| 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 | 51.7 | Low | 53.3 | Low | 243 Ų | 243 | 160.4 Ų | 160.4 | 100% | 1.197 | 88% | 0.884 | S | S | * | * | 0 | 129.9 | 0 | -76.9 | -179.5 | 154.7 | 0 | 0 | 108.8 | V3 | M1-V3 PolarHBondContact O-N 3.41Š| |||
| 2 | K | 52.4 | Low | 53.1 | Low | 213 Ų | 213 | 156.4 Ų | 156.4 | 93% | 0.926 | 88% | 0.876 | S | S | * | * | trans | -66.3 | 120.2 | -166.8 | -86.5 | 171.2 | 171 | 171.2 | 0 | 112.6 | ||||
| 3 | V | 45.6 | Very low | 52.7 | Low | 140 Ų | 140 | 156.4 Ų | 156.4 | 85% | 0.848 | 87% | 0.87 | S | S | * | * | trans | -80.1 | 120 | 170.6 | -179 | 0 | 0 | 0 | 0 | 108.6 | M1 | M1-V3 PolarHBondContact O-N 3.41Š| ||
| 4 | K | 59.5 | Low | 52.3 | Low | 201 Ų | 201 | 153.8 Ų | 153.8 | 87% | 0.874 | 87% | 0.866 | S | S | * | * | trans | -98.8 | 112.6 | 170.1 | -78.9 | -176.3 | 176.6 | 178.7 | 0 | 109 | ||||
| 5 | S | 50 | Low | 51.8 | Low | 115 Ų | 115 | 158.9 Ų | 158.9 | 80% | 0.804 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 124 | 169.9 | 54.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 6 | S | 63.8 | Low | 51.7 | Low | 122 Ų | 122 | 160.5 Ų | 160.5 | 85% | 0.853 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 135.4 | 169.9 | 50.1 | 0 | 0 | 0 | 0 | 111 | ||
| 7 | K | 65.6 | Low | 51.1 | Low | 196 Ų | 196 | 163.3 Ų | 163.3 | 85% | 0.852 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 154.3 | -175.9 | -65.5 | 172.2 | 177.6 | 177.5 | 0 | 111.9 | ||
| 8 | P | 48.3 | Very low | 50.5 | Low | 119 Ų | 119 | 164.5 Ų | 164.5 | 77% | 0.773 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 141.2 | 172.7 | 33.8 | -30.4 | 0 | 0 | 0 | 111.5 | T10 | P8-T10 PolarHBondContact O-N 3.1Š|
| 9 | L | 51.1 | Low | 50.2 | Low | 180 Ų | 180 | 161.3 Ų | 161.3 | 94% | 0.942 | 86% | 0.855 | S | S | * | * | trans | -77.2 | 112 | 173.9 | -72.7 | 165.8 | 0 | 0 | 0 | 110.2 | ||||
| 10 | T | 49.4 | Very low | 49.8 | Very low | 135 Ų | 135 | 164.3 Ų | 164.3 | 83% | 0.828 | 86% | 0.86 | S | S | * | * | trans | -80.5 | 111.5 | 166.7 | 48 | 0 | 0 | 0 | 0 | 109.6 | P8 | P8-T10 PolarHBondContact O-N 3.1Š| ||
| 11 | A | 49.2 | Very low | 49.4 | Very low | 100 Ų | 100 | 161.4 Ų | 161.4 | 83% | 0.826 | 85% | 0.854 | S | S | * | * | trans | -78.2 | 125.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | S | 50.3 | Low | 49.1 | Very low | 113 Ų | 113 | 159 Ų | 159 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -74.4 | 128.7 | 179.6 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | C14 | S12-C14 PolarHBondContact O-N 3.45Š| ||
| 13 | I | 48.3 | Very low | 48.9 | Very low | 156 Ų | 156 | 158.9 Ų | 158.9 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -78.9 | 100.3 | 173.4 | -66 | 168.7 | 0 | 0 | 0 | 108.1 | R15 | I13-R15 PolarHBondContact O-N 3.12Š| ||
| 14 | C | 47.1 | Very low | 49 | Very low | 120 Ų | 120 | 160 Ų | 160 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -85.9 | 101.2 | 176.3 | -144.6 | 0 | 0 | 0 | 0 | 110 | S12 K16 | S12-C14 PolarHBondContact O-N 3.45Å; C14-K16 PolarHBondContact O-N 3.35Å; C14-K16 VanDerWaalsContact O-N 3.13Å | ||
| 15 | R | 44.8 | Very low | 48.6 | Very low | 231 Ų | 231 | 155.9 Ų | 155.9 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -72 | 94.7 | 172.6 | -75.7 | -178.8 | 178.3 | -178.5 | 0.1 | 110.1 | I13 K17 | I13-R15 PolarHBondContact O-N 3.12Å; R15-K17 PolarHBondContact O-N 3.48Å | ||
| 16 | K | 49.8 | Very low | 48.7 | Very low | 184 Ų | 184 | 159.2 Ų | 159.2 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -81.6 | 107.1 | 165.8 | -108.1 | 175.8 | -179.8 | 172.9 | 0 | 110.1 | C14 F18 | C14-K16 PolarHBondContact O-N 3.35Å; C14-K16 VanDerWaalsContact O-N 3.13Å; K16-F18 PolarHBondContact O-N 3.42Å | ||
| 17 | K | 42 | Very low | 48.1 | Very low | 208 Ų | 208 | 158 Ų | 158 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -62.7 | 120.1 | 161.5 | -68.8 | -176.2 | 177.9 | 177.5 | 0 | 108 | R15 | R15-K17 PolarHBondContact O-N 3.48Š| ||
| 18 | F | 40.9 | Very low | 47.5 | Very low | 185 Ų | 185 | 155.9 Ų | 155.9 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -120 | 127.5 | 166.3 | -117.3 | -88.4 | 0 | 0 | 0 | 109.8 | K16 | K16-F18 PolarHBondContact O-N 3.42Š| ||
| 19 | S | 44.6 | Very low | 47.6 | Very low | 104 Ų | 104 | 160.3 Ų | 160.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -71.4 | 149.1 | -167.8 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | S21 | S19-S21 PolarHBondContact O-N 2.7Å; S19-S21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | K | 41.3 | Very low | 47.6 | Very low | 220 Ų | 220 | 157.8 Ų | 157.8 | 96% | 0.957 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -70.3 | 95.4 | 172.1 | -69.1 | 174.8 | 176.8 | 172.8 | 0 | 109.5 | ||
| 21 | S | 41.3 | Very low | 47.8 | Very low | 105 Ų | 105 | 157.9 Ų | 157.9 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -162.3 | 92.6 | 159.8 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | S19 | S19-S21 PolarHBondContact O-N 2.7Å; S19-S21 VanDerWaalsContact O-N 3.14Å | ||
| 22 | K | 45.3 | Very low | 48 | Very low | 191 Ų | 191 | 161.1 Ų | 161.1 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | 179.6 | 65.6 | 162.7 | -105.5 | 170.8 | -176.1 | 178 | 0 | 110 | ||||
| 23 | K | 47.8 | Very low | 48 | Very low | 211 Ų | 211 | 161.8 Ų | 161.8 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -111.6 | -1.1 | 170.4 | -91.6 | -171.3 | 177.8 | 179.6 | 0 | 114.4 | ||
| 24 | H | 48.3 | Very low | 48.1 | Very low | 163 Ų | 163 | 160.9 Ų | 160.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -105.1 | 0.1 | -173.2 | -123.9 | -50.8 | 0 | 0 | 0 | 116.7 | ||
| 25 | D | 50.6 | Low | 48.4 | Very low | 115 Ų | 115 | 162.7 Ų | 162.7 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -111.4 | -7.1 | -166.8 | -138.5 | 1 | 0 | 0 | 0 | 115.1 | ||
| 26 | K | 52.1 | Low | 48.7 | Very low | 185 Ų | 185 | 155.9 Ų | 155.9 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -85.7 | -17.8 | 178.8 | -81.5 | -175.2 | 175.4 | -179.3 | 0 | 114 | ||
| 27 | T | 52 | Low | 48.7 | Very low | 97 Ų | 97 | 156.1 Ų | 156.1 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -88.2 | -26.9 | -179 | 30.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 28 | K | 52.4 | Low | 49 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -76.9 | -27.8 | 174.9 | -74.9 | -174.1 | 175.5 | -177.2 | 0 | 113.4 | K32 | K28-K32 PolarHBondContact O-N 3.2Å |
| 29 | R | 51.9 | Low | 48.8 | Very low | 212 Ų | 212 | 144.6 Ų | 144.6 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -77.3 | -23.5 | 179.3 | -142.7 | 172.9 | -174.3 | 178.8 | 1.2 | 113.6 | ||
| 30 | L | 51.1 | Low | 48.6 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -82.6 | -27.7 | 173.9 | -108.4 | 116.6 | 0 | 0 | 0 | 113.3 | ||
| 31 | Q | 52.3 | Low | 48.5 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -74.6 | -32.7 | 174.5 | -119.1 | 173.4 | -2.7 | 0 | 0 | 112.3 | ||
| 32 | K | 54.3 | Low | 48.3 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 73% | 0.726 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -76.7 | -20.4 | 178.1 | -146.8 | 171 | -173.6 | 178.9 | 0 | 113.7 | K28 | K28-K32 PolarHBondContact O-N 3.2Å |
| 33 | L | 50.4 | Low | 47.8 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 67% | 0.665 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -86.8 | -15.8 | 177.2 | -139.6 | 85.6 | 0 | 0 | 0 | 113.5 | ||
| 34 | L | 50.5 | Low | 47.6 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -91.6 | -15.1 | 176.9 | -74.6 | 166.5 | 0 | 0 | 0 | 112.9 | ||
| 35 | Q | 53.1 | Low | 47 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -93.7 | -14.1 | 176.2 | -71.6 | 175.6 | -9.3 | 0 | 0 | 113.5 | ||
| 36 | S | 51.5 | Low | 46.4 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 11.6 | -177.6 | 69 | 0 | 0 | 0 | 0 | 114.7 | ||
| 37 | K | 49.7 | Very low | 45.4 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 13.6 | 178.4 | -94.1 | -169.6 | 174.9 | -171.6 | 0 | 114.2 | ||
| 38 | A | 47.2 | Very low | 45 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | -100.8 | 22.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 39 | G | 36.8 | Very low | 44.1 | Very low | 54 Ų | 54 | 147.4 Ų | 147.4 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | trans | -110.4 | 134.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 40 | L | 40.4 | Very low | 43.5 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 97% | 0.974 | 76% | 0.764 | S | S | * | * | trans | 77.1 | 120.8 | -175.5 | -58.1 | 92.8 | 0 | 0 | 0 | 113 | ||||
| 41 | S | 40 | Very low | 43 | Very low | 117 Ų | 117 | 144 Ų | 144 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -142.4 | 152.5 | 25.9 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 42 | K | 37 | Very low | 42.4 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 156.2 | 163.8 | -69.6 | 175.3 | 175.2 | 177.6 | 0 | 109.5 | ||||
| 43 | N | 35.5 | Very low | 41.8 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | 89.9 | 99.3 | 166 | -52.5 | -17.6 | 0 | 0 | 0 | 115.7 | ||||
| 44 | Q | 43.5 | Very low | 41.3 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | -171.7 | 119.5 | 111.7 | -95.3 | 169.9 | 13.3 | 0 | 0 | 108.9 | E46 | Q44-E46 PolarHBondContact O-N 3.33Š| |||
| 45 | N | 34 | Very low | 40.9 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -73.3 | 106.4 | 171.5 | -77 | -21.8 | 0 | 0 | 0 | 108.1 | ||||
| 46 | E | 38.2 | Very low | 41.1 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -126.3 | 106.3 | 158 | -80.9 | -171.8 | 165 | 0 | 0 | 109 | Q44 I48 | Q44-E46 PolarHBondContact O-N 3.33Å; E46-I48 PolarHBondContact O-N 3.2Å | ||
| 47 | T | 32.8 | Very low | 41.6 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -58.6 | 95.3 | 171 | -56.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 48 | I | 42.3 | Very low | 42.5 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -98.7 | 107.8 | 164.4 | -62.1 | 178.2 | 0 | 0 | 0 | 107.1 | E46 V50 | E46-I48 PolarHBondContact O-N 3.2Å; I48-V50 PolarHBondContact O-N 2.81Å | ||
| 49 | Q | 33.6 | Very low | 44 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -51.1 | 117.3 | 169 | -68.2 | 178.7 | 4 | 0 | 0 | 109.2 | ||||
| 50 | V | 40.4 | Very low | 46.1 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -106.3 | 107.3 | 167.9 | -168.9 | 0 | 0 | 0 | 0 | 106.5 | I48 A52 | I48-V50 PolarHBondContact O-N 2.81Å; V50-A52 PolarHBondContact O-N 3.45Å | ||
| 51 | D | 39 | Very low | 48.1 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | -45.9 | 107.4 | 176.9 | -74.2 | -62.8 | 0 | 0 | 0 | 112.2 | K53 | D51-K53 PolarHBondContact O-N 3.15Š| ||
| 52 | A | 40.3 | Very low | 50.1 | Low | 104 Ų | 104 | 142.7 Ų | 142.7 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -73.3 | 80.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | V50 | V50-A52 PolarHBondContact O-N 3.45Š| ||
| 53 | K | 42.7 | Very low | 52.3 | Low | 186 Ų | 186 | 141.4 Ų | 141.4 | 81% | 0.809 | 74% | 0.737 | S | S | * | * | trans | -132.9 | 129.9 | 169.8 | -90.5 | -179 | 178.6 | 172.2 | 0 | 112.4 | D51 | D51-K53 PolarHBondContact O-N 3.15Š| ||
| 54 | C | 37.9 | Very low | 54.8 | Low | 102 Ų | 102 | 141.1 Ų | 141.1 | 69% | 0.689 | 73% | 0.729 | S | S | * | * | trans | 86.4 | 79.7 | 163.4 | -130.2 | 0 | 0 | 0 | 0 | 117.8 | E56 | C54-E56 PolarHBondContact O-N 3.42Š| ||
| 55 | T | 43.1 | Very low | 56.9 | Low | 150 Ų | 150 | 141 Ų | 141 | 92% | 0.92 | 72% | 0.72 | S | S | * | * | trans | -71.9 | 58.1 | 151.7 | 44.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 56 | E | 58.2 | Low | 59.3 | Low | 146 Ų | 146 | 138.1 Ų | 138.1 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -77.3 | 128.8 | 172 | -126.6 | 179.8 | 173.8 | 0 | 0 | 109.2 | C54 L58 | C54-E56 PolarHBondContact O-N 3.42Å; E56-L58 PolarHBondContact O-N 3.4Å | ||
| 57 | K | 62 | Low | 61.7 | Low | 199 Ų | 199 | 138.1 Ų | 138.1 | 87% | 0.865 | 70% | 0.699 | S | S | * | * | trans | -67.7 | 76.9 | 178.7 | -69.9 | -174.8 | -179.7 | 177.7 | 0 | 110.1 | T59 | K57-T59 PolarHBondContact O-N 3.29Š| ||
| 58 | L | 67.2 | Low | 64.3 | Low | 74 Ų | 74 | 140.2 Ų | 140.2 | 39% | 0.387 | 69% | 0.691 | S | S | . | * | trans | -56.3 | 125.7 | 175.8 | -72.3 | 164.3 | 0 | 0 | 0 | 109.6 | E56 Q62 R63 | E56-L58 PolarHBondContact O-N 3.4Å; L58-Q62 HydrophobicContact CB-CB 4.2Å; L58-Q62 HydrophobicContact CD2-CB 3.73Å; L58-Q62 HydrophobicContact CD2-CG 4.32Å; L58-R63 HydrophobicContact CB-CG 3.77Å; L58-R63 PolarHBondContact O-NE 2.74Å; L58-R63 VanDerWaalsContact O-NE 3.08Å | ||
| 59 | T | 78.3 | Confident | 66.6 | Low | 81 Ų | 81 | 138.1 Ų | 138.1 | 50% | 0.497 | 68% | 0.678 | S | S | . | * | trans | -56.9 | 154.7 | 173.8 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | K57 S61 Q62 R63 | K57-T59 PolarHBondContact O-N 3.29Å; T59-S61 PolarHBondContact O-N 2.95Å; T59-Q62 PolarHBondContact O-N 3.33Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.38Å; T59-Q62 PolarHBondContact OG1-OE1 3.36Å; T59-R63 PolarHBondContact O-N 2.74Å; T59-R63 VanDerWaalsContact O-N 3.14Å | ||
| 60 | K | 82.8 | Confident | 69.2 | Low | 199 Ų | 199 | 134.9 Ų | 134.9 | 87% | 0.865 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -51.2 | -32.8 | 178.2 | -71.4 | -178.3 | 178.9 | 175.2 | 0 | 112.2 | K64 | K60-K64 PolarHBondContact O-N 2.89Å |
| 61 | S | 81.9 | Confident | 71.6 | Confident | 91 Ų | 91 | 135.4 Ų | 135.4 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.2 | -47.7 | 176.2 | -173.8 | 0 | 0 | 0 | 0 | 113.1 | T59 R63 K64 R65 | T59-S61 PolarHBondContact O-N 2.95Å; S61-R63 PolarHBondContact O-N 3.07Å; S61-K64 WeakPolarHBondContact O-CB 3.29Å; S61-K64 PolarHBondContact O-N 2.87Å; S61-R65 PolarHBondContact O-N 3.18Å |
| 62 | Q | 82.3 | Confident | 74 | Confident | 99 Ų | 99 | 133.9 Ų | 133.9 | 46% | 0.463 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65 | -40.5 | -179.5 | -71.4 | 164.8 | -36 | 0 | 0 | 112 | L58 T59 K64 R65 H66 | L58-Q62 HydrophobicContact CB-CB 4.2Å; L58-Q62 HydrophobicContact CD2-CB 3.73Å; L58-Q62 HydrophobicContact CD2-CG 4.32Å; T59-Q62 PolarHBondContact O-N 3.33Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.38Å; T59-Q62 PolarHBondContact OG1-OE1 3.36Å; Q62-K64 VanDerWaalsContact C-N 3.3Å; Q62-K64 PolarHBondContact O-N 2.66Å; Q62-R65 PolarHBondContact O-N 2.91Å; Q62-R65 VanDerWaalsContact O-N 3.16Å; Q62-H66 PolarHBondContact O-N 3.01Å |
| 63 | R | 82.5 | Confident | 76.3 | Confident | 159 Ų | 159 | 135.9 Ų | 135.9 | 60% | 0.6 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -58.9 | -40.7 | 173.8 | -64.9 | -177.1 | -173.8 | -163 | -5.4 | 112 | L58 T59 S61 H66 K67 | L58-R63 HydrophobicContact CB-CG 3.77Å; L58-R63 PolarHBondContact O-NE 2.74Å; L58-R63 VanDerWaalsContact O-NE 3.08Å; T59-R63 PolarHBondContact O-N 2.74Å; T59-R63 VanDerWaalsContact O-N 3.14Å; S61-R63 PolarHBondContact O-N 3.07Å; R63-H66 PolarHBondContact O-N 2.75Å; R63-K67 WeakPolarHBondContact O-CB 3.31Å; R63-K67 PolarHBondContact O-N 2.84Å |
| 64 | K | 87.1 | Confident | 78.5 | Confident | 145 Ų | 145 | 133 Ų | 133 | 63% | 0.63 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.4 | -37.5 | 177.1 | -168.1 | 176 | -177.7 | 177.8 | 0 | 111.9 | K60 S61 Q62 R68 | K60-K64 PolarHBondContact O-N 2.89Å; S61-K64 WeakPolarHBondContact O-CB 3.29Å; S61-K64 PolarHBondContact O-N 2.87Å; Q62-K64 VanDerWaalsContact C-N 3.3Å; Q62-K64 PolarHBondContact O-N 2.66Å; K64-R68 PolarHBondContact O-N 3.37Å; K64-R68 VanDerWaalsContact O-N 3.14Å |
| 65 | R | 88.6 | Confident | 80.8 | Confident | 179 Ų | 179 | 135.7 Ų | 135.7 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.1 | -46.3 | 175.2 | -171 | 177.1 | -178.5 | -178.5 | 0.2 | 111.7 | S61 Q62 K67 R68 Q69 | S61-R65 PolarHBondContact O-N 3.18Å; Q62-R65 PolarHBondContact O-N 2.91Å; Q62-R65 VanDerWaalsContact O-N 3.16Å; R65-K67 PolarHBondContact O-N 2.95Å; R65-R68 WeakPolarHBondContact O-CB 3.42Å; R65-R68 PolarHBondContact O-N 3.28Å; R65-Q69 PolarHBondContact O-N 3.34Å |
| 66 | H | 83.5 | Confident | 82.8 | Confident | 107 Ų | 107 | 135.6 Ų | 135.6 | 50% | 0.495 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.6 | -47.9 | 177.5 | -165.9 | -92.8 | 0 | 0 | 0 | 111.4 | Q62 R63 R68 Q69 E70 | Q62-H66 PolarHBondContact O-N 3.01Å; R63-H66 PolarHBondContact O-N 2.75Å; H66-R68 VanDerWaalsContact C-N 3.28Å; H66-R68 PolarHBondContact O-N 3.3Å; H66-Q69 PolarHBondContact O-N 2.92Å; H66-Q69 VanDerWaalsContact O-N 3.08Å; H66-E70 WeakPolarHBondContact O-CG 3.49Å; H66-E70 PolarHBondContact O-N 3.32Å |
| 67 | K | 88.7 | Confident | 84.1 | Confident | 165 Ų | 165 | 131.5 Ų | 131.5 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.3 | -33.7 | 176.4 | -167 | 170.5 | -174.8 | 171.6 | 0 | 113.1 | R63 R65 K71 | R63-K67 WeakPolarHBondContact O-CB 3.31Å; R63-K67 PolarHBondContact O-N 2.84Å; R65-K67 PolarHBondContact O-N 2.95Å; K67-K71 WeakPolarHBondContact O-CB 3.15Å; K67-K71 PolarHBondContact O-N 3.32Å; K67-K71 VanDerWaalsContact O-N 3.16Å |
| 68 | R | 88.6 | Confident | 85 | Confident | 181 Ų | 181 | 124.5 Ų | 124.5 | 68% | 0.683 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69 | -42.5 | 173.4 | -88.9 | -177.7 | 161.2 | -175.1 | -4.9 | 112.1 | K64 R65 H66 K71 L72 | K64-R68 PolarHBondContact O-N 3.37Å; K64-R68 VanDerWaalsContact O-N 3.14Å; R65-R68 WeakPolarHBondContact O-CB 3.42Å; R65-R68 PolarHBondContact O-N 3.28Å; H66-R68 VanDerWaalsContact C-N 3.28Å; H66-R68 PolarHBondContact O-N 3.3Å; R68-K71 PolarHBondContact O-N 3.17Å; R68-L72 PolarHBondContact O-N 3.48Å |
| 69 | Q | 89.8 | Confident | 85.6 | Confident | 94 Ų | 94 | 128.1 Ų | 128.1 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -44 | 178.3 | -73.5 | -177.2 | -7.4 | 0 | 0 | 111.9 | R65 H66 K71 L72 K73 | R65-Q69 PolarHBondContact O-N 3.34Å; H66-Q69 PolarHBondContact O-N 2.92Å; H66-Q69 VanDerWaalsContact O-N 3.08Å; Q69-K71 PolarHBondContact O-N 2.85Å; Q69-L72 WeakPolarHBondContact O-CB 3.42Å; Q69-L72 PolarHBondContact O-N 3.07Å; Q69-L72 VanDerWaalsContact O-N 3.16Å; Q69-K73 WeakPolarHBondContact O-CG 3.31Å; Q69-K73 PolarHBondContact O-N 3.08Å |
| 70 | E | 88.7 | Confident | 85.5 | Confident | 104 Ų | 104 | 128.4 Ų | 128.4 | 49% | 0.486 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -57.8 | -47.2 | 173.7 | -71.8 | -116.6 | 111.4 | 0 | 0 | 112 | H66 L72 K73 L74 | H66-E70 WeakPolarHBondContact O-CG 3.49Å; H66-E70 PolarHBondContact O-N 3.32Å; E70-L72 VanDerWaalsContact C-N 3.27Å; E70-L72 PolarHBondContact O-N 2.83Å; E70-K73 PolarHBondContact O-N 2.64Å; E70-K73 VanDerWaalsContact O-N 3.16Å; E70-L74 WeakPolarHBondContact O-CG 3.4Å; E70-L74 PolarHBondContact O-N 3.45Å |
| 71 | K | 90.7 | Very high | 85 | Confident | 146 Ų | 146 | 123.2 Ų | 123.2 | 64% | 0.635 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.3 | -34 | 176.6 | -168.7 | 174.2 | -177.4 | 176.4 | 0 | 112.5 | K67 R68 Q69 R75 | K67-K71 WeakPolarHBondContact O-CB 3.15Å; K67-K71 PolarHBondContact O-N 3.32Å; K67-K71 VanDerWaalsContact O-N 3.16Å; R68-K71 PolarHBondContact O-N 3.17Å; Q69-K71 PolarHBondContact O-N 2.85Å; K71-R75 WeakPolarHBondContact O-CB 3.04Å; K71-R75 WeakPolarHBondContact O-CG 3.24Å; K71-R75 PolarHBondContact O-N 3.44Å |
| 72 | L | 88.7 | Confident | 84.3 | Confident | 101 Ų | 101 | 124.1 Ų | 124.1 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.2 | -42.4 | 173.8 | -97.8 | 146.6 | 0 | 0 | 0 | 112 | R68 Q69 E70 R75 K76 | R68-L72 PolarHBondContact O-N 3.48Å; Q69-L72 WeakPolarHBondContact O-CB 3.42Å; Q69-L72 PolarHBondContact O-N 3.07Å; Q69-L72 VanDerWaalsContact O-N 3.16Å; E70-L72 VanDerWaalsContact C-N 3.27Å; E70-L72 PolarHBondContact O-N 2.83Å; L72-R75 PolarHBondContact O-N 3.43Å; L72-K76 WeakPolarHBondContact O-CG 3.16Å; L72-K76 PolarHBondContact O-N 2.97Å |
| 73 | K | 89.8 | Confident | 83.3 | Confident | 146 Ų | 146 | 124.9 Ų | 124.9 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.7 | -46.9 | 173.8 | -72 | -179.4 | 179.6 | -178.5 | 0 | 110.9 | Q69 E70 R75 K76 A77 | Q69-K73 WeakPolarHBondContact O-CG 3.31Å; Q69-K73 PolarHBondContact O-N 3.08Å; E70-K73 PolarHBondContact O-N 2.64Å; E70-K73 VanDerWaalsContact O-N 3.16Å; K73-R75 PolarHBondContact O-N 3.01Å; K73-K76 PolarHBondContact O-N 3.17Å; K73-A77 WeakPolarHBondContact O-CB 3.47Å; K73-A77 PolarHBondContact O-N 2.91Å |
| 74 | L | 87.3 | Confident | 82.3 | Confident | 125 Ų | 125 | 126.6 Ų | 126.6 | 65% | 0.654 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.1 | -39.8 | 175 | -71.5 | 171.6 | 0 | 0 | 0 | 112.7 | E70 A78 | E70-L74 WeakPolarHBondContact O-CG 3.4Å; E70-L74 PolarHBondContact O-N 3.45Å; L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.44Å; L74-A78 PolarHBondContact O-N 3.39Å |
| 75 | R | 86.5 | Confident | 80.8 | Confident | 158 Ų | 158 | 125 Ų | 125 | 60% | 0.596 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.4 | -35.7 | 174.6 | -76.3 | -179.1 | 82.6 | -177 | 7.1 | 113 | K71 L72 K73 K79 | K71-R75 WeakPolarHBondContact O-CB 3.04Å; K71-R75 WeakPolarHBondContact O-CG 3.24Å; K71-R75 PolarHBondContact O-N 3.44Å; L72-R75 PolarHBondContact O-N 3.43Å; K73-R75 PolarHBondContact O-N 3.01Å; R75-K79 WeakPolarHBondContact O-CB 3.18Å; R75-K79 WeakPolarHBondContact O-CG 3.39Å; R75-K79 PolarHBondContact O-N 2.9Å |
| 76 | K | 86.6 | Confident | 79.4 | Confident | 149 Ų | 149 | 124.6 Ų | 124.6 | 65% | 0.648 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.7 | -44.2 | 174.9 | -76.7 | -175.6 | 177.1 | -173.6 | 0 | 110.9 | L72 K73 K79 A80 | L72-K76 WeakPolarHBondContact O-CG 3.16Å; L72-K76 PolarHBondContact O-N 2.97Å; K73-K76 PolarHBondContact O-N 3.17Å; K76-K79 PolarHBondContact O-N 2.69Å; K76-A80 WeakPolarHBondContact O-CB 3.18Å; K76-A80 PolarHBondContact O-N 2.94Å |
| 77 | A | 84.8 | Confident | 78 | Confident | 60 Ų | 60 | 125.4 Ų | 125.4 | 50% | 0.496 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.5 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K73 K79 A80 S81 | K73-A77 WeakPolarHBondContact O-CB 3.47Å; K73-A77 PolarHBondContact O-N 2.91Å; A77-K79 VanDerWaalsContact C-N 3.29Å; A77-K79 PolarHBondContact O-N 3.06Å; A77-A80 PolarHBondContact O-N 2.89Å; A77-A80 VanDerWaalsContact O-N 3.13Å; A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 3.15Å |
| 78 | A | 81.3 | Confident | 76.5 | Confident | 52 Ų | 52 | 127 Ų | 127 | 43% | 0.43 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.9 | -31.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L74 S81 I82 | L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.44Å; L74-A78 PolarHBondContact O-N 3.39Å; A78-S81 PolarHBondContact O-OG 2.85Å; A78-S81 VanDerWaalsContact O-OG 3.14Å; A78-I82 VanDerWaalsContact O-CG1 3.3Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 3.49Å |
| 79 | K | 79.6 | Confident | 74.9 | Confident | 150 Ų | 150 | 125.5 Ų | 125.5 | 65% | 0.652 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.7 | -33.8 | 173 | -78.7 | -178.1 | 176.2 | -168.7 | 0 | 112.7 | R75 K76 A77 | R75-K79 WeakPolarHBondContact O-CB 3.18Å; R75-K79 WeakPolarHBondContact O-CG 3.39Å; R75-K79 PolarHBondContact O-N 2.9Å; K76-K79 PolarHBondContact O-N 2.69Å; A77-K79 VanDerWaalsContact C-N 3.29Å; A77-K79 PolarHBondContact O-N 3.06Å |
| 80 | A | 75.9 | Confident | 73.3 | Confident | 86 Ų | 86 | 125.7 Ų | 125.7 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.6 | -29.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K76 A77 | K76-A80 WeakPolarHBondContact O-CB 3.18Å; K76-A80 PolarHBondContact O-N 2.94Å; A77-A80 PolarHBondContact O-N 2.89Å; A77-A80 VanDerWaalsContact O-N 3.13Å |
| 81 | S | 72.3 | Confident | 71.8 | Confident | 91 Ų | 91 | 132.2 Ų | 132.2 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -83.3 | -6.7 | 176.8 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | A77 A78 P83 | A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 3.15Å; A78-S81 PolarHBondContact O-OG 2.85Å; A78-S81 VanDerWaalsContact O-OG 3.14Å; S81-P83 WeakPolarHBondContact O-CD 3.42Å |
| 82 | I | 67.8 | Low | 70.5 | Confident | 109 Ų | 109 | 128 Ų | 128 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -75.1 | 117.2 | 170.4 | -68.2 | 161.7 | 0 | 0 | 0 | 106.5 | A78 K84 | A78-I82 VanDerWaalsContact O-CG1 3.3Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 3.49Å; I82-K84 PolarHBondContact O-N 2.88Å |
| 83 | P | 60.7 | Low | 69.7 | Low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 120.9 | 175.4 | -20.4 | 31 | 0 | 0 | 0 | 108.1 | S81 P85 | S81-P83 WeakPolarHBondContact O-CD 3.42Å; P83-P85 WeakPolarHBondContact O-CD 3.4Å; P83-P85 VanDerWaalsContact O-N 3.11Å |
| 84 | K | 62.4 | Low | 68.9 | Low | 195 Ų | 195 | 124 Ų | 124 | 85% | 0.848 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 123.9 | 170.5 | -83.1 | 177.4 | -179.7 | 171.6 | 0 | 106.1 | I82 E86 | I82-K84 PolarHBondContact O-N 2.88Å; K84-E86 PolarHBondContact O-N 3.22Å |
| 85 | P | 55.4 | Low | 68.6 | Low | 113 Ų | 113 | 119.3 Ų | 119.3 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 123.5 | 173 | 22 | -29.1 | 0 | 0 | 0 | 106.5 | P83 | P83-P85 WeakPolarHBondContact O-CD 3.4Å; P83-P85 VanDerWaalsContact O-N 3.11Å |
| 86 | E | 58.1 | Low | 68.4 | Low | 170 Ų | 170 | 112 Ų | 112 | 79% | 0.794 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 138 | 175.1 | -70.1 | -165.2 | 158 | 0 | 0 | 108.5 | K84 K88 | K84-E86 PolarHBondContact O-N 3.22Å; E86-K88 VanDerWaalsContact C-N 3.32Å; E86-K88 PolarHBondContact O-N 3.44Å |
| 87 | P | 54.7 | Low | 68.3 | Low | 124 Ų | 124 | 109.1 Ų | 109.1 | 81% | 0.805 | 61% | 0.608 | S | S | * | * | trans | -59.6 | 100.7 | 176.9 | 22.6 | -29.2 | 0 | 0 | 0 | 107.8 | E89 | P87-E89 PolarHBondContact O-N 3.38Å; P87-E89 VanDerWaalsContact O-N 3.12Å | ||
| 88 | K | 56.4 | Low | 68.2 | Low | 197 Ų | 197 | 108.6 Ų | 108.6 | 86% | 0.857 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 120.3 | 172.7 | -68.7 | -177.2 | 179.4 | -179.5 | 0 | 106.4 | E86 | E86-K88 VanDerWaalsContact C-N 3.32Å; E86-K88 PolarHBondContact O-N 3.44Å |
| 89 | E | 56 | Low | 68.2 | Low | 150 Ų | 150 | 107.9 Ų | 107.9 | 70% | 0.701 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 137.6 | 179.8 | -65.1 | -171.7 | 160.6 | 0 | 0 | 109.4 | P87 R91 | P87-E89 PolarHBondContact O-N 3.38Å; P87-E89 VanDerWaalsContact O-N 3.12Å; E89-R91 PolarHBondContact O-N 3.17Å |
| 90 | P | 55.7 | Low | 67.7 | Low | 99 Ų | 99 | 110.3 Ų | 110.3 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.6 | 177.9 | 22.7 | -31.6 | 0 | 0 | 0 | 108.5 | T92 | P90-T92 PolarHBondContact O-N 3.01Š|
| 91 | R | 56.6 | Low | 67.3 | Low | 240 Ų | 240 | 112.6 Ų | 112.6 | 91% | 0.906 | 59% | 0.591 | S | S | * | * | trans | -51 | 113.2 | 178.1 | -70.4 | -177.6 | 177.6 | -175.6 | -1.8 | 108.2 | E89 | E89-R91 PolarHBondContact O-N 3.17Š| ||
| 92 | T | 63.6 | Low | 66.6 | Low | 58 Ų | 58 | 117.9 Ų | 117.9 | 36% | 0.356 | 60% | 0.603 | S | S | . | * | trans | -61.2 | 144.3 | 176.1 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | P90 V96 | P90-T92 PolarHBondContact O-N 3.01Å; T92-V96 HydrophobicContact CG2-CG1 4.46Å | ||
| 93 | S | 71.3 | Confident | 66.3 | Low | 34 Ų | 34 | 117.4 Ų | 117.4 | 24% | 0.238 | 62% | 0.615 | C | S | . | * | trans | -56.8 | 148.1 | 170.5 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | S95 V96 Q242 | S93-S95 PolarHBondContact O-N 2.92Å; S93-V96 PolarHBondContact O-N 3.23Å; S93-Q242 VanDerWaalsContact N-OE1 3.1Å; S93-Q242 PolarHBondContact OG-OE1 3.34Å | ||
| 94 | S | 74.9 | Confident | 66.6 | Low | 130 Ų | 130 | 115.3 Ų | 115.3 | 91% | 0.909 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -14.5 | 179.6 | 53 | 0 | 0 | 0 | 0 | 113.7 | V96 | S94-V96 VanDerWaalsContact C-N 3.33Š|
| 95 | S | 80.3 | Confident | 66.8 | Low | 25 Ų | 25 | 110 Ų | 110 | 18% | 0.175 | 59% | 0.585 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -20.1 | 174.2 | 175.3 | 0 | 0 | 0 | 0 | 113.5 | S93 I286 H287 | S93-S95 PolarHBondContact O-N 2.92Å; S95-I286 CarbonylContact O-C 3.56Å; S95-I286 WeakPolarHBondContact O-CA 3.44Å; S95-H287 PolarHBondContact O-N 2.9Å; S95-H287 VanDerWaalsContact OG-CA 3.24Å; S95-H287 WeakPolarHBondContact OG-CA 3.41Å; S95-H287 PolarHBondContact OG-CE1 2.88Å; S95-H287 PolarHBondContact OG-N 3.16Å; S95-H287 PolarHBondContact OG-ND1 3.01Å |
| 96 | V | 82.1 | Confident | 67.7 | Low | 6 Ų | 6 | 106.2 Ų | 106.2 | 4% | 0.036 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 115.6 | -175.5 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | T92 S93 S94 D239 V243 T284 F285 I286 | T92-V96 HydrophobicContact CG2-CG1 4.46Å; S93-V96 PolarHBondContact O-N 3.23Å; S94-V96 VanDerWaalsContact C-N 3.33Å; V96-D239 HydrophobicContact CG2-CB 4.44Å; V96-V243 HydrophobicContact CB-CG2 4.45Å; V96-V243 HydrophobicContact CG1-CG2 3.4Å; V96-V243 HydrophobicContact CG2-CG2 4.15Å; V96-T284 HydrophobicContact CG1-CG2 4.23Å; V96-F285 WeakPolarHBondContact CA-O 3.46Å; V96-I286 HydrophobicContact CG2-CG2 4.5Å |
| 97 | V | 84.8 | Confident | 68.7 | Low | 87 Ų | 87 | 101.8 Ų | 101.8 | 53% | 0.527 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 114 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 109 | T284 F285 | V97-T284 WeakPolarHBondContact O-CG2 3.45Å; V97-F285 HydrophobicContact CB-CB 4.17Å; V97-F285 PolarHBondContact N-O 2.87Å; V97-F285 PolarHBondContact O-N 3.45Å |
| 98 | L | 83.3 | Confident | 70.1 | Confident | 49 Ų | 49 | 96.8 Ų | 96.8 | 26% | 0.257 | 52% | 0.516 | S | S | . | . | trans | -78.9 | 144.7 | 177.3 | -67.6 | 174 | 0 | 0 | 0 | 110.5 | E100 V243 K281 T284 | L98-E100 PolarHBondContact O-N 2.67Å; L98-V243 HydrophobicContact CD2-CG1 4.34Å; L98-K281 HydrophobicContact CD2-CD 3.78Å; L98-T284 HydrophobicContact CD2-CG2 3.86Å | ||
| 99 | P | 80.2 | Confident | 71.2 | Confident | 38 Ų | 38 | 93.1 Ų | 93.1 | 25% | 0.247 | 51% | 0.506 | C | S | . | . | trans | -60.4 | 130.3 | 174 | -20.8 | 32.9 | 0 | 0 | 0 | 110.6 | R101 H282 T284 | P99-R101 PolarHBondContact O-N 2.94Å; P99-R101 VanDerWaalsContact O-N 3.15Å; P99-H282 WeakPolarHBondContact CG-O 3.46Å; P99-T284 WeakPolarHBondContact CD-OG1 3.13Å | ||
| 100 | E | 69.9 | Low | 72.8 | Confident | 200 Ų | 200 | 89 Ų | 89 | 94% | 0.935 | 49% | 0.491 | S | S | * | . | trans | -68.1 | 111.7 | 174.3 | -65.6 | -170.7 | 171.2 | 0 | 0 | 109.5 | L98 | L98-E100 PolarHBondContact O-N 2.67Š| ||
| 101 | R | 66.1 | Low | 74.5 | Confident | 134 Ų | 134 | 88.3 Ų | 88.3 | 51% | 0.506 | 48% | 0.482 | S | S | . | . | trans | -130 | 133.3 | 169.8 | -66.9 | -165.2 | 176.3 | 117 | -13.3 | 110 | P99 E279 L280 | P99-R101 PolarHBondContact O-N 2.94Å; P99-R101 VanDerWaalsContact O-N 3.15Å; R101-E279 PolarHBondContact NH1-O 3.31Å; R101-E279 PolarHBondContact NH2-O 2.9Å; R101-L280 HydrophobicContact CB-CD1 4.19Å; R101-L280 VanDerWaalsContact NH1-C 3.28Å; R101-L280 VanDerWaalsContact NH1-CA 3.31Å; R101-L280 PolarHBondContact NH1-O 3.41Å | ||
| 102 | K | 58.1 | Low | 76.2 | Confident | 202 Ų | 202 | 84.1 Ų | 84.1 | 88% | 0.878 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -62.4 | 158.8 | 168.4 | -63.3 | 179.4 | -178 | 176.4 | 0 | 108.8 | Y104 | K102-Y104 PolarHBondContact O-N 3.31Š|
| 103 | A | 62.1 | Low | 77.7 | Confident | 100 Ų | 100 | 86.8 Ų | 86.8 | 83% | 0.826 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -28.3 | 126.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A105 | A103-A105 PolarHBondContact O-N 2.99Š|
| 104 | Y | 66.2 | Low | 78.7 | Confident | 70 Ų | 70 | 85.2 Ų | 85.2 | 28% | 0.275 | 47% | 0.468 | S | S | . | . | trans | -59.5 | 110 | -176.8 | 177.1 | -92.5 | 0 | 0 | 0 | 110.8 | K102 K276 E279 | K102-Y104 PolarHBondContact O-N 3.31Å; Y104-K276 HydrophobicContact CD1-CD 4.26Å; Y104-K276 HydrophobicContact CD1-CG 4.47Å; Y104-K276 HydrophobicContact CD2-CG 4.24Å; Y104-K276 HydrophobicContact CE1-CD 4.09Å; Y104-K276 HydrophobicContact CE1-CG 4.08Å; Y104-K276 HydrophobicContact CE2-CB 4.35Å; Y104-K276 HydrophobicContact CE2-CG 3.81Å; Y104-K276 WeakPolarHBondContact OH-CA 3.33Å; Y104-E279 HydrophobicContact CE2-CB 4.17Å | ||
| 105 | A | 67.7 | Low | 79.7 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 69% | 0.686 | 43% | 0.431 | S | S | * | . | trans | -111.9 | 125.3 | 158 | 0 | 0 | 0 | 0 | 0 | 106 | A103 S107 | A103-A105 PolarHBondContact O-N 2.99Å; A105-S107 PolarHBondContact O-N 3.35Å | ||
| 106 | S | 73.5 | Confident | 80.3 | Confident | 35 Ų | 35 | 82.8 Ų | 82.8 | 25% | 0.245 | 44% | 0.443 | C | S | . | . | trans | -61.8 | 121.3 | 177.5 | 34.1 | 0 | 0 | 0 | 0 | 108.6 | L108 D109 | S106-L108 VanDerWaalsContact C-N 3.33Å; S106-D109 WeakPolarHBondContact CB-OD1 3.46Å; S106-D109 PolarHBondContact OG-OD1 3.49Å | ||
| 107 | S | 79.4 | Confident | 80.9 | Confident | 76 Ų | 76 | 83.5 Ų | 83.5 | 53% | 0.531 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -85.8 | -16.9 | 176.3 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | A105 E279 | A105-S107 PolarHBondContact O-N 3.35Å; S107-E279 PolarHBondContact N-OE2 3.14Å; S107-E279 VanDerWaalsContact N-OE2 3.09Å; S107-E279 PolarHBondContact OG-OE2 2.86Å |
| 108 | L | 84.2 | Confident | 81.3 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 11% | 0.105 | 42% | 0.424 | C | S | . | . | trans | -109.9 | 48.6 | -173.2 | -47.8 | 178.3 | 0 | 0 | 0 | 111.4 | S106 T110 K113 L114 A117 L275 F278 E279 | S106-L108 VanDerWaalsContact C-N 3.33Å; L108-T110 PolarHBondContact O-N 3.06Å; L108-K113 HydrophobicContact CD2-CB 4.23Å; L108-L114 HydrophobicContact CB-CB 4.31Å; L108-L114 HydrophobicContact CB-CD1 4.42Å; L108-L114 HydrophobicContact CD1-CD1 3.91Å; L108-A117 HydrophobicContact CD1-CB 3.68Å; L108-A117 HydrophobicContact CD2-CB 3.72Å; L108-A117 HydrophobicContact CG-CB 4.38Å; L108-L275 HydrophobicContact CB-CD1 4.39Å; L108-L275 HydrophobicContact CD1-CD1 4.39Å; L108-F278 HydrophobicContact CD1-CD1 4.11Å; L108-F278 HydrophobicContact CD1-CE1 3.75Å; L108-E279 VanDerWaalsContact CB-OE1 3.26Å; L108-E279 WeakPolarHBondContact CB-OE1 3.37Å; L108-E279 HydrophobicContact CD1-CG 3.61Å; L108-E279 HydrophobicContact CG-CG 4.07Å; L108-E279 WeakPolarHBondContact CG-OE1 3.44Å; L108-E279 PolarHBondContact N-OE1 3.28Å | ||
| 109 | D | 78.7 | Confident | 81.8 | Confident | 120 Ų | 120 | 79.5 Ų | 79.5 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | trans | -66.7 | -24.7 | -178.6 | -67.6 | -30.8 | 0 | 0 | 0 | 113.3 | S106 | S106-D109 WeakPolarHBondContact CB-OD1 3.46Å; S106-D109 PolarHBondContact OG-OD1 3.49Å | ||
| 110 | T | 90.8 | Very high | 82.4 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -103.1 | 146 | 178.2 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | L108 E112 K113 L114 | L108-T110 PolarHBondContact O-N 3.06Å; T110-E112 PolarHBondContact O-N 3.45Å; T110-K113 PolarHBondContact O-N 2.77Å; T110-K113 WeakPolarHBondContact OG1-CB 3.24Å; T110-K113 WeakPolarHBondContact OG1-CD 3.47Å; T110-K113 WeakPolarHBondContact OG1-CG 3.28Å; T110-K113 PolarHBondContact OG1-N 2.89Å; T110-L114 PolarHBondContact O-N 2.98Å |
| 111 | D | 91.5 | Very high | 83.5 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -33.5 | 178.8 | -85.6 | 7.2 | 0 | 0 | 0 | 112.2 | L115 L218 R271 | D111-L115 VanDerWaalsContact O-CB 3.32Å; D111-L115 WeakPolarHBondContact O-CB 3.21Å; D111-L115 PolarHBondContact O-N 3.4Å; D111-L218 HydrophobicContact CB-CD1 3.57Å; D111-R271 IonicContact OD1-CZ 3.91Å; D111-R271 IonicContact OD1-NH1 3.85Å; D111-R271 PolarHBondContact OD1-NH1 3.02Å; D111-R271 IonicContact OD1-NH2 3.77Å; D111-R271 PolarHBondContact OD1-NH2 3.25Å; D111-R271 IonicContact OD2-NH1 3.42Å; D111-R271 IonicContact OD2-NH2 3.99Å |
| 112 | E | 92.8 | Very high | 84.7 | Confident | 151 Ų | 151 | 68.3 Ų | 68.3 | 71% | 0.706 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.3 | -51.8 | 174.9 | -64.1 | 177.2 | 171.6 | 0 | 0 | 111.9 | T110 L114 L115 D116 | T110-E112 PolarHBondContact O-N 3.45Å; E112-L114 VanDerWaalsContact C-N 3.27Å; E112-L114 PolarHBondContact O-N 3.09Å; E112-L115 WeakPolarHBondContact O-CB 3.34Å; E112-L115 PolarHBondContact O-N 3.35Å; E112-L115 VanDerWaalsContact O-N 3.11Å; E112-D116 PolarHBondContact O-N 3.5Å |
| 113 | K | 93.3 | Very high | 86.3 | Confident | 115 Ų | 115 | 59.8 Ų | 59.8 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 177.3 | -72.8 | 176.7 | -176.6 | 179.3 | 0 | 111.3 | L108 T110 A117 | L108-K113 HydrophobicContact CD2-CB 4.23Å; T110-K113 PolarHBondContact O-N 2.77Å; T110-K113 WeakPolarHBondContact OG1-CB 3.24Å; T110-K113 WeakPolarHBondContact OG1-CD 3.47Å; T110-K113 WeakPolarHBondContact OG1-CG 3.28Å; T110-K113 PolarHBondContact OG1-N 2.89Å; K113-A117 WeakPolarHBondContact O-CB 3.28Å; K113-A117 PolarHBondContact O-N 3Å |
| 114 | L | 93.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.2 | 176.7 | 59 | 0 | 0 | 0 | 111.4 | L108 T110 E112 A117 I118 L218 M223 L275 F278 F295 | L108-L114 HydrophobicContact CB-CB 4.31Å; L108-L114 HydrophobicContact CB-CD1 4.42Å; L108-L114 HydrophobicContact CD1-CD1 3.91Å; T110-L114 PolarHBondContact O-N 2.98Å; E112-L114 VanDerWaalsContact C-N 3.27Å; E112-L114 PolarHBondContact O-N 3.09Å; L114-A117 PolarHBondContact O-N 3.19Å; L114-I118 HydrophobicContact CD1-CD1 4.01Å; L114-I118 HydrophobicContact CD1-CG1 4.23Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 VanDerWaalsContact O-CG1 3.25Å; L114-I118 WeakPolarHBondContact O-CG1 3.4Å; L114-I118 PolarHBondContact O-N 3.15Å; L114-L218 HydrophobicContact CD2-CD2 4.29Å; L114-L218 HydrophobicContact CG-CD2 4.27Å; L114-M223 HydrophobicContact CD2-SD 4.22Å; L114-L275 HydrophobicContact CD1-CD1 3.41Å; L114-L275 VanDerWaalsContact CD1-CD1 3.41Å; L114-L275 HydrophobicContact CD2-CD1 4.21Å; L114-L275 HydrophobicContact CG-CD1 4.38Å; L114-F278 HydrophobicContact CD1-CD1 4.4Å; L114-F278 HydrophobicContact CD1-CE1 4.14Å; L114-F295 HydrophobicContact CD1-CE2 3.94Å |
| 115 | L | 94.3 | Very high | 88.8 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 179.4 | -177.1 | 57.3 | 0 | 0 | 0 | 110.9 | D111 E112 A117 I118 R119 L218 | D111-L115 VanDerWaalsContact O-CB 3.32Å; D111-L115 WeakPolarHBondContact O-CB 3.21Å; D111-L115 PolarHBondContact O-N 3.4Å; E112-L115 WeakPolarHBondContact O-CB 3.34Å; E112-L115 PolarHBondContact O-N 3.35Å; E112-L115 VanDerWaalsContact O-N 3.11Å; L115-A117 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 3.16Å; L115-I118 WeakPolarHBondContact O-CB 3.4Å; L115-I118 PolarHBondContact O-N 2.99Å; L115-I118 VanDerWaalsContact O-N 3.17Å; L115-R119 HydrophobicContact CD1-CG 4.32Å; L115-R119 HydrophobicContact CG-CG 4.48Å; L115-R119 VanDerWaalsContact O-CG 3.26Å; L115-R119 WeakPolarHBondContact O-CG 3.47Å; L115-R119 PolarHBondContact O-N 2.83Å; L115-L218 HydrophobicContact CB-CD2 3.96Å; L115-L218 HydrophobicContact CB-CG 4.08Å; L115-L218 HydrophobicContact CD1-CD2 3.91Å; L115-L218 HydrophobicContact CD1-CG 4.07Å; L115-L218 HydrophobicContact CG-CD2 4.49Å; L115-L218 HydrophobicContact CG-CG 4.45Å |
| 116 | D | 93.9 | Very high | 89.8 | Confident | 79 Ų | 79 | 54 Ų | 54 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 177.2 | -69.6 | -19.3 | 0 | 0 | 0 | 111.7 | E112 I118 R119 N120 | E112-D116 PolarHBondContact O-N 3.5Å; D116-I118 VanDerWaalsContact C-N 3.33Å; D116-I118 PolarHBondContact O-N 2.92Å; D116-R119 PolarHBondContact O-N 2.88Å; D116-R119 IonicContact OD1-NH1 3.8Å; D116-N120 VanDerWaalsContact O-CB 3.29Å; D116-N120 WeakPolarHBondContact O-CB 3.36Å; D116-N120 PolarHBondContact O-N 3.32Å; D116-N120 PolarHBondContact O-ND2 3.02Å |
| 117 | A | 94 | Very high | 90.7 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L108 K113 L114 L115 R121 F278 | L108-A117 HydrophobicContact CD1-CB 3.68Å; L108-A117 HydrophobicContact CD2-CB 3.72Å; L108-A117 HydrophobicContact CG-CB 4.38Å; K113-A117 WeakPolarHBondContact O-CB 3.28Å; K113-A117 PolarHBondContact O-N 3Å; L114-A117 PolarHBondContact O-N 3.19Å; L115-A117 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 3.16Å; A117-R121 WeakPolarHBondContact O-CB 3.41Å; A117-R121 PolarHBondContact O-N 2.87Å; A117-R121 VanDerWaalsContact O-N 3.14Å; A117-F278 HydrophobicContact CB-CE1 4.4Å |
| 118 | I | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 175.2 | -68.3 | 165.8 | 0 | 0 | 0 | 110.4 | L114 L115 D116 R121 L122 L218 F221 M223 F278 M294 F295 | L114-I118 HydrophobicContact CD1-CD1 4.01Å; L114-I118 HydrophobicContact CD1-CG1 4.23Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 VanDerWaalsContact O-CG1 3.25Å; L114-I118 WeakPolarHBondContact O-CG1 3.4Å; L114-I118 PolarHBondContact O-N 3.15Å; L115-I118 WeakPolarHBondContact O-CB 3.4Å; L115-I118 PolarHBondContact O-N 2.99Å; L115-I118 VanDerWaalsContact O-N 3.17Å; D116-I118 VanDerWaalsContact C-N 3.33Å; D116-I118 PolarHBondContact O-N 2.92Å; I118-R121 PolarHBondContact O-N 2.76Å; I118-L122 HydrophobicContact CG2-CD1 4.28Å; I118-L122 WeakPolarHBondContact O-CG 3.48Å; I118-L122 PolarHBondContact O-N 3.43Å; I118-L218 HydrophobicContact CD1-CD2 3.9Å; I118-F221 HydrophobicContact CG2-CD1 4.39Å; I118-F221 HydrophobicContact CG2-CD2 4.41Å; I118-F221 HydrophobicContact CG2-CE1 3.75Å; I118-F221 HydrophobicContact CG2-CE2 3.78Å; I118-F221 HydrophobicContact CG2-CZ 3.41Å; I118-F221 VanDerWaalsContact CG2-CZ 3.41Å; I118-M223 HydrophobicContact CD1-CE 4.5Å; I118-F278 HydrophobicContact CB-CZ 4.5Å; I118-F278 HydrophobicContact CG1-CE1 4.45Å; I118-F278 HydrophobicContact CG1-CE2 3.91Å; I118-F278 HydrophobicContact CG1-CZ 3.61Å; I118-M294 HydrophobicContact CG2-CE 4.42Å; I118-F295 HydrophobicContact CD1-CD2 3.52Å; I118-F295 HydrophobicContact CD1-CE2 4.03Å; I118-F295 HydrophobicContact CD1-CG 4.38Å; I118-F295 HydrophobicContact CG1-CD2 3.85Å; I118-F295 HydrophobicContact CG1-CE2 4.36Å |
| 119 | R | 93.6 | Very high | 91.6 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | -179.6 | -70.5 | 177.1 | 172 | 162.6 | -11.6 | 111.4 | L115 D116 R121 L122 V123 P213 L214 R216 | L115-R119 HydrophobicContact CD1-CG 4.32Å; L115-R119 HydrophobicContact CG-CG 4.48Å; L115-R119 VanDerWaalsContact O-CG 3.26Å; L115-R119 WeakPolarHBondContact O-CG 3.47Å; L115-R119 PolarHBondContact O-N 2.83Å; D116-R119 PolarHBondContact O-N 2.88Å; D116-R119 IonicContact OD1-NH1 3.8Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.4Å; R119-L122 WeakPolarHBondContact O-CB 3.43Å; R119-L122 PolarHBondContact O-N 2.81Å; R119-L122 VanDerWaalsContact O-N 3.12Å; R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 2.97Å; R119-P213 WeakPolarHBondContact CG-O 3.4Å; R119-L214 HydrophobicContact CB-CD2 4.42Å; R119-L214 VanDerWaalsContact CZ-O 3.27Å; R119-L214 PolarHBondContact NE-O 3.25Å; R119-L214 VanDerWaalsContact NE-O 3.12Å; R119-L214 PolarHBondContact NH2-O 2.94Å; R119-R216 VanDerWaalsContact CZ-O 3.25Å; R119-R216 PolarHBondContact NE-O 3.33Å; R119-R216 PolarHBondContact NH2-O 2.74Å |
| 120 | N | 93.3 | Very high | 92.2 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 178.7 | -71.1 | -20.5 | 0 | 0 | 0 | 111.5 | D116 L122 V123 E124 | D116-N120 VanDerWaalsContact O-CB 3.29Å; D116-N120 WeakPolarHBondContact O-CB 3.36Å; D116-N120 PolarHBondContact O-N 3.32Å; D116-N120 PolarHBondContact O-ND2 3.02Å; N120-L122 VanDerWaalsContact C-N 3.35Å; N120-L122 PolarHBondContact O-N 2.78Å; N120-V123 PolarHBondContact O-N 3.39Å; N120-E124 WeakPolarHBondContact O-CB 3.36Å; N120-E124 PolarHBondContact O-N 2.84Å |
| 121 | R | 92.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.5 | -32.5 | 178.6 | -163.5 | 179.3 | -56 | 168.5 | -4.3 | 112.9 | A117 I118 R119 M125 F278 H282 Y292 V293 M294 | A117-R121 WeakPolarHBondContact O-CB 3.41Å; A117-R121 PolarHBondContact O-N 2.87Å; A117-R121 VanDerWaalsContact O-N 3.14Å; I118-R121 PolarHBondContact O-N 2.76Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.4Å; R121-M125 VanDerWaalsContact O-CB 3.25Å; R121-M125 WeakPolarHBondContact O-CB 3.4Å; R121-M125 PolarHBondContact O-N 2.91Å; R121-F278 VanDerWaalsContact NH1-CD2 3.32Å; R121-F278 PolarHBondContact NH1-O 3.13Å; R121-F278 PolarHBondContact NH2-O 3.35Å; R121-H282 PolarHBondContact NE-CD2 3.48Å; R121-H282 VanDerWaalsContact NE-CD2 3.3Å; R121-Y292 HydrophobicContact CG-CD1 4.04Å; R121-Y292 HydrophobicContact CG-CE1 4.19Å; R121-V293 WeakPolarHBondContact CD-O 3.25Å; R121-V293 PolarHBondContact NH1-O 2.92Å; R121-M294 HydrophobicContact CB-CE 3.76Å; R121-M294 HydrophobicContact CB-SD 3.82Å; R121-M294 HydrophobicContact CG-CE 3.92Å; R121-M294 HydrophobicContact CG-SD 3.66Å |
| 122 | L | 91.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 171.6 | -76.5 | 174.6 | 0 | 0 | 0 | 111.9 | I118 R119 N120 M125 Y126 P213 F221 M294 | I118-L122 HydrophobicContact CG2-CD1 4.28Å; I118-L122 WeakPolarHBondContact O-CG 3.48Å; I118-L122 PolarHBondContact O-N 3.43Å; R119-L122 WeakPolarHBondContact O-CB 3.43Å; R119-L122 PolarHBondContact O-N 2.81Å; R119-L122 VanDerWaalsContact O-N 3.12Å; N120-L122 VanDerWaalsContact C-N 3.35Å; N120-L122 PolarHBondContact O-N 2.78Å; L122-M125 HydrophobicContact CD2-CE 3.75Å; L122-M125 PolarHBondContact O-N 3.32Å; L122-Y126 PolarHBondContact O-N 2.87Å; L122-P213 HydrophobicContact CB-CB 3.82Å; L122-P213 HydrophobicContact CB-CG 4.23Å; L122-P213 HydrophobicContact CD1-CB 4.26Å; L122-F221 HydrophobicContact CD1-CE1 4.14Å; L122-F221 HydrophobicContact CD1-CZ 3.81Å; L122-M294 HydrophobicContact CD2-SD 4Å; L122-M294 HydrophobicContact CG-SD 4.16Å |
| 123 | V | 91 | Very high | 92 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | R119 N120 M125 Y126 Q127 L199 P213 L214 | R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 2.97Å; N120-V123 PolarHBondContact O-N 3.39Å; V123-M125 VanDerWaalsContact C-N 3.33Å; V123-M125 PolarHBondContact O-N 3.03Å; V123-Y126 PolarHBondContact O-N 2.89Å; V123-Y126 VanDerWaalsContact O-N 3.12Å; V123-Q127 HydrophobicContact CG1-CG 4.35Å; V123-Q127 WeakPolarHBondContact O-CG 3.37Å; V123-Q127 PolarHBondContact O-N 3.37Å; V123-L199 HydrophobicContact CG2-CD2 4.03Å; V123-P213 HydrophobicContact CG2-CB 4.11Å; V123-L214 HydrophobicContact CG2-CD2 3.89Å; V123-L214 HydrophobicContact CG2-CG 4.26Å |
| 124 | E | 90.9 | Very high | 91.7 | Very high | 70 Ų | 70 | 32.6 Ų | 32.6 | 33% | 0.327 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -55.9 | -47.4 | 177.3 | -171.8 | -160.6 | 141.3 | 0 | 0 | 111.4 | N120 Y126 Q127 H128 Y292 | N120-E124 WeakPolarHBondContact O-CB 3.36Å; N120-E124 PolarHBondContact O-N 2.84Å; E124-Y126 VanDerWaalsContact C-N 3.31Å; E124-Y126 PolarHBondContact O-N 2.97Å; E124-Q127 PolarHBondContact O-N 3.46Å; E124-H128 PolarHBondContact O-N 3.3Å; E124-H128 VanDerWaalsContact O-N 3.16Å; E124-H128 IonicContact OE1-CE1 2.92Å; E124-Y292 PolarHBondContact OE1-OH 3Å |
| 125 | M | 90.7 | Very high | 91.3 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 177.9 | -178.1 | -173.9 | 66.9 | 0 | 0 | 112.3 | R121 L122 V123 H128 T129 L229 Y292 | R121-M125 VanDerWaalsContact O-CB 3.25Å; R121-M125 WeakPolarHBondContact O-CB 3.4Å; R121-M125 PolarHBondContact O-N 2.91Å; L122-M125 HydrophobicContact CD2-CE 3.75Å; L122-M125 PolarHBondContact O-N 3.32Å; V123-M125 VanDerWaalsContact C-N 3.33Å; V123-M125 PolarHBondContact O-N 3.03Å; M125-H128 PolarHBondContact O-N 2.91Å; M125-T129 WeakPolarHBondContact O-CB 3.47Å; M125-T129 PolarHBondContact O-N 2.85Å; M125-T129 PolarHBondContact O-OG1 3.22Å; M125-L229 HydrophobicContact CE-CD1 4.44Å; M125-L229 HydrophobicContact SD-CD1 3.53Å; M125-L229 VanDerWaalsContact SD-CD1 3.53Å; M125-Y292 HydrophobicContact CB-CD1 3.94Å; M125-Y292 HydrophobicContact CB-CE1 3.88Å; M125-Y292 HydrophobicContact CG-CD1 4.2Å; M125-Y292 HydrophobicContact CG-CE1 4.46Å |
| 126 | Y | 88.8 | Confident | 90.8 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 18% | 0.176 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.9 | -38.1 | 177.9 | -71.8 | -10.7 | 0 | 0 | 0 | 112.6 | L122 V123 E124 H128 T129 C197 L199 P213 | L122-Y126 PolarHBondContact O-N 2.87Å; V123-Y126 PolarHBondContact O-N 2.89Å; V123-Y126 VanDerWaalsContact O-N 3.12Å; E124-Y126 VanDerWaalsContact C-N 3.31Å; E124-Y126 PolarHBondContact O-N 2.97Å; Y126-H128 PolarHBondContact O-N 3Å; Y126-T129 PolarHBondContact O-N 2.9Å; Y126-T129 VanDerWaalsContact O-N 3.1Å; Y126-C197 HydrophobicContact CD1-CB 4.32Å; Y126-C197 HydrophobicContact CG-CB 4.33Å; Y126-L199 HydrophobicContact CD2-CD2 4.29Å; Y126-P213 HydrophobicContact CD2-CG 3.59Å; Y126-P213 HydrophobicContact CE2-CG 3.23Å |
| 127 | Q | 90.5 | Very high | 90 | Very high | 92 Ų | 92 | 39 Ų | 39 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.8 | -21.2 | 175.1 | -72.4 | 173.9 | -16.4 | 0 | 0 | 113.4 | V123 E124 H172 L175 | V123-Q127 HydrophobicContact CG1-CG 4.35Å; V123-Q127 WeakPolarHBondContact O-CG 3.37Å; V123-Q127 PolarHBondContact O-N 3.37Å; E124-Q127 PolarHBondContact O-N 3.46Å; Q127-H172 PolarHBondContact O-ND1 2.8Å; Q127-L175 WeakPolarHBondContact O-CD1 3.39Å |
| 128 | H | 91.7 | Very high | 89.4 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 13% | 0.13 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 4.6 | 176.8 | -61.5 | 164.2 | 0 | 0 | 0 | 113.9 | E124 M125 Y126 K168 F169 Y292 | E124-H128 PolarHBondContact O-N 3.3Å; E124-H128 VanDerWaalsContact O-N 3.16Å; E124-H128 IonicContact OE1-CE1 2.92Å; M125-H128 PolarHBondContact O-N 2.91Å; Y126-H128 PolarHBondContact O-N 3Å; H128-K168 CarbonylContact O-C 3.56Å; H128-K168 WeakPolarHBondContact O-CA 3.37Å; H128-F169 PolarHBondContact O-N 3.45Å; H128-Y292 PolarHBondContact ND1-OH 3.47Å |
| 129 | T | 91.9 | Very high | 88.8 | Confident | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.3 | -178.5 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | M125 Y126 F166 A167 L175 C197 | M125-T129 WeakPolarHBondContact O-CB 3.47Å; M125-T129 PolarHBondContact O-N 2.85Å; M125-T129 PolarHBondContact O-OG1 3.22Å; Y126-T129 PolarHBondContact O-N 2.9Å; Y126-T129 VanDerWaalsContact O-N 3.1Å; T129-F166 HydrophobicContact CG2-CB 3.85Å; T129-F166 HydrophobicContact CG2-CD1 4.17Å; T129-F166 HydrophobicContact CG2-CG 4.46Å; T129-A167 CarbonylContact C-O 3.59Å; T129-A167 WeakPolarHBondContact CA-O 3.4Å; T129-L175 VanDerWaalsContact C-CD1 3.48Å; T129-C197 WeakPolarHBondContact CG2-SG 3.5Å; T129-C197 VanDerWaalsContact O-CB 3.28Å; T129-C197 WeakPolarHBondContact O-CB 3.36Å; T129-C197 PolarHBondContact O-N 3.16Å; T129-C197 PolarHBondContact O-SG 3.01Å; T129-C197 VanDerWaalsContact O-SG 3.4Å |
| 130 | L | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.9 | 175.6 | -166.5 | 70.6 | 0 | 0 | 0 | 110.1 | F148 F166 A167 F169 L175 Q179 T194 | L130-F148 HydrophobicContact CD2-CE1 3.73Å; L130-F148 HydrophobicContact CD2-CZ 4.01Å; L130-F166 CarbonylContact O-C 3.6Å; L130-F166 VanDerWaalsContact O-CA 3.31Å; L130-F166 WeakPolarHBondContact O-CA 3.24Å; L130-A167 PolarHBondContact N-O 3.29Å; L130-A167 PolarHBondContact O-N 3.13Å; L130-F169 HydrophobicContact CB-CD2 4.46Å; L130-F169 HydrophobicContact CB-CE2 3.78Å; L130-F169 HydrophobicContact CD2-CE2 4.18Å; L130-L175 HydrophobicContact CB-CD1 4.17Å; L130-L175 HydrophobicContact CB-CG 4.25Å; L130-L175 HydrophobicContact CD1-CD2 4Å; L130-L175 HydrophobicContact CD1-CG 4.32Å; L130-Q179 HydrophobicContact CD1-CB 4.23Å; L130-Q179 HydrophobicContact CD1-CG 4.12Å; L130-T194 HydrophobicContact CD2-CG2 3.85Å; L130-T194 HydrophobicContact CG-CG2 4.41Å |
| 131 | T | 90.4 | Very high | 88.1 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136.4 | 167.4 | 69.1 | 0 | 0 | 0 | 0 | 110.2 | A165 F166 T194 E195 C197 | T131-A165 WeakPolarHBondContact CA-O 3.12Å; T131-F166 HydrophobicContact CG2-CD1 3.8Å; T131-F166 HydrophobicContact CG2-CE1 3.62Å; T131-T194 WeakPolarHBondContact O-CA 3.46Å; T131-E195 WeakPolarHBondContact CA-O 3.48Å; T131-E195 PolarHBondContact N-O 3.15Å; T131-E195 PolarHBondContact O-N 3.04Å; T131-E195 WeakPolarHBondContact OG1-CB 3.28Å; T131-E195 PolarHBondContact OG1-O 3.2Å; T131-C197 HydrophobicContact CG2-CB 4.29Å; T131-C197 WeakPolarHBondContact CG2-SG 3.24Å |
| 132 | I | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.4 | -176 | -55.9 | 155.6 | 0 | 0 | 0 | 108.2 | L135 I144 F148 F164 A165 A167 I192 T194 | I132-L135 HydrophobicContact CG2-CD2 3.88Å; I132-I144 HydrophobicContact CD1-CG2 3.67Å; I132-F148 HydrophobicContact CD1-CD2 3.69Å; I132-F148 HydrophobicContact CD1-CE2 3.26Å; I132-F148 HydrophobicContact CD1-CZ 3.97Å; I132-F148 HydrophobicContact CG1-CE2 3.72Å; I132-F148 HydrophobicContact CG1-CZ 3.97Å; I132-F148 HydrophobicContact CG2-CE2 4.32Å; I132-F164 CarbonylContact O-C 3.57Å; I132-F164 WeakPolarHBondContact O-CA 3.44Å; I132-F164 WeakPolarHBondContact O-CB 3.46Å; I132-A165 PolarHBondContact N-O 2.95Å; I132-A165 PolarHBondContact O-N 2.87Å; I132-A167 HydrophobicContact CD1-CB 3.75Å; I132-I192 HydrophobicContact CG2-CG2 3.59Å; I132-T194 HydrophobicContact CG1-CG2 4.41Å |
| 133 | R | 88.2 | Confident | 87.7 | Confident | 52 Ų | 52 | 43.6 Ų | 43.6 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 154.9 | -179.9 | -55.8 | -162.5 | 178.2 | 112 | 0.3 | 110.5 | F164 I192 K193 E195 | R133-F164 HydrophobicContact CG-CB 3.56Å; R133-I192 CarbonylContact O-C 3.57Å; R133-K193 PolarHBondContact N-O 3.26Å; R133-K193 CarbonylContact O-C 3.51Å; R133-K193 VanDerWaalsContact O-CA 3.31Å; R133-K193 WeakPolarHBondContact O-CA 3.32Å; R133-K193 WeakPolarHBondContact O-CB 3.47Å; R133-K193 PolarHBondContact O-N 3.4Å; R133-E195 IonicContact NH1-OE2 2.69Å |
| 134 | P | 87.4 | Confident | 87.7 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | cis | -78.2 | 143.9 | -19.4 | 32.9 | -30.2 | 0 | 0 | 0 | 110.6 | K190 E191 | P134-K190 HydrophobicContact CG-CB 3.88Å; P134-K190 HydrophobicContact CG-CD 4.08Å; P134-E191 VanDerWaalsContact CD-O 3.24Å; P134-E191 WeakPolarHBondContact CD-O 3.35Å |
| 135 | L | 85.8 | Confident | 87.6 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -100.9 | 150 | 169.3 | -64.8 | -176.3 | 0 | 0 | 0 | 112.2 | I132 C139 I144 R163 A165 L187 | I132-L135 HydrophobicContact CG2-CD2 3.88Å; L135-C139 HydrophobicContact CB-CB 4.24Å; L135-I144 HydrophobicContact CD1-CD1 3.61Å; L135-I144 HydrophobicContact CD2-CD1 4.48Å; L135-R163 PolarHBondContact N-O 3.46Å; L135-A165 HydrophobicContact CD1-CB 3.36Å; L135-L187 HydrophobicContact CD2-CD2 3.49Å; L135-L187 VanDerWaalsContact CD2-CD2 3.49Å |
| 136 | P | 83.3 | Confident | 87.6 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 150.7 | 165.9 | -23.4 | 33.1 | 0 | 0 | 0 | 111.6 | N138 C139 L187 N188 | P136-N138 PolarHBondContact O-N 3.27Å; P136-C139 HydrophobicContact CB-CB 4.36Å; P136-C139 HydrophobicContact CG-CB 4.49Å; P136-C139 PolarHBondContact O-N 2.97Å; P136-L187 VanDerWaalsContact CD-CD2 3.5Å; P136-L187 HydrophobicContact CG-CD2 4.21Å; P136-L187 HydrophobicContact CG-CG 4.1Å; P136-N188 HydrophobicContact CG-CB 4.29Å |
| 137 | R | 78.9 | Confident | 87.7 | Confident | 213 Ų | 213 | 46.1 Ų | 46.1 | 80% | 0.804 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.6 | 179.1 | -70.9 | -174.5 | -178.6 | -131.8 | 5.1 | 112.7 | ||
| 138 | N | 80.1 | Confident | 87.7 | Confident | 135 Ų | 135 | 41.8 Ų | 41.8 | 72% | 0.722 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | 58.1 | 179.1 | -164.3 | 20.4 | 0 | 0 | 0 | 110.4 | P136 P140 Y386 | P136-N138 PolarHBondContact O-N 3.27Å; N138-P140 WeakPolarHBondContact O-CD 3.49Å; N138-Y386 PolarHBondContact O-OH 3.02Å |
| 139 | C | 82.8 | Confident | 87.7 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 10% | 0.095 | 24% | 0.24 | C | C | . | . | trans | -81.2 | 115.6 | 175.8 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | L135 P136 I156 | L135-C139 HydrophobicContact CB-CB 4.24Å; P136-C139 HydrophobicContact CB-CB 4.36Å; P136-C139 HydrophobicContact CG-CB 4.49Å; P136-C139 PolarHBondContact O-N 2.97Å; C139-I156 HydrophobicContact CB-CD1 4.47Å; C139-I156 WeakPolarHBondContact O-CD1 3.33Å | ||
| 140 | P | 85.7 | Confident | 87.7 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | trans | -70.6 | 149.9 | 175.2 | 31.3 | -34.2 | 0 | 0 | 0 | 110.1 | N138 S142 L143 | N138-P140 WeakPolarHBondContact O-CD 3.49Å; P140-S142 PolarHBondContact O-N 3.01Å; P140-L143 HydrophobicContact CG-CB 3.88Å; P140-L143 PolarHBondContact O-N 3.46Å | ||
| 141 | V | 86.5 | Confident | 87.7 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.6 | -26 | -180 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | I144 K145 V154 I156 R233 | V141-I144 PolarHBondContact O-N 2.85Å; V141-K145 PolarHBondContact O-N 3.33Å; V141-K145 VanDerWaalsContact O-N 3.07Å; V141-V154 HydrophobicContact CG1-CB 3.88Å; V141-V154 HydrophobicContact CG1-CG1 3.89Å; V141-I156 HydrophobicContact CG2-CD1 3.64Å; V141-I156 HydrophobicContact CG2-CG1 3.92Å; V141-R233 VanDerWaalsContact CG1-NH2 3.34Å |
| 142 | S | 87.2 | Confident | 87.6 | Confident | 70 Ų | 70 | 49 Ų | 49 | 49% | 0.49 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.3 | -48.8 | 173.2 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | P140 I144 K145 D146 | P140-S142 PolarHBondContact O-N 3.01Å; S142-I144 PolarHBondContact O-N 3.45Å; S142-K145 CarbonylContact O-C 3.48Å; S142-K145 WeakPolarHBondContact O-CA 3.42Å; S142-K145 WeakPolarHBondContact O-CB 3.5Å; S142-K145 PolarHBondContact O-N 3.29Å; S142-D146 PolarHBondContact O-N 2.92Å |
| 143 | L | 88.7 | Confident | 87.6 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -37 | -179.8 | -176.9 | 62.1 | 0 | 0 | 0 | 112.6 | P140 D146 L147 L187 Y386 | P140-L143 HydrophobicContact CG-CB 3.88Å; P140-L143 PolarHBondContact O-N 3.46Å; L143-D146 PolarHBondContact O-N 2.73Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 3.33Å; L143-L147 VanDerWaalsContact O-N 3.08Å; L143-L187 HydrophobicContact CD2-CD1 3.8Å; L143-L187 HydrophobicContact CG-CD1 4.43Å; L143-Y386 HydrophobicContact CD2-CD1 4.14Å; L143-Y386 HydrophobicContact CD2-CD2 4.47Å; L143-Y386 HydrophobicContact CD2-CE1 4.48Å; L143-Y386 HydrophobicContact CD2-CG 4.14Å |
| 144 | I | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.8 | -37.1 | 176.4 | -55.2 | 179.5 | 0 | 0 | 0 | 111.1 | I132 L135 V141 S142 D146 L147 F148 V154 I156 A165 | I132-I144 HydrophobicContact CD1-CG2 3.67Å; L135-I144 HydrophobicContact CD1-CD1 3.61Å; L135-I144 HydrophobicContact CD2-CD1 4.48Å; V141-I144 PolarHBondContact O-N 2.85Å; S142-I144 PolarHBondContact O-N 3.45Å; I144-D146 VanDerWaalsContact C-N 3.28Å; I144-D146 PolarHBondContact O-N 3.43Å; I144-L147 PolarHBondContact O-N 3.36Å; I144-F148 HydrophobicContact CG2-CD2 3.9Å; I144-F148 HydrophobicContact CG2-CE2 4.42Å; I144-F148 WeakPolarHBondContact O-CD2 3.34Å; I144-F148 PolarHBondContact O-N 3.07Å; I144-V154 HydrophobicContact CB-CG1 3.82Å; I144-V154 HydrophobicContact CD1-CG1 4.06Å; I144-V154 HydrophobicContact CG2-CB 4.45Å; I144-V154 HydrophobicContact CG2-CG1 3.49Å; I144-V154 VanDerWaalsContact CG2-CG1 3.49Å; I144-V154 HydrophobicContact CG2-CG2 4.09Å; I144-I156 HydrophobicContact CD1-CD1 3.54Å; I144-I156 HydrophobicContact CD1-CG1 3.76Å; I144-A165 HydrophobicContact CD1-CB 3.5Å; I144-A165 VanDerWaalsContact CD1-CB 3.5Å |
| 145 | K | 89.9 | Confident | 87.6 | Confident | 75 Ų | 75 | 49.9 Ų | 49.9 | 33% | 0.326 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 173.2 | -73.9 | -170.9 | 167.9 | -151.4 | 0 | 111.9 | V141 S142 F148 P149 V154 | V141-K145 PolarHBondContact O-N 3.33Å; V141-K145 VanDerWaalsContact O-N 3.07Å; S142-K145 CarbonylContact O-C 3.48Å; S142-K145 WeakPolarHBondContact O-CA 3.42Å; S142-K145 WeakPolarHBondContact O-CB 3.5Å; S142-K145 PolarHBondContact O-N 3.29Å; K145-F148 CarbonylContact O-C 3.56Å; K145-F148 PolarHBondContact O-N 3.09Å; K145-P149 WeakPolarHBondContact O-CA 3.4Å; K145-P149 VanDerWaalsContact O-N 3.12Å; K145-V154 HydrophobicContact CG-CB 4.44Å; K145-V154 HydrophobicContact CG-CG2 3.94Å |
| 146 | D | 90.1 | Very high | 87.6 | Confident | 117 Ų | 117 | 51 Ų | 51 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.3 | -36.5 | 176.1 | -59 | -25.7 | 0 | 0 | 0 | 111.4 | S142 L143 I144 | S142-D146 PolarHBondContact O-N 2.92Å; L143-D146 PolarHBondContact O-N 2.73Å; I144-D146 VanDerWaalsContact C-N 3.28Å; I144-D146 PolarHBondContact O-N 3.43Å |
| 147 | L | 90.1 | Very high | 87.6 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 172.1 | -72.4 | 169.3 | 0 | 0 | 0 | 112.8 | L143 I144 P149 I192 L388 | L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 3.33Å; L143-L147 VanDerWaalsContact O-N 3.08Å; I144-L147 PolarHBondContact O-N 3.36Å; L147-P149 VanDerWaalsContact C-CD 3.5Å; L147-P149 WeakPolarHBondContact O-CD 3.38Å; L147-I192 HydrophobicContact CD1-CD1 3.95Å; L147-I192 HydrophobicContact CD2-CD1 4.3Å; L147-L388 HydrophobicContact CD2-CD1 4.03Å; L147-L388 HydrophobicContact CD2-CD2 4.19Å |
| 148 | F | 92 | Very high | 87.2 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | trans | -126.2 | 71.2 | -176.9 | -61.3 | -76.4 | 0 | 0 | 0 | 111.1 | L130 I132 I144 K145 S150 S151 F169 A178 V182 T194 | L130-F148 HydrophobicContact CD2-CE1 3.73Å; L130-F148 HydrophobicContact CD2-CZ 4.01Å; I132-F148 HydrophobicContact CD1-CD2 3.69Å; I132-F148 HydrophobicContact CD1-CE2 3.26Å; I132-F148 HydrophobicContact CD1-CZ 3.97Å; I132-F148 HydrophobicContact CG1-CE2 3.72Å; I132-F148 HydrophobicContact CG1-CZ 3.97Å; I132-F148 HydrophobicContact CG2-CE2 4.32Å; I144-F148 HydrophobicContact CG2-CD2 3.9Å; I144-F148 HydrophobicContact CG2-CE2 4.42Å; I144-F148 WeakPolarHBondContact O-CD2 3.34Å; I144-F148 PolarHBondContact O-N 3.07Å; K145-F148 CarbonylContact O-C 3.56Å; K145-F148 PolarHBondContact O-N 3.09Å; F148-S150 PolarHBondContact O-N 3.42Å; F148-S151 VanDerWaalsContact O-CB 3.24Å; F148-S151 WeakPolarHBondContact O-CB 3.31Å; F148-S151 PolarHBondContact O-N 2.75Å; F148-S151 PolarHBondContact O-OG 3.21Å; F148-F169 HydrophobicContact CB-CE1 4.45Å; F148-F169 HydrophobicContact CB-CZ 4.18Å; F148-F169 HydrophobicContact CD1-CE1 4.43Å; F148-F169 AromaticContact CD1-CZ 3.75Å; F148-F169 HydrophobicContact CD1-CZ 3.75Å; F148-F169 HydrophobicContact CE1-CZ 4.46Å; F148-F169 HydrophobicContact CG-CZ 4.2Å; F148-A178 HydrophobicContact CD1-CB 3.95Å; F148-A178 HydrophobicContact CE1-CB 4.27Å; F148-V182 HydrophobicContact CD1-CG2 4.04Å; F148-V182 HydrophobicContact CE1-CB 3.98Å; F148-V182 HydrophobicContact CE1-CG1 4.42Å; F148-V182 HydrophobicContact CE1-CG2 3.41Å; F148-V182 VanDerWaalsContact CE1-CG2 3.41Å; F148-V182 HydrophobicContact CE2-CG2 4.44Å; F148-V182 HydrophobicContact CZ-CB 3.95Å; F148-V182 HydrophobicContact CZ-CG1 3.88Å; F148-V182 HydrophobicContact CZ-CG2 3.65Å; F148-T194 HydrophobicContact CZ-CG2 3.86Å | ||
| 149 | P | 91 | Very high | 86.7 | Confident | 112 Ų | 112 | 47.8 Ų | 47.8 | 73% | 0.727 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.6 | -175.3 | 25.1 | -34.6 | 0 | 0 | 0 | 113.1 | K145 L147 S151 | K145-P149 WeakPolarHBondContact O-CA 3.4Å; K145-P149 VanDerWaalsContact O-N 3.12Å; L147-P149 VanDerWaalsContact C-CD 3.5Å; L147-P149 WeakPolarHBondContact O-CD 3.38Å; P149-S151 VanDerWaalsContact C-N 3.26Å; P149-S151 PolarHBondContact O-N 3.35Å |
| 150 | S | 91.3 | Very high | 85.2 | Confident | 53 Ų | 53 | 52.9 Ų | 52.9 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7 | 173.6 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | F148 V152 F169 | F148-S150 PolarHBondContact O-N 3.42Å; S150-V152 PolarHBondContact O-N 2.81Å; S150-F169 WeakPolarHBondContact OG-CE1 3.29Å |
| 151 | S | 91.7 | Very high | 84.1 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 12% | 0.119 | 30% | 0.304 | C | S | . | . | trans | -68.2 | 133 | 179.4 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | F148 P149 V154 K168 | F148-S151 VanDerWaalsContact O-CB 3.24Å; F148-S151 WeakPolarHBondContact O-CB 3.31Å; F148-S151 PolarHBondContact O-N 2.75Å; F148-S151 PolarHBondContact O-OG 3.21Å; P149-S151 VanDerWaalsContact C-N 3.26Å; P149-S151 PolarHBondContact O-N 3.35Å; S151-V154 WeakPolarHBondContact OG-CG2 3.42Å; S151-K168 CarbonylContact C-O 3.04Å; S151-K168 WeakPolarHBondContact CA-O 3.24Å | ||
| 152 | V | 89.2 | Confident | 83.4 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -74 | -46.4 | 174 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | S150 K168 R170 E289 | S150-V152 PolarHBondContact O-N 2.81Å; V152-K168 HydrophobicContact CB-CD 3.84Å; V152-K168 HydrophobicContact CG1-CD 4.33Å; V152-K168 HydrophobicContact CG2-CD 4.22Å; V152-K168 PolarHBondContact N-O 2.94Å; V152-R170 HydrophobicContact CG2-CB 4.43Å; V152-R170 HydrophobicContact CG2-CG 3.38Å; V152-E289 HydrophobicContact CG1-CB 3.8Å; V152-E289 HydrophobicContact CG1-CG 3.74Å |
| 153 | N | 89.1 | Confident | 83.2 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 140.3 | -173.8 | -161.7 | -94.1 | 0 | 0 | 0 | 111 | A167 K168 H230 L231 | N153-A167 WeakPolarHBondContact O-CA 3.47Å; N153-K168 HydrophobicContact CB-CB 4.37Å; N153-K168 PolarHBondContact N-O 2.64Å; N153-K168 PolarHBondContact O-N 3.45Å; N153-H230 HydrophobicContact CB-CB 4.28Å; N153-L231 PolarHBondContact ND2-O 3.4Å |
| 154 | V | 90.2 | Very high | 83.2 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | V141 I144 K145 S151 F166 A167 | V141-V154 HydrophobicContact CG1-CB 3.88Å; V141-V154 HydrophobicContact CG1-CG1 3.89Å; I144-V154 HydrophobicContact CB-CG1 3.82Å; I144-V154 HydrophobicContact CD1-CG1 4.06Å; I144-V154 HydrophobicContact CG2-CB 4.45Å; I144-V154 HydrophobicContact CG2-CG1 3.49Å; I144-V154 VanDerWaalsContact CG2-CG1 3.49Å; I144-V154 HydrophobicContact CG2-CG2 4.09Å; K145-V154 HydrophobicContact CG-CB 4.44Å; K145-V154 HydrophobicContact CG-CG2 3.94Å; S151-V154 WeakPolarHBondContact OG-CG2 3.42Å; V154-F166 CarbonylContact C-O 3.54Å; V154-F166 WeakPolarHBondContact CA-O 3.23Å; V154-A167 HydrophobicContact CG2-CB 4.28Å |
| 155 | R | 86.5 | Confident | 83.2 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 29% | 0.291 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.5 | -179.2 | -178.4 | -177.7 | 173.5 | -147.4 | 1.9 | 111.2 | A165 F166 | R155-A165 WeakPolarHBondContact O-CA 3.37Å; R155-F166 PolarHBondContact N-O 3.14Å; R155-F166 PolarHBondContact O-N 3.34Å |
| 156 | I | 86.7 | Confident | 83.2 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | trans | -108.2 | 117.9 | 170 | -52.3 | -179.2 | 0 | 0 | 0 | 107.8 | C139 V141 I144 Q158 A165 | C139-I156 HydrophobicContact CB-CD1 4.47Å; C139-I156 WeakPolarHBondContact O-CD1 3.33Å; V141-I156 HydrophobicContact CG2-CD1 3.64Å; V141-I156 HydrophobicContact CG2-CG1 3.92Å; I144-I156 HydrophobicContact CD1-CD1 3.54Å; I144-I156 HydrophobicContact CD1-CG1 3.76Å; I156-Q158 PolarHBondContact O-N 2.84Å; I156-A165 HydrophobicContact CG1-CB 3.93Å | ||
| 157 | P | 81.4 | Confident | 83.3 | Confident | 24 Ų | 24 | 53 Ų | 53 | 16% | 0.156 | 28% | 0.275 | C | S | . | . | trans | -61.9 | 129.4 | 173.1 | -22 | 34.8 | 0 | 0 | 0 | 110.5 | K159 S162 F164 F166 | P157-K159 VanDerWaalsContact C-N 3.28Å; P157-K159 PolarHBondContact O-N 3.21Å; P157-S162 WeakPolarHBondContact O-CB 3.48Å; P157-S162 PolarHBondContact O-OG 2.93Å; P157-S162 VanDerWaalsContact O-OG 3.07Å; P157-F164 WeakPolarHBondContact CD-O 3.32Å; P157-F164 HydrophobicContact CG-CD2 4.3Å; P157-F164 HydrophobicContact CG-CE2 3.69Å; P157-F164 HydrophobicContact CG-CZ 4.02Å; P157-F166 HydrophobicContact CG-CD2 4.16Å; P157-F166 HydrophobicContact CG-CE2 3.74Å | ||
| 158 | Q | 71 | Confident | 83.4 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | trans | -85.2 | 9.6 | -178.6 | -79.1 | -165.4 | -23.4 | 0 | 0 | 114.5 | I156 C160 | I156-Q158 PolarHBondContact O-N 2.84Å; Q158-C160 PolarHBondContact O-N 3.1Å | ||
| 159 | K | 69.8 | Low | 83.4 | Confident | 178 Ų | 178 | 52.4 Ų | 52.4 | 77% | 0.774 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -59.2 | 131.2 | 169.7 | -70.4 | -175.4 | 179.6 | -179.2 | 0 | 106.8 | P157 N161 S162 | P157-K159 VanDerWaalsContact C-N 3.28Å; P157-K159 PolarHBondContact O-N 3.21Å; K159-N161 PolarHBondContact O-N 2.7Å; K159-S162 WeakPolarHBondContact O-CB 3.22Å; K159-S162 PolarHBondContact O-N 3.33Å; K159-S162 PolarHBondContact O-OG 2.76Å |
| 160 | C | 50.8 | Low | 83.4 | Confident | 122 Ų | 122 | 55 Ų | 55 | 82% | 0.824 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 1.9 | -160.4 | 53 | 0 | 0 | 0 | 0 | 117.5 | Q158 | Q158-C160 PolarHBondContact O-N 3.1Š|
| 161 | N | 63.6 | Low | 83.4 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.9 | 24.6 | 177 | -70.8 | -43.2 | 0 | 0 | 0 | 112.6 | K159 R163 | K159-N161 PolarHBondContact O-N 2.7Å; N161-R163 PolarHBondContact O-N 2.78Å |
| 162 | S | 70.6 | Confident | 83.4 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | trans | -74.2 | 95.8 | -177.3 | -54 | 0 | 0 | 0 | 0 | 110.2 | P157 K159 F164 | P157-S162 WeakPolarHBondContact O-CB 3.48Å; P157-S162 PolarHBondContact O-OG 2.93Å; P157-S162 VanDerWaalsContact O-OG 3.07Å; K159-S162 WeakPolarHBondContact O-CB 3.22Å; K159-S162 PolarHBondContact O-N 3.33Å; K159-S162 PolarHBondContact O-OG 2.76Å; S162-F164 PolarHBondContact O-N 3.37Å | ||
| 163 | R | 84.6 | Confident | 83.6 | Confident | 122 Ų | 122 | 64.6 Ų | 64.6 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | trans | -85.8 | 35 | 176.3 | -53.6 | -154.1 | -57.8 | 128.5 | -1.4 | 112.4 | L135 N161 | L135-R163 PolarHBondContact N-O 3.46Å; N161-R163 PolarHBondContact O-N 2.78Å | ||
| 164 | F | 87.4 | Confident | 83.9 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | trans | -151.6 | 155.3 | -176.1 | 66.5 | -85.4 | 0 | 0 | 0 | 112.1 | I132 R133 P157 S162 F166 | I132-F164 CarbonylContact O-C 3.57Å; I132-F164 WeakPolarHBondContact O-CA 3.44Å; I132-F164 WeakPolarHBondContact O-CB 3.46Å; R133-F164 HydrophobicContact CG-CB 3.56Å; P157-F164 WeakPolarHBondContact CD-O 3.32Å; P157-F164 HydrophobicContact CG-CD2 4.3Å; P157-F164 HydrophobicContact CG-CE2 3.69Å; P157-F164 HydrophobicContact CG-CZ 4.02Å; S162-F164 PolarHBondContact O-N 3.37Å; F164-F166 AromaticContact CD2-CE2 3.97Å; F164-F166 HydrophobicContact CD2-CE2 3.97Å; F164-F166 AromaticContact CD2-CZ 3.97Å; F164-F166 HydrophobicContact CD2-CZ 3.97Å; F164-F166 AromaticContact CE2-CE2 3.56Å; F164-F166 HydrophobicContact CE2-CE2 3.56Å; F164-F166 AromaticContact CE2-CZ 3.58Å; F164-F166 HydrophobicContact CE2-CZ 3.58Å | ||
| 165 | A | 90.2 | Very high | 84 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 168.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T131 I132 L135 I144 R155 I156 | T131-A165 WeakPolarHBondContact CA-O 3.12Å; I132-A165 PolarHBondContact N-O 2.95Å; I132-A165 PolarHBondContact O-N 2.87Å; L135-A165 HydrophobicContact CD1-CB 3.36Å; I144-A165 HydrophobicContact CD1-CB 3.5Å; I144-A165 VanDerWaalsContact CD1-CB 3.5Å; R155-A165 WeakPolarHBondContact O-CA 3.37Å; I156-A165 HydrophobicContact CG1-CB 3.93Å |
| 166 | F | 90.1 | Very high | 84.3 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.3 | 173.1 | -58.8 | -78.2 | 0 | 0 | 0 | 109 | T129 L130 T131 V154 R155 P157 F164 C197 | T129-F166 HydrophobicContact CG2-CB 3.85Å; T129-F166 HydrophobicContact CG2-CD1 4.17Å; T129-F166 HydrophobicContact CG2-CG 4.46Å; L130-F166 CarbonylContact O-C 3.6Å; L130-F166 VanDerWaalsContact O-CA 3.31Å; L130-F166 WeakPolarHBondContact O-CA 3.24Å; T131-F166 HydrophobicContact CG2-CD1 3.8Å; T131-F166 HydrophobicContact CG2-CE1 3.62Å; V154-F166 CarbonylContact C-O 3.54Å; V154-F166 WeakPolarHBondContact CA-O 3.23Å; R155-F166 PolarHBondContact N-O 3.14Å; R155-F166 PolarHBondContact O-N 3.34Å; P157-F166 HydrophobicContact CG-CD2 4.16Å; P157-F166 HydrophobicContact CG-CE2 3.74Å; F164-F166 AromaticContact CD2-CE2 3.97Å; F164-F166 HydrophobicContact CD2-CE2 3.97Å; F164-F166 AromaticContact CD2-CZ 3.97Å; F164-F166 HydrophobicContact CD2-CZ 3.97Å; F164-F166 AromaticContact CE2-CE2 3.56Å; F164-F166 HydrophobicContact CE2-CE2 3.56Å; F164-F166 AromaticContact CE2-CZ 3.58Å; F164-F166 HydrophobicContact CE2-CZ 3.58Å; F166-C197 VanDerWaalsContact CD1-SG 3.55Å |
| 167 | A | 92.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | T129 L130 I132 N153 V154 F169 | T129-A167 CarbonylContact C-O 3.59Å; T129-A167 WeakPolarHBondContact CA-O 3.4Å; L130-A167 PolarHBondContact N-O 3.29Å; L130-A167 PolarHBondContact O-N 3.13Å; I132-A167 HydrophobicContact CD1-CB 3.75Å; N153-A167 WeakPolarHBondContact O-CA 3.47Å; V154-A167 HydrophobicContact CG2-CB 4.28Å; A167-F169 HydrophobicContact CB-CE2 3.98Å; A167-F169 HydrophobicContact CB-CZ 4.22Å |
| 168 | K | 91.5 | Very high | 85.2 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135.3 | 178.1 | -179.7 | -102.6 | -174.2 | 172.6 | 0 | 110.2 | H128 S151 V152 N153 S290 | H128-K168 CarbonylContact O-C 3.56Å; H128-K168 WeakPolarHBondContact O-CA 3.37Å; S151-K168 CarbonylContact C-O 3.04Å; S151-K168 WeakPolarHBondContact CA-O 3.24Å; V152-K168 HydrophobicContact CB-CD 3.84Å; V152-K168 HydrophobicContact CG1-CD 4.33Å; V152-K168 HydrophobicContact CG2-CD 4.22Å; V152-K168 PolarHBondContact N-O 2.94Å; N153-K168 HydrophobicContact CB-CB 4.37Å; N153-K168 PolarHBondContact N-O 2.64Å; N153-K168 PolarHBondContact O-N 3.45Å; K168-S290 PolarHBondContact NZ-OG 3.19Å |
| 169 | F | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -109.4 | 168.6 | 177.1 | -63.2 | -87.7 | 0 | 0 | 0 | 110.3 | H128 L130 F148 S150 A167 E174 L175 A178 | H128-F169 PolarHBondContact O-N 3.45Å; L130-F169 HydrophobicContact CB-CD2 4.46Å; L130-F169 HydrophobicContact CB-CE2 3.78Å; L130-F169 HydrophobicContact CD2-CE2 4.18Å; F148-F169 HydrophobicContact CB-CE1 4.45Å; F148-F169 HydrophobicContact CB-CZ 4.18Å; F148-F169 HydrophobicContact CD1-CE1 4.43Å; F148-F169 AromaticContact CD1-CZ 3.75Å; F148-F169 HydrophobicContact CD1-CZ 3.75Å; F148-F169 HydrophobicContact CE1-CZ 4.46Å; F148-F169 HydrophobicContact CG-CZ 4.2Å; S150-F169 WeakPolarHBondContact OG-CE1 3.29Å; A167-F169 HydrophobicContact CB-CE2 3.98Å; A167-F169 HydrophobicContact CB-CZ 4.22Å; F169-E174 HydrophobicContact CB-CB 4.18Å; F169-E174 HydrophobicContact CD1-CB 4.31Å; F169-L175 HydrophobicContact CB-CB 4.02Å; F169-L175 HydrophobicContact CD2-CB 3.72Å; F169-L175 HydrophobicContact CD2-CD1 3.93Å; F169-L175 HydrophobicContact CD2-CG 3.79Å; F169-L175 HydrophobicContact CE2-CB 4.47Å; F169-L175 HydrophobicContact CE2-CG 4.24Å; F169-L175 HydrophobicContact CG-CB 3.94Å; F169-A178 HydrophobicContact CD1-CB 4.19Å; F169-A178 HydrophobicContact CE1-CB 3.36Å; F169-A178 HydrophobicContact CE2-CB 4.26Å; F169-A178 HydrophobicContact CZ-CB 3.41Å; F169-A178 VanDerWaalsContact CZ-CB 3.41Å | ||
| 170 | R | 90.7 | Very high | 87.3 | Confident | 165 Ų | 165 | 62.1 Ų | 62.1 | 62% | 0.623 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -71.6 | -47.3 | 178.8 | -64.1 | 177.1 | 171.5 | 165.1 | -2.2 | 110.5 | V152 E174 | V152-R170 HydrophobicContact CG2-CB 4.43Å; V152-R170 HydrophobicContact CG2-CG 3.38Å; R170-E174 WeakPolarHBondContact CB-OE2 3.48Å; R170-E174 PolarHBondContact N-OE2 3.48Å |
| 171 | N | 91.6 | Very high | 89.3 | Confident | 89 Ų | 89 | 59.9 Ų | 59.9 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -132.3 | 162.7 | -174.9 | -60.4 | 3.2 | 0 | 0 | 0 | 110.2 | D173 E174 L175 | N171-D173 VanDerWaalsContact C-N 3.29Å; N171-D173 PolarHBondContact O-N 2.82Å; N171-E174 PolarHBondContact O-N 2.98Å; N171-L175 PolarHBondContact O-N 2.87Å |
| 172 | H | 91.2 | Very high | 90.5 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 175.3 | -173.7 | 66.9 | 0 | 0 | 0 | 112.9 | Q127 E174 L175 V176 | Q127-H172 PolarHBondContact O-ND1 2.8Å; H172-E174 PolarHBondContact O-N 3.3Å; H172-L175 WeakPolarHBondContact O-CB 2.95Å; H172-L175 PolarHBondContact O-N 2.84Å; H172-L175 VanDerWaalsContact O-N 3.14Å; H172-V176 WeakPolarHBondContact O-CG2 2.81Å; H172-V176 PolarHBondContact O-N 3.38Å |
| 173 | D | 93.4 | Very high | 91.2 | Very high | 123 Ų | 123 | 58 Ų | 58 | 66% | 0.658 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | -179.6 | -58.5 | -38.8 | 0 | 0 | 0 | 112.8 | N171 L175 V176 A177 | N171-D173 VanDerWaalsContact C-N 3.29Å; N171-D173 PolarHBondContact O-N 2.82Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 2.98Å; D173-V176 PolarHBondContact O-N 3.23Å; D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 3.39Å |
| 174 | E | 94.1 | Very high | 91 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 175.2 | -71.5 | -176.2 | 178.9 | 0 | 0 | 111.3 | F169 R170 N171 H172 A178 | F169-E174 HydrophobicContact CB-CB 4.18Å; F169-E174 HydrophobicContact CD1-CB 4.31Å; R170-E174 WeakPolarHBondContact CB-OE2 3.48Å; R170-E174 PolarHBondContact N-OE2 3.48Å; N171-E174 PolarHBondContact O-N 2.98Å; H172-E174 PolarHBondContact O-N 3.3Å; E174-A178 VanDerWaalsContact O-CB 3.22Å; E174-A178 WeakPolarHBondContact O-CB 2.73Å; E174-A178 PolarHBondContact O-N 3.44Å |
| 175 | L | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 176.3 | -177.9 | 153.6 | 0 | 0 | 0 | 111.1 | Q127 T129 L130 F169 N171 H172 D173 A177 A178 Q179 I196 | Q127-L175 WeakPolarHBondContact O-CD1 3.39Å; T129-L175 VanDerWaalsContact C-CD1 3.48Å; L130-L175 HydrophobicContact CB-CD1 4.17Å; L130-L175 HydrophobicContact CB-CG 4.25Å; L130-L175 HydrophobicContact CD1-CD2 4Å; L130-L175 HydrophobicContact CD1-CG 4.32Å; F169-L175 HydrophobicContact CB-CB 4.02Å; F169-L175 HydrophobicContact CD2-CB 3.72Å; F169-L175 HydrophobicContact CD2-CD1 3.93Å; F169-L175 HydrophobicContact CD2-CG 3.79Å; F169-L175 HydrophobicContact CE2-CB 4.47Å; F169-L175 HydrophobicContact CE2-CG 4.24Å; F169-L175 HydrophobicContact CG-CB 3.94Å; N171-L175 PolarHBondContact O-N 2.87Å; H172-L175 WeakPolarHBondContact O-CB 2.95Å; H172-L175 PolarHBondContact O-N 2.84Å; H172-L175 VanDerWaalsContact O-N 3.14Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 2.98Å; L175-A177 VanDerWaalsContact C-N 3.35Å; L175-A178 PolarHBondContact O-N 2.92Å; L175-Q179 WeakPolarHBondContact O-CB 3.35Å; L175-Q179 PolarHBondContact O-N 3.47Å; L175-I196 HydrophobicContact CD1-CG2 4.48Å; L175-I196 HydrophobicContact CD2-CB 4.46Å; L175-I196 HydrophobicContact CD2-CD1 3.74Å; L175-I196 HydrophobicContact CD2-CG1 3.72Å; L175-I196 HydrophobicContact CD2-CG2 4.31Å |
| 176 | V | 93 | Very high | 90.8 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 22% | 0.218 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | H172 D173 Q179 K180 | H172-V176 WeakPolarHBondContact O-CG2 2.81Å; H172-V176 PolarHBondContact O-N 3.38Å; D173-V176 PolarHBondContact O-N 3.23Å; V176-Q179 PolarHBondContact O-N 3.27Å; V176-K180 HydrophobicContact CG1-CD 4.28Å; V176-K180 WeakPolarHBondContact O-CG 3.21Å; V176-K180 PolarHBondContact O-N 3.07Å |
| 177 | A | 94 | Very high | 90.4 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 49% | 0.488 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D173 L175 K180 S181 | D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 3.39Å; L175-A177 VanDerWaalsContact C-N 3.35Å; A177-K180 PolarHBondContact O-N 2.83Å; A177-S181 WeakPolarHBondContact O-CB 3.28Å; A177-S181 PolarHBondContact O-N 3.3Å |
| 178 | A | 93.5 | Very high | 89.8 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | F148 F169 E174 L175 S181 V182 | F148-A178 HydrophobicContact CD1-CB 3.95Å; F148-A178 HydrophobicContact CE1-CB 4.27Å; F169-A178 HydrophobicContact CD1-CB 4.19Å; F169-A178 HydrophobicContact CE1-CB 3.36Å; F169-A178 HydrophobicContact CE2-CB 4.26Å; F169-A178 HydrophobicContact CZ-CB 3.41Å; F169-A178 VanDerWaalsContact CZ-CB 3.41Å; E174-A178 VanDerWaalsContact O-CB 3.22Å; E174-A178 WeakPolarHBondContact O-CB 2.73Å; E174-A178 PolarHBondContact O-N 3.44Å; L175-A178 PolarHBondContact O-N 2.92Å; A178-S181 PolarHBondContact O-N 3.33Å; A178-V182 PolarHBondContact O-N 3.08Å |
| 179 | Q | 92.6 | Very high | 89.3 | Confident | 54 Ų | 54 | 64.6 Ų | 64.6 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 175.9 | -168.4 | -176.8 | 15 | 0 | 0 | 111 | L130 L175 V176 S181 V182 S183 T194 | L130-Q179 HydrophobicContact CD1-CB 4.23Å; L130-Q179 HydrophobicContact CD1-CG 4.12Å; L175-Q179 WeakPolarHBondContact O-CB 3.35Å; L175-Q179 PolarHBondContact O-N 3.47Å; V176-Q179 PolarHBondContact O-N 3.27Å; Q179-S181 PolarHBondContact O-N 2.98Å; Q179-V182 PolarHBondContact O-N 3.48Å; Q179-S183 PolarHBondContact O-N 2.93Å; Q179-S183 VanDerWaalsContact O-N 3.15Å; Q179-T194 WeakPolarHBondContact CG-OG1 3.41Å; Q179-T194 PolarHBondContact NE2-O 3.3Å |
| 180 | K | 92.2 | Very high | 89 | Confident | 159 Ų | 159 | 70 Ų | 70 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | 176.9 | -71.6 | 174.2 | -178.9 | 177.3 | 0 | 112.5 | V176 A177 V182 | V176-K180 HydrophobicContact CG1-CD 4.28Å; V176-K180 WeakPolarHBondContact O-CG 3.21Å; V176-K180 PolarHBondContact O-N 3.07Å; A177-K180 PolarHBondContact O-N 2.83Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 2.93Å |
| 181 | S | 90.9 | Very high | 88.9 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 52% | 0.517 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.8 | -29 | -178.9 | -176.3 | 0 | 0 | 0 | 0 | 113.8 | A177 A178 Q179 K185 | A177-S181 WeakPolarHBondContact O-CB 3.28Å; A177-S181 PolarHBondContact O-N 3.3Å; A178-S181 PolarHBondContact O-N 3.33Å; Q179-S181 PolarHBondContact O-N 2.98Å; S181-K185 VanDerWaalsContact O-CE 3.25Å; S181-K185 WeakPolarHBondContact O-CE 3.48Å |
| 182 | V | 89.6 | Confident | 88.8 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -99.4 | -14.4 | -177 | 178.9 | 0 | 0 | 0 | 0 | 113 | F148 A178 Q179 K180 G184 K185 I192 T194 | F148-V182 HydrophobicContact CD1-CG2 4.04Å; F148-V182 HydrophobicContact CE1-CB 3.98Å; F148-V182 HydrophobicContact CE1-CG1 4.42Å; F148-V182 HydrophobicContact CE1-CG2 3.41Å; F148-V182 VanDerWaalsContact CE1-CG2 3.41Å; F148-V182 HydrophobicContact CE2-CG2 4.44Å; F148-V182 HydrophobicContact CZ-CB 3.95Å; F148-V182 HydrophobicContact CZ-CG1 3.88Å; F148-V182 HydrophobicContact CZ-CG2 3.65Å; A178-V182 PolarHBondContact O-N 3.08Å; Q179-V182 PolarHBondContact O-N 3.48Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 2.93Å; V182-G184 PolarHBondContact O-N 2.99Å; V182-K185 HydrophobicContact CG1-CB 4.31Å; V182-K185 HydrophobicContact CG2-CD 4.5Å; V182-K185 WeakPolarHBondContact O-CB 3.36Å; V182-K185 PolarHBondContact O-N 3.07Å; V182-I192 HydrophobicContact CG1-CB 4Å; V182-I192 HydrophobicContact CG1-CD1 3.77Å; V182-I192 HydrophobicContact CG1-CG2 3.86Å; V182-T194 HydrophobicContact CB-CG2 4.5Å; V182-T194 HydrophobicContact CG1-CG2 4.23Å |
| 183 | S | 85.6 | Confident | 88.6 | Confident | 87 Ų | 87 | 66 Ų | 66 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 124.5 | 173.5 | -166.8 | 0 | 0 | 0 | 0 | 110.9 | Q179 | Q179-S183 PolarHBondContact O-N 2.93Å; Q179-S183 VanDerWaalsContact O-N 3.15Å |
| 184 | G | 81.1 | Confident | 88.4 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -7.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | V182 E191 | V182-G184 PolarHBondContact O-N 2.99Å; G184-E191 WeakPolarHBondContact CA-OE1 3.44Å; G184-E191 PolarHBondContact N-OE1 2.88Å |
| 185 | K | 87.7 | Confident | 88.2 | Confident | 48 Ų | 48 | 62 Ų | 62 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | trans | -73 | 142.1 | 175.3 | -67.7 | -169.3 | 175.6 | 178.4 | 0 | 111 | S181 V182 I192 L388 E390 | S181-K185 VanDerWaalsContact O-CE 3.25Å; S181-K185 WeakPolarHBondContact O-CE 3.48Å; V182-K185 HydrophobicContact CG1-CB 4.31Å; V182-K185 HydrophobicContact CG2-CD 4.5Å; V182-K185 WeakPolarHBondContact O-CB 3.36Å; V182-K185 PolarHBondContact O-N 3.07Å; K185-I192 HydrophobicContact CB-CD1 4.22Å; K185-I192 WeakPolarHBondContact O-CG1 3.36Å; K185-I192 PolarHBondContact O-N 3.04Å; K185-L388 HydrophobicContact CB-CD2 4.38Å; K185-L388 HydrophobicContact CD-CD2 4.44Å; K185-E390 WeakPolarHBondContact CE-OE1 3.39Å; K185-E390 IonicContact NZ-OE1 2.66Å | ||
| 186 | L | 84.8 | Confident | 87.9 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132.1 | 178.5 | -61.2 | 177.8 | 0 | 0 | 0 | 110.7 | K190 E191 L388 | L186-K190 CarbonylContact C-O 3.59Å; L186-K190 WeakPolarHBondContact CA-O 3.49Å; L186-E191 HydrophobicContact CD2-CB 4Å; L186-L388 WeakPolarHBondContact O-CD2 3.5Å |
| 187 | L | 82.6 | Confident | 87.4 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.2 | 168.3 | -174.1 | 64.7 | 0 | 0 | 0 | 108.5 | L135 P136 L143 S189 K190 I192 | L135-L187 HydrophobicContact CD2-CD2 3.49Å; L135-L187 VanDerWaalsContact CD2-CD2 3.49Å; P136-L187 VanDerWaalsContact CD-CD2 3.5Å; P136-L187 HydrophobicContact CG-CD2 4.21Å; P136-L187 HydrophobicContact CG-CG 4.1Å; L143-L187 HydrophobicContact CD2-CD1 3.8Å; L143-L187 HydrophobicContact CG-CD1 4.43Å; L187-S189 VanDerWaalsContact C-N 3.34Å; L187-S189 PolarHBondContact O-N 2.89Å; L187-K190 PolarHBondContact N-O 2.89Å; L187-K190 PolarHBondContact O-N 2.95Å; L187-K190 VanDerWaalsContact O-N 3.15Å; L187-I192 HydrophobicContact CB-CD1 3.83Å; L187-I192 HydrophobicContact CB-CG1 3.62Å |
| 188 | N | 78.6 | Confident | 86 | Confident | 83 Ų | 83 | 63 Ų | 63 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 49 | -173.5 | -67.4 | 34.9 | 0 | 0 | 0 | 112.8 | P136 K190 Y386 | P136-N188 HydrophobicContact CG-CB 4.29Å; N188-K190 PolarHBondContact O-N 2.92Å; N188-K190 VanDerWaalsContact O-N 3.1Å; N188-Y386 VanDerWaalsContact OD1-CD1 3.31Å; N188-Y386 WeakPolarHBondContact OD1-CD1 3.43Å; N188-Y386 WeakPolarHBondContact OD1-CE1 3.4Å |
| 189 | S | 82.4 | Confident | 84.5 | Confident | 117 Ų | 117 | 65.1 Ų | 65.1 | 82% | 0.818 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 14.3 | 179.8 | -43.7 | 0 | 0 | 0 | 0 | 114.7 | L187 | L187-S189 VanDerWaalsContact C-N 3.34Å; L187-S189 PolarHBondContact O-N 2.89Å |
| 190 | K | 85.7 | Confident | 82.7 | Confident | 114 Ų | 114 | 69.3 Ų | 69.3 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.1 | 174.4 | -64 | -175.3 | -178.3 | -174.2 | 0 | 109.4 | P134 L186 L187 N188 I192 | P134-K190 HydrophobicContact CG-CB 3.88Å; P134-K190 HydrophobicContact CG-CD 4.08Å; L186-K190 CarbonylContact C-O 3.59Å; L186-K190 WeakPolarHBondContact CA-O 3.49Å; L187-K190 PolarHBondContact N-O 2.89Å; L187-K190 PolarHBondContact O-N 2.95Å; L187-K190 VanDerWaalsContact O-N 3.15Å; N188-K190 PolarHBondContact O-N 2.92Å; N188-K190 VanDerWaalsContact O-N 3.1Å; K190-I192 PolarHBondContact O-N 3.33Å |
| 191 | E | 88.7 | Confident | 81.2 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 132.2 | 176.6 | -169.8 | 178.3 | -174.8 | 0 | 0 | 110.9 | P134 G184 L186 K193 | P134-E191 VanDerWaalsContact CD-O 3.24Å; P134-E191 WeakPolarHBondContact CD-O 3.35Å; G184-E191 WeakPolarHBondContact CA-OE1 3.44Å; G184-E191 PolarHBondContact N-OE1 2.88Å; L186-E191 HydrophobicContact CD2-CB 4Å; E191-K193 PolarHBondContact O-N 2.8Å |
| 192 | I | 89.4 | Confident | 79.8 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | trans | -75.8 | 113.8 | 175.5 | -54.6 | 171.7 | 0 | 0 | 0 | 108 | I132 R133 L147 V182 K185 L187 K190 T194 | I132-I192 HydrophobicContact CG2-CG2 3.59Å; R133-I192 CarbonylContact O-C 3.57Å; L147-I192 HydrophobicContact CD1-CD1 3.95Å; L147-I192 HydrophobicContact CD2-CD1 4.3Å; V182-I192 HydrophobicContact CG1-CB 4Å; V182-I192 HydrophobicContact CG1-CD1 3.77Å; V182-I192 HydrophobicContact CG1-CG2 3.86Å; K185-I192 HydrophobicContact CB-CD1 4.22Å; K185-I192 WeakPolarHBondContact O-CG1 3.36Å; K185-I192 PolarHBondContact O-N 3.04Å; L187-I192 HydrophobicContact CB-CD1 3.83Å; L187-I192 HydrophobicContact CB-CG1 3.62Å; K190-I192 PolarHBondContact O-N 3.33Å; I192-T194 HydrophobicContact CG2-CG2 3.96Å | ||
| 193 | K | 88 | Confident | 78.3 | Confident | 137 Ų | 137 | 67 Ų | 67 | 60% | 0.596 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.8 | 165.1 | -60.2 | -171.7 | 177.3 | -170.2 | 0 | 109.8 | R133 E191 | R133-K193 PolarHBondContact N-O 3.26Å; R133-K193 CarbonylContact O-C 3.51Å; R133-K193 VanDerWaalsContact O-CA 3.31Å; R133-K193 WeakPolarHBondContact O-CA 3.32Å; R133-K193 WeakPolarHBondContact O-CB 3.47Å; R133-K193 PolarHBondContact O-N 3.4Å; E191-K193 PolarHBondContact O-N 2.8Å |
| 194 | T | 89.6 | Confident | 77.1 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.3 | 176.8 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | L130 T131 I132 F148 Q179 V182 I192 | L130-T194 HydrophobicContact CD2-CG2 3.85Å; L130-T194 HydrophobicContact CG-CG2 4.41Å; T131-T194 WeakPolarHBondContact O-CA 3.46Å; I132-T194 HydrophobicContact CG1-CG2 4.41Å; F148-T194 HydrophobicContact CZ-CG2 3.86Å; Q179-T194 WeakPolarHBondContact CG-OG1 3.41Å; Q179-T194 PolarHBondContact NE2-O 3.3Å; V182-T194 HydrophobicContact CB-CG2 4.5Å; V182-T194 HydrophobicContact CG1-CG2 4.23Å; I192-T194 HydrophobicContact CG2-CG2 3.96Å |
| 195 | E | 88.7 | Confident | 76.2 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.1 | 179.2 | -69.6 | 165.5 | -172.3 | 0 | 0 | 108.5 | T131 R133 C197 | T131-E195 WeakPolarHBondContact CA-O 3.48Å; T131-E195 PolarHBondContact N-O 3.15Å; T131-E195 PolarHBondContact O-N 3.04Å; T131-E195 WeakPolarHBondContact OG1-CB 3.28Å; T131-E195 PolarHBondContact OG1-O 3.2Å; R133-E195 IonicContact NH1-OE2 2.69Å; E195-C197 PolarHBondContact O-N 3.29Å |
| 196 | I | 87.7 | Confident | 75.1 | Confident | 55 Ų | 55 | 72.8 Ų | 72.8 | 28% | 0.282 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 133 | 169.4 | -44.7 | -164.9 | 0 | 0 | 0 | 107 | L175 S198 | L175-I196 HydrophobicContact CD1-CG2 4.48Å; L175-I196 HydrophobicContact CD2-CB 4.46Å; L175-I196 HydrophobicContact CD2-CD1 3.74Å; L175-I196 HydrophobicContact CD2-CG1 3.72Å; L175-I196 HydrophobicContact CD2-CG2 4.31Å; I196-S198 PolarHBondContact O-N 3.16Å |
| 197 | C | 81.1 | Confident | 74 | Confident | 13 Ų | 13 | 78.5 Ų | 78.5 | 9% | 0.088 | 41% | 0.407 | C | S | . | . | trans | -47 | 107.6 | 179.9 | -87.9 | 0 | 0 | 0 | 0 | 109.4 | Y126 T129 T131 F166 E195 L199 | Y126-C197 HydrophobicContact CD1-CB 4.32Å; Y126-C197 HydrophobicContact CG-CB 4.33Å; T129-C197 WeakPolarHBondContact CG2-SG 3.5Å; T129-C197 VanDerWaalsContact O-CB 3.28Å; T129-C197 WeakPolarHBondContact O-CB 3.36Å; T129-C197 PolarHBondContact O-N 3.16Å; T129-C197 PolarHBondContact O-SG 3.01Å; T129-C197 VanDerWaalsContact O-SG 3.4Å; T131-C197 HydrophobicContact CG2-CB 4.29Å; T131-C197 WeakPolarHBondContact CG2-SG 3.24Å; F166-C197 VanDerWaalsContact CD1-SG 3.55Å; E195-C197 PolarHBondContact O-N 3.29Å; C197-L199 PolarHBondContact O-N 3.4Å | ||
| 198 | S | 65.9 | Low | 73.1 | Confident | 47 Ų | 47 | 85.8 Ų | 85.8 | 33% | 0.329 | 45% | 0.446 | S | S | . | . | trans | -66.1 | 133.9 | -170.1 | 56.8 | 0 | 0 | 0 | 0 | 108.8 | I196 H200 G201 | I196-S198 PolarHBondContact O-N 3.16Å; S198-H200 PolarHBondContact O-N 3.03Å; S198-H200 VanDerWaalsContact O-N 3.09Å; S198-G201 PolarHBondContact O-N 3.05Å; S198-G201 PolarHBondContact OG-N 3.04Å; S198-G201 PolarHBondContact OG-O 2.8Å | ||
| 199 | L | 60.7 | Low | 72.8 | Confident | 51 Ų | 51 | 88.5 Ų | 88.5 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -19.1 | 162.5 | -78.8 | 168.3 | 0 | 0 | 0 | 111.3 | V123 Y126 C197 W210 E212 P213 | V123-L199 HydrophobicContact CG2-CD2 4.03Å; Y126-L199 HydrophobicContact CD2-CD2 4.29Å; C197-L199 PolarHBondContact O-N 3.4Å; L199-W210 WeakPolarHBondContact O-CH2 3.45Å; L199-W210 WeakPolarHBondContact O-CZ2 3.3Å; L199-E212 WeakPolarHBondContact O-CG 3.34Å; L199-P213 HydrophobicContact CD2-CB 4.31Å; L199-P213 HydrophobicContact CD2-CG 3.85Å |
| 200 | H | 56.6 | Low | 72.4 | Confident | 143 Ų | 143 | 85.3 Ų | 85.3 | 66% | 0.662 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.8 | -173.8 | -57.6 | 94 | 0 | 0 | 0 | 115.5 | S198 W210 | S198-H200 PolarHBondContact O-N 3.03Å; S198-H200 VanDerWaalsContact O-N 3.09Å; H200-W210 VanDerWaalsContact C-CH2 3.42Å; H200-W210 VanDerWaalsContact CA-CH2 3.47Å |
| 201 | G | 60 | Low | 72.1 | Confident | 7 Ų | 7 | 82.1 Ų | 82.1 | 7% | 0.072 | 42% | 0.415 | C | S | . | . | trans | 81.5 | 174.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S198 W210 | S198-G201 PolarHBondContact O-N 3.05Å; S198-G201 PolarHBondContact OG-N 3.04Å; S198-G201 PolarHBondContact OG-O 2.8Å; G201-W210 VanDerWaalsContact N-CZ2 3.27Å | ||
| 202 | P | 60.7 | Low | 71.8 | Confident | 47 Ų | 47 | 78.6 Ų | 78.6 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | trans | -73.8 | 135.7 | 180 | -3.9 | 20.5 | 0 | 0 | 0 | 110.2 | N204 V205 | P202-N204 PolarHBondContact O-N 3.12Å; P202-V205 HydrophobicContact CB-CG2 4.01Å; P202-V205 HydrophobicContact CG-CB 4.44Å; P202-V205 HydrophobicContact CG-CG2 3.62Å; P202-V205 PolarHBondContact O-N 3.02Å | ||
| 203 | D | 57.8 | Low | 71.6 | Confident | 132 Ų | 132 | 78.4 Ų | 78.4 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -26.7 | 178.4 | -53 | -37.5 | 0 | 0 | 0 | 114.1 | ||
| 204 | N | 60.8 | Low | 71.5 | Confident | 152 Ų | 152 | 76 Ų | 76 | 81% | 0.813 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 6.2 | -176.7 | -59.5 | -48.5 | 0 | 0 | 0 | 114.4 | P202 | P202-N204 PolarHBondContact O-N 3.12Š|
| 205 | V | 62.2 | Low | 71.5 | Confident | 56 Ų | 56 | 81.2 Ų | 81.2 | 34% | 0.339 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -102.7 | 129.7 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | P202 K207 K209 W210 | P202-V205 HydrophobicContact CB-CG2 4.01Å; P202-V205 HydrophobicContact CG-CB 4.44Å; P202-V205 HydrophobicContact CG-CG2 3.62Å; P202-V205 PolarHBondContact O-N 3.02Å; V205-K207 PolarHBondContact O-N 3.34Å; V205-K209 HydrophobicContact CG1-CB 3.93Å; V205-W210 HydrophobicContact CB-CB 4.29Å; V205-W210 HydrophobicContact CG1-CB 3.73Å |
| 206 | D | 64.2 | Low | 71.5 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | trans | -45.8 | 122.5 | 170.2 | -57.5 | -34 | 0 | 0 | 0 | 107.8 | N208 K209 W210 | D206-N208 PolarHBondContact O-N 3.45Å; D206-K209 HydrophobicContact CB-CB 4.38Å; D206-K209 HydrophobicContact CB-CD 4.18Å; D206-K209 HydrophobicContact CB-CG 4.21Å; D206-K209 PolarHBondContact O-N 3.12Å; D206-K209 WeakPolarHBondContact OD2-CD 3.44Å; D206-K209 VanDerWaalsContact OD2-CE 3.28Å; D206-K209 WeakPolarHBondContact OD2-CE 3.36Å; D206-K209 IonicContact OD2-NZ 3.86Å; D206-K209 PolarHBondContact OD2-NZ 3.38Å; D206-W210 PolarHBondContact O-N 3.06Å | ||
| 207 | K | 63.1 | Low | 71.7 | Confident | 186 Ų | 186 | 78.3 Ų | 78.3 | 81% | 0.809 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -24.9 | -180 | -65.3 | -177.7 | -179.3 | -178 | 0 | 111.7 | V205 W210 | V205-K207 PolarHBondContact O-N 3.34Å; K207-W210 VanDerWaalsContact O-O 3.05Å |
| 208 | N | 63.8 | Low | 72.2 | Confident | 161 Ų | 161 | 79.2 Ų | 79.2 | 86% | 0.861 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -17.6 | 177 | -57.8 | 1.7 | 0 | 0 | 0 | 114.7 | D206 | D206-N208 PolarHBondContact O-N 3.45Š|
| 209 | K | 72.3 | Confident | 73.4 | Confident | 141 Ų | 141 | 80.9 Ų | 80.9 | 61% | 0.613 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -23.9 | -179.4 | -76 | 176.5 | -177.2 | 151.1 | 0 | 113.1 | V205 D206 | V205-K209 HydrophobicContact CG1-CB 3.93Å; D206-K209 HydrophobicContact CB-CB 4.38Å; D206-K209 HydrophobicContact CB-CD 4.18Å; D206-K209 HydrophobicContact CB-CG 4.21Å; D206-K209 PolarHBondContact O-N 3.12Å; D206-K209 WeakPolarHBondContact OD2-CD 3.44Å; D206-K209 VanDerWaalsContact OD2-CE 3.28Å; D206-K209 WeakPolarHBondContact OD2-CE 3.36Å; D206-K209 IonicContact OD2-NZ 3.86Å; D206-K209 PolarHBondContact OD2-NZ 3.38Å |
| 210 | W | 73.1 | Confident | 74.8 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | trans | -98.1 | 140.2 | 178.1 | 174 | 100.9 | 0 | 0 | 0 | 108.8 | L199 H200 G201 V205 D206 K207 E212 | L199-W210 WeakPolarHBondContact O-CH2 3.45Å; L199-W210 WeakPolarHBondContact O-CZ2 3.3Å; H200-W210 VanDerWaalsContact C-CH2 3.42Å; H200-W210 VanDerWaalsContact CA-CH2 3.47Å; G201-W210 VanDerWaalsContact N-CZ2 3.27Å; V205-W210 HydrophobicContact CB-CB 4.29Å; V205-W210 HydrophobicContact CG1-CB 3.73Å; D206-W210 PolarHBondContact O-N 3.06Å; K207-W210 VanDerWaalsContact O-O 3.05Å; W210-E212 HydrophobicContact CH2-CB 3.29Å; W210-E212 HydrophobicContact CH2-CG 3.84Å; W210-E212 VanDerWaalsContact CZ2-CA 3.41Å; W210-E212 HydrophobicContact CZ2-CB 4.16Å; W210-E212 HydrophobicContact CZ3-CB 3.77Å | ||
| 211 | T | 80.4 | Confident | 76.5 | Confident | 47 Ų | 47 | 74 Ų | 74 | 29% | 0.288 | 39% | 0.386 | S | S | . | . | trans | -126.8 | 129.4 | 179.2 | -47.1 | 0 | 0 | 0 | 0 | 109.3 | Q215 R216 | T211-Q215 HydrophobicContact CG2-CB 4.01Å; T211-R216 HydrophobicContact CG2-CG 3.75Å; T211-R216 PolarHBondContact O-NE 2.86Å; T211-R216 PolarHBondContact O-NH2 2.88Å | ||
| 212 | E | 81.7 | Confident | 78.2 | Confident | 29 Ų | 29 | 76 Ų | 76 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | trans | -58.6 | 142.3 | 178.9 | -170.1 | 162.5 | -164.7 | 0 | 0 | 111.8 | L199 W210 L214 Q215 R216 | L199-E212 WeakPolarHBondContact O-CG 3.34Å; W210-E212 HydrophobicContact CH2-CB 3.29Å; W210-E212 HydrophobicContact CH2-CG 3.84Å; W210-E212 VanDerWaalsContact CZ2-CA 3.41Å; W210-E212 HydrophobicContact CZ2-CB 4.16Å; W210-E212 HydrophobicContact CZ3-CB 3.77Å; E212-L214 PolarHBondContact O-N 2.92Å; E212-L214 VanDerWaalsContact O-N 3.16Å; E212-Q215 HydrophobicContact CB-CB 4.03Å; E212-Q215 HydrophobicContact CB-CG 3.84Å; E212-Q215 PolarHBondContact O-N 3.45Å; E212-Q215 PolarHBondContact OE2-NE2 2.88Å; E212-R216 WeakPolarHBondContact O-CG 3.47Å; E212-R216 PolarHBondContact O-N 3.36Å; E212-R216 VanDerWaalsContact O-N 3.12Å | ||
| 213 | P | 85 | Confident | 79.8 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -47.1 | -46.2 | 176.1 | -33.9 | 40.8 | 0 | 0 | 0 | 113.1 | R119 L122 V123 Y126 L199 Q215 R216 | R119-P213 WeakPolarHBondContact CG-O 3.4Å; L122-P213 HydrophobicContact CB-CB 3.82Å; L122-P213 HydrophobicContact CB-CG 4.23Å; L122-P213 HydrophobicContact CD1-CB 4.26Å; V123-P213 HydrophobicContact CG2-CB 4.11Å; Y126-P213 HydrophobicContact CD2-CG 3.59Å; Y126-P213 HydrophobicContact CE2-CG 3.23Å; L199-P213 HydrophobicContact CD2-CB 4.31Å; L199-P213 HydrophobicContact CD2-CG 3.85Å; P213-Q215 VanDerWaalsContact C-N 3.34Å; P213-Q215 PolarHBondContact O-N 3.26Å; P213-R216 PolarHBondContact O-N 3.39Å |
| 214 | L | 87.1 | Confident | 81.6 | Confident | 88 Ų | 88 | 74.6 Ų | 74.6 | 46% | 0.461 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -71.3 | -26.8 | -178.1 | -62.2 | 178.2 | 0 | 0 | 0 | 113.4 | R119 V123 E212 | R119-L214 HydrophobicContact CB-CD2 4.42Å; R119-L214 VanDerWaalsContact CZ-O 3.27Å; R119-L214 PolarHBondContact NE-O 3.25Å; R119-L214 VanDerWaalsContact NE-O 3.12Å; R119-L214 PolarHBondContact NH2-O 2.94Å; V123-L214 HydrophobicContact CG2-CD2 3.89Å; V123-L214 HydrophobicContact CG2-CG 4.26Å; E212-L214 PolarHBondContact O-N 2.92Å; E212-L214 VanDerWaalsContact O-N 3.16Å |
| 215 | Q | 87.6 | Confident | 83.3 | Confident | 124 Ų | 124 | 67.8 Ų | 67.8 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -86 | -13.5 | -179.7 | -63.9 | 176.3 | 19 | 0 | 0 | 113.2 | T211 E212 P213 | T211-Q215 HydrophobicContact CG2-CB 4.01Å; E212-Q215 HydrophobicContact CB-CB 4.03Å; E212-Q215 HydrophobicContact CB-CG 3.84Å; E212-Q215 PolarHBondContact O-N 3.45Å; E212-Q215 PolarHBondContact OE2-NE2 2.88Å; P213-Q215 VanDerWaalsContact C-N 3.34Å; P213-Q215 PolarHBondContact O-N 3.26Å |
| 216 | R | 89 | Confident | 84.9 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | trans | -66.3 | 147 | -179.7 | -75.3 | 175.3 | -171.5 | -160 | -3.9 | 112.3 | R119 T211 E212 P213 D220 F221 L297 | R119-R216 VanDerWaalsContact CZ-O 3.25Å; R119-R216 PolarHBondContact NE-O 3.33Å; R119-R216 PolarHBondContact NH2-O 2.74Å; T211-R216 HydrophobicContact CG2-CG 3.75Å; T211-R216 PolarHBondContact O-NE 2.86Å; T211-R216 PolarHBondContact O-NH2 2.88Å; E212-R216 WeakPolarHBondContact O-CG 3.47Å; E212-R216 PolarHBondContact O-N 3.36Å; E212-R216 VanDerWaalsContact O-N 3.12Å; P213-R216 PolarHBondContact O-N 3.39Å; R216-D220 WeakPolarHBondContact CA-OD2 3.06Å; R216-F221 HydrophobicContact CB-CE2 3.86Å; R216-F221 HydrophobicContact CB-CZ 4.09Å; R216-F221 HydrophobicContact CG-CZ 4.47Å; R216-L297 VanDerWaalsContact CZ-CD2 3.48Å; R216-L297 VanDerWaalsContact NH1-CD2 3.27Å | ||
| 217 | T | 92.2 | Very high | 86.4 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 37% | 0.368 | 31% | 0.309 | S | S | . | . | trans | -110.1 | 166.4 | 174.3 | 67.5 | 0 | 0 | 0 | 0 | 110.2 | S219 D220 F221 | T217-S219 PolarHBondContact O-N 3.02Å; T217-S219 VanDerWaalsContact O-N 3.16Å; T217-S219 PolarHBondContact OG1-N 2.86Å; T217-S219 PolarHBondContact OG1-OG 3.32Å; T217-D220 PolarHBondContact N-OD2 3.44Å; T217-D220 WeakPolarHBondContact O-CB 3.36Å; T217-D220 PolarHBondContact O-N 3.21Å; T217-D220 VanDerWaalsContact O-N 3.16Å; T217-D220 PolarHBondContact OG1-OD2 2.77Å; T217-F221 VanDerWaalsContact O-CD2 3.23Å; T217-F221 WeakPolarHBondContact O-CD2 3.45Å; T217-F221 WeakPolarHBondContact O-CE2 3.24Å | ||
| 218 | L | 91.7 | Very high | 88 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -59.8 | -26.1 | 174.9 | -69.8 | 179.4 | 0 | 0 | 0 | 112.8 | D111 L114 L115 I118 D220 F221 M223 | D111-L218 HydrophobicContact CB-CD1 3.57Å; L114-L218 HydrophobicContact CD2-CD2 4.29Å; L114-L218 HydrophobicContact CG-CD2 4.27Å; L115-L218 HydrophobicContact CB-CD2 3.96Å; L115-L218 HydrophobicContact CB-CG 4.08Å; L115-L218 HydrophobicContact CD1-CD2 3.91Å; L115-L218 HydrophobicContact CD1-CG 4.07Å; L115-L218 HydrophobicContact CG-CD2 4.49Å; L115-L218 HydrophobicContact CG-CG 4.45Å; I118-L218 HydrophobicContact CD1-CD2 3.9Å; L218-D220 PolarHBondContact O-N 3.38Å; L218-F221 PolarHBondContact O-N 3Å; L218-F221 VanDerWaalsContact O-N 3.15Å; L218-M223 HydrophobicContact CB-CE 4.34Å; L218-M223 HydrophobicContact CD2-CE 3.91Å; L218-M223 HydrophobicContact CD2-SD 4.32Å; L218-M223 WeakPolarHBondContact O-CE 3.43Å |
| 219 | S | 90.7 | Very high | 89.4 | Confident | 82 Ų | 82 | 47 Ų | 47 | 57% | 0.573 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -63.6 | -28.7 | 179.5 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | T217 F221 K298 | T217-S219 PolarHBondContact O-N 3.02Å; T217-S219 VanDerWaalsContact O-N 3.16Å; T217-S219 PolarHBondContact OG1-N 2.86Å; T217-S219 PolarHBondContact OG1-OG 3.32Å; S219-F221 PolarHBondContact O-N 3.16Å; S219-K298 WeakPolarHBondContact O-CD 3.33Å; S219-K298 PolarHBondContact O-NZ 3.16Å |
| 220 | D | 90.4 | Very high | 90.2 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -69.7 | -18.1 | 178.6 | -60.9 | -44.5 | 0 | 0 | 0 | 112.7 | R216 T217 L218 L297 K298 | R216-D220 WeakPolarHBondContact CA-OD2 3.06Å; T217-D220 PolarHBondContact N-OD2 3.44Å; T217-D220 WeakPolarHBondContact O-CB 3.36Å; T217-D220 PolarHBondContact O-N 3.21Å; T217-D220 VanDerWaalsContact O-N 3.16Å; T217-D220 PolarHBondContact OG1-OD2 2.77Å; L218-D220 PolarHBondContact O-N 3.38Å; D220-L297 HydrophobicContact CB-CD1 3.94Å; D220-L297 WeakPolarHBondContact O-CD1 3.35Å; D220-K298 WeakPolarHBondContact O-CB 3.3Å; D220-K298 PolarHBondContact O-N 3.49Å |
| 221 | F | 93.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.6 | -174.5 | -60.9 | -84.1 | 0 | 0 | 0 | 111.7 | I118 L122 R216 T217 L218 S219 M223 F295 L296 L297 K298 | I118-F221 HydrophobicContact CG2-CD1 4.39Å; I118-F221 HydrophobicContact CG2-CD2 4.41Å; I118-F221 HydrophobicContact CG2-CE1 3.75Å; I118-F221 HydrophobicContact CG2-CE2 3.78Å; I118-F221 HydrophobicContact CG2-CZ 3.41Å; I118-F221 VanDerWaalsContact CG2-CZ 3.41Å; L122-F221 HydrophobicContact CD1-CE1 4.14Å; L122-F221 HydrophobicContact CD1-CZ 3.81Å; R216-F221 HydrophobicContact CB-CE2 3.86Å; R216-F221 HydrophobicContact CB-CZ 4.09Å; R216-F221 HydrophobicContact CG-CZ 4.47Å; T217-F221 VanDerWaalsContact O-CD2 3.23Å; T217-F221 WeakPolarHBondContact O-CD2 3.45Å; T217-F221 WeakPolarHBondContact O-CE2 3.24Å; L218-F221 PolarHBondContact O-N 3Å; L218-F221 VanDerWaalsContact O-N 3.15Å; S219-F221 PolarHBondContact O-N 3.16Å; F221-M223 HydrophobicContact CB-CE 3.28Å; F221-M223 HydrophobicContact CD2-CE 4.5Å; F221-M223 HydrophobicContact CG-CE 4.26Å; F221-M223 PolarHBondContact O-N 3.2Å; F221-F295 HydrophobicContact CB-CB 4Å; F221-F295 HydrophobicContact CD1-CB 4.03Å; F221-F295 HydrophobicContact CG-CB 4.29Å; F221-L296 CarbonylContact C-O 3.56Å; F221-L296 WeakPolarHBondContact CA-O 3.43Å; F221-L297 HydrophobicContact CD1-CD1 3.87Å; F221-L297 HydrophobicContact CE1-CD1 3.74Å; F221-L297 HydrophobicContact CG-CD1 4.43Å; F221-L297 HydrophobicContact CZ-CD1 4.19Å; F221-K298 WeakPolarHBondContact O-CE 3.33Å; F221-K298 PolarHBondContact O-NZ 3.04Å |
| 222 | D | 94.4 | Very high | 91.7 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 102 | 168.4 | -179.5 | 3 | 0 | 0 | 0 | 109.6 | R224 S225 F295 L296 K298 | D222-R224 PolarHBondContact O-N 2.6Å; D222-R224 PolarHBondContact OD1-N 3.14Å; D222-S225 PolarHBondContact O-N 3.18Å; D222-S225 WeakPolarHBondContact OD2-CB 3.42Å; D222-S225 PolarHBondContact OD2-OG 2.66Å; D222-F295 WeakPolarHBondContact O-CD1 3.43Å; D222-L296 HydrophobicContact CB-CB 4.43Å; D222-L296 PolarHBondContact N-O 2.62Å; D222-K298 HydrophobicContact CB-CG 4.18Å |
| 223 | M | 94.2 | Very high | 92.1 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | -7.6 | -178.5 | -65.7 | -62.8 | 119.7 | 0 | 0 | 114.5 | L114 I118 L218 F221 R271 F295 | L114-M223 HydrophobicContact CD2-SD 4.22Å; I118-M223 HydrophobicContact CD1-CE 4.5Å; L218-M223 HydrophobicContact CB-CE 4.34Å; L218-M223 HydrophobicContact CD2-CE 3.91Å; L218-M223 HydrophobicContact CD2-SD 4.32Å; L218-M223 WeakPolarHBondContact O-CE 3.43Å; F221-M223 HydrophobicContact CB-CE 3.28Å; F221-M223 HydrophobicContact CD2-CE 4.5Å; F221-M223 HydrophobicContact CG-CE 4.26Å; F221-M223 PolarHBondContact O-N 3.2Å; M223-R271 HydrophobicContact CB-CB 4.41Å; M223-R271 HydrophobicContact CB-CG 3.93Å; M223-R271 WeakPolarHBondContact O-CA 3.49Å; M223-F295 HydrophobicContact CE-CG 4.44Å; M223-F295 WeakPolarHBondContact O-CE1 3.41Å; M223-F295 HydrophobicContact SD-CD1 4.47Å; M223-F295 HydrophobicContact SD-CE1 4.44Å |
| 224 | R | 95.4 | Very high | 92.4 | Very high | 122 Ų | 122 | 41.6 Ų | 41.6 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -4.5 | 176.3 | -67.1 | 178.2 | 61.7 | 169.4 | -1.5 | 113.2 | D222 Y268 H269 | D222-R224 PolarHBondContact O-N 2.6Å; D222-R224 PolarHBondContact OD1-N 3.14Å; R224-Y268 PolarHBondContact NE-O 2.94Å; R224-Y268 PolarHBondContact NH2-O 2.85Å; R224-Y268 WeakPolarHBondContact O-CB 3.49Å; R224-Y268 PolarHBondContact O-N 3.42Å; R224-H269 PolarHBondContact NE-O 3.41Å; R224-H269 PolarHBondContact NH2-O 2.9Å |
| 225 | S | 96.5 | Very high | 92.7 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.1 | -175.2 | -60.3 | 0 | 0 | 0 | 0 | 111 | D222 L266 L296 | D222-S225 PolarHBondContact O-N 3.18Å; D222-S225 WeakPolarHBondContact OD2-CB 3.42Å; D222-S225 PolarHBondContact OD2-OG 2.66Å; S225-L266 CarbonylContact C-O 3.48Å; S225-L266 WeakPolarHBondContact CA-O 3.38Å; S225-L296 PolarHBondContact O-N 3.49Å |
| 226 | L | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.2 | 174.2 | -57.6 | 178.6 | 0 | 0 | 0 | 110.2 | T265 L266 Y268 A274 D277 F278 V293 M294 F295 | L226-T265 CarbonylContact O-C 3.56Å; L226-T265 WeakPolarHBondContact O-CA 3.42Å; L226-L266 HydrophobicContact CB-CB 4.26Å; L226-L266 HydrophobicContact CB-CD1 4.4Å; L226-L266 PolarHBondContact N-O 2.93Å; L226-L266 PolarHBondContact O-N 2.92Å; L226-Y268 HydrophobicContact CB-CE2 4.21Å; L226-Y268 HydrophobicContact CD1-CD2 4.48Å; L226-Y268 HydrophobicContact CD1-CE2 3.56Å; L226-Y268 HydrophobicContact CG-CD2 4.31Å; L226-Y268 HydrophobicContact CG-CE2 3.72Å; L226-A274 HydrophobicContact CD2-CB 4.34Å; L226-A274 HydrophobicContact CG-CB 4.31Å; L226-D277 HydrophobicContact CD1-CB 3.92Å; L226-F278 HydrophobicContact CD2-CB 4.1Å; L226-F278 HydrophobicContact CD2-CD2 4.43Å; L226-V293 HydrophobicContact CB-CG1 4.29Å; L226-V293 HydrophobicContact CD1-CG1 3.73Å; L226-V293 HydrophobicContact CD2-CG1 4.48Å; L226-V293 HydrophobicContact CG-CG1 4.4Å; L226-M294 CarbonylContact C-O 3.52Å; L226-M294 WeakPolarHBondContact CA-O 3.48Å; L226-F295 HydrophobicContact CD2-CD1 3.62Å; L226-F295 HydrophobicContact CD2-CD2 4.45Å; L226-F295 HydrophobicContact CD2-CE1 3.69Å; L226-F295 HydrophobicContact CD2-CE2 4.49Å; L226-F295 HydrophobicContact CD2-CG 4.05Å; L226-F295 HydrophobicContact CD2-CZ 4.14Å |
| 227 | H | 95.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 18% | 0.181 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.6 | 170.2 | -169.7 | -140.2 | 0 | 0 | 0 | 108 | Y263 C264 M294 L296 | H227-Y263 AromaticContact NE2-CD2 3.38Å; H227-Y263 WeakPolarHBondContact NE2-CD2 3.44Å; H227-Y263 AromaticContact NE2-CG 3.98Å; H227-C264 WeakPolarHBondContact CA-O 3.44Å; H227-C264 PolarHBondContact CD2-O 3.39Å; H227-M294 PolarHBondContact N-O 3.26Å; H227-M294 PolarHBondContact O-N 3.23Å; H227-L296 HydrophobicContact CB-CD1 4.05Å |
| 228 | V | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.7 | 176.9 | -172 | 0 | 0 | 0 | 0 | 108.3 | L231 F244 Y263 C264 L266 I291 Y292 V293 | V228-L231 HydrophobicContact CG1-CD2 3.72Å; V228-L231 HydrophobicContact CG1-CG 4.29Å; V228-F244 HydrophobicContact CG1-CE2 4.49Å; V228-F244 HydrophobicContact CG2-CE2 3.92Å; V228-F244 HydrophobicContact CG2-CZ 3.79Å; V228-Y263 CarbonylContact O-C 3.59Å; V228-Y263 WeakPolarHBondContact O-CA 3.4Å; V228-Y263 WeakPolarHBondContact O-CB 3.44Å; V228-C264 VanDerWaalsContact CB-SG 3.6Å; V228-C264 PolarHBondContact N-O 3.33Å; V228-C264 PolarHBondContact O-N 2.66Å; V228-L266 HydrophobicContact CG2-CD1 3.54Å; V228-L266 HydrophobicContact CG2-CG 4.04Å; V228-I291 HydrophobicContact CG1-CB 4.05Å; V228-I291 HydrophobicContact CG1-CD1 3.9Å; V228-I291 HydrophobicContact CG1-CG1 4.21Å; V228-Y292 CarbonylContact C-O 3.59Å; V228-Y292 VanDerWaalsContact CA-O 3.24Å; V228-Y292 WeakPolarHBondContact CA-O 3.37Å; V228-Y292 WeakPolarHBondContact CG1-O 3.18Å; V228-V293 HydrophobicContact CG1-CG2 4.47Å; V228-V293 HydrophobicContact CG2-CG2 4.43Å |
| 229 | L | 93.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 161 | -174.2 | -74.3 | 158.2 | 0 | 0 | 0 | 110.4 | M125 Y292 | M125-L229 HydrophobicContact CE-CD1 4.44Å; M125-L229 HydrophobicContact SD-CD1 3.53Å; M125-L229 VanDerWaalsContact SD-CD1 3.53Å; L229-Y292 PolarHBondContact N-O 2.76Å; L229-Y292 PolarHBondContact O-N 3.46Å |
| 230 | H | 89.8 | Confident | 93.6 | Very high | 16 Ų | 16 | 40 Ų | 40 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | trans | 61.5 | 41.1 | -179.4 | -46.9 | -65.8 | 0 | 0 | 0 | 113.1 | N153 G262 Y292 | N153-H230 HydrophobicContact CB-CB 4.28Å; H230-G262 PolarHBondContact N-O 3.42Å; H230-Y292 AromaticContact CD2-CD2 3.44Å; H230-Y292 VanDerWaalsContact CD2-CD2 3.44Å; H230-Y292 WeakPolarHBondContact CD2-CD2 3.42Å; H230-Y292 AromaticContact CD2-CG 3.85Å | ||
| 231 | L | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -72.9 | 134.9 | 170.2 | -59.8 | 176.5 | 0 | 0 | 0 | 109.8 | N153 V228 T235 L240 G262 C264 I286 I291 | N153-L231 PolarHBondContact ND2-O 3.4Å; V228-L231 HydrophobicContact CG1-CD2 3.72Å; V228-L231 HydrophobicContact CG1-CG 4.29Å; L231-T235 HydrophobicContact CB-CG2 4.43Å; L231-T235 HydrophobicContact CD1-CG2 4.41Å; L231-T235 HydrophobicContact CD2-CG2 4.31Å; L231-L240 HydrophobicContact CD1-CD1 4.16Å; L231-L240 HydrophobicContact CD1-CD2 4.05Å; L231-L240 HydrophobicContact CD2-CD2 3.93Å; L231-G262 PolarHBondContact N-O 2.73Å; L231-G262 VanDerWaalsContact O-CA 3.23Å; L231-G262 WeakPolarHBondContact O-CA 3.35Å; L231-C264 HydrophobicContact CD1-CB 3.94Å; L231-I286 HydrophobicContact CD2-CD1 4.17Å; L231-I291 HydrophobicContact CD2-CB 4.36Å; L231-I291 HydrophobicContact CD2-CG2 3.71Å | ||
| 232 | P | 91.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | trans | -54.7 | 151.8 | 166.5 | -14.3 | 13.2 | 0 | 0 | 0 | 111.9 | A234 T235 I286 H287 E289 | P232-A234 PolarHBondContact O-N 3.44Å; P232-T235 VanDerWaalsContact CD-OG1 3.24Å; P232-T235 WeakPolarHBondContact CD-OG1 3.25Å; P232-T235 WeakPolarHBondContact CG-OG1 3.17Å; P232-T235 VanDerWaalsContact O-CB 3.29Å; P232-T235 WeakPolarHBondContact O-CB 3.2Å; P232-T235 PolarHBondContact O-N 3.12Å; P232-T235 PolarHBondContact O-OG1 3.47Å; P232-T235 VanDerWaalsContact O-OG1 3.13Å; P232-I286 HydrophobicContact CG-CB 4.46Å; P232-I286 WeakPolarHBondContact CG-O 3.44Å; P232-H287 HydrophobicContact CB-CB 4.07Å; P232-H287 HydrophobicContact CG-CB 3.85Å; P232-E289 HydrophobicContact CB-CG 4.49Å; P232-E289 HydrophobicContact CG-CB 3.91Å; P232-E289 HydrophobicContact CG-CG 4.05Å | ||
| 233 | R | 89.6 | Confident | 93.7 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.5 | 175.4 | -78.1 | -178.4 | 166.7 | -93.7 | -4.8 | 113.1 | V141 T235 Y255 S259 C260 | V141-R233 VanDerWaalsContact CG1-NH2 3.34Å; R233-T235 VanDerWaalsContact C-N 3.28Å; R233-T235 PolarHBondContact O-N 2.98Å; R233-Y255 VanDerWaalsContact NH2-CE2 3.28Å; R233-S259 PolarHBondContact NH1-OG 3.32Å; R233-S259 VanDerWaalsContact NH1-OG 3.17Å; R233-C260 PolarHBondContact O-N 2.93Å |
| 234 | A | 91.7 | Very high | 93.7 | Very high | 62 Ų | 62 | 37.6 Ų | 37.6 | 51% | 0.512 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P232 T236 H287 | P232-A234 PolarHBondContact O-N 3.44Å; A234-T236 PolarHBondContact O-N 3.35Å; A234-H287 PolarHBondContact O-NE2 3.12Å |
| 235 | T | 93.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | trans | -62.3 | 125.8 | -179.5 | -61.9 | 0 | 0 | 0 | 0 | 111 | L231 P232 R233 D239 L240 C260 I286 | L231-T235 HydrophobicContact CB-CG2 4.43Å; L231-T235 HydrophobicContact CD1-CG2 4.41Å; L231-T235 HydrophobicContact CD2-CG2 4.31Å; P232-T235 VanDerWaalsContact CD-OG1 3.24Å; P232-T235 WeakPolarHBondContact CD-OG1 3.25Å; P232-T235 WeakPolarHBondContact CG-OG1 3.17Å; P232-T235 VanDerWaalsContact O-CB 3.29Å; P232-T235 WeakPolarHBondContact O-CB 3.2Å; P232-T235 PolarHBondContact O-N 3.12Å; P232-T235 PolarHBondContact O-OG1 3.47Å; P232-T235 VanDerWaalsContact O-OG1 3.13Å; R233-T235 VanDerWaalsContact C-N 3.28Å; R233-T235 PolarHBondContact O-N 2.98Å; T235-D239 HydrophobicContact CG2-CB 4.29Å; T235-L240 HydrophobicContact CG2-CD2 4.27Å; T235-L240 HydrophobicContact CG2-CG 4.01Å; T235-C260 WeakPolarHBondContact O-CB 3.26Å; T235-I286 HydrophobicContact CG2-CG2 4.13Å | ||
| 236 | T | 93.9 | Very high | 93.6 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 39% | 0.393 | 21% | 0.21 | S | C | . | . | trans | -98.6 | 164 | 176 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | A234 F238 D239 L240 | A234-T236 PolarHBondContact O-N 3.35Å; T236-F238 PolarHBondContact O-N 2.84Å; T236-F238 PolarHBondContact OG1-N 3.36Å; T236-D239 PolarHBondContact N-OD2 2.89Å; T236-D239 PolarHBondContact O-N 3.29Å; T236-D239 PolarHBondContact OG1-N 2.88Å; T236-D239 PolarHBondContact OG1-OD1 2.99Å; T236-D239 PolarHBondContact OG1-OD2 3.17Å; T236-L240 PolarHBondContact O-N 3.16Å | ||
| 237 | R | 93.4 | Very high | 93.5 | Very high | 160 Ų | 160 | 42 Ų | 42 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.6 | -29.4 | 170.9 | -175.4 | 177.6 | 174 | -177.1 | -1.5 | 111.9 | L240 A241 I250 M252 | R237-L240 PolarHBondContact O-N 2.93Å; R237-A241 WeakPolarHBondContact O-CB 3.46Å; R237-A241 PolarHBondContact O-N 3.42Å; R237-I250 HydrophobicContact CG-CG2 4.24Å; R237-M252 HydrophobicContact CB-CE 4.41Å |
| 238 | F | 93.3 | Very high | 93.5 | Very high | 132 Ų | 132 | 45.1 Ų | 45.1 | 58% | 0.579 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.8 | -45 | 177.1 | -179.2 | -98.6 | 0 | 0 | 0 | 111.4 | T236 L240 A241 Q242 | T236-F238 PolarHBondContact O-N 2.84Å; T236-F238 PolarHBondContact OG1-N 3.36Å; F238-L240 VanDerWaalsContact C-N 3.27Å; F238-L240 PolarHBondContact O-N 2.86Å; F238-A241 PolarHBondContact O-N 3.3Å; F238-Q242 HydrophobicContact CD1-CG 4.32Å; F238-Q242 VanDerWaalsContact CE1-CD 3.44Å; F238-Q242 HydrophobicContact CE1-CG 3.98Å; F238-Q242 HydrophobicContact CZ-CG 4.19Å; F238-Q242 WeakPolarHBondContact O-CG 3.32Å; F238-Q242 PolarHBondContact O-N 2.71Å |
| 239 | D | 94.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.059 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 175.4 | -54.3 | -30.8 | 0 | 0 | 0 | 110.6 | V96 T235 T236 A241 Q242 V243 I286 H287 | V96-D239 HydrophobicContact CG2-CB 4.44Å; T235-D239 HydrophobicContact CG2-CB 4.29Å; T236-D239 PolarHBondContact N-OD2 2.89Å; T236-D239 PolarHBondContact O-N 3.29Å; T236-D239 PolarHBondContact OG1-N 2.88Å; T236-D239 PolarHBondContact OG1-OD1 2.99Å; T236-D239 PolarHBondContact OG1-OD2 3.17Å; D239-A241 PolarHBondContact O-N 3.14Å; D239-Q242 PolarHBondContact O-N 3.35Å; D239-V243 WeakPolarHBondContact O-CG2 3.48Å; D239-V243 PolarHBondContact O-N 3.42Å; D239-V243 VanDerWaalsContact O-N 3.08Å; D239-I286 HydrophobicContact CB-CG2 4.27Å; D239-H287 IonicContact OD2-CD2 3.33Å; D239-H287 IonicContact OD2-CE1 3.64Å; D239-H287 IonicContact OD2-NE2 3.71Å; D239-H287 PolarHBondContact OD2-NE2 3.16Å |
| 240 | L | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 175.9 | -68.4 | 173.3 | 0 | 0 | 0 | 112.9 | L231 T235 T236 R237 F238 Q242 V243 F244 I250 M252 C264 I286 | L231-L240 HydrophobicContact CD1-CD1 4.16Å; L231-L240 HydrophobicContact CD1-CD2 4.05Å; L231-L240 HydrophobicContact CD2-CD2 3.93Å; T235-L240 HydrophobicContact CG2-CD2 4.27Å; T235-L240 HydrophobicContact CG2-CG 4.01Å; T236-L240 PolarHBondContact O-N 3.16Å; R237-L240 PolarHBondContact O-N 2.93Å; F238-L240 VanDerWaalsContact C-N 3.27Å; F238-L240 PolarHBondContact O-N 2.86Å; L240-Q242 VanDerWaalsContact C-N 3.29Å; L240-Q242 PolarHBondContact O-N 3.25Å; L240-V243 PolarHBondContact O-N 3.19Å; L240-F244 HydrophobicContact CD2-CD2 4.38Å; L240-F244 HydrophobicContact CD2-CE2 4.24Å; L240-F244 WeakPolarHBondContact O-CB 3.4Å; L240-F244 WeakPolarHBondContact O-CD2 3.35Å; L240-F244 PolarHBondContact O-N 3.39Å; L240-I250 HydrophobicContact CB-CD1 4.31Å; L240-I250 HydrophobicContact CB-CG2 4.25Å; L240-I250 HydrophobicContact CD1-CG2 3.9Å; L240-M252 HydrophobicContact CD1-CB 4.25Å; L240-M252 HydrophobicContact CD1-CG 4.18Å; L240-M252 HydrophobicContact CD1-SD 3.63Å; L240-C264 HydrophobicContact CD1-CB 3.86Å; L240-I286 HydrophobicContact CD2-CD1 4.32Å |
| 241 | A | 94.2 | Very high | 93.9 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68 | -29.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R237 F238 D239 P245 I250 | R237-A241 WeakPolarHBondContact O-CB 3.46Å; R237-A241 PolarHBondContact O-N 3.42Å; F238-A241 PolarHBondContact O-N 3.3Å; D239-A241 PolarHBondContact O-N 3.14Å; A241-P245 WeakPolarHBondContact O-CA 3.49Å; A241-I250 HydrophobicContact CB-CD1 4.09Å |
| 242 | Q | 92.4 | Very high | 93.9 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.6 | -41.3 | 171.7 | -67 | -170.4 | -38.4 | 0 | 0 | 111.7 | S93 F238 D239 L240 | S93-Q242 VanDerWaalsContact N-OE1 3.1Å; S93-Q242 PolarHBondContact OG-OE1 3.34Å; F238-Q242 HydrophobicContact CD1-CG 4.32Å; F238-Q242 VanDerWaalsContact CE1-CD 3.44Å; F238-Q242 HydrophobicContact CE1-CG 3.98Å; F238-Q242 HydrophobicContact CZ-CG 4.19Å; F238-Q242 WeakPolarHBondContact O-CG 3.32Å; F238-Q242 PolarHBondContact O-N 2.71Å; D239-Q242 PolarHBondContact O-N 3.35Å; L240-Q242 VanDerWaalsContact C-N 3.29Å; L240-Q242 PolarHBondContact O-N 3.25Å |
| 243 | V | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72 | -41.5 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | V96 L98 D239 L240 P245 K281 T284 I286 I291 | V96-V243 HydrophobicContact CB-CG2 4.45Å; V96-V243 HydrophobicContact CG1-CG2 3.4Å; V96-V243 HydrophobicContact CG2-CG2 4.15Å; L98-V243 HydrophobicContact CD2-CG1 4.34Å; D239-V243 WeakPolarHBondContact O-CG2 3.48Å; D239-V243 PolarHBondContact O-N 3.42Å; D239-V243 VanDerWaalsContact O-N 3.08Å; L240-V243 PolarHBondContact O-N 3.19Å; V243-P245 VanDerWaalsContact O-CD 3.25Å; V243-P245 WeakPolarHBondContact O-CD 3.48Å; V243-K281 HydrophobicContact CG1-CB 4.45Å; V243-K281 HydrophobicContact CG1-CD 4.01Å; V243-K281 HydrophobicContact CG1-CG 4.48Å; V243-K281 WeakPolarHBondContact O-CE 3.43Å; V243-K281 PolarHBondContact O-NZ 3.44Å; V243-T284 HydrophobicContact CG1-CG2 4.04Å; V243-T284 HydrophobicContact CG2-CG2 4.1Å; V243-I286 HydrophobicContact CG2-CD1 3.97Å; V243-I286 HydrophobicContact CG2-CG1 4.3Å; V243-I291 HydrophobicContact CG1-CD1 4.48Å |
| 244 | F | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | trans | -120.5 | 64.9 | -174.2 | -55.8 | -80.1 | 0 | 0 | 0 | 112 | V228 L240 K246 A247 L266 Y268 D277 K281 I291 V293 | V228-F244 HydrophobicContact CG1-CE2 4.49Å; V228-F244 HydrophobicContact CG2-CE2 3.92Å; V228-F244 HydrophobicContact CG2-CZ 3.79Å; L240-F244 HydrophobicContact CD2-CD2 4.38Å; L240-F244 HydrophobicContact CD2-CE2 4.24Å; L240-F244 WeakPolarHBondContact O-CB 3.4Å; L240-F244 WeakPolarHBondContact O-CD2 3.35Å; L240-F244 PolarHBondContact O-N 3.39Å; F244-K246 PolarHBondContact O-N 3.28Å; F244-K246 VanDerWaalsContact O-N 3.14Å; F244-A247 HydrophobicContact CB-CB 4.24Å; F244-A247 WeakPolarHBondContact O-CB 3.25Å; F244-A247 PolarHBondContact O-N 2.85Å; F244-L266 HydrophobicContact CB-CD1 3.96Å; F244-L266 HydrophobicContact CD1-CD1 3.55Å; F244-L266 HydrophobicContact CD2-CD1 3.58Å; F244-L266 HydrophobicContact CE1-CD1 3.82Å; F244-L266 HydrophobicContact CE2-CD1 3.87Å; F244-L266 HydrophobicContact CG-CD1 3.41Å; F244-L266 VanDerWaalsContact CG-CD1 3.41Å; F244-L266 HydrophobicContact CZ-CD1 3.98Å; F244-Y268 WeakPolarHBondContact CD1-OH 3.19Å; F244-D277 HydrophobicContact CD1-CB 4.17Å; F244-D277 HydrophobicContact CE1-CB 4.38Å; F244-K281 HydrophobicContact CD1-CB 4.32Å; F244-K281 HydrophobicContact CD1-CG 4.1Å; F244-K281 HydrophobicContact CE1-CB 3.49Å; F244-K281 VanDerWaalsContact CE1-CB 3.49Å; F244-K281 HydrophobicContact CE1-CG 3.77Å; F244-K281 HydrophobicContact CZ-CB 3.96Å; F244-I291 HydrophobicContact CE2-CD1 4.14Å; F244-I291 HydrophobicContact CZ-CD1 4Å; F244-V293 HydrophobicContact CE1-CG1 4.49Å; F244-V293 HydrophobicContact CE1-CG2 4.21Å; F244-V293 HydrophobicContact CZ-CG2 3.82Å | ||
| 245 | P | 94.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.3 | -174 | 27.6 | -35.9 | 0 | 0 | 0 | 113.7 | A241 V243 | A241-P245 WeakPolarHBondContact O-CA 3.49Å; V243-P245 VanDerWaalsContact O-CD 3.25Å; V243-P245 WeakPolarHBondContact O-CD 3.48Å |
| 246 | K | 94.5 | Very high | 93.4 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.6 | -179.5 | -63.1 | -175.7 | -179.8 | -177.5 | 0 | 113.6 | F244 V248 Y268 | F244-K246 PolarHBondContact O-N 3.28Å; F244-K246 VanDerWaalsContact O-N 3.14Å; K246-V248 PolarHBondContact O-N 3.19Å; K246-Y268 HydrophobicContact CB-CE1 4.28Å |
| 247 | A | 95.5 | Very high | 93.1 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | trans | -71.2 | 125.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F244 G249 I250 L266 Y268 | F244-A247 HydrophobicContact CB-CB 4.24Å; F244-A247 WeakPolarHBondContact O-CB 3.25Å; F244-A247 PolarHBondContact O-N 2.85Å; A247-G249 VanDerWaalsContact C-N 3.33Å; A247-I250 HydrophobicContact CB-CG1 4.15Å; A247-L266 HydrophobicContact CB-CB 4.34Å; A247-L266 HydrophobicContact CB-CD2 4.27Å; A247-Y268 HydrophobicContact CB-CE1 4.22Å | ||
| 248 | V | 95.8 | Very high | 92.9 | Very high | 105 Ų | 105 | 58.6 Ų | 58.6 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -72.4 | -33.3 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | K246 T267 H269 | K246-V248 PolarHBondContact O-N 3.19Å; V248-T267 WeakPolarHBondContact CB-O 3.3Å; V248-T267 PolarHBondContact N-O 3.31Å; V248-H269 HydrophobicContact CG2-CB 4.02Å |
| 249 | G | 94.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | A247 L266 T267 | A247-G249 VanDerWaalsContact C-N 3.33Å; G249-L266 WeakPolarHBondContact O-CA 3.35Å; G249-T267 VanDerWaalsContact CA-OG1 3.28Å; G249-T267 WeakPolarHBondContact CA-OG1 3.37Å; G249-T267 PolarHBondContact N-O 2.93Å; G249-T267 PolarHBondContact N-OG1 2.91Å; G249-T267 PolarHBondContact O-N 3.45Å; G249-T267 PolarHBondContact O-OG1 3.11Å |
| 250 | I | 96.5 | Very high | 92.5 | Very high | 26 Ų | 26 | 53 Ų | 53 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 110.4 | 175.3 | -54.9 | -178.7 | 0 | 0 | 0 | 107.4 | R237 L240 A241 A247 L266 | R237-I250 HydrophobicContact CG-CG2 4.24Å; L240-I250 HydrophobicContact CB-CD1 4.31Å; L240-I250 HydrophobicContact CB-CG2 4.25Å; L240-I250 HydrophobicContact CD1-CG2 3.9Å; A241-I250 HydrophobicContact CB-CD1 4.09Å; A247-I250 HydrophobicContact CB-CG1 4.15Å; I250-L266 HydrophobicContact CB-CD2 4.2Å; I250-L266 HydrophobicContact CD1-CD2 4.42Å; I250-L266 HydrophobicContact CG1-CD2 3.79Å; I250-L266 HydrophobicContact CG2-CD2 3.93Å |
| 251 | R | 95.5 | Very high | 92.2 | Very high | 168 Ų | 168 | 55.6 Ų | 55.6 | 63% | 0.634 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 103.6 | 175.2 | -175.1 | 175.8 | -177.5 | -91.2 | -1.2 | 109.2 | C264 T265 | R251-C264 CarbonylContact O-C 3.42Å; R251-C264 VanDerWaalsContact O-CA 3.32Å; R251-C264 WeakPolarHBondContact O-CA 3.44Å; R251-C264 WeakPolarHBondContact O-CB 3.44Å; R251-T265 PolarHBondContact N-O 2.89Å; R251-T265 PolarHBondContact O-N 2.89Å |
| 252 | M | 93.9 | Very high | 92.1 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 20% | 0.197 | 30% | 0.296 | C | S | . | . | trans | -115.7 | 104.5 | -179.9 | -174.9 | -177.2 | 78.2 | 0 | 0 | 109.8 | R237 L240 T254 C260 C264 | R237-M252 HydrophobicContact CB-CE 4.41Å; L240-M252 HydrophobicContact CD1-CB 4.25Å; L240-M252 HydrophobicContact CD1-CG 4.18Å; L240-M252 HydrophobicContact CD1-SD 3.63Å; M252-T254 HydrophobicContact CE-CG2 4.17Å; M252-C260 HydrophobicContact SD-CB 4.25Å; M252-C264 HydrophobicContact CB-CB 4.03Å; M252-C264 HydrophobicContact CG-CB 4.22Å | ||
| 253 | P | 92.1 | Very high | 92.1 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | trans | -65.4 | 138.3 | 174.1 | -25.4 | 38.6 | 0 | 0 | 0 | 111.9 | R261 Y263 | P253-R261 HydrophobicContact CB-CB 4.32Å; P253-R261 HydrophobicContact CB-CG 4.2Å; P253-R261 WeakPolarHBondContact O-CB 3.25Å; P253-R261 WeakPolarHBondContact O-CG 3.5Å; P253-R261 PolarHBondContact O-N 2.93Å; P253-Y263 WeakPolarHBondContact CD-O 3.14Å; P253-Y263 HydrophobicContact CG-CE2 3.73Å | ||
| 254 | T | 91.4 | Very high | 92.2 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 37% | 0.368 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -115.6 | 151 | 176.9 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | M252 G258 S259 R261 | M252-T254 HydrophobicContact CE-CG2 4.17Å; T254-G258 WeakPolarHBondContact CG2-O 3.38Å; T254-S259 CarbonylContact C-O 3.48Å; T254-S259 WeakPolarHBondContact CA-O 3.41Å; T254-S259 WeakPolarHBondContact CB-O 3.35Å; T254-R261 VanDerWaalsContact C-NE 3.34Å; T254-R261 VanDerWaalsContact O-CZ 3.27Å; T254-R261 PolarHBondContact O-NE 3.36Å; T254-R261 PolarHBondContact O-NH2 3.12Å |
| 255 | Y | 86 | Confident | 92.3 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | trans | -71.1 | 174.5 | 166.1 | -68.3 | -73.6 | 0 | 0 | 0 | 110.1 | R233 D257 G258 S259 R261 | R233-Y255 VanDerWaalsContact NH2-CE2 3.28Å; Y255-D257 WeakPolarHBondContact CB-OD1 3.23Å; Y255-D257 PolarHBondContact O-N 3.4Å; Y255-G258 PolarHBondContact O-N 2.68Å; Y255-S259 WeakPolarHBondContact CD2-OG 3.48Å; Y255-S259 PolarHBondContact N-O 3.49Å; Y255-R261 HydrophobicContact CD1-CG 4.11Å; Y255-R261 HydrophobicContact CD2-CG 3.9Å; Y255-R261 HydrophobicContact CE1-CG 4.11Å; Y255-R261 HydrophobicContact CE2-CB 4.19Å; Y255-R261 HydrophobicContact CE2-CG 3.93Å; Y255-R261 HydrophobicContact CG-CG 4Å | ||
| 256 | D | 85.5 | Confident | 92.4 | Very high | 158 Ų | 158 | 51 Ų | 51 | 85% | 0.845 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23 | -178.3 | -52.8 | -39.5 | 0 | 0 | 0 | 112.1 | G258 | D256-G258 PolarHBondContact O-N 3.33Š|
| 257 | D | 87.6 | Confident | 92.6 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 60% | 0.599 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.4 | 171.5 | 66.9 | -0.4 | 0 | 0 | 0 | 113.7 | Y255 S259 | Y255-D257 WeakPolarHBondContact CB-OD1 3.23Å; Y255-D257 PolarHBondContact O-N 3.4Å; D257-S259 VanDerWaalsContact C-N 3.29Å; D257-S259 PolarHBondContact O-N 3.46Å; D257-S259 VanDerWaalsContact OD1-CB 3.24Å; D257-S259 WeakPolarHBondContact OD1-CB 3.48Å; D257-S259 PolarHBondContact OD1-N 2.96Å; D257-S259 PolarHBondContact OD1-OG 3.48Å; D257-S259 PolarHBondContact OD2-OG 2.84Å |
| 258 | G | 89.2 | Confident | 92.6 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 81.9 | -5.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T254 Y255 D256 | T254-G258 WeakPolarHBondContact CG2-O 3.38Å; Y255-G258 PolarHBondContact O-N 2.68Å; D256-G258 PolarHBondContact O-N 3.33Å |
| 259 | S | 89.2 | Confident | 92.7 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 16% | 0.161 | 27% | 0.265 | C | S | . | . | trans | -72.3 | 152.2 | 179.1 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | R233 T254 Y255 D257 | R233-S259 PolarHBondContact NH1-OG 3.32Å; R233-S259 VanDerWaalsContact NH1-OG 3.17Å; T254-S259 CarbonylContact C-O 3.48Å; T254-S259 WeakPolarHBondContact CA-O 3.41Å; T254-S259 WeakPolarHBondContact CB-O 3.35Å; Y255-S259 WeakPolarHBondContact CD2-OG 3.48Å; Y255-S259 PolarHBondContact N-O 3.49Å; D257-S259 VanDerWaalsContact C-N 3.29Å; D257-S259 PolarHBondContact O-N 3.46Å; D257-S259 VanDerWaalsContact OD1-CB 3.24Å; D257-S259 WeakPolarHBondContact OD1-CB 3.48Å; D257-S259 PolarHBondContact OD1-N 2.96Å; D257-S259 PolarHBondContact OD1-OG 3.48Å; D257-S259 PolarHBondContact OD2-OG 2.84Å | ||
| 260 | C | 91.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 138.4 | -179.1 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | R233 T235 M252 G262 | R233-C260 PolarHBondContact O-N 2.93Å; T235-C260 WeakPolarHBondContact O-CB 3.26Å; M252-C260 HydrophobicContact SD-CB 4.25Å; C260-G262 PolarHBondContact O-N 2.76Å; C260-G262 PolarHBondContact SG-N 3.13Å; C260-G262 VanDerWaalsContact SG-N 3.38Å |
| 261 | R | 88.9 | Confident | 92.6 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 21% | 0.211 | 28% | 0.28 | C | S | . | . | trans | -75.1 | 5.1 | 175.7 | -66.7 | -167.8 | -166.7 | -169.1 | -7.5 | 115.1 | P253 T254 Y255 Y263 | P253-R261 HydrophobicContact CB-CB 4.32Å; P253-R261 HydrophobicContact CB-CG 4.2Å; P253-R261 WeakPolarHBondContact O-CB 3.25Å; P253-R261 WeakPolarHBondContact O-CG 3.5Å; P253-R261 PolarHBondContact O-N 2.93Å; T254-R261 VanDerWaalsContact C-NE 3.34Å; T254-R261 VanDerWaalsContact O-CZ 3.27Å; T254-R261 PolarHBondContact O-NE 3.36Å; T254-R261 PolarHBondContact O-NH2 3.12Å; Y255-R261 HydrophobicContact CD1-CG 4.11Å; Y255-R261 HydrophobicContact CD2-CG 3.9Å; Y255-R261 HydrophobicContact CE1-CG 4.11Å; Y255-R261 HydrophobicContact CE2-CB 4.19Å; Y255-R261 HydrophobicContact CE2-CG 3.93Å; Y255-R261 HydrophobicContact CG-CG 4Å; R261-Y263 HydrophobicContact CB-CD1 4.11Å; R261-Y263 HydrophobicContact CB-CE1 3.79Å | ||
| 262 | G | 91 | Very high | 92.5 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 84.8 | 8.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H230 L231 C260 | H230-G262 PolarHBondContact N-O 3.42Å; L231-G262 PolarHBondContact N-O 2.73Å; L231-G262 VanDerWaalsContact O-CA 3.23Å; L231-G262 WeakPolarHBondContact O-CA 3.35Å; C260-G262 PolarHBondContact O-N 2.76Å; C260-G262 PolarHBondContact SG-N 3.13Å; C260-G262 VanDerWaalsContact SG-N 3.38Å |
| 263 | Y | 93.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 156.5 | 175.1 | 69.9 | -82.7 | 0 | 0 | 0 | 112 | H227 V228 P253 R261 | H227-Y263 AromaticContact NE2-CD2 3.38Å; H227-Y263 WeakPolarHBondContact NE2-CD2 3.44Å; H227-Y263 AromaticContact NE2-CG 3.98Å; V228-Y263 CarbonylContact O-C 3.59Å; V228-Y263 WeakPolarHBondContact O-CA 3.4Å; V228-Y263 WeakPolarHBondContact O-CB 3.44Å; P253-Y263 WeakPolarHBondContact CD-O 3.14Å; P253-Y263 HydrophobicContact CG-CE2 3.73Å; R261-Y263 HydrophobicContact CB-CD1 4.11Å; R261-Y263 HydrophobicContact CB-CE1 3.79Å |
| 264 | C | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.2 | 171.4 | 79.6 | 0 | 0 | 0 | 0 | 111.4 | H227 V228 L231 L240 R251 M252 | H227-C264 WeakPolarHBondContact CA-O 3.44Å; H227-C264 PolarHBondContact CD2-O 3.39Å; V228-C264 VanDerWaalsContact CB-SG 3.6Å; V228-C264 PolarHBondContact N-O 3.33Å; V228-C264 PolarHBondContact O-N 2.66Å; L231-C264 HydrophobicContact CD1-CB 3.94Å; L240-C264 HydrophobicContact CD1-CB 3.86Å; R251-C264 CarbonylContact O-C 3.42Å; R251-C264 VanDerWaalsContact O-CA 3.32Å; R251-C264 WeakPolarHBondContact O-CA 3.44Å; R251-C264 WeakPolarHBondContact O-CB 3.44Å; M252-C264 HydrophobicContact CB-CB 4.03Å; M252-C264 HydrophobicContact CG-CB 4.22Å |
| 265 | T | 96.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 48.5 Ų | 48.5 | 13% | 0.129 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.8 | 172.2 | -51.1 | 0 | 0 | 0 | 0 | 108.9 | L226 R251 L296 | L226-T265 CarbonylContact O-C 3.56Å; L226-T265 WeakPolarHBondContact O-CA 3.42Å; R251-T265 PolarHBondContact N-O 2.89Å; R251-T265 PolarHBondContact O-N 2.89Å; T265-L296 HydrophobicContact CG2-CD1 4.21Å; T265-L296 HydrophobicContact CG2-CD2 3.84Å |
| 266 | L | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.8 | 177.3 | -54.2 | 175.1 | 0 | 0 | 0 | 108.7 | S225 L226 V228 F244 A247 G249 I250 Y268 | S225-L266 CarbonylContact C-O 3.48Å; S225-L266 WeakPolarHBondContact CA-O 3.38Å; L226-L266 HydrophobicContact CB-CB 4.26Å; L226-L266 HydrophobicContact CB-CD1 4.4Å; L226-L266 PolarHBondContact N-O 2.93Å; L226-L266 PolarHBondContact O-N 2.92Å; V228-L266 HydrophobicContact CG2-CD1 3.54Å; V228-L266 HydrophobicContact CG2-CG 4.04Å; F244-L266 HydrophobicContact CB-CD1 3.96Å; F244-L266 HydrophobicContact CD1-CD1 3.55Å; F244-L266 HydrophobicContact CD2-CD1 3.58Å; F244-L266 HydrophobicContact CE1-CD1 3.82Å; F244-L266 HydrophobicContact CE2-CD1 3.87Å; F244-L266 HydrophobicContact CG-CD1 3.41Å; F244-L266 VanDerWaalsContact CG-CD1 3.41Å; F244-L266 HydrophobicContact CZ-CD1 3.98Å; A247-L266 HydrophobicContact CB-CB 4.34Å; A247-L266 HydrophobicContact CB-CD2 4.27Å; G249-L266 WeakPolarHBondContact O-CA 3.35Å; I250-L266 HydrophobicContact CB-CD2 4.2Å; I250-L266 HydrophobicContact CD1-CD2 4.42Å; I250-L266 HydrophobicContact CG1-CD2 3.79Å; I250-L266 HydrophobicContact CG2-CD2 3.93Å; L266-Y268 HydrophobicContact CB-CE2 3.73Å; L266-Y268 HydrophobicContact CD1-CE2 4.41Å |
| 267 | T | 97.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 36% | 0.362 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.4 | 175.8 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | V248 G249 | V248-T267 WeakPolarHBondContact CB-O 3.3Å; V248-T267 PolarHBondContact N-O 3.31Å; G249-T267 VanDerWaalsContact CA-OG1 3.28Å; G249-T267 WeakPolarHBondContact CA-OG1 3.37Å; G249-T267 PolarHBondContact N-O 2.93Å; G249-T267 PolarHBondContact N-OG1 2.91Å; G249-T267 PolarHBondContact O-N 3.45Å; G249-T267 PolarHBondContact O-OG1 3.11Å |
| 268 | Y | 97.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | trans | -115.7 | 156.6 | -177.2 | -67.8 | -95.2 | 0 | 0 | 0 | 112.8 | R224 L226 F244 K246 A247 L266 A274 D277 | R224-Y268 PolarHBondContact NE-O 2.94Å; R224-Y268 PolarHBondContact NH2-O 2.85Å; R224-Y268 WeakPolarHBondContact O-CB 3.49Å; R224-Y268 PolarHBondContact O-N 3.42Å; L226-Y268 HydrophobicContact CB-CE2 4.21Å; L226-Y268 HydrophobicContact CD1-CD2 4.48Å; L226-Y268 HydrophobicContact CD1-CE2 3.56Å; L226-Y268 HydrophobicContact CG-CD2 4.31Å; L226-Y268 HydrophobicContact CG-CE2 3.72Å; F244-Y268 WeakPolarHBondContact CD1-OH 3.19Å; K246-Y268 HydrophobicContact CB-CE1 4.28Å; A247-Y268 HydrophobicContact CB-CE1 4.22Å; L266-Y268 HydrophobicContact CB-CE2 3.73Å; L266-Y268 HydrophobicContact CD1-CE2 4.41Å; Y268-A274 HydrophobicContact CD2-CB 3.78Å; Y268-A274 HydrophobicContact CE2-CB 4.39Å; Y268-A274 HydrophobicContact CG-CB 3.99Å; Y268-D277 HydrophobicContact CE1-CB 4.46Å; Y268-D277 WeakPolarHBondContact CE1-OD2 3.23Å; Y268-D277 VanDerWaalsContact CZ-OD2 3.25Å; Y268-D277 WeakPolarHBondContact OH-CB 3.46Å; Y268-D277 PolarHBondContact OH-OD2 3.05Å | ||
| 269 | H | 96 | Very high | 94.1 | Very high | 150 Ų | 150 | 36 Ų | 36 | 69% | 0.694 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -71.4 | -32.5 | 175.8 | -154.5 | 70.5 | 0 | 0 | 0 | 112.2 | R224 V248 | R224-H269 PolarHBondContact NE-O 3.41Å; R224-H269 PolarHBondContact NH2-O 2.9Å; V248-H269 HydrophobicContact CG2-CB 4.02Å |
| 270 | S | 95.2 | Very high | 94.2 | Very high | 52 Ų | 52 | 37 Ų | 37 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | trans | -134.3 | 151 | -178 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | H272 T273 A274 | S270-H272 VanDerWaalsContact C-N 3.26Å; S270-H272 PolarHBondContact O-N 3.09Å; S270-H272 PolarHBondContact OG-N 3.15Å; S270-T273 PolarHBondContact N-OG1 3.27Å; S270-T273 PolarHBondContact O-N 3.33Å; S270-T273 PolarHBondContact O-OG1 3.47Å; S270-A274 PolarHBondContact O-N 2.97Å | ||
| 271 | R | 94.2 | Very high | 94.4 | Very high | 87 Ų | 87 | 37.8 Ų | 37.8 | 33% | 0.328 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.6 | -41.2 | 169.6 | 172.7 | 174.5 | -175.7 | -163.6 | -4.5 | 111.4 | D111 M223 T273 A274 L275 | D111-R271 IonicContact OD1-CZ 3.91Å; D111-R271 IonicContact OD1-NH1 3.85Å; D111-R271 PolarHBondContact OD1-NH1 3.02Å; D111-R271 IonicContact OD1-NH2 3.77Å; D111-R271 PolarHBondContact OD1-NH2 3.25Å; D111-R271 IonicContact OD2-NH1 3.42Å; D111-R271 IonicContact OD2-NH2 3.99Å; M223-R271 HydrophobicContact CB-CB 4.41Å; M223-R271 HydrophobicContact CB-CG 3.93Å; M223-R271 WeakPolarHBondContact O-CA 3.49Å; R271-T273 VanDerWaalsContact C-N 3.33Å; R271-T273 PolarHBondContact O-N 3.25Å; R271-A274 PolarHBondContact O-N 3.18Å; R271-L275 WeakPolarHBondContact O-CB 3.32Å; R271-L275 PolarHBondContact O-N 3.42Å |
| 272 | H | 93.4 | Very high | 94.6 | Very high | 113 Ų | 113 | 36.4 Ų | 36.4 | 52% | 0.523 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.9 | -39.8 | -178.5 | -177.8 | 76.1 | 0 | 0 | 0 | 112.1 | S270 L275 K276 | S270-H272 VanDerWaalsContact C-N 3.26Å; S270-H272 PolarHBondContact O-N 3.09Å; S270-H272 PolarHBondContact OG-N 3.15Å; H272-L275 PolarHBondContact O-N 3.35Å; H272-K276 PolarHBondContact O-N 3.07Å |
| 273 | T | 94.4 | Very high | 94.6 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67 | -38.1 | 175.9 | 46.6 | 0 | 0 | 0 | 0 | 112.6 | S270 R271 D277 | S270-T273 PolarHBondContact N-OG1 3.27Å; S270-T273 PolarHBondContact O-N 3.33Å; S270-T273 PolarHBondContact O-OG1 3.47Å; R271-T273 VanDerWaalsContact C-N 3.33Å; R271-T273 PolarHBondContact O-N 3.25Å; T273-D277 PolarHBondContact O-N 3.42Å |
| 274 | A | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L226 Y268 S270 R271 K276 D277 F278 F295 | L226-A274 HydrophobicContact CD2-CB 4.34Å; L226-A274 HydrophobicContact CG-CB 4.31Å; Y268-A274 HydrophobicContact CD2-CB 3.78Å; Y268-A274 HydrophobicContact CE2-CB 4.39Å; Y268-A274 HydrophobicContact CG-CB 3.99Å; S270-A274 PolarHBondContact O-N 2.97Å; R271-A274 PolarHBondContact O-N 3.18Å; A274-K276 PolarHBondContact O-N 3.23Å; A274-D277 PolarHBondContact O-N 2.55Å; A274-F278 VanDerWaalsContact O-CB 3.3Å; A274-F278 WeakPolarHBondContact O-CB 3.36Å; A274-F278 PolarHBondContact O-N 2.92Å; A274-F295 HydrophobicContact CB-CE1 4.02Å |
| 275 | L | 94.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 10% | 0.099 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176 | 179.5 | 61.7 | 0 | 0 | 0 | 112 | L108 L114 R271 H272 D277 F278 E279 F295 | L108-L275 HydrophobicContact CB-CD1 4.39Å; L108-L275 HydrophobicContact CD1-CD1 4.39Å; L114-L275 HydrophobicContact CD1-CD1 3.41Å; L114-L275 VanDerWaalsContact CD1-CD1 3.41Å; L114-L275 HydrophobicContact CD2-CD1 4.21Å; L114-L275 HydrophobicContact CG-CD1 4.38Å; R271-L275 WeakPolarHBondContact O-CB 3.32Å; R271-L275 PolarHBondContact O-N 3.42Å; H272-L275 PolarHBondContact O-N 3.35Å; L275-D277 VanDerWaalsContact C-N 3.35Å; L275-D277 PolarHBondContact O-N 3.18Å; L275-F278 HydrophobicContact CD1-CD1 4.42Å; L275-F278 WeakPolarHBondContact O-CB 3.41Å; L275-F278 PolarHBondContact O-N 3.23Å; L275-E279 PolarHBondContact O-N 3.04Å; L275-F295 HydrophobicContact CD1-CZ 4.44Å |
| 276 | K | 93.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 38.7 Ų | 38.7 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 177.3 | -178.2 | 165.1 | -174.3 | 163.1 | 0 | 112.5 | Y104 H272 A274 L280 | Y104-K276 HydrophobicContact CD1-CD 4.26Å; Y104-K276 HydrophobicContact CD1-CG 4.47Å; Y104-K276 HydrophobicContact CD2-CG 4.24Å; Y104-K276 HydrophobicContact CE1-CD 4.09Å; Y104-K276 HydrophobicContact CE1-CG 4.08Å; Y104-K276 HydrophobicContact CE2-CB 4.35Å; Y104-K276 HydrophobicContact CE2-CG 3.81Å; Y104-K276 WeakPolarHBondContact OH-CA 3.33Å; H272-K276 PolarHBondContact O-N 3.07Å; A274-K276 PolarHBondContact O-N 3.23Å; K276-L280 WeakPolarHBondContact O-CB 3.29Å; K276-L280 PolarHBondContact O-N 3.47Å |
| 277 | D | 94.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.2 | -33.2 | 178 | -78.4 | -2 | 0 | 0 | 0 | 111.9 | L226 F244 Y268 T273 A274 L275 E279 K281 | L226-D277 HydrophobicContact CD1-CB 3.92Å; F244-D277 HydrophobicContact CD1-CB 4.17Å; F244-D277 HydrophobicContact CE1-CB 4.38Å; Y268-D277 HydrophobicContact CE1-CB 4.46Å; Y268-D277 WeakPolarHBondContact CE1-OD2 3.23Å; Y268-D277 VanDerWaalsContact CZ-OD2 3.25Å; Y268-D277 WeakPolarHBondContact OH-CB 3.46Å; Y268-D277 PolarHBondContact OH-OD2 3.05Å; T273-D277 PolarHBondContact O-N 3.42Å; A274-D277 PolarHBondContact O-N 2.55Å; L275-D277 VanDerWaalsContact C-N 3.35Å; L275-D277 PolarHBondContact O-N 3.18Å; D277-E279 PolarHBondContact O-N 3.02Å; D277-K281 HydrophobicContact CB-CG 4.16Å; D277-K281 VanDerWaalsContact O-CB 3.23Å; D277-K281 WeakPolarHBondContact O-CB 3.26Å; D277-K281 PolarHBondContact O-N 3.39Å |
| 278 | F | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 173.2 | 170.5 | -88.8 | 0 | 0 | 0 | 112.5 | L108 L114 A117 I118 R121 L226 A274 L275 M294 F295 | L108-F278 HydrophobicContact CD1-CD1 4.11Å; L108-F278 HydrophobicContact CD1-CE1 3.75Å; L114-F278 HydrophobicContact CD1-CD1 4.4Å; L114-F278 HydrophobicContact CD1-CE1 4.14Å; A117-F278 HydrophobicContact CB-CE1 4.4Å; I118-F278 HydrophobicContact CB-CZ 4.5Å; I118-F278 HydrophobicContact CG1-CE1 4.45Å; I118-F278 HydrophobicContact CG1-CE2 3.91Å; I118-F278 HydrophobicContact CG1-CZ 3.61Å; R121-F278 VanDerWaalsContact NH1-CD2 3.32Å; R121-F278 PolarHBondContact NH1-O 3.13Å; R121-F278 PolarHBondContact NH2-O 3.35Å; L226-F278 HydrophobicContact CD2-CB 4.1Å; L226-F278 HydrophobicContact CD2-CD2 4.43Å; A274-F278 VanDerWaalsContact O-CB 3.3Å; A274-F278 WeakPolarHBondContact O-CB 3.36Å; A274-F278 PolarHBondContact O-N 2.92Å; L275-F278 HydrophobicContact CD1-CD1 4.42Å; L275-F278 WeakPolarHBondContact O-CB 3.41Å; L275-F278 PolarHBondContact O-N 3.23Å; F278-M294 HydrophobicContact CD2-CE 4.38Å; F278-M294 HydrophobicContact CE2-CE 3.35Å; F278-M294 HydrophobicContact CZ-CE 3.94Å; F278-F295 HydrophobicContact CB-CE2 3.92Å; F278-F295 HydrophobicContact CB-CZ 4.07Å; F278-F295 AromaticContact CD1-CE2 4Å; F278-F295 HydrophobicContact CD1-CE2 4Å; F278-F295 AromaticContact CD2-CD2 3.54Å; F278-F295 HydrophobicContact CD2-CD2 3.54Å; F278-F295 AromaticContact CD2-CE2 3.43Å; F278-F295 HydrophobicContact CD2-CE2 3.43Å; F278-F295 VanDerWaalsContact CD2-CE2 3.43Å; F278-F295 HydrophobicContact CD2-CZ 4.34Å; F278-F295 HydrophobicContact CE1-CE2 4.38Å; F278-F295 AromaticContact CE2-CD2 3.65Å; F278-F295 HydrophobicContact CE2-CD2 3.65Å; F278-F295 AromaticContact CE2-CE2 3.81Å; F278-F295 HydrophobicContact CE2-CE2 3.81Å; F278-F295 HydrophobicContact CG-CD2 4.13Å; F278-F295 AromaticContact CG-CE2 3.52Å; F278-F295 HydrophobicContact CG-CE2 3.52Å; F278-F295 HydrophobicContact CG-CZ 4.18Å; F278-F295 HydrophobicContact CZ-CD2 4.39Å; F278-F295 HydrophobicContact CZ-CE2 4.31Å |
| 279 | E | 92.9 | Very high | 93.2 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.6 | -54.5 | 175.2 | -72.9 | -174.3 | -142.8 | 0 | 0 | 110.2 | R101 Y104 S107 L108 L275 D277 | R101-E279 PolarHBondContact NH1-O 3.31Å; R101-E279 PolarHBondContact NH2-O 2.9Å; Y104-E279 HydrophobicContact CE2-CB 4.17Å; S107-E279 PolarHBondContact N-OE2 3.14Å; S107-E279 VanDerWaalsContact N-OE2 3.09Å; S107-E279 PolarHBondContact OG-OE2 2.86Å; L108-E279 VanDerWaalsContact CB-OE1 3.26Å; L108-E279 WeakPolarHBondContact CB-OE1 3.37Å; L108-E279 HydrophobicContact CD1-CG 3.61Å; L108-E279 HydrophobicContact CG-CG 4.07Å; L108-E279 WeakPolarHBondContact CG-OE1 3.44Å; L108-E279 PolarHBondContact N-OE1 3.28Å; L275-E279 PolarHBondContact O-N 3.04Å; D277-E279 PolarHBondContact O-N 3.02Å |
| 280 | L | 92 | Very high | 93 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -76.8 | -34.8 | -165.7 | -173.3 | 60.1 | 0 | 0 | 0 | 114.5 | R101 K276 | R101-L280 HydrophobicContact CB-CD1 4.19Å; R101-L280 VanDerWaalsContact NH1-C 3.28Å; R101-L280 VanDerWaalsContact NH1-CA 3.31Å; R101-L280 PolarHBondContact NH1-O 3.41Å; K276-L280 WeakPolarHBondContact O-CB 3.29Å; K276-L280 PolarHBondContact O-N 3.47Å |
| 281 | K | 93.6 | Very high | 93 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -99.7 | -7.5 | -168.1 | -55.8 | -68.6 | 179.3 | 158 | 0 | 113.9 | L98 V243 F244 D277 G283 T284 V293 | L98-K281 HydrophobicContact CD2-CD 3.78Å; V243-K281 HydrophobicContact CG1-CB 4.45Å; V243-K281 HydrophobicContact CG1-CD 4.01Å; V243-K281 HydrophobicContact CG1-CG 4.48Å; V243-K281 WeakPolarHBondContact O-CE 3.43Å; V243-K281 PolarHBondContact O-NZ 3.44Å; F244-K281 HydrophobicContact CD1-CB 4.32Å; F244-K281 HydrophobicContact CD1-CG 4.1Å; F244-K281 HydrophobicContact CE1-CB 3.49Å; F244-K281 VanDerWaalsContact CE1-CB 3.49Å; F244-K281 HydrophobicContact CE1-CG 3.77Å; F244-K281 HydrophobicContact CZ-CB 3.96Å; D277-K281 HydrophobicContact CB-CG 4.16Å; D277-K281 VanDerWaalsContact O-CB 3.23Å; D277-K281 WeakPolarHBondContact O-CB 3.26Å; D277-K281 PolarHBondContact O-N 3.39Å; K281-G283 PolarHBondContact O-N 3.18Å; K281-T284 WeakPolarHBondContact O-CB 3.21Å; K281-T284 PolarHBondContact O-N 3.14Å; K281-T284 PolarHBondContact O-OG1 2.91Å; K281-V293 HydrophobicContact CB-CG2 4.35Å |
| 282 | H | 93.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 32 Ų | 32 | 13% | 0.125 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 132.4 | 172.3 | 178.7 | 46.1 | 0 | 0 | 0 | 111 | P99 R121 T284 Y292 V293 | P99-H282 WeakPolarHBondContact CG-O 3.46Å; R121-H282 PolarHBondContact NE-CD2 3.48Å; R121-H282 VanDerWaalsContact NE-CD2 3.3Å; H282-T284 VanDerWaalsContact C-N 3.33Å; H282-Y292 AromaticContact CE1-CD1 3.44Å; H282-Y292 VanDerWaalsContact CE1-CD1 3.44Å; H282-Y292 WeakPolarHBondContact CE1-CD1 3.48Å; H282-Y292 AromaticContact CE1-CE1 3.59Å; H282-Y292 AromaticContact CE1-CG 3.77Å; H282-V293 HydrophobicContact CB-CB 4.32Å |
| 283 | G | 92.2 | Very high | 93 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 24% | 0.237 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 4.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K281 F285 I291 | K281-G283 PolarHBondContact O-N 3.18Å; G283-F285 WeakPolarHBondContact O-CD2 3.37Å; G283-F285 PolarHBondContact O-N 3.48Å; G283-I291 PolarHBondContact N-O 3Å |
| 284 | T | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -57.1 | 134.2 | 172.2 | -59.1 | 0 | 0 | 0 | 0 | 110 | V96 V97 L98 P99 V243 K281 H282 I286 I291 | V96-T284 HydrophobicContact CG1-CG2 4.23Å; V97-T284 WeakPolarHBondContact O-CG2 3.45Å; L98-T284 HydrophobicContact CD2-CG2 3.86Å; P99-T284 WeakPolarHBondContact CD-OG1 3.13Å; V243-T284 HydrophobicContact CG1-CG2 4.04Å; V243-T284 HydrophobicContact CG2-CG2 4.1Å; K281-T284 WeakPolarHBondContact O-CB 3.21Å; K281-T284 PolarHBondContact O-N 3.14Å; K281-T284 PolarHBondContact O-OG1 2.91Å; H282-T284 VanDerWaalsContact C-N 3.33Å; T284-I286 HydrophobicContact CG2-CG1 4.26Å; T284-I291 HydrophobicContact CG2-CD1 4.37Å; T284-I291 WeakPolarHBondContact O-CG1 3.48Å; T284-I291 PolarHBondContact O-N 3.03Å | ||
| 285 | F | 92.5 | Very high | 93.1 | Very high | 95 Ų | 95 | 25.5 Ų | 25.5 | 42% | 0.417 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126.9 | 173.3 | -69.7 | -98.3 | 0 | 0 | 0 | 109.6 | V96 V97 G283 E289 | V96-F285 WeakPolarHBondContact CA-O 3.46Å; V97-F285 HydrophobicContact CB-CB 4.17Å; V97-F285 PolarHBondContact N-O 2.87Å; V97-F285 PolarHBondContact O-N 3.45Å; G283-F285 WeakPolarHBondContact O-CD2 3.37Å; G283-F285 PolarHBondContact O-N 3.48Å; F285-E289 CarbonylContact C-O 3.57Å; F285-E289 VanDerWaalsContact CA-O 3.3Å; F285-E289 WeakPolarHBondContact CA-O 3.32Å |
| 286 | I | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.1 | 170.9 | -55.9 | -176.3 | 0 | 0 | 0 | 106.2 | S95 V96 L231 P232 T235 D239 L240 V243 T284 G288 E289 I291 | S95-I286 CarbonylContact O-C 3.56Å; S95-I286 WeakPolarHBondContact O-CA 3.44Å; V96-I286 HydrophobicContact CG2-CG2 4.5Å; L231-I286 HydrophobicContact CD2-CD1 4.17Å; P232-I286 HydrophobicContact CG-CB 4.46Å; P232-I286 WeakPolarHBondContact CG-O 3.44Å; T235-I286 HydrophobicContact CG2-CG2 4.13Å; D239-I286 HydrophobicContact CB-CG2 4.27Å; L240-I286 HydrophobicContact CD2-CD1 4.32Å; V243-I286 HydrophobicContact CG2-CD1 3.97Å; V243-I286 HydrophobicContact CG2-CG1 4.3Å; T284-I286 HydrophobicContact CG2-CG1 4.26Å; I286-G288 PolarHBondContact O-N 2.96Å; I286-E289 PolarHBondContact N-O 3.31Å; I286-E289 PolarHBondContact O-N 3.48Å; I286-I291 HydrophobicContact CB-CG2 4.32Å; I286-I291 HydrophobicContact CD1-CD1 3.99Å; I286-I291 HydrophobicContact CD1-CG2 3.9Å; I286-I291 HydrophobicContact CG1-CD1 4.48Å; I286-I291 HydrophobicContact CG1-CG2 3.96Å |
| 287 | H | 91 | Very high | 92.9 | Very high | 76 Ų | 76 | 26.8 Ų | 26.8 | 35% | 0.352 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 35.6 | -174.9 | -57.4 | -73.5 | 0 | 0 | 0 | 113.4 | S95 P232 A234 D239 E289 | S95-H287 PolarHBondContact O-N 2.9Å; S95-H287 VanDerWaalsContact OG-CA 3.24Å; S95-H287 WeakPolarHBondContact OG-CA 3.41Å; S95-H287 PolarHBondContact OG-CE1 2.88Å; S95-H287 PolarHBondContact OG-N 3.16Å; S95-H287 PolarHBondContact OG-ND1 3.01Å; P232-H287 HydrophobicContact CB-CB 4.07Å; P232-H287 HydrophobicContact CG-CB 3.85Å; A234-H287 PolarHBondContact O-NE2 3.12Å; D239-H287 IonicContact OD2-CD2 3.33Å; D239-H287 IonicContact OD2-CE1 3.64Å; D239-H287 IonicContact OD2-NE2 3.71Å; D239-H287 PolarHBondContact OD2-NE2 3.16Å; H287-E289 VanDerWaalsContact C-N 3.33Å; H287-E289 PolarHBondContact O-N 3.08Å |
| 288 | G | 87.8 | Confident | 92.6 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 60% | 0.598 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 0.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I286 | I286-G288 PolarHBondContact O-N 2.96Š|
| 289 | E | 88.6 | Confident | 91.5 | Very high | 38 Ų | 38 | 38 Ų | 38 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.7 | 174.8 | -55.4 | 178.8 | -159.9 | 0 | 0 | 111.2 | V152 P232 F285 I286 H287 | V152-E289 HydrophobicContact CG1-CB 3.8Å; V152-E289 HydrophobicContact CG1-CG 3.74Å; P232-E289 HydrophobicContact CB-CG 4.49Å; P232-E289 HydrophobicContact CG-CB 3.91Å; P232-E289 HydrophobicContact CG-CG 4.05Å; F285-E289 CarbonylContact C-O 3.57Å; F285-E289 VanDerWaalsContact CA-O 3.3Å; F285-E289 WeakPolarHBondContact CA-O 3.32Å; I286-E289 PolarHBondContact N-O 3.31Å; I286-E289 PolarHBondContact O-N 3.48Å; H287-E289 VanDerWaalsContact C-N 3.33Å; H287-E289 PolarHBondContact O-N 3.08Å |
| 290 | S | 92.2 | Very high | 89.7 | Confident | 31 Ų | 31 | 42 Ų | 42 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 131.4 | 176.9 | 60.3 | 0 | 0 | 0 | 0 | 112.3 | K168 | K168-S290 PolarHBondContact NZ-OG 3.19Å |
| 291 | I | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 147.4 | -179 | 76.3 | -175.6 | 0 | 0 | 0 | 112.2 | V228 L231 V243 F244 G283 T284 I286 V293 | V228-I291 HydrophobicContact CG1-CB 4.05Å; V228-I291 HydrophobicContact CG1-CD1 3.9Å; V228-I291 HydrophobicContact CG1-CG1 4.21Å; L231-I291 HydrophobicContact CD2-CB 4.36Å; L231-I291 HydrophobicContact CD2-CG2 3.71Å; V243-I291 HydrophobicContact CG1-CD1 4.48Å; F244-I291 HydrophobicContact CE2-CD1 4.14Å; F244-I291 HydrophobicContact CZ-CD1 4Å; G283-I291 PolarHBondContact N-O 3Å; T284-I291 HydrophobicContact CG2-CD1 4.37Å; T284-I291 WeakPolarHBondContact O-CG1 3.48Å; T284-I291 PolarHBondContact O-N 3.03Å; I286-I291 HydrophobicContact CB-CG2 4.32Å; I286-I291 HydrophobicContact CD1-CD1 3.99Å; I286-I291 HydrophobicContact CD1-CG2 3.9Å; I286-I291 HydrophobicContact CG1-CD1 4.48Å; I286-I291 HydrophobicContact CG1-CG2 3.96Å; I291-V293 HydrophobicContact CD1-CG2 4.26Å; I291-V293 HydrophobicContact CG1-CG2 4.23Å |
| 292 | Y | 93.4 | Very high | 84.9 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.8 | 168.2 | -83.3 | -111.6 | 0 | 0 | 0 | 110 | R121 E124 M125 H128 V228 L229 H230 H282 | R121-Y292 HydrophobicContact CG-CD1 4.04Å; R121-Y292 HydrophobicContact CG-CE1 4.19Å; E124-Y292 PolarHBondContact OE1-OH 3Å; M125-Y292 HydrophobicContact CB-CD1 3.94Å; M125-Y292 HydrophobicContact CB-CE1 3.88Å; M125-Y292 HydrophobicContact CG-CD1 4.2Å; M125-Y292 HydrophobicContact CG-CE1 4.46Å; H128-Y292 PolarHBondContact ND1-OH 3.47Å; V228-Y292 CarbonylContact C-O 3.59Å; V228-Y292 VanDerWaalsContact CA-O 3.24Å; V228-Y292 WeakPolarHBondContact CA-O 3.37Å; V228-Y292 WeakPolarHBondContact CG1-O 3.18Å; L229-Y292 PolarHBondContact N-O 2.76Å; L229-Y292 PolarHBondContact O-N 3.46Å; H230-Y292 AromaticContact CD2-CD2 3.44Å; H230-Y292 VanDerWaalsContact CD2-CD2 3.44Å; H230-Y292 WeakPolarHBondContact CD2-CD2 3.42Å; H230-Y292 AromaticContact CD2-CG 3.85Å; H282-Y292 AromaticContact CE1-CD1 3.44Å; H282-Y292 VanDerWaalsContact CE1-CD1 3.44Å; H282-Y292 WeakPolarHBondContact CE1-CD1 3.48Å; H282-Y292 AromaticContact CE1-CE1 3.59Å; H282-Y292 AromaticContact CE1-CG 3.77Å |
| 293 | V | 95.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.9 | 176.6 | -178 | 0 | 0 | 0 | 0 | 107.3 | R121 L226 V228 F244 K281 H282 I291 | R121-V293 WeakPolarHBondContact CD-O 3.25Å; R121-V293 PolarHBondContact NH1-O 2.92Å; L226-V293 HydrophobicContact CB-CG1 4.29Å; L226-V293 HydrophobicContact CD1-CG1 3.73Å; L226-V293 HydrophobicContact CD2-CG1 4.48Å; L226-V293 HydrophobicContact CG-CG1 4.4Å; V228-V293 HydrophobicContact CG1-CG2 4.47Å; V228-V293 HydrophobicContact CG2-CG2 4.43Å; F244-V293 HydrophobicContact CE1-CG1 4.49Å; F244-V293 HydrophobicContact CE1-CG2 4.21Å; F244-V293 HydrophobicContact CZ-CG2 3.82Å; K281-V293 HydrophobicContact CB-CG2 4.35Å; H282-V293 HydrophobicContact CB-CB 4.32Å; I291-V293 HydrophobicContact CD1-CG2 4.26Å; I291-V293 HydrophobicContact CG1-CG2 4.23Å |
| 294 | M | 94.8 | Very high | 79.4 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.9 | -177.5 | -62.6 | -85.9 | 40.1 | 0 | 0 | 111 | I118 R121 L122 L226 H227 F278 | I118-M294 HydrophobicContact CG2-CE 4.42Å; R121-M294 HydrophobicContact CB-CE 3.76Å; R121-M294 HydrophobicContact CB-SD 3.82Å; R121-M294 HydrophobicContact CG-CE 3.92Å; R121-M294 HydrophobicContact CG-SD 3.66Å; L122-M294 HydrophobicContact CD2-SD 4Å; L122-M294 HydrophobicContact CG-SD 4.16Å; L226-M294 CarbonylContact C-O 3.52Å; L226-M294 WeakPolarHBondContact CA-O 3.48Å; H227-M294 PolarHBondContact N-O 3.26Å; H227-M294 PolarHBondContact O-N 3.23Å; F278-M294 HydrophobicContact CD2-CE 4.38Å; F278-M294 HydrophobicContact CE2-CE 3.35Å; F278-M294 HydrophobicContact CZ-CE 3.94Å |
| 295 | F | 95.9 | Very high | 76.7 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 2% | 0.022 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 142.3 | 166.4 | -75 | -81.6 | 0 | 0 | 0 | 109.9 | L114 I118 F221 D222 M223 L226 A274 L275 F278 L297 | L114-F295 HydrophobicContact CD1-CE2 3.94Å; I118-F295 HydrophobicContact CD1-CD2 3.52Å; I118-F295 HydrophobicContact CD1-CE2 4.03Å; I118-F295 HydrophobicContact CD1-CG 4.38Å; I118-F295 HydrophobicContact CG1-CD2 3.85Å; I118-F295 HydrophobicContact CG1-CE2 4.36Å; F221-F295 HydrophobicContact CB-CB 4Å; F221-F295 HydrophobicContact CD1-CB 4.03Å; F221-F295 HydrophobicContact CG-CB 4.29Å; D222-F295 WeakPolarHBondContact O-CD1 3.43Å; M223-F295 HydrophobicContact CE-CG 4.44Å; M223-F295 WeakPolarHBondContact O-CE1 3.41Å; M223-F295 HydrophobicContact SD-CD1 4.47Å; M223-F295 HydrophobicContact SD-CE1 4.44Å; L226-F295 HydrophobicContact CD2-CD1 3.62Å; L226-F295 HydrophobicContact CD2-CD2 4.45Å; L226-F295 HydrophobicContact CD2-CE1 3.69Å; L226-F295 HydrophobicContact CD2-CE2 4.49Å; L226-F295 HydrophobicContact CD2-CG 4.05Å; L226-F295 HydrophobicContact CD2-CZ 4.14Å; A274-F295 HydrophobicContact CB-CE1 4.02Å; L275-F295 HydrophobicContact CD1-CZ 4.44Å; F278-F295 HydrophobicContact CB-CE2 3.92Å; F278-F295 HydrophobicContact CB-CZ 4.07Å; F278-F295 AromaticContact CD1-CE2 4Å; F278-F295 HydrophobicContact CD1-CE2 4Å; F278-F295 AromaticContact CD2-CD2 3.54Å; F278-F295 HydrophobicContact CD2-CD2 3.54Å; F278-F295 AromaticContact CD2-CE2 3.43Å; F278-F295 HydrophobicContact CD2-CE2 3.43Å; F278-F295 VanDerWaalsContact CD2-CE2 3.43Å; F278-F295 HydrophobicContact CD2-CZ 4.34Å; F278-F295 HydrophobicContact CE1-CE2 4.38Å; F278-F295 AromaticContact CE2-CD2 3.65Å; F278-F295 HydrophobicContact CE2-CD2 3.65Å; F278-F295 AromaticContact CE2-CE2 3.81Å; F278-F295 HydrophobicContact CE2-CE2 3.81Å; F278-F295 HydrophobicContact CG-CD2 4.13Å; F278-F295 AromaticContact CG-CE2 3.52Å; F278-F295 HydrophobicContact CG-CE2 3.52Å; F278-F295 HydrophobicContact CG-CZ 4.18Å; F278-F295 HydrophobicContact CZ-CD2 4.39Å; F278-F295 HydrophobicContact CZ-CE2 4.31Å; F295-L297 PolarHBondContact O-N 3.17Å |
| 296 | L | 94.1 | Very high | 74.2 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 25% | 0.251 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 129.3 | 178.8 | -177.9 | 69 | 0 | 0 | 0 | 109.5 | F221 D222 S225 H227 T265 | F221-L296 CarbonylContact C-O 3.56Å; F221-L296 WeakPolarHBondContact CA-O 3.43Å; D222-L296 HydrophobicContact CB-CB 4.43Å; D222-L296 PolarHBondContact N-O 2.62Å; S225-L296 PolarHBondContact O-N 3.49Å; H227-L296 HydrophobicContact CB-CD1 4.05Å; T265-L296 HydrophobicContact CG2-CD1 4.21Å; T265-L296 HydrophobicContact CG2-CD2 3.84Å |
| 297 | L | 90.4 | Very high | 71.7 | Confident | 58 Ų | 58 | 82 Ų | 82 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.8 | 172.8 | -161.4 | 70.6 | 0 | 0 | 0 | 109.7 | R216 D220 F221 F295 N299 | R216-L297 VanDerWaalsContact CZ-CD2 3.48Å; R216-L297 VanDerWaalsContact NH1-CD2 3.27Å; D220-L297 HydrophobicContact CB-CD1 3.94Å; D220-L297 WeakPolarHBondContact O-CD1 3.35Å; F221-L297 HydrophobicContact CD1-CD1 3.87Å; F221-L297 HydrophobicContact CE1-CD1 3.74Å; F221-L297 HydrophobicContact CG-CD1 4.43Å; F221-L297 HydrophobicContact CZ-CD1 4.19Å; F295-L297 PolarHBondContact O-N 3.17Å; L297-N299 PolarHBondContact O-N 3.14Å |
| 298 | K | 88.1 | Confident | 69.6 | Low | 105 Ų | 105 | 81.6 Ų | 81.6 | 46% | 0.457 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 126.5 | 170.1 | -64.5 | 179.1 | -172.2 | 145.8 | 0 | 107.8 | S219 D220 F221 D222 P300 | S219-K298 WeakPolarHBondContact O-CD 3.33Å; S219-K298 PolarHBondContact O-NZ 3.16Å; D220-K298 WeakPolarHBondContact O-CB 3.3Å; D220-K298 PolarHBondContact O-N 3.49Å; F221-K298 WeakPolarHBondContact O-CE 3.33Å; F221-K298 PolarHBondContact O-NZ 3.04Å; D222-K298 HydrophobicContact CB-CG 4.18Å; K298-P300 WeakPolarHBondContact O-CD 3.45Å |
| 299 | N | 71.4 | Confident | 67.5 | Low | 137 Ų | 137 | 86.1 Ų | 86.1 | 73% | 0.733 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 124.8 | 168.2 | -72.3 | -29 | 0 | 0 | 0 | 108.1 | L297 K301 | L297-N299 PolarHBondContact O-N 3.14Å; N299-K301 PolarHBondContact O-N 3.36Å |
| 300 | P | 55.1 | Low | 65.6 | Low | 101 Ų | 101 | 93 Ų | 93 | 66% | 0.656 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -63.5 | 110.4 | 169.6 | 25.6 | -31.2 | 0 | 0 | 0 | 107.8 | K298 | K298-P300 WeakPolarHBondContact O-CD 3.45Š|
| 301 | K | 48.4 | Very low | 63.5 | Low | 189 Ų | 189 | 99.4 Ų | 99.4 | 82% | 0.822 | 48% | 0.482 | S | S | * | . | trans | 74.1 | 113.1 | 175.5 | -48 | 172.7 | -176.7 | 179.4 | 0 | 112.7 | N299 | N299-K301 PolarHBondContact O-N 3.36Š| ||
| 302 | K | 37.3 | Very low | 61.4 | Low | 200 Ų | 200 | 102.6 Ų | 102.6 | 87% | 0.87 | 51% | 0.509 | S | S | * | . | -118.3 | 102.6 | 52.3 | -57.3 | 177.3 | -178.7 | -175.7 | 0 | 111 | S304 | K302-S304 PolarHBondContact O-N 3.44Š| |||
| 303 | I | 33.8 | Very low | 59.4 | Low | 162 Ų | 162 | 105.3 Ų | 105.3 | 83% | 0.831 | 53% | 0.529 | S | S | * | . | trans | -63 | 93.4 | 146.8 | -66.8 | 164.7 | 0 | 0 | 0 | 103.8 | I305 | I303-I305 PolarHBondContact O-N 3.16Å; I303-I305 VanDerWaalsContact O-N 3.15Å | ||
| 304 | S | 34.8 | Very low | 57.1 | Low | 62 Ų | 62 | 112 Ų | 112 | 43% | 0.434 | 57% | 0.566 | S | S | . | * | trans | -61.9 | 115.3 | 169.8 | 146.7 | 0 | 0 | 0 | 0 | 105.8 | K302 R306 | K302-S304 PolarHBondContact O-N 3.44Å; S304-R306 PolarHBondContact O-N 3.19Å; S304-R306 WeakPolarHBondContact OG-CB 3.24Å; S304-R306 WeakPolarHBondContact OG-CG 3.38Å; S304-R306 PolarHBondContact OG-N 3.26Å | ||
| 305 | I | 38.5 | Very low | 55.1 | Low | 118 Ų | 118 | 117.4 Ų | 117.4 | 61% | 0.605 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | 1.4 | 173.4 | -67.1 | 164.5 | 0 | 0 | 0 | 113.2 | I303 N307 A308 K309 | I303-I305 PolarHBondContact O-N 3.16Å; I303-I305 VanDerWaalsContact O-N 3.15Å; I305-N307 PolarHBondContact O-N 3.03Å; I305-N307 VanDerWaalsContact O-N 3.16Å; I305-A308 HydrophobicContact CG2-CB 4.48Å; I305-A308 PolarHBondContact O-N 3.02Å; I305-K309 PolarHBondContact O-N 3.33Å |
| 306 | R | 39 | Very low | 52.6 | Low | 193 Ų | 193 | 126.9 Ų | 126.9 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -24 | 176.9 | -70.1 | -177.3 | -158.1 | -176.1 | 4.2 | 115.2 | S304 R310 | S304-R306 PolarHBondContact O-N 3.19Å; S304-R306 WeakPolarHBondContact OG-CB 3.24Å; S304-R306 WeakPolarHBondContact OG-CG 3.38Å; S304-R306 PolarHBondContact OG-N 3.26Å; R306-R310 WeakPolarHBondContact O-CG 3.47Å |
| 307 | N | 42.5 | Very low | 50.3 | Low | 123 Ų | 123 | 133.5 Ų | 133.5 | 66% | 0.658 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -23.5 | 175.1 | -72 | 0.3 | 0 | 0 | 0 | 113.6 | I305 | I305-N307 PolarHBondContact O-N 3.03Å; I305-N307 VanDerWaalsContact O-N 3.16Å |
| 308 | A | 45.2 | Very low | 48 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 56% | 0.562 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75.6 | -32.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I305 R310 A312 | I305-A308 HydrophobicContact CG2-CB 4.48Å; I305-A308 PolarHBondContact O-N 3.02Å; A308-R310 PolarHBondContact O-N 2.99Å; A308-A312 PolarHBondContact O-N 3.23Å |
| 309 | K | 44.8 | Very low | 45.9 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -74.4 | -20.1 | 175.7 | -109.2 | -176.9 | 178.8 | -175.6 | 0 | 114.6 | I305 S313 | I305-K309 PolarHBondContact O-N 3.33Å; K309-S313 VanDerWaalsContact O-CB 3.28Å; K309-S313 WeakPolarHBondContact O-CB 3.4Å; K309-S313 PolarHBondContact O-N 3.14Å; K309-S313 VanDerWaalsContact O-N 3.09Å; K309-S313 PolarHBondContact O-OG 3.47Å |
| 310 | R | 47.4 | Very low | 45.1 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 68% | 0.683 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -81.1 | -22.4 | 177.9 | -77.7 | -179.7 | 178.3 | -179 | -2.9 | 114 | R306 A308 | R306-R310 WeakPolarHBondContact O-CG 3.47Å; A308-R310 PolarHBondContact O-N 2.99Å |
| 311 | Q | 49 | Very low | 44.6 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -92 | -16.5 | 170.5 | -72.7 | -172.1 | -5.7 | 0 | 0 | 112.8 | ||
| 312 | A | 48.8 | Very low | 44.6 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 55% | 0.554 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -91.6 | -16.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A308 | A308-A312 PolarHBondContact O-N 3.23Å |
| 313 | S | 51.7 | Low | 45.3 | Very low | 68 Ų | 68 | 137 Ų | 137 | 48% | 0.476 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -88.1 | -10.6 | 178.7 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | K309 I315 | K309-S313 VanDerWaalsContact O-CB 3.28Å; K309-S313 WeakPolarHBondContact O-CB 3.4Å; K309-S313 PolarHBondContact O-N 3.14Å; K309-S313 VanDerWaalsContact O-N 3.09Å; K309-S313 PolarHBondContact O-OG 3.47Å; S313-I315 VanDerWaalsContact C-N 3.26Å; S313-I315 PolarHBondContact O-N 3.08Å |
| 314 | D | 48.8 | Very low | 45.8 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -90.2 | 15.3 | 176.8 | -72 | -11.7 | 0 | 0 | 0 | 112.8 | ||
| 315 | I | 52.7 | Low | 46.4 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -112.4 | -3.7 | -178.7 | -65.6 | 177.5 | 0 | 0 | 0 | 113 | S313 | S313-I315 VanDerWaalsContact C-N 3.26Å; S313-I315 PolarHBondContact O-N 3.08Å |
| 316 | Y | 43.2 | Very low | 46.6 | Very low | 204 Ų | 204 | 138.5 Ų | 138.5 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -149.7 | 82.2 | 173.8 | -71.2 | -83 | 0 | 0 | 0 | 111.6 | ||
| 317 | Q | 45.2 | Very low | 46.8 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -174.8 | 82.7 | 155.6 | -116.7 | 180 | -31.3 | 0 | 0 | 109.8 | ||||
| 318 | M | 42.6 | Very low | 47 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -168.7 | 75.6 | 143.5 | -74.7 | -141 | 79.4 | 0 | 0 | 107 | ||||
| 319 | D | 43.2 | Very low | 47.2 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | trans | -131.5 | 103.5 | 155.3 | -93.8 | -39 | 0 | 0 | 0 | 105.5 | ||||
| 320 | V | 54.9 | Low | 47.3 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -139.4 | 110.6 | 164.1 | -168.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 321 | D | 44.7 | Very low | 47.1 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 51 | 99.8 | 152.8 | -63.7 | -29.6 | 0 | 0 | 0 | 119.3 | ||||
| 322 | S | 47.8 | Very low | 47 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -134.9 | 96.4 | 137.1 | -68.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 323 | T | 52.7 | Low | 46.9 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -58.6 | 169.7 | 167.8 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 324 | P | 43.5 | Very low | 46.6 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -137.6 | 160.3 | -48.7 | 37.2 | -21.3 | 0 | 0 | 0 | 111.1 | ||||
| 325 | T | 49.1 | Very low | 46.5 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -176 | 130.7 | 142.3 | 23.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 326 | P | 40.9 | Very low | 46.4 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -99.9 | 127.7 | 177.6 | 34.4 | -25.2 | 0 | 0 | 0 | 110.4 | ||||
| 327 | H | 44.5 | Very low | 46.4 | Very low | 182 Ų | 182 | 140 Ų | 140 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -143.6 | 140.2 | 150.8 | -145 | -82.1 | 0 | 0 | 0 | 111.3 | ||||
| 328 | K | 45.6 | Very low | 46.7 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -77.4 | 171 | -166 | -70.2 | 170.4 | 171.6 | 171.5 | 0 | 113.1 | ||||
| 329 | D | 49.1 | Very low | 46.9 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | 91.3 | 140.3 | 157.1 | -52.5 | -44.6 | 0 | 0 | 0 | 114.6 | ||||
| 330 | K | 48 | Very low | 47.3 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | cis | 169.1 | 148.6 | -19.3 | -113.6 | 178.1 | -177.1 | 177.3 | 0 | 103.1 | ||||
| 331 | C | 43 | Very low | 46.8 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | 72.5 | 152.2 | 165.9 | -61.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 332 | A | 46.5 | Very low | 46.5 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 63% | 0.628 | 76% | 0.763 | S | S | * | * | cis | 176.6 | 143 | -24.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 333 | K | 47.9 | Very low | 46.1 | Very low | 210 Ų | 210 | 134.4 Ų | 134.4 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | trans | 67.6 | 153.6 | 157.9 | -65.3 | 172.4 | -177.8 | 178.4 | 0 | 115.8 | ||||
| 334 | A | 45.3 | Very low | 45.4 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | cis | -175.9 | 144.4 | -3.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 335 | V | 46.7 | Very low | 45.1 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | 71.2 | 149.3 | 137.5 | -170.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 336 | V | 49.7 | Very low | 44.4 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | 118.2 | 97.7 | 151.3 | -170.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 337 | D | 44.5 | Very low | 44.1 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | 59.9 | 122.6 | 126.7 | -62.5 | -34.5 | 0 | 0 | 0 | 126 | |||||
| 338 | H | 51.4 | Low | 43.8 | Very low | 168 Ų | 168 | 137 Ų | 137 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | 91.9 | 152.6 | 119.9 | -73.7 | 5.8 | 0 | 0 | 0 | 122.2 | |||||
| 339 | P | 45.3 | Very low | 43.7 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | -131.3 | -175.5 | -137.1 | 35.8 | -13.7 | 0 | 0 | 0 | 117.4 | ||||
| 340 | I | 51.8 | Low | 43 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | 76.9 | 165.4 | 157.9 | -15.9 | -179.7 | 0 | 0 | 0 | 118.5 | ||||
| 341 | P | 45.7 | Very low | 42.5 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | -120.1 | -175.4 | -92.3 | 38.6 | -21.8 | 0 | 0 | 0 | 113.3 | |||||
| 342 | M | 38.3 | Very low | 42.3 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | 170.9 | 135.5 | 126 | -86.7 | -152.7 | -51.2 | 0 | 0 | 112.4 | |||||
| 343 | S | 38.5 | Very low | 42.1 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 37.8 | 126.6 | 141.7 | -136.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 344 | I | 38.1 | Very low | 41.8 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | 154.7 | 138.7 | 96.9 | -158.8 | 147.5 | 0 | 0 | 0 | 112.7 | |||||
| 345 | D | 36.3 | Very low | 41.6 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 62.4 | 126 | 149.4 | -74.8 | -12.9 | 0 | 0 | 0 | 124.9 | ||||
| 346 | S | 34.7 | Very low | 41.5 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 67.7 | 107.9 | 122.7 | -160 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 347 | F | 36.3 | Very low | 41.2 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | -144.5 | 110.3 | 151.3 | -93.7 | -84 | 0 | 0 | 0 | 110.6 | ||||
| 348 | D | 37.3 | Very low | 40.8 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 161.3 | 138.5 | -122.6 | -21.8 | 0 | 0 | 0 | 106.7 | ||||
| 349 | P | 44 | Very low | 40.6 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | -161 | -175.8 | 65.1 | 39.3 | -14.6 | 0 | 0 | 0 | 118 | |||||
| 350 | E | 33.2 | Very low | 40.6 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -36.5 | 148.3 | 167.6 | -69.2 | 177.5 | 115.1 | 0 | 0 | 118 | ||||
| 351 | F | 38.7 | Very low | 40 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -133.7 | 115.4 | 147.9 | -100 | -85.7 | 0 | 0 | 0 | 112 | I353 | F351-I353 HydrophobicContact CD1-CD1 4.21Å; F351-I353 HydrophobicContact CD1-CG1 4.4Å; F351-I353 HydrophobicContact CE1-CD1 4.37Å | ||
| 352 | K | 38.6 | Very low | 40.1 | Very low | 182 Ų | 182 | 148 Ų | 148 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -100.1 | 123.6 | 161.4 | -79.6 | 175.4 | 179 | 163.3 | 0 | 108.9 | ||||
| 353 | I | 42.3 | Very low | 40.1 | Very low | 149 Ų | 149 | 145 Ų | 145 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -160.3 | 142.9 | 158.3 | -53.2 | -178.4 | 0 | 0 | 0 | 106.1 | F351 | F351-I353 HydrophobicContact CD1-CD1 4.21Å; F351-I353 HydrophobicContact CD1-CG1 4.4Å; F351-I353 HydrophobicContact CE1-CD1 4.37Å | ||
| 354 | A | 41.4 | Very low | 40.5 | Very low | 91 Ų | 91 | 148.6 Ų | 148.6 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | cis | -167.2 | 161.4 | -26 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 355 | K | 40.4 | Very low | 40.8 | Very low | 216 Ų | 216 | 151.3 Ų | 151.3 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -75.8 | 140.3 | 170.7 | -84.4 | 170.4 | 169.9 | 171.2 | 0 | 111 | ||||
| 356 | S | 45.8 | Very low | 41.4 | Very low | 116 Ų | 116 | 154.8 Ų | 154.8 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -140.7 | 106.8 | 151.3 | 54.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 357 | L | 41.7 | Very low | 41.9 | Very low | 178 Ų | 178 | 159.9 Ų | 159.9 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | 64.3 | 114.8 | 91.7 | -154.8 | 72.4 | 0 | 0 | 0 | 114.2 | |||||
| 358 | A | 37.4 | Very low | 42.4 | Very low | 90 Ų | 90 | 155.6 Ų | 155.6 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -66.2 | 148.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 359 | K | 46.3 | Very low | 42.9 | Very low | 213 Ų | 213 | 158.4 Ų | 158.4 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | trans | -140.7 | 137.6 | 140.1 | -76.8 | -167 | 179.9 | 175 | 0 | 111.1 | ||||
| 360 | S | 44.8 | Very low | 42.7 | Very low | 123 Ų | 123 | 159.8 Ų | 159.8 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -62.2 | 149.4 | -176.9 | 51.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 361 | G | 39.7 | Very low | 43 | Very low | 79 Ų | 79 | 156.6 Ų | 156.6 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | trans | -174.5 | 95.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 362 | K | 47.6 | Very low | 43.1 | Very low | 208 Ų | 208 | 153.3 Ų | 153.3 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | trans | -14.6 | 155.4 | 178.2 | -69.9 | 173.3 | -179.5 | 176.9 | 0 | 122.3 | ||||
| 363 | P | 39.3 | Very low | 43.2 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | trans | -100.1 | 149.5 | -165.6 | 38.7 | -30.1 | 0 | 0 | 0 | 114.2 | ||||
| 364 | L | 47.5 | Very low | 43.3 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 95% | 0.953 | 84% | 0.838 | S | S | * | * | trans | -108.3 | 112.2 | 163.6 | -91 | 160.7 | 0 | 0 | 0 | 110.1 | ||||
| 365 | K | 44 | Very low | 43 | Very low | 197 Ų | 197 | 158 Ų | 158 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | trans | -68.9 | 122.6 | 172.8 | -64.8 | 179.9 | 177.1 | 177.6 | 0 | 109.7 | ||||
| 366 | K | 48.3 | Very low | 43 | Very low | 210 Ų | 210 | 155 Ų | 155 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | trans | -133.6 | 122.9 | 152 | -95.8 | -177.3 | 179 | 175.1 | 0 | 110 | ||||
| 367 | K | 45.7 | Very low | 43 | Very low | 210 Ų | 210 | 156.8 Ų | 156.8 | 91% | 0.913 | 84% | 0.835 | S | S | * | * | trans | -66 | 121.5 | -176.8 | -62 | 174.3 | 175.5 | 178.6 | 0 | 109.8 | ||||
| 368 | S | 46 | Very low | 43.1 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -85.7 | 110.6 | 163.6 | 56.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 369 | K | 48.8 | Very low | 43.4 | Very low | 201 Ų | 201 | 157 Ų | 157 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -69.6 | 128.9 | 164.4 | -90.3 | 179.7 | 173.1 | 179.1 | 0 | 108.7 | A371 | K369-A371 PolarHBondContact O-N 3.01Š| ||
| 370 | V | 38 | Very low | 43 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -58.4 | 125.3 | 161.6 | 173.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 371 | A | 40.3 | Very low | 42.7 | Very low | 84 Ų | 84 | 153.5 Ų | 153.5 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | -130.1 | 106.1 | 169 | 0 | 0 | 0 | 0 | 0 | 108.6 | K369 V373 | K369-A371 PolarHBondContact O-N 3.01Å; A371-V373 PolarHBondContact O-N 2.71Å | ||
| 372 | T | 40.9 | Very low | 42.7 | Very low | 123 Ų | 123 | 156.5 Ų | 156.5 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -61.2 | 113.9 | 166.1 | -52.1 | 0 | 0 | 0 | 0 | 108.4 | H374 | T372-H374 PolarHBondContact O-N 3.37Š| ||
| 373 | V | 41.2 | Very low | 42.2 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -90.7 | 100.2 | 173.9 | 180 | 0 | 0 | 0 | 0 | 108.3 | A371 | A371-V373 PolarHBondContact O-N 2.71Š| ||
| 374 | H | 43.8 | Very low | 42.8 | Very low | 172 Ų | 172 | 155.7 Ų | 155.7 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | trans | -56.7 | 127.7 | 157.7 | -105.7 | -96 | 0 | 0 | 0 | 108.8 | T372 | T372-H374 PolarHBondContact O-N 3.37Š| ||
| 375 | R | 36.4 | Very low | 42.9 | Very low | 221 Ų | 221 | 155.8 Ų | 155.8 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -81.7 | 124.8 | 162.9 | -72.3 | -174.9 | 170 | 151.8 | -1.3 | 106.9 | ||||
| 376 | D | 40.3 | Very low | 42.9 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 155.6 | 105.4 | 149.7 | -76.7 | -22.2 | 0 | 0 | 0 | 108.2 | ||||
| 377 | I | 44.5 | Very low | 42.6 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -166.1 | 122.3 | 148.2 | -79.9 | 129.8 | 0 | 0 | 0 | 105.7 | ||||
| 378 | P | 44.9 | Very low | 42.4 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 125.1 | 163.1 | 31.4 | -25.3 | 0 | 0 | 0 | 108.7 | P380 | P378-P380 VanDerWaalsContact O-CD 3.29Å; P378-P380 WeakPolarHBondContact O-CD 3.47Å |
| 379 | D | 42.4 | Very low | 42.3 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.7 | 171.6 | -100.8 | -20.8 | 0 | 0 | 0 | 110.1 | ||
| 380 | P | 37.5 | Very low | 41.9 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 163.5 | 155.2 | 34.4 | -25.9 | 0 | 0 | 0 | 108.3 | P378 | P378-P380 VanDerWaalsContact O-CD 3.29Å; P378-P380 WeakPolarHBondContact O-CD 3.47Å |
| 381 | L | 39.4 | Very low | 41.7 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | 100 | 50.1 | 169.9 | -47.3 | 174.4 | 0 | 0 | 0 | 118.4 | ||||
| 382 | V | 40.9 | Very low | 41.9 | Very low | 142 Ų | 142 | 144 Ų | 144 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -148.6 | 75.8 | 147.6 | -168.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 383 | N | 36.6 | Very low | 42 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -160.9 | 73.1 | 166.7 | -116.3 | -4.6 | 0 | 0 | 0 | 113.5 | ||||
| 384 | I | 51.2 | Low | 41.8 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -130.9 | -7.5 | 167.5 | -57.1 | 179.6 | 0 | 0 | 0 | 112.4 | ||
| 385 | K | 49.8 | Very low | 41.7 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -108.8 | 6 | -167.9 | -131.9 | 175 | -175.3 | 174.6 | 0 | 117.3 | ||
| 386 | Y | 44.5 | Very low | 42 | Very low | 83 Ų | 83 | 152 Ų | 152 | 33% | 0.325 | 76% | 0.761 | S | S | . | * | trans | -137.3 | 82 | 178.6 | -59.8 | -75.8 | 0 | 0 | 0 | 110 | N138 L143 N188 | N138-Y386 PolarHBondContact O-OH 3.02Å; L143-Y386 HydrophobicContact CD2-CD1 4.14Å; L143-Y386 HydrophobicContact CD2-CD2 4.47Å; L143-Y386 HydrophobicContact CD2-CE1 4.48Å; L143-Y386 HydrophobicContact CD2-CG 4.14Å; N188-Y386 VanDerWaalsContact OD1-CD1 3.31Å; N188-Y386 WeakPolarHBondContact OD1-CD1 3.43Å; N188-Y386 WeakPolarHBondContact OD1-CE1 3.4Å | ||
| 387 | Q | 40.7 | Very low | 42.2 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -88.6 | 122 | 168.6 | -67.6 | -156.3 | 49.4 | 0 | 0 | 109.5 | ||||
| 388 | L | 42 | Very low | 42 | Very low | 80 Ų | 80 | 149.1 Ų | 149.1 | 42% | 0.419 | 77% | 0.766 | S | S | . | * | trans | -79.2 | 112.1 | 167.5 | -93.2 | 146.2 | 0 | 0 | 0 | 107.5 | L147 K185 L186 | L147-L388 HydrophobicContact CD2-CD1 4.03Å; L147-L388 HydrophobicContact CD2-CD2 4.19Å; K185-L388 HydrophobicContact CB-CD2 4.38Å; K185-L388 HydrophobicContact CD-CD2 4.44Å; L186-L388 WeakPolarHBondContact O-CD2 3.5Å | ||
| 389 | E | 43.2 | Very low | 42.1 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | trans | -93.3 | 116.5 | 172.4 | -72.9 | -79 | 149.6 | 0 | 0 | 108.8 | ||||
| 390 | E | 40.6 | Very low | 42 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | trans | -98.7 | 126.3 | 170.5 | -71.3 | -171.1 | 167 | 0 | 0 | 109.9 | K185 | K185-E390 WeakPolarHBondContact CE-OE1 3.39Å; K185-E390 IonicContact NZ-OE1 2.66Å | ||
| 391 | K | 35.6 | Very low | 42.1 | Very low | 214 Ų | 214 | 151.6 Ų | 151.6 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -89 | 108.6 | 166.6 | -73.9 | -177.1 | 177.3 | 179.3 | 0 | 108.4 | ||||
| 392 | S | 43.8 | Very low | 42.5 | Very low | 103 Ų | 103 | 152 Ų | 152 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -143.7 | 142 | 169.5 | 44.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 393 | V | 42.7 | Very low | 42.6 | Very low | 142 Ų | 142 | 154.9 Ų | 154.9 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -73.7 | 139.5 | -165.2 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | R395 | V393-R395 PolarHBondContact O-N 3.02Š| ||
| 394 | K | 37.9 | Very low | 42.7 | Very low | 205 Ų | 205 | 155 Ų | 155 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | -54.7 | 114.2 | -179.1 | -73.4 | 174.6 | 175.6 | 171.9 | 0 | 113.5 | ||||
| 395 | R | 41.8 | Very low | 42.1 | Very low | 250 Ų | 250 | 153 Ų | 153 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -146.4 | 128.6 | 145.5 | -70.2 | -166 | 174 | 154 | -1.9 | 110.1 | V393 | V393-R395 PolarHBondContact O-N 3.02Š| ||
| 396 | K | 41.8 | Very low | 41.5 | Very low | 215 Ų | 215 | 151.6 Ų | 151.6 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | -99.5 | 132.4 | -176.8 | -81.4 | 178.9 | 172 | 178.9 | 0 | 111 | ||||
| 397 | S | 45.4 | Very low | 41.3 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -159.1 | 135.8 | 147.5 | 54.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 398 | S | 38.7 | Very low | 41.5 | Very low | 116 Ų | 116 | 158.7 Ų | 158.7 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -101.1 | 148.7 | -163.4 | 67 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 399 | S | 46.7 | Very low | 41.2 | Very low | 123 Ų | 123 | 160.1 Ų | 160.1 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -165.2 | 152 | 137 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 400 | K | 41.7 | Very low | 40.8 | Very low | 206 Ų | 206 | 159.5 Ų | 159.5 | 90% | 0.896 | 84% | 0.837 | S | S | * | * | trans | -95 | 139.5 | -151 | -63 | 157.7 | 172.8 | 172.3 | 0 | 113.2 | ||||
| 401 | S | 39.5 | Very low | 40.8 | Very low | 94 Ų | 94 | 159.7 Ų | 159.7 | 66% | 0.657 | 85% | 0.847 | S | S | * | * | trans | -159.3 | 100.3 | 150.6 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | F403 | S401-F403 VanDerWaalsContact C-N 3.27Å; S401-F403 PolarHBondContact O-N 3.03Å | ||
| 402 | I | 46.8 | Very low | 41 | Very low | 175 Ų | 175 | 153.7 Ų | 153.7 | 90% | 0.897 | 85% | 0.846 | S | S | * | * | S | Bend | trans | 48.4 | -7.1 | 138.9 | -52.2 | 177.3 | 0 | 0 | 0 | 121.3 | ||
| 403 | F | 44.5 | Very low | 41.1 | Very low | 202 Ų | 202 | 152.7 Ų | 152.7 | 89% | 0.886 | 84% | 0.844 | S | S | * | * | trans | -105.4 | 6.2 | 174 | -118.7 | -88.9 | 0 | 0 | 0 | 114.5 | S401 S405 | S401-F403 VanDerWaalsContact C-N 3.27Å; S401-F403 PolarHBondContact O-N 3.03Å; F403-S405 PolarHBondContact O-N 3.21Å; F403-S405 VanDerWaalsContact O-N 3.12Å | ||
| 404 | D | 37.5 | Very low | 41.2 | Very low | 142 Ų | 142 | 153.4 Ų | 153.4 | 76% | 0.759 | 84% | 0.843 | S | S | * | * | trans | -87.5 | 52.6 | -171.4 | -80.7 | -33.8 | 0 | 0 | 0 | 114.6 | ||||
| 405 | S | 38.1 | Very low | 41.6 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -107.4 | 24 | 174 | -66.3 | 0 | 0 | 0 | 0 | 114.6 | F403 | F403-S405 PolarHBondContact O-N 3.21Å; F403-S405 VanDerWaalsContact O-N 3.12Å | ||
| 406 | L | 37.2 | Very low | 41.7 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -130.8 | 16.4 | -175.7 | -113.8 | 139.6 | 0 | 0 | 0 | 116.1 | ||
| 407 | F | 40.7 | Very low | 41.8 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -140.5 | 108.8 | 169.4 | -72.8 | -80.9 | 0 | 0 | 0 | 110.9 | ||||
| 408 | Q | 44.6 | Very low | 41.9 | Very low | 201 Ų | 201 | 147.1 Ų | 147.1 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -79.3 | 136.5 | 168.3 | -75.1 | -175.2 | -23.7 | 0 | 0 | 110.3 | ||||
| 409 | P | 36.1 | Very low | 42.1 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | trans | -114.7 | 122.6 | 152.6 | 29.7 | -16.3 | 0 | 0 | 0 | 110.3 | T411 | P409-T411 PolarHBondContact O-N 3.34Š| ||
| 410 | S | 36.1 | Very low | 41.9 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -67.7 | 120.3 | 169.4 | 58.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 411 | T | 39.7 | Very low | 42 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -125.3 | 112.3 | 161.5 | 53.4 | 0 | 0 | 0 | 0 | 109 | P409 | P409-T411 PolarHBondContact O-N 3.34Š| ||
| 412 | G | 40.2 | Very low | 42.1 | Very low | 87 Ų | 87 | 154 Ų | 154 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -81.5 | 126.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 413 | A | 44.4 | Very low | 41.8 | Very low | 82 Ų | 82 | 154.6 Ų | 154.6 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -88.4 | 146.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 414 | N | 44.8 | Very low | 42 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | 169.5 | 95.3 | 113.8 | -82.9 | -28.3 | 0 | 0 | 0 | 112.6 | |||||
| 415 | D | 46.3 | Very low | 42.3 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | 30.1 | 136.6 | 120 | -102.1 | -1.6 | 0 | 0 | 0 | 123.9 | |||||
| 416 | K | 45.8 | Very low | 42.7 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | 77.9 | 132.6 | 143.6 | -68.4 | 164.4 | 178.8 | 132.4 | 0 | 116.3 | ||||
| 417 | K | 44 | Very low | 43.2 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | cis | -169.9 | 156.1 | 41.2 | -132.9 | 167.5 | -174.9 | 177.4 | 0 | 110.9 | ||||
| 418 | Q | 46.1 | Very low | 43.4 | Very low | 177 Ų | 177 | 150.8 Ų | 150.8 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -57.7 | 149.5 | 179.6 | -57.9 | 172.6 | -19.9 | 0 | 0 | 116.3 | ||||
| 419 | K | 43.8 | Very low | 43.4 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | 166.9 | 122.8 | 107.7 | -105.6 | 179.1 | 173.5 | 173.2 | 0 | 113.5 | |||||
| 420 | K | 42.3 | Very low | 43.9 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | 27.1 | 117.9 | 128.8 | -103.3 | 178.9 | 177.8 | 176.1 | 0 | 118.5 | |||||
| 421 | K | 43.9 | Very low | 44.7 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | 162.5 | 121 | 110.2 | -92.2 | -178.5 | -177.7 | -175.1 | 0 | 114.2 | |||||
| 422 | T | 40.8 | Very low | 44.9 | Very low | 117 Ų | 117 | 158.3 Ų | 158.3 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | 41.8 | 128.8 | 134.5 | 46.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 423 | K | 41.7 | Very low | 45.8 | Very low | 187 Ų | 187 | 164 Ų | 164 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | 82.2 | 130.8 | 127.3 | -81.7 | -176.5 | 174.9 | 179.5 | 0 | 121.3 | |||||
| 424 | S | 47.6 | Very low | 46.4 | Very low | 106 Ų | 106 | 173.1 Ų | 173.1 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | 74 | 148.9 | 149.5 | 80.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 425 | N | 44.5 | Very low | 46.5 | Very low | 129 Ų | 129 | 174 Ų | 174 | 69% | 0.69 | 82% | 0.818 | S | S | * | * | cis | -172.5 | 155 | 13.6 | -132.8 | -15.3 | 0 | 0 | 0 | 106.3 | ||||
| 426 | I | 46.5 | Very low | 46.5 | Very low | 139 Ų | 139 | 176.6 Ų | 176.6 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | trans | 62.3 | 147 | 138.8 | -64.4 | 163 | 0 | 0 | 0 | 117.4 | ||||
| 427 | R | 46.5 | Very low | 46.6 | Very low | 210 Ų | 210 | 177.1 Ų | 177.1 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | cis | 174.1 | 161.8 | -15.2 | -164.4 | -172.5 | -167.8 | 173.7 | 2.3 | 102.6 | ||||
| 428 | N | 45 | Very low | 46.7 | Very low | 151 Ų | 151 | 175.8 Ų | 175.8 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | trans | 85.6 | 132.8 | 166.6 | -44.4 | -26.2 | 0 | 0 | 0 | 115.1 | ||||
| 429 | G | 45 | Very low | 46.8 | Very low | 72 Ų | 72 | 175.7 Ų | 175.7 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | cis | -178.3 | 151.8 | 2.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 430 | R | 46.7 | Very low | 47 | Very low | 239 Ų | 239 | 174.7 Ų | 174.7 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | 25.5 | 129.7 | 143.9 | -89.1 | 176.3 | 168.3 | -179.3 | -3.3 | 119.1 | ||||
| 431 | K | 54.5 | Low | 47.3 | Very low | 205 Ų | 205 | 173.8 Ų | 173.8 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | -173.5 | 134.3 | 99.7 | -97.4 | 172 | -174.5 | 179.9 | 0 | 112.4 | |||||
| 432 | F | 42.8 | Very low | 47.6 | Very low | 209 Ų | 209 | 172.7 Ų | 172.7 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -75.9 | 148.5 | 170.5 | -97.4 | -97.9 | 0 | 0 | 0 | 112.1 | ||||
| 433 | K | 59.5 | Low | 48.1 | Very low | 208 Ų | 208 | 177.3 Ų | 177.3 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | trans | -172.8 | 128.8 | 147.5 | -99.8 | 177.8 | 179.8 | -178.7 | 0 | 103.7 | ||||
| 434 | K | 57.6 | Low | 48.7 | Very low | 273 Ų | 273 | 176.5 Ų | 176.5 | 100% | 1.187 | 84% | 0.844 | S | S | * | * | cis | -156.4 | 0 | 31.6 | -153.2 | 179.3 | -169.6 | -177.4 | 0 | 108.2 |
Retrieved 434 of 434 residues in 90.1 ms
(Link to these results)