| 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 | 43.3 | Very low | 46.3 | Very low | 236 Ų | 236 | 151.7 Ų | 151.7 | 100% | 1.163 | 85% | 0.853 | S | S | * | * | 0 | 72.6 | 0 | -75 | 173.8 | 150.2 | 0 | 0 | 105.9 | |||||
| 2 | S | 50.1 | Low | 45.4 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 83% | 0.832 | 85% | 0.849 | S | S | * | * | 79.1 | 84.1 | 101.4 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3 | E | 56.5 | Low | 44.9 | Very low | 190 Ų | 190 | 156.2 Ų | 156.2 | 89% | 0.888 | 85% | 0.851 | S | S | * | * | trans | -68.7 | 147.1 | 170.2 | -68.3 | -179.6 | 152.1 | 0 | 0 | 110.7 | ||||
| 4 | P | 53.1 | Low | 44.4 | Very low | 126 Ų | 126 | 157.2 Ų | 157.2 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | trans | -91.3 | 132.4 | -175.8 | 34.6 | -31.2 | 0 | 0 | 0 | 113.6 | ||||
| 5 | E | 45.5 | Very low | 43.8 | Very low | 192 Ų | 192 | 159.2 Ų | 159.2 | 90% | 0.897 | 85% | 0.849 | S | S | * | * | trans | 12.7 | 118.4 | 149.7 | -62.9 | 178.4 | 164.5 | 0 | 0 | 120.3 | ||||
| 6 | S | 56.9 | Low | 43.3 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 76% | 0.755 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 137.8 | 157.3 | 58.3 | 0 | 0 | 0 | 0 | 111 | F8 | S6-F8 PolarHBondContact O-N 3.38Š|
| 7 | P | 47 | Very low | 42.8 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 84% | 0.844 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 123.5 | 175.7 | 30.8 | -30.9 | 0 | 0 | 0 | 111.1 | ||
| 8 | F | 40.1 | Very low | 42.8 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 121.2 | 174.5 | -151.6 | -95.3 | 0 | 0 | 0 | 109.3 | S6 T10 | S6-F8 PolarHBondContact O-N 3.38Å; F8-T10 PolarHBondContact O-N 2.93Å |
| 9 | A | 39.2 | Very low | 42.5 | Very low | 90 Ų | 90 | 148 Ų | 148 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -74.3 | 109 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | L11 | A9-L11 PolarHBondContact O-N 2.99Š| ||
| 10 | T | 36.6 | Very low | 42.4 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -79.8 | 107.7 | 165.2 | 44 | 0 | 0 | 0 | 0 | 108.7 | F8 E12 | F8-T10 PolarHBondContact O-N 2.93Å; T10-E12 PolarHBondContact O-N 3.38Å | ||
| 11 | L | 40.9 | Very low | 42.4 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -76.4 | 108.3 | 162.1 | -83.7 | 162.6 | 0 | 0 | 0 | 107.3 | A9 E13 | A9-L11 PolarHBondContact O-N 2.99Å; L11-E13 PolarHBondContact O-N 2.84Å | ||
| 12 | E | 36 | Very low | 42.5 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -70.8 | 112.2 | 169.6 | -67.1 | -179.8 | 157.7 | 0 | 0 | 108.4 | T10 E14 | T10-E12 PolarHBondContact O-N 3.38Å; E12-E14 PolarHBondContact O-N 3.23Å | ||
| 13 | E | 38.2 | Very low | 42.2 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -76.5 | 99.3 | 170.2 | -71.5 | -178.3 | 156.3 | 0 | 0 | 108.6 | L11 E15 | L11-E13 PolarHBondContact O-N 2.84Å; E13-E15 PolarHBondContact O-N 2.87Å | ||
| 14 | E | 38 | Very low | 41.3 | Very low | 171 Ų | 171 | 130.2 Ų | 130.2 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | trans | -72 | 94.9 | 169.6 | -76.1 | -169.9 | 154.9 | 0 | 0 | 110.2 | E12 T16 | E12-E14 PolarHBondContact O-N 3.23Å; E14-T16 VanDerWaalsContact C-N 3.34Å; E14-T16 PolarHBondContact O-N 3.24Å | ||
| 15 | E | 35.4 | Very low | 40.7 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -74.2 | 82.8 | 173.3 | -155.6 | 179 | -165.4 | 0 | 0 | 109.9 | E13 A17 | E13-E15 PolarHBondContact O-N 2.87Å; E15-A17 PolarHBondContact O-N 3.29Å | ||
| 16 | T | 36.4 | Very low | 40.2 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 60% | 0.595 | 71% | 0.709 | S | S | * | * | trans | -78.6 | 97.1 | 175 | 45 | 0 | 0 | 0 | 0 | 110.7 | E14 H18 | E14-T16 VanDerWaalsContact C-N 3.34Å; E14-T16 PolarHBondContact O-N 3.24Å; T16-H18 PolarHBondContact O-N 2.63Å; T16-H18 VanDerWaalsContact O-N 3.14Å; T16-H18 PolarHBondContact O-ND1 3.44Å | ||
| 17 | A | 34.8 | Very low | 39.2 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -68.1 | 106.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E15 | E15-A17 PolarHBondContact O-N 3.29Š| ||
| 18 | H | 43.5 | Very low | 38.6 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 68% | 0.681 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 118.2 | 175.2 | -70.6 | 66.2 | 0 | 0 | 0 | 110 | T16 | T16-H18 PolarHBondContact O-N 2.63Å; T16-H18 VanDerWaalsContact O-N 3.14Å; T16-H18 PolarHBondContact O-ND1 3.44Å |
| 19 | S | 36 | Very low | 38.7 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -77 | 131.7 | 176.2 | 55 | 0 | 0 | 0 | 0 | 111.7 | ||
| 20 | M | 40 | Very low | 38.5 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 51% | 0.512 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -98.1 | 127.6 | 174.2 | -175.8 | 179.4 | -73.1 | 0 | 0 | 109.8 | I129 | M20-I129 HydrophobicContact CE-CD1 4.31Š|
| 21 | Y | 43.8 | Very low | 38.6 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | trans | -104.6 | 135.4 | 171.2 | -71.8 | -94.5 | 0 | 0 | 0 | 109.6 | L122 | Y21-L122 HydrophobicContact CD2-CD2 4.25Š| ||
| 22 | V | 44.9 | Very low | 38.2 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 38% | 0.376 | 70% | 0.701 | S | S | . | * | trans | -110.7 | 122.5 | -177.6 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | I137 | V22-I137 HydrophobicContact CG1-CB 4.39Å; V22-I137 HydrophobicContact CG1-CD1 4.47Å; V22-I137 HydrophobicContact CG1-CG2 4.21Å; V22-I137 HydrophobicContact CG2-CD1 4.18Å; V22-I137 HydrophobicContact CG2-CG2 3.63Å | ||
| 23 | A | 44.6 | Very low | 38 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 58% | 0.579 | 70% | 0.703 | S | S | * | * | trans | -113.1 | 125.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | L224 | A23-L224 HydrophobicContact CB-CD1 3.69Š| ||
| 24 | S | 37.6 | Very low | 37.8 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | trans | -89.3 | 125.8 | 174.4 | -62.6 | 0 | 0 | 0 | 0 | 110 | N26 | S24-N26 PolarHBondContact O-N 3.35Š| ||
| 25 | E | 39.7 | Very low | 37.5 | Very low | 146 Ų | 146 | 122 Ų | 122 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | trans | -78.8 | 100.5 | 168.4 | -73.6 | 175.2 | 133 | 0 | 0 | 108.4 | S27 R222 | E25-S27 PolarHBondContact O-N 3.39Å; E25-R222 IonicContact OE1-NH1 3.33Å; E25-R222 PolarHBondContact OE1-NH1 3.31Å; E25-R222 IonicContact OE2-NH1 3.95Å | ||
| 26 | N | 34.7 | Very low | 37.5 | Very low | 139 Ų | 139 | 118.8 Ų | 118.8 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | trans | -79.6 | 99.1 | 163.3 | -72.9 | -2.8 | 0 | 0 | 0 | 107.8 | S24 | S24-N26 PolarHBondContact O-N 3.35Š| ||
| 27 | S | 36.1 | Very low | 37.4 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | -95.6 | 85.7 | 166.2 | 64.7 | 0 | 0 | 0 | 0 | 109 | E25 E29 | E25-S27 PolarHBondContact O-N 3.39Å; S27-E29 PolarHBondContact O-N 3.45Å | ||
| 28 | D | 34.4 | Very low | 37.4 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | trans | -80 | 92.8 | 164.5 | -63.7 | -46.6 | 0 | 0 | 0 | 107.8 | ||||
| 29 | E | 42.6 | Very low | 37.2 | Very low | 180 Ų | 180 | 119.1 Ų | 119.1 | 84% | 0.841 | 70% | 0.703 | S | S | * | * | trans | -111.5 | 85.5 | 159.3 | -78.8 | -162.3 | 143.6 | 0 | 0 | 109 | S27 T31 | S27-E29 PolarHBondContact O-N 3.45Å; E29-T31 PolarHBondContact O-N 3.49Å | ||
| 30 | D | 35 | Very low | 37.3 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | -60.5 | 105.8 | 158.5 | -79 | -45.8 | 0 | 0 | 0 | 109.6 | ||||
| 31 | T | 37.5 | Very low | 37.1 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | trans | -123.6 | 80 | 158.4 | 33.1 | 0 | 0 | 0 | 0 | 109.8 | E29 | E29-T31 PolarHBondContact O-N 3.49Š| ||
| 32 | S | 32.7 | Very low | 36.8 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | -75 | 137.4 | 166.6 | 60 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 33 | I | 32.3 | Very low | 36.4 | Very low | 165 Ų | 165 | 129 Ų | 129 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 75.9 | 126.4 | 147.2 | -60.2 | 155.9 | 0 | 0 | 0 | 114.4 | ||||
| 34 | A | 34.1 | Very low | 36.2 | Very low | 86 Ų | 86 | 135 Ų | 135 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | -155.3 | 144 | 39.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 35 | V | 30.7 | Very low | 36.1 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 124.5 | 164.1 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | ||
| 36 | P | 36.5 | Very low | 36.1 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 126.8 | 161.1 | 31.9 | -22.9 | 0 | 0 | 0 | 110 | ||
| 37 | A | 34 | Very low | 36.3 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 163.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 38 | D | 35.5 | Very low | 36.6 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | 75.8 | 106.9 | 166.7 | -75.5 | -18.6 | 0 | 0 | 0 | 118.5 | ||||
| 39 | S | 38.7 | Very low | 37 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | 157.2 | 144.1 | 78.4 | 44.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 40 | A | 38.4 | Very low | 36.9 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | 58.6 | 99.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 41 | A | 34.3 | Very low | 37.2 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | 71.4 | 99.1 | 89.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 42 | E | 39.3 | Very low | 37.1 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -162.8 | 141.1 | 130.9 | -112.2 | 174.7 | -172.5 | 0 | 0 | 111.9 | ||||
| 43 | K | 36.5 | Very low | 37.4 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -79.1 | 141.4 | -173.1 | -65.2 | 169.4 | 173.2 | -179.2 | 0 | 110.2 | ||||
| 44 | Q | 40 | Very low | 37.9 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -156.7 | 123.8 | 137.1 | -114.5 | 170.1 | 1.4 | 0 | 0 | 111.5 | ||||
| 45 | E | 35.1 | Very low | 38.6 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -62.8 | 141.6 | 172.7 | -69.4 | 162.9 | 142.1 | 0 | 0 | 110.7 | ||||
| 46 | N | 40.1 | Very low | 39 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -158.4 | 120.1 | 136.6 | -101.3 | -21.9 | 0 | 0 | 0 | 110.8 | ||||
| 47 | D | 38.8 | Very low | 39.3 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -56.9 | 137.6 | 170.4 | -73.4 | -49.3 | 0 | 0 | 0 | 111.7 | ||||
| 48 | N | 41.8 | Very low | 39.7 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -159.2 | 116.4 | 134.5 | -102.4 | -21.7 | 0 | 0 | 0 | 111.6 | ||||
| 49 | Q | 43.9 | Very low | 40 | Very low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -61.2 | 135.2 | 177.5 | -76.2 | 177 | -2 | 0 | 0 | 111.9 | ||||
| 50 | V | 40 | Very low | 40.1 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -87.1 | 115.3 | 169.1 | -172.1 | 0 | 0 | 0 | 0 | 107.9 | L52 | V50-L52 HydrophobicContact CG1-CG 4.45Š| ||
| 51 | T | 40.3 | Very low | 40.3 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | trans | -97 | 103.8 | 168.1 | 47 | 0 | 0 | 0 | 0 | 109.5 | S53 | T51-S53 PolarHBondContact O-N 3.25Š| ||
| 52 | L | 37 | Very low | 40.6 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | -83.6 | 87.8 | 169.2 | -85.6 | 158.9 | 0 | 0 | 0 | 109.1 | V50 | V50-L52 HydrophobicContact CG1-CG 4.45Š| ||
| 53 | S | 37.5 | Very low | 40.6 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -164.1 | 89.7 | 169.5 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | T51 | T51-S53 PolarHBondContact O-N 3.25Š| ||
| 54 | S | 42.9 | Very low | 40.9 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -173.1 | 96.7 | 148 | -150.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 55 | V | 50.4 | Low | 40.7 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | 93.2 | 97.9 | 87.8 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 56 | F | 38.4 | Very low | 40.9 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -57.1 | 155.7 | 147.4 | -105.9 | -103 | 0 | 0 | 0 | 109.9 | ||||
| 57 | D | 41.9 | Very low | 41 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 78.4 | 112.6 | 169.8 | -71.7 | -23.7 | 0 | 0 | 0 | 118.1 | ||||
| 58 | A | 44 | Very low | 41.3 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | 158.2 | 113.7 | 89.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 59 | E | 41 | Very low | 41.3 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | 36.5 | 121.3 | 130.8 | -51.2 | -65.4 | 138.6 | 0 | 0 | 120.6 | ||||
| 60 | G | 40.6 | Very low | 41.1 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | 108.4 | 125.1 | 126.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 61 | S | 42.1 | Very low | 41.4 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 109 | 92.9 | 150.5 | -167.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 62 | E | 40.8 | Very low | 41.6 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | 38.9 | 126 | 128.5 | -58.4 | -161.6 | 154.4 | 0 | 0 | 122.1 | |||||
| 63 | G | 39.6 | Very low | 42.3 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | 107.7 | 95.9 | 122.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 64 | T | 42 | Very low | 42.8 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | 139.1 | 112.4 | 118 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 65 | N | 36.4 | Very low | 42.9 | Very low | 168 Ų | 168 | 139 Ų | 139 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | 32.3 | 119.7 | 141.6 | -62.2 | -29.5 | 0 | 0 | 0 | 121.2 | ||||
| 66 | G | 38.8 | Very low | 42.5 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 168.5 | 81.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 67 | S | 42.2 | Very low | 42.4 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -74 | 150.5 | 162.2 | -143.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 68 | P | 45 | Very low | 42.8 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | -153.4 | 153.3 | 80.1 | 36.3 | -15.1 | 0 | 0 | 0 | 118 | |||||
| 69 | N | 42.7 | Very low | 42.7 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | 47.5 | 94.1 | 138.5 | -70.7 | -15.7 | 0 | 0 | 0 | 122.2 | ||||
| 70 | R | 40.1 | Very low | 42.9 | Very low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | 24 | 108.4 | 109.8 | -149.3 | 173.5 | 174 | -148.6 | -3 | 118 | |||||
| 71 | T | 46.3 | Very low | 43.4 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 140.4 | 167.9 | 31 | 0 | 0 | 0 | 0 | 113.4 | ||
| 72 | P | 43.3 | Very low | 43.6 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 149.2 | 156.9 | 8 | 12.7 | 0 | 0 | 0 | 111.9 | ||
| 73 | L | 51.3 | Low | 43.5 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 154.1 | 179.7 | -73.4 | 131.7 | 0 | 0 | 0 | 113.6 | ||
| 74 | P | 48.4 | Very low | 43.6 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 133.6 | -178.9 | 33.3 | -30.5 | 0 | 0 | 0 | 112.7 | ||
| 75 | E | 44.6 | Very low | 43.6 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 137.2 | 166.2 | -74.9 | -170.7 | 145.9 | 0 | 0 | 111.1 | ||
| 76 | L | 43.1 | Very low | 43.6 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 92% | 0.921 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 117.4 | 172.7 | -72.4 | 159.5 | 0 | 0 | 0 | 109.2 | ||
| 77 | S | 37.2 | Very low | 44 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | trans | -140.8 | 113.7 | 160.5 | -77.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 78 | G | 48.5 | Very low | 43.9 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | trans | -119.7 | 107.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 79 | D | 42.2 | Very low | 44.1 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 85% | 0.845 | 85% | 0.851 | S | S | * | * | trans | -65.8 | 133.5 | 165.2 | -75.3 | -58.6 | 0 | 0 | 0 | 110.2 | ||||
| 80 | D | 46.7 | Very low | 43.8 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 90% | 0.898 | 84% | 0.841 | S | S | * | * | trans | -173.6 | 106.7 | 149.1 | -104.1 | -41.9 | 0 | 0 | 0 | 109.9 | ||||
| 81 | A | 49.6 | Very low | 43.8 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 84% | 0.839 | S | S | * | * | trans | 179.9 | 88.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 82 | E | 47.6 | Very low | 43.6 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | 35.1 | 119.3 | 129.5 | -64.5 | -89.5 | 136.7 | 0 | 0 | 119.9 | |||||
| 83 | Q | 38.4 | Very low | 43.2 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | trans | -97.5 | 120.8 | 177.8 | 175.2 | 178.8 | 32 | 0 | 0 | 110.7 | ||||
| 84 | A | 41 | Very low | 42.9 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 88% | 0.884 | 84% | 0.835 | S | S | * | * | trans | 179.8 | 133.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 85 | G | 41.2 | Very low | 42.5 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 122.8 | 67.8 | 155 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 86 | S | 38.3 | Very low | 42 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -80.9 | 118.2 | 163.8 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 87 | E | 45.2 | Very low | 42 | Very low | 194 Ų | 194 | 131.7 Ų | 131.7 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -134.3 | 125.3 | 156.9 | -66.4 | -167.5 | 152.9 | 0 | 0 | 109.3 | ||||
| 88 | S | 41.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -76.8 | 137.3 | -176.4 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 89 | E | 48.5 | Very low | 41.5 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -137.6 | 116.9 | 145.8 | -80.2 | -60.1 | 162.5 | 0 | 0 | 108 | ||||
| 90 | G | 36.4 | Very low | 41.2 | Very low | 56 Ų | 56 | 136.6 Ų | 136.6 | 58% | 0.577 | 81% | 0.811 | S | S | * | * | trans | -87 | -171 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 91 | F | 40.3 | Very low | 41.1 | Very low | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | 97.2 | 142.9 | 174.4 | -54.3 | -69.2 | 0 | 0 | 0 | 116 | ||||
| 92 | P | 41.3 | Very low | 40.8 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | -130 | 156.4 | -68.5 | 25.3 | -5.3 | 0 | 0 | 0 | 111.8 | S94 | P92-S94 PolarHBondContact O-N 3.5Š| |||
| 93 | S | 36.1 | Very low | 41.3 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 117.8 | 176.5 | -50.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 94 | S | 44 | Very low | 41.8 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 132.7 | 161.7 | -84.4 | 0 | 0 | 0 | 0 | 110.2 | P92 | P92-S94 PolarHBondContact O-N 3.5Š|
| 95 | P | 39.8 | Very low | 42.6 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 136.4 | -174 | 34 | -31.3 | 0 | 0 | 0 | 111.1 | ||
| 96 | G | 35.4 | Very low | 43.3 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 84.7 | 87.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 97 | Q | 42 | Very low | 44 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | -142.3 | 105.2 | 138.8 | -111.8 | 167.1 | 26.3 | 0 | 0 | 107.7 | F99 | Q97-F99 VanDerWaalsContact C-N 3.31Å; Q97-F99 PolarHBondContact O-N 2.91Å | ||
| 98 | H | 40 | Very low | 44.2 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -57.5 | 98.6 | 164.9 | -72 | -99.2 | 0 | 0 | 0 | 107.1 | S100 | H98-S100 PolarHBondContact O-N 3.47Š| ||
| 99 | F | 35.3 | Very low | 45.4 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -69 | 85.7 | 160.2 | -81.8 | -86.6 | 0 | 0 | 0 | 106.3 | Q97 S101 | Q97-F99 VanDerWaalsContact C-N 3.31Å; Q97-F99 PolarHBondContact O-N 2.91Å; F99-S101 VanDerWaalsContact C-N 3.26Å; F99-S101 PolarHBondContact O-N 3.46Å | ||
| 100 | S | 36.8 | Very low | 46.1 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | -60.2 | 99 | 159.5 | 56.9 | 0 | 0 | 0 | 0 | 106.1 | H98 S102 | H98-S100 PolarHBondContact O-N 3.47Å; S100-S102 PolarHBondContact O-N 3.09Å; S100-S102 PolarHBondContact O-OG 3.24Å | ||
| 101 | S | 44.7 | Very low | 47.7 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -67.1 | 66.9 | 164.9 | 52.4 | 0 | 0 | 0 | 0 | 108.5 | F99 I103 | F99-S101 VanDerWaalsContact C-N 3.26Å; F99-S101 PolarHBondContact O-N 3.46Å; S101-I103 VanDerWaalsContact C-N 3.29Å; S101-I103 PolarHBondContact O-N 2.62Å | ||
| 102 | S | 43.1 | Very low | 48.9 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -82.8 | 85.5 | 161.5 | 46.1 | 0 | 0 | 0 | 0 | 105.8 | S100 P104 | S100-S102 PolarHBondContact O-N 3.09Å; S100-S102 PolarHBondContact O-OG 3.24Å; S102-P104 VanDerWaalsContact O-CD 3.3Å; S102-P104 WeakPolarHBondContact O-CD 3.37Å | ||
| 103 | I | 57.2 | Low | 50.1 | Low | 144 Ų | 144 | 138.2 Ų | 138.2 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -61.4 | 119.1 | 158.6 | -60.4 | 169.4 | 0 | 0 | 0 | 104.5 | S101 E105 | S101-I103 VanDerWaalsContact C-N 3.29Å; S101-I103 PolarHBondContact O-N 2.62Å; I103-E105 PolarHBondContact O-N 3.3Å; I103-E105 VanDerWaalsContact O-N 3.07Å | ||
| 104 | P | 49.7 | Very low | 51.3 | Low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -59.4 | 116.7 | 178.2 | -20.8 | 32.2 | 0 | 0 | 0 | 109.2 | S102 E106 | S102-P104 VanDerWaalsContact O-CD 3.3Å; S102-P104 WeakPolarHBondContact O-CD 3.37Å; P104-E106 PolarHBondContact O-N 3Å | ||
| 105 | E | 57 | Low | 52.2 | Low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -70.7 | 14.7 | -177.4 | -66.9 | -170.1 | 140.3 | 0 | 0 | 113.9 | I103 H107 | I103-E105 PolarHBondContact O-N 3.3Å; I103-E105 VanDerWaalsContact O-N 3.07Å; E105-H107 PolarHBondContact O-N 3.32Å | ||
| 106 | E | 57.7 | Low | 53.1 | Low | 167 Ų | 167 | 137 Ų | 137 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 8.5 | -157.5 | -67.3 | -167 | 158 | 0 | 0 | 117 | P104 | P104-E106 PolarHBondContact O-N 3Š|
| 107 | H | 51.9 | Low | 54.2 | Low | 182 Ų | 182 | 139.6 Ų | 139.6 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | 36 | 173.9 | -59.8 | -41.6 | 0 | 0 | 0 | 114.6 | E105 S109 | E105-H107 PolarHBondContact O-N 3.32Å; H107-S109 PolarHBondContact O-N 3.11Å; H107-S109 VanDerWaalsContact O-N 3.1Å |
| 108 | R | 48.9 | Very low | 55 | Low | 206 Ų | 206 | 134.8 Ų | 134.8 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | trans | -76 | 93.1 | 160.5 | -72.8 | -176 | 179.4 | 169.9 | 3.6 | 108.7 | T110 | R108-T110 VanDerWaalsContact C-N 3.28Å; R108-T110 PolarHBondContact O-N 3.33Å; R108-T110 PolarHBondContact O-OG1 3.39Å | ||
| 109 | S | 66.6 | Low | 55.6 | Low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | -63.1 | 90.5 | 170.1 | 56.1 | 0 | 0 | 0 | 0 | 109.2 | H107 I111 | H107-S109 PolarHBondContact O-N 3.11Å; H107-S109 VanDerWaalsContact O-N 3.1Å; S109-I111 PolarHBondContact O-N 2.83Å | ||
| 110 | T | 64.9 | Low | 56.6 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | trans | -77.6 | 111.2 | 176.5 | -50.6 | 0 | 0 | 0 | 0 | 106.8 | R108 | R108-T110 VanDerWaalsContact C-N 3.28Å; R108-T110 PolarHBondContact O-N 3.33Å; R108-T110 PolarHBondContact O-OG1 3.39Å | ||
| 111 | I | 70 | Confident | 57.5 | Low | 133 Ų | 133 | 129.4 Ų | 129.4 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | trans | -92.1 | 110.3 | 175.8 | -55.3 | 172.9 | 0 | 0 | 0 | 106.5 | S109 I113 | S109-I111 PolarHBondContact O-N 2.83Å; I111-I113 HydrophobicContact CB-CG1 4.46Å; I111-I113 HydrophobicContact CG2-CD1 4.22Å; I111-I113 HydrophobicContact CG2-CG1 3.71Å; I111-I113 PolarHBondContact O-N 3.21Å | ||
| 112 | E | 65.5 | Low | 58.4 | Low | 187 Ų | 187 | 125.8 Ų | 125.8 | 87% | 0.874 | 65% | 0.65 | S | S | * | * | trans | -73.5 | 105.9 | 170.9 | -67.9 | -177.9 | -179.8 | 0 | 0 | 108.7 | ||||
| 113 | I | 66.6 | Low | 59.5 | Low | 110 Ų | 110 | 123.4 Ų | 123.4 | 56% | 0.564 | 64% | 0.64 | S | S | * | * | trans | -105.4 | 119.2 | 174.5 | -56 | 176.3 | 0 | 0 | 0 | 107.3 | I111 V115 | I111-I113 HydrophobicContact CB-CG1 4.46Å; I111-I113 HydrophobicContact CG2-CD1 4.22Å; I111-I113 HydrophobicContact CG2-CG1 3.71Å; I111-I113 PolarHBondContact O-N 3.21Å; I113-V115 HydrophobicContact CB-CG2 4.47Å; I113-V115 HydrophobicContact CG2-CG2 3.87Å; I113-V115 PolarHBondContact O-N 2.92Å | ||
| 114 | Q | 60.4 | Low | 60.4 | Low | 194 Ų | 194 | 123.4 Ų | 123.4 | 91% | 0.907 | 65% | 0.647 | S | S | * | * | trans | -77.9 | 101.4 | 166.5 | -66.2 | -176.2 | 12.8 | 0 | 0 | 107.8 | P116 | Q114-P116 WeakPolarHBondContact O-CD 3.44Š| ||
| 115 | V | 62.8 | Low | 61.9 | Low | 79 Ų | 79 | 122.1 Ų | 122.1 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | trans | -87.3 | 117.5 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | I113 V117 Q233 | I113-V115 HydrophobicContact CB-CG2 4.47Å; I113-V115 HydrophobicContact CG2-CG2 3.87Å; I113-V115 PolarHBondContact O-N 2.92Å; V115-V117 PolarHBondContact O-N 3.41Å; V115-V117 VanDerWaalsContact O-N 3.15Å; V115-Q233 HydrophobicContact CG1-CG 4.31Å; V115-Q233 VanDerWaalsContact CG1-OE1 3.32Å | ||
| 116 | P | 59.1 | Low | 63.2 | Low | 72 Ų | 72 | 116.1 Ų | 116.1 | 47% | 0.468 | 61% | 0.605 | S | S | . | * | trans | -58.8 | 120.6 | 172.1 | -20.4 | 33.5 | 0 | 0 | 0 | 108.6 | Q114 L118 Q228 Q233 | Q114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-L118 VanDerWaalsContact C-N 3.35Å; P116-L118 PolarHBondContact O-N 2.94Å; P116-Q228 VanDerWaalsContact CG-OE1 3.29Å; P116-Q233 PolarHBondContact O-OE1 3.33Å; P116-Q233 VanDerWaalsContact O-OE1 3.09Å | ||
| 117 | V | 58 | Low | 64.6 | Low | 123 Ų | 123 | 110.4 Ų | 110.4 | 75% | 0.745 | 58% | 0.576 | S | S | * | * | trans | -70 | 102.3 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 105.7 | V115 E119 | V115-V117 PolarHBondContact O-N 3.41Å; V115-V117 VanDerWaalsContact O-N 3.15Å; V117-E119 PolarHBondContact O-N 2.73Å; V117-E119 VanDerWaalsContact O-N 3.17Å | ||
| 118 | L | 59.2 | Low | 66.4 | Low | 67 Ų | 67 | 103 Ų | 103 | 35% | 0.351 | 54% | 0.542 | S | S | . | . | trans | -70.7 | 111.3 | 171.8 | -161.7 | 67.8 | 0 | 0 | 0 | 106.9 | P116 D120 I226 | P116-L118 VanDerWaalsContact C-N 3.35Å; P116-L118 PolarHBondContact O-N 2.94Å; L118-D120 WeakPolarHBondContact CD2-OD1 3.19Å; L118-D120 WeakPolarHBondContact CD2-OD2 3.47Å; L118-D120 VanDerWaalsContact CG-CG 3.5Å; L118-D120 WeakPolarHBondContact CG-OD1 3.37Å; L118-D120 PolarHBondContact O-N 2.81Å; L118-I226 HydrophobicContact CD2-CD1 3.27Å | ||
| 119 | E | 52.6 | Low | 68.3 | Low | 157 Ų | 157 | 95.1 Ų | 95.1 | 73% | 0.734 | 51% | 0.514 | S | S | * | . | trans | -72.9 | 65.1 | 171.6 | -66.6 | -175.8 | 167.2 | 0 | 0 | 108.7 | V117 H121 | V117-E119 PolarHBondContact O-N 2.73Å; V117-E119 VanDerWaalsContact O-N 3.17Å; E119-H121 PolarHBondContact O-N 3.25Å; E119-H121 VanDerWaalsContact O-N 3.11Å | ||
| 120 | D | 56.9 | Low | 69.3 | Low | 39 Ų | 39 | 96.9 Ų | 96.9 | 21% | 0.209 | 51% | 0.509 | C | S | . | . | trans | -78.2 | 102.5 | 175.5 | -77 | -20.3 | 0 | 0 | 0 | 108.2 | L118 L122 V235 | L118-D120 WeakPolarHBondContact CD2-OD1 3.19Å; L118-D120 WeakPolarHBondContact CD2-OD2 3.47Å; L118-D120 VanDerWaalsContact CG-CG 3.5Å; L118-D120 WeakPolarHBondContact CG-OD1 3.37Å; L118-D120 PolarHBondContact O-N 2.81Å; D120-L122 HydrophobicContact CB-CD1 3.41Å; D120-L122 VanDerWaalsContact CB-CD1 3.41Å; D120-L122 HydrophobicContact CB-CG 3.92Å; D120-L122 PolarHBondContact O-N 3.23Å; D120-V235 HydrophobicContact CB-CG1 4.16Å; D120-V235 WeakPolarHBondContact OD2-CG1 3.47Å | ||
| 121 | H | 55.4 | Low | 70.3 | Confident | 150 Ų | 150 | 94.1 Ų | 94.1 | 69% | 0.694 | 49% | 0.489 | S | S | * | . | trans | -69.4 | 47.3 | 164.1 | -57.8 | -57.3 | 0 | 0 | 0 | 111.2 | E119 G123 | E119-H121 PolarHBondContact O-N 3.25Å; E119-H121 VanDerWaalsContact O-N 3.11Å; H121-G123 PolarHBondContact O-N 2.76Å | ||
| 122 | L | 62.5 | Low | 71.1 | Confident | 37 Ų | 37 | 89.2 Ų | 89.2 | 19% | 0.194 | 47% | 0.466 | C | S | . | . | trans | -62 | 107 | 161.9 | -70 | 145.4 | 0 | 0 | 0 | 104.8 | Y21 D120 V235 T236 | Y21-L122 HydrophobicContact CD2-CD2 4.25Å; D120-L122 HydrophobicContact CB-CD1 3.41Å; D120-L122 VanDerWaalsContact CB-CD1 3.41Å; D120-L122 HydrophobicContact CB-CG 3.92Å; D120-L122 PolarHBondContact O-N 3.23Å; L122-V235 HydrophobicContact CD1-CG1 3.21Å; L122-T236 HydrophobicContact CD1-CG2 4.16Å; L122-T236 HydrophobicContact CD2-CG2 4.48Å | ||
| 123 | G | 66.9 | Low | 71.9 | Confident | 40 Ų | 40 | 88.1 Ų | 88.1 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | trans | -56.4 | -172.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H121 E125 | H121-G123 PolarHBondContact O-N 2.76Å; G123-E125 PolarHBondContact O-N 3.09Å; G123-E125 VanDerWaalsContact O-N 3.09Å | ||
| 124 | T | 75.3 | Confident | 72.7 | Confident | 144 Ų | 144 | 83.9 Ų | 83.9 | 88% | 0.883 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -61.5 | -24.4 | -175.4 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 125 | E | 82.2 | Confident | 73.9 | Confident | 84 Ų | 84 | 75 Ų | 75 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | trans | -122.8 | 116.9 | 179.8 | -61.8 | -166.8 | 144.9 | 0 | 0 | 111.5 | G123 Y127 R195 K240 | G123-E125 PolarHBondContact O-N 3.09Å; G123-E125 VanDerWaalsContact O-N 3.09Å; E125-Y127 HydrophobicContact CB-CE2 3.74Å; E125-Y127 PolarHBondContact OE2-OH 2.92Å; E125-R195 IonicContact OE2-NH1 3.54Å; E125-K240 IonicContact OE1-NZ 3.6Å | ||
| 126 | N | 84.6 | Confident | 75 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 20% | 0.198 | 39% | 0.391 | C | S | . | . | trans | -106.5 | 132 | 176.8 | -66.7 | -46.9 | 0 | 0 | 0 | 111 | T236 F238 | N126-T236 HydrophobicContact CB-CG2 4.46Å; N126-T236 PolarHBondContact ND2-OG1 3.11Å; N126-F238 HydrophobicContact CB-CD1 3.92Å; N126-F238 HydrophobicContact CB-CE1 4.03Å | ||
| 127 | Y | 87.4 | Confident | 76.5 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 18% | 0.18 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131 | -175.6 | -68.4 | -82.7 | 0 | 0 | 0 | 111 | E125 V214 K240 L242 | E125-Y127 HydrophobicContact CB-CE2 3.74Å; E125-Y127 PolarHBondContact OE2-OH 2.92Å; Y127-V214 HydrophobicContact CE1-CG1 4.35Å; Y127-K240 HydrophobicContact CD1-CB 3.89Å; Y127-K240 HydrophobicContact CD1-CD 4.41Å; Y127-K240 HydrophobicContact CE1-CB 4.03Å; Y127-K240 HydrophobicContact CE1-CD 3.7Å; Y127-L242 HydrophobicContact CD1-CD1 4.04Å; Y127-L242 HydrophobicContact CD1-CD2 3.63Å; Y127-L242 HydrophobicContact CD1-CG 3.79Å; Y127-L242 HydrophobicContact CE1-CD2 4.08Å; Y127-L242 HydrophobicContact CG-CD1 3.91Å; Y127-L242 HydrophobicContact CG-CD2 4.35Å; Y127-L242 HydrophobicContact CG-CG 4.1Å |
| 128 | F | 88.3 | Confident | 78 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 131.3 | 171.8 | 178.6 | -105.7 | 0 | 0 | 0 | 110.4 | K130 M217 F238 K240 K241 L242 | F128-K130 HydrophobicContact CE1-CB 4.43Å; F128-M217 HydrophobicContact CB-SD 4.02Å; F128-M217 HydrophobicContact CD1-SD 4.17Å; F128-M217 HydrophobicContact CG-SD 4.37Å; F128-F238 HydrophobicContact CB-CB 3.93Å; F128-F238 HydrophobicContact CB-CD1 4.19Å; F128-F238 HydrophobicContact CB-CD2 4.39Å; F128-F238 HydrophobicContact CB-CG 3.93Å; F128-F238 HydrophobicContact CD2-CD2 4.43Å; F128-K240 PolarHBondContact N-O 2.98Å; F128-K241 HydrophobicContact CD1-CB 4.39Å; F128-K241 HydrophobicContact CD1-CD 4.08Å; F128-K241 HydrophobicContact CD1-CG 3.96Å; F128-K241 HydrophobicContact CE1-CD 4.41Å; F128-K241 CarbonylContact O-C 3.58Å; F128-K241 WeakPolarHBondContact O-CA 2.93Å; F128-L242 PolarHBondContact O-N 2.94Å |
| 129 | I | 89.6 | Confident | 79.3 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 21% | 0.205 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.3 | -176.9 | -51.5 | -177 | 0 | 0 | 0 | 108.8 | M20 L131 L242 F244 | M20-I129 HydrophobicContact CE-CD1 4.31Å; I129-L131 HydrophobicContact CG2-CD2 4.03Å; I129-L242 HydrophobicContact CD1-CD1 4.08Å; I129-L242 HydrophobicContact CG1-CB 4.16Å; I129-L242 HydrophobicContact CG1-CD1 4.12Å; I129-L242 HydrophobicContact CG1-CG 4.46Å; I129-F244 HydrophobicContact CD1-CZ 4.09Å; I129-F244 HydrophobicContact CG2-CD2 4.18Å; I129-F244 HydrophobicContact CG2-CE2 3.25Å; I129-F244 HydrophobicContact CG2-CZ 3.6Å |
| 130 | K | 86.4 | Confident | 81 | Confident | 145 Ų | 145 | 66.1 Ų | 66.1 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | trans | -95.5 | 107.7 | 166.2 | -176 | 170.3 | -176.3 | 170.1 | 0 | 108.3 | F128 P132 | F128-K130 HydrophobicContact CE1-CB 4.43Å; K130-P132 VanDerWaalsContact O-CD 3.24Å; K130-P132 WeakPolarHBondContact O-CD 3.29Å | ||
| 131 | L | 87 | Confident | 82.4 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | trans | -63.6 | 119.7 | -178.8 | -65.9 | 176.4 | 0 | 0 | 0 | 110.9 | I129 V135 I137 F244 | I129-L131 HydrophobicContact CG2-CD2 4.03Å; L131-V135 HydrophobicContact CD2-CG1 4.32Å; L131-I137 HydrophobicContact CD1-CB 4.17Å; L131-I137 HydrophobicContact CD1-CD1 3.9Å; L131-I137 HydrophobicContact CD1-CG1 3.66Å; L131-I137 HydrophobicContact CD2-CD1 3.72Å; L131-I137 HydrophobicContact CD2-CG1 3.83Å; L131-I137 HydrophobicContact CG-CD1 4.31Å; L131-I137 HydrophobicContact CG-CG1 4.38Å; L131-F244 HydrophobicContact CD2-CE2 4.23Å | ||
| 132 | P | 86.2 | Confident | 83.9 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 20% | 0.201 | 33% | 0.334 | C | S | . | . | trans | -68.7 | 158.8 | 170.7 | -19.1 | 34 | 0 | 0 | 0 | 111.2 | K130 F134 V135 F244 | K130-P132 VanDerWaalsContact O-CD 3.24Å; K130-P132 WeakPolarHBondContact O-CD 3.29Å; P132-F134 HydrophobicContact CB-CD1 3.53Å; P132-F134 HydrophobicContact CB-CE1 3.18Å; P132-F134 HydrophobicContact CB-CE2 4.21Å; P132-F134 HydrophobicContact CB-CG 4.2Å; P132-F134 HydrophobicContact CB-CZ 3.55Å; P132-F134 HydrophobicContact CG-CD1 4.5Å; P132-F134 HydrophobicContact CG-CE1 3.78Å; P132-F134 HydrophobicContact CG-CE2 4.26Å; P132-F134 HydrophobicContact CG-CZ 3.62Å; P132-F134 PolarHBondContact O-N 3.17Å; P132-V135 PolarHBondContact O-N 2.75Å; P132-F244 HydrophobicContact CG-CB 4.17Å; P132-F244 HydrophobicContact CG-CD2 4.41Å | ||
| 133 | N | 82.2 | Confident | 84.9 | Confident | 163 Ų | 163 | 63.3 Ų | 63.3 | 87% | 0.872 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -13.6 | 179.6 | -64.5 | -3.7 | 0 | 0 | 0 | 115.2 | ||
| 134 | F | 83.7 | Confident | 85.6 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 10% | 0.096 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 0.2 | 178.8 | 61.7 | -97.1 | 0 | 0 | 0 | 113.8 | P132 L167 N171 F210 F244 M257 | P132-F134 HydrophobicContact CB-CD1 3.53Å; P132-F134 HydrophobicContact CB-CE1 3.18Å; P132-F134 HydrophobicContact CB-CE2 4.21Å; P132-F134 HydrophobicContact CB-CG 4.2Å; P132-F134 HydrophobicContact CB-CZ 3.55Å; P132-F134 HydrophobicContact CG-CD1 4.5Å; P132-F134 HydrophobicContact CG-CE1 3.78Å; P132-F134 HydrophobicContact CG-CE2 4.26Å; P132-F134 HydrophobicContact CG-CZ 3.62Å; P132-F134 PolarHBondContact O-N 3.17Å; F134-L167 HydrophobicContact CB-CD2 4.02Å; F134-N171 WeakPolarHBondContact O-CB 3.4Å; F134-N171 PolarHBondContact O-ND2 2.79Å; F134-F210 HydrophobicContact CD2-CD1 4.4Å; F134-F210 AromaticContact CD2-CE1 3.8Å; F134-F210 HydrophobicContact CD2-CE1 3.8Å; F134-F210 AromaticContact CE2-CD1 3.87Å; F134-F210 HydrophobicContact CE2-CD1 3.87Å; F134-F210 AromaticContact CE2-CE1 3.75Å; F134-F210 HydrophobicContact CE2-CE1 3.75Å; F134-F244 HydrophobicContact CE2-CB 4.41Å; F134-F244 HydrophobicContact CZ-CB 4.35Å; F134-M257 HydrophobicContact CB-CG 4.36Å; F134-M257 HydrophobicContact CB-SD 3.69Å; F134-M257 HydrophobicContact CD1-CE 3.82Å; F134-M257 HydrophobicContact CD1-SD 3.33Å; F134-M257 WeakPolarHBondContact CD1-SD 3.31Å; F134-M257 HydrophobicContact CE1-CE 4.14Å; F134-M257 HydrophobicContact CE1-SD 4.13Å; F134-M257 HydrophobicContact CG-CE 4.11Å; F134-M257 HydrophobicContact CG-SD 3.69Å |
| 135 | V | 86 | Confident | 85.7 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | trans | -133.1 | 130.4 | 173.8 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | L131 P132 N171 I173 I205 F210 | L131-V135 HydrophobicContact CD2-CG1 4.32Å; P132-V135 PolarHBondContact O-N 2.75Å; V135-N171 WeakPolarHBondContact CA-O 3.32Å; V135-I173 HydrophobicContact CG1-CD1 4.12Å; V135-I173 HydrophobicContact CG1-CG1 4.25Å; V135-I205 HydrophobicContact CG1-CD1 3.74Å; V135-I205 HydrophobicContact CG2-CD1 4.23Å; V135-F210 HydrophobicContact CG2-CE1 4.4Å; V135-F210 HydrophobicContact CG2-CZ 4.37Å | ||
| 136 | S | 86.2 | Confident | 85.3 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 158 | 171.4 | 35.6 | 0 | 0 | 0 | 0 | 110.4 | N171 T172 I173 | S136-N171 PolarHBondContact N-O 2.89Å; S136-N171 VanDerWaalsContact N-O 3.11Å; S136-T172 CarbonylContact O-C 3.47Å; S136-T172 VanDerWaalsContact O-CA 3.3Å; S136-T172 WeakPolarHBondContact O-CA 3.24Å; S136-T172 PolarHBondContact OG-OG1 3.36Å; S136-I173 PolarHBondContact O-N 3.32Å |
| 137 | I | 89.4 | Confident | 84.6 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 18% | 0.179 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.9 | 169.6 | -54 | 179.5 | 0 | 0 | 0 | 108.1 | V22 L131 I173 | V22-I137 HydrophobicContact CG1-CB 4.39Å; V22-I137 HydrophobicContact CG1-CD1 4.47Å; V22-I137 HydrophobicContact CG1-CG2 4.21Å; V22-I137 HydrophobicContact CG2-CD1 4.18Å; V22-I137 HydrophobicContact CG2-CG2 3.63Å; L131-I137 HydrophobicContact CD1-CB 4.17Å; L131-I137 HydrophobicContact CD1-CD1 3.9Å; L131-I137 HydrophobicContact CD1-CG1 3.66Å; L131-I137 HydrophobicContact CD2-CD1 3.72Å; L131-I137 HydrophobicContact CD2-CG1 3.83Å; L131-I137 HydrophobicContact CG-CD1 4.31Å; L131-I137 HydrophobicContact CG-CG1 4.38Å; I137-I173 WeakPolarHBondContact CA-O 3.24Å; I137-I173 HydrophobicContact CB-CB 4.41Å; I137-I173 HydrophobicContact CD1-CD1 4.28Å; I137-I173 HydrophobicContact CG1-CB 4.01Å; I137-I173 HydrophobicContact CG1-CD1 4.01Å; I137-I173 HydrophobicContact CG1-CG1 4.35Å; I137-I173 HydrophobicContact CG2-CB 4.22Å; I137-I173 HydrophobicContact CG2-CG2 4.33Å |
| 138 | D | 89.3 | Confident | 83.7 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.9 | 168.8 | -170.7 | -5.7 | 0 | 0 | 0 | 109.2 | Q140 T172 I173 R174 | D138-Q140 VanDerWaalsContact C-N 3.26Å; D138-Q140 PolarHBondContact O-N 3.32Å; D138-Q140 PolarHBondContact OD1-N 2.94Å; D138-T172 HydrophobicContact CB-CG2 4.1Å; D138-I173 PolarHBondContact N-O 2.87Å; D138-R174 HydrophobicContact CB-CG 4.07Å |
| 139 | P | 87.3 | Confident | 82.4 | Confident | 65 Ų | 65 | 82.4 Ų | 82.4 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -23.1 | 178.4 | 29 | -34.2 | 0 | 0 | 0 | 112.4 | W175 | P139-W175 PolarHBondContact O-NE1 3.37Å |
| 140 | Q | 87.7 | Confident | 80.9 | Confident | 129 Ų | 129 | 88.8 Ų | 88.8 | 60% | 0.603 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 148.6 | -177.1 | -64.4 | -58.4 | -38.4 | 0 | 0 | 111.8 | D138 H142 W175 | D138-Q140 VanDerWaalsContact C-N 3.26Å; D138-Q140 PolarHBondContact O-N 3.32Å; D138-Q140 PolarHBondContact OD1-N 2.94Å; Q140-H142 PolarHBondContact O-N 3.44Å; Q140-W175 PolarHBondContact O-NE1 3.04Å |
| 141 | P | 88 | Confident | 79 | Confident | 50 Ų | 50 | 85.7 Ų | 85.7 | 33% | 0.325 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 121.2 | 170.4 | -6.3 | 16.9 | 0 | 0 | 0 | 109.6 | D143 W175 | P141-D143 PolarHBondContact O-N 2.84Å; P141-W175 CarbonylContact C-O 3.58Å; P141-W175 WeakPolarHBondContact CA-O 3.43Å; P141-W175 HydrophobicContact CB-CD2 4.48Å; P141-W175 HydrophobicContact CB-CH2 4.05Å; P141-W175 HydrophobicContact CB-CZ2 3.96Å; P141-W175 HydrophobicContact CB-CZ3 4.31Å; P141-W175 HydrophobicContact CG-CH2 3.71Å; P141-W175 HydrophobicContact CG-CZ2 3.53Å; P141-W175 HydrophobicContact CG-CZ3 4.44Å |
| 142 | H | 85.6 | Confident | 77.2 | Confident | 46 Ų | 46 | 87 Ų | 87 | 21% | 0.213 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 116 | 177.7 | 178.2 | -81.4 | 0 | 0 | 0 | 110.9 | Q140 F147 R174 W175 R176 | Q140-H142 PolarHBondContact O-N 3.44Å; H142-F147 AromaticContact CD2-CD2 3.92Å; H142-F147 AromaticContact NE2-CD2 3.82Å; H142-F147 AromaticContact NE2-CG 3.9Å; H142-R174 HydrophobicContact CB-CB 4.12Å; H142-R174 VanDerWaalsContact CD2-CD 3.42Å; H142-R174 WeakPolarHBondContact CD2-CD 3.35Å; H142-R174 PolarHBondContact NE2-NH1 2.87Å; H142-W175 WeakPolarHBondContact CB-O 3.4Å; H142-W175 PolarHBondContact N-O 3.49Å; H142-R176 HydrophobicContact CB-CB 4.41Å; H142-R176 WeakPolarHBondContact O-CB 3.42Å |
| 143 | D | 84.2 | Confident | 75.3 | Confident | 71 Ų | 71 | 92.6 Ų | 92.6 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | trans | -112.4 | 118.8 | 172.5 | 179.5 | 31.2 | 0 | 0 | 0 | 109 | P141 E145 T146 F147 | P141-D143 PolarHBondContact O-N 2.84Å; D143-E145 PolarHBondContact O-N 2.74Å; D143-T146 PolarHBondContact O-N 3.41Å; D143-T146 WeakPolarHBondContact OD2-CB 3.27Å; D143-T146 PolarHBondContact OD2-N 3.48Å; D143-T146 PolarHBondContact OD2-OG1 3.47Å; D143-F147 WeakPolarHBondContact O-CB 3.45Å; D143-F147 PolarHBondContact O-N 3.27Å | ||
| 144 | P | 80.8 | Confident | 73.6 | Confident | 94 Ų | 94 | 92.4 Ų | 92.4 | 61% | 0.61 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.3 | -176.4 | 25.8 | -36.2 | 0 | 0 | 0 | 113.8 | ||
| 145 | E | 76.8 | Confident | 72 | Confident | 182 Ų | 182 | 100.2 Ų | 100.2 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -39.8 | -179.7 | -62.2 | -173.4 | 175.6 | 0 | 0 | 111.9 | D143 F147 | D143-E145 PolarHBondContact O-N 2.74Å; E145-F147 VanDerWaalsContact C-N 3.29Å |
| 146 | T | 74.8 | Confident | 70.6 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 66% | 0.663 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.7 | 176 | -47.5 | 0 | 0 | 0 | 0 | 112.4 | D143 E148 | D143-T146 PolarHBondContact O-N 3.41Å; D143-T146 WeakPolarHBondContact OD2-CB 3.27Å; D143-T146 PolarHBondContact OD2-N 3.48Å; D143-T146 PolarHBondContact OD2-OG1 3.47Å; T146-E148 VanDerWaalsContact C-N 3.25Å; T146-E148 PolarHBondContact O-N 2.78Å |
| 147 | F | 70.2 | Confident | 69.3 | Low | 77 Ų | 77 | 109.6 Ų | 109.6 | 34% | 0.338 | 56% | 0.561 | S | S | . | * | trans | -72.2 | 84.3 | 178.2 | -172.6 | -102.5 | 0 | 0 | 0 | 110.3 | H142 D143 E145 M149 R174 | H142-F147 AromaticContact CD2-CD2 3.92Å; H142-F147 AromaticContact NE2-CD2 3.82Å; H142-F147 AromaticContact NE2-CG 3.9Å; D143-F147 WeakPolarHBondContact O-CB 3.45Å; D143-F147 PolarHBondContact O-N 3.27Å; E145-F147 VanDerWaalsContact C-N 3.29Å; F147-M149 HydrophobicContact CD1-CG 4.42Å; F147-M149 HydrophobicContact CE1-CG 3.76Å; F147-M149 PolarHBondContact O-N 2.95Å; F147-R174 VanDerWaalsContact CE2-NH1 3.34Å; F147-R174 VanDerWaalsContact CZ-NH1 3.34Å | ||
| 148 | E | 67.2 | Low | 68.2 | Low | 161 Ų | 161 | 112.4 Ų | 112.4 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | trans | -67.5 | 120.9 | 157.9 | -64.2 | -176.7 | 175 | 0 | 0 | 106.2 | T146 E150 | T146-E148 VanDerWaalsContact C-N 3.25Å; T146-E148 PolarHBondContact O-N 2.78Å; E148-E150 PolarHBondContact O-N 3.49Å | ||
| 149 | M | 61 | Low | 67.1 | Low | 158 Ų | 158 | 116.7 Ų | 116.7 | 78% | 0.778 | 60% | 0.595 | S | S | * | * | trans | -59.5 | 96 | 159.1 | -74 | -175 | -63.3 | 0 | 0 | 104.1 | F147 P151 | F147-M149 HydrophobicContact CD1-CG 4.42Å; F147-M149 HydrophobicContact CE1-CG 3.76Å; F147-M149 PolarHBondContact O-N 2.95Å; M149-P151 VanDerWaalsContact O-CD 3.24Å; M149-P151 WeakPolarHBondContact O-CD 3.44Å | ||
| 150 | E | 57.8 | Low | 66.2 | Low | 174 Ų | 174 | 116.4 Ų | 116.4 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | trans | -38.3 | 108.8 | 179 | -175.5 | -180 | -169.7 | 0 | 0 | 105.7 | E148 E152 | E148-E150 PolarHBondContact O-N 3.49Å; E150-E152 VanDerWaalsContact C-N 3.31Å; E150-E152 PolarHBondContact O-N 2.87Å | ||
| 151 | P | 47.9 | Very low | 65.2 | Low | 80 Ų | 80 | 110.7 Ų | 110.7 | 52% | 0.519 | 56% | 0.564 | S | S | . | * | trans | -59.6 | 112.4 | 175.4 | 22.4 | -28 | 0 | 0 | 0 | 102.3 | M149 E153 | M149-P151 VanDerWaalsContact O-CD 3.24Å; M149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-E153 HydrophobicContact CB-CG 4.13Å; P151-E153 HydrophobicContact CG-CG 4.07Å; P151-E153 PolarHBondContact O-N 3.18Å | ||
| 152 | E | 49.3 | Very low | 64.2 | Low | 91 Ų | 91 | 117.4 Ų | 117.4 | 43% | 0.425 | 58% | 0.582 | S | S | . | * | trans | -67.6 | 84 | 167.5 | -166.7 | 176.7 | -134 | 0 | 0 | 103.8 | E150 D154 V156 V165 | E150-E152 VanDerWaalsContact C-N 3.31Å; E150-E152 PolarHBondContact O-N 2.87Å; E152-D154 PolarHBondContact O-N 3.22Å; E152-V156 HydrophobicContact CB-CG2 4.4Å; E152-V156 HydrophobicContact CG-CG2 3.87Å; E152-V156 WeakPolarHBondContact OE2-CG2 3.3Å; E152-V165 VanDerWaalsContact CD-CG2 3.42Å; E152-V165 WeakPolarHBondContact OE2-CG2 3.35Å | ||
| 153 | E | 44.8 | Very low | 63.2 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | trans | -56.4 | 108.3 | -171.6 | -78.4 | 178.6 | 163.8 | 0 | 0 | 107.6 | P151 Q155 | P151-E153 HydrophobicContact CB-CG 4.13Å; P151-E153 HydrophobicContact CG-CG 4.07Å; P151-E153 PolarHBondContact O-N 3.18Å; E153-Q155 PolarHBondContact O-N 3.35Å | ||
| 154 | D | 47.8 | Very low | 62.3 | Low | 159 Ų | 159 | 121.2 Ų | 121.2 | 85% | 0.85 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 66.3 | 15.7 | 138.9 | -61.5 | -19.9 | 0 | 0 | 0 | 120 | E152 | E152-D154 PolarHBondContact O-N 3.22Š|
| 155 | Q | 50 | Low | 61.5 | Low | 186 Ų | 186 | 118.9 Ų | 118.9 | 87% | 0.869 | 58% | 0.575 | S | S | * | * | trans | -125.6 | 5.3 | 175.2 | -79.7 | 174.1 | 27 | 0 | 0 | 117.7 | E153 M157 | E153-Q155 PolarHBondContact O-N 3.35Å; Q155-M157 PolarHBondContact O-N 3.48Å | ||
| 156 | V | 56.7 | Low | 61 | Low | 48 Ų | 48 | 115.6 Ų | 115.6 | 29% | 0.291 | 56% | 0.558 | S | S | . | * | trans | -102.9 | 72.5 | -172.9 | -125.1 | 0 | 0 | 0 | 0 | 112.9 | E152 D158 G161 | E152-V156 HydrophobicContact CB-CG2 4.4Å; E152-V156 HydrophobicContact CG-CG2 3.87Å; E152-V156 WeakPolarHBondContact OE2-CG2 3.3Å; V156-D158 VanDerWaalsContact C-N 3.26Å; V156-G161 VanDerWaalsContact CG1-CA 3.47Å | ||
| 157 | M | 59.5 | Low | 60.8 | Low | 192 Ų | 192 | 111.2 Ų | 111.2 | 95% | 0.946 | 53% | 0.53 | S | S | * | . | trans | -75.9 | -12.7 | 168.6 | -84.2 | -136.2 | -67.6 | 0 | 0 | 113.6 | Q155 | Q155-M157 PolarHBondContact O-N 3.48Š| ||
| 158 | D | 65.8 | Low | 60.8 | Low | 93 Ų | 93 | 112.1 Ų | 112.1 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -93.7 | 132.8 | -177.1 | -75 | -51.3 | 0 | 0 | 0 | 112.3 | V156 E160 G161 R162 K267 | V156-D158 VanDerWaalsContact C-N 3.26Å; D158-E160 PolarHBondContact O-N 3.29Å; D158-G161 PolarHBondContact O-N 3.33Å; D158-R162 PolarHBondContact O-N 3.35Å; D158-K267 IonicContact OD1-NZ 3.29Å; D158-K267 PolarHBondContact OD1-NZ 3.4Å |
| 159 | E | 66.3 | Low | 61.1 | Low | 139 Ų | 139 | 108.2 Ų | 108.2 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -53 | -26.3 | 173.1 | -62.4 | -176.9 | 176 | 0 | 0 | 113 | K163 | E159-K163 WeakPolarHBondContact O-CB 3.33Å; E159-K163 VanDerWaalsContact O-CG 3.24Å; E159-K163 WeakPolarHBondContact O-CG 3.41Å; E159-K163 PolarHBondContact O-N 3.33Å; E159-K163 IonicContact OE2-NZ 3.87Å |
| 160 | E | 68.2 | Low | 61.9 | Low | 58 Ų | 58 | 104.6 Ų | 104.6 | 27% | 0.271 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 177.2 | -171.5 | 173.9 | 173.4 | 0 | 0 | 112.3 | D158 K163 R164 R264 | D158-E160 PolarHBondContact O-N 3.29Å; E160-K163 PolarHBondContact O-N 3.27Å; E160-R164 PolarHBondContact O-N 2.76Å; E160-R264 IonicContact OE1-CZ 3.41Å; E160-R264 IonicContact OE1-NE 3.42Å; E160-R264 PolarHBondContact OE1-NE 3.11Å; E160-R264 IonicContact OE1-NH2 2.69Å; E160-R264 PolarHBondContact OE1-NH2 3.19Å |
| 161 | G | 66.2 | Low | 63.2 | Low | 10 Ų | 10 | 96.6 Ų | 96.6 | 10% | 0.103 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -71.8 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V156 D158 K163 R164 V165 | V156-G161 VanDerWaalsContact CG1-CA 3.47Å; D158-G161 PolarHBondContact O-N 3.33Å; G161-K163 VanDerWaalsContact C-N 3.29Å; G161-K163 PolarHBondContact O-N 3.36Å; G161-R164 CarbonylContact O-C 3.44Å; G161-R164 WeakPolarHBondContact O-CA 3.31Å; G161-R164 WeakPolarHBondContact O-CB 3.46Å; G161-R164 PolarHBondContact O-N 3.44Å; G161-V165 WeakPolarHBondContact O-CG2 3.38Å; G161-V165 PolarHBondContact O-N 3.47Å |
| 162 | R | 66.6 | Low | 65 | Low | 190 Ų | 190 | 93.5 Ų | 93.5 | 72% | 0.717 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -56.7 | -42.8 | 170.6 | -72.3 | -171.7 | 174.4 | -166.2 | -2.8 | 112.5 | D158 R164 V165 K166 | D158-R162 PolarHBondContact O-N 3.35Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R162-V165 PolarHBondContact O-N 2.89Å; R162-K166 PolarHBondContact O-N 2.75Å; R162-K166 VanDerWaalsContact O-N 3.09Å |
| 163 | K | 65.1 | Low | 67 | Low | 65 Ų | 65 | 89.8 Ų | 89.8 | 28% | 0.283 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 175.1 | -73 | 169 | -165.6 | 173 | 0 | 110.1 | E159 E160 G161 K166 L167 D263 | E159-K163 WeakPolarHBondContact O-CB 3.33Å; E159-K163 VanDerWaalsContact O-CG 3.24Å; E159-K163 WeakPolarHBondContact O-CG 3.41Å; E159-K163 PolarHBondContact O-N 3.33Å; E159-K163 IonicContact OE2-NZ 3.87Å; E160-K163 PolarHBondContact O-N 3.27Å; G161-K163 VanDerWaalsContact C-N 3.29Å; G161-K163 PolarHBondContact O-N 3.36Å; K163-K166 PolarHBondContact O-N 3.48Å; K163-L167 WeakPolarHBondContact O-CD1 3.35Å; K163-L167 PolarHBondContact O-N 2.94Å; K163-D263 IonicContact NZ-OD1 3.96Å; K163-D263 IonicContact NZ-OD2 2.54Å; K163-D263 PolarHBondContact NZ-OD2 2.9Å |
| 164 | R | 65.3 | Low | 69.2 | Low | 133 Ų | 133 | 84.7 Ų | 84.7 | 50% | 0.502 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 177.2 | -167.7 | -176.4 | -62.7 | 163.4 | 2.2 | 112.8 | E160 G161 R162 K166 L167 K168 | E160-R164 PolarHBondContact O-N 2.76Å; G161-R164 CarbonylContact O-C 3.44Å; G161-R164 WeakPolarHBondContact O-CA 3.31Å; G161-R164 WeakPolarHBondContact O-CB 3.46Å; G161-R164 PolarHBondContact O-N 3.44Å; R162-R164 VanDerWaalsContact C-N 3.34Å; R164-K166 VanDerWaalsContact C-N 3.29Å; R164-K166 PolarHBondContact O-N 3.4Å; R164-L167 PolarHBondContact O-N 3.36Å; R164-K168 WeakPolarHBondContact O-CG 3.28Å; R164-K168 PolarHBondContact O-N 3.33Å |
| 165 | V | 64.9 | Low | 71.3 | Confident | 45 Ų | 45 | 81.1 Ų | 81.1 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.6 | -46.8 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | E152 G161 R162 L167 K168 V169 | E152-V165 VanDerWaalsContact CD-CG2 3.42Å; E152-V165 WeakPolarHBondContact OE2-CG2 3.35Å; G161-V165 WeakPolarHBondContact O-CG2 3.38Å; G161-V165 PolarHBondContact O-N 3.47Å; R162-V165 PolarHBondContact O-N 2.89Å; V165-L167 VanDerWaalsContact C-N 3.29Å; V165-L167 PolarHBondContact O-N 2.84Å; V165-K168 WeakPolarHBondContact O-CB 3.31Å; V165-K168 PolarHBondContact O-N 2.91Å; V165-V169 HydrophobicContact CG1-CG2 4.16Å; V165-V169 WeakPolarHBondContact O-CG2 3.28Å; V165-V169 PolarHBondContact O-N 2.85Å |
| 166 | K | 65.2 | Low | 73.3 | Confident | 113 Ų | 113 | 77.3 Ų | 77.3 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | -178.1 | -151.5 | -177.2 | 179.9 | -158.6 | 0 | 112.4 | R162 K163 R164 E170 R256 | R162-K166 PolarHBondContact O-N 2.75Å; R162-K166 VanDerWaalsContact O-N 3.09Å; K163-K166 PolarHBondContact O-N 3.48Å; R164-K166 VanDerWaalsContact C-N 3.29Å; R164-K166 PolarHBondContact O-N 3.4Å; K166-E170 PolarHBondContact O-N 3.48Å; K166-R256 VanDerWaalsContact C-NH1 3.25Å; K166-R256 VanDerWaalsContact CD-CZ 3.42Å; K166-R256 PolarHBondContact O-NH1 3.33Å |
| 167 | L | 71.8 | Confident | 74.9 | Confident | 15 Ų | 15 | 81.3 Ų | 81.3 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65 | -45 | 171.3 | -83.4 | 89.7 | 0 | 0 | 0 | 111.6 | F134 K163 R164 V165 V169 N171 R256 M257 | F134-L167 HydrophobicContact CB-CD2 4.02Å; K163-L167 WeakPolarHBondContact O-CD1 3.35Å; K163-L167 PolarHBondContact O-N 2.94Å; R164-L167 PolarHBondContact O-N 3.36Å; V165-L167 VanDerWaalsContact C-N 3.29Å; V165-L167 PolarHBondContact O-N 2.84Å; L167-V169 PolarHBondContact O-N 3.3Å; L167-N171 VanDerWaalsContact O-CB 3.3Å; L167-N171 WeakPolarHBondContact O-CB 3.43Å; L167-N171 PolarHBondContact O-N 3.41Å; L167-R256 HydrophobicContact CD1-CB 3.84Å; L167-R256 HydrophobicContact CD1-CG 4.49Å; L167-R256 HydrophobicContact CG-CB 4.31Å; L167-M257 HydrophobicContact CD2-CG 3.84Å |
| 168 | K | 69.9 | Low | 76.3 | Confident | 97 Ų | 97 | 74 Ų | 74 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.2 | -51.3 | 177.7 | -71.6 | 177.2 | 176.4 | -178.3 | 0 | 110.2 | R164 V165 E170 N171 T172 | R164-K168 WeakPolarHBondContact O-CG 3.28Å; R164-K168 PolarHBondContact O-N 3.33Å; V165-K168 WeakPolarHBondContact O-CB 3.31Å; V165-K168 PolarHBondContact O-N 2.91Å; K168-E170 PolarHBondContact O-N 3.47Å; K168-N171 CarbonylContact O-C 3.56Å; K168-N171 PolarHBondContact O-N 2.98Å; K168-T172 WeakPolarHBondContact O-CB 3.3Å; K168-T172 PolarHBondContact O-N 2.92Å; K168-T172 VanDerWaalsContact O-N 3.09Å; K168-T172 PolarHBondContact O-OG1 3.36Å |
| 169 | V | 72.2 | Confident | 77.5 | Confident | 78 Ų | 78 | 74 Ų | 74 | 47% | 0.473 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.4 | -48 | -175.1 | 174.2 | 0 | 0 | 0 | 0 | 112.4 | V165 L167 | V165-V169 HydrophobicContact CG1-CG2 4.16Å; V165-V169 WeakPolarHBondContact O-CG2 3.28Å; V165-V169 PolarHBondContact O-N 2.85Å; L167-V169 PolarHBondContact O-N 3.3Å |
| 170 | E | 79.7 | Confident | 78.6 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -79.1 | -31.8 | -175.7 | -70.9 | 165.5 | -168.5 | 0 | 0 | 113 | K166 K168 F252 R256 | K166-E170 PolarHBondContact O-N 3.48Å; K168-E170 PolarHBondContact O-N 3.47Å; E170-F252 WeakPolarHBondContact OE2-CE1 3.31Å; E170-R256 IonicContact OE1-CZ 3.61Å; E170-R256 IonicContact OE1-NH1 3.57Å; E170-R256 IonicContact OE1-NH2 2.71Å; E170-R256 PolarHBondContact OE1-NH2 3.06Å; E170-R256 IonicContact OE2-CZ 3.1Å; E170-R256 IonicContact OE2-NH1 2.71Å; E170-R256 PolarHBondContact OE2-NH1 3.23Å; E170-R256 IonicContact OE2-NH2 2.89Å; E170-R256 PolarHBondContact OE2-NH2 3.24Å |
| 171 | N | 83.8 | Confident | 79.6 | Confident | 6 Ų | 6 | 77.7 Ų | 77.7 | 3% | 0.032 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 30.9 | -178.7 | -58.4 | -10.7 | 0 | 0 | 0 | 112.8 | F134 V135 S136 L167 K168 T253 | F134-N171 WeakPolarHBondContact O-CB 3.4Å; F134-N171 PolarHBondContact O-ND2 2.79Å; V135-N171 WeakPolarHBondContact CA-O 3.32Å; S136-N171 PolarHBondContact N-O 2.89Å; S136-N171 VanDerWaalsContact N-O 3.11Å; L167-N171 VanDerWaalsContact O-CB 3.3Å; L167-N171 WeakPolarHBondContact O-CB 3.43Å; L167-N171 PolarHBondContact O-N 3.41Å; K168-N171 CarbonylContact O-C 3.56Å; K168-N171 PolarHBondContact O-N 2.98Å; N171-T253 WeakPolarHBondContact ND2-CG2 3.36Å; N171-T253 WeakPolarHBondContact OD1-CG2 3.24Å |
| 172 | T | 86.9 | Confident | 80.5 | Confident | 14 Ų | 14 | 85.4 Ų | 85.4 | 9% | 0.086 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.8 | 169.9 | -60.9 | 0 | 0 | 0 | 0 | 109.8 | S136 D138 K168 R174 N190 | S136-T172 CarbonylContact O-C 3.47Å; S136-T172 VanDerWaalsContact O-CA 3.3Å; S136-T172 WeakPolarHBondContact O-CA 3.24Å; S136-T172 PolarHBondContact OG-OG1 3.36Å; D138-T172 HydrophobicContact CB-CG2 4.1Å; K168-T172 WeakPolarHBondContact O-CB 3.3Å; K168-T172 PolarHBondContact O-N 2.92Å; K168-T172 VanDerWaalsContact O-N 3.09Å; K168-T172 PolarHBondContact O-OG1 3.36Å; T172-R174 HydrophobicContact CG2-CG 3.66Å; T172-N190 PolarHBondContact O-ND2 2.71Å |
| 173 | I | 91 | Very high | 81.4 | Confident | 13 Ų | 13 | 78.9 Ų | 78.9 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 126.2 | 167.9 | -58.6 | 176.8 | 0 | 0 | 0 | 108.1 | V135 S136 I137 D138 N190 A191 L203 I205 | V135-I173 HydrophobicContact CG1-CD1 4.12Å; V135-I173 HydrophobicContact CG1-CG1 4.25Å; S136-I173 PolarHBondContact O-N 3.32Å; I137-I173 WeakPolarHBondContact CA-O 3.24Å; I137-I173 HydrophobicContact CB-CB 4.41Å; I137-I173 HydrophobicContact CD1-CD1 4.28Å; I137-I173 HydrophobicContact CG1-CB 4.01Å; I137-I173 HydrophobicContact CG1-CD1 4.01Å; I137-I173 HydrophobicContact CG1-CG1 4.35Å; I137-I173 HydrophobicContact CG2-CB 4.22Å; I137-I173 HydrophobicContact CG2-CG2 4.33Å; D138-I173 PolarHBondContact N-O 2.87Å; I173-N190 WeakPolarHBondContact CA-OD1 3.21Å; I173-A191 HydrophobicContact CB-CB 4.31Å; I173-A191 HydrophobicContact CD1-CB 4.3Å; I173-A191 HydrophobicContact CG1-CB 3.91Å; I173-A191 HydrophobicContact CG2-CB 3.78Å; I173-L203 HydrophobicContact CD1-CD2 4.15Å; I173-I205 HydrophobicContact CD1-CD1 4.2Å; I173-I205 HydrophobicContact CG1-CD1 3.8Å; I173-I205 HydrophobicContact CG1-CG1 4.17Å |
| 174 | R | 90.8 | Very high | 82.4 | Confident | 41 Ų | 41 | 80.6 Ų | 80.6 | 16% | 0.155 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.2 | -177.5 | -53.8 | -171.2 | -168.5 | 158.8 | 0.7 | 109.7 | D138 H142 F147 T172 N190 | D138-R174 HydrophobicContact CB-CG 4.07Å; H142-R174 HydrophobicContact CB-CB 4.12Å; H142-R174 VanDerWaalsContact CD2-CD 3.42Å; H142-R174 WeakPolarHBondContact CD2-CD 3.35Å; H142-R174 PolarHBondContact NE2-NH1 2.87Å; F147-R174 VanDerWaalsContact CE2-NH1 3.34Å; F147-R174 VanDerWaalsContact CZ-NH1 3.34Å; T172-R174 HydrophobicContact CG2-CG 3.66Å; R174-N190 PolarHBondContact N-OD1 2.81Å; R174-N190 PolarHBondContact O-N 3.31Å; R174-N190 PolarHBondContact O-OD1 2.82Å |
| 175 | W | 91.9 | Very high | 83.5 | Confident | 85 Ų | 85 | 78.6 Ų | 78.6 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.7 | 176.7 | 70.5 | -75.5 | 0 | 0 | 0 | 109.6 | P139 Q140 P141 H142 K177 P187 K188 | P139-W175 PolarHBondContact O-NE1 3.37Å; Q140-W175 PolarHBondContact O-NE1 3.04Å; P141-W175 CarbonylContact C-O 3.58Å; P141-W175 WeakPolarHBondContact CA-O 3.43Å; P141-W175 HydrophobicContact CB-CD2 4.48Å; P141-W175 HydrophobicContact CB-CH2 4.05Å; P141-W175 HydrophobicContact CB-CZ2 3.96Å; P141-W175 HydrophobicContact CB-CZ3 4.31Å; P141-W175 HydrophobicContact CG-CH2 3.71Å; P141-W175 HydrophobicContact CG-CZ2 3.53Å; P141-W175 HydrophobicContact CG-CZ3 4.44Å; H142-W175 WeakPolarHBondContact CB-O 3.4Å; H142-W175 PolarHBondContact N-O 3.49Å; W175-K177 HydrophobicContact CZ3-CD 4.47Å; W175-K177 HydrophobicContact CZ3-CG 3.86Å; W175-P187 HydrophobicContact CE3-CB 4.09Å; W175-P187 HydrophobicContact CZ3-CB 4.3Å; W175-K188 CarbonylContact C-O 3.6Å; W175-K188 WeakPolarHBondContact CA-O 3.36Å |
| 176 | R | 91.8 | Very high | 84.7 | Confident | 106 Ų | 106 | 79.9 Ų | 79.9 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152 | 176.3 | 68.3 | -178.7 | -178.5 | 101.1 | -4.5 | 110.6 | H142 T178 K188 | H142-R176 HydrophobicContact CB-CB 4.41Å; H142-R176 WeakPolarHBondContact O-CB 3.42Å; R176-T178 VanDerWaalsContact CZ-OG1 3.31Å; R176-T178 PolarHBondContact NH1-OG1 2.96Å; R176-K188 HydrophobicContact CG-CB 4.35Å; R176-K188 PolarHBondContact N-O 2.89Å; R176-K188 PolarHBondContact O-N 3.25Å |
| 177 | K | 89.8 | Confident | 85.8 | Confident | 131 Ų | 131 | 78.8 Ų | 78.8 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123.3 | 171 | -67.8 | 179.2 | -176.1 | 177.8 | 0 | 108.3 | W175 V185 | W175-K177 HydrophobicContact CZ3-CD 4.47Å; W175-K177 HydrophobicContact CZ3-CG 3.86Å; K177-V185 HydrophobicContact CB-CG1 3.71Å; K177-V185 HydrophobicContact CD-CG1 4.19Å; K177-V185 HydrophobicContact CG-CG1 4.09Å |
| 178 | T | 88.6 | Confident | 86.7 | Confident | 38 Ų | 38 | 83.8 Ų | 83.8 | 23% | 0.233 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 108.7 | R176 V186 | R176-T178 VanDerWaalsContact CZ-OG1 3.31Å; R176-T178 PolarHBondContact NH1-OG1 2.96Å; T178-V186 PolarHBondContact N-O 3.1Å; T178-V186 PolarHBondContact O-N 2.81Å; T178-V186 VanDerWaalsContact O-O 3.12Å |
| 179 | T | 90.9 | Very high | 87.7 | Confident | 94 Ų | 94 | 81.9 Ų | 81.9 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.3 | 174.3 | -49 | 0 | 0 | 0 | 0 | 109.1 | N184 | T179-N184 WeakPolarHBondContact CA-O 3.48Å |
| 180 | D | 89.6 | Confident | 88.7 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 42% | 0.417 | 42% | 0.421 | S | S | . | . | trans | -73.8 | 166.8 | 175.3 | -169.6 | 24.7 | 0 | 0 | 0 | 111.3 | K182 G183 N184 V186 | D180-K182 PolarHBondContact O-N 3.12Å; D180-G183 PolarHBondContact O-N 3.38Å; D180-N184 PolarHBondContact N-O 2.89Å; D180-V186 HydrophobicContact CB-CG2 4.21Å | ||
| 181 | E | 89.4 | Confident | 89.3 | Confident | 196 Ų | 196 | 78 Ų | 78 | 92% | 0.916 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -21.9 | -179.8 | -63.7 | -176.6 | 170.3 | 0 | 0 | 113.1 | G183 | E181-G183 VanDerWaalsContact C-N 3.34Š|
| 182 | K | 84.6 | Confident | 89.6 | Confident | 172 Ų | 172 | 84.8 Ų | 84.8 | 75% | 0.748 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.7 | 177 | -62.7 | 176.8 | -177.2 | 171.5 | 0 | 114 | D180 N184 | D180-K182 PolarHBondContact O-N 3.12Å; K182-N184 VanDerWaalsContact C-N 3.29Å; K182-N184 PolarHBondContact O-N 3.3Å |
| 183 | G | 85.7 | Confident | 89.8 | Confident | 53 Ų | 53 | 87.2 Ų | 87.2 | 55% | 0.546 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 78.9 | 5.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D180 E181 | D180-G183 PolarHBondContact O-N 3.38Å; E181-G183 VanDerWaalsContact C-N 3.34Å |
| 184 | N | 87.8 | Confident | 89.9 | Confident | 102 Ų | 102 | 89 Ų | 89 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | trans | -84.9 | 135.2 | 178.4 | -66.1 | -30.8 | 0 | 0 | 0 | 110.7 | T179 D180 K182 V186 | T179-N184 WeakPolarHBondContact CA-O 3.48Å; D180-N184 PolarHBondContact N-O 2.89Å; K182-N184 VanDerWaalsContact C-N 3.29Å; K182-N184 PolarHBondContact O-N 3.3Å; N184-V186 PolarHBondContact O-N 3.21Å | ||
| 185 | V | 87.3 | Confident | 90 | Very high | 90 Ų | 90 | 93 Ų | 93 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 105.8 | 176 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | K177 | K177-V185 HydrophobicContact CB-CG1 3.71Å; K177-V185 HydrophobicContact CD-CG1 4.19Å; K177-V185 HydrophobicContact CG-CG1 4.09Å |
| 186 | V | 89.5 | Confident | 90.1 | Very high | 72 Ų | 72 | 93.8 Ų | 93.8 | 44% | 0.436 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | T178 D180 N184 K188 | T178-V186 PolarHBondContact N-O 3.1Å; T178-V186 PolarHBondContact O-N 2.81Å; T178-V186 VanDerWaalsContact O-O 3.12Å; D180-V186 HydrophobicContact CB-CG2 4.21Å; N184-V186 PolarHBondContact O-N 3.21Å; V186-K188 PolarHBondContact O-N 3.43Å |
| 187 | P | 88.8 | Confident | 90.1 | Very high | 90 Ų | 90 | 95 Ų | 95 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126 | 171.9 | 29.1 | -32.4 | 0 | 0 | 0 | 109.9 | W175 | W175-P187 HydrophobicContact CE3-CB 4.09Å; W175-P187 HydrophobicContact CZ3-CB 4.3Å |
| 188 | K | 91.2 | Very high | 90.2 | Very high | 121 Ų | 121 | 94 Ų | 94 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.5 | 177.6 | -173.5 | 169.5 | -176.7 | 167.7 | 0 | 109.9 | W175 R176 V186 | W175-K188 CarbonylContact C-O 3.6Å; W175-K188 WeakPolarHBondContact CA-O 3.36Å; R176-K188 HydrophobicContact CG-CB 4.35Å; R176-K188 PolarHBondContact N-O 2.89Å; R176-K188 PolarHBondContact O-N 3.25Å; V186-K188 PolarHBondContact O-N 3.43Å |
| 189 | S | 91.3 | Very high | 90.2 | Very high | 56 Ų | 56 | 97 Ų | 97 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 148.2 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | A191 | S189-A191 VanDerWaalsContact C-N 3.27Å; S189-A191 WeakPolarHBondContact CB-O 3.34Å; S189-A191 PolarHBondContact OG-N 2.71Å; S189-A191 VanDerWaalsContact OG-N 3.07Å; S189-A191 PolarHBondContact OG-O 3.05Å |
| 190 | N | 91.4 | Very high | 90.2 | Very high | 67 Ų | 67 | 94.4 Ų | 94.4 | 36% | 0.358 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -78.6 | -13.8 | 168 | 73.1 | -19.6 | 0 | 0 | 0 | 113 | T172 I173 R174 G206 | T172-N190 PolarHBondContact O-ND2 2.71Å; I173-N190 WeakPolarHBondContact CA-OD1 3.21Å; R174-N190 PolarHBondContact N-OD1 2.81Å; R174-N190 PolarHBondContact O-N 3.31Å; R174-N190 PolarHBondContact O-OD1 2.82Å; N190-G206 PolarHBondContact O-N 3.36Å; N190-G206 VanDerWaalsContact O-N 3.15Å |
| 191 | A | 92.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 91.5 Ų | 91.5 | 12% | 0.116 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 143 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I173 S189 L203 F204 I205 | I173-A191 HydrophobicContact CB-CB 4.31Å; I173-A191 HydrophobicContact CD1-CB 4.3Å; I173-A191 HydrophobicContact CG1-CB 3.91Å; I173-A191 HydrophobicContact CG2-CB 3.78Å; S189-A191 VanDerWaalsContact C-N 3.27Å; S189-A191 WeakPolarHBondContact CB-O 3.34Å; S189-A191 PolarHBondContact OG-N 2.71Å; S189-A191 VanDerWaalsContact OG-N 3.07Å; S189-A191 PolarHBondContact OG-O 3.05Å; A191-L203 HydrophobicContact CB-CD1 4.26Å; A191-F204 CarbonylContact C-O 3.5Å; A191-F204 WeakPolarHBondContact CA-O 3.43Å; A191-F204 WeakPolarHBondContact CB-O 3.42Å; A191-I205 HydrophobicContact CB-CG1 4.25Å |
| 192 | K | 91.4 | Very high | 90.5 | Very high | 147 Ų | 147 | 82.6 Ų | 82.6 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.2 | 177.4 | -64.9 | -173.4 | 177.5 | -169.7 | 0 | 109.9 | F204 | K192-F204 PolarHBondContact N-O 2.54Å; K192-F204 PolarHBondContact O-N 3.14Å |
| 193 | L | 91.5 | Very high | 90.8 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 35% | 0.346 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.4 | 170.5 | -174.3 | 67.6 | 0 | 0 | 0 | 108.3 | F201 L203 V212 L242 | L193-F201 HydrophobicContact CD1-CB 4.35Å; L193-F201 HydrophobicContact CD1-CD1 4.33Å; L193-F201 HydrophobicContact CD2-CD1 4.21Å; L193-F201 HydrophobicContact CG-CD1 4.1Å; L193-L203 HydrophobicContact CD1-CB 4.17Å; L193-V212 HydrophobicContact CD1-CG2 3.96Å; L193-L242 HydrophobicContact CD2-CD1 4.41Å |
| 194 | V | 92.3 | Very high | 91.1 | Very high | 51 Ų | 51 | 75.1 Ų | 75.1 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126 | -178.8 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | Y196 F201 V202 F204 | V194-Y196 HydrophobicContact CG1-CD2 4.47Å; V194-Y196 HydrophobicContact CG1-CE2 4.17Å; V194-F201 WeakPolarHBondContact O-CA 3.28Å; V194-V202 PolarHBondContact N-O 2.98Å; V194-V202 PolarHBondContact O-N 3.49Å; V194-F204 HydrophobicContact CB-CD2 4.37Å; V194-F204 HydrophobicContact CB-CE2 4.09Å; V194-F204 HydrophobicContact CG2-CD2 3.76Å; V194-F204 HydrophobicContact CG2-CE2 3.8Å |
| 195 | R | 93.1 | Very high | 91.2 | Very high | 123 Ų | 123 | 70.5 Ų | 70.5 | 46% | 0.464 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.8 | 170.2 | -175.9 | 178.9 | 178.8 | 153.1 | -3.2 | 108.6 | E125 N199 F201 | E125-R195 IonicContact OE2-NH1 3.54Å; R195-N199 PolarHBondContact NE-OD1 2.85Å; R195-N199 PolarHBondContact NH2-OD1 3.38Å; R195-F201 HydrophobicContact CB-CD1 3.93Å; R195-F201 HydrophobicContact CB-CE1 3.66Å; R195-F201 HydrophobicContact CB-CZ 4.29Å; R195-F201 HydrophobicContact CG-CD1 4.27Å; R195-F201 HydrophobicContact CG-CE1 3.8Å; R195-F201 HydrophobicContact CG-CE2 4.43Å; R195-F201 HydrophobicContact CG-CZ 3.9Å |
| 196 | Y | 93.1 | Very high | 91.2 | Very high | 103 Ų | 103 | 69.1 Ų | 69.1 | 40% | 0.404 | 38% | 0.38 | S | S | . | . | trans | -83.2 | 164.2 | 174.7 | -70.1 | -87.8 | 0 | 0 | 0 | 111.2 | V194 D198 N199 S200 V202 | V194-Y196 HydrophobicContact CG1-CD2 4.47Å; V194-Y196 HydrophobicContact CG1-CE2 4.17Å; Y196-D198 WeakPolarHBondContact CB-OD1 3.28Å; Y196-D198 PolarHBondContact O-N 3.24Å; Y196-D198 VanDerWaalsContact O-N 3.11Å; Y196-N199 PolarHBondContact O-N 3.26Å; Y196-S200 PolarHBondContact N-O 2.97Å; Y196-V202 HydrophobicContact CD2-CG2 4.11Å; Y196-V202 HydrophobicContact CE2-CB 3.74Å; Y196-V202 HydrophobicContact CE2-CG2 3.45Å; Y196-V202 VanDerWaalsContact CE2-CG2 3.45Å | ||
| 197 | S | 92.9 | Very high | 91 | Very high | 132 Ų | 132 | 70.4 Ų | 70.4 | 92% | 0.923 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.6 | -179 | 54.3 | 0 | 0 | 0 | 0 | 114 | N199 | S197-N199 VanDerWaalsContact C-N 3.28Š|
| 198 | D | 92.2 | Very high | 90.9 | Very high | 110 Ų | 110 | 67.7 Ų | 67.7 | 59% | 0.588 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.7 | 175.6 | 66.5 | -11.6 | 0 | 0 | 0 | 113.4 | Y196 S200 | Y196-D198 WeakPolarHBondContact CB-OD1 3.28Å; Y196-D198 PolarHBondContact O-N 3.24Å; Y196-D198 VanDerWaalsContact O-N 3.11Å; D198-S200 VanDerWaalsContact CG-OG 3.28Å; D198-S200 PolarHBondContact O-N 3.11Å; D198-S200 VanDerWaalsContact OD1-CB 3.23Å; D198-S200 WeakPolarHBondContact OD1-CB 3.3Å; D198-S200 PolarHBondContact OD1-N 3.07Å; D198-S200 PolarHBondContact OD1-OG 3.33Å; D198-S200 PolarHBondContact OD2-OG 3.36Å |
| 199 | N | 87.2 | Confident | 90.9 | Very high | 100 Ų | 100 | 63.6 Ų | 63.6 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 63.6 | 14 | -171.4 | -58.7 | -45.9 | 0 | 0 | 0 | 114.8 | R195 Y196 S197 | R195-N199 PolarHBondContact NE-OD1 2.85Å; R195-N199 PolarHBondContact NH2-OD1 3.38Å; Y196-N199 PolarHBondContact O-N 3.26Å; S197-N199 VanDerWaalsContact C-N 3.28Å |
| 200 | S | 91.1 | Very high | 90.8 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | trans | -74.7 | 150.2 | 165.7 | 72.4 | 0 | 0 | 0 | 0 | 110.3 | Y196 D198 | Y196-S200 PolarHBondContact N-O 2.97Å; D198-S200 VanDerWaalsContact CG-OG 3.28Å; D198-S200 PolarHBondContact O-N 3.11Å; D198-S200 VanDerWaalsContact OD1-CB 3.23Å; D198-S200 WeakPolarHBondContact OD1-CB 3.3Å; D198-S200 PolarHBondContact OD1-N 3.07Å; D198-S200 PolarHBondContact OD1-OG 3.33Å; D198-S200 PolarHBondContact OD2-OG 3.36Å | ||
| 201 | F | 92.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.075 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.4 | 178.5 | -74.3 | -89.5 | 0 | 0 | 0 | 109.2 | L193 V194 R195 V212 V214 | L193-F201 HydrophobicContact CD1-CB 4.35Å; L193-F201 HydrophobicContact CD1-CD1 4.33Å; L193-F201 HydrophobicContact CD2-CD1 4.21Å; L193-F201 HydrophobicContact CG-CD1 4.1Å; V194-F201 WeakPolarHBondContact O-CA 3.28Å; R195-F201 HydrophobicContact CB-CD1 3.93Å; R195-F201 HydrophobicContact CB-CE1 3.66Å; R195-F201 HydrophobicContact CB-CZ 4.29Å; R195-F201 HydrophobicContact CG-CD1 4.27Å; R195-F201 HydrophobicContact CG-CE1 3.8Å; R195-F201 HydrophobicContact CG-CE2 4.43Å; R195-F201 HydrophobicContact CG-CZ 3.9Å; F201-V212 HydrophobicContact CB-CB 3.7Å; F201-V212 HydrophobicContact CB-CG1 4.23Å; F201-V212 HydrophobicContact CB-CG2 4.27Å; F201-V212 WeakPolarHBondContact O-CB 3.19Å; F201-V212 PolarHBondContact O-N 2.88Å; F201-V214 HydrophobicContact CD2-CG2 3.53Å; F201-V214 HydrophobicContact CE2-CG2 3.78Å |
| 202 | V | 92.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.7 | 170.9 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | V194 Y196 F204 P209 F210 | V194-V202 PolarHBondContact N-O 2.98Å; V194-V202 PolarHBondContact O-N 3.49Å; Y196-V202 HydrophobicContact CD2-CG2 4.11Å; Y196-V202 HydrophobicContact CE2-CB 3.74Å; Y196-V202 HydrophobicContact CE2-CG2 3.45Å; Y196-V202 VanDerWaalsContact CE2-CG2 3.45Å; V202-F204 HydrophobicContact CB-CE2 4.07Å; V202-F204 HydrophobicContact CG1-CD2 4.04Å; V202-F204 HydrophobicContact CG1-CE1 4.38Å; V202-F204 HydrophobicContact CG1-CE2 3.6Å; V202-F204 HydrophobicContact CG1-CZ 3.8Å; V202-P209 HydrophobicContact CG1-CB 4.03Å; V202-F210 CarbonylContact C-O 3.57Å; V202-F210 VanDerWaalsContact CA-O 3.31Å; V202-F210 WeakPolarHBondContact CA-O 3.47Å; V202-F210 WeakPolarHBondContact CG1-O 3.49Å |
| 203 | L | 91.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.8 | 173.1 | 173.7 | 69.2 | 0 | 0 | 0 | 108.1 | I173 A191 L193 I205 P209 F210 V212 F244 | I173-L203 HydrophobicContact CD1-CD2 4.15Å; A191-L203 HydrophobicContact CB-CD1 4.26Å; L193-L203 HydrophobicContact CD1-CB 4.17Å; L203-I205 HydrophobicContact CD2-CD1 3.98Å; L203-I205 HydrophobicContact CD2-CG1 4.04Å; L203-I205 HydrophobicContact CG-CD1 4.48Å; L203-I205 HydrophobicContact CG-CG1 3.98Å; L203-P209 CarbonylContact O-C 3.6Å; L203-F210 HydrophobicContact CB-CB 4.29Å; L203-F210 PolarHBondContact N-O 3.01Å; L203-F210 PolarHBondContact O-N 3.44Å; L203-V212 HydrophobicContact CB-CG2 3.7Å; L203-F244 HydrophobicContact CB-CD1 4.47Å; L203-F244 HydrophobicContact CB-CE1 4.22Å; L203-F244 HydrophobicContact CD2-CD1 4.05Å; L203-F244 HydrophobicContact CD2-CD2 4.46Å; L203-F244 HydrophobicContact CD2-CE1 3.71Å; L203-F244 HydrophobicContact CD2-CE2 4.13Å; L203-F244 HydrophobicContact CD2-CG 4.41Å; L203-F244 HydrophobicContact CD2-CZ 3.75Å |
| 204 | F | 91.8 | Very high | 90.9 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.4 | 169.9 | -68.1 | -89.3 | 0 | 0 | 0 | 108.7 | A191 K192 V194 V202 P209 | A191-F204 CarbonylContact C-O 3.5Å; A191-F204 WeakPolarHBondContact CA-O 3.43Å; A191-F204 WeakPolarHBondContact CB-O 3.42Å; K192-F204 PolarHBondContact N-O 2.54Å; K192-F204 PolarHBondContact O-N 3.14Å; V194-F204 HydrophobicContact CB-CD2 4.37Å; V194-F204 HydrophobicContact CB-CE2 4.09Å; V194-F204 HydrophobicContact CG2-CD2 3.76Å; V194-F204 HydrophobicContact CG2-CE2 3.8Å; V202-F204 HydrophobicContact CB-CE2 4.07Å; V202-F204 HydrophobicContact CG1-CD2 4.04Å; V202-F204 HydrophobicContact CG1-CE1 4.38Å; V202-F204 HydrophobicContact CG1-CE2 3.6Å; V202-F204 HydrophobicContact CG1-CZ 3.8Å; F204-P209 HydrophobicContact CD1-CB 3.99Å; F204-P209 HydrophobicContact CE1-CB 3.74Å; F204-P209 HydrophobicContact CZ-CB 4.44Å |
| 205 | I | 90.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 106.4 | 169.1 | -52.2 | -179.9 | 0 | 0 | 0 | 106.8 | V135 I173 A191 L203 A207 E208 F210 | V135-I205 HydrophobicContact CG1-CD1 3.74Å; V135-I205 HydrophobicContact CG2-CD1 4.23Å; I173-I205 HydrophobicContact CD1-CD1 4.2Å; I173-I205 HydrophobicContact CG1-CD1 3.8Å; I173-I205 HydrophobicContact CG1-CG1 4.17Å; A191-I205 HydrophobicContact CB-CG1 4.25Å; L203-I205 HydrophobicContact CD2-CD1 3.98Å; L203-I205 HydrophobicContact CD2-CG1 4.04Å; L203-I205 HydrophobicContact CG-CD1 4.48Å; L203-I205 HydrophobicContact CG-CG1 3.98Å; I205-A207 PolarHBondContact O-N 3.21Å; I205-E208 PolarHBondContact N-O 3.48Å; I205-E208 PolarHBondContact O-N 2.88Å; I205-F210 HydrophobicContact CB-CE2 4.03Å; I205-F210 HydrophobicContact CD1-CD2 4.07Å; I205-F210 HydrophobicContact CD1-CE2 3.59Å; I205-F210 HydrophobicContact CD1-CZ 4.32Å; I205-F210 HydrophobicContact CG1-CD2 4.05Å; I205-F210 HydrophobicContact CG1-CE2 3.78Å |
| 206 | G | 86.4 | Confident | 90.6 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 63% | 0.629 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -112.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N190 | N190-G206 PolarHBondContact O-N 3.36Å; N190-G206 VanDerWaalsContact O-N 3.15Å |
| 207 | A | 85.8 | Confident | 90.2 | Very high | 99 Ų | 99 | 55.1 Ų | 55.1 | 82% | 0.818 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -6.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I205 P209 | I205-A207 PolarHBondContact O-N 3.21Å; A207-P209 WeakPolarHBondContact O-CD 3.21Å |
| 208 | E | 86.5 | Confident | 89.6 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.3 | -172.6 | -168 | 80 | 163.4 | 0 | 0 | 111.8 | I205 F210 S251 F252 T253 | I205-E208 PolarHBondContact N-O 3.48Å; I205-E208 PolarHBondContact O-N 2.88Å; E208-F210 HydrophobicContact CB-CE2 4.12Å; E208-F210 HydrophobicContact CB-CZ 4.47Å; E208-F210 HydrophobicContact CG-CE1 4.5Å; E208-F210 HydrophobicContact CG-CE2 3.91Å; E208-F210 HydrophobicContact CG-CZ 3.88Å; E208-S251 WeakPolarHBondContact OE1-CB 3.32Å; E208-S251 PolarHBondContact OE1-OG 3.05Å; E208-F252 PolarHBondContact OE1-N 3.29Å; E208-T253 HydrophobicContact CG-CG2 3.8Å; E208-T253 WeakPolarHBondContact OE1-CG2 3.47Å; E208-T253 PolarHBondContact OE1-N 3.09Å; E208-T253 VanDerWaalsContact OE1-N 3.11Å |
| 209 | P | 90.2 | Very high | 88.8 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 23% | 0.227 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 136.9 | 173.3 | 31 | -31.9 | 0 | 0 | 0 | 112.9 | V202 L203 F204 A207 I247 | V202-P209 HydrophobicContact CG1-CB 4.03Å; L203-P209 CarbonylContact O-C 3.6Å; F204-P209 HydrophobicContact CD1-CB 3.99Å; F204-P209 HydrophobicContact CE1-CB 3.74Å; F204-P209 HydrophobicContact CZ-CB 4.44Å; A207-P209 WeakPolarHBondContact O-CD 3.21Å; P209-I247 HydrophobicContact CB-CG2 4.34Å; P209-I247 HydrophobicContact CG-CG2 3.91Å; P209-I247 WeakPolarHBondContact O-CG2 3.49Å |
| 210 | F | 90.3 | Very high | 88 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.9 | 172.9 | -60.6 | -89.3 | 0 | 0 | 0 | 110.8 | F134 V135 V202 L203 I205 E208 T253 | F134-F210 HydrophobicContact CD2-CD1 4.4Å; F134-F210 AromaticContact CD2-CE1 3.8Å; F134-F210 HydrophobicContact CD2-CE1 3.8Å; F134-F210 AromaticContact CE2-CD1 3.87Å; F134-F210 HydrophobicContact CE2-CD1 3.87Å; F134-F210 AromaticContact CE2-CE1 3.75Å; F134-F210 HydrophobicContact CE2-CE1 3.75Å; V135-F210 HydrophobicContact CG2-CE1 4.4Å; V135-F210 HydrophobicContact CG2-CZ 4.37Å; V202-F210 CarbonylContact C-O 3.57Å; V202-F210 VanDerWaalsContact CA-O 3.31Å; V202-F210 WeakPolarHBondContact CA-O 3.47Å; V202-F210 WeakPolarHBondContact CG1-O 3.49Å; L203-F210 HydrophobicContact CB-CB 4.29Å; L203-F210 PolarHBondContact N-O 3.01Å; L203-F210 PolarHBondContact O-N 3.44Å; I205-F210 HydrophobicContact CB-CE2 4.03Å; I205-F210 HydrophobicContact CD1-CD2 4.07Å; I205-F210 HydrophobicContact CD1-CE2 3.59Å; I205-F210 HydrophobicContact CD1-CZ 4.32Å; I205-F210 HydrophobicContact CG1-CD2 4.05Å; I205-F210 HydrophobicContact CG1-CE2 3.78Å; E208-F210 HydrophobicContact CB-CE2 4.12Å; E208-F210 HydrophobicContact CB-CZ 4.47Å; E208-F210 HydrophobicContact CG-CE1 4.5Å; E208-F210 HydrophobicContact CG-CE2 3.91Å; E208-F210 HydrophobicContact CG-CZ 3.88Å; F210-T253 HydrophobicContact CE1-CG2 3.91Å; F210-T253 HydrophobicContact CZ-CG2 3.74Å |
| 211 | D | 92.2 | Very high | 87.2 | Confident | 44 Ų | 44 | 57.1 Ų | 57.1 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130.9 | 170.6 | 178.6 | 37.2 | 0 | 0 | 0 | 109.5 | R213 R245 I247 | D211-R213 IonicContact OD2-NE 3.84Å; D211-R245 PolarHBondContact N-O 2.94Å; D211-R245 PolarHBondContact O-N 2.94Å; D211-I247 HydrophobicContact CB-CB 4.41Å; D211-I247 HydrophobicContact CB-CG1 4.41Å |
| 212 | V | 93.5 | Very high | 86.8 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.5 | -178.8 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | L193 F201 L203 L242 F244 | L193-V212 HydrophobicContact CD1-CG2 3.96Å; F201-V212 HydrophobicContact CB-CB 3.7Å; F201-V212 HydrophobicContact CB-CG1 4.23Å; F201-V212 HydrophobicContact CB-CG2 4.27Å; F201-V212 WeakPolarHBondContact O-CB 3.19Å; F201-V212 PolarHBondContact O-N 2.88Å; L203-V212 HydrophobicContact CB-CG2 3.7Å; V212-L242 HydrophobicContact CG1-CB 3.82Å; V212-L242 HydrophobicContact CG1-CD1 4.25Å; V212-L242 HydrophobicContact CG1-CD2 3.86Å; V212-L242 HydrophobicContact CG1-CG 4.18Å; V212-F244 HydrophobicContact CB-CD1 4.17Å; V212-F244 HydrophobicContact CB-CE1 4.32Å; V212-F244 HydrophobicContact CG1-CD1 3.8Å; V212-F244 HydrophobicContact CG1-CE1 3.68Å; V212-F244 HydrophobicContact CG2-CD1 3.67Å; V212-F244 HydrophobicContact CG2-CE1 3.76Å |
| 213 | R | 91.5 | Very high | 86.4 | Confident | 133 Ų | 133 | 64.7 Ų | 64.7 | 50% | 0.502 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.9 | 174.8 | -64.7 | -171.8 | 176 | -149.6 | -4.7 | 110.6 | D211 L242 A243 | D211-R213 IonicContact OD2-NE 3.84Å; R213-L242 WeakPolarHBondContact O-CA 3.41Å; R213-A243 PolarHBondContact N-O 3.21Å; R213-A243 PolarHBondContact O-N 2.81Å |
| 214 | V | 91.3 | Very high | 86.1 | Confident | 55 Ų | 55 | 66 Ų | 66 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 116 | 172.9 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | Y127 F201 K240 L242 | Y127-V214 HydrophobicContact CE1-CG1 4.35Å; F201-V214 HydrophobicContact CD2-CG2 3.53Å; F201-V214 HydrophobicContact CE2-CG2 3.78Å; V214-K240 HydrophobicContact CG1-CB 4.05Å; V214-K240 HydrophobicContact CG1-CD 3.98Å; V214-K240 HydrophobicContact CG1-CG 4.25Å; V214-L242 HydrophobicContact CB-CD2 4.29Å; V214-L242 HydrophobicContact CG1-CD2 4.32Å; V214-L242 HydrophobicContact CG2-CD2 3.71Å |
| 215 | L | 90.4 | Very high | 85.8 | Confident | 84 Ų | 84 | 67.8 Ų | 67.8 | 44% | 0.44 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.5 | 177.2 | -65.2 | 167.5 | 0 | 0 | 0 | 108.8 | K241 A243 | L215-K241 HydrophobicContact CB-CB 4.4Å; L215-K241 PolarHBondContact N-O 3.46Å; L215-K241 PolarHBondContact O-N 3.15Å; L215-A243 HydrophobicContact CD1-CB 3.98Å |
| 216 | P | 89 | Confident | 85.4 | Confident | 100 Ų | 100 | 69.9 Ų | 69.9 | 65% | 0.649 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 134.1 | 172.8 | 28.4 | -32.8 | 0 | 0 | 0 | 109.7 | V218 | P216-V218 PolarHBondContact O-N 3.32Å |
| 217 | M | 83.9 | Confident | 85.3 | Confident | 28 Ų | 28 | 76.6 Ų | 76.6 | 14% | 0.138 | 40% | 0.402 | C | S | . | . | trans | -87.7 | 100.3 | 175.3 | -63.7 | -166 | 63.2 | 0 | 0 | 109.1 | F128 D220 R222 D239 K241 | F128-M217 HydrophobicContact CB-SD 4.02Å; F128-M217 HydrophobicContact CD1-SD 4.17Å; F128-M217 HydrophobicContact CG-SD 4.37Å; M217-D220 HydrophobicContact CE-CB 3.88Å; M217-R222 HydrophobicContact CE-CB 4.28Å; M217-R222 HydrophobicContact CE-CG 3.75Å; M217-D239 PolarHBondContact N-O 2.87Å; M217-K241 HydrophobicContact CG-CB 3.72Å; M217-K241 HydrophobicContact SD-CB 3.85Å | ||
| 218 | V | 79.9 | Confident | 84.9 | Confident | 133 Ų | 133 | 75.2 Ų | 75.2 | 81% | 0.806 | 38% | 0.379 | S | S | * | . | trans | -105.5 | 123.4 | 175 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | P216 | P216-V218 PolarHBondContact O-N 3.32Š| ||
| 219 | G | 75.4 | Confident | 84.3 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 95.3 | -27.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 220 | D | 71.5 | Confident | 83.8 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 51% | 0.508 | 44% | 0.435 | S | S | . | . | trans | -107.3 | 94.3 | 179.9 | -69.8 | -2.9 | 0 | 0 | 0 | 110.5 | M217 R222 | M217-D220 HydrophobicContact CE-CB 3.88Å; D220-R222 VanDerWaalsContact C-N 3.29Å; D220-R222 PolarHBondContact O-N 3.12Å | ||
| 221 | F | 73.9 | Confident | 83.2 | Confident | 137 Ų | 137 | 84.6 Ų | 84.6 | 60% | 0.601 | 45% | 0.449 | S | S | * | . | trans | -80.6 | 77.2 | 173.3 | -58.7 | -58.9 | 0 | 0 | 0 | 110.5 | Q223 | F221-Q223 PolarHBondContact O-N 2.92Š| ||
| 222 | R | 83.4 | Confident | 82.8 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 35% | 0.351 | 47% | 0.47 | S | S | . | . | trans | -69.3 | 127.6 | 173 | -66.5 | -168.5 | -175.2 | -123.5 | -7.3 | 109.6 | E25 M217 D220 F238 | E25-R222 IonicContact OE1-NH1 3.33Å; E25-R222 PolarHBondContact OE1-NH1 3.31Å; E25-R222 IonicContact OE2-NH1 3.95Å; M217-R222 HydrophobicContact CE-CB 4.28Å; M217-R222 HydrophobicContact CE-CG 3.75Å; D220-R222 VanDerWaalsContact C-N 3.29Å; D220-R222 PolarHBondContact O-N 3.12Å; R222-F238 HydrophobicContact CB-CD2 4.28Å; R222-F238 PolarHBondContact O-N 2.91Å | ||
| 223 | Q | 85.1 | Confident | 82.2 | Confident | 92 Ų | 92 | 90.6 Ų | 90.6 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.1 | 176.4 | -64.1 | 172.7 | 21.7 | 0 | 0 | 108.1 | F221 F225 T236 K237 | F221-Q223 PolarHBondContact O-N 2.92Å; Q223-F225 HydrophobicContact CB-CD2 4.2Å; Q223-F225 HydrophobicContact CB-CE2 3.55Å; Q223-F225 HydrophobicContact CB-CZ 3.99Å; Q223-F225 WeakPolarHBondContact O-CD2 3.42Å; Q223-T236 CarbonylContact C-O 3.51Å; Q223-T236 VanDerWaalsContact CA-O 3.29Å; Q223-T236 WeakPolarHBondContact CA-O 3.17Å; Q223-K237 HydrophobicContact CG-CB 4.37Å; Q223-K237 HydrophobicContact CG-CG 4.37Å |
| 224 | L | 84.8 | Confident | 81.7 | Confident | 31 Ų | 31 | 87 Ų | 87 | 16% | 0.162 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.9 | 170.6 | -179 | 61.9 | 0 | 0 | 0 | 108.1 | A23 V235 T236 F238 | A23-L224 HydrophobicContact CB-CD1 3.69Å; L224-V235 HydrophobicContact CB-CB 4.35Å; L224-V235 HydrophobicContact CD2-CB 4.18Å; L224-V235 HydrophobicContact CD2-CG1 4.26Å; L224-V235 HydrophobicContact CG-CB 4.21Å; L224-V235 PolarHBondContact O-N 3.06Å; L224-T236 HydrophobicContact CB-CG2 3.79Å; L224-T236 HydrophobicContact CD2-CG2 4.08Å; L224-T236 PolarHBondContact N-O 2.88Å; L224-F238 HydrophobicContact CB-CE2 3.76Å; L224-F238 HydrophobicContact CB-CZ 3.98Å |
| 225 | F | 85.6 | Confident | 81.3 | Confident | 101 Ų | 101 | 86.5 Ų | 86.5 | 44% | 0.443 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.9 | 169.5 | -65.5 | -92.4 | 0 | 0 | 0 | 109.2 | Q223 L232 Q233 A234 | Q223-F225 HydrophobicContact CB-CD2 4.2Å; Q223-F225 HydrophobicContact CB-CE2 3.55Å; Q223-F225 HydrophobicContact CB-CZ 3.99Å; Q223-F225 WeakPolarHBondContact O-CD2 3.42Å; F225-L232 HydrophobicContact CB-CD2 4.33Å; F225-L232 HydrophobicContact CD1-CB 4.4Å; F225-Q233 CarbonylContact C-O 3.55Å; F225-Q233 VanDerWaalsContact CA-O 3.25Å; F225-Q233 WeakPolarHBondContact CA-O 3.17Å; F225-A234 HydrophobicContact CD1-CB 3.85Å; F225-A234 HydrophobicContact CE1-CB 3.51Å; F225-A234 HydrophobicContact CZ-CB 4.22Å |
| 226 | I | 83.7 | Confident | 80.9 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 26% | 0.256 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.4 | 168.4 | -63.6 | 174.4 | 0 | 0 | 0 | 107.1 | L118 Q228 Q233 V235 | L118-I226 HydrophobicContact CD2-CD1 3.27Å; I226-Q228 HydrophobicContact CG2-CG 3.83Å; I226-Q228 PolarHBondContact O-N 3.37Å; I226-Q233 PolarHBondContact N-O 2.85Å; I226-Q233 PolarHBondContact O-N 3.33Å; I226-V235 HydrophobicContact CB-CG2 4.09Å; I226-V235 HydrophobicContact CD1-CG2 3.58Å; I226-V235 HydrophobicContact CG1-CG2 3.6Å |
| 227 | R | 84.3 | Confident | 80.7 | Confident | 202 Ų | 202 | 83.1 Ų | 83.1 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 111.8 | 174.3 | -175.1 | 178.7 | 176.9 | 177.6 | -0.4 | 108.4 | L232 | R227-L232 HydrophobicContact CB-CD2 3.89Å; R227-L232 HydrophobicContact CG-CD2 4.19Å |
| 228 | Q | 76.1 | Confident | 80.8 | Confident | 69 Ų | 69 | 83.1 Ų | 83.1 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 110.5 | 172.2 | -62.4 | -169.5 | -2 | 0 | 0 | 108.7 | P116 I226 N230 G231 | P116-Q228 VanDerWaalsContact CG-OE1 3.29Å; I226-Q228 HydrophobicContact CG2-CG 3.83Å; I226-Q228 PolarHBondContact O-N 3.37Å; Q228-N230 PolarHBondContact O-N 3.48Å; Q228-G231 PolarHBondContact N-O 3.01Å; Q228-G231 VanDerWaalsContact N-O 3.13Å; Q228-G231 PolarHBondContact O-N 3.32Å; Q228-G231 VanDerWaalsContact O-N 3.12Å |
| 229 | G | 75.6 | Confident | 81.1 | Confident | 60 Ų | 60 | 81.3 Ų | 81.3 | 62% | 0.619 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | -119.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 230 | N | 78.3 | Confident | 81.8 | Confident | 178 Ų | 178 | 82.3 Ų | 82.3 | 95% | 0.952 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4.1 | -177.5 | -60.9 | -0.4 | 0 | 0 | 0 | 112.9 | Q228 | Q228-N230 PolarHBondContact O-N 3.48Š|
| 231 | G | 78.8 | Confident | 82.7 | Confident | 28 Ų | 28 | 80.6 Ų | 80.6 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 150.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q228 | Q228-G231 PolarHBondContact N-O 3.01Å; Q228-G231 VanDerWaalsContact N-O 3.13Å; Q228-G231 PolarHBondContact O-N 3.32Å; Q228-G231 VanDerWaalsContact O-N 3.12Å |
| 232 | L | 83.4 | Confident | 83.5 | Confident | 128 Ų | 128 | 74.2 Ų | 74.2 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.4 | 164.9 | -73.7 | 164.9 | 0 | 0 | 0 | 107.7 | F225 R227 | F225-L232 HydrophobicContact CB-CD2 4.33Å; F225-L232 HydrophobicContact CD1-CB 4.4Å; R227-L232 HydrophobicContact CB-CD2 3.89Å; R227-L232 HydrophobicContact CG-CD2 4.19Å |
| 233 | Q | 80.4 | Confident | 83.9 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.6 | 175.1 | -175.2 | 172.7 | 5.1 | 0 | 0 | 109.2 | V115 P116 F225 I226 V235 | V115-Q233 HydrophobicContact CG1-CG 4.31Å; V115-Q233 VanDerWaalsContact CG1-OE1 3.32Å; P116-Q233 PolarHBondContact O-OE1 3.33Å; P116-Q233 VanDerWaalsContact O-OE1 3.09Å; F225-Q233 CarbonylContact C-O 3.55Å; F225-Q233 VanDerWaalsContact CA-O 3.25Å; F225-Q233 WeakPolarHBondContact CA-O 3.17Å; I226-Q233 PolarHBondContact N-O 2.85Å; I226-Q233 PolarHBondContact O-N 3.33Å; Q233-V235 PolarHBondContact O-N 2.46Å |
| 234 | A | 81.4 | Confident | 84.1 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | F225 | F225-A234 HydrophobicContact CD1-CB 3.85Å; F225-A234 HydrophobicContact CE1-CB 3.51Å; F225-A234 HydrophobicContact CZ-CB 4.22Å |
| 235 | V | 82.5 | Confident | 84.3 | Confident | 43 Ų | 43 | 73 Ų | 73 | 26% | 0.261 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -60.3 | -176.8 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | D120 L122 L224 I226 Q233 | D120-V235 HydrophobicContact CB-CG1 4.16Å; D120-V235 WeakPolarHBondContact OD2-CG1 3.47Å; L122-V235 HydrophobicContact CD1-CG1 3.21Å; L224-V235 HydrophobicContact CB-CB 4.35Å; L224-V235 HydrophobicContact CD2-CB 4.18Å; L224-V235 HydrophobicContact CD2-CG1 4.26Å; L224-V235 HydrophobicContact CG-CB 4.21Å; L224-V235 PolarHBondContact O-N 3.06Å; I226-V235 HydrophobicContact CB-CG2 4.09Å; I226-V235 HydrophobicContact CD1-CG2 3.58Å; I226-V235 HydrophobicContact CG1-CG2 3.6Å; Q233-V235 PolarHBondContact O-N 2.46Å |
| 236 | T | 82.8 | Confident | 84.3 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.8 | -179.2 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | L122 N126 Q223 L224 F238 | L122-T236 HydrophobicContact CD1-CG2 4.16Å; L122-T236 HydrophobicContact CD2-CG2 4.48Å; N126-T236 HydrophobicContact CB-CG2 4.46Å; N126-T236 PolarHBondContact ND2-OG1 3.11Å; Q223-T236 CarbonylContact C-O 3.51Å; Q223-T236 VanDerWaalsContact CA-O 3.29Å; Q223-T236 WeakPolarHBondContact CA-O 3.17Å; L224-T236 HydrophobicContact CB-CG2 3.79Å; L224-T236 HydrophobicContact CD2-CG2 4.08Å; L224-T236 PolarHBondContact N-O 2.88Å; T236-F238 HydrophobicContact CG2-CE1 4.1Å; T236-F238 HydrophobicContact CG2-CE2 4.44Å; T236-F238 HydrophobicContact CG2-CZ 3.95Å |
| 237 | K | 84.6 | Confident | 84.4 | Confident | 91 Ų | 91 | 71 Ų | 71 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144.5 | 166.2 | -176.4 | -174.3 | 172.2 | -162.3 | 0 | 109.6 | Q223 D239 | Q223-K237 HydrophobicContact CG-CB 4.37Å; Q223-K237 HydrophobicContact CG-CG 4.37Å; K237-D239 VanDerWaalsContact CE-OD1 3.3Å; K237-D239 WeakPolarHBondContact CE-OD1 3.18Å; K237-D239 IonicContact NZ-OD1 3.43Å; K237-D239 PolarHBondContact NZ-OD1 3Å |
| 238 | F | 86.4 | Confident | 84.3 | Confident | 27 Ų | 27 | 64 Ų | 64 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | trans | -104.9 | 125.6 | 172.4 | -59.3 | -74.8 | 0 | 0 | 0 | 110.6 | N126 F128 R222 L224 T236 | N126-F238 HydrophobicContact CB-CD1 3.92Å; N126-F238 HydrophobicContact CB-CE1 4.03Å; F128-F238 HydrophobicContact CB-CB 3.93Å; F128-F238 HydrophobicContact CB-CD1 4.19Å; F128-F238 HydrophobicContact CB-CD2 4.39Å; F128-F238 HydrophobicContact CB-CG 3.93Å; F128-F238 HydrophobicContact CD2-CD2 4.43Å; R222-F238 HydrophobicContact CB-CD2 4.28Å; R222-F238 PolarHBondContact O-N 2.91Å; L224-F238 HydrophobicContact CB-CE2 3.76Å; L224-F238 HydrophobicContact CB-CZ 3.98Å; T236-F238 HydrophobicContact CG2-CE1 4.1Å; T236-F238 HydrophobicContact CG2-CE2 4.44Å; T236-F238 HydrophobicContact CG2-CZ 3.95Å | ||
| 239 | D | 86.1 | Confident | 84.3 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | trans | -102 | -21.7 | 176.5 | -65.4 | -33 | 0 | 0 | 0 | 112.5 | M217 K237 | M217-D239 PolarHBondContact N-O 2.87Å; K237-D239 VanDerWaalsContact CE-OD1 3.3Å; K237-D239 WeakPolarHBondContact CE-OD1 3.18Å; K237-D239 IonicContact NZ-OD1 3.43Å; K237-D239 PolarHBondContact NZ-OD1 3Å | ||
| 240 | K | 89.3 | Confident | 84.4 | Confident | 79 Ų | 79 | 70.8 Ų | 70.8 | 34% | 0.343 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.4 | -175.4 | -62.1 | 175 | -172.8 | 170.3 | 0 | 110.8 | E125 Y127 F128 V214 | E125-K240 IonicContact OE1-NZ 3.6Å; Y127-K240 HydrophobicContact CD1-CB 3.89Å; Y127-K240 HydrophobicContact CD1-CD 4.41Å; Y127-K240 HydrophobicContact CE1-CB 4.03Å; Y127-K240 HydrophobicContact CE1-CD 3.7Å; F128-K240 PolarHBondContact N-O 2.98Å; V214-K240 HydrophobicContact CG1-CB 4.05Å; V214-K240 HydrophobicContact CG1-CD 3.98Å; V214-K240 HydrophobicContact CG1-CG 4.25Å |
| 241 | K | 90.2 | Very high | 84.4 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134 | 173.6 | 177.5 | 174.4 | -179.2 | -177.3 | 0 | 110.8 | F128 L215 M217 | F128-K241 HydrophobicContact CD1-CB 4.39Å; F128-K241 HydrophobicContact CD1-CD 4.08Å; F128-K241 HydrophobicContact CD1-CG 3.96Å; F128-K241 HydrophobicContact CE1-CD 4.41Å; F128-K241 CarbonylContact O-C 3.58Å; F128-K241 WeakPolarHBondContact O-CA 2.93Å; L215-K241 HydrophobicContact CB-CB 4.4Å; L215-K241 PolarHBondContact N-O 3.46Å; L215-K241 PolarHBondContact O-N 3.15Å; M217-K241 HydrophobicContact CG-CB 3.72Å; M217-K241 HydrophobicContact SD-CB 3.85Å |
| 242 | L | 90.9 | Very high | 84.4 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.1 | 170.5 | -56.8 | 177.6 | 0 | 0 | 0 | 110.2 | Y127 F128 I129 L193 V212 R213 V214 | Y127-L242 HydrophobicContact CD1-CD1 4.04Å; Y127-L242 HydrophobicContact CD1-CD2 3.63Å; Y127-L242 HydrophobicContact CD1-CG 3.79Å; Y127-L242 HydrophobicContact CE1-CD2 4.08Å; Y127-L242 HydrophobicContact CG-CD1 3.91Å; Y127-L242 HydrophobicContact CG-CD2 4.35Å; Y127-L242 HydrophobicContact CG-CG 4.1Å; F128-L242 PolarHBondContact O-N 2.94Å; I129-L242 HydrophobicContact CD1-CD1 4.08Å; I129-L242 HydrophobicContact CG1-CB 4.16Å; I129-L242 HydrophobicContact CG1-CD1 4.12Å; I129-L242 HydrophobicContact CG1-CG 4.46Å; L193-L242 HydrophobicContact CD2-CD1 4.41Å; V212-L242 HydrophobicContact CG1-CB 3.82Å; V212-L242 HydrophobicContact CG1-CD1 4.25Å; V212-L242 HydrophobicContact CG1-CD2 3.86Å; V212-L242 HydrophobicContact CG1-CG 4.18Å; R213-L242 WeakPolarHBondContact O-CA 3.41Å; V214-L242 HydrophobicContact CB-CD2 4.29Å; V214-L242 HydrophobicContact CG1-CD2 4.32Å; V214-L242 HydrophobicContact CG2-CD2 3.71Å |
| 243 | A | 91 | Very high | 84.4 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R213 L215 | R213-A243 PolarHBondContact N-O 3.21Å; R213-A243 PolarHBondContact O-N 2.81Å; L215-A243 HydrophobicContact CD1-CB 3.98Å |
| 244 | F | 90.1 | Very high | 84.6 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 139.5 | -179.9 | -54.5 | -52.3 | 0 | 0 | 0 | 111.6 | I129 L131 P132 F134 L203 V212 | I129-F244 HydrophobicContact CD1-CZ 4.09Å; I129-F244 HydrophobicContact CG2-CD2 4.18Å; I129-F244 HydrophobicContact CG2-CE2 3.25Å; I129-F244 HydrophobicContact CG2-CZ 3.6Å; L131-F244 HydrophobicContact CD2-CE2 4.23Å; P132-F244 HydrophobicContact CG-CB 4.17Å; P132-F244 HydrophobicContact CG-CD2 4.41Å; F134-F244 HydrophobicContact CE2-CB 4.41Å; F134-F244 HydrophobicContact CZ-CB 4.35Å; L203-F244 HydrophobicContact CB-CD1 4.47Å; L203-F244 HydrophobicContact CB-CE1 4.22Å; L203-F244 HydrophobicContact CD2-CD1 4.05Å; L203-F244 HydrophobicContact CD2-CD2 4.46Å; L203-F244 HydrophobicContact CD2-CE1 3.71Å; L203-F244 HydrophobicContact CD2-CE2 4.13Å; L203-F244 HydrophobicContact CD2-CG 4.41Å; L203-F244 HydrophobicContact CD2-CZ 3.75Å; V212-F244 HydrophobicContact CB-CD1 4.17Å; V212-F244 HydrophobicContact CB-CE1 4.32Å; V212-F244 HydrophobicContact CG1-CD1 3.8Å; V212-F244 HydrophobicContact CG1-CE1 3.68Å; V212-F244 HydrophobicContact CG2-CD1 3.67Å; V212-F244 HydrophobicContact CG2-CE1 3.76Å |
| 245 | R | 87.9 | Confident | 84.7 | Confident | 143 Ų | 143 | 60.4 Ų | 60.4 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 141.4 | 174.3 | -174.1 | -179.7 | 172.3 | 161.9 | -1 | 109.5 | D211 I247 | D211-R245 PolarHBondContact N-O 2.94Å; D211-R245 PolarHBondContact O-N 2.94Å; R245-I247 PolarHBondContact O-N 3.43Å |
| 246 | P | 87.1 | Confident | 84.6 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 132 | 169.2 | -20.7 | 30.8 | 0 | 0 | 0 | 110.5 | S248 H254 M257 | P246-S248 VanDerWaalsContact C-N 3.31Å; P246-S248 PolarHBondContact O-N 2.84Å; P246-H254 HydrophobicContact CB-CB 3.97Å; P246-H254 HydrophobicContact CG-CB 4.44Å; P246-M257 HydrophobicContact CG-CE 3.31Å |
| 247 | I | 85.6 | Confident | 84.6 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -70 | -27.1 | -173.7 | -164.6 | 165.2 | 0 | 0 | 0 | 113.2 | P209 D211 R245 | P209-I247 HydrophobicContact CB-CG2 4.34Å; P209-I247 HydrophobicContact CG-CG2 3.91Å; P209-I247 WeakPolarHBondContact O-CG2 3.49Å; D211-I247 HydrophobicContact CB-CB 4.41Å; D211-I247 HydrophobicContact CB-CG1 4.41Å; R245-I247 PolarHBondContact O-N 3.43Å |
| 248 | S | 80.9 | Confident | 84.6 | Confident | 54 Ų | 54 | 59 Ų | 59 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | trans | -145.4 | 158.1 | -172.3 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | P246 N250 S251 H254 | P246-S248 VanDerWaalsContact C-N 3.31Å; P246-S248 PolarHBondContact O-N 2.84Å; S248-N250 PolarHBondContact O-N 2.72Å; S248-N250 PolarHBondContact OG-N 2.83Å; S248-S251 WeakPolarHBondContact O-CB 3.21Å; S248-S251 PolarHBondContact O-N 3.36Å; S248-H254 VanDerWaalsContact O-CB 3.31Å; S248-H254 WeakPolarHBondContact O-CB 3.35Å | ||
| 249 | M | 76.1 | Confident | 84.3 | Confident | 141 Ų | 141 | 63.5 Ų | 63.5 | 70% | 0.695 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.4 | 170.9 | -64.8 | 179.8 | 69.2 | 0 | 0 | 112.6 | S251 H254 | M249-S251 VanDerWaalsContact C-N 3.33Å; M249-H254 VanDerWaalsContact CA-CD2 3.4Å; M249-H254 WeakPolarHBondContact CA-CD2 3.48Å; M249-H254 PolarHBondContact O-CD2 2.93Å |
| 250 | N | 77.6 | Confident | 83.9 | Confident | 131 Ų | 131 | 60 Ų | 60 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -11.2 | 176.5 | -67.5 | -18.6 | 0 | 0 | 0 | 112.9 | S248 F252 Q255 | S248-N250 PolarHBondContact O-N 2.72Å; S248-N250 PolarHBondContact OG-N 2.83Å; N250-F252 PolarHBondContact O-N 3.41Å; N250-Q255 PolarHBondContact O-NE2 3.42Å; N250-Q255 VanDerWaalsContact O-NE2 3.12Å |
| 251 | S | 79.7 | Confident | 83.7 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -54.7 | 135 | 174.6 | 156.6 | 0 | 0 | 0 | 0 | 108.9 | E208 S248 M249 T253 H254 Q255 | E208-S251 WeakPolarHBondContact OE1-CB 3.32Å; E208-S251 PolarHBondContact OE1-OG 3.05Å; S248-S251 WeakPolarHBondContact O-CB 3.21Å; S248-S251 PolarHBondContact O-N 3.36Å; M249-S251 VanDerWaalsContact C-N 3.33Å; S251-T253 PolarHBondContact O-N 3.41Å; S251-T253 PolarHBondContact OG-N 2.97Å; S251-T253 PolarHBondContact OG-OG1 3.33Å; S251-H254 WeakPolarHBondContact O-CB 3.35Å; S251-H254 PolarHBondContact O-N 3.02Å; S251-Q255 WeakPolarHBondContact O-CG 3.31Å; S251-Q255 PolarHBondContact O-N 3.47Å |
| 252 | F | 79.4 | Confident | 83.4 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 37% | 0.368 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -34 | -175.6 | -175 | -99.5 | 0 | 0 | 0 | 111.6 | E170 E208 N250 R256 | E170-F252 WeakPolarHBondContact OE2-CE1 3.31Å; E208-F252 PolarHBondContact OE1-N 3.29Å; N250-F252 PolarHBondContact O-N 3.41Å; F252-R256 HydrophobicContact CE1-CG 4.24Å; F252-R256 HydrophobicContact CZ-CG 4.37Å; F252-R256 WeakPolarHBondContact O-CB 3.4Å; F252-R256 WeakPolarHBondContact O-CG 3.09Å; F252-R256 PolarHBondContact O-N 3.48Å |
| 253 | T | 83 | Confident | 82.9 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -43.1 | 173.7 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | N171 E208 F210 S251 R256 M257 | N171-T253 WeakPolarHBondContact ND2-CG2 3.36Å; N171-T253 WeakPolarHBondContact OD1-CG2 3.24Å; E208-T253 HydrophobicContact CG-CG2 3.8Å; E208-T253 WeakPolarHBondContact OE1-CG2 3.47Å; E208-T253 PolarHBondContact OE1-N 3.09Å; E208-T253 VanDerWaalsContact OE1-N 3.11Å; F210-T253 HydrophobicContact CE1-CG2 3.91Å; F210-T253 HydrophobicContact CZ-CG2 3.74Å; S251-T253 PolarHBondContact O-N 3.41Å; S251-T253 PolarHBondContact OG-N 2.97Å; S251-T253 PolarHBondContact OG-OG1 3.33Å; T253-R256 PolarHBondContact O-N 2.98Å; T253-M257 WeakPolarHBondContact O-CB 3.24Å; T253-M257 VanDerWaalsContact O-CG 3.31Å; T253-M257 WeakPolarHBondContact O-CG 3.42Å; T253-M257 PolarHBondContact O-N 3.4Å |
| 254 | H | 84 | Confident | 82.3 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 175 | -178.2 | 84.2 | 0 | 0 | 0 | 110.9 | P246 S248 M249 S251 R256 M257 T258 | P246-H254 HydrophobicContact CB-CB 3.97Å; P246-H254 HydrophobicContact CG-CB 4.44Å; S248-H254 VanDerWaalsContact O-CB 3.31Å; S248-H254 WeakPolarHBondContact O-CB 3.35Å; M249-H254 VanDerWaalsContact CA-CD2 3.4Å; M249-H254 WeakPolarHBondContact CA-CD2 3.48Å; M249-H254 PolarHBondContact O-CD2 2.93Å; S251-H254 WeakPolarHBondContact O-CB 3.35Å; S251-H254 PolarHBondContact O-N 3.02Å; H254-R256 VanDerWaalsContact C-N 3.3Å; H254-R256 PolarHBondContact O-N 3.36Å; H254-M257 PolarHBondContact O-N 3.01Å; H254-T258 PolarHBondContact CE1-OG1 3.32Å; H254-T258 PolarHBondContact NE2-OG1 3.05Å; H254-T258 VanDerWaalsContact NE2-OG1 3.15Å; H254-T258 VanDerWaalsContact O-CB 3.31Å; H254-T258 WeakPolarHBondContact O-CB 3.35Å; H254-T258 PolarHBondContact O-N 2.95Å; H254-T258 PolarHBondContact O-OG1 3.03Å |
| 255 | Q | 84.2 | Confident | 81.8 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 178.7 | -69 | -175.2 | 19.6 | 0 | 0 | 111.7 | N250 S251 K259 | N250-Q255 PolarHBondContact O-NE2 3.42Å; N250-Q255 VanDerWaalsContact O-NE2 3.12Å; S251-Q255 WeakPolarHBondContact O-CG 3.31Å; S251-Q255 PolarHBondContact O-N 3.47Å; Q255-K259 WeakPolarHBondContact O-CB 3.5Å; Q255-K259 WeakPolarHBondContact O-CG 3.4Å; Q255-K259 PolarHBondContact O-N 3.42Å |
| 256 | R | 80.5 | Confident | 81.3 | Confident | 30 Ų | 30 | 68 Ų | 68 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 178.7 | -75.6 | -171.5 | 171.7 | 171.8 | 8.5 | 112.8 | K166 L167 E170 F252 T253 H254 K259 S260 | K166-R256 VanDerWaalsContact C-NH1 3.25Å; K166-R256 VanDerWaalsContact CD-CZ 3.42Å; K166-R256 PolarHBondContact O-NH1 3.33Å; L167-R256 HydrophobicContact CD1-CB 3.84Å; L167-R256 HydrophobicContact CD1-CG 4.49Å; L167-R256 HydrophobicContact CG-CB 4.31Å; E170-R256 IonicContact OE1-CZ 3.61Å; E170-R256 IonicContact OE1-NH1 3.57Å; E170-R256 IonicContact OE1-NH2 2.71Å; E170-R256 PolarHBondContact OE1-NH2 3.06Å; E170-R256 IonicContact OE2-CZ 3.1Å; E170-R256 IonicContact OE2-NH1 2.71Å; E170-R256 PolarHBondContact OE2-NH1 3.23Å; E170-R256 IonicContact OE2-NH2 2.89Å; E170-R256 PolarHBondContact OE2-NH2 3.24Å; F252-R256 HydrophobicContact CE1-CG 4.24Å; F252-R256 HydrophobicContact CZ-CG 4.37Å; F252-R256 WeakPolarHBondContact O-CB 3.4Å; F252-R256 WeakPolarHBondContact O-CG 3.09Å; F252-R256 PolarHBondContact O-N 3.48Å; T253-R256 PolarHBondContact O-N 2.98Å; H254-R256 VanDerWaalsContact C-N 3.3Å; H254-R256 PolarHBondContact O-N 3.36Å; R256-K259 PolarHBondContact O-N 3.4Å; R256-S260 PolarHBondContact O-N 3.46Å |
| 257 | M | 81.5 | Confident | 80.5 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 21% | 0.207 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 174.9 | -75 | -160.7 | -66.7 | 0 | 0 | 110.9 | F134 L167 P246 T253 H254 K259 S260 I261 | F134-M257 HydrophobicContact CB-CG 4.36Å; F134-M257 HydrophobicContact CB-SD 3.69Å; F134-M257 HydrophobicContact CD1-CE 3.82Å; F134-M257 HydrophobicContact CD1-SD 3.33Å; F134-M257 WeakPolarHBondContact CD1-SD 3.31Å; F134-M257 HydrophobicContact CE1-CE 4.14Å; F134-M257 HydrophobicContact CE1-SD 4.13Å; F134-M257 HydrophobicContact CG-CE 4.11Å; F134-M257 HydrophobicContact CG-SD 3.69Å; L167-M257 HydrophobicContact CD2-CG 3.84Å; P246-M257 HydrophobicContact CG-CE 3.31Å; T253-M257 WeakPolarHBondContact O-CB 3.24Å; T253-M257 VanDerWaalsContact O-CG 3.31Å; T253-M257 WeakPolarHBondContact O-CG 3.42Å; T253-M257 PolarHBondContact O-N 3.4Å; H254-M257 PolarHBondContact O-N 3.01Å; M257-K259 VanDerWaalsContact C-N 3.34Å; M257-K259 PolarHBondContact O-N 3.15Å; M257-S260 PolarHBondContact O-N 2.69Å; M257-S260 VanDerWaalsContact O-N 3.14Å; M257-S260 PolarHBondContact O-OG 2.82Å; M257-I261 VanDerWaalsContact O-CG1 3.32Å; M257-I261 WeakPolarHBondContact O-CG1 3.22Å; M257-I261 PolarHBondContact O-N 2.77Å |
| 258 | T | 84.3 | Confident | 79.6 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 34% | 0.344 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | H254 S260 I261 V262 | H254-T258 PolarHBondContact CE1-OG1 3.32Å; H254-T258 PolarHBondContact NE2-OG1 3.05Å; H254-T258 VanDerWaalsContact NE2-OG1 3.15Å; H254-T258 VanDerWaalsContact O-CB 3.31Å; H254-T258 WeakPolarHBondContact O-CB 3.35Å; H254-T258 PolarHBondContact O-N 2.95Å; H254-T258 PolarHBondContact O-OG1 3.03Å; T258-S260 PolarHBondContact O-N 2.97Å; T258-I261 PolarHBondContact O-N 3.35Å; T258-V262 HydrophobicContact CG2-CG2 4.25Å; T258-V262 WeakPolarHBondContact O-CB 3.31Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 3.42Å |
| 259 | K | 81.4 | Confident | 78.7 | Confident | 121 Ų | 121 | 78 Ų | 78 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 172.8 | -76.6 | 171.2 | -176.3 | -179.6 | 0 | 111.7 | Q255 R256 M257 I261 V262 D263 | Q255-K259 WeakPolarHBondContact O-CB 3.5Å; Q255-K259 WeakPolarHBondContact O-CG 3.4Å; Q255-K259 PolarHBondContact O-N 3.42Å; R256-K259 PolarHBondContact O-N 3.4Å; M257-K259 VanDerWaalsContact C-N 3.34Å; M257-K259 PolarHBondContact O-N 3.15Å; K259-I261 VanDerWaalsContact C-N 3.31Å; K259-I261 PolarHBondContact O-N 2.81Å; K259-V262 PolarHBondContact O-N 2.7Å; K259-D263 PolarHBondContact O-N 3.29Å |
| 260 | S | 77.6 | Confident | 77.9 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.7 | -36 | 178.4 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | R256 M257 T258 R264 | R256-S260 PolarHBondContact O-N 3.46Å; M257-S260 PolarHBondContact O-N 2.69Å; M257-S260 VanDerWaalsContact O-N 3.14Å; M257-S260 PolarHBondContact O-OG 2.82Å; T258-S260 PolarHBondContact O-N 2.97Å; S260-R264 WeakPolarHBondContact O-CB 3.34Å; S260-R264 PolarHBondContact O-N 3.2Å |
| 261 | I | 83.6 | Confident | 77.3 | Confident | 103 Ų | 103 | 78.8 Ų | 78.8 | 53% | 0.528 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 176.6 | -66.3 | 165.3 | 0 | 0 | 0 | 110.3 | M257 T258 K259 R264 A265 | M257-I261 VanDerWaalsContact O-CG1 3.32Å; M257-I261 WeakPolarHBondContact O-CG1 3.22Å; M257-I261 PolarHBondContact O-N 2.77Å; T258-I261 PolarHBondContact O-N 3.35Å; K259-I261 VanDerWaalsContact C-N 3.31Å; K259-I261 PolarHBondContact O-N 2.81Å; I261-R264 PolarHBondContact O-N 2.63Å; I261-A265 WeakPolarHBondContact O-CB 3.37Å; I261-A265 PolarHBondContact O-N 3.35Å |
| 262 | V | 84.6 | Confident | 76.5 | Confident | 85 Ų | 85 | 87 Ų | 87 | 52% | 0.515 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | T258 K259 R264 A265 S266 | T258-V262 HydrophobicContact CG2-CG2 4.25Å; T258-V262 WeakPolarHBondContact O-CB 3.31Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 3.42Å; K259-V262 PolarHBondContact O-N 2.7Å; V262-R264 VanDerWaalsContact C-N 3.34Å; V262-R264 PolarHBondContact O-N 2.91Å; V262-A265 PolarHBondContact O-N 2.83Å; V262-S266 WeakPolarHBondContact O-CB 3.5Å; V262-S266 PolarHBondContact O-N 2.9Å; V262-S266 PolarHBondContact O-OG 3.29Å; V262-S266 VanDerWaalsContact O-OG 3.12Å |
| 263 | D | 80.6 | Confident | 75.7 | Confident | 57 Ų | 57 | 88.8 Ų | 88.8 | 31% | 0.305 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.7 | -61.6 | -34.6 | 0 | 0 | 0 | 111.1 | K163 K259 S266 K267 | K163-D263 IonicContact NZ-OD1 3.96Å; K163-D263 IonicContact NZ-OD2 2.54Å; K163-D263 PolarHBondContact NZ-OD2 2.9Å; K259-D263 PolarHBondContact O-N 3.29Å; D263-S266 PolarHBondContact O-OG 3.47Å; D263-K267 WeakPolarHBondContact O-CB 3.32Å; D263-K267 PolarHBondContact O-N 3.41Å |
| 264 | R | 78.2 | Confident | 74.6 | Confident | 138 Ų | 138 | 94.9 Ų | 94.9 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 175.4 | -168.2 | -175.7 | -64.2 | 168 | 0.6 | 112 | E160 S260 I261 V262 K267 A268 | E160-R264 IonicContact OE1-CZ 3.41Å; E160-R264 IonicContact OE1-NE 3.42Å; E160-R264 PolarHBondContact OE1-NE 3.11Å; E160-R264 IonicContact OE1-NH2 2.69Å; E160-R264 PolarHBondContact OE1-NH2 3.19Å; S260-R264 WeakPolarHBondContact O-CB 3.34Å; S260-R264 PolarHBondContact O-N 3.2Å; I261-R264 PolarHBondContact O-N 2.63Å; V262-R264 VanDerWaalsContact C-N 3.34Å; V262-R264 PolarHBondContact O-N 2.91Å; R264-K267 PolarHBondContact O-N 3.4Å; R264-A268 VanDerWaalsContact O-CB 3.32Å; R264-A268 WeakPolarHBondContact O-CB 3.45Å; R264-A268 PolarHBondContact O-N 3.47Å |
| 265 | A | 80.7 | Confident | 73.5 | Confident | 44 Ų | 44 | 99 Ų | 99 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I261 V262 K267 A268 Q269 | I261-A265 WeakPolarHBondContact O-CB 3.37Å; I261-A265 PolarHBondContact O-N 3.35Å; V262-A265 PolarHBondContact O-N 2.83Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-K267 PolarHBondContact O-N 3.01Å; A265-A268 PolarHBondContact O-N 2.84Å; A265-Q269 WeakPolarHBondContact O-CB 3.3Å; A265-Q269 WeakPolarHBondContact O-CG 2.94Å; A265-Q269 PolarHBondContact O-N 2.99Å |
| 266 | S | 76.1 | Confident | 72 | Confident | 72 Ų | 72 | 98.8 Ų | 98.8 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.9 | -33.7 | 176.7 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | V262 D263 | V262-S266 WeakPolarHBondContact O-CB 3.5Å; V262-S266 PolarHBondContact O-N 2.9Å; V262-S266 PolarHBondContact O-OG 3.29Å; V262-S266 VanDerWaalsContact O-OG 3.12Å; D263-S266 PolarHBondContact O-OG 3.47Å |
| 267 | K | 70.6 | Confident | 70.7 | Confident | 133 Ų | 133 | 105 Ų | 105 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.3 | -36.3 | 174.7 | -160.7 | 168.9 | -177.4 | -179.3 | 0 | 111.9 | D158 D263 R264 A265 | D158-K267 IonicContact OD1-NZ 3.29Å; D158-K267 PolarHBondContact OD1-NZ 3.4Å; D263-K267 WeakPolarHBondContact O-CB 3.32Å; D263-K267 PolarHBondContact O-N 3.41Å; R264-K267 PolarHBondContact O-N 3.4Å; A265-K267 VanDerWaalsContact C-N 3.34Å; A265-K267 PolarHBondContact O-N 3.01Å |
| 268 | A | 66.8 | Low | 69.5 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 69% | 0.694 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.7 | -31.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | R264 A265 K270 | R264-A268 VanDerWaalsContact O-CB 3.32Å; R264-A268 WeakPolarHBondContact O-CB 3.45Å; R264-A268 PolarHBondContact O-N 3.47Å; A265-A268 PolarHBondContact O-N 2.84Å; A268-K270 VanDerWaalsContact C-N 3.29Å; A268-K270 PolarHBondContact O-N 2.53Å |
| 269 | Q | 63.1 | Low | 68.4 | Low | 156 Ų | 156 | 111.5 Ų | 111.5 | 73% | 0.729 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 24.6 | -178.2 | -71.5 | -173 | -28.7 | 0 | 0 | 114.5 | A265 V271 | A265-Q269 WeakPolarHBondContact O-CB 3.3Å; A265-Q269 WeakPolarHBondContact O-CG 2.94Å; A265-Q269 PolarHBondContact O-N 2.99Å; Q269-V271 PolarHBondContact O-N 2.76Å |
| 270 | K | 58.8 | Low | 67.3 | Low | 167 Ų | 167 | 110.5 Ų | 110.5 | 73% | 0.726 | 61% | 0.607 | S | S | * | * | trans | -69.6 | 69 | 166.2 | -74.5 | -174.7 | 178.1 | -179.5 | 0 | 110.4 | A268 K272 | A268-K270 VanDerWaalsContact C-N 3.29Å; A268-K270 PolarHBondContact O-N 2.53Å; K270-K272 VanDerWaalsContact C-N 3.33Å; K270-K272 PolarHBondContact O-N 3.09Å | ||
| 271 | V | 64.4 | Low | 66.8 | Low | 121 Ų | 121 | 114.2 Ų | 114.2 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | trans | -59.6 | 106.2 | 150.6 | 178.6 | 0 | 0 | 0 | 0 | 104.7 | Q269 V273 | Q269-V271 PolarHBondContact O-N 2.76Å; V271-V273 HydrophobicContact CG1-CG2 4.11Å; V271-V273 PolarHBondContact O-N 2.88Å | ||
| 272 | K | 62.3 | Low | 66.1 | Low | 184 Ų | 184 | 114.6 Ų | 114.6 | 80% | 0.8 | 63% | 0.63 | S | S | * | * | trans | -66.2 | 86.4 | 170.2 | -69.7 | -178.5 | -179.7 | 177.5 | 0 | 107.1 | K270 L274 | K270-K272 VanDerWaalsContact C-N 3.33Å; K270-K272 PolarHBondContact O-N 3.09Å; K272-L274 PolarHBondContact O-N 3.06Å | ||
| 273 | V | 63.2 | Low | 65.2 | Low | 121 Ų | 121 | 115.1 Ų | 115.1 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | trans | -69.1 | 89.3 | 161.3 | -177.1 | 0 | 0 | 0 | 0 | 105.1 | V271 P275 | V271-V273 HydrophobicContact CG1-CG2 4.11Å; V271-V273 PolarHBondContact O-N 2.88Å; V273-P275 WeakPolarHBondContact O-CD 3.46Å; V273-P275 VanDerWaalsContact O-N 3.14Å | ||
| 274 | L | 59.6 | Low | 64.6 | Low | 129 Ų | 129 | 115.4 Ų | 115.4 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | trans | -58.2 | 113.6 | 170.8 | -76 | 163 | 0 | 0 | 0 | 106.9 | K272 A276 | K272-L274 PolarHBondContact O-N 3.06Å; L274-A276 PolarHBondContact O-N 2.95Å | ||
| 275 | P | 60.6 | Low | 64.3 | Low | 134 Ų | 134 | 115.1 Ų | 115.1 | 87% | 0.87 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -79.8 | 54.4 | 174.6 | 34.9 | -30.6 | 0 | 0 | 0 | 108.4 | V273 | V273-P275 WeakPolarHBondContact O-CD 3.46Å; V273-P275 VanDerWaalsContact O-N 3.14Å |
| 276 | A | 54 | Low | 64.2 | Low | 74 Ų | 74 | 118.2 Ų | 118.2 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | trans | -173.2 | 62.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L274 G278 | L274-A276 PolarHBondContact O-N 2.95Å; A276-G278 PolarHBondContact O-N 2.87Å | ||
| 277 | I | 52.6 | Low | 64.3 | Low | 159 Ų | 159 | 120.2 Ų | 120.2 | 82% | 0.815 | 64% | 0.644 | S | S | * | * | trans | -62.1 | 100.1 | 140 | -80.7 | 153.9 | 0 | 0 | 0 | 103.5 | K279 | I277-K279 PolarHBondContact O-N 3.07Š| ||
| 278 | G | 56.6 | Low | 64.6 | Low | 53 Ų | 53 | 119 Ų | 119 | 55% | 0.546 | 64% | 0.643 | S | S | . | * | trans | -47.2 | 136.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | A276 D280 | A276-G278 PolarHBondContact O-N 2.87Å; G278-D280 PolarHBondContact O-N 3.02Å | ||
| 279 | K | 60.8 | Low | 65.2 | Low | 182 Ų | 182 | 119.2 Ų | 119.2 | 79% | 0.791 | 63% | 0.632 | S | S | * | * | trans | -36.7 | 119.3 | 177.3 | -75.9 | 172.4 | 175.9 | 175 | 0 | 109 | I277 V284 | I277-K279 PolarHBondContact O-N 3.07Å; K279-V284 HydrophobicContact CB-CG2 4.3Å | ||
| 280 | D | 58.8 | Low | 66.1 | Low | 101 Ų | 101 | 118.7 Ų | 118.7 | 54% | 0.54 | 63% | 0.627 | S | S | . | * | trans | -38.8 | 117.2 | 179.2 | -102 | -33.3 | 0 | 0 | 0 | 109.2 | G278 E282 L283 V284 | G278-D280 PolarHBondContact O-N 3.02Å; D280-E282 PolarHBondContact O-N 2.79Å; D280-E282 VanDerWaalsContact O-N 3.1Å; D280-L283 HydrophobicContact CB-CB 4.15Å; D280-L283 WeakPolarHBondContact O-CB 3.46Å; D280-L283 PolarHBondContact O-N 3.11Å; D280-V284 PolarHBondContact O-N 2.94Å | ||
| 281 | P | 67.3 | Low | 67.3 | Low | 102 Ų | 102 | 116.9 Ų | 116.9 | 66% | 0.662 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.4 | -23.5 | -177.9 | 24.1 | -33 | 0 | 0 | 0 | 111 | K285 | P281-K285 WeakPolarHBondContact O-CB 3.07Å; P281-K285 PolarHBondContact O-N 2.89Å |
| 282 | E | 69.1 | Low | 67.8 | Low | 111 Ų | 111 | 117.1 Ų | 117.1 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.3 | -46.2 | 168 | -83.9 | -86.1 | 134.6 | 0 | 0 | 112.6 | D280 K285 Q286 | D280-E282 PolarHBondContact O-N 2.79Å; D280-E282 VanDerWaalsContact O-N 3.1Å; E282-K285 PolarHBondContact O-N 3.27Å; E282-Q286 WeakPolarHBondContact O-CB 3.32Å; E282-Q286 WeakPolarHBondContact O-CG 3.5Å; E282-Q286 PolarHBondContact O-N 3.07Å; E282-Q286 PolarHBondContact OE2-NE2 2.92Å |
| 283 | L | 66 | Low | 68.8 | Low | 95 Ų | 95 | 114.4 Ų | 114.4 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.4 | -38.7 | -178.3 | -117.5 | 168 | 0 | 0 | 0 | 111.6 | D280 Q287 | D280-L283 HydrophobicContact CB-CB 4.15Å; D280-L283 WeakPolarHBondContact O-CB 3.46Å; D280-L283 PolarHBondContact O-N 3.11Å; L283-Q287 WeakPolarHBondContact O-CB 3.33Å; L283-Q287 VanDerWaalsContact O-CG 3.28Å; L283-Q287 WeakPolarHBondContact O-CG 3.36Å; L283-Q287 PolarHBondContact O-N 2.84Å |
| 284 | V | 67.4 | Low | 69.7 | Low | 64 Ų | 64 | 114.8 Ų | 114.8 | 39% | 0.388 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.4 | -43.1 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | K279 D280 Q287 L288 | K279-V284 HydrophobicContact CB-CG2 4.3Å; D280-V284 PolarHBondContact O-N 2.94Å; V284-Q287 PolarHBondContact O-N 2.86Å; V284-L288 HydrophobicContact CG1-CD1 4.25Å; V284-L288 WeakPolarHBondContact O-CB 3.47Å; V284-L288 PolarHBondContact O-N 2.9Å |
| 285 | K | 72.3 | Confident | 70.9 | Confident | 131 Ų | 131 | 116.5 Ų | 116.5 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.4 | -42.9 | 176.3 | -173.8 | -179.6 | 177.5 | -173.6 | 0 | 111.6 | P281 E282 L288 I289 | P281-K285 WeakPolarHBondContact O-CB 3.07Å; P281-K285 PolarHBondContact O-N 2.89Å; E282-K285 PolarHBondContact O-N 3.27Å; K285-L288 PolarHBondContact O-N 2.95Å; K285-I289 HydrophobicContact CG-CD1 3.86Å; K285-I289 WeakPolarHBondContact O-CB 3.15Å; K285-I289 WeakPolarHBondContact O-CD1 3.39Å; K285-I289 WeakPolarHBondContact O-CG1 3.24Å; K285-I289 PolarHBondContact O-N 2.8Å |
| 286 | Q | 77.5 | Confident | 71.7 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 51% | 0.514 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66 | -38.4 | 176.4 | -74.2 | 176.8 | 17.6 | 0 | 0 | 112.3 | E282 I289 K290 | E282-Q286 WeakPolarHBondContact O-CB 3.32Å; E282-Q286 WeakPolarHBondContact O-CG 3.5Å; E282-Q286 PolarHBondContact O-N 3.07Å; E282-Q286 PolarHBondContact OE2-NE2 2.92Å; Q286-I289 PolarHBondContact O-N 3.33Å; Q286-K290 VanDerWaalsContact O-CB 3.28Å; Q286-K290 WeakPolarHBondContact O-CB 2.72Å; Q286-K290 PolarHBondContact O-N 3.32Å |
| 287 | Q | 78.8 | Confident | 72.9 | Confident | 114 Ų | 114 | 121.1 Ų | 121.1 | 53% | 0.533 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.7 | -41.7 | 174 | -75.8 | 178.8 | 2.5 | 0 | 0 | 112.1 | L283 V284 K290 Q291 | L283-Q287 WeakPolarHBondContact O-CB 3.33Å; L283-Q287 VanDerWaalsContact O-CG 3.28Å; L283-Q287 WeakPolarHBondContact O-CG 3.36Å; L283-Q287 PolarHBondContact O-N 2.84Å; V284-Q287 PolarHBondContact O-N 2.86Å; Q287-K290 PolarHBondContact O-N 2.85Å; Q287-Q291 WeakPolarHBondContact O-CB 3.42Å; Q287-Q291 VanDerWaalsContact O-CG 3.32Å; Q287-Q291 WeakPolarHBondContact O-CG 3.45Å; Q287-Q291 PolarHBondContact O-N 3.41Å |
| 288 | L | 77.5 | Confident | 74 | Confident | 106 Ų | 106 | 116.9 Ų | 116.9 | 56% | 0.555 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.8 | -44.6 | 174.3 | -99.4 | 155.4 | 0 | 0 | 0 | 112 | V284 K285 K290 Q291 E292 | V284-L288 HydrophobicContact CG1-CD1 4.25Å; V284-L288 WeakPolarHBondContact O-CB 3.47Å; V284-L288 PolarHBondContact O-N 2.9Å; K285-L288 PolarHBondContact O-N 2.95Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 2.85Å; L288-Q291 PolarHBondContact O-N 2.95Å; L288-E292 WeakPolarHBondContact O-CB 3.31Å; L288-E292 PolarHBondContact O-N 2.74Å |
| 289 | I | 78.1 | Confident | 75.3 | Confident | 89 Ų | 89 | 120.1 Ų | 120.1 | 46% | 0.456 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.9 | -44.5 | 175.7 | -70.8 | 165.6 | 0 | 0 | 0 | 110.4 | K285 Q286 E292 E293 | K285-I289 HydrophobicContact CG-CD1 3.86Å; K285-I289 WeakPolarHBondContact O-CB 3.15Å; K285-I289 WeakPolarHBondContact O-CD1 3.39Å; K285-I289 WeakPolarHBondContact O-CG1 3.24Å; K285-I289 PolarHBondContact O-N 2.8Å; Q286-I289 PolarHBondContact O-N 3.33Å; I289-E292 PolarHBondContact O-N 2.8Å; I289-E293 VanDerWaalsContact O-CB 3.3Å; I289-E293 WeakPolarHBondContact O-CB 3.23Å; I289-E293 PolarHBondContact O-N 2.97Å |
| 290 | K | 83 | Confident | 76.1 | Confident | 146 Ų | 146 | 114 Ų | 114 | 64% | 0.635 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.1 | -39.7 | 178.9 | -171 | 176.4 | -179 | 178.5 | 0 | 112.3 | Q286 Q287 L288 E294 | Q286-K290 VanDerWaalsContact O-CB 3.28Å; Q286-K290 WeakPolarHBondContact O-CB 2.72Å; Q286-K290 PolarHBondContact O-N 3.32Å; Q287-K290 PolarHBondContact O-N 2.85Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 2.85Å; K290-E294 WeakPolarHBondContact O-CB 3.3Å; K290-E294 PolarHBondContact O-N 3.36Å |
| 291 | Q | 82.7 | Confident | 77.1 | Confident | 129 Ų | 129 | 117.7 Ų | 117.7 | 60% | 0.603 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.1 | -38.2 | 174.5 | -75.9 | -178.4 | 12.5 | 0 | 0 | 111.9 | Q287 L288 R295 | Q287-Q291 WeakPolarHBondContact O-CB 3.42Å; Q287-Q291 VanDerWaalsContact O-CG 3.32Å; Q287-Q291 WeakPolarHBondContact O-CG 3.45Å; Q287-Q291 PolarHBondContact O-N 3.41Å; L288-Q291 PolarHBondContact O-N 2.95Å; Q291-R295 VanDerWaalsContact O-CB 3.24Å; Q291-R295 WeakPolarHBondContact O-CB 3.17Å; Q291-R295 PolarHBondContact O-N 3.21Å |
| 292 | E | 75.9 | Confident | 77.4 | Confident | 125 Ų | 125 | 119.6 Ų | 119.6 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.5 | -40.5 | 175.9 | -172.2 | 163.9 | -145.3 | 0 | 0 | 111.6 | L288 I289 R295 L296 | L288-E292 WeakPolarHBondContact O-CB 3.31Å; L288-E292 PolarHBondContact O-N 2.74Å; I289-E292 PolarHBondContact O-N 2.8Å; E292-R295 CarbonylContact O-C 3.55Å; E292-R295 PolarHBondContact O-N 3.05Å; E292-L296 HydrophobicContact CG-CD1 3.94Å; E292-L296 WeakPolarHBondContact O-CB 3.44Å; E292-L296 PolarHBondContact O-N 2.86Å |
| 293 | E | 83.2 | Confident | 77.7 | Confident | 128 Ų | 128 | 119.1 Ų | 119.1 | 60% | 0.598 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64 | -42.1 | 174.1 | -168.1 | -173.2 | 172.3 | 0 | 0 | 111.2 | I289 L296 R297 | I289-E293 VanDerWaalsContact O-CB 3.3Å; I289-E293 WeakPolarHBondContact O-CB 3.23Å; I289-E293 PolarHBondContact O-N 2.97Å; E293-L296 PolarHBondContact O-N 2.99Å; E293-R297 WeakPolarHBondContact O-CB 3.34Å; E293-R297 PolarHBondContact O-N 2.84Å |
| 294 | E | 81.5 | Confident | 78.1 | Confident | 128 Ų | 128 | 117.7 Ų | 117.7 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.9 | -37.7 | 174.7 | -170.2 | 174.8 | -174.5 | 0 | 0 | 111.6 | K290 R297 T298 | K290-E294 WeakPolarHBondContact O-CB 3.3Å; K290-E294 PolarHBondContact O-N 3.36Å; E294-R297 PolarHBondContact O-N 2.68Å; E294-T298 WeakPolarHBondContact O-CB 3.44Å; E294-T298 VanDerWaalsContact O-CG2 3.31Å; E294-T298 WeakPolarHBondContact O-CG2 3.49Å; E294-T298 PolarHBondContact O-N 2.88Å; E294-T298 PolarHBondContact O-OG1 3.27Å |
| 295 | R | 85 | Confident | 78.5 | Confident | 165 Ų | 165 | 119.3 Ų | 119.3 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.9 | -39.3 | 173.7 | -166.8 | 176 | -174.9 | 173.9 | -0.1 | 111.8 | Q291 E292 T298 K299 | Q291-R295 VanDerWaalsContact O-CB 3.24Å; Q291-R295 WeakPolarHBondContact O-CB 3.17Å; Q291-R295 PolarHBondContact O-N 3.21Å; E292-R295 CarbonylContact O-C 3.55Å; E292-R295 PolarHBondContact O-N 3.05Å; R295-T298 WeakPolarHBondContact CA-OG1 3.46Å; R295-T298 PolarHBondContact O-OG1 3.21Å; R295-K299 VanDerWaalsContact O-CB 3.3Å; R295-K299 WeakPolarHBondContact O-CB 3.11Å; R295-K299 VanDerWaalsContact O-CG 3.24Å; R295-K299 WeakPolarHBondContact O-CG 3.43Å; R295-K299 PolarHBondContact O-N 2.71Å |
| 296 | L | 76.6 | Confident | 78.5 | Confident | 111 Ų | 111 | 119.3 Ų | 119.3 | 58% | 0.581 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.2 | -41 | 172.9 | -107.6 | 107.7 | 0 | 0 | 0 | 111 | E292 E293 T298 K299 A300 | E292-L296 HydrophobicContact CG-CD1 3.94Å; E292-L296 WeakPolarHBondContact O-CB 3.44Å; E292-L296 PolarHBondContact O-N 2.86Å; E293-L296 PolarHBondContact O-N 2.99Å; L296-T298 PolarHBondContact O-N 2.76Å; L296-K299 PolarHBondContact O-N 3.42Å; L296-A300 VanDerWaalsContact O-CB 3.24Å; L296-A300 WeakPolarHBondContact O-CB 3.41Å; L296-A300 PolarHBondContact O-N 2.83Å |
| 297 | R | 80 | Confident | 78 | Confident | 194 Ų | 194 | 121 Ų | 121 | 73% | 0.732 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.1 | -40.8 | 178.7 | -168.2 | 174.2 | -173.1 | -176.1 | 3.2 | 111.7 | E293 E294 R301 | E293-R297 WeakPolarHBondContact O-CB 3.34Å; E293-R297 PolarHBondContact O-N 2.84Å; E294-R297 PolarHBondContact O-N 2.68Å; R297-R301 VanDerWaalsContact O-CB 3.31Å; R297-R301 WeakPolarHBondContact O-CB 3.42Å; R297-R301 PolarHBondContact O-N 2.99Å |
| 298 | T | 76.6 | Confident | 77.3 | Confident | 71 Ų | 71 | 124 Ų | 124 | 44% | 0.436 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.8 | -38.6 | 174.8 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | E294 R295 L296 R301 K302 | E294-T298 WeakPolarHBondContact O-CB 3.44Å; E294-T298 VanDerWaalsContact O-CG2 3.31Å; E294-T298 WeakPolarHBondContact O-CG2 3.49Å; E294-T298 PolarHBondContact O-N 2.88Å; E294-T298 PolarHBondContact O-OG1 3.27Å; R295-T298 WeakPolarHBondContact CA-OG1 3.46Å; R295-T298 PolarHBondContact O-OG1 3.21Å; L296-T298 PolarHBondContact O-N 2.76Å; T298-R301 PolarHBondContact O-N 2.87Å; T298-K302 WeakPolarHBondContact O-CG 3.39Å; T298-K302 PolarHBondContact O-N 2.83Å |
| 299 | K | 82.2 | Confident | 76.5 | Confident | 120 Ų | 120 | 124.7 Ų | 124.7 | 52% | 0.522 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -46.2 | 171.8 | -77.9 | 177.3 | 178.4 | -179 | 0 | 112 | R295 L296 R301 K302 E303 | R295-K299 VanDerWaalsContact O-CB 3.3Å; R295-K299 WeakPolarHBondContact O-CB 3.11Å; R295-K299 VanDerWaalsContact O-CG 3.24Å; R295-K299 WeakPolarHBondContact O-CG 3.43Å; R295-K299 PolarHBondContact O-N 2.71Å; L296-K299 PolarHBondContact O-N 3.42Å; K299-R301 VanDerWaalsContact C-N 3.32Å; K299-R301 PolarHBondContact O-N 2.78Å; K299-K302 CarbonylContact O-C 3.48Å; K299-K302 PolarHBondContact O-N 2.91Å; K299-K302 VanDerWaalsContact O-N 3.17Å; K299-E303 WeakPolarHBondContact O-CB 3.33Å; K299-E303 PolarHBondContact O-N 2.88Å |
| 300 | A | 79.5 | Confident | 75.8 | Confident | 55 Ų | 55 | 127.7 Ų | 127.7 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.1 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L296 S304 | L296-A300 VanDerWaalsContact O-CB 3.24Å; L296-A300 WeakPolarHBondContact O-CB 3.41Å; L296-A300 PolarHBondContact O-N 2.83Å; A300-S304 VanDerWaalsContact O-CB 3.28Å; A300-S304 WeakPolarHBondContact O-CB 3.48Å; A300-S304 PolarHBondContact O-N 2.77Å; A300-S304 PolarHBondContact O-OG 2.72Å |
| 301 | R | 78.1 | Confident | 74.6 | Confident | 177 Ų | 177 | 126.2 Ų | 126.2 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.6 | -41 | 172.5 | -167.9 | 175.9 | -177.5 | -175.8 | 1.6 | 112.1 | R297 T298 K299 S304 Q305 | R297-R301 VanDerWaalsContact O-CB 3.31Å; R297-R301 WeakPolarHBondContact O-CB 3.42Å; R297-R301 PolarHBondContact O-N 2.99Å; T298-R301 PolarHBondContact O-N 2.87Å; K299-R301 VanDerWaalsContact C-N 3.32Å; K299-R301 PolarHBondContact O-N 2.78Å; R301-S304 PolarHBondContact O-OG 2.97Å; R301-S304 VanDerWaalsContact O-OG 3.11Å; R301-Q305 WeakPolarHBondContact O-CB 3.33Å; R301-Q305 WeakPolarHBondContact O-CG 3.42Å; R301-Q305 PolarHBondContact O-N 3.44Å; R301-Q305 VanDerWaalsContact O-N 3.09Å |
| 302 | K | 75.4 | Confident | 73.3 | Confident | 143 Ų | 143 | 127.9 Ų | 127.9 | 62% | 0.622 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.1 | -41.1 | 174 | -75.7 | -177.7 | 178.1 | -178.5 | 0 | 111.7 | T298 K299 Q305 Q306 | T298-K302 WeakPolarHBondContact O-CG 3.39Å; T298-K302 PolarHBondContact O-N 2.83Å; K299-K302 CarbonylContact O-C 3.48Å; K299-K302 PolarHBondContact O-N 2.91Å; K299-K302 VanDerWaalsContact O-N 3.17Å; K302-Q305 PolarHBondContact O-N 3.19Å; K302-Q306 WeakPolarHBondContact O-CB 3.01Å; K302-Q306 VanDerWaalsContact O-CG 3.29Å; K302-Q306 WeakPolarHBondContact O-CG 3.42Å; K302-Q306 PolarHBondContact O-N 2.98Å |
| 303 | E | 74.7 | Confident | 72.4 | Confident | 101 Ų | 101 | 125.7 Ų | 125.7 | 47% | 0.472 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.6 | -42.6 | 179 | -169.7 | -175.7 | 163.1 | 0 | 0 | 111.4 | K299 Q305 Q306 R307 | K299-E303 WeakPolarHBondContact O-CB 3.33Å; K299-E303 PolarHBondContact O-N 2.88Å; E303-Q305 VanDerWaalsContact C-N 3.34Å; E303-Q305 PolarHBondContact O-N 2.89Å; E303-Q306 CarbonylContact O-C 3.59Å; E303-Q306 PolarHBondContact O-N 3.32Å; E303-R307 WeakPolarHBondContact O-CB 3.49Å; E303-R307 PolarHBondContact O-N 2.97Å; E303-R307 IonicContact OE1-NE 3.48Å; E303-R307 PolarHBondContact OE1-NE 3.49Å; E303-R307 IonicContact OE1-NH2 3.69Å |
| 304 | S | 75 | Confident | 71.2 | Confident | 64 Ų | 64 | 127.1 Ų | 127.1 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.4 | -34.4 | 174.6 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | A300 R301 R308 | A300-S304 VanDerWaalsContact O-CB 3.28Å; A300-S304 WeakPolarHBondContact O-CB 3.48Å; A300-S304 PolarHBondContact O-N 2.77Å; A300-S304 PolarHBondContact O-OG 2.72Å; R301-S304 PolarHBondContact O-OG 2.97Å; R301-S304 VanDerWaalsContact O-OG 3.11Å; S304-R308 WeakPolarHBondContact O-CB 3.5Å; S304-R308 PolarHBondContact O-N 3.04Å |
| 305 | Q | 75.1 | Confident | 69.9 | Low | 98 Ų | 98 | 129.2 Ų | 129.2 | 46% | 0.458 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.4 | -41.3 | 171.2 | -78.2 | -175.5 | -5.6 | 0 | 0 | 111.9 | R301 K302 E303 R308 I309 | R301-Q305 WeakPolarHBondContact O-CB 3.33Å; R301-Q305 WeakPolarHBondContact O-CG 3.42Å; R301-Q305 PolarHBondContact O-N 3.44Å; R301-Q305 VanDerWaalsContact O-N 3.09Å; K302-Q305 PolarHBondContact O-N 3.19Å; E303-Q305 VanDerWaalsContact C-N 3.34Å; E303-Q305 PolarHBondContact O-N 2.89Å; Q305-R308 PolarHBondContact O-N 3.14Å; Q305-I309 WeakPolarHBondContact O-CD1 3.34Å; Q305-I309 WeakPolarHBondContact O-CG1 3.47Å; Q305-I309 PolarHBondContact O-N 2.78Å |
| 306 | Q | 73.1 | Confident | 68.1 | Low | 131 Ų | 131 | 130.3 Ų | 130.3 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.2 | -40 | 176.8 | -76.1 | 179.7 | 1.4 | 0 | 0 | 112.3 | K302 E303 I309 K310 | K302-Q306 WeakPolarHBondContact O-CB 3.01Å; K302-Q306 VanDerWaalsContact O-CG 3.29Å; K302-Q306 WeakPolarHBondContact O-CG 3.42Å; K302-Q306 PolarHBondContact O-N 2.98Å; E303-Q306 CarbonylContact O-C 3.59Å; E303-Q306 PolarHBondContact O-N 3.32Å; Q306-I309 PolarHBondContact O-N 2.9Å; Q306-K310 VanDerWaalsContact O-CB 3.27Å; Q306-K310 WeakPolarHBondContact O-CB 3.13Å; Q306-K310 PolarHBondContact O-N 3.43Å |
| 307 | R | 66 | Low | 66.7 | Low | 147 Ų | 147 | 128 Ų | 128 | 56% | 0.555 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.5 | -45 | 170.6 | -81.5 | -170.6 | -177.9 | -143.8 | 3.5 | 110.9 | E303 I309 K310 E311 | E303-R307 WeakPolarHBondContact O-CB 3.49Å; E303-R307 PolarHBondContact O-N 2.97Å; E303-R307 IonicContact OE1-NE 3.48Å; E303-R307 PolarHBondContact OE1-NE 3.49Å; E303-R307 IonicContact OE1-NH2 3.69Å; R307-I309 VanDerWaalsContact C-N 3.29Å; R307-I309 PolarHBondContact O-N 2.62Å; R307-K310 PolarHBondContact O-N 2.81Å; R307-E311 VanDerWaalsContact O-CB 3.3Å; R307-E311 WeakPolarHBondContact O-CB 3.39Å; R307-E311 WeakPolarHBondContact O-CG 3.3Å; R307-E311 PolarHBondContact O-N 2.97Å |
| 308 | R | 63.6 | Low | 65.2 | Low | 175 Ų | 175 | 127.5 Ų | 127.5 | 66% | 0.66 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.6 | -37.8 | 172.9 | -97.9 | 179.3 | 65.3 | -161.3 | 1.8 | 112.9 | S304 Q305 R312 | S304-R308 WeakPolarHBondContact O-CB 3.5Å; S304-R308 PolarHBondContact O-N 3.04Å; Q305-R308 PolarHBondContact O-N 3.14Å; R308-R312 WeakPolarHBondContact O-CB 3.24Å; R308-R312 PolarHBondContact O-N 3.38Å |
| 309 | I | 62 | Low | 63.8 | Low | 122 Ų | 122 | 128.2 Ų | 128.2 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.3 | -38.8 | 178.6 | -68.3 | 161 | 0 | 0 | 0 | 110.6 | Q305 Q306 R307 S313 | Q305-I309 WeakPolarHBondContact O-CD1 3.34Å; Q305-I309 WeakPolarHBondContact O-CG1 3.47Å; Q305-I309 PolarHBondContact O-N 2.78Å; Q306-I309 PolarHBondContact O-N 2.9Å; R307-I309 VanDerWaalsContact C-N 3.29Å; R307-I309 PolarHBondContact O-N 2.62Å; I309-S313 WeakPolarHBondContact O-CB 3.15Å; I309-S313 PolarHBondContact O-N 3.3Å; I309-S313 VanDerWaalsContact O-N 3.09Å |
| 310 | K | 63.1 | Low | 62.5 | Low | 152 Ų | 152 | 129 Ų | 129 | 66% | 0.661 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.6 | -43.1 | 179.4 | -161.9 | 170 | 179.8 | -179.8 | 0 | 112 | Q306 R307 S313 Q314 | Q306-K310 VanDerWaalsContact O-CB 3.27Å; Q306-K310 WeakPolarHBondContact O-CB 3.13Å; Q306-K310 PolarHBondContact O-N 3.43Å; R307-K310 PolarHBondContact O-N 2.81Å; K310-S313 WeakPolarHBondContact O-CB 3.29Å; K310-S313 PolarHBondContact O-N 3.03Å; K310-S313 PolarHBondContact O-OG 2.87Å; K310-Q314 WeakPolarHBondContact O-CG 3.2Å; K310-Q314 PolarHBondContact O-N 2.8Å |
| 311 | E | 58.1 | Low | 61.6 | Low | 114 Ų | 114 | 131.3 Ų | 131.3 | 53% | 0.533 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.8 | -35.5 | 175 | -72.3 | 173.6 | -178.2 | 0 | 0 | 112 | R307 S313 Q314 H315 | R307-E311 VanDerWaalsContact O-CB 3.3Å; R307-E311 WeakPolarHBondContact O-CB 3.39Å; R307-E311 WeakPolarHBondContact O-CG 3.3Å; R307-E311 PolarHBondContact O-N 2.97Å; E311-S313 PolarHBondContact O-N 3.33Å; E311-Q314 PolarHBondContact O-N 3.09Å; E311-Q314 VanDerWaalsContact O-N 3.11Å; E311-H315 PolarHBondContact O-N 3Å |
| 312 | R | 54.5 | Low | 60.6 | Low | 164 Ų | 164 | 134.1 Ų | 134.1 | 62% | 0.619 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.5 | -18.9 | 172.1 | -169.1 | 172 | -174.4 | -150.1 | 2.7 | 112.8 | R308 | R308-R312 WeakPolarHBondContact O-CB 3.24Å; R308-R312 PolarHBondContact O-N 3.38Å |
| 313 | S | 57.3 | Low | 59.5 | Low | 79 Ų | 79 | 134.7 Ų | 134.7 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.6 | -24.8 | 171.4 | 81.3 | 0 | 0 | 0 | 0 | 112.9 | I309 K310 E311 | I309-S313 WeakPolarHBondContact O-CB 3.15Å; I309-S313 PolarHBondContact O-N 3.3Å; I309-S313 VanDerWaalsContact O-N 3.09Å; K310-S313 WeakPolarHBondContact O-CB 3.29Å; K310-S313 PolarHBondContact O-N 3.03Å; K310-S313 PolarHBondContact O-OG 2.87Å; E311-S313 PolarHBondContact O-N 3.33Å |
| 314 | Q | 58.3 | Low | 58.2 | Low | 158 Ų | 158 | 139 Ų | 139 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -92.3 | -11.9 | -177.2 | -62.1 | -138.6 | -36.1 | 0 | 0 | 114.3 | K310 E311 | K310-Q314 WeakPolarHBondContact O-CG 3.2Å; K310-Q314 PolarHBondContact O-N 2.8Å; E311-Q314 PolarHBondContact O-N 3.09Å; E311-Q314 VanDerWaalsContact O-N 3.11Å |
| 315 | H | 54.3 | Low | 57.2 | Low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -112.1 | 10.8 | 176.8 | -68.8 | -62.7 | 0 | 0 | 0 | 114.8 | E311 G317 | E311-H315 PolarHBondContact O-N 3Å; H315-G317 PolarHBondContact O-N 3.33Å |
| 316 | R | 47.1 | Very low | 55.6 | Low | 189 Ų | 189 | 143.7 Ų | 143.7 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.4 | 89.8 | 171.5 | -125.4 | 176.1 | -177.2 | 170 | -4.2 | 109 | L318 | R316-L318 PolarHBondContact O-N 3.43Š|
| 317 | G | 46.2 | Very low | 54.2 | Low | 61 Ų | 61 | 147.5 Ų | 147.5 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | -53.4 | 133.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | H315 S319 | H315-G317 PolarHBondContact O-N 3.33Å; G317-S319 PolarHBondContact O-N 3.3Å | ||
| 318 | L | 49.8 | Very low | 53 | Low | 185 Ų | 185 | 148.6 Ų | 148.6 | 97% | 0.969 | 73% | 0.734 | S | S | * | * | trans | 21 | 66 | 145.1 | -60.8 | 161.2 | 0 | 0 | 0 | 115.2 | R316 T320 | R316-L318 PolarHBondContact O-N 3.43Å; L318-T320 PolarHBondContact O-N 3.19Å | ||
| 319 | S | 46.6 | Very low | 51.8 | Low | 86 Ų | 86 | 146.4 Ų | 146.4 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | trans | -87.9 | 109.9 | 169.9 | 61.6 | 0 | 0 | 0 | 0 | 108.9 | G317 S321 | G317-S319 PolarHBondContact O-N 3.3Å; S319-S321 PolarHBondContact O-N 3.11Å | ||
| 320 | T | 55.1 | Low | 50.6 | Low | 137 Ų | 137 | 145 Ų | 145 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 16.5 | 10.4 | 148.5 | 89.2 | 0 | 0 | 0 | 0 | 122.3 | L318 | L318-T320 PolarHBondContact O-N 3.19Š|
| 321 | S | 59.5 | Low | 49.3 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -116.5 | 5.2 | -172.4 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | S319 | S319-S321 PolarHBondContact O-N 3.11Š| ||
| 322 | Y | 57.6 | Low | 48.3 | Very low | 236 Ų | 236 | 149.6 Ų | 149.6 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -109.5 | 11.7 | 173.3 | -92.7 | -90.3 | 0 | 0 | 0 | 112.4 | ||
| 323 | L | 52.9 | Low | 47.4 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -104.8 | 112.4 | 168 | -87.3 | 161.2 | 0 | 0 | 0 | 107.5 | ||
| 324 | E | 47.8 | Very low | 46.8 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -53.7 | 123.8 | -178.9 | -66.2 | 176.9 | 146 | 0 | 0 | 111.9 | D326 | E324-D326 PolarHBondContact O-N 2.84Š| ||
| 325 | P | 53 | Low | 46.2 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -80.4 | 106.4 | 156.4 | 17.1 | -1.4 | 0 | 0 | 0 | 107.5 | ||||
| 326 | D | 42.4 | Very low | 45.9 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -46.3 | 132.1 | 171 | -145.4 | -3.5 | 0 | 0 | 0 | 111.6 | E324 | E324-D326 PolarHBondContact O-N 2.84Š| ||
| 327 | R | 43.6 | Very low | 46.2 | Very low | 211 Ų | 211 | 145 Ų | 145 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 71.5 | 123.7 | 155.7 | -70.3 | 167.2 | 177.8 | -144.5 | -5 | 121.1 | ||||
| 328 | H | 41.1 | Very low | 47.2 | Very low | 169 Ų | 169 | 146 Ų | 146 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | trans | 59.3 | 100.9 | 147.5 | -81.6 | -76.9 | 0 | 0 | 0 | 117 | ||||
| 329 | D | 37.3 | Very low | 47.9 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | 84.9 | 123.3 | 77.4 | -162.8 | 18.5 | 0 | 0 | 0 | 111 | |||||
| 330 | S | 37 | Very low | 49 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 61.8 | 141 | 162 | 61.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 331 | E | 35.7 | Very low | 49.5 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | cis | -169.2 | -179.2 | -11.1 | -109.7 | 177.9 | -154.6 | 0 | 0 | 102.3 | ||||
| 332 | E | 38.1 | Very low | 49.9 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | 81.6 | 133.3 | -179.5 | -52.9 | 175.8 | 176.3 | 0 | 0 | 112.9 | ||||
| 333 | E | 35.5 | Very low | 50.4 | Low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | cis | -176.8 | -179.8 | 4.6 | -177.7 | 171.7 | -172.5 | 0 | 0 | 104.3 | ||||
| 334 | E | 44 | Very low | 51.2 | Low | 161 Ų | 161 | 136.5 Ų | 136.5 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | trans | 87.1 | 116.7 | 156.2 | -51.7 | -168.9 | 147.8 | 0 | 0 | 121 | N336 | E334-N336 PolarHBondContact O-N 2.79Š| ||
| 335 | G | 45.1 | Very low | 52.1 | Low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | 92.6 | 4.3 | 93.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | V337 | G335-V337 PolarHBondContact O-N 3.4Š| |||
| 336 | N | 48.1 | Very low | 52.6 | Low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | trans | -85.5 | 68.8 | -172.2 | -67.9 | -14.9 | 0 | 0 | 0 | 114.9 | E334 S338 | E334-N336 PolarHBondContact O-N 2.79Å; N336-S338 PolarHBondContact O-N 2.93Å | ||
| 337 | V | 52.9 | Low | 53.5 | Low | 117 Ų | 117 | 139 Ų | 139 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | trans | -66.5 | 97.1 | 164.2 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | G335 | G335-V337 PolarHBondContact O-N 3.4Š| ||
| 338 | S | 68.9 | Low | 54.3 | Low | 82 Ų | 82 | 133 Ų | 133 | 57% | 0.573 | 69% | 0.689 | S | S | * | * | trans | -67.8 | 132.8 | -173 | -147.8 | 0 | 0 | 0 | 0 | 113.3 | N336 S340 A341 | N336-S338 PolarHBondContact O-N 2.93Å; S338-S340 PolarHBondContact O-N 3.17Å; S338-A341 WeakPolarHBondContact O-CB 3.41Å; S338-A341 PolarHBondContact O-N 2.96Å | ||
| 339 | L | 64.7 | Low | 54.9 | Low | 147 Ų | 147 | 128.2 Ų | 128.2 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -46.5 | -24.2 | 178.7 | -80.4 | 159.8 | 0 | 0 | 0 | 115.3 | K343 | L339-K343 PolarHBondContact O-N 3.23Å |
| 340 | S | 68.7 | Low | 55.7 | Low | 80 Ų | 80 | 125.7 Ų | 125.7 | 56% | 0.559 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.9 | -20.4 | 177.2 | -62.3 | 0 | 0 | 0 | 0 | 114 | S338 R344 | S338-S340 PolarHBondContact O-N 3.17Å; S340-R344 PolarHBondContact O-NE 3.46Å |
| 341 | A | 66.3 | Low | 56.5 | Low | 40 Ų | 40 | 128.7 Ų | 128.7 | 33% | 0.331 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -77 | -41.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | S338 R344 K345 | S338-A341 WeakPolarHBondContact O-CB 3.41Å; S338-A341 PolarHBondContact O-N 2.96Å; A341-R344 PolarHBondContact O-N 2.95Å; A341-K345 PolarHBondContact O-N 3.06Å |
| 342 | I | 66.5 | Low | 57.2 | Low | 84 Ų | 84 | 126.9 Ų | 126.9 | 43% | 0.431 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -64.8 | -42.7 | 177 | -60.4 | 172.3 | 0 | 0 | 0 | 110.3 | R344 K345 F346 | I342-R344 VanDerWaalsContact C-N 3.31Å; I342-R344 PolarHBondContact O-N 2.8Å; I342-K345 PolarHBondContact O-N 3.13Å; I342-F346 HydrophobicContact CG2-CD2 3.92Å; I342-F346 HydrophobicContact CG2-CE2 3.97Å; I342-F346 WeakPolarHBondContact O-CD2 2.99Å; I342-F346 PolarHBondContact O-N 3.12Å |
| 343 | K | 69.3 | Low | 57.9 | Low | 163 Ų | 163 | 128.2 Ų | 128.2 | 71% | 0.709 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66 | -26.6 | 180 | -164.2 | 171 | -179.4 | 171.5 | 0 | 114.4 | L339 K347 | L339-K343 PolarHBondContact O-N 3.23Å; K343-K347 PolarHBondContact O-N 3.48Å |
| 344 | R | 68.2 | Low | 58.6 | Low | 187 Ų | 187 | 130.5 Ų | 130.5 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.1 | -37.9 | 175.2 | -78.9 | -175.2 | -74.9 | 175.1 | -0.7 | 112.1 | S340 A341 I342 K347 | S340-R344 PolarHBondContact O-NE 3.46Å; A341-R344 PolarHBondContact O-N 2.95Å; I342-R344 VanDerWaalsContact C-N 3.31Å; I342-R344 PolarHBondContact O-N 2.8Å; R344-K347 PolarHBondContact O-N 3.15Å |
| 345 | K | 67.6 | Low | 58.9 | Low | 173 Ų | 173 | 130.7 Ų | 130.7 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.3 | -33.6 | 178.2 | -64.4 | -155 | 177.6 | -163.3 | 0 | 113 | A341 I342 S348 | A341-K345 PolarHBondContact O-N 3.06Å; I342-K345 PolarHBondContact O-N 3.13Å; K345-S348 PolarHBondContact O-OG 3.09Å |
| 346 | F | 63.6 | Low | 59.2 | Low | 161 Ų | 161 | 134.9 Ų | 134.9 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76.9 | -19.3 | 176.6 | -85.8 | -85.8 | 0 | 0 | 0 | 114.5 | I342 | I342-F346 HydrophobicContact CG2-CD2 3.92Å; I342-F346 HydrophobicContact CG2-CE2 3.97Å; I342-F346 WeakPolarHBondContact O-CD2 2.99Å; I342-F346 PolarHBondContact O-N 3.12Å |
| 347 | K | 62 | Low | 59.2 | Low | 172 Ų | 172 | 136.5 Ų | 136.5 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -89.5 | -17.4 | -178.3 | -167.5 | 151.6 | 179.1 | 168.7 | 0 | 114 | K343 R344 | K343-K347 PolarHBondContact O-N 3.48Å; R344-K347 PolarHBondContact O-N 3.15Å |
| 348 | S | 59.8 | Low | 58.6 | Low | 86 Ų | 86 | 135.9 Ų | 135.9 | 60% | 0.601 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83 | -23.1 | 173.6 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | K345 | K345-S348 PolarHBondContact O-OG 3.09Å |
| 349 | G | 53.5 | Low | 57.1 | Low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -5.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 350 | A | 54.9 | Low | 55.7 | Low | 76 Ų | 76 | 135.9 Ų | 135.9 | 63% | 0.628 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 3.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 351 | K | 52.2 | Low | 54.2 | Low | 157 Ų | 157 | 135.2 Ų | 135.2 | 68% | 0.683 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -94.9 | -14.8 | -171.7 | -136.8 | 179.1 | -179.2 | -171.7 | 0 | 114.3 | ||
| 352 | D | 51.2 | Low | 53.1 | Low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -90.4 | -4.2 | -174.7 | -63.7 | -28.5 | 0 | 0 | 0 | 114.2 | ||
| 353 | Y | 52 | Low | 51.8 | Low | 214 Ų | 214 | 144.9 Ų | 144.9 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -104.6 | -8.2 | -175.4 | -157.2 | -101 | 0 | 0 | 0 | 115 | ||
| 354 | Y | 50.5 | Low | 50.6 | Low | 209 Ų | 209 | 141.3 Ų | 141.3 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -112 | 6.9 | -173.3 | -138 | -91.1 | 0 | 0 | 0 | 114.8 | ||
| 355 | Q | 50 | Low | 49.6 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -103.6 | 1.2 | -176 | -114.1 | 163.3 | -8.4 | 0 | 0 | 114.7 | ||
| 356 | Q | 52.1 | Low | 49.2 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -99.5 | -6 | -177.6 | -78.8 | -178 | -8.6 | 0 | 0 | 115.7 | ||
| 357 | F | 47.9 | Very low | 49.1 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -142 | 43.4 | -171.1 | -67.3 | -75.2 | 0 | 0 | 0 | 116.4 | ||
| 358 | S | 41.4 | Very low | 48.9 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -157.2 | 85.6 | 166.6 | -163.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 359 | S | 37.8 | Very low | 48.8 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | 55 | 115.8 | 69.2 | 137.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 360 | S | 35.2 | Very low | 49.1 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | 88.8 | 115.7 | 143.9 | -156.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 361 | G | 36.1 | Very low | 49.5 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | trans | 112.3 | 87.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 362 | S | 43.7 | Very low | 49.8 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | 159.2 | 138 | 124.6 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | A364 | S362-A364 PolarHBondContact O-N 3.22Š| |||
| 363 | E | 39.2 | Very low | 50.2 | Low | 203 Ų | 203 | 140.2 Ų | 140.2 | 95% | 0.949 | 71% | 0.709 | S | S | * | * | trans | -77.5 | 106.3 | -162.6 | -56.4 | 179.5 | 142 | 0 | 0 | 111.2 | ||||
| 364 | A | 44 | Very low | 50.5 | Low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -96 | 110.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S362 | S362-A364 PolarHBondContact O-N 3.22Š| ||
| 365 | S | 48 | Very low | 50.8 | Low | 78 Ų | 78 | 132.6 Ų | 132.6 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | trans | -43.1 | 136.9 | 178.5 | 175.1 | 0 | 0 | 0 | 0 | 113.7 | D367 E368 | S365-D367 PolarHBondContact O-N 3.21Å; S365-D367 PolarHBondContact OG-N 2.83Å; S365-E368 PolarHBondContact O-N 3.1Å | ||
| 366 | I | 59.2 | Low | 51.1 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 61% | 0.605 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -23.9 | -179.3 | -75.7 | 163.9 | 0 | 0 | 0 | 112.5 | E368 R369 Y370 | I366-E368 PolarHBondContact O-N 3.34Å; I366-R369 PolarHBondContact O-N 3.28Å; I366-Y370 HydrophobicContact CG2-CD2 3.9Å; I366-Y370 HydrophobicContact CG2-CE2 3.55Å; I366-Y370 WeakPolarHBondContact O-CD2 3.2Å |
| 367 | D | 61.3 | Low | 51.1 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 62% | 0.62 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65 | -32.7 | -178.3 | -89.5 | -63.1 | 0 | 0 | 0 | 114.7 | S365 R369 Y370 | S365-D367 PolarHBondContact O-N 3.21Å; S365-D367 PolarHBondContact OG-N 2.83Å; D367-R369 PolarHBondContact O-N 3.47Å; D367-Y370 PolarHBondContact O-N 2.98Å |
| 368 | E | 57.9 | Low | 51.3 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 56% | 0.556 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73 | -21.2 | -178.3 | -161.7 | 67.8 | -152.1 | 0 | 0 | 111.8 | S365 I366 | S365-E368 PolarHBondContact O-N 3.1Å; I366-E368 PolarHBondContact O-N 3.34Å |
| 369 | R | 56 | Low | 51.8 | Low | 178 Ų | 178 | 128.1 Ų | 128.1 | 67% | 0.672 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -81.8 | -31.7 | -179.9 | -133.6 | -172.3 | -65.2 | -161.4 | 2.4 | 112.2 | I366 D367 I373 | I366-R369 PolarHBondContact O-N 3.28Å; D367-R369 PolarHBondContact O-N 3.47Å; R369-I373 VanDerWaalsContact O-CD1 3.28Å; R369-I373 WeakPolarHBondContact O-CD1 3.25Å; R369-I373 VanDerWaalsContact O-CG1 3.31Å; R369-I373 WeakPolarHBondContact O-CG1 3.17Å |
| 370 | Y | 61 | Low | 52 | Low | 151 Ų | 151 | 131.2 Ų | 131.2 | 59% | 0.592 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74.4 | -37.2 | 177.9 | -79.4 | -80.1 | 0 | 0 | 0 | 112.7 | I366 D367 R372 I373 D374 | I366-Y370 HydrophobicContact CG2-CD2 3.9Å; I366-Y370 HydrophobicContact CG2-CE2 3.55Å; I366-Y370 WeakPolarHBondContact O-CD2 3.2Å; D367-Y370 PolarHBondContact O-N 2.98Å; Y370-R372 PolarHBondContact O-N 3.07Å; Y370-I373 PolarHBondContact O-N 3.48Å; Y370-D374 PolarHBondContact O-N 3.28Å |
| 371 | R | 62.9 | Low | 52.4 | Low | 183 Ų | 183 | 131.3 Ų | 131.3 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67 | -29.5 | -180 | -69.6 | -160.4 | 175.7 | -157 | -0.5 | 115 | ||
| 372 | R | 58.4 | Low | 52.9 | Low | 178 Ų | 178 | 135.3 Ų | 135.3 | 67% | 0.672 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -78 | -22.9 | 175.3 | -67.9 | -171.5 | -155.8 | 160.9 | 8.7 | 113.1 | Y370 S376 | Y370-R372 PolarHBondContact O-N 3.07Å; R372-S376 PolarHBondContact O-OG 2.92Å |
| 373 | I | 59.8 | Low | 53 | Low | 72 Ų | 72 | 138.9 Ų | 138.9 | 37% | 0.369 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -80.6 | -35.4 | 178.9 | -65.6 | 168.4 | 0 | 0 | 0 | 110.6 | R369 Y370 S376 K377 | R369-I373 VanDerWaalsContact O-CD1 3.28Å; R369-I373 WeakPolarHBondContact O-CD1 3.25Å; R369-I373 VanDerWaalsContact O-CG1 3.31Å; R369-I373 WeakPolarHBondContact O-CG1 3.17Å; Y370-I373 PolarHBondContact O-N 3.48Å; I373-S376 PolarHBondContact O-OG 2.87Å; I373-K377 HydrophobicContact CG2-CD 4.2Å; I373-K377 WeakPolarHBondContact O-CG 3.46Å |
| 374 | D | 57.4 | Low | 53.3 | Low | 104 Ų | 104 | 132.7 Ų | 132.7 | 56% | 0.556 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -76 | -30.2 | 178.9 | -79.8 | -18.6 | 0 | 0 | 0 | 113.8 | Y370 S376 I378 | Y370-D374 PolarHBondContact O-N 3.28Å; D374-S376 VanDerWaalsContact C-N 3.31Å; D374-S376 PolarHBondContact O-N 2.75Å; D374-I378 WeakPolarHBondContact O-CD1 3.3Å |
| 375 | Q | 56.8 | Low | 53.4 | Low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -12.7 | 177.3 | -67.5 | -176.9 | 10.6 | 0 | 0 | 113.8 | ||
| 376 | S | 56.4 | Low | 53.2 | Low | 86 Ų | 86 | 143 Ų | 143 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 2 | 178.1 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | R372 I373 D374 | R372-S376 PolarHBondContact O-OG 2.92Å; I373-S376 PolarHBondContact O-OG 2.87Å; D374-S376 VanDerWaalsContact C-N 3.31Å; D374-S376 PolarHBondContact O-N 2.75Å |
| 377 | K | 52.4 | Low | 52.3 | Low | 157 Ų | 157 | 142.3 Ų | 142.3 | 68% | 0.683 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -108.4 | 2.3 | 178.3 | -75.7 | -178.9 | 176.5 | -177.9 | 0 | 114.8 | I373 | I373-K377 HydrophobicContact CG2-CD 4.2Å; I373-K377 WeakPolarHBondContact O-CG 3.46Å |
| 378 | I | 52.6 | Low | 51.5 | Low | 143 Ų | 143 | 141.9 Ų | 141.9 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -101.3 | 0.9 | -176.8 | -67.7 | 168 | 0 | 0 | 0 | 112.4 | D374 | D374-I378 WeakPolarHBondContact O-CD1 3.3Š|
| 379 | L | 50.9 | Low | 50.7 | Low | 140 Ų | 140 | 141.4 Ų | 141.4 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -137 | 87.6 | 177.9 | -69.8 | 163.4 | 0 | 0 | 0 | 107.2 | ||
| 380 | D | 43.7 | Very low | 50.1 | Low | 170 Ų | 170 | 142.3 Ų | 142.3 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | 159.4 | 79.8 | 159.7 | -82.3 | -16.1 | 0 | 0 | 0 | 110 | ||||
| 381 | S | 43.5 | Very low | 49.6 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -175.5 | 126.1 | 161.6 | -158.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 382 | D | 46.8 | Very low | 48.7 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | cis | -168.8 | 133.1 | -6.7 | -173 | 17.8 | 0 | 0 | 0 | 103.7 | ||||
| 383 | E | 44.7 | Very low | 48.5 | Very low | 199 Ų | 199 | 140 Ų | 140 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -77.3 | 121 | 173.7 | -81.3 | -179.5 | 142.9 | 0 | 0 | 108.5 | ||||
| 384 | G | 46.4 | Very low | 48.1 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -139.2 | 100.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 385 | E | 44.9 | Very low | 48 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -55.9 | 137.6 | 169.1 | -57.4 | 179.3 | 156.3 | 0 | 0 | 110.6 | ||||
| 386 | E | 44.2 | Very low | 47.8 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -163.4 | 117.5 | 135.9 | -85.2 | -122.4 | 168.2 | 0 | 0 | 109.3 | ||||
| 387 | A | 40.6 | Very low | 48 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -74.2 | 126.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 388 | S | 44.1 | Very low | 48.2 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -142.3 | 116.5 | 154.7 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 389 | S | 40.8 | Very low | 48.4 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -72.1 | 132.4 | 176 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 390 | F | 44.4 | Very low | 48.6 | Very low | 198 Ų | 198 | 155.5 Ų | 155.5 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | -124 | 118 | 150.4 | -77.4 | -76.2 | 0 | 0 | 0 | 108.3 | ||||
| 391 | P | 51 | Low | 48.8 | Very low | 110 Ų | 110 | 154.8 Ų | 154.8 | 71% | 0.714 | 84% | 0.838 | S | S | * | * | trans | -78.9 | 144.6 | 178.1 | 32.2 | -30.6 | 0 | 0 | 0 | 110.3 | V393 | P391-V393 PolarHBondContact O-N 3.21Š| ||
| 392 | R | 43 | Very low | 49.1 | Very low | 235 Ų | 235 | 156.4 Ų | 156.4 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | -63.7 | 123.7 | 162.7 | -81.4 | 178.3 | 173.7 | 159.5 | -2.4 | 108.5 | I394 | R392-I394 PolarHBondContact O-N 2.91Š| ||
| 393 | V | 53.5 | Low | 49.2 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 71% | 0.709 | 84% | 0.838 | S | S | * | * | trans | -78.3 | 112.6 | 164.1 | 177.1 | 0 | 0 | 0 | 0 | 107.2 | P391 E395 | P391-V393 PolarHBondContact O-N 3.21Å; V393-E395 HydrophobicContact CG1-CG 3.86Å | ||
| 394 | I | 52.1 | Low | 49.5 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 71% | 0.708 | 83% | 0.833 | S | S | * | * | trans | -114.3 | 108.1 | 156.2 | -69.3 | 168.5 | 0 | 0 | 0 | 102.9 | R392 | R392-I394 PolarHBondContact O-N 2.91Š| ||
| 395 | E | 55.4 | Low | 49.7 | Very low | 174 Ų | 174 | 159.3 Ų | 159.3 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | trans | -87.2 | 100.8 | 166.7 | -77.7 | 172.7 | 173.9 | 0 | 0 | 106.4 | V393 | V393-E395 HydrophobicContact CG1-CG 3.86Š| ||
| 396 | D | 53.1 | Low | 50 | Low | 147 Ų | 147 | 157.1 Ų | 157.1 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | trans | -105.7 | 112.9 | 147.8 | -77.6 | -44.4 | 0 | 0 | 0 | 104.2 | ||||
| 397 | D | 59.2 | Low | 50.4 | Low | 149 Ų | 149 | 154.9 Ų | 154.9 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -125.6 | 98.7 | 172.9 | -138.5 | 7.7 | 0 | 0 | 0 | 107.3 | ||||
| 398 | D | 57.9 | Low | 51.2 | Low | 146 Ų | 146 | 158.7 Ų | 158.7 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | 37.7 | 129.5 | 138.3 | -63.8 | -27.2 | 0 | 0 | 0 | 122.1 | ||||
| 399 | E | 56.8 | Low | 51.7 | Low | 189 Ų | 189 | 163.1 Ų | 163.1 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -22.3 | 128.5 | 156.6 | -61.5 | 176.7 | 153.9 | 0 | 0 | 117.7 | ||||
| 400 | D | 53.8 | Low | 52.7 | Low | 245 Ų | 245 | 168 Ų | 168 | 100% | 1.31 | 84% | 0.841 | S | S | * | * | -146 | 0 | 128.7 | -98.6 | -32.4 | 0 | 0 | 0 | 109.7 |
Retrieved 400 of 400 residues in 77.1 ms
(Link to these results)