L59-I128 HydrophobicContact CD2-CD1 4.47Å; L59-I128 HydrophobicContact CD2-CG2 4.38Å; L59-I128 HydrophobicContact CG-CD1 3.99Å; L59-L132 HydrophobicContact CD2-CD2 3.91Å |
| 60 | R | 93.3 | Very high | 88.8 | Confident | 167 Ų | 167 | 77 Ų | 77 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -49.5 | -51.1 | -178.5 | -74.6 | -170.2 | -178.8 | -166.8 | 1.3 | 114.9 | D56 Q57 I62 E63 Q64 | D56-R60 PolarHBondContact O-N 3.26Å; Q57-R60 PolarHBondContact O-N 3.01Å; R60-I62 VanDerWaalsContact C-N 3.26Å; R60-I62 PolarHBondContact O-N 2.91Å; R60-E63 PolarHBondContact O-N 2.73Å; R60-Q64 WeakPolarHBondContact O-CG 3.39Å; R60-Q64 PolarHBondContact O-N 2.81Å |
| 61 | P | 95.2 | Very high | 90.2 | Very high | 73 Ų | 73 | 74 Ų | 74 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -32.5 | 179.1 | 24.1 | -34.6 | 0 | 0 | 0 | 112.6 | Q57 K58 Q64 Q65 | Q57-P61 WeakPolarHBondContact O-CD 3.48Å; K58-P61 WeakPolarHBondContact O-CD 3.13Å; K58-P61 WeakPolarHBondContact O-CG 2.9Å; P61-Q64 PolarHBondContact O-N 3.37Å; P61-Q65 PolarHBondContact O-N 3.31Å |
| 62 | I | 96.8 | Very high | 91.4 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 177.6 | -54.6 | 168.3 | 0 | 0 | 0 | 110.1 | L59 R60 F66 Y106 Y109 L110 L132 F135 | L59-I62 HydrophobicContact CD2-CD1 4.16Å; L59-I62 WeakPolarHBondContact O-CA 3.32Å; L59-I62 WeakPolarHBondContact O-CB 3.12Å; L59-I62 PolarHBondContact O-N 3.49Å; R60-I62 VanDerWaalsContact C-N 3.26Å; R60-I62 PolarHBondContact O-N 2.91Å; I62-F66 PolarHBondContact O-N 3.32Å; I62-Y106 HydrophobicContact CG2-CE2 4.12Å; I62-Y106 WeakPolarHBondContact CG2-OH 3.44Å; I62-Y106 PolarHBondContact O-OH 2.89Å; I62-Y109 HydrophobicContact CD1-CE1 3.66Å; I62-Y109 WeakPolarHBondContact CD1-OH 3.38Å; I62-Y109 HydrophobicContact CG1-CE1 3.81Å; I62-Y109 HydrophobicContact CG2-CE1 4.2Å; I62-L110 HydrophobicContact CG2-CD2 3.68Å; I62-L132 HydrophobicContact CD1-CD2 4.05Å; I62-L132 HydrophobicContact CG2-CD2 3.96Å; I62-F135 HydrophobicContact CG2-CD2 4.21Å; I62-F135 HydrophobicContact CG2-CE2 4.36Å |
| 63 | E | 96.8 | Very high | 92.4 | Very high | 63 Ų | 63 | 68.8 Ų | 68.8 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 176.2 | -177 | 166.5 | -144.8 | 0 | 0 | 112.3 | L59 R60 Q65 F66 Q67 R131 F135 | L59-E63 PolarHBondContact O-N 2.75Å; R60-E63 PolarHBondContact O-N 2.73Å; E63-Q65 PolarHBondContact O-N 3.25Å; E63-F66 WeakPolarHBondContact O-CB 3.39Å; E63-F66 PolarHBondContact O-N 3.09Å; E63-Q67 WeakPolarHBondContact O-CG 3.37Å; E63-Q67 PolarHBondContact O-N 3.24Å; E63-R131 IonicContact OE1-NH2 3.71Å; E63-R131 PolarHBondContact OE1-NH2 3.33Å; E63-R131 IonicContact OE2-NH2 3.24Å; E63-R131 PolarHBondContact OE2-NH2 2.81Å; E63-F135 HydrophobicContact CB-CE2 4.21Å; E63-F135 HydrophobicContact CB-CZ 3.93Å; E63-F135 HydrophobicContact CG-CZ 4.01Å |
| 64 | Q | 97.1 | Very high | 93.2 | Very high | 140 Ų | 140 | 66.9 Ų | 66.9 | 65% | 0.654 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 173.9 | -74.3 | 172.2 | -14.5 | 0 | 0 | 111.7 | R60 P61 F66 Q67 Y68 | R60-Q64 WeakPolarHBondContact O-CG 3.39Å; R60-Q64 PolarHBondContact O-N 2.81Å; P61-Q64 PolarHBondContact O-N 3.37Å; Q64-F66 VanDerWaalsContact C-N 3.34Å; Q64-Q67 PolarHBondContact O-N 2.76Å; Q64-Y68 PolarHBondContact O-N 2.96Å |
| 65 | Q | 97.4 | Very high | 94 | Very high | 86 Ų | 86 | 66.6 Ų | 66.6 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.5 | -174.6 | 63.6 | 21.1 | 0 | 0 | 111.6 | P61 E63 Y68 L69 Y106 | P61-Q65 PolarHBondContact O-N 3.31Å; E63-Q65 PolarHBondContact O-N 3.25Å; Q65-Y68 PolarHBondContact O-N 3.24Å; Q65-L69 HydrophobicContact CG-CD1 4.45Å; Q65-L69 WeakPolarHBondContact O-CG 3.23Å; Q65-L69 PolarHBondContact O-N 3.42Å; Q65-Y106 HydrophobicContact CB-CD2 4.2Å; Q65-Y106 HydrophobicContact CB-CE2 3.83Å; Q65-Y106 HydrophobicContact CG-CD2 3.54Å; Q65-Y106 HydrophobicContact CG-CE2 3.7Å; Q65-Y106 HydrophobicContact CG-CG 4.43Å |
| 66 | F | 98 | Very high | 94.4 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.9 | -52.4 | 173.4 | 174.2 | -118.5 | 0 | 0 | 0 | 111.8 | I62 E63 Q64 Y68 L69 L70 Y106 F135 K138 L139 | I62-F66 PolarHBondContact O-N 3.32Å; E63-F66 WeakPolarHBondContact O-CB 3.39Å; E63-F66 PolarHBondContact O-N 3.09Å; Q64-F66 VanDerWaalsContact C-N 3.34Å; F66-Y68 VanDerWaalsContact C-N 3.32Å; F66-Y68 PolarHBondContact O-N 2.69Å; F66-L69 PolarHBondContact O-N 2.56Å; F66-L69 VanDerWaalsContact O-N 3.17Å; F66-L70 HydrophobicContact CD1-CD1 4.14Å; F66-L70 HydrophobicContact CD2-CD1 4.44Å; F66-L70 HydrophobicContact CD2-CG 4.32Å; F66-L70 HydrophobicContact CE1-CD1 3.48Å; F66-L70 VanDerWaalsContact CE1-CD1 3.48Å; F66-L70 HydrophobicContact CE1-CG 4.35Å; F66-L70 HydrophobicContact CE2-CD1 3.82Å; F66-L70 HydrophobicContact CE2-CD2 4.21Å; F66-L70 HydrophobicContact CE2-CG 3.92Å; F66-L70 HydrophobicContact CZ-CD1 3.31Å; F66-L70 HydrophobicContact CZ-CD2 4.38Å; F66-L70 HydrophobicContact CZ-CG 3.95Å; F66-L70 PolarHBondContact O-N 3.18Å; F66-Y106 HydrophobicContact CB-CE1 4.37Å; F66-Y106 VanDerWaalsContact CB-OH 3.3Å; F66-Y106 WeakPolarHBondContact CB-OH 3.47Å; F66-Y106 HydrophobicContact CD2-CE1 4.38Å; F66-F135 AromaticContact CD1-CD1 3.83Å; F66-F135 HydrophobicContact CD1-CD1 3.83Å; F66-F135 HydrophobicContact CD1-CE1 4.11Å; F66-F135 HydrophobicContact CD1-CG 4.38Å; F66-F135 HydrophobicContact CD2-CB 3.96Å; F66-F135 HydrophobicContact CD2-CD1 4.43Å; F66-F135 HydrophobicContact CD2-CG 4.35Å; F66-F135 AromaticContact CE1-CD1 3.88Å; F66-F135 HydrophobicContact CE1-CD1 3.88Å; F66-F135 HydrophobicContact CE1-CE1 4.3Å; F66-F135 HydrophobicContact CE2-CB 4.17Å; F66-F135 HydrophobicContact CE2-CD1 4.47Å; F66-F135 VanDerWaalsContact CE2-O 3.29Å; F66-F135 WeakPolarHBondContact CE2-O 3.13Å; F66-F135 HydrophobicContact CG-CB 4.3Å; F66-F135 HydrophobicContact CG-CD1 4.1Å; F66-F135 HydrophobicContact CG-CG 4.2Å; F66-F135 HydrophobicContact CZ-CD1 4.19Å; F66-K138 HydrophobicContact CE2-CB 3.97Å; F66-K138 HydrophobicContact CZ-CB 3.63Å; F66-K138 HydrophobicContact CZ-CD 4.02Å; F66-K138 HydrophobicContact CZ-CG 4.48Å; F66-L139 HydrophobicContact CD2-CB 4.38Å; F66-L139 HydrophobicContact CE2-CB 4.05Å |
| 67 | Q | 97.9 | Very high | 94.5 | Very high | 91 Ų | 91 | 65.2 Ų | 65.2 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | -178.9 | -67.8 | -59.5 | -24.5 | 0 | 0 | 111.6 | E63 Q64 L69 L70 T71 | E63-Q67 WeakPolarHBondContact O-CG 3.37Å; E63-Q67 PolarHBondContact O-N 3.24Å; Q64-Q67 PolarHBondContact O-N 2.76Å; Q67-L69 PolarHBondContact O-N 2.81Å; Q67-L70 PolarHBondContact O-N 3.32Å; Q67-T71 WeakPolarHBondContact O-CB 3.33Å; Q67-T71 PolarHBondContact O-N 2.85Å; Q67-T71 PolarHBondContact O-OG1 3.11Å; Q67-T71 VanDerWaalsContact O-OG1 3.04Å |
| 68 | Y | 97.8 | Very high | 94.6 | Very high | 123 Ų | 123 | 62.9 Ų | 62.9 | 48% | 0.482 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.5 | -47.7 | 173.8 | 171.3 | -95 | 0 | 0 | 0 | 112.2 | Q64 Q65 F66 T71 K72 | Q64-Y68 PolarHBondContact O-N 2.96Å; Q65-Y68 PolarHBondContact O-N 3.24Å; F66-Y68 VanDerWaalsContact C-N 3.32Å; F66-Y68 PolarHBondContact O-N 2.69Å; Y68-T71 PolarHBondContact O-N 3.07Å; Y68-K72 HydrophobicContact CD1-CG 4.41Å; Y68-K72 HydrophobicContact CD2-CG 4.45Å; Y68-K72 HydrophobicContact CE1-CG 3.96Å; Y68-K72 HydrophobicContact CE2-CD 4.44Å; Y68-K72 HydrophobicContact CE2-CG 4.04Å; Y68-K72 WeakPolarHBondContact O-CB 3.31Å; Y68-K72 VanDerWaalsContact O-CG 3.32Å; Y68-K72 WeakPolarHBondContact O-CG 3.47Å; Y68-K72 PolarHBondContact O-N 3.12Å |
| 69 | L | 98.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 179.7 | -67.7 | 174.9 | 0 | 0 | 0 | 112.1 | Q65 F66 Q67 K72 A73 F99 Y106 L139 | Q65-L69 HydrophobicContact CG-CD1 4.45Å; Q65-L69 WeakPolarHBondContact O-CG 3.23Å; Q65-L69 PolarHBondContact O-N 3.42Å; F66-L69 PolarHBondContact O-N 2.56Å; F66-L69 VanDerWaalsContact O-N 3.17Å; Q67-L69 PolarHBondContact O-N 2.81Å; L69-K72 PolarHBondContact O-N 2.93Å; L69-A73 PolarHBondContact O-N 2.97Å; L69-F99 HydrophobicContact CD2-CE2 4.09Å; L69-F99 HydrophobicContact CD2-CZ 4.47Å; L69-Y106 HydrophobicContact CD1-CD1 3.64Å; L69-Y106 HydrophobicContact CD1-CD2 4.31Å; L69-Y106 HydrophobicContact CD1-CE1 4.3Å; L69-Y106 HydrophobicContact CD1-CG 3.65Å; L69-L139 HydrophobicContact CB-CD1 3.97Å; L69-L139 HydrophobicContact CB-CD2 4.49Å; L69-L139 HydrophobicContact CD1-CD2 3.88Å |
| 70 | L | 97.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 60.3 Ų | 60.3 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -50.4 | 174.2 | -74.1 | -175.4 | 0 | 0 | 0 | 111.7 | F66 Q67 K72 A73 D74 L139 R142 | F66-L70 HydrophobicContact CD1-CD1 4.14Å; F66-L70 HydrophobicContact CD2-CD1 4.44Å; F66-L70 HydrophobicContact CD2-CG 4.32Å; F66-L70 HydrophobicContact CE1-CD1 3.48Å; F66-L70 VanDerWaalsContact CE1-CD1 3.48Å; F66-L70 HydrophobicContact CE1-CG 4.35Å; F66-L70 HydrophobicContact CE2-CD1 3.82Å; F66-L70 HydrophobicContact CE2-CD2 4.21Å; F66-L70 HydrophobicContact CE2-CG 3.92Å; F66-L70 HydrophobicContact CZ-CD1 3.31Å; F66-L70 HydrophobicContact CZ-CD2 4.38Å; F66-L70 HydrophobicContact CZ-CG 3.95Å; F66-L70 PolarHBondContact O-N 3.18Å; Q67-L70 PolarHBondContact O-N 3.32Å; L70-K72 PolarHBondContact O-N 2.89Å; L70-A73 WeakPolarHBondContact O-CB 3.27Å; L70-A73 PolarHBondContact O-N 2.87Å; L70-D74 PolarHBondContact O-N 2.68Å; L70-L139 HydrophobicContact CD2-CD1 4.13Å; L70-R142 HydrophobicContact CD2-CB 3.72Å; L70-R142 HydrophobicContact CD2-CG 3.83Å |
| 71 | T | 97.1 | Very high | 93.4 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | Q67 Y68 D74 E75 | Q67-T71 WeakPolarHBondContact O-CB 3.33Å; Q67-T71 PolarHBondContact O-N 2.85Å; Q67-T71 PolarHBondContact O-OG1 3.11Å; Q67-T71 VanDerWaalsContact O-OG1 3.04Å; Y68-T71 PolarHBondContact O-N 3.07Å; T71-D74 WeakPolarHBondContact O-CB 3.32Å; T71-D74 PolarHBondContact O-N 2.8Å; T71-E75 HydrophobicContact CG2-CG 4.5Å; T71-E75 WeakPolarHBondContact O-CG 3.37Å; T71-E75 PolarHBondContact O-N 2.92Å |
| 72 | K | 95.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 175.5 | -74.3 | -71.7 | 162.8 | -151 | 0 | 112.9 | Y68 L69 L70 D74 E75 F76 F99 | Y68-K72 HydrophobicContact CD1-CG 4.41Å; Y68-K72 HydrophobicContact CD2-CG 4.45Å; Y68-K72 HydrophobicContact CE1-CG 3.96Å; Y68-K72 HydrophobicContact CE2-CD 4.44Å; Y68-K72 HydrophobicContact CE2-CG 4.04Å; Y68-K72 WeakPolarHBondContact O-CB 3.31Å; Y68-K72 VanDerWaalsContact O-CG 3.32Å; Y68-K72 WeakPolarHBondContact O-CG 3.47Å; Y68-K72 PolarHBondContact O-N 3.12Å; L69-K72 PolarHBondContact O-N 2.93Å; L70-K72 PolarHBondContact O-N 2.89Å; K72-D74 VanDerWaalsContact C-N 3.3Å; K72-D74 PolarHBondContact O-N 2.57Å; K72-E75 IonicContact NZ-OE1 3.8Å; K72-E75 IonicContact NZ-OE2 2.66Å; K72-E75 PolarHBondContact NZ-OE2 2.71Å; K72-E75 PolarHBondContact O-N 2.82Å; K72-F76 WeakPolarHBondContact O-CD2 3.46Å; K72-F76 WeakPolarHBondContact O-CG 3.45Å; K72-F76 PolarHBondContact O-N 2.85Å; K72-F76 VanDerWaalsContact O-N 3.08Å; K72-F99 HydrophobicContact CB-CE2 3.89Å; K72-F99 HydrophobicContact CB-CZ 3.87Å |
| 73 | A | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L69 L70 F76 Q77 F99 R142 L143 L146 | L69-A73 PolarHBondContact O-N 2.97Å; L70-A73 WeakPolarHBondContact O-CB 3.27Å; L70-A73 PolarHBondContact O-N 2.87Å; A73-F76 PolarHBondContact O-N 3.05Å; A73-Q77 PolarHBondContact O-N 3.39Å; A73-F99 HydrophobicContact CB-CE1 3.98Å; A73-F99 HydrophobicContact CB-CZ 4.39Å; A73-R142 HydrophobicContact CB-CG 3.95Å; A73-L143 HydrophobicContact CB-CD2 4.4Å; A73-L146 HydrophobicContact CB-CD2 4.37Å |
| 74 | D | 93.7 | Very high | 89.3 | Confident | 58 Ų | 58 | 71 Ų | 71 | 31% | 0.31 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 177.4 | -60.6 | -11 | 0 | 0 | 0 | 112.2 | L70 T71 K72 F76 Q77 T78 R142 | L70-D74 PolarHBondContact O-N 2.68Å; T71-D74 WeakPolarHBondContact O-CB 3.32Å; T71-D74 PolarHBondContact O-N 2.8Å; K72-D74 VanDerWaalsContact C-N 3.3Å; K72-D74 PolarHBondContact O-N 2.57Å; D74-F76 VanDerWaalsContact C-N 3.34Å; D74-F76 PolarHBondContact O-N 2.81Å; D74-Q77 PolarHBondContact O-N 2.97Å; D74-T78 VanDerWaalsContact O-CB 3.29Å; D74-T78 WeakPolarHBondContact O-CB 3.48Å; D74-T78 PolarHBondContact O-N 3.05Å; D74-T78 PolarHBondContact O-OG1 2.84Å; D74-R142 IonicContact OD1-CZ 3.53Å; D74-R142 IonicContact OD1-NE 3.51Å; D74-R142 PolarHBondContact OD1-NE 3.04Å; D74-R142 IonicContact OD1-NH2 3.39Å; D74-R142 PolarHBondContact OD1-NH2 2.88Å |
| 75 | E | 92.3 | Very high | 87.9 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 175.1 | -75.9 | 174.1 | -168.8 | 0 | 0 | 110.9 | T71 K72 T78 N79 | T71-E75 HydrophobicContact CG2-CG 4.5Å; T71-E75 WeakPolarHBondContact O-CG 3.37Å; T71-E75 PolarHBondContact O-N 2.92Å; K72-E75 IonicContact NZ-OE1 3.8Å; K72-E75 IonicContact NZ-OE2 2.66Å; K72-E75 PolarHBondContact NZ-OE2 2.71Å; K72-E75 PolarHBondContact O-N 2.82Å; E75-T78 PolarHBondContact O-N 3.33Å; E75-N79 WeakPolarHBondContact O-CB 3.3Å; E75-N79 VanDerWaalsContact O-CG 3.25Å; E75-N79 PolarHBondContact O-N 3.06Å; E75-N79 PolarHBondContact O-ND2 3.5Å |
| 76 | F | 90.7 | Very high | 86.3 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 18% | 0.18 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 175.6 | -69.1 | -47 | 0 | 0 | 0 | 111.7 | K72 A73 D74 T78 N79 L80 F92 V95 F99 L146 | K72-F76 WeakPolarHBondContact O-CD2 3.46Å; K72-F76 WeakPolarHBondContact O-CG 3.45Å; K72-F76 PolarHBondContact O-N 2.85Å; K72-F76 VanDerWaalsContact O-N 3.08Å; A73-F76 PolarHBondContact O-N 3.05Å; D74-F76 VanDerWaalsContact C-N 3.34Å; D74-F76 PolarHBondContact O-N 2.81Å; F76-T78 VanDerWaalsContact C-N 3.33Å; F76-T78 PolarHBondContact O-N 3.23Å; F76-N79 PolarHBondContact O-N 3.17Å; F76-L80 WeakPolarHBondContact O-CD1 3.04Å; F76-L80 VanDerWaalsContact O-CG 3.24Å; F76-L80 WeakPolarHBondContact O-CG 3.5Å; F76-L80 PolarHBondContact O-N 3.33Å; F76-F92 HydrophobicContact CB-CE1 4.47Å; F76-F92 HydrophobicContact CD1-CE1 4.27Å; F76-V95 HydrophobicContact CD1-CG1 4.2Å; F76-V95 HydrophobicContact CE1-CG1 3.5Å; F76-V95 VanDerWaalsContact CE1-CG1 3.5Å; F76-V95 HydrophobicContact CE2-CG1 4.49Å; F76-V95 HydrophobicContact CZ-CG1 3.67Å; F76-F99 AromaticContact CD2-CD1 3.9Å; F76-F99 HydrophobicContact CD2-CD1 3.9Å; F76-F99 HydrophobicContact CD2-CE1 4.17Å; F76-F99 HydrophobicContact CD2-CG 4.18Å; F76-F99 HydrophobicContact CE2-CB 3.94Å; F76-F99 AromaticContact CE2-CD1 3.77Å; F76-F99 HydrophobicContact CE2-CD1 3.77Å; F76-F99 AromaticContact CE2-CD2 3.83Å; F76-F99 HydrophobicContact CE2-CD2 3.83Å; F76-F99 HydrophobicContact CE2-CE1 4.19Å; F76-F99 HydrophobicContact CE2-CE2 4.27Å; F76-F99 AromaticContact CE2-CG 3.57Å; F76-F99 HydrophobicContact CE2-CG 3.57Å; F76-F99 HydrophobicContact CE2-CZ 4.43Å; F76-L146 HydrophobicContact CB-CD1 3.82Å; F76-L146 HydrophobicContact CB-CD2 4.25Å; F76-L146 HydrophobicContact CD2-CD2 4.24Å |
| 77 | Q | 87.8 | Confident | 84.7 | Confident | 24 Ų | 24 | 77.1 Ų | 77.1 | 11% | 0.112 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 179 | -156.9 | -175.7 | 15.6 | 0 | 0 | 112.5 | A73 D74 L80 L81 L146 T149 | A73-Q77 PolarHBondContact O-N 3.39Å; D74-Q77 PolarHBondContact O-N 2.97Å; Q77-L80 WeakPolarHBondContact O-CB 3.24Å; Q77-L80 PolarHBondContact O-N 3.01Å; Q77-L81 WeakPolarHBondContact O-CG 3.29Å; Q77-L81 PolarHBondContact O-N 2.77Å; Q77-L146 HydrophobicContact CB-CD1 4.25Å; Q77-T149 HydrophobicContact CG-CG2 4.07Å; Q77-T149 PolarHBondContact NE2-OG1 2.94Å |
| 78 | T | 87.5 | Confident | 83.4 | Confident | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 176 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | D74 E75 F76 L80 L81 Y82 | D74-T78 VanDerWaalsContact O-CB 3.29Å; D74-T78 WeakPolarHBondContact O-CB 3.48Å; D74-T78 PolarHBondContact O-N 3.05Å; D74-T78 PolarHBondContact O-OG1 2.84Å; E75-T78 PolarHBondContact O-N 3.33Å; F76-T78 VanDerWaalsContact C-N 3.33Å; F76-T78 PolarHBondContact O-N 3.23Å; T78-L80 VanDerWaalsContact C-N 3.25Å; T78-L80 PolarHBondContact O-N 3.16Å; T78-L81 PolarHBondContact O-N 3.37Å; T78-L81 VanDerWaalsContact O-N 3.11Å; T78-Y82 HydrophobicContact CG2-CD2 3.64Å; T78-Y82 HydrophobicContact CG2-CE2 3.74Å; T78-Y82 VanDerWaalsContact O-CD2 3.22Å; T78-Y82 WeakPolarHBondContact O-CD2 3.32Å; T78-Y82 PolarHBondContact O-N 3.5Å |
| 79 | N | 85.3 | Confident | 82.2 | Confident | 74 Ų | 74 | 73.5 Ų | 73.5 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59 | -37.5 | 178.4 | -76.2 | -45.6 | 0 | 0 | 0 | 112.3 | E75 F76 R83 F92 | E75-N79 WeakPolarHBondContact O-CB 3.3Å; E75-N79 VanDerWaalsContact O-CG 3.25Å; E75-N79 PolarHBondContact O-N 3.06Å; E75-N79 PolarHBondContact O-ND2 3.5Å; F76-N79 PolarHBondContact O-N 3.17Å; N79-R83 PolarHBondContact O-N 3.39Å; N79-R83 VanDerWaalsContact O-N 3.15Å; N79-F92 HydrophobicContact CB-CZ 4.16Å |
| 80 | L | 83.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.3 | -73.3 | 162.3 | 0 | 0 | 0 | 112.9 | F76 Q77 T78 F92 L146 C150 F155 | F76-L80 WeakPolarHBondContact O-CD1 3.04Å; F76-L80 VanDerWaalsContact O-CG 3.24Å; F76-L80 WeakPolarHBondContact O-CG 3.5Å; F76-L80 PolarHBondContact O-N 3.33Å; Q77-L80 WeakPolarHBondContact O-CB 3.24Å; Q77-L80 PolarHBondContact O-N 3.01Å; T78-L80 VanDerWaalsContact C-N 3.25Å; T78-L80 PolarHBondContact O-N 3.16Å; L80-F92 HydrophobicContact CD1-CD1 4.38Å; L80-F92 HydrophobicContact CD1-CE1 4.18Å; L80-F92 HydrophobicContact CD2-CB 4.42Å; L80-F92 HydrophobicContact CD2-CD1 3.75Å; L80-F92 HydrophobicContact CD2-CD2 3.45Å; L80-F92 VanDerWaalsContact CD2-CD2 3.45Å; L80-F92 HydrophobicContact CD2-CE1 3.75Å; L80-F92 HydrophobicContact CD2-CE2 3.46Å; L80-F92 VanDerWaalsContact CD2-CE2 3.46Å; L80-F92 HydrophobicContact CD2-CG 3.62Å; L80-F92 HydrophobicContact CD2-CZ 3.62Å; L80-F92 HydrophobicContact CG-CD1 4.1Å; L80-F92 HydrophobicContact CG-CD2 4.36Å; L80-F92 HydrophobicContact CG-CE1 3.67Å; L80-F92 HydrophobicContact CG-CE2 3.97Å; L80-F92 HydrophobicContact CG-CG 4.44Å; L80-F92 HydrophobicContact CG-CZ 3.61Å; L80-L146 HydrophobicContact CD1-CD1 3.95Å; L80-C150 WeakPolarHBondContact CD1-SG 3.41Å; L80-F155 HydrophobicContact CD2-CD2 3.39Å; L80-F155 HydrophobicContact CD2-CE2 3.3Å |
| 81 | L | 78.8 | Confident | 80.5 | Confident | 103 Ų | 103 | 81.5 Ų | 81.5 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.1 | -29.6 | -176.9 | -68.1 | 172.6 | 0 | 0 | 0 | 113.2 | Q77 T78 F153 | Q77-L81 WeakPolarHBondContact O-CG 3.29Å; Q77-L81 PolarHBondContact O-N 2.77Å; T78-L81 PolarHBondContact O-N 3.37Å; T78-L81 VanDerWaalsContact O-N 3.11Å; L81-F153 HydrophobicContact CD2-CE2 4.29Å; L81-F153 HydrophobicContact CD2-CZ 4.03Å |
| 82 | Y | 75.8 | Confident | 79.9 | Confident | 192 Ų | 192 | 79 Ų | 79 | 75% | 0.753 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -100.3 | -9.8 | -174.2 | -71.1 | -73.1 | 0 | 0 | 0 | 114.6 | T78 | T78-Y82 HydrophobicContact CG2-CD2 3.64Å; T78-Y82 HydrophobicContact CG2-CE2 3.74Å; T78-Y82 VanDerWaalsContact O-CD2 3.22Å; T78-Y82 WeakPolarHBondContact O-CD2 3.32Å; T78-Y82 PolarHBondContact O-N 3.5Å |
| 83 | R | 65.9 | Low | 79.4 | Confident | 160 Ų | 160 | 78.3 Ų | 78.3 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | trans | -139.8 | 112.1 | 179.8 | -65.3 | -173.5 | -179.1 | -171.9 | 1.7 | 110.4 | N79 Q88 | N79-R83 PolarHBondContact O-N 3.39Å; N79-R83 VanDerWaalsContact O-N 3.15Å; R83-Q88 PolarHBondContact O-OE1 3.38Å; R83-Q88 VanDerWaalsContact O-OE1 3.05Å | ||
| 84 | S | 61.4 | Low | 79 | Confident | 90 Ų | 90 | 82 Ų | 82 | 63% | 0.629 | 42% | 0.42 | S | S | * | . | trans | -122 | 95.2 | 175.1 | -50 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 85 | D | 69 | Low | 78.9 | Confident | 96 Ų | 96 | 81.6 Ų | 81.6 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | trans | -132.1 | 153.1 | 170.3 | -173.5 | 10.1 | 0 | 0 | 0 | 109 | L87 Q88 | D85-L87 VanDerWaalsContact C-N 3.27Å; D85-L87 PolarHBondContact O-N 3.44Å; D85-Q88 WeakPolarHBondContact O-CA 3.5Å; D85-Q88 VanDerWaalsContact O-CB 3.28Å; D85-Q88 WeakPolarHBondContact O-CB 3.45Å; D85-Q88 PolarHBondContact O-N 2.92Å | ||
| 86 | I | 63.8 | Low | 79 | Confident | 134 Ų | 134 | 77.8 Ų | 77.8 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.8 | -36.6 | -175.7 | -62.9 | 172.1 | 0 | 0 | 0 | 111.2 | Q88 K89 | I86-Q88 PolarHBondContact O-N 3.18Å; I86-K89 WeakPolarHBondContact O-CB 3.42Å; I86-K89 PolarHBondContact O-N 3.02Å |
| 87 | L | 62.5 | Low | 79.1 | Confident | 131 Ų | 131 | 77 Ų | 77 | 69% | 0.686 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.9 | -23.1 | 174.6 | -68 | 173.2 | 0 | 0 | 0 | 112.9 | D85 | D85-L87 VanDerWaalsContact C-N 3.27Å; D85-L87 PolarHBondContact O-N 3.44Å |
| 88 | Q | 71.6 | Confident | 79.4 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -77.7 | -28.9 | 174.5 | -59.8 | -137.6 | -29 | 0 | 0 | 112.4 | R83 D85 I86 E90 S91 F92 | R83-Q88 PolarHBondContact O-OE1 3.38Å; R83-Q88 VanDerWaalsContact O-OE1 3.05Å; D85-Q88 WeakPolarHBondContact O-CA 3.5Å; D85-Q88 VanDerWaalsContact O-CB 3.28Å; D85-Q88 WeakPolarHBondContact O-CB 3.45Å; D85-Q88 PolarHBondContact O-N 2.92Å; I86-Q88 PolarHBondContact O-N 3.18Å; Q88-E90 PolarHBondContact O-N 3.09Å; Q88-S91 WeakPolarHBondContact O-CB 3.01Å; Q88-S91 PolarHBondContact O-N 2.78Å; Q88-F92 HydrophobicContact CB-CD2 4.04Å; Q88-F92 HydrophobicContact CB-CE2 4.09Å; Q88-F92 WeakPolarHBondContact O-CD2 3.21Å; Q88-F92 PolarHBondContact O-N 3.35Å |
| 89 | K | 73 | Confident | 79.8 | Confident | 92 Ų | 92 | 76 Ų | 76 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 177.9 | 172.4 | 158.4 | 174.3 | 159.5 | 0 | 111.7 | I86 S91 F92 A93 D154 F155 | I86-K89 WeakPolarHBondContact O-CB 3.42Å; I86-K89 PolarHBondContact O-N 3.02Å; K89-S91 VanDerWaalsContact C-N 3.3Å; K89-S91 PolarHBondContact O-N 2.82Å; K89-F92 PolarHBondContact O-N 3.35Å; K89-A93 VanDerWaalsContact O-CB 3.29Å; K89-A93 WeakPolarHBondContact O-CB 3.18Å; K89-A93 PolarHBondContact O-N 2.77Å; K89-D154 WeakPolarHBondContact CE-O 3.49Å; K89-D154 PolarHBondContact NZ-O 3.21Å; K89-F155 HydrophobicContact CB-CD1 3.51Å; K89-F155 HydrophobicContact CB-CE1 3.69Å; K89-F155 HydrophobicContact CD-CD1 3.99Å; K89-F155 HydrophobicContact CD-CE1 4.47Å; K89-F155 HydrophobicContact CG-CD1 3.63Å; K89-F155 HydrophobicContact CG-CE1 4.26Å |
| 90 | E | 75.9 | Confident | 80.4 | Confident | 141 Ų | 141 | 73 Ų | 73 | 66% | 0.659 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.9 | -36.8 | 178.8 | -67.4 | 177.9 | 175.5 | 0 | 0 | 111.9 | Q88 C94 | Q88-E90 PolarHBondContact O-N 3.09Å; E90-C94 PolarHBondContact O-N 3.42Å |
| 91 | S | 83 | Confident | 81 | Confident | 61 Ų | 61 | 79.9 Ų | 79.9 | 43% | 0.427 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -51.6 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | Q88 K89 A93 C94 V95 | Q88-S91 WeakPolarHBondContact O-CB 3.01Å; Q88-S91 PolarHBondContact O-N 2.78Å; K89-S91 VanDerWaalsContact C-N 3.3Å; K89-S91 PolarHBondContact O-N 2.82Å; S91-A93 PolarHBondContact O-N 2.81Å; S91-C94 PolarHBondContact O-N 3.14Å; S91-C94 VanDerWaalsContact O-N 3.12Å; S91-V95 WeakPolarHBondContact O-CB 3.35Å; S91-V95 WeakPolarHBondContact O-CG2 3.31Å; S91-V95 PolarHBondContact O-N 2.87Å |
| 92 | F | 84.8 | Confident | 81.9 | Confident | 13 Ų | 13 | 79 Ų | 79 | 6% | 0.057 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68 | -33.8 | -179.7 | -79.3 | -70.1 | 0 | 0 | 0 | 113 | F76 N79 L80 Q88 K89 C94 V95 V96 F155 | F76-F92 HydrophobicContact CB-CE1 4.47Å; F76-F92 HydrophobicContact CD1-CE1 4.27Å; N79-F92 HydrophobicContact CB-CZ 4.16Å; L80-F92 HydrophobicContact CD1-CD1 4.38Å; L80-F92 HydrophobicContact CD1-CE1 4.18Å; L80-F92 HydrophobicContact CD2-CB 4.42Å; L80-F92 HydrophobicContact CD2-CD1 3.75Å; L80-F92 HydrophobicContact CD2-CD2 3.45Å; L80-F92 VanDerWaalsContact CD2-CD2 3.45Å; L80-F92 HydrophobicContact CD2-CE1 3.75Å; L80-F92 HydrophobicContact CD2-CE2 3.46Å; L80-F92 VanDerWaalsContact CD2-CE2 3.46Å; L80-F92 HydrophobicContact CD2-CG 3.62Å; L80-F92 HydrophobicContact CD2-CZ 3.62Å; L80-F92 HydrophobicContact CG-CD1 4.1Å; L80-F92 HydrophobicContact CG-CD2 4.36Å; L80-F92 HydrophobicContact CG-CE1 3.67Å; L80-F92 HydrophobicContact CG-CE2 3.97Å; L80-F92 HydrophobicContact CG-CG 4.44Å; L80-F92 HydrophobicContact CG-CZ 3.61Å; Q88-F92 HydrophobicContact CB-CD2 4.04Å; Q88-F92 HydrophobicContact CB-CE2 4.09Å; Q88-F92 WeakPolarHBondContact O-CD2 3.21Å; Q88-F92 PolarHBondContact O-N 3.35Å; K89-F92 PolarHBondContact O-N 3.35Å; F92-C94 PolarHBondContact O-N 3.11Å; F92-V95 PolarHBondContact O-N 2.82Å; F92-V96 HydrophobicContact CD1-CG2 3.96Å; F92-V96 WeakPolarHBondContact O-CB 3.45Å; F92-V96 PolarHBondContact O-N 3.27Å; F92-V96 VanDerWaalsContact O-N 3.09Å; F92-F155 HydrophobicContact CB-CB 4.31Å; F92-F155 HydrophobicContact CB-CD2 4.42Å; F92-F155 HydrophobicContact CB-CG 4.47Å |
| 93 | A | 85.5 | Confident | 82.9 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.6 | -27.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K89 S91 P97 F155 | K89-A93 VanDerWaalsContact O-CB 3.29Å; K89-A93 WeakPolarHBondContact O-CB 3.18Å; K89-A93 PolarHBondContact O-N 2.77Å; S91-A93 PolarHBondContact O-N 2.81Å; A93-P97 VanDerWaalsContact O-CD 3.3Å; A93-P97 WeakPolarHBondContact O-CD 3.4Å; A93-P97 VanDerWaalsContact O-CG 3.24Å; A93-P97 WeakPolarHBondContact O-CG 3.21Å; A93-F155 WeakPolarHBondContact CB-O 3.4Å |
| 94 | C | 88.1 | Confident | 84.4 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 53% | 0.527 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -96.8 | -44.4 | 176 | -175.6 | 0 | 0 | 0 | 0 | 113 | E90 S91 F92 P97 T98 | E90-C94 PolarHBondContact O-N 3.42Å; S91-C94 PolarHBondContact O-N 3.14Å; S91-C94 VanDerWaalsContact O-N 3.12Å; F92-C94 PolarHBondContact O-N 3.11Å; C94-P97 WeakPolarHBondContact O-CD 3.4Å; C94-T98 WeakPolarHBondContact O-CB 3.44Å; C94-T98 PolarHBondContact O-N 2.89Å; C94-T98 VanDerWaalsContact O-N 3.16Å; C94-T98 PolarHBondContact O-OG1 2.89Å |
| 95 | V | 91.6 | Very high | 86.2 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | -172.2 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | F76 S91 F92 T98 F99 | F76-V95 HydrophobicContact CD1-CG1 4.2Å; F76-V95 HydrophobicContact CE1-CG1 3.5Å; F76-V95 VanDerWaalsContact CE1-CG1 3.5Å; F76-V95 HydrophobicContact CE2-CG1 4.49Å; F76-V95 HydrophobicContact CZ-CG1 3.67Å; S91-V95 WeakPolarHBondContact O-CB 3.35Å; S91-V95 WeakPolarHBondContact O-CG2 3.31Å; S91-V95 PolarHBondContact O-N 2.87Å; F92-V95 PolarHBondContact O-N 2.82Å; V95-T98 PolarHBondContact O-N 2.98Å; V95-F99 WeakPolarHBondContact O-CB 3.14Å; V95-F99 PolarHBondContact O-N 3.22Å |
| 96 | V | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.1 | -49.3 | -176.6 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | F92 T98 F99 L100 L146 V147 L156 | F92-V96 HydrophobicContact CD1-CG2 3.96Å; F92-V96 WeakPolarHBondContact O-CB 3.45Å; F92-V96 PolarHBondContact O-N 3.27Å; F92-V96 VanDerWaalsContact O-N 3.09Å; V96-T98 PolarHBondContact O-N 3.04Å; V96-F99 PolarHBondContact O-N 2.92Å; V96-F99 VanDerWaalsContact O-N 3.13Å; V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 2.99Å; V96-L146 HydrophobicContact CG1-CD2 4.44Å; V96-L146 HydrophobicContact CG1-CG 4.46Å; V96-V147 HydrophobicContact CG1-CG2 4.13Å; V96-L156 HydrophobicContact CB-CD1 4.04Å; V96-L156 HydrophobicContact CG1-CD1 3.77Å |
| 97 | P | 93.8 | Very high | 89.2 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 16% | 0.156 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -33.6 | 173.2 | -24.4 | 33.8 | 0 | 0 | 0 | 113.6 | A93 C94 R101 L156 V166 | A93-P97 VanDerWaalsContact O-CD 3.3Å; A93-P97 WeakPolarHBondContact O-CD 3.4Å; A93-P97 VanDerWaalsContact O-CG 3.24Å; A93-P97 WeakPolarHBondContact O-CG 3.21Å; C94-P97 WeakPolarHBondContact O-CD 3.4Å; P97-R101 PolarHBondContact O-N 2.81Å; P97-R101 VanDerWaalsContact O-N 3.15Å; P97-R101 PolarHBondContact O-NE 2.79Å; P97-L156 HydrophobicContact CG-CD2 4.12Å; P97-V166 HydrophobicContact CB-CG2 4.44Å; P97-V166 HydrophobicContact CG-CG2 3.77Å |
| 98 | T | 94.6 | Very high | 90.9 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | C94 V95 V96 L100 R101 T102 | C94-T98 WeakPolarHBondContact O-CB 3.44Å; C94-T98 PolarHBondContact O-N 2.89Å; C94-T98 VanDerWaalsContact O-N 3.16Å; C94-T98 PolarHBondContact O-OG1 2.89Å; V95-T98 PolarHBondContact O-N 2.98Å; V96-T98 PolarHBondContact O-N 3.04Å; T98-L100 PolarHBondContact O-N 3.49Å; T98-R101 WeakPolarHBondContact O-CB 3.47Å; T98-R101 PolarHBondContact O-N 2.82Å; T98-R101 VanDerWaalsContact O-N 3.15Å; T98-T102 WeakPolarHBondContact O-CG2 3.4Å; T98-T102 PolarHBondContact O-N 3.01Å |
| 99 | F | 96.3 | Very high | 92.1 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.1 | 179.7 | -123.2 | 0 | 0 | 0 | 111.9 | L69 K72 A73 F76 V95 V96 R101 T102 C103 L143 L146 | L69-F99 HydrophobicContact CD2-CE2 4.09Å; L69-F99 HydrophobicContact CD2-CZ 4.47Å; K72-F99 HydrophobicContact CB-CE2 3.89Å; K72-F99 HydrophobicContact CB-CZ 3.87Å; A73-F99 HydrophobicContact CB-CE1 3.98Å; A73-F99 HydrophobicContact CB-CZ 4.39Å; F76-F99 AromaticContact CD2-CD1 3.9Å; F76-F99 HydrophobicContact CD2-CD1 3.9Å; F76-F99 HydrophobicContact CD2-CE1 4.17Å; F76-F99 HydrophobicContact CD2-CG 4.18Å; F76-F99 HydrophobicContact CE2-CB 3.94Å; F76-F99 AromaticContact CE2-CD1 3.77Å; F76-F99 HydrophobicContact CE2-CD1 3.77Å; F76-F99 AromaticContact CE2-CD2 3.83Å; F76-F99 HydrophobicContact CE2-CD2 3.83Å; F76-F99 HydrophobicContact CE2-CE1 4.19Å; F76-F99 HydrophobicContact CE2-CE2 4.27Å; F76-F99 AromaticContact CE2-CG 3.57Å; F76-F99 HydrophobicContact CE2-CG 3.57Å; F76-F99 HydrophobicContact CE2-CZ 4.43Å; V95-F99 WeakPolarHBondContact O-CB 3.14Å; V95-F99 PolarHBondContact O-N 3.22Å; V96-F99 PolarHBondContact O-N 2.92Å; V96-F99 VanDerWaalsContact O-N 3.13Å; F99-R101 VanDerWaalsContact C-N 3.26Å; F99-R101 PolarHBondContact O-N 3.44Å; F99-T102 WeakPolarHBondContact CA-OG1 3.43Å; F99-T102 WeakPolarHBondContact CD2-OG1 3.31Å; F99-T102 WeakPolarHBondContact O-CA 3.42Å; F99-T102 PolarHBondContact O-N 3.39Å; F99-T102 PolarHBondContact O-OG1 2.9Å; F99-C103 PolarHBondContact O-N 2.83Å; F99-C103 PolarHBondContact O-SG 2.89Å; F99-C103 VanDerWaalsContact O-SG 3.38Å; F99-L143 HydrophobicContact CD1-CD2 3.96Å; F99-L143 HydrophobicContact CE1-CD2 3.4Å; F99-L143 VanDerWaalsContact CE1-CD2 3.4Å; F99-L143 HydrophobicContact CZ-CD2 4.24Å; F99-L146 HydrophobicContact CD1-CD2 4.04Å; F99-L146 HydrophobicContact CE1-CD2 4.21Å |
| 100 | L | 96.9 | Very high | 93.3 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.1 | -43.2 | 173.6 | -65.9 | 175.9 | 0 | 0 | 0 | 111.8 | V96 T98 T102 C103 Q104 L143 V147 V166 F169 | V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 2.99Å; T98-L100 PolarHBondContact O-N 3.49Å; L100-T102 PolarHBondContact O-N 2.9Å; L100-C103 WeakPolarHBondContact O-CB 3.29Å; L100-C103 PolarHBondContact O-N 2.93Å; L100-Q104 WeakPolarHBondContact O-CG 3.48Å; L100-Q104 PolarHBondContact O-N 2.95Å; L100-L143 HydrophobicContact CD2-CB 3.93Å; L100-L143 HydrophobicContact CD2-CD1 4Å; L100-L143 HydrophobicContact CD2-CD2 4.13Å; L100-L143 HydrophobicContact CD2-CG 4.24Å; L100-V147 HydrophobicContact CD1-CG2 3.8Å; L100-V147 HydrophobicContact CD2-CG2 4.17Å; L100-V147 HydrophobicContact CG-CG2 4.44Å; L100-V166 HydrophobicContact CD1-CG1 3.44Å; L100-V166 VanDerWaalsContact CD1-CG1 3.44Å; L100-F169 HydrophobicContact CD1-CB 4.2Å; L100-F169 HydrophobicContact CD2-CD2 4.46Å; L100-F169 HydrophobicContact CD2-CG 4.37Å |
| 101 | R | 95.9 | Very high | 94.3 | Very high | 144 Ų | 144 | 42.7 Ų | 42.7 | 54% | 0.543 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.1 | -80.3 | 179 | -89 | 159 | -9.8 | 112.4 | P97 T98 F99 C103 Q104 | P97-R101 PolarHBondContact O-N 2.81Å; P97-R101 VanDerWaalsContact O-N 3.15Å; P97-R101 PolarHBondContact O-NE 2.79Å; T98-R101 WeakPolarHBondContact O-CB 3.47Å; T98-R101 PolarHBondContact O-N 2.82Å; T98-R101 VanDerWaalsContact O-N 3.15Å; F99-R101 VanDerWaalsContact C-N 3.26Å; F99-R101 PolarHBondContact O-N 3.44Å; R101-C103 PolarHBondContact O-N 2.91Å; R101-Q104 WeakPolarHBondContact O-CB 3.29Å; R101-Q104 WeakPolarHBondContact O-CG 3.35Å; R101-Q104 PolarHBondContact O-N 2.99Å; R101-Q104 VanDerWaalsContact O-N 3.16Å |
| 102 | T | 96.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 52% | 0.515 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.5 | -23.4 | 176.8 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | T98 F99 L100 P105 | T98-T102 WeakPolarHBondContact O-CG2 3.4Å; T98-T102 PolarHBondContact O-N 3.01Å; F99-T102 WeakPolarHBondContact CA-OG1 3.43Å; F99-T102 WeakPolarHBondContact CD2-OG1 3.31Å; F99-T102 WeakPolarHBondContact O-CA 3.42Å; F99-T102 PolarHBondContact O-N 3.39Å; F99-T102 PolarHBondContact O-OG1 2.9Å; L100-T102 PolarHBondContact O-N 2.9Å; T102-P105 WeakPolarHBondContact O-CD 3.24Å |
| 103 | C | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.7 | -21.4 | 174.1 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | F99 L100 R101 Y106 F107 L143 | F99-C103 PolarHBondContact O-N 2.83Å; F99-C103 PolarHBondContact O-SG 2.89Å; F99-C103 VanDerWaalsContact O-SG 3.38Å; L100-C103 WeakPolarHBondContact O-CB 3.29Å; L100-C103 PolarHBondContact O-N 2.93Å; R101-C103 PolarHBondContact O-N 2.91Å; C103-Y106 WeakPolarHBondContact O-CB 3.38Å; C103-Y106 PolarHBondContact O-N 2.84Å; C103-F107 HydrophobicContact CB-CD2 4.03Å; C103-F107 HydrophobicContact CB-CE2 3.9Å; C103-F107 WeakPolarHBondContact O-CD2 3.19Å; C103-F107 PolarHBondContact O-N 2.93Å; C103-L143 HydrophobicContact CB-CD1 4.02Å |
| 104 | Q | 97.9 | Very high | 95.8 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 33% | 0.327 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.3 | -40.3 | -173 | -60.9 | 180 | -10.3 | 0 | 0 | 114.7 | L100 R101 Y106 F107 T108 Y170 | L100-Q104 WeakPolarHBondContact O-CG 3.48Å; L100-Q104 PolarHBondContact O-N 2.95Å; R101-Q104 WeakPolarHBondContact O-CB 3.29Å; R101-Q104 WeakPolarHBondContact O-CG 3.35Å; R101-Q104 PolarHBondContact O-N 2.99Å; R101-Q104 VanDerWaalsContact O-N 3.16Å; Q104-Y106 VanDerWaalsContact C-N 3.3Å; Q104-Y106 PolarHBondContact O-N 2.96Å; Q104-F107 PolarHBondContact O-N 3.49Å; Q104-T108 WeakPolarHBondContact O-CB 3.31Å; Q104-T108 PolarHBondContact O-N 2.87Å; Q104-T108 PolarHBondContact O-OG1 3.05Å; Q104-Y170 HydrophobicContact CB-CD1 3.7Å; Q104-Y170 HydrophobicContact CB-CE1 4Å; Q104-Y170 HydrophobicContact CG-CD1 3.71Å; Q104-Y170 HydrophobicContact CG-CE1 4.48Å; Q104-Y170 HydrophobicContact CG-CG 4.42Å |
| 105 | P | 97.9 | Very high | 96 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 58% | 0.578 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -63.9 | -36.6 | 175.9 | -22.5 | 35 | 0 | 0 | 0 | 112.3 | T102 T108 Y109 | T102-P105 WeakPolarHBondContact O-CD 3.24Å; P105-T108 PolarHBondContact O-N 3.41Å; P105-Y109 WeakPolarHBondContact O-CB 3.33Å; P105-Y109 PolarHBondContact O-N 3.25Å |
| 106 | Y | 98.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 7% | 0.071 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.5 | -48.2 | 178.2 | -174 | -102.9 | 0 | 0 | 0 | 111 | I62 Q65 F66 L69 C103 Q104 T108 Y109 L110 L139 | I62-Y106 HydrophobicContact CG2-CE2 4.12Å; I62-Y106 WeakPolarHBondContact CG2-OH 3.44Å; I62-Y106 PolarHBondContact O-OH 2.89Å; Q65-Y106 HydrophobicContact CB-CD2 4.2Å; Q65-Y106 HydrophobicContact CB-CE2 3.83Å; Q65-Y106 HydrophobicContact CG-CD2 3.54Å; Q65-Y106 HydrophobicContact CG-CE2 3.7Å; Q65-Y106 HydrophobicContact CG-CG 4.43Å; F66-Y106 HydrophobicContact CB-CE1 4.37Å; F66-Y106 VanDerWaalsContact CB-OH 3.3Å; F66-Y106 WeakPolarHBondContact CB-OH 3.47Å; F66-Y106 HydrophobicContact CD2-CE1 4.38Å; L69-Y106 HydrophobicContact CD1-CD1 3.64Å; L69-Y106 HydrophobicContact CD1-CD2 4.31Å; L69-Y106 HydrophobicContact CD1-CE1 4.3Å; L69-Y106 HydrophobicContact CD1-CG 3.65Å; C103-Y106 WeakPolarHBondContact O-CB 3.38Å; C103-Y106 PolarHBondContact O-N 2.84Å; Q104-Y106 VanDerWaalsContact C-N 3.3Å; Q104-Y106 PolarHBondContact O-N 2.96Å; Y106-T108 PolarHBondContact O-N 2.91Å; Y106-Y109 WeakPolarHBondContact O-CB 3.12Å; Y106-Y109 PolarHBondContact O-N 3.45Å; Y106-L110 HydrophobicContact CD1-CD1 3.89Å; Y106-L110 HydrophobicContact CD1-CG 4.34Å; Y106-L110 HydrophobicContact CE1-CD1 3.33Å; Y106-L110 HydrophobicContact CE1-CD2 4.4Å; Y106-L110 HydrophobicContact CE1-CG 3.95Å; Y106-L110 WeakPolarHBondContact O-CG 3.21Å; Y106-L110 PolarHBondContact O-N 3.23Å; Y106-L139 HydrophobicContact CD1-CD2 3.68Å; Y106-L139 HydrophobicContact CE1-CD2 4.11Å |
| 107 | F | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.3 | -49.8 | 171.9 | -83 | -62.3 | 0 | 0 | 0 | 112.5 | C103 Q104 Y109 L110 E111 S136 L139 C140 L143 I171 | C103-F107 HydrophobicContact CB-CD2 4.03Å; C103-F107 HydrophobicContact CB-CE2 3.9Å; C103-F107 WeakPolarHBondContact O-CD2 3.19Å; C103-F107 PolarHBondContact O-N 2.93Å; Q104-F107 PolarHBondContact O-N 3.49Å; F107-Y109 VanDerWaalsContact C-N 3.27Å; F107-Y109 PolarHBondContact O-N 3.42Å; F107-L110 PolarHBondContact O-N 3.34Å; F107-E111 VanDerWaalsContact O-CB 3.29Å; F107-E111 WeakPolarHBondContact O-CB 3.48Å; F107-E111 VanDerWaalsContact O-CG 3.27Å; F107-E111 WeakPolarHBondContact O-CG 3.5Å; F107-E111 PolarHBondContact O-N 2.64Å; F107-S136 WeakPolarHBondContact CE1-O 3.16Å; F107-L139 HydrophobicContact CD2-CD2 4.49Å; F107-L139 HydrophobicContact CE1-CB 4.23Å; F107-L139 HydrophobicContact CE1-CD2 4.17Å; F107-L139 HydrophobicContact CE1-CG 4.28Å; F107-L139 HydrophobicContact CE2-CD2 3.92Å; F107-L139 HydrophobicContact CE2-CG 4.19Å; F107-L139 HydrophobicContact CZ-CB 4.04Å; F107-L139 HydrophobicContact CZ-CD2 3.73Å; F107-L139 HydrophobicContact CZ-CG 3.67Å; F107-C140 HydrophobicContact CE1-CB 4.2Å; F107-C140 HydrophobicContact CZ-CB 4.29Å; F107-L143 HydrophobicContact CE2-CD1 3.57Å; F107-L143 HydrophobicContact CZ-CD1 3.85Å; F107-I171 WeakPolarHBondContact CB-O 3.5Å; F107-I171 HydrophobicContact CD1-CB 4.18Å; F107-I171 WeakPolarHBondContact CD1-O 3.37Å; F107-I171 HydrophobicContact CE1-CB 4.25Å; F107-I171 HydrophobicContact CE1-CG2 4.45Å; F107-I171 HydrophobicContact CZ-CG2 4.41Å |
| 108 | T | 98 | Very high | 94.9 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.3 | -45.2 | 177.7 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | Q104 P105 Y106 S112 Y170 K173 | Q104-T108 WeakPolarHBondContact O-CB 3.31Å; Q104-T108 PolarHBondContact O-N 2.87Å; Q104-T108 PolarHBondContact O-OG1 3.05Å; P105-T108 PolarHBondContact O-N 3.41Å; Y106-T108 PolarHBondContact O-N 2.91Å; T108-S112 WeakPolarHBondContact O-CB 3.43Å; T108-S112 PolarHBondContact O-N 3.43Å; T108-S112 PolarHBondContact O-OG 3.33Å; T108-Y170 VanDerWaalsContact OG1-CE1 3.26Å; T108-Y170 WeakPolarHBondContact OG1-CE1 3.5Å; T108-Y170 PolarHBondContact OG1-OH 3.28Å; T108-K173 HydrophobicContact CG2-CD 4.35Å; T108-K173 HydrophobicContact CG2-CG 3.83Å |
| 109 | Y | 97.4 | Very high | 93.9 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 43% | 0.427 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -47.6 | 178.8 | 174.4 | -98.3 | 0 | 0 | 0 | 111.9 | I62 P105 Y106 F107 S112 T113 | I62-Y109 HydrophobicContact CD1-CE1 3.66Å; I62-Y109 WeakPolarHBondContact CD1-OH 3.38Å; I62-Y109 HydrophobicContact CG1-CE1 3.81Å; I62-Y109 HydrophobicContact CG2-CE1 4.2Å; P105-Y109 WeakPolarHBondContact O-CB 3.33Å; P105-Y109 PolarHBondContact O-N 3.25Å; Y106-Y109 WeakPolarHBondContact O-CB 3.12Å; Y106-Y109 PolarHBondContact O-N 3.45Å; F107-Y109 VanDerWaalsContact C-N 3.27Å; F107-Y109 PolarHBondContact O-N 3.42Å; Y109-S112 PolarHBondContact O-OG 3.28Å; Y109-T113 WeakPolarHBondContact O-CB 3.34Å; Y109-T113 PolarHBondContact O-N 3.27Å; Y109-T113 PolarHBondContact O-OG1 3.16Å |
| 110 | L | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -52.6 | 178.5 | -65.9 | -177.9 | 0 | 0 | 0 | 111.8 | I62 Y106 F107 T113 A114 L132 F135 | I62-L110 HydrophobicContact CG2-CD2 3.68Å; Y106-L110 HydrophobicContact CD1-CD1 3.89Å; Y106-L110 HydrophobicContact CD1-CG 4.34Å; Y106-L110 HydrophobicContact CE1-CD1 3.33Å; Y106-L110 HydrophobicContact CE1-CD2 4.4Å; Y106-L110 HydrophobicContact CE1-CG 3.95Å; Y106-L110 WeakPolarHBondContact O-CG 3.21Å; Y106-L110 PolarHBondContact O-N 3.23Å; F107-L110 PolarHBondContact O-N 3.34Å; L110-T113 PolarHBondContact O-N 3.31Å; L110-A114 WeakPolarHBondContact O-CB 3.33Å; L110-A114 PolarHBondContact O-N 3.15Å; L110-L132 HydrophobicContact CD2-CB 4.09Å; L110-L132 HydrophobicContact CD2-CD2 3.6Å; L110-L132 HydrophobicContact CD2-CG 4.42Å; L110-F135 HydrophobicContact CD1-CB 3.77Å; L110-F135 HydrophobicContact CD2-CB 4.48Å; L110-F135 HydrophobicContact CD2-CD2 4.41Å |
| 111 | E | 96.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -50 | -176.6 | -72.9 | -65 | 142.6 | 0 | 0 | 112.1 | F107 T113 A114 R115 S136 I171 I183 | F107-E111 VanDerWaalsContact O-CB 3.29Å; F107-E111 WeakPolarHBondContact O-CB 3.48Å; F107-E111 VanDerWaalsContact O-CG 3.27Å; F107-E111 WeakPolarHBondContact O-CG 3.5Å; F107-E111 PolarHBondContact O-N 2.64Å; E111-T113 PolarHBondContact O-N 3.08Å; E111-A114 PolarHBondContact O-N 3.01Å; E111-R115 WeakPolarHBondContact O-CB 3.16Å; E111-R115 PolarHBondContact O-N 2.74Å; E111-R115 IonicContact OE1-NH1 2.74Å; E111-R115 PolarHBondContact OE1-NH1 3.09Å; E111-R115 IonicContact OE2-CZ 2.73Å; E111-R115 IonicContact OE2-NH1 3.51Å; E111-R115 PolarHBondContact OE2-NH1 3.45Å; E111-S136 PolarHBondContact OE1-OG 3.29Å; E111-I171 VanDerWaalsContact CG-O 3.27Å; E111-I171 WeakPolarHBondContact CG-O 3.38Å; E111-I183 HydrophobicContact CG-CD1 4.28Å; E111-I183 VanDerWaalsContact OE2-CD1 3.22Å; E111-I183 WeakPolarHBondContact OE2-CD1 3.27Å |
| 112 | S | 95.4 | Very high | 91 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 178.7 | 63 | 0 | 0 | 0 | 0 | 112.1 | T108 Y109 A114 S116 K173 | T108-S112 WeakPolarHBondContact O-CB 3.43Å; T108-S112 PolarHBondContact O-N 3.43Å; T108-S112 PolarHBondContact O-OG 3.33Å; Y109-S112 PolarHBondContact O-OG 3.28Å; S112-A114 VanDerWaalsContact C-N 3.35Å; S112-S116 WeakPolarHBondContact CA-OG 3.48Å; S112-S116 WeakPolarHBondContact O-CB 3.47Å; S112-S116 PolarHBondContact O-N 2.8Å; S112-S116 PolarHBondContact O-OG 3.19Å; S112-K173 WeakPolarHBondContact CA-O 3.17Å; S112-K173 WeakPolarHBondContact CB-O 3.34Å; S112-K173 PolarHBondContact N-O 2.89Å; S112-K173 VanDerWaalsContact N-O 3.17Å |
| 113 | T | 94.3 | Very high | 90.2 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.9 | -37 | 179.9 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | Y109 L110 E111 L124 L132 | Y109-T113 WeakPolarHBondContact O-CB 3.34Å; Y109-T113 PolarHBondContact O-N 3.27Å; Y109-T113 PolarHBondContact O-OG1 3.16Å; L110-T113 PolarHBondContact O-N 3.31Å; E111-T113 PolarHBondContact O-N 3.08Å; T113-L124 HydrophobicContact CG2-CD1 3.42Å; T113-L124 VanDerWaalsContact CG2-CD1 3.42Å; T113-L124 WeakPolarHBondContact O-CD1 3.2Å; T113-L132 HydrophobicContact CG2-CD1 3.61Å |
| 114 | A | 94.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -81.5 | -31 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L110 E111 S112 R129 L132 L133 | L110-A114 WeakPolarHBondContact O-CB 3.33Å; L110-A114 PolarHBondContact O-N 3.15Å; E111-A114 PolarHBondContact O-N 3.01Å; S112-A114 VanDerWaalsContact C-N 3.35Å; A114-R129 HydrophobicContact CB-CB 4.42Å; A114-R129 VanDerWaalsContact O-CZ 3.29Å; A114-R129 PolarHBondContact O-NE 2.97Å; A114-R129 PolarHBondContact O-NH2 3.2Å; A114-R129 VanDerWaalsContact O-NH2 3.09Å; A114-L132 HydrophobicContact CB-CB 4.17Å; A114-L132 HydrophobicContact CB-CD1 4.39Å; A114-L133 HydrophobicContact CB-CD1 4.43Å; A114-L133 HydrophobicContact CB-CD2 3.46Å; A114-L133 VanDerWaalsContact CB-CD2 3.46Å; A114-L133 HydrophobicContact CB-CG 3.76Å |
| 115 | R | 93.6 | Very high | 89.3 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 4% | 0.038 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -114.1 | -26.3 | -170.6 | -64.9 | -172.5 | 165.4 | 93.8 | 7.3 | 115 | E111 T117 L133 C174 C322 D326 | E111-R115 WeakPolarHBondContact O-CB 3.16Å; E111-R115 PolarHBondContact O-N 2.74Å; E111-R115 IonicContact OE1-NH1 2.74Å; E111-R115 PolarHBondContact OE1-NH1 3.09Å; E111-R115 IonicContact OE2-CZ 2.73Å; E111-R115 IonicContact OE2-NH1 3.51Å; E111-R115 PolarHBondContact OE2-NH1 3.45Å; R115-T117 PolarHBondContact O-N 3.12Å; R115-L133 HydrophobicContact CG-CD2 4.47Å; R115-L133 VanDerWaalsContact CZ-CD2 3.41Å; R115-C174 HydrophobicContact CB-CB 3.72Å; R115-C322 VanDerWaalsContact NH2-CA 3.31Å; R115-C322 PolarHBondContact NH2-O 3.15Å; R115-D326 IonicContact CZ-OD1 2.64Å; R115-D326 VanDerWaalsContact CZ-OD1 3.29Å; R115-D326 IonicContact NE-OD1 2.63Å; R115-D326 PolarHBondContact NE-OD1 3.42Å; R115-D326 IonicContact NH2-OD1 3.02Å; R115-D326 PolarHBondContact NH2-OD1 2.88Å; R115-D326 IonicContact NH2-OD2 2.68Å |
| 116 | S | 92.3 | Very high | 88.9 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | trans | -68.9 | 135.9 | -171.2 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | S112 Q175 | S112-S116 WeakPolarHBondContact CA-OG 3.48Å; S112-S116 WeakPolarHBondContact O-CB 3.47Å; S112-S116 PolarHBondContact O-N 2.8Å; S112-S116 PolarHBondContact O-OG 3.19Å; S116-Q175 CarbonylContact C-O 3.54Å; S116-Q175 WeakPolarHBondContact CA-O 3.45Å; S116-Q175 WeakPolarHBondContact CB-O 3.47Å; S116-Q175 PolarHBondContact OG-N 3.5Å; S116-Q175 PolarHBondContact OG-O 3.25Å | ||
| 117 | T | 86.1 | Confident | 88.6 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -103.8 | 121 | 170.7 | 56.2 | 0 | 0 | 0 | 0 | 108.9 | R115 Q175 I176 D177 | R115-T117 PolarHBondContact O-N 3.12Å; T117-Q175 PolarHBondContact N-O 3.45Å; T117-I176 WeakPolarHBondContact OG1-CA 3.28Å; T117-D177 PolarHBondContact OG1-N 2.89Å; T117-D177 PolarHBondContact OG1-OD1 2.86Å |
| 118 | L | 77.6 | Confident | 88.3 | Confident | 88 Ų | 88 | 74.3 Ų | 74.3 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | trans | -117.6 | 131.6 | 175.2 | -78.8 | 160.7 | 0 | 0 | 0 | 107.7 | Q120 R121 | L118-Q120 PolarHBondContact O-N 3.45Å; L118-R121 HydrophobicContact CB-CB 4.05Å; L118-R121 PolarHBondContact O-N 2.83Å | ||
| 119 | P | 71.9 | Confident | 88.1 | Confident | 130 Ų | 130 | 76.5 Ų | 76.5 | 84% | 0.844 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -25 | -174.7 | -28.3 | 33.9 | 0 | 0 | 0 | 114.9 | ||
| 120 | Q | 72.4 | Confident | 88 | Confident | 196 Ų | 196 | 73.9 Ų | 73.9 | 92% | 0.916 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -0.9 | -175.5 | -63.9 | 173.2 | -5.4 | 0 | 0 | 113.7 | L118 | L118-Q120 PolarHBondContact O-N 3.45Š|
| 121 | R | 76.6 | Confident | 87.9 | Confident | 177 Ų | 177 | 77.9 Ų | 77.9 | 67% | 0.668 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -117.3 | 126.7 | -174.8 | -124.6 | -169.1 | -170.1 | -159.8 | 5.1 | 110.7 | L118 | L118-R121 HydrophobicContact CB-CB 4.05Å; L118-R121 PolarHBondContact O-N 2.83Å |
| 122 | R | 79.2 | Confident | 87.9 | Confident | 233 Ų | 233 | 77.8 Ų | 77.8 | 88% | 0.879 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 138.2 | 168.9 | -73.1 | -171.3 | -177.7 | 176.4 | 1.4 | 109.6 | ||
| 123 | P | 79.8 | Confident | 88 | Confident | 99 Ų | 99 | 77.1 Ų | 77.1 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 143.9 | 172.6 | -22.1 | 32 | 0 | 0 | 0 | 110.6 | ||
| 124 | L | 86.9 | Confident | 88.2 | Confident | 47 Ų | 47 | 78.7 Ų | 78.7 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 151.7 | 172.4 | -71.8 | 175.6 | 0 | 0 | 0 | 110.8 | M55 T113 I128 R129 L132 | M55-L124 HydrophobicContact CE-CD2 3.86Å; T113-L124 HydrophobicContact CG2-CD1 3.42Å; T113-L124 VanDerWaalsContact CG2-CD1 3.42Å; T113-L124 WeakPolarHBondContact O-CD1 3.2Å; L124-I128 HydrophobicContact CD1-CG2 4.08Å; L124-R129 HydrophobicContact CB-CG 3.81Å; L124-R129 WeakPolarHBondContact O-CD 3.13Å; L124-L132 HydrophobicContact CD1-CD1 4.46Å |
| 125 | P | 90.1 | Very high | 88.4 | Confident | 58 Ų | 58 | 79 Ų | 79 | 38% | 0.377 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 142.6 | 171.5 | -26.3 | 35 | 0 | 0 | 0 | 111.7 | Y127 I128 R129 | P125-Y127 VanDerWaalsContact C-N 3.26Å; P125-Y127 HydrophobicContact CB-CD1 3.55Å; P125-Y127 HydrophobicContact CB-CE1 3.4Å; P125-Y127 VanDerWaalsContact CB-CE1 3.4Å; P125-Y127 HydrophobicContact CG-CE1 4.05Å; P125-Y127 PolarHBondContact O-N 3.24Å; P125-I128 HydrophobicContact CB-CG1 4.34Å; P125-I128 WeakPolarHBondContact O-CB 3.06Å; P125-I128 PolarHBondContact O-N 3.26Å; P125-R129 PolarHBondContact O-N 3.03Å; P125-R129 VanDerWaalsContact O-N 3.17Å |
| 126 | M | 90.3 | Very high | 88.6 | Confident | 130 Ų | 130 | 78.6 Ų | 78.6 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -56.3 | -40.2 | -173.8 | -171.2 | 59.8 | -169.4 | 0 | 0 | 112.5 | I128 R129 S130 | M126-I128 VanDerWaalsContact C-N 3.3Å; M126-I128 PolarHBondContact O-N 3.26Å; M126-R129 PolarHBondContact O-N 3.16Å; M126-S130 WeakPolarHBondContact O-CB 3.46Å; M126-S130 PolarHBondContact O-N 2.91Å; M126-S130 PolarHBondContact O-OG 3.3Å; M126-S130 VanDerWaalsContact O-OG 3.09Å |
| 127 | Y | 91.8 | Very high | 88.8 | Confident | 89 Ų | 89 | 79 Ų | 79 | 35% | 0.349 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.8 | -35.7 | 179.5 | 80.4 | -87.2 | 0 | 0 | 0 | 113.2 | M55 P125 R131 | M55-Y127 WeakPolarHBondContact CB-OH 3.42Å; P125-Y127 VanDerWaalsContact C-N 3.26Å; P125-Y127 HydrophobicContact CB-CD1 3.55Å; P125-Y127 HydrophobicContact CB-CE1 3.4Å; P125-Y127 VanDerWaalsContact CB-CE1 3.4Å; P125-Y127 HydrophobicContact CG-CE1 4.05Å; P125-Y127 PolarHBondContact O-N 3.24Å; Y127-R131 WeakPolarHBondContact O-CB 3.43Å; Y127-R131 PolarHBondContact O-N 2.94Å; Y127-R131 VanDerWaalsContact O-N 3.07Å |
| 128 | I | 92.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.7 | -48.1 | 175.5 | -61.6 | -65.7 | 0 | 0 | 0 | 109.6 | M55 L59 L124 P125 M126 S130 R131 L132 | M55-I128 HydrophobicContact CB-CD1 4.09Å; M55-I128 HydrophobicContact CE-CD1 4.2Å; M55-I128 HydrophobicContact CE-CG1 3.84Å; M55-I128 HydrophobicContact CE-CG2 4.33Å; L59-I128 HydrophobicContact CD1-CD1 3.42Å; L59-I128 VanDerWaalsContact CD1-CD1 3.42Å; L59-I128 HydrophobicContact CD2-CD1 4.47Å; L59-I128 HydrophobicContact CD2-CG2 4.38Å; L59-I128 HydrophobicContact CG-CD1 3.99Å; L124-I128 HydrophobicContact CD1-CG2 4.08Å; P125-I128 HydrophobicContact CB-CG1 4.34Å; P125-I128 WeakPolarHBondContact O-CB 3.06Å; P125-I128 PolarHBondContact O-N 3.26Å; M126-I128 VanDerWaalsContact C-N 3.3Å; M126-I128 PolarHBondContact O-N 3.26Å; I128-S130 PolarHBondContact O-N 3.17Å; I128-R131 PolarHBondContact O-N 3.08Å; I128-L132 HydrophobicContact CG2-CD1 4.13Å; I128-L132 HydrophobicContact CG2-CG 4.41Å; I128-L132 WeakPolarHBondContact O-CG 3.47Å; I128-L132 PolarHBondContact O-N 2.79Å |
| 129 | R | 93.8 | Very high | 90.3 | Very high | 77 Ų | 77 | 77.1 Ų | 77.1 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.4 | -53.2 | 178.5 | -62.6 | 174 | 66.6 | 178.1 | 2.5 | 109.9 | A114 L124 P125 M126 R131 L132 L133 | A114-R129 HydrophobicContact CB-CB 4.42Å; A114-R129 VanDerWaalsContact O-CZ 3.29Å; A114-R129 PolarHBondContact O-NE 2.97Å; A114-R129 PolarHBondContact O-NH2 3.2Å; A114-R129 VanDerWaalsContact O-NH2 3.09Å; L124-R129 HydrophobicContact CB-CG 3.81Å; L124-R129 WeakPolarHBondContact O-CD 3.13Å; P125-R129 PolarHBondContact O-N 3.03Å; P125-R129 VanDerWaalsContact O-N 3.17Å; M126-R129 PolarHBondContact O-N 3.16Å; R129-R131 VanDerWaalsContact C-N 3.28Å; R129-R131 PolarHBondContact O-N 2.68Å; R129-L132 PolarHBondContact O-N 2.96Å; R129-L133 VanDerWaalsContact O-CG 3.28Å; R129-L133 WeakPolarHBondContact O-CG 3.38Å; R129-L133 PolarHBondContact O-N 3.01Å |
| 130 | S | 94.7 | Very high | 91.6 | Very high | 54 Ų | 54 | 71 Ų | 71 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.9 | -40.4 | 177.8 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | M126 I128 L133 D134 | M126-S130 WeakPolarHBondContact O-CB 3.46Å; M126-S130 PolarHBondContact O-N 2.91Å; M126-S130 PolarHBondContact O-OG 3.3Å; M126-S130 VanDerWaalsContact O-OG 3.09Å; I128-S130 PolarHBondContact O-N 3.17Å; S130-L133 PolarHBondContact O-N 2.87Å; S130-D134 WeakPolarHBondContact O-CB 3.18Å; S130-D134 PolarHBondContact O-N 3.24Å |
| 131 | R | 95.9 | Very high | 92.7 | Very high | 83 Ų | 83 | 64 Ų | 64 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 179.2 | -168.7 | 165.9 | 178.7 | -173.1 | 0.7 | 112.8 | D56 E63 Y127 I128 R129 L133 D134 F135 | D56-R131 IonicContact OD1-NH1 3.4Å; E63-R131 IonicContact OE1-NH2 3.71Å; E63-R131 PolarHBondContact OE1-NH2 3.33Å; E63-R131 IonicContact OE2-NH2 3.24Å; E63-R131 PolarHBondContact OE2-NH2 2.81Å; Y127-R131 WeakPolarHBondContact O-CB 3.43Å; Y127-R131 PolarHBondContact O-N 2.94Å; Y127-R131 VanDerWaalsContact O-N 3.07Å; I128-R131 PolarHBondContact O-N 3.08Å; R129-R131 VanDerWaalsContact C-N 3.28Å; R129-R131 PolarHBondContact O-N 2.68Å; R131-L133 VanDerWaalsContact C-N 3.33Å; R131-D134 PolarHBondContact O-N 2.93Å; R131-F135 HydrophobicContact CG-CE1 4.34Å; R131-F135 HydrophobicContact CG-CE2 4.25Å; R131-F135 HydrophobicContact CG-CZ 3.95Å; R131-F135 WeakPolarHBondContact O-CG 3.27Å; R131-F135 PolarHBondContact O-N 3.39Å; R131-F135 VanDerWaalsContact O-N 3.12Å |
| 132 | L | 97.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 174 | -64 | 174.5 | 0 | 0 | 0 | 111.5 | L59 I62 L110 T113 A114 L124 I128 R129 F135 S136 | L59-L132 HydrophobicContact CD2-CD2 3.91Å; I62-L132 HydrophobicContact CD1-CD2 4.05Å; I62-L132 HydrophobicContact CG2-CD2 3.96Å; L110-L132 HydrophobicContact CD2-CB 4.09Å; L110-L132 HydrophobicContact CD2-CD2 3.6Å; L110-L132 HydrophobicContact CD2-CG 4.42Å; T113-L132 HydrophobicContact CG2-CD1 3.61Å; A114-L132 HydrophobicContact CB-CB 4.17Å; A114-L132 HydrophobicContact CB-CD1 4.39Å; L124-L132 HydrophobicContact CD1-CD1 4.46Å; I128-L132 HydrophobicContact CG2-CD1 4.13Å; I128-L132 HydrophobicContact CG2-CG 4.41Å; I128-L132 WeakPolarHBondContact O-CG 3.47Å; I128-L132 PolarHBondContact O-N 2.79Å; R129-L132 PolarHBondContact O-N 2.96Å; L132-F135 PolarHBondContact O-N 3.43Å; L132-S136 PolarHBondContact O-N 3.11Å |
| 133 | L | 97.1 | Very high | 94.6 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 176.9 | -65.5 | -174.3 | 0 | 0 | 0 | 112.7 | A114 R115 R129 S130 R131 F135 S136 Q137 C322 | A114-L133 HydrophobicContact CB-CD1 4.43Å; A114-L133 HydrophobicContact CB-CD2 3.46Å; A114-L133 VanDerWaalsContact CB-CD2 3.46Å; A114-L133 HydrophobicContact CB-CG 3.76Å; R115-L133 HydrophobicContact CG-CD2 4.47Å; R115-L133 VanDerWaalsContact CZ-CD2 3.41Å; R129-L133 VanDerWaalsContact O-CG 3.28Å; R129-L133 WeakPolarHBondContact O-CG 3.38Å; R129-L133 PolarHBondContact O-N 3.01Å; S130-L133 PolarHBondContact O-N 2.87Å; R131-L133 VanDerWaalsContact C-N 3.33Å; L133-F135 VanDerWaalsContact C-N 3.35Å; L133-F135 PolarHBondContact O-N 3Å; L133-S136 WeakPolarHBondContact O-CB 3.37Å; L133-S136 PolarHBondContact O-N 3.37Å; L133-Q137 WeakPolarHBondContact O-CB 3.42Å; L133-Q137 PolarHBondContact O-N 3.13Å; L133-C322 PolarHBondContact O-SG 3.12Å |
| 134 | D | 97.6 | Very high | 95.3 | Very high | 64 Ų | 64 | 42.9 Ų | 42.9 | 34% | 0.342 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 173.1 | 179 | 63.8 | 0 | 0 | 0 | 111.8 | S130 R131 Q137 K138 | S130-D134 WeakPolarHBondContact O-CB 3.18Å; S130-D134 PolarHBondContact O-N 3.24Å; R131-D134 PolarHBondContact O-N 2.93Å; D134-Q137 PolarHBondContact O-N 2.95Å; D134-K138 WeakPolarHBondContact O-CB 3.45Å; D134-K138 WeakPolarHBondContact O-CG 3.22Å; D134-K138 PolarHBondContact O-N 3.31Å; D134-K138 WeakPolarHBondContact OD1-CE 3.17Å; D134-K138 IonicContact OD1-NZ 3.02Å; D134-K138 PolarHBondContact OD1-NZ 3.11Å; D134-K138 VanDerWaalsContact OD2-CE 3.26Å; D134-K138 WeakPolarHBondContact OD2-CE 3.05Å; D134-K138 IonicContact OD2-NZ 3.26Å; D134-K138 PolarHBondContact OD2-NZ 3.04Å |
| 135 | F | 98.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 171.9 | -63.1 | -24.6 | 0 | 0 | 0 | 112.2 | I62 E63 F66 L110 R131 L132 L133 L139 | I62-F135 HydrophobicContact CG2-CD2 4.21Å; I62-F135 HydrophobicContact CG2-CE2 4.36Å; E63-F135 HydrophobicContact CB-CE2 4.21Å; E63-F135 HydrophobicContact CB-CZ 3.93Å; E63-F135 HydrophobicContact CG-CZ 4.01Å; F66-F135 AromaticContact CD1-CD1 3.83Å; F66-F135 HydrophobicContact CD1-CD1 3.83Å; F66-F135 HydrophobicContact CD1-CE1 4.11Å; F66-F135 HydrophobicContact CD1-CG 4.38Å; F66-F135 HydrophobicContact CD2-CB 3.96Å; F66-F135 HydrophobicContact CD2-CD1 4.43Å; F66-F135 HydrophobicContact CD2-CG 4.35Å; F66-F135 AromaticContact CE1-CD1 3.88Å; F66-F135 HydrophobicContact CE1-CD1 3.88Å; F66-F135 HydrophobicContact CE1-CE1 4.3Å; F66-F135 HydrophobicContact CE2-CB 4.17Å; F66-F135 HydrophobicContact CE2-CD1 4.47Å; F66-F135 VanDerWaalsContact CE2-O 3.29Å; F66-F135 WeakPolarHBondContact CE2-O 3.13Å; F66-F135 HydrophobicContact CG-CB 4.3Å; F66-F135 HydrophobicContact CG-CD1 4.1Å; F66-F135 HydrophobicContact CG-CG 4.2Å; F66-F135 HydrophobicContact CZ-CD1 4.19Å; L110-F135 HydrophobicContact CD1-CB 3.77Å; L110-F135 HydrophobicContact CD2-CB 4.48Å; L110-F135 HydrophobicContact CD2-CD2 4.41Å; R131-F135 HydrophobicContact CG-CE1 4.34Å; R131-F135 HydrophobicContact CG-CE2 4.25Å; R131-F135 HydrophobicContact CG-CZ 3.95Å; R131-F135 WeakPolarHBondContact O-CG 3.27Å; R131-F135 PolarHBondContact O-N 3.39Å; R131-F135 VanDerWaalsContact O-N 3.12Å; L132-F135 PolarHBondContact O-N 3.43Å; L133-F135 VanDerWaalsContact C-N 3.35Å; L133-F135 PolarHBondContact O-N 3Å; F135-L139 WeakPolarHBondContact O-CB 3.26Å; F135-L139 PolarHBondContact O-N 3.24Å |
| 136 | S | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -50.4 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | F107 E111 L132 L133 K138 L139 C140 | F107-S136 WeakPolarHBondContact CE1-O 3.16Å; E111-S136 PolarHBondContact OE1-OG 3.29Å; L132-S136 PolarHBondContact O-N 3.11Å; L133-S136 WeakPolarHBondContact O-CB 3.37Å; L133-S136 PolarHBondContact O-N 3.37Å; S136-K138 PolarHBondContact O-N 3.49Å; S136-L139 PolarHBondContact O-N 3.29Å; S136-C140 VanDerWaalsContact O-CB 3.25Å; S136-C140 WeakPolarHBondContact O-CB 3.34Å; S136-C140 PolarHBondContact O-N 3.02Å |
| 137 | Q | 97.4 | Very high | 96.2 | Very high | 46 Ų | 46 | 36.1 Ų | 36.1 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | -179.4 | -177 | 59.8 | 50.4 | 0 | 0 | 112.6 | L133 D134 C140 A141 | L133-Q137 WeakPolarHBondContact O-CB 3.42Å; L133-Q137 PolarHBondContact O-N 3.13Å; D134-Q137 PolarHBondContact O-N 2.95Å; Q137-C140 PolarHBondContact O-N 2.73Å; Q137-A141 PolarHBondContact O-N 2.91Å |
| 138 | K | 97.9 | Very high | 96.3 | Very high | 101 Ų | 101 | 34.8 Ų | 34.8 | 44% | 0.439 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.9 | -43.6 | -179.9 | -75.4 | 171.7 | 176.3 | 165.4 | 0 | 112.1 | F66 D134 S136 A141 R142 | F66-K138 HydrophobicContact CE2-CB 3.97Å; F66-K138 HydrophobicContact CZ-CB 3.63Å; F66-K138 HydrophobicContact CZ-CD 4.02Å; F66-K138 HydrophobicContact CZ-CG 4.48Å; D134-K138 WeakPolarHBondContact O-CB 3.45Å; D134-K138 WeakPolarHBondContact O-CG 3.22Å; D134-K138 PolarHBondContact O-N 3.31Å; D134-K138 WeakPolarHBondContact OD1-CE 3.17Å; D134-K138 IonicContact OD1-NZ 3.02Å; D134-K138 PolarHBondContact OD1-NZ 3.11Å; D134-K138 VanDerWaalsContact OD2-CE 3.26Å; D134-K138 WeakPolarHBondContact OD2-CE 3.05Å; D134-K138 IonicContact OD2-NZ 3.26Å; D134-K138 PolarHBondContact OD2-NZ 3.04Å; S136-K138 PolarHBondContact O-N 3.49Å; K138-A141 PolarHBondContact O-N 3.07Å; K138-R142 WeakPolarHBondContact O-CB 3.36Å; K138-R142 PolarHBondContact O-N 2.87Å |
| 139 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.5 | -177.5 | 61.2 | 0 | 0 | 0 | 110.7 | F66 L69 L70 Y106 F107 F135 S136 A141 R142 L143 | F66-L139 HydrophobicContact CD2-CB 4.38Å; F66-L139 HydrophobicContact CE2-CB 4.05Å; L69-L139 HydrophobicContact CB-CD1 3.97Å; L69-L139 HydrophobicContact CB-CD2 4.49Å; L69-L139 HydrophobicContact CD1-CD2 3.88Å; L70-L139 HydrophobicContact CD2-CD1 4.13Å; Y106-L139 HydrophobicContact CD1-CD2 3.68Å; Y106-L139 HydrophobicContact CE1-CD2 4.11Å; F107-L139 HydrophobicContact CD2-CD2 4.49Å; F107-L139 HydrophobicContact CE1-CB 4.23Å; F107-L139 HydrophobicContact CE1-CD2 4.17Å; F107-L139 HydrophobicContact CE1-CG 4.28Å; F107-L139 HydrophobicContact CE2-CD2 3.92Å; F107-L139 HydrophobicContact CE2-CG 4.19Å; F107-L139 HydrophobicContact CZ-CB 4.04Å; F107-L139 HydrophobicContact CZ-CD2 3.73Å; F107-L139 HydrophobicContact CZ-CG 3.67Å; F135-L139 WeakPolarHBondContact O-CB 3.26Å; F135-L139 PolarHBondContact O-N 3.24Å; S136-L139 PolarHBondContact O-N 3.29Å; L139-A141 PolarHBondContact O-N 3.18Å; L139-R142 PolarHBondContact O-N 2.93Å; L139-L143 HydrophobicContact CD1-CD1 4.21Å; L139-L143 HydrophobicContact CD1-CD2 4.4Å; L139-L143 HydrophobicContact CD1-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 3.99Å; L139-L143 HydrophobicContact CG-CG 4.25Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 3.06Å |
| 140 | C | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.7 | -51.3 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | F107 S136 Q137 R142 L143 E144 I171 | F107-C140 HydrophobicContact CE1-CB 4.2Å; F107-C140 HydrophobicContact CZ-CB 4.29Å; S136-C140 VanDerWaalsContact O-CB 3.25Å; S136-C140 WeakPolarHBondContact O-CB 3.34Å; S136-C140 PolarHBondContact O-N 3.02Å; Q137-C140 PolarHBondContact O-N 2.73Å; C140-R142 VanDerWaalsContact C-N 3.3Å; C140-R142 PolarHBondContact O-N 2.74Å; C140-L143 PolarHBondContact O-N 3.24Å; C140-E144 WeakPolarHBondContact O-CB 3.26Å; C140-E144 PolarHBondContact O-N 2.73Å; C140-I171 HydrophobicContact CB-CG2 4.46Å |
| 141 | A | 96.5 | Very high | 96.1 | Very high | 48 Ų | 48 | 29.8 Ų | 29.8 | 40% | 0.397 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q137 K138 L139 E144 Q145 | Q137-A141 PolarHBondContact O-N 2.91Å; K138-A141 PolarHBondContact O-N 3.07Å; L139-A141 PolarHBondContact O-N 3.18Å; A141-E144 PolarHBondContact O-N 2.72Å; A141-Q145 PolarHBondContact O-N 2.86Å |
| 142 | R | 97.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 29.9 Ų | 29.9 | 17% | 0.174 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -42.6 | 179.8 | -167.1 | 66 | -179.3 | 130.3 | 7.5 | 112.8 | L70 A73 D74 K138 L139 C140 Q145 L146 | L70-R142 HydrophobicContact CD2-CB 3.72Å; L70-R142 HydrophobicContact CD2-CG 3.83Å; A73-R142 HydrophobicContact CB-CG 3.95Å; D74-R142 IonicContact OD1-CZ 3.53Å; D74-R142 IonicContact OD1-NE 3.51Å; D74-R142 PolarHBondContact OD1-NE 3.04Å; D74-R142 IonicContact OD1-NH2 3.39Å; D74-R142 PolarHBondContact OD1-NH2 2.88Å; K138-R142 WeakPolarHBondContact O-CB 3.36Å; K138-R142 PolarHBondContact O-N 2.87Å; L139-R142 PolarHBondContact O-N 2.93Å; C140-R142 VanDerWaalsContact C-N 3.3Å; C140-R142 PolarHBondContact O-N 2.74Å; R142-Q145 PolarHBondContact O-N 2.84Å; R142-L146 PolarHBondContact O-N 3.37Å |
| 143 | L | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.5 | -40.1 | 176.2 | -66.7 | 179.4 | 0 | 0 | 0 | 111.6 | A73 F99 L100 C103 F107 L139 C140 Q145 L146 V147 F169 | A73-L143 HydrophobicContact CB-CD2 4.4Å; F99-L143 HydrophobicContact CD1-CD2 3.96Å; F99-L143 HydrophobicContact CE1-CD2 3.4Å; F99-L143 VanDerWaalsContact CE1-CD2 3.4Å; F99-L143 HydrophobicContact CZ-CD2 4.24Å; L100-L143 HydrophobicContact CD2-CB 3.93Å; L100-L143 HydrophobicContact CD2-CD1 4Å; L100-L143 HydrophobicContact CD2-CD2 4.13Å; L100-L143 HydrophobicContact CD2-CG 4.24Å; C103-L143 HydrophobicContact CB-CD1 4.02Å; F107-L143 HydrophobicContact CE2-CD1 3.57Å; F107-L143 HydrophobicContact CZ-CD1 3.85Å; L139-L143 HydrophobicContact CD1-CD1 4.21Å; L139-L143 HydrophobicContact CD1-CD2 4.4Å; L139-L143 HydrophobicContact CD1-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 3.99Å; L139-L143 HydrophobicContact CG-CG 4.25Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 3.06Å; C140-L143 PolarHBondContact O-N 3.24Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.03Å; L143-L146 WeakPolarHBondContact O-CB 3.4Å; L143-L146 PolarHBondContact O-N 3.45Å; L143-V147 WeakPolarHBondContact O-CG2 3.4Å; L143-V147 PolarHBondContact O-N 3.44Å; L143-F169 HydrophobicContact CB-CE2 4.2Å; L143-F169 HydrophobicContact CB-CZ 4.12Å; L143-F169 HydrophobicContact CD1-CE2 4.31Å |
| 144 | E | 96 | Very high | 95 | Very high | 21 Ų | 21 | 38 Ų | 38 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 173.6 | -172.7 | 179.9 | 147.5 | 0 | 0 | 110.7 | C140 A141 L146 V147 L148 F169 R185 R203 | C140-E144 WeakPolarHBondContact O-CB 3.26Å; C140-E144 PolarHBondContact O-N 2.73Å; A141-E144 PolarHBondContact O-N 2.72Å; E144-L146 PolarHBondContact O-N 2.92Å; E144-V147 PolarHBondContact O-N 2.92Å; E144-L148 HydrophobicContact CG-CD1 4.12Å; E144-L148 WeakPolarHBondContact O-CB 3.42Å; E144-L148 WeakPolarHBondContact O-CG 3.47Å; E144-L148 PolarHBondContact O-N 3.2Å; E144-F169 HydrophobicContact CB-CE1 4.39Å; E144-F169 HydrophobicContact CB-CZ 4.43Å; E144-R185 IonicContact OE2-CZ 2.68Å; E144-R185 IonicContact OE2-NE 3.51Å; E144-R185 PolarHBondContact OE2-NE 2.88Å; E144-R185 IonicContact OE2-NH2 3.53Å; E144-R203 VanDerWaalsContact CD-NH1 3.34Å; E144-R203 IonicContact OE1-CZ 2.8Å; E144-R203 IonicContact OE1-NH1 3.09Å; E144-R203 PolarHBondContact OE1-NH1 3.43Å; E144-R203 IonicContact OE1-NH2 3.67Å; E144-R203 PolarHBondContact OE1-NH2 3.47Å; E144-R203 IonicContact OE2-CZ 2.54Å; E144-R203 IonicContact OE2-NH1 3.54Å; E144-R203 IonicContact OE2-NH2 2.97Å |
| 145 | Q | 95.4 | Very high | 94.5 | Very high | 91 Ų | 91 | 36 Ų | 36 | 43% | 0.425 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 176.4 | -171 | -175 | -1.3 | 0 | 0 | 112.7 | A141 R142 L143 T149 | A141-Q145 PolarHBondContact O-N 2.86Å; R142-Q145 PolarHBondContact O-N 2.84Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.03Å; Q145-T149 WeakPolarHBondContact O-CB 3.39Å; Q145-T149 PolarHBondContact O-N 2.75Å; Q145-T149 PolarHBondContact O-OG1 3.22Å |
| 146 | L | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -49.5 | 175.2 | 173.1 | 62.4 | 0 | 0 | 0 | 110.9 | A73 F76 Q77 L80 V96 F99 R142 L143 E144 T149 C150 | A73-L146 HydrophobicContact CB-CD2 4.37Å; F76-L146 HydrophobicContact CB-CD1 3.82Å; F76-L146 HydrophobicContact CB-CD2 4.25Å; F76-L146 HydrophobicContact CD2-CD2 4.24Å; Q77-L146 HydrophobicContact CB-CD1 4.25Å; L80-L146 HydrophobicContact CD1-CD1 3.95Å; V96-L146 HydrophobicContact CG1-CD2 4.44Å; V96-L146 HydrophobicContact CG1-CG 4.46Å; F99-L146 HydrophobicContact CD1-CD2 4.04Å; F99-L146 HydrophobicContact CE1-CD2 4.21Å; R142-L146 PolarHBondContact O-N 3.37Å; L143-L146 WeakPolarHBondContact O-CB 3.4Å; L143-L146 PolarHBondContact O-N 3.45Å; E144-L146 PolarHBondContact O-N 2.92Å; L146-T149 WeakPolarHBondContact O-CB 3.35Å; L146-T149 PolarHBondContact O-N 2.84Å; L146-C150 PolarHBondContact O-N 2.99Å; L146-C150 PolarHBondContact O-SG 3.29Å |
| 147 | V | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | V96 L100 L143 E144 T149 C150 A151 L156 L158 V166 C187 | V96-V147 HydrophobicContact CG1-CG2 4.13Å; L100-V147 HydrophobicContact CD1-CG2 3.8Å; L100-V147 HydrophobicContact CD2-CG2 4.17Å; L100-V147 HydrophobicContact CG-CG2 4.44Å; L143-V147 WeakPolarHBondContact O-CG2 3.4Å; L143-V147 PolarHBondContact O-N 3.44Å; E144-V147 PolarHBondContact O-N 2.92Å; V147-T149 VanDerWaalsContact C-N 3.3Å; V147-T149 PolarHBondContact O-N 2.91Å; V147-C150 PolarHBondContact O-N 3.49Å; V147-A151 WeakPolarHBondContact O-CB 3.48Å; V147-A151 PolarHBondContact O-N 3.22Å; V147-L156 HydrophobicContact CG1-CD1 4.42Å; V147-L158 HydrophobicContact CG1-CD2 3.48Å; V147-L158 VanDerWaalsContact CG1-CD2 3.48Å; V147-V166 HydrophobicContact CG1-CB 4.38Å; V147-V166 HydrophobicContact CG1-CG1 4.13Å; V147-V166 HydrophobicContact CG2-CG1 4.37Å; V147-C187 HydrophobicContact CG1-CB 3.97Å |
| 148 | L | 94.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 32% | 0.319 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 175.4 | -75 | 173.4 | 0 | 0 | 0 | 112.1 | E144 A151 S152 L158 C187 | E144-L148 HydrophobicContact CG-CD1 4.12Å; E144-L148 WeakPolarHBondContact O-CB 3.42Å; E144-L148 WeakPolarHBondContact O-CG 3.47Å; E144-L148 PolarHBondContact O-N 3.2Å; L148-A151 PolarHBondContact O-N 2.91Å; L148-S152 PolarHBondContact O-N 2.92Å; L148-L158 HydrophobicContact CD2-CD1 3.94Å; L148-C187 WeakPolarHBondContact CD2-O 3.5Å |
| 149 | T | 92.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 13% | 0.129 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | Q77 Q145 L146 V147 A151 S152 F153 | Q77-T149 HydrophobicContact CG-CG2 4.07Å; Q77-T149 PolarHBondContact NE2-OG1 2.94Å; Q145-T149 WeakPolarHBondContact O-CB 3.39Å; Q145-T149 PolarHBondContact O-N 2.75Å; Q145-T149 PolarHBondContact O-OG1 3.22Å; L146-T149 WeakPolarHBondContact O-CB 3.35Å; L146-T149 PolarHBondContact O-N 2.84Å; V147-T149 VanDerWaalsContact C-N 3.3Å; V147-T149 PolarHBondContact O-N 2.91Å; T149-A151 VanDerWaalsContact C-N 3.31Å; T149-A151 PolarHBondContact O-N 3.24Å; T149-S152 WeakPolarHBondContact O-CB 3.48Å; T149-S152 PolarHBondContact O-N 2.91Å; T149-S152 VanDerWaalsContact O-N 3.08Å; T149-S152 PolarHBondContact O-OG 3.47Å; T149-F153 HydrophobicContact CG2-CD2 4.19Å; T149-F153 HydrophobicContact CG2-CE2 3.77Å; T149-F153 WeakPolarHBondContact O-CD2 3.46Å; T149-F153 PolarHBondContact O-N 3.44Å |
| 150 | C | 91.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.5 | -42.3 | 176.6 | -66.1 | 0 | 0 | 0 | 0 | 113.1 | L80 L146 V147 S152 F153 D154 F155 L156 | L80-C150 WeakPolarHBondContact CD1-SG 3.41Å; L146-C150 PolarHBondContact O-N 2.99Å; L146-C150 PolarHBondContact O-SG 3.29Å; V147-C150 PolarHBondContact O-N 3.49Å; C150-S152 VanDerWaalsContact C-N 3.29Å; C150-S152 PolarHBondContact O-N 2.94Å; C150-F153 PolarHBondContact O-N 2.71Å; C150-D154 PolarHBondContact O-N 3.45Å; C150-F155 HydrophobicContact CB-CB 4.46Å; C150-F155 WeakPolarHBondContact O-CB 3.37Å; C150-F155 PolarHBondContact O-N 2.99Å; C150-L156 HydrophobicContact CB-CB 4.47Å; C150-L156 HydrophobicContact CB-CD1 3.53Å; C150-L156 HydrophobicContact CB-CG 3.94Å |
| 151 | A | 92.3 | Very high | 92 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V147 L148 T149 F153 D154 L156 L158 | V147-A151 WeakPolarHBondContact O-CB 3.48Å; V147-A151 PolarHBondContact O-N 3.22Å; L148-A151 PolarHBondContact O-N 2.91Å; T149-A151 VanDerWaalsContact C-N 3.31Å; T149-A151 PolarHBondContact O-N 3.24Å; A151-F153 PolarHBondContact O-N 3.16Å; A151-D154 PolarHBondContact O-N 3.31Å; A151-L156 WeakPolarHBondContact CA-O 3.35Å; A151-L158 HydrophobicContact CB-CD1 3.58Å; A151-L158 HydrophobicContact CB-CD2 4.12Å; A151-L158 HydrophobicContact CB-CG 3.68Å |
| 152 | S | 91.1 | Very high | 91.5 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 59% | 0.594 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.9 | -20.7 | 176.9 | 74.9 | 0 | 0 | 0 | 0 | 114.1 | L148 T149 C150 | L148-S152 PolarHBondContact O-N 2.92Å; T149-S152 WeakPolarHBondContact O-CB 3.48Å; T149-S152 PolarHBondContact O-N 2.91Å; T149-S152 VanDerWaalsContact O-N 3.08Å; T149-S152 PolarHBondContact O-OG 3.47Å; C150-S152 VanDerWaalsContact C-N 3.29Å; C150-S152 PolarHBondContact O-N 2.94Å |
| 153 | F | 87.9 | Confident | 90.8 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 12.8 | 172.2 | -67 | -74.9 | 0 | 0 | 0 | 112.8 | L81 T149 C150 A151 F155 | L81-F153 HydrophobicContact CD2-CE2 4.29Å; L81-F153 HydrophobicContact CD2-CZ 4.03Å; T149-F153 HydrophobicContact CG2-CD2 4.19Å; T149-F153 HydrophobicContact CG2-CE2 3.77Å; T149-F153 WeakPolarHBondContact O-CD2 3.46Å; T149-F153 PolarHBondContact O-N 3.44Å; C150-F153 PolarHBondContact O-N 2.71Å; A151-F153 PolarHBondContact O-N 3.16Å; F153-F155 HydrophobicContact CB-CD1 4.37Å; F153-F155 HydrophobicContact CB-CD2 3.55Å; F153-F155 HydrophobicContact CB-CE1 4.25Å; F153-F155 HydrophobicContact CB-CE2 3.36Å; F153-F155 HydrophobicContact CB-CG 4.08Å; F153-F155 HydrophobicContact CB-CZ 3.77Å; F153-F155 HydrophobicContact CD2-CE2 4.32Å; F153-F155 HydrophobicContact CG-CD2 4.42Å; F153-F155 AromaticContact CG-CE2 3.94Å; F153-F155 HydrophobicContact CG-CE2 3.94Å; F153-F155 HydrophobicContact CG-CZ 4.45Å; F153-F155 WeakPolarHBondContact O-CD1 3.42Å; F153-F155 PolarHBondContact O-N 3.07Å; F153-F155 VanDerWaalsContact O-N 3.16Å |
| 154 | D | 88.1 | Confident | 90.2 | Very high | 119 Ų | 119 | 54.9 Ų | 54.9 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 28.4 | -176.2 | -60.6 | -40.5 | 0 | 0 | 0 | 114.1 | K89 C150 A151 | K89-D154 WeakPolarHBondContact CE-O 3.49Å; K89-D154 PolarHBondContact NZ-O 3.21Å; C150-D154 PolarHBondContact O-N 3.45Å; A151-D154 PolarHBondContact O-N 3.31Å |
| 155 | F | 88.1 | Confident | 89.9 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -83.7 | -24 | 175 | -59.4 | -34.7 | 0 | 0 | 0 | 112.7 | L80 K89 F92 A93 C150 F153 | L80-F155 HydrophobicContact CD2-CD2 3.39Å; L80-F155 HydrophobicContact CD2-CE2 3.3Å; K89-F155 HydrophobicContact CB-CD1 3.51Å; K89-F155 HydrophobicContact CB-CE1 3.69Å; K89-F155 HydrophobicContact CD-CD1 3.99Å; K89-F155 HydrophobicContact CD-CE1 4.47Å; K89-F155 HydrophobicContact CG-CD1 3.63Å; K89-F155 HydrophobicContact CG-CE1 4.26Å; F92-F155 HydrophobicContact CB-CB 4.31Å; F92-F155 HydrophobicContact CB-CD2 4.42Å; F92-F155 HydrophobicContact CB-CG 4.47Å; A93-F155 WeakPolarHBondContact CB-O 3.4Å; C150-F155 HydrophobicContact CB-CB 4.46Å; C150-F155 WeakPolarHBondContact O-CB 3.37Å; C150-F155 PolarHBondContact O-N 2.99Å; F153-F155 HydrophobicContact CB-CD1 4.37Å; F153-F155 HydrophobicContact CB-CD2 3.55Å; F153-F155 HydrophobicContact CB-CE1 4.25Å; F153-F155 HydrophobicContact CB-CE2 3.36Å; F153-F155 HydrophobicContact CB-CG 4.08Å; F153-F155 HydrophobicContact CB-CZ 3.77Å; F153-F155 HydrophobicContact CD2-CE2 4.32Å; F153-F155 HydrophobicContact CG-CD2 4.42Å; F153-F155 AromaticContact CG-CE2 3.94Å; F153-F155 HydrophobicContact CG-CE2 3.94Å; F153-F155 HydrophobicContact CG-CZ 4.45Å; F153-F155 WeakPolarHBondContact O-CD1 3.42Å; F153-F155 PolarHBondContact O-N 3.07Å; F153-F155 VanDerWaalsContact O-N 3.16Å |
| 156 | L | 90.5 | Very high | 89.8 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -135.5 | 140.5 | 179.3 | -63.9 | 174.4 | 0 | 0 | 0 | 109.8 | V96 P97 V147 C150 A151 V166 | V96-L156 HydrophobicContact CB-CD1 4.04Å; V96-L156 HydrophobicContact CG1-CD1 3.77Å; P97-L156 HydrophobicContact CG-CD2 4.12Å; V147-L156 HydrophobicContact CG1-CD1 4.42Å; C150-L156 HydrophobicContact CB-CB 4.47Å; C150-L156 HydrophobicContact CB-CD1 3.53Å; C150-L156 HydrophobicContact CB-CG 3.94Å; A151-L156 WeakPolarHBondContact CA-O 3.35Å; L156-V166 HydrophobicContact CD1-CG2 4.26Å; L156-V166 HydrophobicContact CD2-CG2 3.99Å |
| 157 | S | 91.7 | Very high | 89.7 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | trans | -86 | 143.7 | 164.1 | 180 | 0 | 0 | 0 | 0 | 110.4 | E159 E162 S165 V166 | S157-E159 PolarHBondContact OG-N 3.5Å; S157-E162 WeakPolarHBondContact CB-OE2 3.45Å; S157-E162 VanDerWaalsContact OG-CD 3.24Å; S157-E162 PolarHBondContact OG-OE2 2.94Å; S157-S165 CarbonylContact O-C 3.59Å; S157-S165 WeakPolarHBondContact O-CA 3.4Å; S157-S165 WeakPolarHBondContact O-CB 3.16Å; S157-V166 PolarHBondContact O-N 3.05Å | ||
| 158 | L | 92.9 | Very high | 89.7 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | trans | -111.8 | 9 | 173.3 | -53.6 | -176.9 | 0 | 0 | 0 | 112 | V147 L148 A151 V166 S167 C187 R188 | V147-L158 HydrophobicContact CG1-CD2 3.48Å; V147-L158 VanDerWaalsContact CG1-CD2 3.48Å; L148-L158 HydrophobicContact CD2-CD1 3.94Å; A151-L158 HydrophobicContact CB-CD1 3.58Å; A151-L158 HydrophobicContact CB-CD2 4.12Å; A151-L158 HydrophobicContact CB-CG 3.68Å; L158-V166 HydrophobicContact CD2-CB 4.38Å; L158-V166 WeakPolarHBondContact CD2-O 3.5Å; L158-S167 VanDerWaalsContact O-CB 3.27Å; L158-S167 WeakPolarHBondContact O-CB 3.33Å; L158-C187 HydrophobicContact CD1-CB 4.35Å; L158-C187 HydrophobicContact CD2-CB 4.23Å; L158-R188 HydrophobicContact CD1-CB 4.15Å | ||
| 159 | E | 89.3 | Confident | 89.8 | Confident | 102 Ų | 102 | 52 Ų | 52 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | trans | -77.5 | 122.9 | -177.7 | -174.6 | 50.9 | -113.4 | 0 | 0 | 111 | S157 A161 E162 S165 | S157-E159 PolarHBondContact OG-N 3.5Å; E159-A161 HydrophobicContact CG-CB 4.27Å; E159-A161 PolarHBondContact O-N 3.38Å; E159-E162 HydrophobicContact CB-CB 4.4Å; E159-E162 HydrophobicContact CB-CG 4.08Å; E159-E162 HydrophobicContact CG-CG 4.27Å; E159-E162 PolarHBondContact O-N 2.65Å; E159-E162 VanDerWaalsContact O-N 3.09Å; E159-S165 WeakPolarHBondContact O-CB 3.44Å; E159-S165 PolarHBondContact O-OG 2.98Å | ||
| 160 | E | 85.9 | Confident | 90 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.7 | -174 | -169.5 | 171.9 | -156.7 | 0 | 0 | 112 | E162 Y186 K202 | E160-E162 VanDerWaalsContact C-N 3.28Å; E160-E162 PolarHBondContact O-N 2.96Å; E160-Y186 PolarHBondContact OE1-OH 3.29Å; E160-K202 IonicContact OE1-NZ 3.75Å; E160-K202 PolarHBondContact OE1-NZ 3.15Å; E160-K202 IonicContact OE2-NZ 2.69Å; E160-K202 PolarHBondContact OE2-NZ 2.89Å |
| 161 | A | 82.8 | Confident | 90.3 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 65% | 0.653 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E159 | E159-A161 HydrophobicContact CG-CB 4.27Å; E159-A161 PolarHBondContact O-N 3.38Å |
| 162 | E | 86.9 | Confident | 90.6 | Very high | 99 Ų | 99 | 51.8 Ų | 51.8 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -89.1 | 125 | -178.8 | -73.3 | -176.7 | -167.5 | 0 | 0 | 111.8 | S157 E159 E160 A164 S165 | S157-E162 WeakPolarHBondContact CB-OE2 3.45Å; S157-E162 VanDerWaalsContact OG-CD 3.24Å; S157-E162 PolarHBondContact OG-OE2 2.94Å; E159-E162 HydrophobicContact CB-CB 4.4Å; E159-E162 HydrophobicContact CB-CG 4.08Å; E159-E162 HydrophobicContact CG-CG 4.27Å; E159-E162 PolarHBondContact O-N 2.65Å; E159-E162 VanDerWaalsContact O-N 3.09Å; E160-E162 VanDerWaalsContact C-N 3.28Å; E160-E162 PolarHBondContact O-N 2.96Å; E162-A164 PolarHBondContact O-N 3.49Å; E162-A164 VanDerWaalsContact O-N 3.12Å; E162-S165 VanDerWaalsContact O-CB 3.32Å; E162-S165 WeakPolarHBondContact O-CB 3.24Å; E162-S165 PolarHBondContact O-N 3.13Å; E162-S165 PolarHBondContact O-OG 2.81Å; E162-S165 VanDerWaalsContact O-OG 3.11Å |
| 163 | P | 82.1 | Confident | 90.8 | Very high | 143 Ų | 143 | 52.8 Ų | 52.8 | 93% | 0.929 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -27 | -174.5 | -26.7 | 34.4 | 0 | 0 | 0 | 115.7 | ||
| 164 | A | 84 | Confident | 91.2 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 77% | 0.769 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 9.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | E162 | E162-A164 PolarHBondContact O-N 3.49Å; E162-A164 VanDerWaalsContact O-N 3.12Å |
| 165 | S | 90.3 | Very high | 91.4 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -75 | 159.9 | -176.3 | 79.6 | 0 | 0 | 0 | 0 | 113.1 | S157 E159 E162 | S157-S165 CarbonylContact O-C 3.59Å; S157-S165 WeakPolarHBondContact O-CA 3.4Å; S157-S165 WeakPolarHBondContact O-CB 3.16Å; E159-S165 WeakPolarHBondContact O-CB 3.44Å; E159-S165 PolarHBondContact O-OG 2.98Å; E162-S165 VanDerWaalsContact O-CB 3.32Å; E162-S165 WeakPolarHBondContact O-CB 3.24Å; E162-S165 PolarHBondContact O-N 3.13Å; E162-S165 PolarHBondContact O-OG 2.81Å; E162-S165 VanDerWaalsContact O-OG 3.11Å | ||
| 166 | V | 93.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | trans | -114.4 | 50.9 | 172 | -166.2 | 0 | 0 | 0 | 0 | 108.7 | P97 L100 V147 L156 S157 L158 H168 C187 | P97-V166 HydrophobicContact CB-CG2 4.44Å; P97-V166 HydrophobicContact CG-CG2 3.77Å; L100-V166 HydrophobicContact CD1-CG1 3.44Å; L100-V166 VanDerWaalsContact CD1-CG1 3.44Å; V147-V166 HydrophobicContact CG1-CB 4.38Å; V147-V166 HydrophobicContact CG1-CG1 4.13Å; V147-V166 HydrophobicContact CG2-CG1 4.37Å; L156-V166 HydrophobicContact CD1-CG2 4.26Å; L156-V166 HydrophobicContact CD2-CG2 3.99Å; S157-V166 PolarHBondContact O-N 3.05Å; L158-V166 HydrophobicContact CD2-CB 4.38Å; L158-V166 WeakPolarHBondContact CD2-O 3.5Å; V166-H168 PolarHBondContact O-N 3.15Å; V166-C187 PolarHBondContact O-SG 3.3Å | ||
| 167 | S | 93.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -60.6 | -34 | -179.5 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | L158 Y186 C187 | L158-S167 VanDerWaalsContact O-CB 3.27Å; L158-S167 WeakPolarHBondContact O-CB 3.33Å; S167-Y186 WeakPolarHBondContact O-CA 3.42Å; S167-C187 PolarHBondContact O-N 2.75Å |
| 168 | H | 94.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 25% | 0.25 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161.6 | 178.9 | 60.8 | -75.2 | 0 | 0 | 0 | 111.6 | V166 Y184 R185 Y186 | V166-H168 PolarHBondContact O-N 3.15Å; H168-Y184 AromaticContact CD2-CD1 3.92Å; H168-R185 CarbonylContact C-O 3.55Å; H168-R185 WeakPolarHBondContact CA-O 3.45Å; H168-R185 VanDerWaalsContact CB-O 3.24Å; H168-R185 WeakPolarHBondContact CB-O 3.25Å; H168-Y186 HydrophobicContact CB-CD1 3.89Å; H168-Y186 HydrophobicContact CB-CD2 4.32Å; H168-Y186 HydrophobicContact CB-CE1 4.1Å; H168-Y186 HydrophobicContact CB-CG 4Å |
| 169 | F | 96.6 | Very high | 91.1 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 6% | 0.057 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 155.3 | 172.9 | 63.5 | -83 | 0 | 0 | 0 | 111.8 | L100 L143 E144 I171 Y184 R185 C187 | L100-F169 HydrophobicContact CD1-CB 4.2Å; L100-F169 HydrophobicContact CD2-CD2 4.46Å; L100-F169 HydrophobicContact CD2-CG 4.37Å; L143-F169 HydrophobicContact CB-CE2 4.2Å; L143-F169 HydrophobicContact CB-CZ 4.12Å; L143-F169 HydrophobicContact CD1-CE2 4.31Å; E144-F169 HydrophobicContact CB-CE1 4.39Å; E144-F169 HydrophobicContact CB-CZ 4.43Å; F169-I171 HydrophobicContact CD2-CG2 3.63Å; F169-I171 HydrophobicContact CE2-CG2 3.34Å; F169-I171 HydrophobicContact CZ-CG2 4.17Å; F169-Y184 CarbonylContact O-C 3.44Å; F169-Y184 WeakPolarHBondContact O-CA 3.29Å; F169-R185 HydrophobicContact CE1-CB 4.23Å; F169-R185 HydrophobicContact CE1-CG 4.28Å; F169-R185 HydrophobicContact CZ-CB 4.18Å; F169-R185 HydrophobicContact CZ-CG 4.28Å; F169-R185 PolarHBondContact N-O 3.42Å; F169-R185 PolarHBondContact O-N 3.27Å; F169-C187 VanDerWaalsContact CD1-SG 3.59Å |
| 170 | Y | 97.7 | Very high | 91.4 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 129.2 | 179.2 | 171.7 | -90.6 | 0 | 0 | 0 | 110.7 | Q104 T108 G172 K173 Y184 | Q104-Y170 HydrophobicContact CB-CD1 3.7Å; Q104-Y170 HydrophobicContact CB-CE1 4Å; Q104-Y170 HydrophobicContact CG-CD1 3.71Å; Q104-Y170 HydrophobicContact CG-CE1 4.48Å; Q104-Y170 HydrophobicContact CG-CG 4.42Å; T108-Y170 VanDerWaalsContact OG1-CE1 3.26Å; T108-Y170 WeakPolarHBondContact OG1-CE1 3.5Å; T108-Y170 PolarHBondContact OG1-OH 3.28Å; Y170-G172 WeakPolarHBondContact CE2-O 3.41Å; Y170-K173 HydrophobicContact CE2-CB 4.28Å; Y170-K173 VanDerWaalsContact OH-CB 3.26Å; Y170-K173 WeakPolarHBondContact OH-CB 3.02Å; Y170-K173 WeakPolarHBondContact OH-CD 3.06Å; Y170-K173 WeakPolarHBondContact OH-CG 3.39Å; Y170-K173 PolarHBondContact OH-N 2.63Å; Y170-Y184 HydrophobicContact CD2-CD1 4.41Å; Y170-Y184 AromaticContact CD2-CE1 3.87Å; Y170-Y184 HydrophobicContact CD2-CE1 3.87Å; Y170-Y184 HydrophobicContact CD2-CE2 4.49Å; Y170-Y184 AromaticContact CD2-CZ 3.9Å; Y170-Y184 HydrophobicContact CG-CE1 4.35Å |
| 171 | I | 97.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 17.1 | -179.9 | 66.4 | 165.7 | 0 | 0 | 0 | 113.1 | F107 E111 C140 F169 I183 R185 M204 A321 | F107-I171 WeakPolarHBondContact CB-O 3.5Å; F107-I171 HydrophobicContact CD1-CB 4.18Å; F107-I171 WeakPolarHBondContact CD1-O 3.37Å; F107-I171 HydrophobicContact CE1-CB 4.25Å; F107-I171 HydrophobicContact CE1-CG2 4.45Å; F107-I171 HydrophobicContact CZ-CG2 4.41Å; E111-I171 VanDerWaalsContact CG-O 3.27Å; E111-I171 WeakPolarHBondContact CG-O 3.38Å; C140-I171 HydrophobicContact CB-CG2 4.46Å; F169-I171 HydrophobicContact CD2-CG2 3.63Å; F169-I171 HydrophobicContact CE2-CG2 3.34Å; F169-I171 HydrophobicContact CZ-CG2 4.17Å; I171-I183 HydrophobicContact CD1-CB 4.48Å; I171-I183 HydrophobicContact CD1-CG2 3.6Å; I171-I183 HydrophobicContact CG1-CB 3.8Å; I171-I183 HydrophobicContact CG1-CG2 3.42Å; I171-I183 VanDerWaalsContact CG1-CG2 3.42Å; I171-I183 PolarHBondContact N-O 3.13Å; I171-R185 HydrophobicContact CD1-CB 4.34Å; I171-R185 HydrophobicContact CG2-CB 3.86Å; I171-M204 HydrophobicContact CD1-CE 3.77Å; I171-A321 HydrophobicContact CD1-CB 3.88Å |
| 172 | G | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.2 | -177 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y170 I183 | Y170-G172 WeakPolarHBondContact CE2-O 3.41Å; G172-I183 PolarHBondContact O-N 3.2Å |
| 173 | K | 96.6 | Very high | 93.1 | Very high | 106 Ų | 106 | 44 Ų | 44 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 152.8 | 178.3 | 70.5 | -176 | 179.9 | 173.7 | 0 | 110.4 | T108 S112 Y170 L181 | T108-K173 HydrophobicContact CG2-CD 4.35Å; T108-K173 HydrophobicContact CG2-CG 3.83Å; S112-K173 WeakPolarHBondContact CA-O 3.17Å; S112-K173 WeakPolarHBondContact CB-O 3.34Å; S112-K173 PolarHBondContact N-O 2.89Å; S112-K173 VanDerWaalsContact N-O 3.17Å; Y170-K173 HydrophobicContact CE2-CB 4.28Å; Y170-K173 VanDerWaalsContact OH-CB 3.26Å; Y170-K173 WeakPolarHBondContact OH-CB 3.02Å; Y170-K173 WeakPolarHBondContact OH-CD 3.06Å; Y170-K173 WeakPolarHBondContact OH-CG 3.39Å; Y170-K173 PolarHBondContact OH-N 2.63Å; K173-L181 CarbonylContact C-O 3.55Å; K173-L181 WeakPolarHBondContact CA-O 3.44Å; K173-L181 WeakPolarHBondContact CB-O 3.37Å |
| 174 | C | 95.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 165.4 | 171.4 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | R115 L181 | R115-C174 HydrophobicContact CB-CB 3.72Å; C174-L181 PolarHBondContact N-O 3.4Å; C174-L181 PolarHBondContact O-N 2.89Å |
| 175 | Q | 93.4 | Very high | 94.4 | Very high | 95 Ų | 95 | 35.5 Ų | 35.5 | 44% | 0.444 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 116.8 | 177.2 | 179.6 | 174.4 | -1.9 | 0 | 0 | 108.6 | S116 T117 D177 V179 | S116-Q175 CarbonylContact C-O 3.54Å; S116-Q175 WeakPolarHBondContact CA-O 3.45Å; S116-Q175 WeakPolarHBondContact CB-O 3.47Å; S116-Q175 PolarHBondContact OG-N 3.5Å; S116-Q175 PolarHBondContact OG-O 3.25Å; T117-Q175 PolarHBondContact N-O 3.45Å; Q175-D177 PolarHBondContact NE2-O 3.45Å; Q175-V179 WeakPolarHBondContact CA-O 3.18Å |
| 176 | I | 90.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.087 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 109.5 | 178.6 | -58.4 | 166.8 | 0 | 0 | 0 | 106.4 | T117 R178 V179 V329 F333 | T117-I176 WeakPolarHBondContact OG1-CA 3.28Å; I176-R178 PolarHBondContact O-N 2.91Å; I176-R178 VanDerWaalsContact O-N 3.07Å; I176-V179 PolarHBondContact N-O 3.23Å; I176-V179 PolarHBondContact O-N 2.82Å; I176-V329 HydrophobicContact CD1-CB 4.17Å; I176-V329 HydrophobicContact CD1-CG1 3.51Å; I176-V329 HydrophobicContact CD1-CG2 3.5Å; I176-F333 HydrophobicContact CB-CE1 4.3Å; I176-F333 HydrophobicContact CB-CE2 3.73Å; I176-F333 HydrophobicContact CB-CZ 3.51Å; I176-F333 HydrophobicContact CD1-CE2 3.93Å; I176-F333 HydrophobicContact CG1-CE2 4.46Å; I176-F333 HydrophobicContact CG2-CD1 4.25Å; I176-F333 HydrophobicContact CG2-CD2 4.01Å; I176-F333 HydrophobicContact CG2-CE1 3.74Å; I176-F333 HydrophobicContact CG2-CE2 3.5Å; I176-F333 HydrophobicContact CG2-CG 4.37Å; I176-F333 HydrophobicContact CG2-CZ 3.35Å |
| 177 | D | 87.1 | Confident | 94.6 | Very high | 90 Ų | 90 | 33.7 Ų | 33.7 | 48% | 0.481 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -106 | -171.3 | -56 | -22.9 | 0 | 0 | 0 | 112 | T117 Q175 | T117-D177 PolarHBondContact OG1-N 2.89Å; T117-D177 PolarHBondContact OG1-OD1 2.86Å; Q175-D177 PolarHBondContact NE2-O 3.45Å |
| 178 | R | 87.6 | Confident | 94.4 | Very high | 183 Ų | 183 | 40 Ų | 40 | 69% | 0.691 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -1.6 | 177.4 | -62.9 | -172.4 | 179.5 | -171.8 | 2.2 | 113.5 | I176 P211 | I176-R178 PolarHBondContact O-N 2.91Å; I176-R178 VanDerWaalsContact O-N 3.07Å; R178-P211 HydrophobicContact CB-CG 3.87Å; R178-P211 WeakPolarHBondContact O-CD 3.28Å; R178-P211 WeakPolarHBondContact O-CG 3.22Å |
| 179 | V | 91.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.9 | -175.1 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | Q175 I176 V208 E209 R210 F333 | Q175-V179 WeakPolarHBondContact CA-O 3.18Å; I176-V179 PolarHBondContact N-O 3.23Å; I176-V179 PolarHBondContact O-N 2.82Å; V179-V208 HydrophobicContact CG1-CG1 3.46Å; V179-V208 VanDerWaalsContact CG1-CG1 3.46Å; V179-E209 WeakPolarHBondContact CA-O 3.35Å; V179-R210 HydrophobicContact CG1-CG 4.29Å; V179-R210 HydrophobicContact CG2-CG 4.27Å; V179-F333 HydrophobicContact CB-CE1 4.4Å; V179-F333 HydrophobicContact CB-CZ 3.87Å; V179-F333 HydrophobicContact CG1-CZ 4.39Å; V179-F333 HydrophobicContact CG2-CE1 3.97Å; V179-F333 HydrophobicContact CG2-CZ 3.91Å |
| 180 | G | 94.4 | Very high | 93.3 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 137.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V208 E209 | G180-V208 CarbonylContact O-C 3.5Å; G180-V208 WeakPolarHBondContact O-CA 3.27Å; G180-E209 PolarHBondContact N-O 3.43Å; G180-E209 PolarHBondContact O-N 3.37Å |
| 181 | L | 96.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118.8 | 175.7 | -173.3 | 73.8 | 0 | 0 | 0 | 109.6 | K173 C174 I183 W206 N207 V208 T325 L328 V329 | K173-L181 CarbonylContact C-O 3.55Å; K173-L181 WeakPolarHBondContact CA-O 3.44Å; K173-L181 WeakPolarHBondContact CB-O 3.37Å; C174-L181 PolarHBondContact N-O 3.4Å; C174-L181 PolarHBondContact O-N 2.89Å; L181-I183 HydrophobicContact CD2-CG1 4.35Å; L181-I183 HydrophobicContact CG-CG1 4.34Å; L181-W206 HydrophobicContact CD1-CB 3.8Å; L181-W206 HydrophobicContact CD1-CG 4.17Å; L181-N207 WeakPolarHBondContact CA-O 3.49Å; L181-V208 HydrophobicContact CD1-CG2 3.63Å; L181-T325 HydrophobicContact CD2-CG2 3.89Å; L181-L328 HydrophobicContact CD1-CD2 4.19Å; L181-V329 HydrophobicContact CD2-CG2 4.02Å |
| 182 | S | 97.9 | Very high | 92.4 | Very high | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136 | 170.4 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | W206 N207 | S182-W206 CarbonylContact O-C 3.47Å; S182-W206 VanDerWaalsContact O-CA 3.29Å; S182-W206 WeakPolarHBondContact O-CA 3.13Å; S182-N207 PolarHBondContact N-O 3.44Å; S182-N207 PolarHBondContact O-N 3.45Å |
| 183 | I | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.2 | -166.8 | -45.5 | 166 | 0 | 0 | 0 | 110.2 | E111 I171 G172 L181 M204 T325 | E111-I183 HydrophobicContact CG-CD1 4.28Å; E111-I183 VanDerWaalsContact OE2-CD1 3.22Å; E111-I183 WeakPolarHBondContact OE2-CD1 3.27Å; I171-I183 HydrophobicContact CD1-CB 4.48Å; I171-I183 HydrophobicContact CD1-CG2 3.6Å; I171-I183 HydrophobicContact CG1-CB 3.8Å; I171-I183 HydrophobicContact CG1-CG2 3.42Å; I171-I183 VanDerWaalsContact CG1-CG2 3.42Å; I171-I183 PolarHBondContact N-O 3.13Å; G172-I183 PolarHBondContact O-N 3.2Å; L181-I183 HydrophobicContact CD2-CG1 4.35Å; L181-I183 HydrophobicContact CG-CG1 4.34Å; I183-M204 HydrophobicContact CG2-CE 3.72Å; I183-T325 HydrophobicContact CD1-CG2 3.88Å |
| 184 | Y | 97.7 | Very high | 90.8 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 18% | 0.184 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.3 | 179.8 | -58.2 | -96.4 | 0 | 0 | 0 | 111.3 | H168 F169 Y170 M204 R205 | H168-Y184 AromaticContact CD2-CD1 3.92Å; F169-Y184 CarbonylContact O-C 3.44Å; F169-Y184 WeakPolarHBondContact O-CA 3.29Å; Y170-Y184 HydrophobicContact CD2-CD1 4.41Å; Y170-Y184 AromaticContact CD2-CE1 3.87Å; Y170-Y184 HydrophobicContact CD2-CE1 3.87Å; Y170-Y184 HydrophobicContact CD2-CE2 4.49Å; Y170-Y184 AromaticContact CD2-CZ 3.9Å; Y170-Y184 HydrophobicContact CG-CE1 4.35Å; Y184-M204 VanDerWaalsContact O-CA 3.31Å; Y184-M204 WeakPolarHBondContact O-CA 3.42Å; Y184-R205 VanDerWaalsContact CD1-NH2 3.34Å; Y184-R205 VanDerWaalsContact CD2-NH2 3.29Å; Y184-R205 VanDerWaalsContact CE1-NH2 3.34Å; Y184-R205 VanDerWaalsContact CE2-NH2 3.3Å; Y184-R205 VanDerWaalsContact CG-NH2 3.32Å; Y184-R205 VanDerWaalsContact CZ-NH2 3.33Å; Y184-R205 PolarHBondContact N-O 2.99Å; Y184-R205 PolarHBondContact O-N 2.89Å |
| 185 | R | 96.5 | Very high | 89.5 | Confident | 11 Ų | 11 | 44 Ų | 44 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129 | 176.8 | -176.9 | 65.8 | 168.7 | -173.4 | -2.7 | 110 | E144 H168 F169 I171 R203 E318 | E144-R185 IonicContact OE2-CZ 2.68Å; E144-R185 IonicContact OE2-NE 3.51Å; E144-R185 PolarHBondContact OE2-NE 2.88Å; E144-R185 IonicContact OE2-NH2 3.53Å; H168-R185 CarbonylContact C-O 3.55Å; H168-R185 WeakPolarHBondContact CA-O 3.45Å; H168-R185 VanDerWaalsContact CB-O 3.24Å; H168-R185 WeakPolarHBondContact CB-O 3.25Å; F169-R185 HydrophobicContact CE1-CB 4.23Å; F169-R185 HydrophobicContact CE1-CG 4.28Å; F169-R185 HydrophobicContact CZ-CB 4.18Å; F169-R185 HydrophobicContact CZ-CG 4.28Å; F169-R185 PolarHBondContact N-O 3.42Å; F169-R185 PolarHBondContact O-N 3.27Å; I171-R185 HydrophobicContact CD1-CB 4.34Å; I171-R185 HydrophobicContact CG2-CB 3.86Å; R185-R203 VanDerWaalsContact CZ-CZ 3.46Å; R185-R203 VanDerWaalsContact CZ-NE 3.29Å; R185-E318 IonicContact CZ-OE1 2.73Å; R185-E318 IonicContact NH1-OE1 3.29Å; R185-E318 IonicContact NH2-OE1 2.72Å; R185-E318 PolarHBondContact NH2-OE1 3.04Å |
| 186 | Y | 95.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129.3 | 171.2 | -77.2 | -95.7 | 0 | 0 | 0 | 110.3 | E160 S167 H168 R188 A190 K202 R203 R205 F246 | E160-Y186 PolarHBondContact OE1-OH 3.29Å; S167-Y186 WeakPolarHBondContact O-CA 3.42Å; H168-Y186 HydrophobicContact CB-CD1 3.89Å; H168-Y186 HydrophobicContact CB-CD2 4.32Å; H168-Y186 HydrophobicContact CB-CE1 4.1Å; H168-Y186 HydrophobicContact CB-CG 4Å; Y186-R188 VanDerWaalsContact C-N 3.3Å; Y186-R188 PolarHBondContact O-N 3.23Å; Y186-A190 HydrophobicContact CD1-CB 3.86Å; Y186-A190 HydrophobicContact CE1-CB 4.15Å; Y186-K202 HydrophobicContact CD2-CB 4Å; Y186-K202 HydrophobicContact CE1-CD 4.03Å; Y186-K202 HydrophobicContact CE2-CB 3.98Å; Y186-K202 HydrophobicContact CE2-CD 4Å; Y186-K202 HydrophobicContact CG-CB 4.31Å; Y186-R203 PolarHBondContact N-O 2.82Å; Y186-R203 PolarHBondContact O-NH1 3Å; Y186-R205 HydrophobicContact CE2-CB 4Å; Y186-F246 HydrophobicContact CE2-CD1 4.45Å; Y186-F246 HydrophobicContact CE2-CE1 4.29Å |
| 187 | C | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -31.9 | -177.6 | -58.4 | 0 | 0 | 0 | 0 | 112 | V147 L148 L158 V166 S167 F169 | V147-C187 HydrophobicContact CG1-CB 3.97Å; L148-C187 WeakPolarHBondContact CD2-O 3.5Å; L158-C187 HydrophobicContact CD1-CB 4.35Å; L158-C187 HydrophobicContact CD2-CB 4.23Å; V166-C187 PolarHBondContact O-SG 3.3Å; S167-C187 PolarHBondContact O-N 2.75Å; F169-C187 VanDerWaalsContact CD1-SG 3.59Å |
| 188 | R | 88.1 | Confident | 87.9 | Confident | 138 Ų | 138 | 48 Ų | 48 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.9 | 175.6 | -176.2 | -179.5 | -69.2 | 164.5 | -2 | 108.3 | L158 Y186 A190 | L158-R188 HydrophobicContact CD1-CB 4.15Å; Y186-R188 VanDerWaalsContact C-N 3.3Å; Y186-R188 PolarHBondContact O-N 3.23Å; R188-A190 PolarHBondContact O-N 2.91Å |
| 189 | L | 84.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 110.8 | 170.5 | -67.7 | 168.4 | 0 | 0 | 0 | 109.4 | R203 Y249 W278 | L189-R203 HydrophobicContact CD2-CB 4.32Å; L189-Y249 HydrophobicContact CB-CE1 4.06Å; L189-Y249 HydrophobicContact CD1-CD1 4.03Å; L189-Y249 HydrophobicContact CD1-CE1 3.22Å; L189-Y249 HydrophobicContact CD2-CD1 3.56Å; L189-Y249 HydrophobicContact CD2-CE1 3.49Å; L189-Y249 VanDerWaalsContact CD2-CE1 3.49Å; L189-Y249 HydrophobicContact CG-CD1 4.3Å; L189-Y249 HydrophobicContact CG-CE1 3.72Å; L189-W278 HydrophobicContact CD2-CH2 4.23Å |
| 190 | A | 84.3 | Confident | 88 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y186 R188 Y201 K202 | Y186-A190 HydrophobicContact CD1-CB 3.86Å; Y186-A190 HydrophobicContact CE1-CB 4.15Å; R188-A190 PolarHBondContact O-N 2.91Å; A190-Y201 CarbonylContact O-C 3.58Å; A190-Y201 VanDerWaalsContact O-CA 3.23Å; A190-Y201 WeakPolarHBondContact O-CA 3.48Å; A190-K202 PolarHBondContact N-O 3.5Å; A190-K202 PolarHBondContact O-N 3.42Å |
| 191 | P | 88.8 | Confident | 87.9 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 142.3 | 175.4 | -25.9 | 34.9 | 0 | 0 | 0 | 112.3 | L193 K202 | P191-L193 VanDerWaalsContact C-N 3.3Å; P191-L193 PolarHBondContact O-N 3.47Å; P191-K202 WeakPolarHBondContact O-CE 3.4Å; P191-K202 PolarHBondContact O-NZ 2.94Å |
| 192 | Y | 87.4 | Confident | 87.8 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | -39.7 | -179.5 | 176.4 | -109.2 | 0 | 0 | 0 | 113 | L200 K202 F246 W283 G307 Y308 | Y192-L200 WeakPolarHBondContact CB-O 3.31Å; Y192-L200 HydrophobicContact CD1-CD1 4.47Å; Y192-L200 HydrophobicContact CG-CB 4.29Å; Y192-L200 PolarHBondContact N-O 2.91Å; Y192-K202 VanDerWaalsContact C-CE 3.45Å; Y192-K202 HydrophobicContact CD2-CG 4.41Å; Y192-K202 WeakPolarHBondContact O-CE 3.39Å; Y192-K202 PolarHBondContact O-NZ 3.49Å; Y192-F246 HydrophobicContact CE2-CD2 4.11Å; Y192-F246 HydrophobicContact CE2-CG 4.36Å; Y192-W283 AromaticContact CZ-CD1 3.71Å; Y192-W283 WeakPolarHBondContact OH-CA 3.39Å; Y192-G307 PolarHBondContact OH-O 2.99Å; Y192-Y308 HydrophobicContact CD2-CD2 4.11Å; Y192-Y308 AromaticContact CE2-CD2 3.53Å; Y192-Y308 HydrophobicContact CE2-CD2 3.53Å; Y192-Y308 HydrophobicContact CE2-CE2 4.31Å; Y192-Y308 HydrophobicContact CE2-CG 4.32Å; Y192-Y308 AromaticContact CZ-CD2 3.77Å; Y192-Y308 WeakPolarHBondContact OH-CA 3.43Å |
| 193 | L | 84.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.5 | 171.5 | -63.9 | 176.4 | 0 | 0 | 0 | 109.2 | P191 G195 V196 T198 A306 | P191-L193 VanDerWaalsContact C-N 3.3Å; P191-L193 PolarHBondContact O-N 3.47Å; L193-G195 PolarHBondContact O-N 2.54Å; L193-V196 HydrophobicContact CB-CB 4.08Å; L193-V196 HydrophobicContact CD1-CB 4.47Å; L193-T198 HydrophobicContact CD1-CG2 4.06Å; L193-T198 HydrophobicContact CG-CG2 4.35Å; L193-A306 HydrophobicContact CD2-CB 4.22Å |
| 194 | A | 75.9 | Confident | 87.6 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 135.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V196 V303 | A194-V196 PolarHBondContact O-N 2.97Å; A194-V303 HydrophobicContact CB-CG1 3.86Å; A194-V303 HydrophobicContact CB-CG2 4.15Å; A194-V303 WeakPolarHBondContact O-CG1 3.39Å |
| 195 | G | 68.1 | Low | 87.6 | Confident | 91 Ų | 91 | 43 Ų | 43 | 94% | 0.938 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 1.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | L193 | L193-G195 PolarHBondContact O-N 2.54Š|
| 196 | V | 75.4 | Confident | 87.7 | Confident | 68 Ų | 68 | 42.5 Ų | 42.5 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.5 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | L193 A194 T198 | L193-V196 HydrophobicContact CB-CB 4.08Å; L193-V196 HydrophobicContact CD1-CB 4.47Å; A194-V196 PolarHBondContact O-N 2.97Å; V196-T198 HydrophobicContact CG1-CG2 3.98Å; V196-T198 PolarHBondContact O-N 2.97Å; V196-T198 VanDerWaalsContact O-N 3.16Å |
| 197 | H | 78.9 | Confident | 87.8 | Confident | 161 Ų | 161 | 43.4 Ų | 43.4 | 75% | 0.745 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 93.9 | 176.9 | -164 | 69.2 | 0 | 0 | 0 | 110.3 | ||
| 198 | T | 83.6 | Confident | 88 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -9.2 | 177.7 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | L193 V196 L200 | L193-T198 HydrophobicContact CD1-CG2 4.06Å; L193-T198 HydrophobicContact CG-CG2 4.35Å; V196-T198 HydrophobicContact CG1-CG2 3.98Å; V196-T198 PolarHBondContact O-N 2.97Å; V196-T198 VanDerWaalsContact O-N 3.16Å; T198-L200 PolarHBondContact O-N 2.98Å; T198-L200 PolarHBondContact OG1-N 3.17Å |
| 199 | G | 87.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.2 | -1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 200 | L | 91.6 | Very high | 88.7 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135.8 | 177.1 | -70.7 | 164 | 0 | 0 | 0 | 110.6 | Y192 T198 C248 E250 Y308 | Y192-L200 WeakPolarHBondContact CB-O 3.31Å; Y192-L200 HydrophobicContact CD1-CD1 4.47Å; Y192-L200 HydrophobicContact CG-CB 4.29Å; Y192-L200 PolarHBondContact N-O 2.91Å; T198-L200 PolarHBondContact O-N 2.98Å; T198-L200 PolarHBondContact OG1-N 3.17Å; L200-C248 HydrophobicContact CD2-CB 4.06Å; L200-E250 HydrophobicContact CD2-CB 3.86Å; L200-Y308 HydrophobicContact CD1-CD1 3.71Å; L200-Y308 HydrophobicContact CD1-CE1 4.47Å; L200-Y308 HydrophobicContact CD1-CG 3.83Å; L200-Y308 HydrophobicContact CD2-CD1 4.32Å; L200-Y308 HydrophobicContact CD2-CE1 4.31Å |
| 201 | Y | 93.1 | Very high | 88.6 | Confident | 53 Ų | 53 | 43 Ų | 43 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.7 | 177.7 | -58.6 | -92.5 | 0 | 0 | 0 | 111.3 | A190 C248 Y249 | A190-Y201 CarbonylContact O-C 3.58Å; A190-Y201 VanDerWaalsContact O-CA 3.23Å; A190-Y201 WeakPolarHBondContact O-CA 3.48Å; Y201-C248 CarbonylContact O-C 3.58Å; Y201-C248 WeakPolarHBondContact O-CA 3.4Å; Y201-Y249 HydrophobicContact CD2-CD1 4.3Å; Y201-Y249 AromaticContact CD2-CE1 3.59Å; Y201-Y249 HydrophobicContact CD2-CE1 3.59Å; Y201-Y249 HydrophobicContact CD2-CE2 4.22Å; Y201-Y249 AromaticContact CD2-CZ 3.53Å; Y201-Y249 HydrophobicContact CG-CD1 4.38Å; Y201-Y249 AromaticContact CG-CE1 3.64Å; Y201-Y249 HydrophobicContact CG-CE1 3.64Å; Y201-Y249 PolarHBondContact N-O 2.88Å; Y201-Y249 PolarHBondContact O-N 3.4Å |
| 202 | K | 94.3 | Very high | 87.7 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 7% | 0.065 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 141.1 | 178.5 | -51.6 | 172.6 | -168.7 | 163.4 | 0 | 110.8 | E160 Y186 A190 P191 Y192 F246 | E160-K202 IonicContact OE1-NZ 3.75Å; E160-K202 PolarHBondContact OE1-NZ 3.15Å; E160-K202 IonicContact OE2-NZ 2.69Å; E160-K202 PolarHBondContact OE2-NZ 2.89Å; Y186-K202 HydrophobicContact CD2-CB 4Å; Y186-K202 HydrophobicContact CE1-CD 4.03Å; Y186-K202 HydrophobicContact CE2-CB 3.98Å; Y186-K202 HydrophobicContact CE2-CD 4Å; Y186-K202 HydrophobicContact CG-CB 4.31Å; A190-K202 PolarHBondContact N-O 3.5Å; A190-K202 PolarHBondContact O-N 3.42Å; P191-K202 WeakPolarHBondContact O-CE 3.4Å; P191-K202 PolarHBondContact O-NZ 2.94Å; Y192-K202 VanDerWaalsContact C-CE 3.45Å; Y192-K202 HydrophobicContact CD2-CG 4.41Å; Y192-K202 WeakPolarHBondContact O-CE 3.39Å; Y192-K202 PolarHBondContact O-NZ 3.49Å; K202-F246 HydrophobicContact CB-CD1 4.45Å; K202-F246 HydrophobicContact CD-CD1 3.98Å; K202-F246 HydrophobicContact CD-CE1 3.9Å; K202-F246 HydrophobicContact CG-CD1 4.04Å; K202-F246 HydrophobicContact CG-CE1 4.47Å |
| 203 | R | 95.4 | Very high | 86.3 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | -34.1 | 171 | -172.7 | 56.2 | 164.3 | 154.1 | -4.6 | 112.7 | E144 R185 Y186 L189 L247 W278 E318 | E144-R203 VanDerWaalsContact CD-NH1 3.34Å; E144-R203 IonicContact OE1-CZ 2.8Å; E144-R203 IonicContact OE1-NH1 3.09Å; E144-R203 PolarHBondContact OE1-NH1 3.43Å; E144-R203 IonicContact OE1-NH2 3.67Å; E144-R203 PolarHBondContact OE1-NH2 3.47Å; E144-R203 IonicContact OE2-CZ 2.54Å; E144-R203 IonicContact OE2-NH1 3.54Å; E144-R203 IonicContact OE2-NH2 2.97Å; R185-R203 VanDerWaalsContact CZ-CZ 3.46Å; R185-R203 VanDerWaalsContact CZ-NE 3.29Å; Y186-R203 PolarHBondContact N-O 2.82Å; Y186-R203 PolarHBondContact O-NH1 3Å; L189-R203 HydrophobicContact CD2-CB 4.32Å; R203-L247 HydrophobicContact CB-CD2 4.08Å; R203-L247 HydrophobicContact CB-CG 4.24Å; R203-L247 HydrophobicContact CG-CD2 4.12Å; R203-L247 PolarHBondContact N-O 3.24Å; R203-W278 HydrophobicContact CB-CH2 4.1Å; R203-W278 HydrophobicContact CB-CZ3 3.54Å; R203-W278 HydrophobicContact CG-CH2 3.93Å; R203-W278 HydrophobicContact CG-CZ3 3.72Å; R203-E318 IonicContact CZ-OE1 2.91Å; R203-E318 IonicContact NE-OE1 3.17Å; R203-E318 PolarHBondContact NE-OE1 3.03Å; R203-E318 IonicContact NE-OE2 2.73Å; R203-E318 IonicContact NH2-OE1 2.82Å; R203-E318 PolarHBondContact NH2-OE1 3.2Å; R203-E318 IonicContact NH2-OE2 3.62Å |
| 204 | M | 96.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 154.8 | 173.7 | -61.6 | -176.7 | 65.5 | 0 | 0 | 110.7 | I171 I183 Y184 W206 F246 L247 A321 A324 | I171-M204 HydrophobicContact CD1-CE 3.77Å; I183-M204 HydrophobicContact CG2-CE 3.72Å; Y184-M204 VanDerWaalsContact O-CA 3.31Å; Y184-M204 WeakPolarHBondContact O-CA 3.42Å; M204-W206 HydrophobicContact CB-CH2 3.73Å; M204-W206 HydrophobicContact CB-CZ2 4.04Å; M204-W206 HydrophobicContact CB-CZ3 3.99Å; M204-W206 HydrophobicContact CE-CH2 4.34Å; M204-W206 HydrophobicContact CE-CZ2 3.61Å; M204-W206 HydrophobicContact CG-CH2 4.47Å; M204-W206 HydrophobicContact SD-CH2 4.09Å; M204-W206 HydrophobicContact SD-CZ2 3.89Å; M204-F246 VanDerWaalsContact O-CA 3.29Å; M204-F246 WeakPolarHBondContact O-CA 3.35Å; M204-L247 HydrophobicContact CB-CB 3.9Å; M204-L247 HydrophobicContact CB-CD2 4.42Å; M204-L247 HydrophobicContact CG-CB 4.43Å; M204-L247 HydrophobicContact CG-CD2 4.04Å; M204-L247 PolarHBondContact N-O 3.11Å; M204-L247 PolarHBondContact O-N 3.03Å; M204-L247 HydrophobicContact SD-CD2 4.07Å; M204-A321 HydrophobicContact CE-CB 3.65Å; M204-A321 VanDerWaalsContact SD-CA 3.56Å; M204-A321 HydrophobicContact SD-CB 3.8Å; M204-A324 HydrophobicContact SD-CB 4.13Å |
| 205 | R | 97.1 | Very high | 83 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 15% | 0.151 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.2 | 169.7 | 179.5 | -173.6 | 78 | -157.5 | -4.9 | 109.5 | Y184 Y186 N207 Y245 F246 | Y184-R205 VanDerWaalsContact CD1-NH2 3.34Å; Y184-R205 VanDerWaalsContact CD2-NH2 3.29Å; Y184-R205 VanDerWaalsContact CE1-NH2 3.34Å; Y184-R205 VanDerWaalsContact CE2-NH2 3.3Å; Y184-R205 VanDerWaalsContact CG-NH2 3.32Å; Y184-R205 VanDerWaalsContact CZ-NH2 3.33Å; Y184-R205 PolarHBondContact N-O 2.99Å; Y184-R205 PolarHBondContact O-N 2.89Å; Y186-R205 HydrophobicContact CE2-CB 4Å; R205-N207 WeakPolarHBondContact CD-OD1 3.42Å; R205-N207 PolarHBondContact NE-OD1 3.36Å; R205-Y245 CarbonylContact C-O 3.55Å; R205-Y245 VanDerWaalsContact CA-O 3.31Å; R205-Y245 WeakPolarHBondContact CA-O 3.29Å; R205-F246 HydrophobicContact CB-CD1 3.85Å; R205-F246 HydrophobicContact CB-CE1 3.64Å; R205-F246 HydrophobicContact CB-CZ 4.36Å; R205-F246 HydrophobicContact CG-CD1 4.09Å; R205-F246 HydrophobicContact CG-CE1 3.56Å; R205-F246 HydrophobicContact CG-CE2 4.44Å; R205-F246 HydrophobicContact CG-CZ 3.77Å |
| 206 | W | 98.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.1 | 166.2 | -61.8 | -94.9 | 0 | 0 | 0 | 109.9 | L181 S182 M204 Y244 Y245 L247 I280 A324 T325 L328 | L181-W206 HydrophobicContact CD1-CB 3.8Å; L181-W206 HydrophobicContact CD1-CG 4.17Å; S182-W206 CarbonylContact O-C 3.47Å; S182-W206 VanDerWaalsContact O-CA 3.29Å; S182-W206 WeakPolarHBondContact O-CA 3.13Å; M204-W206 HydrophobicContact CB-CH2 3.73Å; M204-W206 HydrophobicContact CB-CZ2 4.04Å; M204-W206 HydrophobicContact CB-CZ3 3.99Å; M204-W206 HydrophobicContact CE-CH2 4.34Å; M204-W206 HydrophobicContact CE-CZ2 3.61Å; M204-W206 HydrophobicContact CG-CH2 4.47Å; M204-W206 HydrophobicContact SD-CH2 4.09Å; M204-W206 HydrophobicContact SD-CZ2 3.89Å; W206-Y244 WeakPolarHBondContact O-CA 3.07Å; W206-Y245 PolarHBondContact N-O 3.3Å; W206-Y245 PolarHBondContact O-N 3.44Å; W206-L247 HydrophobicContact CH2-CB 3.69Å; W206-L247 HydrophobicContact CZ3-CB 3.69Å; W206-I280 HydrophobicContact CZ3-CG2 4.49Å; W206-A324 HydrophobicContact CH2-CB 3.84Å; W206-A324 HydrophobicContact CZ2-CB 3.94Å; W206-T325 PolarHBondContact NE1-OG1 3.47Å; W206-L328 HydrophobicContact CB-CD2 3.53Å; W206-L328 HydrophobicContact CD2-CD2 3.45Å; W206-L328 VanDerWaalsContact CD2-CD2 3.45Å; W206-L328 HydrophobicContact CE3-CD2 3.83Å; W206-L328 HydrophobicContact CG-CD2 3.29Å |
| 207 | N | 97.6 | Very high | 80.2 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.102 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.3 | 167.5 | -56.6 | 6.9 | 0 | 0 | 0 | 106.8 | L181 S182 R205 T242 Y244 | L181-N207 WeakPolarHBondContact CA-O 3.49Å; S182-N207 PolarHBondContact N-O 3.44Å; S182-N207 PolarHBondContact O-N 3.45Å; R205-N207 WeakPolarHBondContact CD-OD1 3.42Å; R205-N207 PolarHBondContact NE-OD1 3.36Å; N207-T242 HydrophobicContact CB-CG2 4.08Å; N207-Y244 HydrophobicContact CB-CD1 4.45Å; N207-Y244 HydrophobicContact CB-CE1 4.43Å; N207-Y244 WeakPolarHBondContact OD1-CD1 3.36Å |
| 208 | V | 96.6 | Very high | 78.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 108.6 | -178.5 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | V179 G180 L181 R210 T242 E243 Y245 L332 | V179-V208 HydrophobicContact CG1-CG1 3.46Å; V179-V208 VanDerWaalsContact CG1-CG1 3.46Å; G180-V208 CarbonylContact O-C 3.5Å; G180-V208 WeakPolarHBondContact O-CA 3.27Å; L181-V208 HydrophobicContact CD1-CG2 3.63Å; V208-R210 HydrophobicContact CG1-CG 4.47Å; V208-T242 WeakPolarHBondContact O-CA 3.48Å; V208-E243 HydrophobicContact CB-CB 4.33Å; V208-E243 PolarHBondContact N-O 3.08Å; V208-E243 PolarHBondContact O-N 3.48Å; V208-Y245 HydrophobicContact CB-CD2 4.23Å; V208-Y245 HydrophobicContact CB-CE2 4Å; V208-Y245 HydrophobicContact CG2-CD2 3.49Å; V208-Y245 VanDerWaalsContact CG2-CD2 3.49Å; V208-Y245 HydrophobicContact CG2-CE2 3.62Å; V208-L332 HydrophobicContact CG1-CD1 4.31Å; V208-L332 HydrophobicContact CG2-CD1 3.89Å |
| 209 | E | 95.4 | Very high | 76.4 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.3 | -178.9 | -67.4 | 165 | -158.4 | 0 | 0 | 109.1 | V179 G180 T242 | V179-E209 WeakPolarHBondContact CA-O 3.35Å; G180-E209 PolarHBondContact N-O 3.43Å; G180-E209 PolarHBondContact O-N 3.37Å; E209-T242 HydrophobicContact CG-CG2 4.33Å |
| 210 | R | 90.9 | Very high | 73.9 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 22% | 0.219 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 141 | 172.9 | -65.4 | -168.9 | -178.4 | 78.6 | -9.2 | 110.7 | V179 V208 S212 T240 E241 E243 | V179-R210 HydrophobicContact CG1-CG 4.29Å; V179-R210 HydrophobicContact CG2-CG 4.27Å; V208-R210 HydrophobicContact CG1-CG 4.47Å; R210-S212 PolarHBondContact O-N 3.04Å; R210-T240 WeakPolarHBondContact O-CA 3.39Å; R210-E241 PolarHBondContact N-O 3.42Å; R210-E241 PolarHBondContact O-N 3.02Å; R210-E241 VanDerWaalsContact O-N 3.17Å; R210-E243 IonicContact CZ-OE1 3.5Å; R210-E243 IonicContact CZ-OE2 3.06Å; R210-E243 IonicContact NH1-OE1 3.57Å; R210-E243 PolarHBondContact NH1-OE1 3.43Å; R210-E243 IonicContact NH1-OE2 3.53Å; R210-E243 PolarHBondContact NH1-OE2 2.81Å; R210-E243 IonicContact NH2-OE2 3.81Å |
| 211 | P | 82.6 | Confident | 71 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 126.9 | 171.7 | -6.4 | 20.3 | 0 | 0 | 0 | 108.7 | R178 E213 | R178-P211 HydrophobicContact CB-CG 3.87Å; R178-P211 WeakPolarHBondContact O-CD 3.28Å; R178-P211 WeakPolarHBondContact O-CG 3.22Å; P211-E213 PolarHBondContact O-N 3.19Å |
| 212 | S | 70.9 | Confident | 68.5 | Low | 45 Ų | 45 | 81 Ų | 81 | 32% | 0.315 | 45% | 0.446 | S | S | . | . | trans | -66.2 | 130.4 | 172.9 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | R210 S214 A239 | R210-S212 PolarHBondContact O-N 3.04Å; S212-S214 PolarHBondContact O-N 3.36Å; S212-S214 PolarHBondContact OG-OG 3.31Å; S212-A239 WeakPolarHBondContact CB-O 3.43Å; S212-A239 PolarHBondContact N-O 3.35Å | ||
| 213 | E | 57.4 | Low | 65.7 | Low | 177 Ų | 177 | 90.1 Ų | 90.1 | 83% | 0.827 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -72.2 | -14.1 | 177.7 | -64.3 | -179.1 | 161.8 | 0 | 0 | 112.4 | P211 L215 | P211-E213 PolarHBondContact O-N 3.19Å; E213-L215 VanDerWaalsContact C-N 3.25Å; E213-L215 PolarHBondContact O-N 2.63Å |
| 214 | S | 46.7 | Very low | 62.9 | Low | 94 Ų | 94 | 98.6 Ų | 98.6 | 66% | 0.657 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -70.2 | -1 | -169.4 | 61.9 | 0 | 0 | 0 | 0 | 117.1 | S212 | S212-S214 PolarHBondContact O-N 3.36Å; S212-S214 PolarHBondContact OG-OG 3.31Å |
| 215 | L | 44.2 | Very low | 59.8 | Low | 91 Ų | 91 | 101.8 Ų | 101.8 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -114.2 | 4.4 | -176.4 | -98.9 | 141 | 0 | 0 | 0 | 114.5 | E213 | E213-L215 VanDerWaalsContact C-N 3.25Å; E213-L215 PolarHBondContact O-N 2.63Å |
| 216 | Q | 41.7 | Very low | 56.7 | Low | 156 Ų | 156 | 109 Ų | 109 | 73% | 0.729 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -87.5 | -8.4 | -174.2 | -136.2 | 157.6 | 37.1 | 0 | 0 | 114.5 | ||
| 217 | E | 42.7 | Very low | 54.2 | Low | 192 Ų | 192 | 114.7 Ų | 114.7 | 90% | 0.897 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -91 | -10.6 | -179 | -69.7 | -173 | 161.8 | 0 | 0 | 115 | T219 | E217-T219 PolarHBondContact O-N 3.21Š|
| 218 | E | 43.5 | Very low | 51.5 | Low | 162 Ų | 162 | 123.3 Ų | 123.3 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 9 | -174.8 | -66.7 | -161.3 | 165.4 | 0 | 0 | 115.9 | ||
| 219 | T | 40.5 | Very low | 48.9 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 13.1 | 178.1 | -38.2 | 0 | 0 | 0 | 0 | 113.4 | E217 | E217-T219 PolarHBondContact O-N 3.21Š|
| 220 | G | 33.6 | Very low | 46.3 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -112 | 26.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 221 | G | 31.8 | Very low | 43.6 | Very low | 70 Ų | 70 | 144.1 Ų | 144.1 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -134.6 | 100.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | K223 | G221-K223 PolarHBondContact O-N 2.92Š| ||
| 222 | E | 39.9 | Very low | 41.3 | Very low | 198 Ų | 198 | 147 Ų | 147 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -57.7 | 117.7 | 167.7 | -61.3 | 174 | 151.4 | 0 | 0 | 110.5 | ||||
| 223 | K | 36 | Very low | 39.8 | Very low | 207 Ų | 207 | 151.6 Ų | 151.6 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | trans | -143 | 113 | 152.2 | -76.8 | -163.3 | 177 | 175.6 | 0 | 111.1 | G221 | G221-K223 PolarHBondContact O-N 2.92Š| ||
| 224 | E | 36.3 | Very low | 38.8 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | trans | -59.7 | 147.9 | 163.7 | -71.2 | 176.3 | 129.4 | 0 | 0 | 112 | ||||
| 225 | G | 31.7 | Very low | 38.3 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 106.9 | 93 | 141.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 226 | H | 32.6 | Very low | 37.8 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | 131.2 | 137.1 | 131.2 | -79.1 | -47.5 | 0 | 0 | 0 | 116.1 | ||||
| 227 | P | 46.6 | Very low | 37.8 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -92.2 | 122.8 | 178.3 | 35.2 | -25.9 | 0 | 0 | 0 | 110 | ||||
| 228 | E | 39 | Very low | 38 | Very low | 199 Ų | 199 | 152.5 Ų | 152.5 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -135.5 | 130.6 | 162.9 | -122 | -179.4 | -178.2 | 0 | 0 | 110.1 | ||||
| 229 | E | 43.4 | Very low | 38.6 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -72.1 | 168.1 | -172.9 | -68.6 | 173.7 | 142.5 | 0 | 0 | 113 | ||||
| 230 | D | 40.5 | Very low | 39.7 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 69.4 | 76.4 | 165.7 | -81.5 | -6.4 | 0 | 0 | 0 | 118.5 | ||||
| 231 | R | 34.3 | Very low | 42.1 | Very low | 228 Ų | 228 | 146.9 Ų | 146.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -134.6 | 137.6 | 139.1 | -67.2 | -171.9 | -179.9 | -177.6 | 0.4 | 109.6 | V233 | R231-V233 PolarHBondContact O-N 3.44Š| ||
| 232 | P | 33.7 | Very low | 45 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -62.1 | 115.6 | 173.8 | 25.9 | -30.5 | 0 | 0 | 0 | 107.6 | A234 | P232-A234 PolarHBondContact O-N 3.45Š| ||
| 233 | V | 39.3 | Very low | 47.7 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | trans | -68.9 | 79.3 | 169.6 | -178.6 | 0 | 0 | 0 | 0 | 106.6 | R231 G235 | R231-V233 PolarHBondContact O-N 3.44Å; V233-G235 PolarHBondContact O-N 3.19Å | ||
| 234 | A | 37.7 | Very low | 50.5 | Low | 89 Ų | 89 | 132.4 Ų | 132.4 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | -58.5 | 120.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | P232 K236 | P232-A234 PolarHBondContact O-N 3.45Å; A234-K236 PolarHBondContact O-N 3.05Å | ||
| 235 | G | 35.3 | Very low | 53.4 | Low | 62 Ų | 62 | 123.4 Ų | 123.4 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | trans | -48.1 | 127.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V233 E237 | V233-G235 PolarHBondContact O-N 3.19Å; G235-E237 PolarHBondContact O-N 3.01Å | ||
| 236 | K | 34 | Very low | 56.6 | Low | 180 Ų | 180 | 120.7 Ų | 120.7 | 78% | 0.783 | 62% | 0.624 | S | S | * | * | trans | -63.8 | 70.5 | 153.2 | -92.2 | -179 | 169.2 | -177.9 | 0 | 107.3 | A234 R238 | A234-K236 PolarHBondContact O-N 3.05Å; K236-R238 PolarHBondContact O-N 3.07Å | ||
| 237 | E | 42.2 | Very low | 59.7 | Low | 180 Ų | 180 | 111.6 Ų | 111.6 | 84% | 0.841 | 58% | 0.582 | S | S | * | * | trans | -57 | 121.9 | 153.3 | -76.7 | -176.4 | 164.3 | 0 | 0 | 104.6 | G235 A239 | G235-E237 PolarHBondContact O-N 3.01Å; E237-A239 PolarHBondContact O-N 2.91Å | ||
| 238 | R | 45.9 | Very low | 62 | Low | 218 Ų | 218 | 105.9 Ų | 105.9 | 82% | 0.823 | 55% | 0.545 | S | S | * | . | trans | -51.9 | 117.5 | 171.8 | -68.2 | 179.5 | -171.3 | -167.7 | 1.1 | 105.4 | K236 T240 | K236-R238 PolarHBondContact O-N 3.07Å; R238-T240 VanDerWaalsContact C-N 3.32Å; R238-T240 PolarHBondContact O-N 2.99Å | ||
| 239 | A | 55.6 | Low | 64.6 | Low | 60 Ų | 60 | 97.1 Ų | 97.1 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | trans | -58.6 | 103.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | S212 E237 | S212-A239 WeakPolarHBondContact CB-O 3.43Å; S212-A239 PolarHBondContact N-O 3.35Å; E237-A239 PolarHBondContact O-N 2.91Å | ||
| 240 | T | 64 | Low | 67 | Low | 67 Ų | 67 | 90.6 Ų | 90.6 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.7 | 173.7 | 46.4 | 0 | 0 | 0 | 0 | 106.7 | R210 R238 T242 | R210-T240 WeakPolarHBondContact O-CA 3.39Å; R238-T240 VanDerWaalsContact C-N 3.32Å; R238-T240 PolarHBondContact O-N 2.99Å; T240-T242 PolarHBondContact O-N 3.06Å |
| 241 | E | 85.3 | Confident | 69.3 | Low | 132 Ų | 132 | 88 Ų | 88 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.6 | 173.7 | -166.5 | 170.2 | -172.6 | 0 | 0 | 107.7 | R210 | R210-E241 PolarHBondContact N-O 3.42Å; R210-E241 PolarHBondContact O-N 3.02Å; R210-E241 VanDerWaalsContact O-N 3.17Å |
| 242 | T | 92.4 | Very high | 71.7 | Confident | 47 Ų | 47 | 79.6 Ų | 79.6 | 29% | 0.288 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 115.4 | -179.2 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | N207 V208 E209 T240 Y244 | N207-T242 HydrophobicContact CB-CG2 4.08Å; V208-T242 WeakPolarHBondContact O-CA 3.48Å; E209-T242 HydrophobicContact CG-CG2 4.33Å; T240-T242 PolarHBondContact O-N 3.06Å; T242-Y244 HydrophobicContact CG2-CE1 3.96Å; T242-Y244 HydrophobicContact CG2-CE2 4.47Å |
| 243 | E | 94.9 | Very high | 73.9 | Confident | 41 Ų | 41 | 78.2 Ų | 78.2 | 19% | 0.192 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 145.3 | 172 | -69.6 | 171.3 | -159.3 | 0 | 0 | 110.5 | V208 R210 Y245 | V208-E243 HydrophobicContact CB-CB 4.33Å; V208-E243 PolarHBondContact N-O 3.08Å; V208-E243 PolarHBondContact O-N 3.48Å; R210-E243 IonicContact CZ-OE1 3.5Å; R210-E243 IonicContact CZ-OE2 3.06Å; R210-E243 IonicContact NH1-OE1 3.57Å; R210-E243 PolarHBondContact NH1-OE1 3.43Å; R210-E243 IonicContact NH1-OE2 3.53Å; R210-E243 PolarHBondContact NH1-OE2 2.81Å; R210-E243 IonicContact NH2-OE2 3.81Å; E243-Y245 HydrophobicContact CB-CD2 4.36Å; E243-Y245 HydrophobicContact CB-CE2 3.64Å; E243-Y245 VanDerWaalsContact OE2-CE2 3.31Å; E243-Y245 WeakPolarHBondContact OE2-CE2 3.21Å; E243-Y245 PolarHBondContact OE2-OH 3.32Å |
| 244 | Y | 96.1 | Very high | 75.6 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.8 | 179.2 | -57.1 | -79.3 | 0 | 0 | 0 | 110.5 | W206 N207 T242 W283 | W206-Y244 WeakPolarHBondContact O-CA 3.07Å; N207-Y244 HydrophobicContact CB-CD1 4.45Å; N207-Y244 HydrophobicContact CB-CE1 4.43Å; N207-Y244 WeakPolarHBondContact OD1-CD1 3.36Å; T242-Y244 HydrophobicContact CG2-CE1 3.96Å; T242-Y244 HydrophobicContact CG2-CE2 4.47Å; Y244-W283 HydrophobicContact CD2-CE3 4.14Å; Y244-W283 PolarHBondContact O-N 3.4Å |
| 245 | Y | 97.7 | Very high | 76.8 | Confident | 12 Ų | 12 | 80.1 Ų | 80.1 | 5% | 0.047 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.6 | 176.1 | -66 | -99.8 | 0 | 0 | 0 | 109.7 | R205 W206 V208 E243 G281 Q282 I311 L328 L332 | R205-Y245 CarbonylContact C-O 3.55Å; R205-Y245 VanDerWaalsContact CA-O 3.31Å; R205-Y245 WeakPolarHBondContact CA-O 3.29Å; W206-Y245 PolarHBondContact N-O 3.3Å; W206-Y245 PolarHBondContact O-N 3.44Å; V208-Y245 HydrophobicContact CB-CD2 4.23Å; V208-Y245 HydrophobicContact CB-CE2 4Å; V208-Y245 HydrophobicContact CG2-CD2 3.49Å; V208-Y245 VanDerWaalsContact CG2-CD2 3.49Å; V208-Y245 HydrophobicContact CG2-CE2 3.62Å; E243-Y245 HydrophobicContact CB-CD2 4.36Å; E243-Y245 HydrophobicContact CB-CE2 3.64Å; E243-Y245 VanDerWaalsContact OE2-CE2 3.31Å; E243-Y245 WeakPolarHBondContact OE2-CE2 3.21Å; E243-Y245 PolarHBondContact OE2-OH 3.32Å; Y245-G281 CarbonylContact C-O 3.58Å; Y245-G281 WeakPolarHBondContact CA-O 3.48Å; Y245-Q282 HydrophobicContact CD1-CB 3.95Å; Y245-Q282 HydrophobicContact CD1-CG 4.33Å; Y245-Q282 HydrophobicContact CE1-CB 3.7Å; Y245-Q282 HydrophobicContact CE1-CG 3.9Å; Y245-Q282 HydrophobicContact CE2-CG 4.47Å; Y245-I311 HydrophobicContact CD1-CD1 3.72Å; Y245-I311 HydrophobicContact CE1-CD1 3.7Å; Y245-L328 HydrophobicContact CD1-CD1 3.75Å; Y245-L328 HydrophobicContact CE1-CD1 4.32Å; Y245-L328 HydrophobicContact CG-CD1 3.92Å; Y245-L332 HydrophobicContact CE1-CD2 4.12Å; Y245-L332 HydrophobicContact CE2-CD2 4.22Å |
| 246 | F | 97.5 | Very high | 77.9 | Confident | 11 Ų | 11 | 82.7 Ų | 82.7 | 5% | 0.048 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.5 | -178 | -65.7 | -93 | 0 | 0 | 0 | 111.6 | Y186 Y192 K202 M204 R205 I280 G281 W283 Y308 | Y186-F246 HydrophobicContact CE2-CD1 4.45Å; Y186-F246 HydrophobicContact CE2-CE1 4.29Å; Y192-F246 HydrophobicContact CE2-CD2 4.11Å; Y192-F246 HydrophobicContact CE2-CG 4.36Å; K202-F246 HydrophobicContact CB-CD1 4.45Å; K202-F246 HydrophobicContact CD-CD1 3.98Å; K202-F246 HydrophobicContact CD-CE1 3.9Å; K202-F246 HydrophobicContact CG-CD1 4.04Å; K202-F246 HydrophobicContact CG-CE1 4.47Å; M204-F246 VanDerWaalsContact O-CA 3.29Å; M204-F246 WeakPolarHBondContact O-CA 3.35Å; R205-F246 HydrophobicContact CB-CD1 3.85Å; R205-F246 HydrophobicContact CB-CE1 3.64Å; R205-F246 HydrophobicContact CB-CZ 4.36Å; R205-F246 HydrophobicContact CG-CD1 4.09Å; R205-F246 HydrophobicContact CG-CE1 3.56Å; R205-F246 HydrophobicContact CG-CE2 4.44Å; R205-F246 HydrophobicContact CG-CZ 3.77Å; F246-I280 WeakPolarHBondContact O-CA 3.29Å; F246-G281 PolarHBondContact N-O 2.63Å; F246-G281 PolarHBondContact O-N 2.84Å; F246-W283 HydrophobicContact CD2-CB 3.8Å; F246-W283 HydrophobicContact CD2-CG 4.5Å; F246-W283 HydrophobicContact CE2-CB 3.51Å; F246-W283 AromaticContact CE2-CD1 3.87Å; F246-W283 AromaticContact CE2-CG 3.87Å; F246-W283 HydrophobicContact CE2-CG 3.87Å; F246-Y308 HydrophobicContact CB-CE2 4.28Å; F246-Y308 PolarHBondContact O-OH 2.98Å |
| 247 | L | 97.7 | Very high | 78.9 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.7 | 161.5 | 175.7 | 69.2 | 0 | 0 | 0 | 106.4 | R203 M204 W206 W278 S279 I280 L314 P319 A324 | R203-L247 HydrophobicContact CB-CD2 4.08Å; R203-L247 HydrophobicContact CB-CG 4.24Å; R203-L247 HydrophobicContact CG-CD2 4.12Å; R203-L247 PolarHBondContact N-O 3.24Å; M204-L247 HydrophobicContact CB-CB 3.9Å; M204-L247 HydrophobicContact CB-CD2 4.42Å; M204-L247 HydrophobicContact CG-CB 4.43Å; M204-L247 HydrophobicContact CG-CD2 4.04Å; M204-L247 PolarHBondContact N-O 3.11Å; M204-L247 PolarHBondContact O-N 3.03Å; M204-L247 HydrophobicContact SD-CD2 4.07Å; W206-L247 HydrophobicContact CH2-CB 3.69Å; W206-L247 HydrophobicContact CZ3-CB 3.69Å; L247-W278 HydrophobicContact CD1-CE3 4.07Å; L247-W278 HydrophobicContact CD2-CE3 4.26Å; L247-W278 HydrophobicContact CD2-CZ3 4.3Å; L247-W278 HydrophobicContact CG-CE3 3.96Å; L247-W278 HydrophobicContact CG-CZ3 4.23Å; L247-S279 WeakPolarHBondContact CA-O 3.47Å; L247-I280 HydrophobicContact CD1-CG1 4.12Å; L247-L314 HydrophobicContact CD1-CD1 3.7Å; L247-P319 HydrophobicContact CD1-CG 3.87Å; L247-P319 HydrophobicContact CD2-CG 3.77Å; L247-P319 HydrophobicContact CG-CG 4.49Å; L247-A324 HydrophobicContact CD2-CB 4.06Å |
| 248 | C | 96.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.5 | 177.4 | -69.3 | 0 | 0 | 0 | 0 | 110.4 | L200 Y201 W278 S279 Y308 | L200-C248 HydrophobicContact CD2-CB 4.06Å; Y201-C248 CarbonylContact O-C 3.58Å; Y201-C248 WeakPolarHBondContact O-CA 3.4Å; C248-W278 WeakPolarHBondContact O-CA 3.49Å; C248-S279 PolarHBondContact N-O 2.94Å; C248-S279 PolarHBondContact O-N 3.12Å; C248-Y308 HydrophobicContact CB-CE2 4.21Å |
| 249 | Y | 93.6 | Very high | 79.6 | Confident | 15 Ų | 15 | 73.1 Ų | 73.1 | 6% | 0.059 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 149.1 | 158.6 | 90.6 | -80.4 | 0 | 0 | 0 | 110.4 | L189 Y201 E251 K276 M277 W278 | L189-Y249 HydrophobicContact CB-CE1 4.06Å; L189-Y249 HydrophobicContact CD1-CD1 4.03Å; L189-Y249 HydrophobicContact CD1-CE1 3.22Å; L189-Y249 HydrophobicContact CD2-CD1 3.56Å; L189-Y249 HydrophobicContact CD2-CE1 3.49Å; L189-Y249 VanDerWaalsContact CD2-CE1 3.49Å; L189-Y249 HydrophobicContact CG-CD1 4.3Å; L189-Y249 HydrophobicContact CG-CE1 3.72Å; Y201-Y249 HydrophobicContact CD2-CD1 4.3Å; Y201-Y249 AromaticContact CD2-CE1 3.59Å; Y201-Y249 HydrophobicContact CD2-CE1 3.59Å; Y201-Y249 HydrophobicContact CD2-CE2 4.22Å; Y201-Y249 AromaticContact CD2-CZ 3.53Å; Y201-Y249 HydrophobicContact CG-CD1 4.38Å; Y201-Y249 AromaticContact CG-CE1 3.64Å; Y201-Y249 HydrophobicContact CG-CE1 3.64Å; Y201-Y249 PolarHBondContact N-O 2.88Å; Y201-Y249 PolarHBondContact O-N 3.4Å; Y249-E251 HydrophobicContact CD2-CG 4.34Å; Y249-E251 HydrophobicContact CE2-CG 3.67Å; Y249-E251 PolarHBondContact OH-OE1 2.9Å; Y249-K276 HydrophobicContact CD2-CB 3.93Å; Y249-K276 HydrophobicContact CD2-CD 3.94Å; Y249-K276 HydrophobicContact CD2-CG 3.78Å; Y249-K276 HydrophobicContact CE2-CD 3.9Å; Y249-K276 HydrophobicContact CE2-CG 3.9Å; Y249-M277 CarbonylContact C-O 3.58Å; Y249-M277 WeakPolarHBondContact CA-O 3.35Å; Y249-W278 HydrophobicContact CD1-CH2 4.16Å; Y249-W278 HydrophobicContact CD1-CZ3 4.45Å; Y249-W278 HydrophobicContact CG-CH2 4.33Å; Y249-W278 HydrophobicContact CG-CZ2 4.33Å |
| 250 | E | 93.3 | Very high | 78.9 | Confident | 50 Ų | 50 | 73.7 Ų | 73.7 | 23% | 0.234 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.4 | 170.1 | 56.3 | -172.4 | 176.3 | 0 | 0 | 109.4 | L200 V252 K276 M277 R310 | L200-E250 HydrophobicContact CD2-CB 3.86Å; E250-V252 HydrophobicContact CG-CG2 3.77Å; E250-K276 CarbonylContact O-C 3.49Å; E250-K276 WeakPolarHBondContact O-CA 3.45Å; E250-M277 HydrophobicContact CG-CB 3.85Å; E250-M277 PolarHBondContact N-O 3Å; E250-M277 PolarHBondContact O-N 3.4Å; E250-R310 IonicContact OE1-NH1 3.32Å; E250-R310 PolarHBondContact OE1-NH1 3.45Å; E250-R310 VanDerWaalsContact OE1-NH1 3.09Å |
| 251 | E | 89.1 | Confident | 78.2 | Confident | 105 Ų | 105 | 79 Ų | 79 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 109.5 | 174 | -79.9 | -174.8 | -174.4 | 0 | 0 | 108.8 | Y249 V274 | Y249-E251 HydrophobicContact CD2-CG 4.34Å; Y249-E251 HydrophobicContact CE2-CG 3.67Å; Y249-E251 PolarHBondContact OH-OE1 2.9Å; E251-V274 HydrophobicContact CB-CG1 3.55Å; E251-V274 HydrophobicContact CG-CG1 4.07Å |
| 252 | V | 83.9 | Confident | 76.2 | Confident | 51 Ų | 51 | 76 Ų | 76 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.1 | -176.8 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | E250 E254 V274 V275 M277 | E250-V252 HydrophobicContact CG-CG2 3.77Å; V252-E254 PolarHBondContact O-N 2.77Å; V252-V274 CarbonylContact O-C 3.4Å; V252-V274 WeakPolarHBondContact O-CA 3.48Å; V252-V275 PolarHBondContact N-O 3.34Å; V252-V275 PolarHBondContact O-N 3.19Å; V252-M277 HydrophobicContact CB-CG 4.14Å; V252-M277 HydrophobicContact CG2-CB 3.96Å; V252-M277 HydrophobicContact CG2-CG 3.64Å |
| 253 | P | 80.9 | Confident | 74.1 | Confident | 99 Ų | 99 | 83.9 Ų | 83.9 | 64% | 0.643 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 131.5 | 172.5 | -20.8 | 31.7 | 0 | 0 | 0 | 110.6 | E255 | P253-E255 PolarHBondContact O-N 2.91Å |
| 254 | E | 73.8 | Confident | 71.5 | Confident | 95 Ų | 95 | 85.2 Ų | 85.2 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 123 | 170.3 | -164 | 170.5 | 178.7 | 0 | 0 | 108.1 | V252 N273 V275 | V252-E254 PolarHBondContact O-N 2.77Å; E254-N273 WeakPolarHBondContact CA-O 3.36Å; E254-N273 HydrophobicContact CB-CB 4.26Å; E254-N273 WeakPolarHBondContact CB-O 3.32Å; E254-N273 PolarHBondContact N-O 3Å; E254-N273 WeakPolarHBondContact OE2-CB 3.44Å; E254-N273 VanDerWaalsContact OE2-CG 3.22Å; E254-N273 PolarHBondContact OE2-ND2 2.97Å; E254-V275 HydrophobicContact CB-CG2 3.95Å; E254-V275 HydrophobicContact CG-CG2 3.96Å |
| 255 | E | 63.2 | Low | 69.1 | Low | 174 Ų | 174 | 91.9 Ų | 91.9 | 81% | 0.813 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 129.7 | 174.4 | -65.3 | -138.5 | 152.2 | 0 | 0 | 108.9 | P253 A257 | P253-E255 PolarHBondContact O-N 2.91Å; E255-A257 PolarHBondContact O-N 3.09Å |
| 256 | P | 58.3 | Low | 66.4 | Low | 115 Ų | 115 | 94.2 Ų | 94.2 | 75% | 0.747 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 126.9 | 178.3 | 24.7 | -31.5 | 0 | 0 | 0 | 108.4 | E258 | P256-E258 PolarHBondContact O-N 2.72Š|
| 257 | A | 54.7 | Low | 63.8 | Low | 101 Ų | 101 | 103.5 Ų | 103.5 | 84% | 0.835 | 62% | 0.618 | S | S | * | * | trans | -51.4 | 114.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | E255 G259 | E255-A257 PolarHBondContact O-N 3.09Å; A257-G259 PolarHBondContact O-N 2.91Å | ||
| 258 | E | 56.1 | Low | 61.1 | Low | 199 Ų | 199 | 109.2 Ų | 109.2 | 93% | 0.93 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -59.8 | 124.6 | 175 | -75.4 | -173.1 | 150.8 | 0 | 0 | 109.4 | P256 | P256-E258 PolarHBondContact O-N 2.72Š|
| 259 | G | 47.8 | Very low | 58.5 | Low | 78 Ų | 78 | 115.7 Ų | 115.7 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | 98.8 | 84.7 | 157 | 0 | 0 | 0 | 0 | 0 | 116.1 | A257 | A257-G259 PolarHBondContact O-N 2.91Š| ||
| 260 | G | 39.6 | Very low | 56.2 | Low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | -145.2 | 83.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G262 | G260-G262 PolarHBondContact O-N 3.43Š| ||
| 261 | D | 50.2 | Low | 54.1 | Low | 179 Ų | 179 | 124.2 Ų | 124.2 | 96% | 0.957 | 75% | 0.751 | S | S | * | * | trans | -52.7 | 111.1 | 174.5 | -63.8 | -26.6 | 0 | 0 | 0 | 109.7 | ||||
| 262 | G | 43.1 | Very low | 52.5 | Low | 67 Ų | 67 | 121.3 Ų | 121.3 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -163 | 85.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G260 G264 | G260-G262 PolarHBondContact O-N 3.43Å; G262-G264 PolarHBondContact O-N 2.89Å; G262-G264 VanDerWaalsContact O-N 3.16Å | ||
| 263 | E | 48.9 | Very low | 51.9 | Low | 213 Ų | 213 | 124.2 Ų | 124.2 | 100% | 0.995 | 76% | 0.764 | S | S | * | * | trans | -44.7 | 117.5 | 167.9 | -77.3 | 177.7 | 127.8 | 0 | 0 | 111.3 | ||||
| 264 | G | 40.2 | Very low | 51.8 | Low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -171.2 | 91.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G262 G266 | G262-G264 PolarHBondContact O-N 2.89Å; G262-G264 VanDerWaalsContact O-N 3.16Å; G264-G266 PolarHBondContact O-N 3.41Å | ||
| 265 | K | 45.6 | Very low | 52.3 | Low | 223 Ų | 223 | 120.5 Ų | 120.5 | 97% | 0.97 | 75% | 0.745 | S | S | * | * | trans | -36.2 | 125.7 | 167.9 | -81 | 169.8 | 166.7 | 174.5 | 0 | 113.3 | ||||
| 266 | G | 39.9 | Very low | 53.6 | Low | 62 Ų | 62 | 116.9 Ų | 116.9 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | trans | 171.7 | 94.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | G264 T268 | G264-G266 PolarHBondContact O-N 3.41Å; G266-T268 PolarHBondContact O-N 2.86Å | ||
| 267 | E | 43.7 | Very low | 55.3 | Low | 205 Ų | 205 | 114.2 Ų | 114.2 | 96% | 0.958 | 71% | 0.705 | S | S | * | * | trans | -70.3 | 74.1 | 172 | -164.1 | 173.1 | -160.8 | 0 | 0 | 108.8 | ||||
| 268 | T | 41 | Very low | 57.3 | Low | 121 Ų | 121 | 109.9 Ų | 109.9 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | trans | -101.8 | 114.5 | 160.4 | 41.1 | 0 | 0 | 0 | 0 | 106 | G266 A270 | G266-T268 PolarHBondContact O-N 2.86Å; T268-A270 VanDerWaalsContact C-N 3.27Å; T268-A270 PolarHBondContact O-N 3.5Å | ||
| 269 | V | 41.8 | Very low | 59.3 | Low | 135 Ų | 135 | 100.5 Ų | 100.5 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | trans | -52.6 | 97.8 | 167.5 | 178.1 | 0 | 0 | 0 | 0 | 106.6 | I271 | V269-I271 VanDerWaalsContact C-N 3.32Å; V269-I271 PolarHBondContact O-N 3.21Å | ||
| 270 | A | 45.2 | Very low | 61.7 | Low | 87 Ų | 87 | 96.8 Ų | 96.8 | 72% | 0.719 | 59% | 0.585 | S | S | * | * | trans | -62.6 | 104.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 104.5 | T268 G272 | T268-A270 VanDerWaalsContact C-N 3.27Å; T268-A270 PolarHBondContact O-N 3.5Å; A270-G272 PolarHBondContact O-N 2.93Å | ||
| 271 | I | 48.4 | Very low | 64.4 | Low | 157 Ų | 157 | 93.4 Ų | 93.4 | 81% | 0.805 | 55% | 0.55 | S | S | * | . | trans | -57.6 | 99.2 | 161.9 | -61.3 | 172.3 | 0 | 0 | 0 | 103.1 | V269 N273 | V269-I271 VanDerWaalsContact C-N 3.32Å; V269-I271 PolarHBondContact O-N 3.21Å; I271-N273 PolarHBondContact O-N 3.44Å; I271-N273 VanDerWaalsContact O-N 3.14Å | ||
| 272 | G | 56.3 | Low | 66.6 | Low | 45 Ų | 45 | 87.1 Ų | 87.1 | 46% | 0.464 | 52% | 0.515 | S | S | . | . | trans | -50.8 | 124.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 107 | A270 V274 | A270-G272 PolarHBondContact O-N 2.93Å; G272-V274 WeakPolarHBondContact O-CG2 3.3Å; G272-V274 PolarHBondContact O-N 3.07Å | ||
| 273 | N | 71.6 | Confident | 69 | Low | 112 Ų | 112 | 86.6 Ų | 86.6 | 60% | 0.599 | 49% | 0.492 | S | S | * | . | trans | -61 | 138.9 | -178.9 | -165.9 | 30.3 | 0 | 0 | 0 | 107.3 | E254 I271 | E254-N273 WeakPolarHBondContact CA-O 3.36Å; E254-N273 HydrophobicContact CB-CB 4.26Å; E254-N273 WeakPolarHBondContact CB-O 3.32Å; E254-N273 PolarHBondContact N-O 3Å; E254-N273 WeakPolarHBondContact OE2-CB 3.44Å; E254-N273 VanDerWaalsContact OE2-CG 3.22Å; E254-N273 PolarHBondContact OE2-ND2 2.97Å; I271-N273 PolarHBondContact O-N 3.44Å; I271-N273 VanDerWaalsContact O-N 3.14Å | ||
| 274 | V | 78.4 | Confident | 71.1 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 44% | 0.442 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.8 | -173 | -178 | 0 | 0 | 0 | 0 | 107.4 | E251 V252 G272 | E251-V274 HydrophobicContact CB-CG1 3.55Å; E251-V274 HydrophobicContact CG-CG1 4.07Å; V252-V274 CarbonylContact O-C 3.4Å; V252-V274 WeakPolarHBondContact O-CA 3.48Å; G272-V274 WeakPolarHBondContact O-CG2 3.3Å; G272-V274 PolarHBondContact O-N 3.07Å |
| 275 | V | 84.4 | Confident | 73.4 | Confident | 43 Ų | 43 | 78 Ų | 78 | 26% | 0.261 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.6 | -179.7 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | V252 E254 M277 A316 | V252-V275 PolarHBondContact N-O 3.34Å; V252-V275 PolarHBondContact O-N 3.19Å; E254-V275 HydrophobicContact CB-CG2 3.95Å; E254-V275 HydrophobicContact CG-CG2 3.96Å; V275-M277 HydrophobicContact CG1-SD 4.11Å; V275-A316 HydrophobicContact CG1-CB 3.85Å |
| 276 | K | 90.3 | Very high | 75.4 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.7 | 170.8 | -65.2 | -175.3 | 180 | -178.6 | 0 | 108.4 | Y249 E250 A316 | Y249-K276 HydrophobicContact CD2-CB 3.93Å; Y249-K276 HydrophobicContact CD2-CD 3.94Å; Y249-K276 HydrophobicContact CD2-CG 3.78Å; Y249-K276 HydrophobicContact CE2-CD 3.9Å; Y249-K276 HydrophobicContact CE2-CG 3.9Å; E250-K276 CarbonylContact O-C 3.49Å; E250-K276 WeakPolarHBondContact O-CA 3.45Å; K276-A316 WeakPolarHBondContact O-CA 3.43Å |
| 277 | M | 94.1 | Very high | 77.6 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 30% | 0.296 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.1 | 176.2 | -68.6 | -61.6 | -66.5 | 0 | 0 | 109.7 | Y249 E250 V252 V275 | Y249-M277 CarbonylContact C-O 3.58Å; Y249-M277 WeakPolarHBondContact CA-O 3.35Å; E250-M277 HydrophobicContact CG-CB 3.85Å; E250-M277 PolarHBondContact N-O 3Å; E250-M277 PolarHBondContact O-N 3.4Å; V252-M277 HydrophobicContact CB-CG 4.14Å; V252-M277 HydrophobicContact CG2-CB 3.96Å; V252-M277 HydrophobicContact CG2-CG 3.64Å; V275-M277 HydrophobicContact CG1-SD 4.11Å |
| 278 | W | 96.9 | Very high | 79.5 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 4% | 0.038 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 137.3 | -179.8 | -66.2 | 90.9 | 0 | 0 | 0 | 110.9 | L189 R203 L247 C248 Y249 L314 G315 A316 E317 E318 | L189-W278 HydrophobicContact CD2-CH2 4.23Å; R203-W278 HydrophobicContact CB-CH2 4.1Å; R203-W278 HydrophobicContact CB-CZ3 3.54Å; R203-W278 HydrophobicContact CG-CH2 3.93Å; R203-W278 HydrophobicContact CG-CZ3 3.72Å; L247-W278 HydrophobicContact CD1-CE3 4.07Å; L247-W278 HydrophobicContact CD2-CE3 4.26Å; L247-W278 HydrophobicContact CD2-CZ3 4.3Å; L247-W278 HydrophobicContact CG-CE3 3.96Å; L247-W278 HydrophobicContact CG-CZ3 4.23Å; C248-W278 WeakPolarHBondContact O-CA 3.49Å; Y249-W278 HydrophobicContact CD1-CH2 4.16Å; Y249-W278 HydrophobicContact CD1-CZ3 4.45Å; Y249-W278 HydrophobicContact CG-CH2 4.33Å; Y249-W278 HydrophobicContact CG-CZ2 4.33Å; W278-L314 HydrophobicContact CB-CB 4.1Å; W278-L314 PolarHBondContact O-N 3.49Å; W278-G315 PolarHBondContact N-O 2.99Å; W278-A316 PolarHBondContact NE1-O 2.89Å; W278-E317 VanDerWaalsContact CD1-C 3.42Å; W278-E317 VanDerWaalsContact CD1-O 3.25Å; W278-E318 HydrophobicContact CD2-CB 4.34Å; W278-E318 HydrophobicContact CD2-CG 4.35Å; W278-E318 HydrophobicContact CE3-CG 4.45Å; W278-E318 HydrophobicContact CH2-CB 4.17Å; W278-E318 HydrophobicContact CH2-CG 3.62Å; W278-E318 HydrophobicContact CZ2-CB 3.49Å; W278-E318 VanDerWaalsContact CZ2-CB 3.49Å; W278-E318 HydrophobicContact CZ2-CG 3.5Å; W278-E318 VanDerWaalsContact CZ2-CG 3.5Å; W278-E318 HydrophobicContact CZ3-CG 4.12Å |
| 279 | S | 97.3 | Very high | 81.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 157.8 | 175.9 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | L247 C248 Y308 L312 | L247-S279 WeakPolarHBondContact CA-O 3.47Å; C248-S279 PolarHBondContact N-O 2.94Å; C248-S279 PolarHBondContact O-N 3.12Å; S279-Y308 PolarHBondContact O-OH 2.66Å; S279-Y308 PolarHBondContact OG-OH 2.68Å; S279-L312 CarbonylContact C-O 3.58Å; S279-L312 WeakPolarHBondContact CA-O 3.47Å; S279-L312 WeakPolarHBondContact CB-O 3.39Å |
| 280 | I | 98.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137 | 169.8 | -55.3 | -179.2 | 0 | 0 | 0 | 107.5 | W206 F246 L247 Y308 I311 L312 L314 A324 C327 L328 | W206-I280 HydrophobicContact CZ3-CG2 4.49Å; F246-I280 WeakPolarHBondContact O-CA 3.29Å; L247-I280 HydrophobicContact CD1-CG1 4.12Å; I280-Y308 WeakPolarHBondContact CA-OH 3.48Å; I280-I311 HydrophobicContact CB-CG1 4.33Å; I280-I311 HydrophobicContact CG2-CD1 4.01Å; I280-I311 HydrophobicContact CG2-CG1 4.11Å; I280-I311 VanDerWaalsContact O-CG1 3.31Å; I280-I311 WeakPolarHBondContact O-CG1 3.48Å; I280-I311 PolarHBondContact O-N 3.36Å; I280-L312 HydrophobicContact CB-CB 4.31Å; I280-L312 HydrophobicContact CD1-CD2 4.26Å; I280-L312 PolarHBondContact N-O 3.28Å; I280-L312 PolarHBondContact O-N 2.94Å; I280-L312 VanDerWaalsContact O-N 3.11Å; I280-L314 HydrophobicContact CD1-CD1 4.2Å; I280-L314 HydrophobicContact CG1-CD1 3.98Å; I280-A324 WeakPolarHBondContact CD1-O 3.19Å; I280-C327 HydrophobicContact CD1-CB 4.04Å; I280-L328 HydrophobicContact CD1-CB 4.18Å; I280-L328 HydrophobicContact CG2-CD1 3.97Å |
| 281 | G | 96.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y245 F246 Y308 H309 | Y245-G281 CarbonylContact C-O 3.58Å; Y245-G281 WeakPolarHBondContact CA-O 3.48Å; F246-G281 PolarHBondContact N-O 2.63Å; F246-G281 PolarHBondContact O-N 2.84Å; G281-Y308 VanDerWaalsContact CA-CE2 3.43Å; G281-Y308 VanDerWaalsContact CA-CZ 3.49Å; G281-Y308 PolarHBondContact N-OH 2.64Å; G281-H309 CarbonylContact C-O 3.47Å; G281-H309 WeakPolarHBondContact CA-O 3.44Å |
| 282 | Q | 96.4 | Very high | 86.1 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 22% | 0.22 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 139.3 | 174.6 | -170.5 | -179.1 | 11.8 | 0 | 0 | 109.4 | Y245 V284 H309 | Y245-Q282 HydrophobicContact CD1-CB 3.95Å; Y245-Q282 HydrophobicContact CD1-CG 4.33Å; Y245-Q282 HydrophobicContact CE1-CB 3.7Å; Y245-Q282 HydrophobicContact CE1-CG 3.9Å; Y245-Q282 HydrophobicContact CE2-CG 4.47Å; Q282-V284 HydrophobicContact CB-CG2 4.47Å; Q282-V284 HydrophobicContact CG-CG2 4.2Å; Q282-H309 HydrophobicContact CB-CB 4.37Å; Q282-H309 PolarHBondContact N-O 3.01Å; Q282-H309 PolarHBondContact O-N 3.26Å |
| 283 | W | 94.8 | Very high | 87 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.6 | 168.2 | -179.1 | 101.6 | 0 | 0 | 0 | 108.8 | Y192 Y244 F246 Q285 A306 | Y192-W283 AromaticContact CZ-CD1 3.71Å; Y192-W283 WeakPolarHBondContact OH-CA 3.39Å; Y244-W283 HydrophobicContact CD2-CE3 4.14Å; Y244-W283 PolarHBondContact O-N 3.4Å; F246-W283 HydrophobicContact CD2-CB 3.8Å; F246-W283 HydrophobicContact CD2-CG 4.5Å; F246-W283 HydrophobicContact CE2-CB 3.51Å; F246-W283 AromaticContact CE2-CD1 3.87Å; F246-W283 AromaticContact CE2-CG 3.87Å; F246-W283 HydrophobicContact CE2-CG 3.87Å; W283-Q285 HydrophobicContact CH2-CB 3.58Å; W283-Q285 HydrophobicContact CH2-CG 3.88Å; W283-Q285 HydrophobicContact CZ3-CB 3.58Å; W283-Q285 HydrophobicContact CZ3-CG 4.36Å; W283-A306 HydrophobicContact CD2-CB 3.65Å; W283-A306 HydrophobicContact CE3-CB 4.45Å; W283-A306 HydrophobicContact CG-CB 3.86Å; W283-A306 HydrophobicContact CH2-CB 4.39Å; W283-A306 HydrophobicContact CZ2-CB 3.58Å |
| 284 | V | 91.7 | Very high | 87.6 | Confident | 65 Ų | 65 | 63.2 Ų | 63.2 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 109.3 | -177.5 | -178.4 | 0 | 0 | 0 | 0 | 108 | Q282 T286 A306 G307 H309 | Q282-V284 HydrophobicContact CB-CG2 4.47Å; Q282-V284 HydrophobicContact CG-CG2 4.2Å; V284-T286 PolarHBondContact O-N 3.06Å; V284-A306 CarbonylContact O-C 3.47Å; V284-A306 WeakPolarHBondContact O-CA 3.49Å; V284-A306 WeakPolarHBondContact O-CB 3.19Å; V284-G307 PolarHBondContact N-O 3.39Å; V284-G307 PolarHBondContact O-N 3.17Å; V284-H309 HydrophobicContact CG2-CB 4.05Å |
| 285 | Q | 88.7 | Confident | 87.8 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 131 | 179.9 | -172.5 | 168.7 | -19.9 | 0 | 0 | 111.1 | W283 P288 P290 | W283-Q285 HydrophobicContact CH2-CB 3.58Å; W283-Q285 HydrophobicContact CH2-CG 3.88Å; W283-Q285 HydrophobicContact CZ3-CB 3.58Å; W283-Q285 HydrophobicContact CZ3-CG 4.36Å; Q285-P288 PolarHBondContact NE2-O 2.94Å; Q285-P290 HydrophobicContact CB-CB 4.49Å; Q285-P290 HydrophobicContact CB-CG 4.48Å |
| 286 | T | 87.8 | Confident | 87.9 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -40.2 | 173 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | V284 Q305 A306 | V284-T286 PolarHBondContact O-N 3.06Å; T286-Q305 PolarHBondContact N-O 2.97Å; T286-Q305 WeakPolarHBondContact OG1-CB 3.21Å; T286-Q305 PolarHBondContact OG1-O 3.31Å; T286-A306 PolarHBondContact OG1-N 3.39Å |
| 287 | Q | 85.1 | Confident | 87.6 | Confident | 100 Ų | 100 | 69 Ų | 69 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.9 | 175.9 | -62.4 | -172 | -10.6 | 0 | 0 | 111 | P304 Q305 | Q287-P304 CarbonylContact O-C 3.51Å; Q287-P304 VanDerWaalsContact O-CA 3.3Å; Q287-P304 WeakPolarHBondContact O-CA 3.34Å; Q287-Q305 HydrophobicContact CB-CB 4.02Å; Q287-Q305 HydrophobicContact CB-CG 4.26Å; Q287-Q305 PolarHBondContact N-O 3.17Å; Q287-Q305 PolarHBondContact O-N 3.43Å |
| 288 | P | 84.4 | Confident | 87.1 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.032 | 35% | 0.35 | C | S | . | . | S | Bend | cis | -63.7 | 159.3 | -5.2 | 28.6 | -34.3 | 0 | 0 | 0 | 111.8 | Q285 P290 E297 W298 | Q285-P288 PolarHBondContact NE2-O 2.94Å; P288-P290 WeakPolarHBondContact O-CD 3.4Å; P288-E297 HydrophobicContact CB-CB 3.67Å; P288-W298 HydrophobicContact CB-CD2 4.42Å; P288-W298 HydrophobicContact CB-CG 4.47Å; P288-W298 HydrophobicContact CG-CD2 3.31Å; P288-W298 VanDerWaalsContact CG-CE2 3.41Å; P288-W298 HydrophobicContact CG-CE3 3.57Å; P288-W298 HydrophobicContact CG-CG 3.76Å; P288-W298 HydrophobicContact CG-CH2 4.07Å; P288-W298 HydrophobicContact CG-CZ2 3.83Å; P288-W298 HydrophobicContact CG-CZ3 3.94Å |
| 289 | E | 81.9 | Confident | 86.6 | Confident | 114 Ų | 114 | 76.7 Ų | 76.7 | 53% | 0.533 | 38% | 0.38 | S | S | . | . | trans | -64.5 | 119.4 | -172.8 | -81.3 | -176.8 | -168.2 | 0 | 0 | 110.2 | I291 K292 E297 | E289-I291 PolarHBondContact O-N 3.42Å; E289-I291 VanDerWaalsContact O-N 3.15Å; E289-K292 HydrophobicContact CB-CB 3.92Å; E289-K292 PolarHBondContact O-N 3.41Å; E289-E297 PolarHBondContact N-OE2 3.17Å | ||
| 290 | P | 77.6 | Confident | 86 | Confident | 83 Ų | 83 | 83.3 Ų | 83.3 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.1 | -169.5 | 24.4 | -33.1 | 0 | 0 | 0 | 113.6 | Q285 P288 | Q285-P290 HydrophobicContact CB-CB 4.49Å; Q285-P290 HydrophobicContact CB-CG 4.48Å; P288-P290 WeakPolarHBondContact O-CD 3.4Å |
| 291 | I | 79.6 | Confident | 85.3 | Confident | 166 Ų | 166 | 85 Ų | 85 | 85% | 0.851 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -24.3 | 179.5 | -56.5 | 174.2 | 0 | 0 | 0 | 110.9 | E289 D293 | E289-I291 PolarHBondContact O-N 3.42Å; E289-I291 VanDerWaalsContact O-N 3.15Å; I291-D293 PolarHBondContact O-N 2.93Å |
| 292 | K | 76.8 | Confident | 84.4 | Confident | 93 Ų | 93 | 96.6 Ų | 96.6 | 40% | 0.404 | 47% | 0.47 | S | S | . | . | trans | -91.2 | 107.2 | -175.5 | -165.4 | 179 | 170.2 | -163.5 | 0 | 108.4 | E289 D294 E297 | E289-K292 HydrophobicContact CB-CB 3.92Å; E289-K292 PolarHBondContact O-N 3.41Å; K292-D294 HydrophobicContact CD-CB 4.46Å; K292-D294 HydrophobicContact CG-CB 4.15Å; K292-D294 IonicContact NZ-OD2 3.81Å; K292-D294 PolarHBondContact O-N 2.87Å; K292-E297 WeakPolarHBondContact CD-OE1 3.48Å; K292-E297 WeakPolarHBondContact CE-OE1 3.26Å; K292-E297 IonicContact NZ-OE1 3.97Å; K292-E297 PolarHBondContact NZ-OE1 3.24Å | ||
| 293 | D | 74.5 | Confident | 83.7 | Confident | 165 Ų | 165 | 96.4 Ų | 96.4 | 88% | 0.882 | 47% | 0.472 | S | S | * | . | trans | -77.1 | 64.1 | 176.7 | -167 | 19.9 | 0 | 0 | 0 | 110.7 | I291 | I291-D293 PolarHBondContact O-N 2.93Š| ||
| 294 | D | 83.3 | Confident | 83.2 | Confident | 47 Ų | 47 | 96.4 Ų | 96.4 | 25% | 0.251 | 48% | 0.479 | S | S | . | . | trans | -113.2 | 101.1 | 177.3 | -171.5 | -9.3 | 0 | 0 | 0 | 110.2 | K292 Y296 E297 | K292-D294 HydrophobicContact CD-CB 4.46Å; K292-D294 HydrophobicContact CG-CB 4.15Å; K292-D294 IonicContact NZ-OD2 3.81Å; K292-D294 PolarHBondContact O-N 2.87Å; D294-Y296 PolarHBondContact O-N 3.49Å; D294-Y296 VanDerWaalsContact O-N 3.14Å; D294-Y296 WeakPolarHBondContact OD1-CB 3.34Å; D294-Y296 WeakPolarHBondContact OD1-CD2 3.43Å; D294-Y296 PolarHBondContact OD1-N 2.88Å; D294-E297 HydrophobicContact CB-CG 4.09Å; D294-E297 PolarHBondContact O-N 3.27Å | ||
| 295 | I | 84 | Confident | 83 | Confident | 115 Ų | 115 | 97.2 Ų | 97.2 | 59% | 0.59 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58 | -27 | 178.7 | -165.4 | 167 | 0 | 0 | 0 | 112.7 | E297 W298 V299 | I295-E297 VanDerWaalsContact C-N 3.34Å; I295-W298 PolarHBondContact O-N 3.32Å; I295-V299 HydrophobicContact CG1-CG2 4.22Å; I295-V299 VanDerWaalsContact O-CG2 3.3Å; I295-V299 WeakPolarHBondContact O-CG2 3.38Å; I295-V299 PolarHBondContact O-N 2.75Å |
| 296 | Y | 85.8 | Confident | 83.1 | Confident | 167 Ų | 167 | 95.9 Ų | 95.9 | 66% | 0.655 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.9 | -33.8 | 178.6 | -65.4 | -73.1 | 0 | 0 | 0 | 111.7 | D294 W298 V299 L300 | D294-Y296 PolarHBondContact O-N 3.49Å; D294-Y296 VanDerWaalsContact O-N 3.14Å; D294-Y296 WeakPolarHBondContact OD1-CB 3.34Å; D294-Y296 WeakPolarHBondContact OD1-CD2 3.43Å; D294-Y296 PolarHBondContact OD1-N 2.88Å; Y296-W298 VanDerWaalsContact C-N 3.31Å; Y296-W298 PolarHBondContact O-N 3.09Å; Y296-V299 PolarHBondContact O-N 2.68Å; Y296-L300 VanDerWaalsContact O-CB 3.23Å; Y296-L300 WeakPolarHBondContact O-CB 3.33Å; Y296-L300 WeakPolarHBondContact O-CG 3.35Å; Y296-L300 PolarHBondContact O-N 2.85Å |
| 297 | E | 84.3 | Confident | 83.2 | Confident | 53 Ų | 53 | 94.3 Ų | 94.3 | 25% | 0.248 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 173.6 | -67.4 | -168 | 177.2 | 0 | 0 | 110.8 | P288 E289 K292 D294 I295 C301 | P288-E297 HydrophobicContact CB-CB 3.67Å; E289-E297 PolarHBondContact N-OE2 3.17Å; K292-E297 WeakPolarHBondContact CD-OE1 3.48Å; K292-E297 WeakPolarHBondContact CE-OE1 3.26Å; K292-E297 IonicContact NZ-OE1 3.97Å; K292-E297 PolarHBondContact NZ-OE1 3.24Å; D294-E297 HydrophobicContact CB-CG 4.09Å; D294-E297 PolarHBondContact O-N 3.27Å; I295-E297 VanDerWaalsContact C-N 3.34Å; E297-C301 WeakPolarHBondContact O-CB 3.33Å; E297-C301 PolarHBondContact O-N 3.2Å |
| 298 | W | 83.3 | Confident | 83.7 | Confident | 120 Ų | 120 | 91.4 Ų | 91.4 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176 | -74.9 | 93.8 | 0 | 0 | 0 | 113.1 | P288 I295 Y296 C301 | P288-W298 HydrophobicContact CB-CD2 4.42Å; P288-W298 HydrophobicContact CB-CG 4.47Å; P288-W298 HydrophobicContact CG-CD2 3.31Å; P288-W298 VanDerWaalsContact CG-CE2 3.41Å; P288-W298 HydrophobicContact CG-CE3 3.57Å; P288-W298 HydrophobicContact CG-CG 3.76Å; P288-W298 HydrophobicContact CG-CH2 4.07Å; P288-W298 HydrophobicContact CG-CZ2 3.83Å; P288-W298 HydrophobicContact CG-CZ3 3.94Å; I295-W298 PolarHBondContact O-N 3.32Å; Y296-W298 VanDerWaalsContact C-N 3.31Å; Y296-W298 PolarHBondContact O-N 3.09Å; W298-C301 PolarHBondContact O-N 3.07Å |
| 299 | V | 85.4 | Confident | 84.2 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 67% | 0.667 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.9 | -35.1 | -178.6 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | I295 Y296 | I295-V299 HydrophobicContact CG1-CG2 4.22Å; I295-V299 VanDerWaalsContact O-CG2 3.3Å; I295-V299 WeakPolarHBondContact O-CG2 3.38Å; I295-V299 PolarHBondContact O-N 2.75Å; Y296-V299 PolarHBondContact O-N 2.68Å |
| 300 | L | 85.9 | Confident | 84.8 | Confident | 141 Ų | 141 | 97.2 Ų | 97.2 | 74% | 0.738 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -87 | -13.1 | 179.6 | -61.9 | 174.1 | 0 | 0 | 0 | 112.8 | Y296 W302 | Y296-L300 VanDerWaalsContact O-CB 3.23Å; Y296-L300 WeakPolarHBondContact O-CB 3.33Å; Y296-L300 WeakPolarHBondContact O-CG 3.35Å; Y296-L300 PolarHBondContact O-N 2.85Å; L300-W302 PolarHBondContact O-N 3.26Å; L300-W302 VanDerWaalsContact O-N 3.08Å |
| 301 | C | 83.1 | Confident | 85.7 | Confident | 35 Ų | 35 | 95.5 Ų | 95.5 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | trans | -73.7 | 99.2 | 175.9 | -172 | 0 | 0 | 0 | 0 | 110.2 | E297 W298 V303 | E297-C301 WeakPolarHBondContact O-CB 3.33Å; E297-C301 PolarHBondContact O-N 3.2Å; W298-C301 PolarHBondContact O-N 3.07Å; C301-V303 VanDerWaalsContact C-N 3.32Å; C301-V303 PolarHBondContact O-N 3.18Å; C301-V303 PolarHBondContact SG-O 3.39Å | ||
| 302 | W | 78.4 | Confident | 86.5 | Confident | 245 Ų | 245 | 90 Ų | 90 | 93% | 0.928 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -62.3 | -38.9 | 176.8 | -176.7 | -104.1 | 0 | 0 | 0 | 112.6 | L300 | L300-W302 PolarHBondContact O-N 3.26Å; L300-W302 VanDerWaalsContact O-N 3.08Å |
| 303 | V | 81.6 | Confident | 87.4 | Confident | 43 Ų | 43 | 89 Ų | 89 | 26% | 0.261 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -141.9 | 121.1 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | A194 C301 Q305 | A194-V303 HydrophobicContact CB-CG1 3.86Å; A194-V303 HydrophobicContact CB-CG2 4.15Å; A194-V303 WeakPolarHBondContact O-CG1 3.39Å; C301-V303 VanDerWaalsContact C-N 3.32Å; C301-V303 PolarHBondContact O-N 3.18Å; C301-V303 PolarHBondContact SG-O 3.39Å; V303-Q305 PolarHBondContact O-N 3.47Å |
| 304 | P | 84.8 | Confident | 88.4 | Confident | 56 Ų | 56 | 83.5 Ų | 83.5 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | trans | -59.3 | 136.2 | 173 | -24.2 | 34.1 | 0 | 0 | 0 | 111.7 | Q287 | Q287-P304 CarbonylContact O-C 3.51Å; Q287-P304 VanDerWaalsContact O-CA 3.3Å; Q287-P304 WeakPolarHBondContact O-CA 3.34Å | ||
| 305 | Q | 87.3 | Confident | 88.9 | Confident | 82 Ų | 82 | 82.4 Ų | 82.4 | 38% | 0.383 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 148.6 | 174.5 | -57.9 | -175.8 | 13.8 | 0 | 0 | 110.2 | T286 Q287 V303 | T286-Q305 PolarHBondContact N-O 2.97Å; T286-Q305 WeakPolarHBondContact OG1-CB 3.21Å; T286-Q305 PolarHBondContact OG1-O 3.31Å; Q287-Q305 HydrophobicContact CB-CB 4.02Å; Q287-Q305 HydrophobicContact CB-CG 4.26Å; Q287-Q305 PolarHBondContact N-O 3.17Å; Q287-Q305 PolarHBondContact O-N 3.43Å; V303-Q305 PolarHBondContact O-N 3.47Å |
| 306 | A | 89.3 | Confident | 89.3 | Confident | 9 Ų | 9 | 79.5 Ų | 79.5 | 7% | 0.074 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 151.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L193 W283 V284 T286 | L193-A306 HydrophobicContact CD2-CB 4.22Å; W283-A306 HydrophobicContact CD2-CB 3.65Å; W283-A306 HydrophobicContact CE3-CB 4.45Å; W283-A306 HydrophobicContact CG-CB 3.86Å; W283-A306 HydrophobicContact CH2-CB 4.39Å; W283-A306 HydrophobicContact CZ2-CB 3.58Å; V284-A306 CarbonylContact O-C 3.47Å; V284-A306 WeakPolarHBondContact O-CA 3.49Å; V284-A306 WeakPolarHBondContact O-CB 3.19Å; T286-A306 PolarHBondContact OG1-N 3.39Å |
| 307 | G | 91.3 | Very high | 89.7 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 32% | 0.32 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 144.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y192 V284 | Y192-G307 PolarHBondContact OH-O 2.99Å; V284-G307 PolarHBondContact N-O 3.39Å; V284-G307 PolarHBondContact O-N 3.17Å |
| 308 | Y | 94.6 | Very high | 90.1 | Very high | 40 Ų | 40 | 81 Ų | 81 | 16% | 0.157 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 96.3 | 166.9 | -174.5 | -110.5 | 0 | 0 | 0 | 109.5 | Y192 L200 F246 C248 S279 I280 G281 R310 | Y192-Y308 HydrophobicContact CD2-CD2 4.11Å; Y192-Y308 AromaticContact CE2-CD2 3.53Å; Y192-Y308 HydrophobicContact CE2-CD2 3.53Å; Y192-Y308 HydrophobicContact CE2-CE2 4.31Å; Y192-Y308 HydrophobicContact CE2-CG 4.32Å; Y192-Y308 AromaticContact CZ-CD2 3.77Å; Y192-Y308 WeakPolarHBondContact OH-CA 3.43Å; L200-Y308 HydrophobicContact CD1-CD1 3.71Å; L200-Y308 HydrophobicContact CD1-CE1 4.47Å; L200-Y308 HydrophobicContact CD1-CG 3.83Å; L200-Y308 HydrophobicContact CD2-CD1 4.32Å; L200-Y308 HydrophobicContact CD2-CE1 4.31Å; F246-Y308 HydrophobicContact CB-CE2 4.28Å; F246-Y308 PolarHBondContact O-OH 2.98Å; C248-Y308 HydrophobicContact CB-CE2 4.21Å; S279-Y308 PolarHBondContact O-OH 2.66Å; S279-Y308 PolarHBondContact OG-OH 2.68Å; I280-Y308 WeakPolarHBondContact CA-OH 3.48Å; G281-Y308 VanDerWaalsContact CA-CE2 3.43Å; G281-Y308 VanDerWaalsContact CA-CZ 3.49Å; G281-Y308 PolarHBondContact N-OH 2.64Å; Y308-R310 HydrophobicContact CD1-CB 4.31Å; Y308-R310 HydrophobicContact CE1-CB 4.06Å; Y308-R310 HydrophobicContact CE1-CG 4.37Å; Y308-R310 PolarHBondContact O-N 3.06Å |
| 309 | H | 94.9 | Very high | 90.7 | Very high | 114 Ų | 114 | 76.1 Ų | 76.1 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 93.3 | 176.1 | -173.6 | 74.6 | 0 | 0 | 0 | 109.5 | G281 Q282 V284 I311 | G281-H309 CarbonylContact C-O 3.47Å; G281-H309 WeakPolarHBondContact CA-O 3.44Å; Q282-H309 HydrophobicContact CB-CB 4.37Å; Q282-H309 PolarHBondContact N-O 3.01Å; Q282-H309 PolarHBondContact O-N 3.26Å; V284-H309 HydrophobicContact CG2-CB 4.05Å; H309-I311 PolarHBondContact O-N 3.36Å |
| 310 | R | 95.6 | Very high | 91.2 | Very high | 127 Ų | 127 | 72.9 Ų | 72.9 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 121.7 | -179.3 | -174.1 | 170.5 | 66.2 | -178.8 | 1.4 | 111 | E250 Y308 | E250-R310 IonicContact OE1-NH1 3.32Å; E250-R310 PolarHBondContact OE1-NH1 3.45Å; E250-R310 VanDerWaalsContact OE1-NH1 3.09Å; Y308-R310 HydrophobicContact CD1-CB 4.31Å; Y308-R310 HydrophobicContact CE1-CB 4.06Å; Y308-R310 HydrophobicContact CE1-CG 4.37Å; Y308-R310 PolarHBondContact O-N 3.06Å |
| 311 | I | 96.6 | Very high | 91.7 | Very high | 47 Ų | 47 | 66.4 Ų | 66.4 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -22.2 | -179.4 | 63.6 | 177.2 | 0 | 0 | 0 | 112.9 | Y245 I280 H309 L328 V331 | Y245-I311 HydrophobicContact CD1-CD1 3.72Å; Y245-I311 HydrophobicContact CE1-CD1 3.7Å; I280-I311 HydrophobicContact CB-CG1 4.33Å; I280-I311 HydrophobicContact CG2-CD1 4.01Å; I280-I311 HydrophobicContact CG2-CG1 4.11Å; I280-I311 VanDerWaalsContact O-CG1 3.31Å; I280-I311 WeakPolarHBondContact O-CG1 3.48Å; I280-I311 PolarHBondContact O-N 3.36Å; H309-I311 PolarHBondContact O-N 3.36Å; I311-L328 HydrophobicContact CD1-CD1 4.04Å; I311-V331 HydrophobicContact CB-CG1 4.43Å; I311-V331 HydrophobicContact CD1-CG1 3.96Å; I311-V331 HydrophobicContact CG1-CG1 4.39Å |
| 312 | L | 96.6 | Very high | 92.3 | Very high | 51 Ų | 51 | 65.3 Ų | 65.3 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 130.5 | -178.7 | -176.6 | 66 | 0 | 0 | 0 | 111.4 | S279 I280 L314 C327 V331 | S279-L312 CarbonylContact C-O 3.58Å; S279-L312 WeakPolarHBondContact CA-O 3.47Å; S279-L312 WeakPolarHBondContact CB-O 3.39Å; I280-L312 HydrophobicContact CB-CB 4.31Å; I280-L312 HydrophobicContact CD1-CD2 4.26Å; I280-L312 PolarHBondContact N-O 3.28Å; I280-L312 PolarHBondContact O-N 2.94Å; I280-L312 VanDerWaalsContact O-N 3.11Å; L312-L314 HydrophobicContact CD2-CD2 3.61Å; L312-L314 HydrophobicContact CD2-CG 4.5Å; L312-L314 HydrophobicContact CG-CD2 3.97Å; L312-C327 HydrophobicContact CD2-CB 3.75Å; L312-V331 HydrophobicContact CB-CG2 4.25Å; L312-V331 HydrophobicContact CD1-CG2 4.47Å; L312-V331 HydrophobicContact CD2-CG2 3.97Å; L312-V331 HydrophobicContact CG-CG2 4.47Å |
| 313 | C | 95.6 | Very high | 93.1 | Very high | 70 Ų | 70 | 57 Ų | 57 | 47% | 0.473 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.9 | 168.4 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 314 | L | 94.9 | Very high | 93.9 | Very high | 51 Ų | 51 | 55 Ų | 55 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -15.5 | -177.2 | -62.9 | 177.1 | 0 | 0 | 0 | 113.4 | L247 W278 I280 L312 P319 C327 | L247-L314 HydrophobicContact CD1-CD1 3.7Å; W278-L314 HydrophobicContact CB-CB 4.1Å; W278-L314 PolarHBondContact O-N 3.49Å; I280-L314 HydrophobicContact CD1-CD1 4.2Å; I280-L314 HydrophobicContact CG1-CD1 3.98Å; L312-L314 HydrophobicContact CD2-CD2 3.61Å; L312-L314 HydrophobicContact CD2-CG 4.5Å; L312-L314 HydrophobicContact CG-CD2 3.97Å; L314-P319 HydrophobicContact CD1-CB 4.23Å; L314-P319 HydrophobicContact CD1-CG 3.7Å; L314-C327 HydrophobicContact CD2-CB 4.29Å |
| 315 | G | 93.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 24% | 0.237 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98 | -156.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | W278 | W278-G315 PolarHBondContact N-O 2.99Å |
| 316 | A | 92.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 52 Ų | 52 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -85.1 | -24.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V275 K276 W278 | V275-A316 HydrophobicContact CG1-CB 3.85Å; K276-A316 WeakPolarHBondContact O-CA 3.43Å; W278-A316 PolarHBondContact NE1-O 2.89Å |
| 317 | E | 93.9 | Very high | 95.3 | Very high | 170 Ų | 170 | 53.4 Ų | 53.4 | 79% | 0.794 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -86.6 | 138 | -177.1 | -63.9 | -173.4 | 174.7 | 0 | 0 | 111.5 | W278 P319 | W278-E317 VanDerWaalsContact CD1-C 3.42Å; W278-E317 VanDerWaalsContact CD1-O 3.25Å; E317-P319 WeakPolarHBondContact O-CD 3.34Å |
| 318 | E | 94.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 52 Ų | 52 | 38% | 0.379 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 121 | 175 | -175.7 | -179.7 | 158.9 | 0 | 0 | 109.6 | R185 R203 W278 | R185-E318 IonicContact CZ-OE1 2.73Å; R185-E318 IonicContact NH1-OE1 3.29Å; R185-E318 IonicContact NH2-OE1 2.72Å; R185-E318 PolarHBondContact NH2-OE1 3.04Å; R203-E318 IonicContact CZ-OE1 2.91Å; R203-E318 IonicContact NE-OE1 3.17Å; R203-E318 PolarHBondContact NE-OE1 3.03Å; R203-E318 IonicContact NE-OE2 2.73Å; R203-E318 IonicContact NH2-OE1 2.82Å; R203-E318 PolarHBondContact NH2-OE1 3.2Å; R203-E318 IonicContact NH2-OE2 3.62Å; W278-E318 HydrophobicContact CD2-CB 4.34Å; W278-E318 HydrophobicContact CD2-CG 4.35Å; W278-E318 HydrophobicContact CE3-CG 4.45Å; W278-E318 HydrophobicContact CH2-CB 4.17Å; W278-E318 HydrophobicContact CH2-CG 3.62Å; W278-E318 HydrophobicContact CZ2-CB 3.49Å; W278-E318 VanDerWaalsContact CZ2-CB 3.49Å; W278-E318 HydrophobicContact CZ2-CG 3.5Å; W278-E318 VanDerWaalsContact CZ2-CG 3.5Å; W278-E318 HydrophobicContact CZ3-CG 4.12Å |
| 319 | P | 95.9 | Very high | 95.5 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 149 | 175.7 | 33.1 | -39.8 | 0 | 0 | 0 | 111 | L247 L314 E317 A324 | L247-P319 HydrophobicContact CD1-CG 3.87Å; L247-P319 HydrophobicContact CD2-CG 3.77Å; L247-P319 HydrophobicContact CG-CG 4.49Å; L314-P319 HydrophobicContact CD1-CB 4.23Å; L314-P319 HydrophobicContact CD1-CG 3.7Å; E317-P319 WeakPolarHBondContact O-CD 3.34Å; P319-A324 HydrophobicContact CB-CB 4.09Å; P319-A324 HydrophobicContact CG-CB 3.89Å |
| 320 | S | 95.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 157.9 | 167.2 | 84.2 | 0 | 0 | 0 | 0 | 110.8 | C322 T323 A324 | S320-C322 PolarHBondContact O-N 3.01Å; S320-T323 PolarHBondContact O-N 3.43Å; S320-T323 WeakPolarHBondContact OG-CB 3.25Å; S320-T323 PolarHBondContact OG-N 3.49Å; S320-T323 PolarHBondContact OG-OG1 2.95Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 3.01Å |
| 321 | A | 95.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I171 M204 T325 | I171-A321 HydrophobicContact CD1-CB 3.88Å; M204-A321 HydrophobicContact CE-CB 3.65Å; M204-A321 VanDerWaalsContact SD-CA 3.56Å; M204-A321 HydrophobicContact SD-CB 3.8Å; A321-T325 WeakPolarHBondContact O-CB 3.31Å; A321-T325 PolarHBondContact O-N 3.2Å; A321-T325 VanDerWaalsContact O-N 3.13Å; A321-T325 PolarHBondContact O-OG1 3.5Å |
| 322 | C | 95.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 8% | 0.081 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.6 | -50.7 | 174.3 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | R115 L133 S320 A324 T325 D326 | R115-C322 VanDerWaalsContact NH2-CA 3.31Å; R115-C322 PolarHBondContact NH2-O 3.15Å; L133-C322 PolarHBondContact O-SG 3.12Å; S320-C322 PolarHBondContact O-N 3.01Å; C322-A324 PolarHBondContact O-N 3.14Å; C322-T325 PolarHBondContact O-N 3.02Å; C322-D326 PolarHBondContact O-N 3.07Å |
| 323 | T | 96.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 44% | 0.436 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -46 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | S320 T325 D326 C327 | S320-T323 PolarHBondContact O-N 3.43Å; S320-T323 WeakPolarHBondContact OG-CB 3.25Å; S320-T323 PolarHBondContact OG-N 3.49Å; S320-T323 PolarHBondContact OG-OG1 2.95Å; T323-T325 VanDerWaalsContact C-N 3.31Å; T323-T325 PolarHBondContact O-N 3.26Å; T323-D326 PolarHBondContact O-N 3.49Å; T323-C327 WeakPolarHBondContact O-CB 3.42Å; T323-C327 PolarHBondContact O-N 3.2Å; T323-C327 PolarHBondContact O-SG 2.91Å |
| 324 | A | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | M204 W206 L247 I280 P319 S320 C322 C327 L328 | M204-A324 HydrophobicContact SD-CB 4.13Å; W206-A324 HydrophobicContact CH2-CB 3.84Å; W206-A324 HydrophobicContact CZ2-CB 3.94Å; L247-A324 HydrophobicContact CD2-CB 4.06Å; I280-A324 WeakPolarHBondContact CD1-O 3.19Å; P319-A324 HydrophobicContact CB-CB 4.09Å; P319-A324 HydrophobicContact CG-CB 3.89Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 3.01Å; C322-A324 PolarHBondContact O-N 3.14Å; A324-C327 PolarHBondContact O-N 3.46Å; A324-L328 PolarHBondContact O-N 2.86Å |
| 325 | T | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | L181 I183 W206 A321 C322 T323 C327 L328 V329 | L181-T325 HydrophobicContact CD2-CG2 3.89Å; I183-T325 HydrophobicContact CD1-CG2 3.88Å; W206-T325 PolarHBondContact NE1-OG1 3.47Å; A321-T325 WeakPolarHBondContact O-CB 3.31Å; A321-T325 PolarHBondContact O-N 3.2Å; A321-T325 VanDerWaalsContact O-N 3.13Å; A321-T325 PolarHBondContact O-OG1 3.5Å; C322-T325 PolarHBondContact O-N 3.02Å; T323-T325 VanDerWaalsContact C-N 3.31Å; T323-T325 PolarHBondContact O-N 3.26Å; T325-C327 VanDerWaalsContact C-N 3.32Å; T325-C327 PolarHBondContact O-N 3.39Å; T325-L328 PolarHBondContact O-N 3.49Å; T325-V329 WeakPolarHBondContact O-CB 3.47Å; T325-V329 WeakPolarHBondContact O-CG2 3.34Å; T325-V329 PolarHBondContact O-N 3.07Å |
| 326 | D | 95.8 | Very high | 90.4 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 178.1 | -62.3 | -21.1 | 0 | 0 | 0 | 111.2 | R115 C322 T323 V329 G330 | R115-D326 IonicContact CZ-OD1 2.64Å; R115-D326 VanDerWaalsContact CZ-OD1 3.29Å; R115-D326 IonicContact NE-OD1 2.63Å; R115-D326 PolarHBondContact NE-OD1 3.42Å; R115-D326 IonicContact NH2-OD1 3.02Å; R115-D326 PolarHBondContact NH2-OD1 2.88Å; R115-D326 IonicContact NH2-OD2 2.68Å; C322-D326 PolarHBondContact O-N 3.07Å; T323-D326 PolarHBondContact O-N 3.49Å; D326-V329 PolarHBondContact O-N 2.96Å; D326-G330 PolarHBondContact O-N 3.31Å |
| 327 | C | 96.9 | Very high | 87.5 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 172.2 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | I280 L312 L314 T323 A324 T325 V329 G330 V331 | I280-C327 HydrophobicContact CD1-CB 4.04Å; L312-C327 HydrophobicContact CD2-CB 3.75Å; L314-C327 HydrophobicContact CD2-CB 4.29Å; T323-C327 WeakPolarHBondContact O-CB 3.42Å; T323-C327 PolarHBondContact O-N 3.2Å; T323-C327 PolarHBondContact O-SG 2.91Å; A324-C327 PolarHBondContact O-N 3.46Å; T325-C327 VanDerWaalsContact C-N 3.32Å; T325-C327 PolarHBondContact O-N 3.39Å; C327-V329 PolarHBondContact O-N 3Å; C327-G330 PolarHBondContact O-N 3.42Å; C327-V331 WeakPolarHBondContact O-CG2 3.17Å; C327-V331 PolarHBondContact O-N 3.06Å |
| 328 | L | 97.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 177 | 174.2 | 65 | 0 | 0 | 0 | 110.9 | L181 W206 Y245 I280 I311 A324 T325 G330 V331 L332 | L181-L328 HydrophobicContact CD1-CD2 4.19Å; W206-L328 HydrophobicContact CB-CD2 3.53Å; W206-L328 HydrophobicContact CD2-CD2 3.45Å; W206-L328 VanDerWaalsContact CD2-CD2 3.45Å; W206-L328 HydrophobicContact CE3-CD2 3.83Å; W206-L328 HydrophobicContact CG-CD2 3.29Å; Y245-L328 HydrophobicContact CD1-CD1 3.75Å; Y245-L328 HydrophobicContact CE1-CD1 4.32Å; Y245-L328 HydrophobicContact CG-CD1 3.92Å; I280-L328 HydrophobicContact CD1-CB 4.18Å; I280-L328 HydrophobicContact CG2-CD1 3.97Å; I311-L328 HydrophobicContact CD1-CD1 4.04Å; A324-L328 PolarHBondContact O-N 2.86Å; T325-L328 PolarHBondContact O-N 3.49Å; L328-G330 VanDerWaalsContact C-N 3.3Å; L328-G330 PolarHBondContact O-N 3.47Å; L328-V331 PolarHBondContact O-N 3.43Å; L328-V331 VanDerWaalsContact O-N 3.11Å; L328-L332 HydrophobicContact CD1-CD1 4Å; L328-L332 HydrophobicContact CD1-CD2 4.35Å; L328-L332 HydrophobicContact CD1-CG 3.96Å; L328-L332 HydrophobicContact CD2-CD1 4.38Å; L328-L332 HydrophobicContact CG-CD1 3.85Å; L328-L332 HydrophobicContact CG-CG 4.21Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.06Å |
| 329 | V | 94.6 | Very high | 82.2 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.5 | -46.5 | 176.7 | 166.7 | 0 | 0 | 0 | 0 | 110.4 | I176 L181 T325 D326 C327 V331 L332 F333 | I176-V329 HydrophobicContact CD1-CB 4.17Å; I176-V329 HydrophobicContact CD1-CG1 3.51Å; I176-V329 HydrophobicContact CD1-CG2 3.5Å; L181-V329 HydrophobicContact CD2-CG2 4.02Å; T325-V329 WeakPolarHBondContact O-CB 3.47Å; T325-V329 WeakPolarHBondContact O-CG2 3.34Å; T325-V329 PolarHBondContact O-N 3.07Å; D326-V329 PolarHBondContact O-N 2.96Å; C327-V329 PolarHBondContact O-N 3Å; V329-V331 VanDerWaalsContact C-N 3.29Å; V329-V331 PolarHBondContact O-N 3.46Å; V329-L332 PolarHBondContact O-N 3.35Å; V329-F333 HydrophobicContact CG1-CD2 3.91Å; V329-F333 HydrophobicContact CG1-CE2 4.25Å; V329-F333 VanDerWaalsContact O-CD2 3.27Å; V329-F333 WeakPolarHBondContact O-CD2 3.31Å; V329-F333 PolarHBondContact O-N 3.33Å; V329-F333 VanDerWaalsContact O-N 3.13Å |
| 330 | G | 94.1 | Very high | 79.4 | Confident | 33 Ų | 33 | 56 Ų | 56 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -53.4 | -45.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D326 C327 L328 S334 | D326-G330 PolarHBondContact O-N 3.31Å; C327-G330 PolarHBondContact O-N 3.42Å; L328-G330 VanDerWaalsContact C-N 3.3Å; L328-G330 PolarHBondContact O-N 3.47Å; G330-S334 WeakPolarHBondContact O-CB 3.28Å; G330-S334 PolarHBondContact O-N 2.92Å; G330-S334 PolarHBondContact O-OG 2.96Å |
| 331 | V | 94 | Very high | 76.5 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67 | -44.6 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | I311 L312 C327 L328 V329 F333 Q335 | I311-V331 HydrophobicContact CB-CG1 4.43Å; I311-V331 HydrophobicContact CD1-CG1 3.96Å; I311-V331 HydrophobicContact CG1-CG1 4.39Å; L312-V331 HydrophobicContact CB-CG2 4.25Å; L312-V331 HydrophobicContact CD1-CG2 4.47Å; L312-V331 HydrophobicContact CD2-CG2 3.97Å; L312-V331 HydrophobicContact CG-CG2 4.47Å; C327-V331 WeakPolarHBondContact O-CG2 3.17Å; C327-V331 PolarHBondContact O-N 3.06Å; L328-V331 PolarHBondContact O-N 3.43Å; L328-V331 VanDerWaalsContact O-N 3.11Å; V329-V331 VanDerWaalsContact C-N 3.29Å; V329-V331 PolarHBondContact O-N 3.46Å; V331-F333 VanDerWaalsContact C-N 3.32Å; V331-F333 PolarHBondContact O-N 3.47Å; V331-Q335 WeakPolarHBondContact O-CG 3.15Å |
| 332 | L | 92.7 | Very high | 73.8 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.9 | -32.9 | -176.4 | -69 | 176.9 | 0 | 0 | 0 | 113.6 | V208 Y245 L328 V329 Q336 | V208-L332 HydrophobicContact CG1-CD1 4.31Å; V208-L332 HydrophobicContact CG2-CD1 3.89Å; Y245-L332 HydrophobicContact CE1-CD2 4.12Å; Y245-L332 HydrophobicContact CE2-CD2 4.22Å; L328-L332 HydrophobicContact CD1-CD1 4Å; L328-L332 HydrophobicContact CD1-CD2 4.35Å; L328-L332 HydrophobicContact CD1-CG 3.96Å; L328-L332 HydrophobicContact CD2-CD1 4.38Å; L328-L332 HydrophobicContact CG-CD1 3.85Å; L328-L332 HydrophobicContact CG-CG 4.21Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.06Å; V329-L332 PolarHBondContact O-N 3.35Å; L332-Q336 PolarHBondContact O-NE2 3.47Å; L332-Q336 VanDerWaalsContact O-NE2 3.11Å |
| 333 | F | 87.9 | Confident | 71 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 21% | 0.211 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -105 | -15.4 | -175.3 | -65.4 | -80.6 | 0 | 0 | 0 | 114.1 | I176 V179 V329 V331 Q335 | I176-F333 HydrophobicContact CB-CE1 4.3Å; I176-F333 HydrophobicContact CB-CE2 3.73Å; I176-F333 HydrophobicContact CB-CZ 3.51Å; I176-F333 HydrophobicContact CD1-CE2 3.93Å; I176-F333 HydrophobicContact CG1-CE2 4.46Å; I176-F333 HydrophobicContact CG2-CD1 4.25Å; I176-F333 HydrophobicContact CG2-CD2 4.01Å; I176-F333 HydrophobicContact CG2-CE1 3.74Å; I176-F333 HydrophobicContact CG2-CE2 3.5Å; I176-F333 HydrophobicContact CG2-CG 4.37Å; I176-F333 HydrophobicContact CG2-CZ 3.35Å; V179-F333 HydrophobicContact CB-CE1 4.4Å; V179-F333 HydrophobicContact CB-CZ 3.87Å; V179-F333 HydrophobicContact CG1-CZ 4.39Å; V179-F333 HydrophobicContact CG2-CE1 3.97Å; V179-F333 HydrophobicContact CG2-CZ 3.91Å; V329-F333 HydrophobicContact CG1-CD2 3.91Å; V329-F333 HydrophobicContact CG1-CE2 4.25Å; V329-F333 VanDerWaalsContact O-CD2 3.27Å; V329-F333 WeakPolarHBondContact O-CD2 3.31Å; V329-F333 PolarHBondContact O-N 3.33Å; V329-F333 VanDerWaalsContact O-N 3.13Å; V331-F333 VanDerWaalsContact C-N 3.32Å; V331-F333 PolarHBondContact O-N 3.47Å; F333-Q335 VanDerWaalsContact C-N 3.32Å |
| 334 | S | 82.5 | Confident | 68.1 | Low | 85 Ų | 85 | 71.2 Ų | 71.2 | 59% | 0.594 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.9 | -28.2 | 171 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | G330 Q336 | G330-S334 WeakPolarHBondContact O-CB 3.28Å; G330-S334 PolarHBondContact O-N 2.92Å; G330-S334 PolarHBondContact O-OG 2.96Å; S334-Q336 PolarHBondContact O-N 3.3Å |
| 335 | Q | 57.6 | Low | 65.4 | Low | 150 Ų | 150 | 79.8 Ų | 79.8 | 70% | 0.701 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4 | -179.6 | -65.7 | -169.1 | 43.1 | 0 | 0 | 114.3 | V331 F333 | V331-Q335 WeakPolarHBondContact O-CG 3.15Å; F333-Q335 VanDerWaalsContact C-N 3.32Å |
| 336 | Q | 51.5 | Low | 62.8 | Low | 109 Ų | 109 | 85.8 Ų | 85.8 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 18 | -176.1 | -66.6 | 179.8 | 36.9 | 0 | 0 | 114.4 | L332 S334 P338 | L332-Q336 PolarHBondContact O-NE2 3.47Å; L332-Q336 VanDerWaalsContact O-NE2 3.11Å; S334-Q336 PolarHBondContact O-N 3.3Å; Q336-P338 WeakPolarHBondContact O-CD 3.27Å |
| 337 | S | 31.2 | Very low | 60.4 | Low | 90 Ų | 90 | 91.7 Ų | 91.7 | 63% | 0.629 | 56% | 0.558 | S | S | * | * | trans | -97.8 | 95.9 | 170.5 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | V339 | S337-V339 PolarHBondContact O-N 3.13Å; S337-V339 VanDerWaalsContact O-N 3.08Å | ||
| 338 | P | 38.2 | Very low | 58.5 | Low | 119 Ų | 119 | 94.4 Ų | 94.4 | 77% | 0.773 | 57% | 0.573 | S | S | * | * | trans | -69.9 | 105.8 | 162 | 27.8 | -29 | 0 | 0 | 0 | 107.1 | Q336 A340 | Q336-P338 WeakPolarHBondContact O-CD 3.27Å; P338-A340 VanDerWaalsContact C-N 3.32Å; P338-A340 PolarHBondContact O-N 2.92Å | ||
| 339 | V | 37.9 | Very low | 56.5 | Low | 131 Ų | 131 | 99.4 Ų | 99.4 | 79% | 0.794 | 60% | 0.603 | S | S | * | * | trans | -60.9 | 102.9 | 160.4 | 175.8 | 0 | 0 | 0 | 0 | 105.9 | S337 G341 | S337-V339 PolarHBondContact O-N 3.13Å; S337-V339 VanDerWaalsContact O-N 3.08Å; V339-G341 VanDerWaalsContact C-N 3.27Å; V339-G341 PolarHBondContact O-N 3.49Å | ||
| 340 | A | 38.3 | Very low | 54.4 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 79% | 0.793 | 63% | 0.627 | S | S | * | * | trans | -59.5 | 98.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | P338 | P338-A340 VanDerWaalsContact C-N 3.32Å; P338-A340 PolarHBondContact O-N 2.92Å | ||
| 341 | G | 33.8 | Very low | 52.1 | Low | 52 Ų | 52 | 107.4 Ų | 107.4 | 54% | 0.536 | 64% | 0.644 | S | S | . | * | trans | -58.5 | 144.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V339 S343 | V339-G341 VanDerWaalsContact C-N 3.27Å; V339-G341 PolarHBondContact O-N 3.49Å; G341-S343 PolarHBondContact O-N 3.49Å; G341-S343 VanDerWaalsContact O-N 3.17Å | ||
| 342 | P | 38.5 | Very low | 49.4 | Very low | 115 Ų | 115 | 112.5 Ų | 112.5 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | trans | -62 | 123.7 | -178.8 | 26.5 | -31.8 | 0 | 0 | 0 | 108.8 | H344 | P342-H344 PolarHBondContact O-N 2.92Š| ||
| 343 | S | 36.9 | Very low | 46.6 | Very low | 113 Ų | 113 | 119 Ų | 119 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -57.1 | 107.2 | 166.2 | 15.3 | 0 | 0 | 0 | 0 | 108.1 | G341 E345 | G341-S343 PolarHBondContact O-N 3.49Å; G341-S343 VanDerWaalsContact O-N 3.17Å; S343-E345 VanDerWaalsContact C-N 3.28Å; S343-E345 PolarHBondContact O-N 3.21Å | ||
| 344 | H | 36.9 | Very low | 43.6 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | trans | -68.3 | 91.3 | 163.7 | -93 | -85.5 | 0 | 0 | 0 | 108.2 | P342 T346 | P342-H344 PolarHBondContact O-N 2.92Å; H344-T346 PolarHBondContact O-N 3.37Å | ||
| 345 | E | 39.3 | Very low | 40.6 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -66.2 | 109.3 | 154.6 | -75.5 | -174.8 | 159.9 | 0 | 0 | 107.4 | S343 | S343-E345 VanDerWaalsContact C-N 3.28Å; S343-E345 PolarHBondContact O-N 3.21Å | ||
| 346 | T | 43 | Very low | 39.2 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -98.6 | 112.5 | 165.2 | -45.7 | 0 | 0 | 0 | 0 | 106.2 | H344 | H344-T346 PolarHBondContact O-N 3.37Š| ||
| 347 | T | 45.1 | Very low | 38.1 | Very low | 201 Ų | 201 | 126.6 Ų | 126.6 | 100% | 1.233 | 79% | 0.791 | S | S | * | * | trans | -87 | 0 | 161 | -53.9 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 347 of 347 residues in 59.1 ms
(Link to these results)