| 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 | 33.2 | Very low | 32.9 | Very low | 249 Ų | 249 | 153.3 Ų | 153.3 | 100% | 1.227 | 84% | 0.844 | S | S | * | * | 0 | 142.6 | 0 | -70 | 166.7 | 171.5 | 0 | 0 | 108 | |||||
| 2 | T | 33.4 | Very low | 32.3 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 82% | 0.816 | 84% | 0.843 | S | S | * | * | trans | -83.4 | -179.8 | 166.2 | 41.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | P | 46.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 74% | 0.74 | 85% | 0.845 | S | S | * | * | cis | -109.3 | -143.5 | -1.2 | 22 | 4.1 | 0 | 0 | 0 | 110.8 | ||||
| 4 | T | 30.2 | Very low | 31.8 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 78% | 0.779 | 84% | 0.841 | S | S | * | * | cis | -159.5 | 161.1 | 12 | -33.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 5 | L | 33.4 | Very low | 31.6 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | trans | -89.5 | 158.9 | 167.2 | -76.2 | 131.2 | 0 | 0 | 0 | 112.5 | ||||
| 6 | I | 30.3 | Very low | 31.3 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 84% | 0.836 | 84% | 0.842 | S | S | * | * | trans | -131.5 | 137.7 | 162.5 | -65.3 | -178.7 | 0 | 0 | 0 | 109.7 | ||||
| 7 | R | 32.8 | Very low | 31.1 | Very low | 235 Ų | 235 | 150.2 Ų | 150.2 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | trans | -100.4 | 149.1 | 168.3 | -66.9 | 178.5 | 174.5 | -178.5 | -2.4 | 110.3 | ||||
| 8 | P | 34.4 | Very low | 30.8 | Very low | 129 Ų | 129 | 148 Ų | 148 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | -98.5 | 169.2 | 151.2 | 35.2 | -28.1 | 0 | 0 | 0 | 111.9 | ||||
| 9 | S | 28.7 | Very low | 30.5 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 84% | 0.836 | S | S | * | * | trans | -151.9 | 163.3 | -173.3 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 10 | S | 29.7 | Very low | 30.5 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | 74.9 | 175.3 | 158.4 | 81.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 11 | I | 29.9 | Very low | 30.2 | Very low | 161 Ų | 161 | 150 Ų | 150 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | 76.5 | 130.1 | -173.9 | -53.1 | 169 | 0 | 0 | 0 | 112.6 | ||||
| 12 | C | 25.6 | Very low | 29.9 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | cis | -132.4 | -179.5 | 7.4 | -151.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 13 | R | 29.4 | Very low | 29.6 | Very low | 229 Ų | 229 | 152.2 Ų | 152.2 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -119.2 | 172.5 | 179.6 | -84.7 | -173.3 | 174.2 | -172 | -0 | 112.6 | ||||
| 14 | S | 28.5 | Very low | 28.6 | Very low | 113 Ų | 113 | 152.1 Ų | 152.1 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | 86.4 | 145 | 166.4 | 83.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 15 | L | 28.9 | Very low | 28.6 | Very low | 171 Ų | 171 | 153.3 Ų | 153.3 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | cis | -131.8 | 171.3 | 21.7 | -88.8 | 154.6 | 0 | 0 | 0 | 113.4 | ||||
| 16 | S | 26.6 | Very low | 28.4 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -137 | 138.9 | -177.8 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 17 | S | 27.8 | Very low | 28.2 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -155.8 | 124.2 | 167 | -152.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 18 | C | 25.5 | Very low | 28 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | 36 | 134.3 | 133.6 | -87.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 19 | R | 25.2 | Very low | 28 | Very low | 225 Ų | 225 | 145.8 Ų | 145.8 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | cis | -151 | 137.7 | 9.4 | -70.2 | -172.3 | 173.1 | 168.1 | -3.1 | 114 | ||||
| 20 | I | 29.4 | Very low | 28.2 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | 34.7 | 120.8 | 130.3 | -70.2 | 158.6 | 0 | 0 | 0 | 121.6 | ||||
| 21 | C | 25.5 | Very low | 28.3 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | trans | 66.3 | 121.3 | 142.8 | -76.9 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 22 | R | 27.2 | Very low | 28.3 | Very low | 239 Ų | 239 | 145.1 Ų | 145.1 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | 43.9 | 118.9 | 121.9 | -65.6 | 179.9 | 168.4 | -171.1 | -4 | 119.9 | |||||
| 23 | M | 25.8 | Very low | 28.6 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 93% | 0.931 | 81% | 0.805 | S | S | * | * | -143.4 | 168.7 | 125 | -154.6 | 145.6 | 85.8 | 0 | 0 | 110.9 | |||||
| 24 | C | 25.5 | Very low | 28.9 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -56.5 | 141.5 | -176.7 | -65 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 25 | L | 30.4 | Very low | 29.2 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | 71.1 | 85.1 | 52.6 | -159.8 | 174.8 | 0 | 0 | 0 | 111.7 | |||||
| 26 | L | 28.7 | Very low | 29.4 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -177.4 | 154.2 | 151.2 | -101.4 | 158.2 | 0 | 0 | 0 | 110.2 | ||||
| 27 | M | 27.3 | Very low | 29.8 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 59.4 | 103.8 | 178.4 | -53 | -51.9 | 171.4 | 0 | 0 | 116 | ||||
| 28 | S | 28 | Very low | 30.1 | Very low | 87 Ų | 87 | 142 Ų | 142 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | 88.6 | 113.3 | 54.6 | 73.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 29 | T | 34.2 | Very low | 30.3 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | 61.4 | 147.1 | 178.9 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 30 | V | 33.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | cis | -125.7 | 159.6 | 26.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 31 | S | 31.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -72.7 | 158.5 | -179.9 | -162.7 | 0 | 0 | 0 | 0 | 113.6 | T33 | S31-T33 PolarHBondContact O-N 2.83Š| ||
| 32 | S | 30.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -67.5 | 122.6 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | A34 | S32-A34 PolarHBondContact O-N 3.22Š| ||
| 33 | T | 31.6 | Very low | 31.8 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -74.9 | 103.2 | 167.9 | 33.9 | 0 | 0 | 0 | 0 | 109.8 | S31 | S31-T33 PolarHBondContact O-N 2.83Š| ||
| 34 | A | 34.4 | Very low | 32.2 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -65.4 | 147.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S32 | S32-A34 PolarHBondContact O-N 3.22Š| ||
| 35 | I | 36.3 | Very low | 32.5 | Very low | 157 Ų | 157 | 143 Ų | 143 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -61.5 | 130 | 168.7 | -60.7 | 162.8 | 0 | 0 | 0 | 108 | A37 | I35-A37 PolarHBondContact O-N 2.88Š| ||
| 36 | P | 33.3 | Very low | 32.9 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -68.8 | 103.2 | 173.7 | 28.2 | -32.9 | 0 | 0 | 0 | 109.2 | F38 | P36-F38 PolarHBondContact O-N 3.07Š| ||
| 37 | A | 34.9 | Very low | 33.3 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 129.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | I35 S39 | I35-A37 PolarHBondContact O-N 2.88Å; A37-S39 PolarHBondContact O-N 3.01Å; A37-S39 VanDerWaalsContact O-N 3.12Å |
| 38 | F | 32.6 | Very low | 34 | Very low | 211 Ų | 211 | 140.6 Ų | 140.6 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 119.2 | 170.9 | -97.3 | -110.1 | 0 | 0 | 0 | 109 | P36 | P36-F38 PolarHBondContact O-N 3.07Š|
| 39 | S | 30.6 | Very low | 35.1 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 136.8 | 173.7 | 43.5 | 0 | 0 | 0 | 0 | 109.5 | A37 F41 | A37-S39 PolarHBondContact O-N 3.01Å; A37-S39 VanDerWaalsContact O-N 3.12Å; S39-F41 PolarHBondContact O-N 2.97Å |
| 40 | P | 35.7 | Very low | 36.2 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132.1 | 169.5 | 26.7 | -32.8 | 0 | 0 | 0 | 108.5 | S42 | P40-S42 PolarHBondContact O-N 2.98Å; P40-S42 VanDerWaalsContact O-N 3.09Å |
| 41 | F | 36.2 | Very low | 38.4 | Very low | 201 Ų | 201 | 130.2 Ų | 130.2 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 118.1 | -177.1 | -170.3 | -98.3 | 0 | 0 | 0 | 110.1 | S39 R43 | S39-F41 PolarHBondContact O-N 2.97Å; F41-R43 PolarHBondContact O-N 3.43Å |
| 42 | S | 31.5 | Very low | 41.1 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 68% | 0.68 | S | S | * | * | trans | -66.4 | 107.5 | -173.5 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | P40 R44 | P40-S42 PolarHBondContact O-N 2.98Å; P40-S42 VanDerWaalsContact O-N 3.09Å; S42-R44 PolarHBondContact O-N 3.41Å | ||
| 43 | R | 35.8 | Very low | 44.1 | Very low | 237 Ų | 237 | 121.6 Ų | 121.6 | 89% | 0.894 | 65% | 0.65 | S | S | * | * | trans | -62.4 | 89 | 163.4 | -73.8 | -171.2 | 178.2 | -163.5 | -0.8 | 107.6 | F41 K45 | F41-R43 PolarHBondContact O-N 3.43Å; R43-K45 PolarHBondContact O-N 2.79Å | ||
| 44 | R | 33 | Very low | 47 | Very low | 192 Ų | 192 | 115 Ų | 115 | 73% | 0.725 | 61% | 0.61 | S | S | * | * | trans | -49.8 | 116 | 160.8 | -77.9 | -175.2 | 173.7 | -179.2 | -1.5 | 106 | S42 Y46 | S42-R44 PolarHBondContact O-N 3.41Å; R44-Y46 HydrophobicContact CB-CD2 4.18Å; R44-Y46 HydrophobicContact CB-CE2 4.03Å; R44-Y46 PolarHBondContact O-N 2.63Å | ||
| 45 | K | 31.8 | Very low | 49.8 | Very low | 207 Ų | 207 | 113 Ų | 113 | 90% | 0.9 | 58% | 0.584 | S | S | * | * | trans | -66.6 | 93.7 | 161.6 | -69.4 | -175.3 | 179.4 | -176.2 | 0 | 105.3 | R43 S47 | R43-K45 PolarHBondContact O-N 2.79Å; K45-S47 PolarHBondContact O-N 3.36Å | ||
| 46 | Y | 39 | Very low | 52.4 | Low | 168 Ų | 168 | 106 Ų | 106 | 66% | 0.659 | 55% | 0.548 | S | S | * | . | trans | -54.1 | 137.7 | 161.1 | -82.2 | -97.6 | 0 | 0 | 0 | 107 | R44 | R44-Y46 HydrophobicContact CB-CD2 4.18Å; R44-Y46 HydrophobicContact CB-CE2 4.03Å; R44-Y46 PolarHBondContact O-N 2.63Å | ||
| 47 | S | 38.2 | Very low | 55.1 | Low | 100 Ų | 100 | 103.5 Ų | 103.5 | 70% | 0.699 | 53% | 0.53 | S | S | * | . | trans | -57.7 | 159.7 | 175.2 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | K45 A49 | K45-S47 PolarHBondContact O-N 3.36Å; S47-A49 PolarHBondContact O-N 2.94Å | ||
| 48 | T | 42.1 | Very low | 57.4 | Low | 142 Ų | 142 | 104.9 Ų | 104.9 | 87% | 0.871 | 52% | 0.521 | S | S | * | . | trans | -72.6 | 61.9 | 155.4 | 53.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 49 | A | 51.1 | Low | 59.9 | Low | 34 Ų | 34 | 94.9 Ų | 94.9 | 28% | 0.281 | 48% | 0.477 | S | S | . | . | trans | -66.1 | 147.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | S47 M51 | S47-A49 PolarHBondContact O-N 2.94Å; A49-M51 PolarHBondContact O-N 3.33Å | ||
| 50 | N | 56.1 | Low | 62.7 | Low | 57 Ų | 57 | 91 Ų | 91 | 31% | 0.305 | 45% | 0.45 | S | S | . | . | trans | -63.2 | 135 | 164.3 | -61.5 | -18.1 | 0 | 0 | 0 | 107.6 | D113 R114 D144 | N50-D113 VanDerWaalsContact CA-OD2 3.26Å; N50-D113 WeakPolarHBondContact CA-OD2 3.18Å; N50-D113 HydrophobicContact CB-CB 3.92Å; N50-R114 VanDerWaalsContact ND2-CZ 3.33Å; N50-D144 HydrophobicContact CB-CB 4.39Å; N50-D144 WeakPolarHBondContact CB-OD1 3.47Å; N50-D144 WeakPolarHBondContact CB-OD2 3.35Å; N50-D144 PolarHBondContact ND2-OD2 3.28Å; N50-D144 PolarHBondContact O-N 3.16Å | ||
| 51 | M | 80.4 | Confident | 65.4 | Low | 56 Ų | 56 | 86.2 Ų | 86.2 | 28% | 0.276 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.3 | -169.9 | 63.8 | -168.1 | -113 | 0 | 0 | 112 | A49 E53 R111 D113 | A49-M51 PolarHBondContact O-N 3.33Å; M51-E53 HydrophobicContact CE-CB 3.85Å; M51-E53 WeakPolarHBondContact CE-OE2 3.42Å; M51-R111 PolarHBondContact SD-NH1 3.37Å; M51-D113 PolarHBondContact N-OD2 2.84Å |
| 52 | F | 89 | Confident | 68 | Low | 6 Ų | 6 | 76.9 Ų | 76.9 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 126.7 | 155.8 | 168.9 | -123.9 | 0 | 0 | 0 | 108.7 | A54 V80 I85 Y110 R111 L116 M118 L140 R141 A142 | F52-A54 HydrophobicContact CE2-CB 3.59Å; F52-A54 HydrophobicContact CZ-CB 3.52Å; F52-V80 HydrophobicContact CD1-CG2 4.4Å; F52-V80 HydrophobicContact CD2-CG1 3.34Å; F52-V80 HydrophobicContact CD2-CG2 4.47Å; F52-V80 HydrophobicContact CE1-CG2 4.23Å; F52-V80 HydrophobicContact CE2-CG1 3.49Å; F52-V80 VanDerWaalsContact CE2-CG1 3.49Å; F52-V80 HydrophobicContact CE2-CG2 4.28Å; F52-V80 HydrophobicContact CG-CG1 3.92Å; F52-V80 HydrophobicContact CZ-CG1 4.19Å; F52-V80 HydrophobicContact CZ-CG2 4.16Å; F52-I85 HydrophobicContact CE2-CD1 4.42Å; F52-I85 HydrophobicContact CZ-CD1 3.84Å; F52-I85 HydrophobicContact CZ-CG1 4.41Å; F52-Y110 AromaticContact CE2-CE2 3.89Å; F52-Y110 HydrophobicContact CE2-CE2 3.89Å; F52-R111 WeakPolarHBondContact CA-O 3.41Å; F52-R111 WeakPolarHBondContact CD2-O 3.44Å; F52-L116 HydrophobicContact CB-CD2 4.17Å; F52-M118 HydrophobicContact CD1-CE 4.27Å; F52-M118 HydrophobicContact CD1-SD 4.06Å; F52-M118 HydrophobicContact CE1-CE 3.86Å; F52-M118 HydrophobicContact CE1-SD 4.23Å; F52-L140 HydrophobicContact CE1-CB 3.95Å; F52-L140 HydrophobicContact CZ-CB 4.33Å; F52-R141 WeakPolarHBondContact O-CA 3.37Å; F52-A142 HydrophobicContact CB-CB 4.31Å; F52-A142 HydrophobicContact CD1-CB 4.08Å; F52-A142 PolarHBondContact N-O 3.09Å; F52-A142 PolarHBondContact O-N 2.8Å |
| 53 | E | 92.1 | Very high | 70.9 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 15% | 0.154 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 123.4 | 167.7 | 178.4 | 167.1 | -141.4 | 0 | 0 | 110 | M51 Y110 R111 T139 L140 R141 | M51-E53 HydrophobicContact CE-CB 3.85Å; M51-E53 WeakPolarHBondContact CE-OE2 3.42Å; E53-Y110 CarbonylContact O-C 3.51Å; E53-Y110 WeakPolarHBondContact O-CA 3.24Å; E53-R111 PolarHBondContact N-O 2.84Å; E53-R111 PolarHBondContact O-N 3.09Å; E53-T139 HydrophobicContact CG-CG2 3.88Å; E53-L140 WeakPolarHBondContact CA-O 3.47Å; E53-R141 HydrophobicContact CB-CG 4.36Å; E53-R141 HydrophobicContact CG-CG 4.12Å; E53-R141 IonicContact OE1-CZ 2.62Å; E53-R141 IonicContact OE1-NE 3.78Å; E53-R141 PolarHBondContact OE1-NE 3Å; E53-R141 IonicContact OE1-NH2 3.19Å; E53-R141 PolarHBondContact OE1-NH2 3.27Å |
| 54 | A | 93.3 | Very high | 73.6 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 118.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F52 F107 S109 Y110 T139 L140 | F52-A54 HydrophobicContact CE2-CB 3.59Å; F52-A54 HydrophobicContact CZ-CB 3.52Å; A54-F107 HydrophobicContact CB-CD1 3.92Å; A54-F107 HydrophobicContact CB-CE1 4Å; A54-F107 HydrophobicContact CB-CG 4.49Å; A54-S109 WeakPolarHBondContact CA-O 3.39Å; A54-Y110 HydrophobicContact CB-CD2 3.79Å; A54-Y110 HydrophobicContact CB-CE2 3.93Å; A54-T139 CarbonylContact O-C 3.55Å; A54-T139 WeakPolarHBondContact O-CA 2.94Å; A54-L140 PolarHBondContact N-O 2.83Å; A54-L140 PolarHBondContact O-N 2.04Å |
| 55 | R | 93 | Very high | 76.5 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.6 | -176.3 | -177.6 | 177.9 | 179 | 81.1 | 0.8 | 110.6 | F107 D108 S109 I137 T139 E154 | R55-F107 CarbonylContact O-C 3.59Å; R55-F107 WeakPolarHBondContact O-CA 3.11Å; R55-F107 WeakPolarHBondContact O-CB 3.38Å; R55-D108 WeakPolarHBondContact CD-OD2 3.46Å; R55-D108 HydrophobicContact CG-CB 4.35Å; R55-D108 IonicContact NE-OD2 2.68Å; R55-D108 PolarHBondContact NE-OD2 2.96Å; R55-D108 PolarHBondContact O-N 3.3Å; R55-S109 PolarHBondContact N-O 3.18Å; R55-I137 HydrophobicContact CG-CG2 4.05Å; R55-T139 HydrophobicContact CB-CG2 4.28Å; R55-T139 PolarHBondContact NH1-OG1 2.9Å; R55-E154 IonicContact CZ-OE2 3.52Å; R55-E154 VanDerWaalsContact CZ-OE2 3.24Å; R55-E154 IonicContact NH1-OE2 3.57Å; R55-E154 PolarHBondContact NH1-OE2 3.06Å; R55-E154 IonicContact NH2-OE2 2.69Å; R55-E154 PolarHBondContact NH2-OE2 3.08Å |
| 56 | L | 91.1 | Very high | 79.4 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 112.4 | -177.9 | -175.5 | 68 | 0 | 0 | 0 | 110.2 | Q58 I61 L62 G106 F107 I138 M294 | L56-Q58 PolarHBondContact O-N 2.82Å; L56-I61 HydrophobicContact CD2-CB 4.37Å; L56-L62 HydrophobicContact CD2-CB 3.93Å; L56-G106 WeakPolarHBondContact CD1-O 3.45Å; L56-F107 HydrophobicContact CB-CD1 4.05Å; L56-F107 HydrophobicContact CB-CE1 4.26Å; L56-F107 HydrophobicContact CD1-CD1 4.22Å; L56-F107 HydrophobicContact CD1-CE1 4.36Å; L56-I138 PolarHBondContact N-O 3.42Å; L56-I138 PolarHBondContact O-N 3.24Å; L56-M294 HydrophobicContact CD1-CE 3.79Å; L56-M294 HydrophobicContact CD1-SD 4.26Å |
| 57 | V | 88.6 | Confident | 81.9 | Confident | 62 Ų | 62 | 42.6 Ų | 42.6 | 38% | 0.376 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -64.5 | -41.4 | -179.1 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | G59 D108 I137 | V57-G59 PolarHBondContact O-N 2.92Å; V57-D108 HydrophobicContact CG2-CB 3.59Å; V57-I137 HydrophobicContact CG1-CG1 4.37Å |
| 58 | Q | 85 | Confident | 84.6 | Confident | 121 Ų | 121 | 38 Ų | 38 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | trans | -92 | 73.4 | 177.6 | -63.7 | -173.3 | 11.9 | 0 | 0 | 110.7 | L56 S60 I61 | L56-Q58 PolarHBondContact O-N 2.82Å; Q58-S60 PolarHBondContact O-N 2.81Å; Q58-I61 HydrophobicContact CB-CD1 3.86Å; Q58-I61 HydrophobicContact CB-CG1 4.02Å; Q58-I61 WeakPolarHBondContact O-CB 3.33Å; Q58-I61 PolarHBondContact O-N 3.37Å | ||
| 59 | G | 84.6 | Confident | 87 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.1 | -25.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V57 I61 L62 K63 D136 I138 | V57-G59 PolarHBondContact O-N 2.92Å; G59-I61 PolarHBondContact O-N 3.08Å; G59-L62 PolarHBondContact O-N 2.85Å; G59-K63 PolarHBondContact O-N 3.06Å; G59-D136 WeakPolarHBondContact CA-O 3.45Å; G59-D136 PolarHBondContact N-O 2.94Å; G59-I138 VanDerWaalsContact CA-CD1 3.48Å; G59-I138 WeakPolarHBondContact O-CD1 3.41Å |
| 60 | S | 90.1 | Very high | 88.8 | Confident | 23 Ų | 23 | 31.7 Ų | 31.7 | 16% | 0.161 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -24.5 | 171.8 | 58.7 | 0 | 0 | 0 | 0 | 114.7 | Q58 K64 N134 | Q58-S60 PolarHBondContact O-N 2.81Å; S60-K64 WeakPolarHBondContact O-CD 3.07Å; S60-K64 VanDerWaalsContact O-CG 3.23Å; S60-K64 WeakPolarHBondContact O-CG 3.11Å; S60-K64 PolarHBondContact O-N 2.69Å; S60-K64 VanDerWaalsContact O-N 3.09Å; S60-N134 VanDerWaalsContact CB-O 3.29Å; S60-N134 WeakPolarHBondContact CB-O 3.23Å; S60-N134 PolarHBondContact N-O 3.21Å; S60-N134 PolarHBondContact OG-O 3.44Å |
| 61 | I | 91.6 | Very high | 90.4 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 10% | 0.097 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -51.5 | 174.3 | -61.2 | 175.9 | 0 | 0 | 0 | 110.3 | L56 Q58 G59 K63 K64 V65 L271 I291 M294 | L56-I61 HydrophobicContact CD2-CB 4.37Å; Q58-I61 HydrophobicContact CB-CD1 3.86Å; Q58-I61 HydrophobicContact CB-CG1 4.02Å; Q58-I61 WeakPolarHBondContact O-CB 3.33Å; Q58-I61 PolarHBondContact O-N 3.37Å; G59-I61 PolarHBondContact O-N 3.08Å; I61-K63 VanDerWaalsContact C-N 3.25Å; I61-K63 PolarHBondContact O-N 2.91Å; I61-K64 WeakPolarHBondContact O-CB 3.43Å; I61-K64 PolarHBondContact O-N 2.93Å; I61-V65 HydrophobicContact CG2-CG2 4.3Å; I61-V65 WeakPolarHBondContact O-CG2 3.33Å; I61-V65 PolarHBondContact O-N 2.87Å; I61-L271 HydrophobicContact CG2-CD2 4.27Å; I61-I291 HydrophobicContact CG2-CG2 3.4Å; I61-I291 VanDerWaalsContact CG2-CG2 3.4Å; I61-M294 HydrophobicContact CD1-SD 4.01Å; I61-M294 HydrophobicContact CG2-SD 3.84Å |
| 62 | L | 90.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.1 | -37.1 | -179.1 | -166.5 | 71.4 | 0 | 0 | 0 | 111.5 | L56 G59 V65 L66 W78 M125 L129 I138 L140 | L56-L62 HydrophobicContact CD2-CB 3.93Å; G59-L62 PolarHBondContact O-N 2.85Å; L62-V65 PolarHBondContact O-N 2.87Å; L62-L66 PolarHBondContact O-N 2.75Å; L62-W78 HydrophobicContact CD1-CH2 3.74Å; L62-W78 HydrophobicContact CD1-CZ3 3.87Å; L62-M125 HydrophobicContact CD2-CE 4.27Å; L62-L129 HydrophobicContact CB-CD1 4.13Å; L62-L129 HydrophobicContact CD2-CD1 3.71Å; L62-L129 HydrophobicContact CD2-CD2 4.28Å; L62-L129 HydrophobicContact CG-CD1 3.65Å; L62-I138 HydrophobicContact CD2-CD1 4.47Å; L62-I138 HydrophobicContact CD2-CG2 4.04Å; L62-L140 HydrophobicContact CD2-CD1 4.24Å; L62-L140 HydrophobicContact CD2-CD2 4.21Å |
| 63 | K | 91.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 16% | 0.161 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 172.1 | -67.8 | 170.1 | 76.4 | 178.4 | 0 | 112 | G59 I61 E67 L129 A132 G133 N134 | G59-K63 PolarHBondContact O-N 3.06Å; I61-K63 VanDerWaalsContact C-N 3.25Å; I61-K63 PolarHBondContact O-N 2.91Å; K63-E67 WeakPolarHBondContact O-CG 3.21Å; K63-E67 PolarHBondContact O-N 2.64Å; K63-E67 VanDerWaalsContact O-N 3.12Å; K63-L129 VanDerWaalsContact CE-O 3.24Å; K63-L129 WeakPolarHBondContact CE-O 3.39Å; K63-L129 HydrophobicContact CG-CB 3.97Å; K63-L129 HydrophobicContact CG-CD1 4.3Å; K63-A132 HydrophobicContact CD-CB 4.48Å; K63-A132 PolarHBondContact NZ-O 3.36Å; K63-G133 PolarHBondContact NZ-O 3.45Å; K63-N134 PolarHBondContact NZ-OD1 3.14Å |
| 64 | K | 93.1 | Very high | 90.8 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 35% | 0.352 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 177.2 | -70 | 165 | 176.6 | -171 | 0 | 112.3 | S60 I61 E67 A68 P270 L271 | S60-K64 WeakPolarHBondContact O-CD 3.07Å; S60-K64 VanDerWaalsContact O-CG 3.23Å; S60-K64 WeakPolarHBondContact O-CG 3.11Å; S60-K64 PolarHBondContact O-N 2.69Å; S60-K64 VanDerWaalsContact O-N 3.09Å; I61-K64 WeakPolarHBondContact O-CB 3.43Å; I61-K64 PolarHBondContact O-N 2.93Å; K64-E67 PolarHBondContact O-N 2.85Å; K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 2.82Å; K64-A68 VanDerWaalsContact O-N 3.08Å; K64-P270 HydrophobicContact CD-CB 4.15Å; K64-P270 WeakPolarHBondContact CD-O 3.36Å; K64-P270 VanDerWaalsContact CE-O 3.28Å; K64-P270 WeakPolarHBondContact CE-O 3.33Å; K64-P270 HydrophobicContact CG-CB 4.16Å; K64-P270 PolarHBondContact NZ-O 2.89Å; K64-L271 HydrophobicContact CB-CD2 3.43Å; K64-L271 VanDerWaalsContact CB-CD2 3.43Å; K64-L271 HydrophobicContact CB-CG 3.96Å; K64-L271 HydrophobicContact CD-CD2 4.11Å; K64-L271 HydrophobicContact CG-CD2 4.45Å |
| 65 | V | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | I61 L62 E67 A68 L69 L100 L271 I291 I297 | I61-V65 HydrophobicContact CG2-CG2 4.3Å; I61-V65 WeakPolarHBondContact O-CG2 3.33Å; I61-V65 PolarHBondContact O-N 2.87Å; L62-V65 PolarHBondContact O-N 2.87Å; V65-E67 PolarHBondContact O-N 2.99Å; V65-A68 PolarHBondContact O-N 2.79Å; V65-A68 VanDerWaalsContact O-N 3.14Å; V65-L69 HydrophobicContact CG1-CD1 3.87Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 2.98Å; V65-L100 HydrophobicContact CG1-CD1 3.86Å; V65-L100 HydrophobicContact CG1-CD2 3.69Å; V65-L100 HydrophobicContact CG1-CG 4.44Å; V65-L100 HydrophobicContact CG2-CD1 4.49Å; V65-L271 HydrophobicContact CG2-CD1 4.21Å; V65-L271 HydrophobicContact CG2-CD2 3.8Å; V65-I291 HydrophobicContact CG2-CD1 3.83Å; V65-I297 HydrophobicContact CG1-CD1 4.32Å; V65-I297 HydrophobicContact CG2-CD1 4.48Å |
| 66 | L | 92.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 177.8 | -69.7 | -167.9 | 0 | 0 | 0 | 113.2 | L62 A68 L69 K70 W78 L122 M125 L129 | L62-L66 PolarHBondContact O-N 2.75Å; L66-A68 PolarHBondContact O-N 3.19Å; L66-L69 PolarHBondContact O-N 2.62Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L66-K70 WeakPolarHBondContact O-CB 3.45Å; L66-K70 VanDerWaalsContact O-CG 3.3Å; L66-K70 WeakPolarHBondContact O-CG 3.41Å; L66-K70 PolarHBondContact O-N 2.88Å; L66-W78 HydrophobicContact CD2-CH2 4.17Å; L66-W78 HydrophobicContact CD2-CZ2 3.63Å; L66-L122 HydrophobicContact CD2-CD2 4.15Å; L66-M125 HydrophobicContact CD1-CB 3.76Å; L66-M125 HydrophobicContact CD1-CG 3.6Å; L66-M125 HydrophobicContact CD1-SD 3.69Å; L66-M125 HydrophobicContact CD2-SD 3.89Å; L66-M125 HydrophobicContact CG-SD 4.33Å; L66-L129 HydrophobicContact CD1-CD1 3.41Å; L66-L129 VanDerWaalsContact CD1-CD1 3.41Å; L66-L129 HydrophobicContact CD1-CG 3.82Å; L66-L129 HydrophobicContact CG-CD1 4.01Å |
| 67 | E | 92.1 | Very high | 90.6 | Very high | 60 Ų | 60 | 34.9 Ų | 34.9 | 28% | 0.28 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.4 | -20.2 | 178 | -67.7 | -68.9 | 113.8 | 0 | 0 | 113 | K63 K64 V65 K70 S126 K130 | K63-E67 WeakPolarHBondContact O-CG 3.21Å; K63-E67 PolarHBondContact O-N 2.64Å; K63-E67 VanDerWaalsContact O-N 3.12Å; K64-E67 PolarHBondContact O-N 2.85Å; V65-E67 PolarHBondContact O-N 2.99Å; E67-K70 WeakPolarHBondContact O-CE 3.28Å; E67-K70 WeakPolarHBondContact OE1-CD 3.45Å; E67-K70 IonicContact OE1-NZ 3.28Å; E67-K70 WeakPolarHBondContact OE2-CE 3.48Å; E67-K70 IonicContact OE2-NZ 3.49Å; E67-K70 PolarHBondContact OE2-NZ 2.86Å; E67-S126 PolarHBondContact OE1-OG 3.01Å; E67-K130 VanDerWaalsContact OE1-CE 3.24Å; E67-K130 WeakPolarHBondContact OE1-CE 3.42Å; E67-K130 IonicContact OE1-NZ 2.71Å; E67-K130 PolarHBondContact OE1-NZ 2.87Å; E67-K130 IonicContact OE2-NZ 3.22Å |
| 68 | A | 93.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -90.3 | -8.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K64 V65 L66 K267 A268 L271 I297 Y299 | K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 2.82Å; K64-A68 VanDerWaalsContact O-N 3.08Å; V65-A68 PolarHBondContact O-N 2.79Å; V65-A68 VanDerWaalsContact O-N 3.14Å; L66-A68 PolarHBondContact O-N 3.19Å; A68-K267 HydrophobicContact CB-CB 4.4Å; A68-A268 HydrophobicContact CB-CB 4Å; A68-L271 HydrophobicContact CB-CD1 4.47Å; A68-I297 HydrophobicContact CB-CD1 4.41Å; A68-Y299 WeakPolarHBondContact CB-OH 3.38Å; A68-Y299 PolarHBondContact O-OH 2.67Å |
| 69 | L | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -110.8 | -42.9 | -179.7 | -66.5 | 178 | 0 | 0 | 0 | 113.3 | V65 L66 D71 L72 I73 L87 V98 L100 L122 | V65-L69 HydrophobicContact CG1-CD1 3.87Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 2.98Å; L66-L69 PolarHBondContact O-N 2.62Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L69-D71 PolarHBondContact O-N 3.41Å; L69-L72 PolarHBondContact O-N 3.06Å; L69-I73 HydrophobicContact CB-CD1 4.26Å; L69-I73 HydrophobicContact CB-CG1 4.27Å; L69-I73 HydrophobicContact CD2-CD1 4.39Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.37Å; L69-I73 PolarHBondContact O-N 3.3Å; L69-L87 HydrophobicContact CD1-CD1 4.37Å; L69-L87 HydrophobicContact CD1-CD2 4.37Å; L69-V98 HydrophobicContact CD2-CB 4.37Å; L69-V98 HydrophobicContact CD2-CG1 4.05Å; L69-V98 HydrophobicContact CD2-CG2 3.48Å; L69-V98 VanDerWaalsContact CD2-CG2 3.48Å; L69-L100 HydrophobicContact CD1-CD2 4.23Å; L69-L122 HydrophobicContact CB-CD1 4.09Å |
| 70 | K | 89.6 | Confident | 91.4 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 19% | 0.191 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -21.6 | -170.7 | 64.1 | 168.4 | -172.3 | 170.1 | 0 | 117.1 | L66 E67 I73 | L66-K70 WeakPolarHBondContact O-CB 3.45Å; L66-K70 VanDerWaalsContact O-CG 3.3Å; L66-K70 WeakPolarHBondContact O-CG 3.41Å; L66-K70 PolarHBondContact O-N 2.88Å; E67-K70 WeakPolarHBondContact O-CE 3.28Å; E67-K70 WeakPolarHBondContact OE1-CD 3.45Å; E67-K70 IonicContact OE1-NZ 3.28Å; E67-K70 WeakPolarHBondContact OE2-CE 3.48Å; E67-K70 IonicContact OE2-NZ 3.49Å; E67-K70 PolarHBondContact OE2-NZ 2.86Å; K70-I73 CarbonylContact C-O 3.55Å; K70-I73 WeakPolarHBondContact CA-O 3.24Å |
| 71 | D | 89.3 | Confident | 91.5 | Very high | 70 Ų | 70 | 27.3 Ų | 27.3 | 37% | 0.374 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -6.3 | -173.7 | -63.3 | -29.9 | 0 | 0 | 0 | 111.8 | L69 K267 | L69-D71 PolarHBondContact O-N 3.41Å; D71-K267 HydrophobicContact CB-CD 4.39Å; D71-K267 VanDerWaalsContact CG-NZ 3.31Å; D71-K267 WeakPolarHBondContact OD2-CD 3.26Å; D71-K267 WeakPolarHBondContact OD2-CE 3.38Å; D71-K267 IonicContact OD2-NZ 2.67Å; D71-K267 PolarHBondContact OD2-NZ 3.36Å |
| 72 | L | 89.6 | Confident | 91.4 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -37.1 | 171 | -177.2 | 68.8 | 0 | 0 | 0 | 110.5 | L69 D91 V98 Y261 F264 F265 Y299 | L69-L72 PolarHBondContact O-N 3.06Å; L72-D91 HydrophobicContact CD1-CB 3.87Å; L72-D91 HydrophobicContact CG-CB 4.29Å; L72-V98 HydrophobicContact CD2-CB 3.96Å; L72-V98 HydrophobicContact CD2-CG1 4.13Å; L72-Y261 HydrophobicContact CD1-CD1 3.84Å; L72-Y261 HydrophobicContact CD1-CE1 3.98Å; L72-F264 HydrophobicContact CD1-CD2 4.12Å; L72-F265 HydrophobicContact CD1-CE1 4.39Å; L72-F265 HydrophobicContact CD2-CE1 4.14Å; L72-Y299 HydrophobicContact CD2-CD1 3.84Å; L72-Y299 HydrophobicContact CD2-CE1 3.99Å |
| 73 | I | 91.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | trans | -135.1 | 133.9 | -176.8 | 45.4 | 166.2 | 0 | 0 | 0 | 110.5 | L69 K70 A76 L87 M90 V98 L122 | L69-I73 HydrophobicContact CB-CD1 4.26Å; L69-I73 HydrophobicContact CB-CG1 4.27Å; L69-I73 HydrophobicContact CD2-CD1 4.39Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.37Å; L69-I73 PolarHBondContact O-N 3.3Å; K70-I73 CarbonylContact C-O 3.55Å; K70-I73 WeakPolarHBondContact CA-O 3.24Å; I73-A76 HydrophobicContact CD1-CB 4.04Å; I73-L87 HydrophobicContact CD1-CD2 4.09Å; I73-M90 WeakPolarHBondContact CG2-O 2.83Å; I73-V98 HydrophobicContact CD1-CG1 3.67Å; I73-V98 HydrophobicContact CG1-CG1 4.3Å; I73-L122 HydrophobicContact CD1-CD1 3.64Å; I73-L122 HydrophobicContact CG1-CD1 3.72Å | ||
| 74 | T | 89.3 | Confident | 91.5 | Very high | 95 Ų | 95 | 32.3 Ų | 32.3 | 58% | 0.583 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -84.3 | -40.8 | -177.9 | 45.6 | 0 | 0 | 0 | 0 | 112.6 | L122 | T74-L122 PolarHBondContact O-N 3.34Š|
| 75 | E | 90.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 28.6 Ų | 28.6 | 36% | 0.355 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138 | -170.2 | -51.9 | -170 | 147.2 | 0 | 0 | 107.4 | V120 N121 M169 L171 | E75-V120 WeakPolarHBondContact CA-O 3.31Å; E75-N121 HydrophobicContact CG-CB 4.27Å; E75-N121 PolarHBondContact OE1-ND2 3.14Å; E75-M169 HydrophobicContact CB-SD 4.07Å; E75-M169 HydrophobicContact CG-SD 4.18Å; E75-M169 WeakPolarHBondContact OE1-CE 3.38Å; E75-L171 HydrophobicContact CB-CD1 4.35Å |
| 76 | A | 91.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 153.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I73 L87 V120 L122 | I73-A76 HydrophobicContact CD1-CB 4.04Å; A76-L87 HydrophobicContact CB-CD1 3.6Å; A76-L87 HydrophobicContact CB-CG 4.1Å; A76-V120 PolarHBondContact N-O 2.95Å; A76-V120 VanDerWaalsContact N-O 3.11Å; A76-V120 PolarHBondContact O-N 3.15Å; A76-L122 HydrophobicContact CB-CD1 4.29Å |
| 77 | C | 91.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 140.2 | 170.7 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | L87 M118 V173 | C77-L87 WeakPolarHBondContact O-CB 3.46Å; C77-L87 WeakPolarHBondContact O-CG 3.39Å; C77-M118 CarbonylContact C-O 3.59Å; C77-M118 WeakPolarHBondContact CA-O 3.35Å; C77-M118 PolarHBondContact SG-N 2.99Å; C77-V173 HydrophobicContact CB-CG1 4.41Å; C77-V173 HydrophobicContact CB-CG2 3.35Å |
| 78 | W | 92 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 101.3 | 168.2 | -70.9 | 53.5 | 0 | 0 | 0 | 106.9 | L62 L66 V80 I85 L87 L100 M118 V120 L122 M125 | L62-W78 HydrophobicContact CD1-CH2 3.74Å; L62-W78 HydrophobicContact CD1-CZ3 3.87Å; L66-W78 HydrophobicContact CD2-CH2 4.17Å; L66-W78 HydrophobicContact CD2-CZ2 3.63Å; W78-V80 PolarHBondContact O-N 2.8Å; W78-I85 HydrophobicContact CB-CG2 4.41Å; W78-I85 HydrophobicContact CE3-CG2 3.75Å; W78-I85 HydrophobicContact CZ3-CG2 4.38Å; W78-L87 HydrophobicContact CG-CD1 4.47Å; W78-L100 HydrophobicContact CH2-CD2 4.31Å; W78-M118 HydrophobicContact CB-CB 4.3Å; W78-M118 HydrophobicContact CB-CE 3.98Å; W78-M118 PolarHBondContact N-O 2.87Å; W78-M118 PolarHBondContact O-N 2.95Å; W78-V120 HydrophobicContact CG-CG2 4.43Å; W78-L122 HydrophobicContact CZ2-CD2 4.49Å; W78-M125 HydrophobicContact CH2-CE 4.48Å; W78-M125 HydrophobicContact CZ2-SD 4.23Å |
| 79 | D | 91.8 | Very high | 91.5 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 106.2 | 177.4 | -69.9 | -41.2 | 0 | 0 | 0 | 109.1 | S86 Q175 | D79-S86 PolarHBondContact N-O 2.92Å; D79-S86 PolarHBondContact O-N 3Å; D79-S86 PolarHBondContact O-OG 2.78Å; D79-Q175 PolarHBondContact OD2-NE2 3.25Å |
| 80 | V | 92.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.1 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | F52 W78 Y110 C112 N115 L116 M118 | F52-V80 HydrophobicContact CD1-CG2 4.4Å; F52-V80 HydrophobicContact CD2-CG1 3.34Å; F52-V80 HydrophobicContact CD2-CG2 4.47Å; F52-V80 HydrophobicContact CE1-CG2 4.23Å; F52-V80 HydrophobicContact CE2-CG1 3.49Å; F52-V80 VanDerWaalsContact CE2-CG1 3.49Å; F52-V80 HydrophobicContact CE2-CG2 4.28Å; F52-V80 HydrophobicContact CG-CG1 3.92Å; F52-V80 HydrophobicContact CZ-CG1 4.19Å; F52-V80 HydrophobicContact CZ-CG2 4.16Å; W78-V80 PolarHBondContact O-N 2.8Å; V80-Y110 WeakPolarHBondContact CG1-OH 3.32Å; V80-C112 HydrophobicContact CG1-CB 4.13Å; V80-N115 CarbonylContact O-C 3.57Å; V80-N115 WeakPolarHBondContact O-CA 3.42Å; V80-L116 HydrophobicContact CB-CB 4.23Å; V80-L116 WeakPolarHBondContact CB-O 3.47Å; V80-L116 PolarHBondContact N-O 2.75Å; V80-L116 PolarHBondContact O-N 2.88Å; V80-M118 HydrophobicContact CG2-CE 3.62Å; V80-M118 HydrophobicContact CG2-SD 4.37Å |
| 81 | S | 92.1 | Very high | 91.4 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 169.5 | 178.2 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | S83 G84 Y110 C112 | S81-S83 PolarHBondContact O-N 3.19Å; S81-S83 PolarHBondContact OG-N 3.45Å; S81-S83 PolarHBondContact OG-OG 2.71Å; S81-G84 PolarHBondContact N-O 2.89Å; S81-G84 PolarHBondContact O-N 2.84Å; S81-G84 VanDerWaalsContact O-O 3.12Å; S81-G84 PolarHBondContact OG-O 2.85Å; S81-G84 VanDerWaalsContact OG-O 3.1Å; S81-Y110 WeakPolarHBondContact O-CE1 3.36Å; S81-Y110 PolarHBondContact O-OH 2.92Å; S81-C112 VanDerWaalsContact CA-SG 3.59Å |
| 82 | S | 90.4 | Very high | 91.3 | Very high | 91 Ų | 91 | 33.5 Ų | 33.5 | 64% | 0.636 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.3 | 173.6 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | H104 | S82-H104 PolarHBondContact O-CD2 3.03Å; S82-H104 VanDerWaalsContact O-CD2 3.26Å |
| 83 | S | 91.1 | Very high | 91.3 | Very high | 73 Ų | 73 | 36.1 Ų | 36.1 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -19.7 | 175.1 | 74.1 | 0 | 0 | 0 | 0 | 114.2 | S81 H104 | S81-S83 PolarHBondContact O-N 3.19Å; S81-S83 PolarHBondContact OG-N 3.45Å; S81-S83 PolarHBondContact OG-OG 2.71Å; S83-H104 PolarHBondContact O-CD2 3.33Å; S83-H104 VanDerWaalsContact O-CD2 3.3Å; S83-H104 PolarHBondContact O-N 3.34Å |
| 84 | G | 92.8 | Very high | 91 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -163.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S81 L102 Y110 | S81-G84 PolarHBondContact N-O 2.89Å; S81-G84 PolarHBondContact O-N 2.84Å; S81-G84 VanDerWaalsContact O-O 3.12Å; S81-G84 PolarHBondContact OG-O 2.85Å; S81-G84 VanDerWaalsContact OG-O 3.1Å; G84-L102 CarbonylContact C-O 3.56Å; G84-L102 VanDerWaalsContact CA-O 3.29Å; G84-L102 WeakPolarHBondContact CA-O 3.38Å; G84-Y110 VanDerWaalsContact C-OH 3.22Å; G84-Y110 WeakPolarHBondContact CA-OH 3.47Å; G84-Y110 PolarHBondContact O-OH 2.82Å |
| 85 | I | 93.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.3 | -178.7 | -48.9 | 176.9 | 0 | 0 | 0 | 109.2 | F52 W78 L102 F107 Y110 | F52-I85 HydrophobicContact CE2-CD1 4.42Å; F52-I85 HydrophobicContact CZ-CD1 3.84Å; F52-I85 HydrophobicContact CZ-CG1 4.41Å; W78-I85 HydrophobicContact CB-CG2 4.41Å; W78-I85 HydrophobicContact CE3-CG2 3.75Å; W78-I85 HydrophobicContact CZ3-CG2 4.38Å; I85-L102 HydrophobicContact CB-CB 4.39Å; I85-L102 PolarHBondContact N-O 3.18Å; I85-L102 PolarHBondContact O-N 3.3Å; I85-F107 HydrophobicContact CD1-CE1 4.43Å; I85-F107 HydrophobicContact CD1-CZ 3.83Å; I85-F107 HydrophobicContact CG1-CZ 4.4Å; I85-Y110 HydrophobicContact CD1-CE2 4.43Å; I85-Y110 HydrophobicContact CG1-CE2 4Å |
| 86 | S | 93.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 37 Ų | 37 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 155.4 | 169.3 | 43 | 0 | 0 | 0 | 0 | 111.3 | D79 L100 | D79-S86 PolarHBondContact N-O 2.92Å; D79-S86 PolarHBondContact O-N 3Å; D79-S86 PolarHBondContact O-OG 2.78Å; S86-L100 CarbonylContact C-O 3.56Å; S86-L100 VanDerWaalsContact CA-O 3.29Å; S86-L100 WeakPolarHBondContact CA-O 3.19Å |
| 87 | L | 93.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 136.5 | 166.5 | 161.9 | 161 | 0 | 0 | 0 | 107.9 | L69 I73 A76 C77 W78 V98 Q99 L100 | L69-L87 HydrophobicContact CD1-CD1 4.37Å; L69-L87 HydrophobicContact CD1-CD2 4.37Å; I73-L87 HydrophobicContact CD1-CD2 4.09Å; A76-L87 HydrophobicContact CB-CD1 3.6Å; A76-L87 HydrophobicContact CB-CG 4.1Å; C77-L87 WeakPolarHBondContact O-CB 3.46Å; C77-L87 WeakPolarHBondContact O-CG 3.39Å; W78-L87 HydrophobicContact CG-CD1 4.47Å; L87-V98 HydrophobicContact CD2-CG1 4.33Å; L87-Q99 WeakPolarHBondContact O-CA 3.49Å; L87-L100 HydrophobicContact CB-CB 4.16Å; L87-L100 HydrophobicContact CB-CD2 4.33Å; L87-L100 HydrophobicContact CD2-CB 4.27Å; L87-L100 PolarHBondContact N-O 2.86Å; L87-L100 PolarHBondContact O-N 3.2Å |
| 88 | Q | 92.2 | Very high | 91.4 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.2 | 171.9 | -169.1 | -178.3 | 39.7 | 0 | 0 | 108.6 | L97 V98 L176 | Q88-L97 HydrophobicContact CG-CD1 4.15Å; Q88-L97 HydrophobicContact CG-CD2 4.16Å; Q88-L97 HydrophobicContact CG-CG 4.34Å; Q88-V98 WeakPolarHBondContact CA-O 3.26Å; Q88-L176 PolarHBondContact NE2-O 3.14Å; Q88-L176 PolarHBondContact OE1-O 3.21Å |
| 89 | S | 91.4 | Very high | 91.5 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 149.1 | 179 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | L97 V98 | S89-L97 WeakPolarHBondContact O-CA 3.39Å; S89-V98 PolarHBondContact N-O 3.07Å; S89-V98 VanDerWaalsContact N-O 3.09Å; S89-V98 PolarHBondContact O-N 3.15Å |
| 90 | M | 91.3 | Very high | 91.6 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 29% | 0.291 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 152.9 | 171 | -72.2 | 179.8 | -80.4 | 0 | 0 | 110.6 | I73 H94 S96 L97 L176 | I73-M90 WeakPolarHBondContact CG2-O 2.83Å; M90-H94 HydrophobicContact SD-CB 4.4Å; M90-H94 PolarHBondContact SD-ND1 3.37Å; M90-H94 VanDerWaalsContact SD-ND1 3.39Å; M90-S96 CarbonylContact C-O 3.54Å; M90-S96 WeakPolarHBondContact CA-O 3.24Å; M90-L97 HydrophobicContact CG-CB 4.29Å; M90-L97 HydrophobicContact CG-CD1 4.19Å; M90-L97 HydrophobicContact CG-CG 4.47Å; M90-L176 HydrophobicContact CE-CD1 3.75Å; M90-L176 HydrophobicContact CG-CD1 4.3Å; M90-L176 HydrophobicContact SD-CD1 3.78Å |
| 91 | D | 90.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | trans | -69.3 | 164.6 | 167.7 | 90.6 | -74.2 | 0 | 0 | 0 | 111.5 | L72 S93 H94 V95 S96 Y261 | L72-D91 HydrophobicContact CD1-CB 3.87Å; L72-D91 HydrophobicContact CG-CB 4.29Å; D91-S93 PolarHBondContact O-N 2.79Å; D91-S93 VanDerWaalsContact OD2-CB 3.24Å; D91-S93 WeakPolarHBondContact OD2-CB 3.33Å; D91-S93 PolarHBondContact OD2-N 3.41Å; D91-S93 PolarHBondContact OD2-OG 2.86Å; D91-H94 PolarHBondContact O-N 3.44Å; D91-H94 PolarHBondContact OD1-N 2.78Å; D91-V95 PolarHBondContact OD1-N 3.11Å; D91-S96 PolarHBondContact N-O 2.86Å; D91-S96 PolarHBondContact OD1-N 3.22Å; D91-Y261 HydrophobicContact CB-CE1 4.17Å; D91-Y261 WeakPolarHBondContact OD2-CE1 3.47Å; D91-Y261 PolarHBondContact OD2-OH 3.26Å | ||
| 92 | S | 86.6 | Confident | 91.9 | Very high | 118 Ų | 118 | 39.7 Ų | 39.7 | 83% | 0.825 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -10 | -178.3 | 54.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 93 | S | 88.6 | Confident | 92 | Very high | 71 Ų | 71 | 40.2 Ų | 40.2 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -5.2 | 173.8 | -42.1 | 0 | 0 | 0 | 0 | 113.3 | D91 V95 Y261 | D91-S93 PolarHBondContact O-N 2.79Å; D91-S93 VanDerWaalsContact OD2-CB 3.24Å; D91-S93 WeakPolarHBondContact OD2-CB 3.33Å; D91-S93 PolarHBondContact OD2-N 3.41Å; D91-S93 PolarHBondContact OD2-OG 2.86Å; S93-V95 PolarHBondContact O-N 3Å; S93-Y261 WeakPolarHBondContact CB-OH 3.45Å; S93-Y261 PolarHBondContact OG-OH 2.61Å |
| 94 | H | 86.6 | Confident | 92.1 | Very high | 135 Ų | 135 | 40.2 Ų | 40.2 | 63% | 0.625 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 55.2 | 28.9 | -172.6 | -57.1 | -93.1 | 0 | 0 | 0 | 114.5 | M90 D91 | M90-H94 HydrophobicContact SD-CB 4.4Å; M90-H94 PolarHBondContact SD-ND1 3.37Å; M90-H94 VanDerWaalsContact SD-ND1 3.39Å; D91-H94 PolarHBondContact O-N 3.44Å; D91-H94 PolarHBondContact OD1-N 2.78Å |
| 95 | V | 89.6 | Confident | 91.9 | Very high | 59 Ų | 59 | 45.8 Ų | 45.8 | 36% | 0.358 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -98 | -23.6 | 178.5 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | D91 S93 Y261 L301 A302 | D91-V95 PolarHBondContact OD1-N 3.11Å; S93-V95 PolarHBondContact O-N 3Å; V95-Y261 HydrophobicContact CB-CE2 4.46Å; V95-Y261 HydrophobicContact CG1-CE2 4.24Å; V95-L301 HydrophobicContact CG1-CD1 4.06Å; V95-A302 HydrophobicContact CG1-CB 4.49Å; V95-A302 PolarHBondContact O-N 3.39Å |
| 96 | S | 92.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.1 | 177.7 | -173.4 | 0 | 0 | 0 | 0 | 112 | M90 D91 F265 Y300 | M90-S96 CarbonylContact C-O 3.54Å; M90-S96 WeakPolarHBondContact CA-O 3.24Å; D91-S96 PolarHBondContact N-O 2.86Å; D91-S96 PolarHBondContact OD1-N 3.22Å; S96-F265 WeakPolarHBondContact OG-CE1 3.34Å; S96-F265 VanDerWaalsContact OG-CZ 3.29Å; S96-F265 WeakPolarHBondContact OG-CZ 2.88Å; S96-Y300 WeakPolarHBondContact CA-O 3.43Å; S96-Y300 WeakPolarHBondContact CB-O 3.21Å; S96-Y300 PolarHBondContact OG-O 2.96Å |
| 97 | L | 92.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 46 Ų | 46 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.2 | 170.5 | 178.3 | 150.8 | 0 | 0 | 0 | 109 | Q88 S89 M90 Q99 L176 I178 Y300 | Q88-L97 HydrophobicContact CG-CD1 4.15Å; Q88-L97 HydrophobicContact CG-CD2 4.16Å; Q88-L97 HydrophobicContact CG-CG 4.34Å; S89-L97 WeakPolarHBondContact O-CA 3.39Å; M90-L97 HydrophobicContact CG-CB 4.29Å; M90-L97 HydrophobicContact CG-CD1 4.19Å; M90-L97 HydrophobicContact CG-CG 4.47Å; L97-Q99 HydrophobicContact CD2-CB 4.39Å; L97-L176 HydrophobicContact CD1-CB 4.32Å; L97-L176 HydrophobicContact CD1-CD1 3.67Å; L97-I178 HydrophobicContact CD2-CD1 3.9Å; L97-Y300 HydrophobicContact CD2-CD2 3.57Å; L97-Y300 HydrophobicContact CD2-CE2 4.03Å; L97-Y300 HydrophobicContact CD2-CG 4.28Å; L97-Y300 PolarHBondContact N-O 3.33Å; L97-Y300 VanDerWaalsContact N-O 3.09Å; L97-Y300 PolarHBondContact O-N 2.94Å |
| 98 | V | 94.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.3 | 171.2 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | L69 L72 I73 L87 Q88 S89 I297 Y299 | L69-V98 HydrophobicContact CD2-CB 4.37Å; L69-V98 HydrophobicContact CD2-CG1 4.05Å; L69-V98 HydrophobicContact CD2-CG2 3.48Å; L69-V98 VanDerWaalsContact CD2-CG2 3.48Å; L72-V98 HydrophobicContact CD2-CB 3.96Å; L72-V98 HydrophobicContact CD2-CG1 4.13Å; I73-V98 HydrophobicContact CD1-CG1 3.67Å; I73-V98 HydrophobicContact CG1-CG1 4.3Å; L87-V98 HydrophobicContact CD2-CG1 4.33Å; Q88-V98 WeakPolarHBondContact CA-O 3.26Å; S89-V98 PolarHBondContact N-O 3.07Å; S89-V98 VanDerWaalsContact N-O 3.09Å; S89-V98 PolarHBondContact O-N 3.15Å; V98-I297 HydrophobicContact CG2-CG2 3.66Å; V98-Y299 HydrophobicContact CB-CD1 3.96Å; V98-Y299 HydrophobicContact CB-CE1 4.27Å; V98-Y299 HydrophobicContact CG2-CD1 3.56Å; V98-Y299 HydrophobicContact CG2-CE1 3.57Å; V98-Y299 HydrophobicContact CG2-CG 4.36Å |
| 99 | Q | 93.9 | Very high | 91.3 | Very high | 47 Ų | 47 | 52 Ų | 52 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120 | 175.3 | -173.8 | -174.4 | 38.9 | 0 | 0 | 109 | L87 L97 I297 K298 Y300 | L87-Q99 WeakPolarHBondContact O-CA 3.49Å; L97-Q99 HydrophobicContact CD2-CB 4.39Å; Q99-I297 CarbonylContact O-C 3.59Å; Q99-I297 WeakPolarHBondContact O-CA 3.34Å; Q99-K298 HydrophobicContact CB-CB 4.43Å; Q99-K298 PolarHBondContact N-O 3.04Å; Q99-K298 PolarHBondContact O-N 3.46Å; Q99-Y300 HydrophobicContact CB-CE2 4.13Å; Q99-Y300 PolarHBondContact OE1-OH 3.09Å |
| 100 | L | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.6 | 170.7 | 168.4 | 71.2 | 0 | 0 | 0 | 108.5 | V65 L69 W78 S86 L87 L102 I291 I297 | V65-L100 HydrophobicContact CG1-CD1 3.86Å; V65-L100 HydrophobicContact CG1-CD2 3.69Å; V65-L100 HydrophobicContact CG1-CG 4.44Å; V65-L100 HydrophobicContact CG2-CD1 4.49Å; L69-L100 HydrophobicContact CD1-CD2 4.23Å; W78-L100 HydrophobicContact CH2-CD2 4.31Å; S86-L100 CarbonylContact C-O 3.56Å; S86-L100 VanDerWaalsContact CA-O 3.29Å; S86-L100 WeakPolarHBondContact CA-O 3.19Å; L87-L100 HydrophobicContact CB-CB 4.16Å; L87-L100 HydrophobicContact CB-CD2 4.33Å; L87-L100 HydrophobicContact CD2-CB 4.27Å; L87-L100 PolarHBondContact N-O 2.86Å; L87-L100 PolarHBondContact O-N 3.2Å; L100-L102 HydrophobicContact CD1-CD1 4.44Å; L100-L102 HydrophobicContact CD1-CD2 3.98Å; L100-L102 HydrophobicContact CD1-CG 3.96Å; L100-L102 HydrophobicContact CD2-CD1 4.31Å; L100-L102 HydrophobicContact CD2-CG 4.49Å; L100-L102 HydrophobicContact CG-CG 4.22Å; L100-I291 HydrophobicContact CD1-CD1 3.66Å; L100-I297 HydrophobicContact CD1-CD1 4.34Å; L100-I297 HydrophobicContact CD1-CG1 3.87Å |
| 101 | T | 94.7 | Very high | 91.3 | Very high | 39 Ų | 39 | 55 Ų | 55 | 24% | 0.239 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.8 | 171.8 | -53.7 | 0 | 0 | 0 | 0 | 109.6 | G295 H296 | T101-G295 CarbonylContact O-C 3.58Å; T101-G295 WeakPolarHBondContact O-CA 3.47Å; T101-H296 PolarHBondContact N-O 3.26Å; T101-H296 PolarHBondContact O-N 3.21Å; T101-H296 PolarHBondContact OG1-NE2 3.02Å |
| 102 | L | 94.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 104 | 175.8 | -59.7 | 177.1 | 0 | 0 | 0 | 109.5 | G84 I85 L100 F107 I291 M294 | G84-L102 CarbonylContact C-O 3.56Å; G84-L102 VanDerWaalsContact CA-O 3.29Å; G84-L102 WeakPolarHBondContact CA-O 3.38Å; I85-L102 HydrophobicContact CB-CB 4.39Å; I85-L102 PolarHBondContact N-O 3.18Å; I85-L102 PolarHBondContact O-N 3.3Å; L100-L102 HydrophobicContact CD1-CD1 4.44Å; L100-L102 HydrophobicContact CD1-CD2 3.98Å; L100-L102 HydrophobicContact CD1-CG 3.96Å; L100-L102 HydrophobicContact CD2-CD1 4.31Å; L100-L102 HydrophobicContact CD2-CG 4.49Å; L100-L102 HydrophobicContact CG-CG 4.22Å; L102-F107 HydrophobicContact CB-CE2 4.2Å; L102-F107 HydrophobicContact CB-CZ 4.23Å; L102-F107 HydrophobicContact CD1-CZ 4.41Å; L102-I291 HydrophobicContact CD2-CD1 3.59Å; L102-M294 HydrophobicContact CB-CE 4.3Å; L102-M294 HydrophobicContact CD2-CE 3.96Å; L102-M294 HydrophobicContact CD2-CG 4.14Å; L102-M294 HydrophobicContact CD2-SD 4.07Å |
| 103 | R | 93.9 | Very high | 91.3 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 151.7 | -179.8 | -65.4 | -177.4 | -73.5 | -98.2 | 3.9 | 112 | D105 G106 F107 D293 M294 | R103-D105 PolarHBondContact O-N 3.26Å; R103-G106 PolarHBondContact O-N 3.42Å; R103-G106 VanDerWaalsContact O-N 3.09Å; R103-F107 WeakPolarHBondContact O-CD2 3.34Å; R103-F107 WeakPolarHBondContact O-CE2 3.37Å; R103-D293 PolarHBondContact NH2-O 3.04Å; R103-M294 WeakPolarHBondContact CB-O 3.44Å; R103-M294 PolarHBondContact N-O 3.02Å |
| 104 | H | 91.8 | Very high | 91.2 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -54.2 | -34 | 173.8 | 58.8 | 64.6 | 0 | 0 | 0 | 113.3 | S82 S83 G106 F107 Y110 | S82-H104 PolarHBondContact O-CD2 3.03Å; S82-H104 VanDerWaalsContact O-CD2 3.26Å; S83-H104 PolarHBondContact O-CD2 3.33Å; S83-H104 VanDerWaalsContact O-CD2 3.3Å; S83-H104 PolarHBondContact O-N 3.34Å; H104-G106 PolarHBondContact O-N 3.01Å; H104-G106 VanDerWaalsContact O-N 3.08Å; H104-F107 PolarHBondContact O-N 3.01Å; H104-Y110 HydrophobicContact CB-CD1 3.62Å; H104-Y110 HydrophobicContact CB-CD2 4.46Å; H104-Y110 HydrophobicContact CB-CE1 4.19Å; H104-Y110 HydrophobicContact CB-CG 3.79Å |
| 105 | D | 90.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 56.2 Ų | 56.2 | 64% | 0.642 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -63.5 | -14.6 | -179.8 | -58.9 | -44.3 | 0 | 0 | 0 | 114.1 | R103 F107 | R103-D105 PolarHBondContact O-N 3.26Å; D105-F107 VanDerWaalsContact C-N 3.29Å |
| 106 | G | 87.1 | Confident | 91.2 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -80.6 | -3.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L56 R103 H104 M294 | L56-G106 WeakPolarHBondContact CD1-O 3.45Å; R103-G106 PolarHBondContact O-N 3.42Å; R103-G106 VanDerWaalsContact O-N 3.09Å; H104-G106 PolarHBondContact O-N 3.01Å; H104-G106 VanDerWaalsContact O-N 3.08Å; G106-M294 VanDerWaalsContact CA-CB 3.46Å |
| 107 | F | 90.7 | Very high | 91.1 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -115.8 | 142.9 | -175 | -59.8 | -91 | 0 | 0 | 0 | 110.6 | A54 R55 L56 I85 L102 R103 H104 D105 S109 Y110 M294 | A54-F107 HydrophobicContact CB-CD1 3.92Å; A54-F107 HydrophobicContact CB-CE1 4Å; A54-F107 HydrophobicContact CB-CG 4.49Å; R55-F107 CarbonylContact O-C 3.59Å; R55-F107 WeakPolarHBondContact O-CA 3.11Å; R55-F107 WeakPolarHBondContact O-CB 3.38Å; L56-F107 HydrophobicContact CB-CD1 4.05Å; L56-F107 HydrophobicContact CB-CE1 4.26Å; L56-F107 HydrophobicContact CD1-CD1 4.22Å; L56-F107 HydrophobicContact CD1-CE1 4.36Å; I85-F107 HydrophobicContact CD1-CE1 4.43Å; I85-F107 HydrophobicContact CD1-CZ 3.83Å; I85-F107 HydrophobicContact CG1-CZ 4.4Å; L102-F107 HydrophobicContact CB-CE2 4.2Å; L102-F107 HydrophobicContact CB-CZ 4.23Å; L102-F107 HydrophobicContact CD1-CZ 4.41Å; R103-F107 WeakPolarHBondContact O-CD2 3.34Å; R103-F107 WeakPolarHBondContact O-CE2 3.37Å; H104-F107 PolarHBondContact O-N 3.01Å; D105-F107 VanDerWaalsContact C-N 3.29Å; F107-S109 VanDerWaalsContact C-N 3.33Å; F107-Y110 HydrophobicContact CB-CD2 4.28Å; F107-Y110 AromaticContact CD2-CD2 3.7Å; F107-Y110 HydrophobicContact CD2-CD2 3.7Å; F107-Y110 HydrophobicContact CD2-CE2 4.24Å; F107-Y110 HydrophobicContact CE2-CD2 4.14Å; F107-Y110 HydrophobicContact CE2-CE2 4.23Å; F107-Y110 AromaticContact CG-CD2 3.97Å; F107-Y110 HydrophobicContact CG-CD2 3.97Å; F107-M294 HydrophobicContact CD2-CE 4.44Å; F107-M294 HydrophobicContact CE1-CE 4.3Å; F107-M294 HydrophobicContact CE2-CE 3.97Å; F107-M294 HydrophobicContact CZ-CE 3.89Å |
| 108 | D | 90.6 | Very high | 91 | Very high | 107 Ų | 107 | 56.7 Ų | 56.7 | 57% | 0.572 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -72.3 | -29.4 | 179.1 | 169.5 | 63.7 | 0 | 0 | 0 | 112 | R55 V57 | R55-D108 WeakPolarHBondContact CD-OD2 3.46Å; R55-D108 HydrophobicContact CG-CB 4.35Å; R55-D108 IonicContact NE-OD2 2.68Å; R55-D108 PolarHBondContact NE-OD2 2.96Å; R55-D108 PolarHBondContact O-N 3.3Å; V57-D108 HydrophobicContact CG2-CB 3.59Å |
| 109 | S | 89.5 | Confident | 90.9 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 130.4 | 164.3 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | A54 R55 F107 | A54-S109 WeakPolarHBondContact CA-O 3.39Å; R55-S109 PolarHBondContact N-O 3.18Å; F107-S109 VanDerWaalsContact C-N 3.33Å |
| 110 | Y | 92.7 | Very high | 90.8 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.7 | 174.5 | -166.7 | -92.3 | 0 | 0 | 0 | 109.8 | F52 E53 A54 V80 S81 G84 I85 H104 F107 C112 | F52-Y110 AromaticContact CE2-CE2 3.89Å; F52-Y110 HydrophobicContact CE2-CE2 3.89Å; E53-Y110 CarbonylContact O-C 3.51Å; E53-Y110 WeakPolarHBondContact O-CA 3.24Å; A54-Y110 HydrophobicContact CB-CD2 3.79Å; A54-Y110 HydrophobicContact CB-CE2 3.93Å; V80-Y110 WeakPolarHBondContact CG1-OH 3.32Å; S81-Y110 WeakPolarHBondContact O-CE1 3.36Å; S81-Y110 PolarHBondContact O-OH 2.92Å; G84-Y110 VanDerWaalsContact C-OH 3.22Å; G84-Y110 WeakPolarHBondContact CA-OH 3.47Å; G84-Y110 PolarHBondContact O-OH 2.82Å; I85-Y110 HydrophobicContact CD1-CE2 4.43Å; I85-Y110 HydrophobicContact CG1-CE2 4Å; H104-Y110 HydrophobicContact CB-CD1 3.62Å; H104-Y110 HydrophobicContact CB-CD2 4.46Å; H104-Y110 HydrophobicContact CB-CE1 4.19Å; H104-Y110 HydrophobicContact CB-CG 3.79Å; F107-Y110 HydrophobicContact CB-CD2 4.28Å; F107-Y110 AromaticContact CD2-CD2 3.7Å; F107-Y110 HydrophobicContact CD2-CD2 3.7Å; F107-Y110 HydrophobicContact CD2-CE2 4.24Å; F107-Y110 HydrophobicContact CE2-CD2 4.14Å; F107-Y110 HydrophobicContact CE2-CE2 4.23Å; F107-Y110 AromaticContact CG-CD2 3.97Å; F107-Y110 HydrophobicContact CG-CD2 3.97Å; Y110-C112 HydrophobicContact CE1-CB 3.8Å |
| 111 | R | 90.9 | Very high | 90.7 | Very high | 102 Ų | 102 | 56.2 Ų | 56.2 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.5 | 173.4 | -177.3 | 173.2 | 170.5 | -159.8 | -12.4 | 109.4 | M51 F52 E53 D113 | M51-R111 PolarHBondContact SD-NH1 3.37Å; F52-R111 WeakPolarHBondContact CA-O 3.41Å; F52-R111 WeakPolarHBondContact CD2-O 3.44Å; E53-R111 PolarHBondContact N-O 2.84Å; E53-R111 PolarHBondContact O-N 3.09Å; R111-D113 IonicContact CZ-OD1 2.7Å; R111-D113 IonicContact CZ-OD2 3.35Å; R111-D113 VanDerWaalsContact CZ-OD2 3.28Å; R111-D113 IonicContact NE-OD1 4Å; R111-D113 PolarHBondContact NE-OD1 3.04Å; R111-D113 IonicContact NE-OD2 3.15Å; R111-D113 PolarHBondContact NE-OD2 3.16Å; R111-D113 IonicContact NH2-OD1 2.75Å; R111-D113 PolarHBondContact NH2-OD1 3.03Å; R111-D113 IonicContact NH2-OD2 2.78Å; R111-D113 PolarHBondContact NH2-OD2 2.88Å |
| 112 | C | 89.8 | Confident | 90.5 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 99.8 | 174.4 | 166.1 | 0 | 0 | 0 | 0 | 105.8 | V80 S81 Y110 R114 | V80-C112 HydrophobicContact CG1-CB 4.13Å; S81-C112 VanDerWaalsContact CA-SG 3.59Å; Y110-C112 HydrophobicContact CE1-CB 3.8Å; C112-R114 VanDerWaalsContact C-N 3.32Å; C112-R114 VanDerWaalsContact SG-C 3.56Å; C112-R114 PolarHBondContact SG-O 3.4Å |
| 113 | D | 86.4 | Confident | 90.3 | Very high | 64 Ų | 64 | 56.5 Ų | 56.5 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -75.7 | -25 | -179.2 | -65.6 | -29.5 | 0 | 0 | 0 | 112.2 | N50 M51 R111 | N50-D113 VanDerWaalsContact CA-OD2 3.26Å; N50-D113 WeakPolarHBondContact CA-OD2 3.18Å; N50-D113 HydrophobicContact CB-CB 3.92Å; M51-D113 PolarHBondContact N-OD2 2.84Å; R111-D113 IonicContact CZ-OD1 2.7Å; R111-D113 IonicContact CZ-OD2 3.35Å; R111-D113 VanDerWaalsContact CZ-OD2 3.28Å; R111-D113 IonicContact NE-OD1 4Å; R111-D113 PolarHBondContact NE-OD1 3.04Å; R111-D113 IonicContact NE-OD2 3.15Å; R111-D113 PolarHBondContact NE-OD2 3.16Å; R111-D113 IonicContact NH2-OD1 2.75Å; R111-D113 PolarHBondContact NH2-OD1 3.03Å; R111-D113 IonicContact NH2-OD2 2.78Å; R111-D113 PolarHBondContact NH2-OD2 2.88Å |
| 114 | R | 86.8 | Confident | 90.2 | Very high | 148 Ų | 148 | 53.9 Ų | 53.9 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -147.8 | 152.9 | 174.3 | -66.6 | -169.7 | 177.9 | 153.3 | 3.5 | 109.9 | N50 C112 L116 D144 | N50-R114 VanDerWaalsContact ND2-CZ 3.33Å; C112-R114 VanDerWaalsContact C-N 3.32Å; C112-R114 VanDerWaalsContact SG-C 3.56Å; C112-R114 PolarHBondContact SG-O 3.4Å; R114-L116 PolarHBondContact O-N 2.91Å; R114-D144 WeakPolarHBondContact CD-OD2 3.44Å; R114-D144 IonicContact CZ-OD2 3.24Å; R114-D144 VanDerWaalsContact CZ-OD2 3.24Å; R114-D144 IonicContact NE-OD2 3.55Å; R114-D144 IonicContact NH1-OD2 2.67Å; R114-D144 PolarHBondContact NH1-OD2 3.14Å |
| 115 | N | 88.6 | Confident | 90.2 | Very high | 124 Ų | 124 | 50.4 Ų | 50.4 | 66% | 0.663 | 28% | 0.276 | S | S | * | . | trans | -61 | 132.4 | 169.5 | -67.2 | 8.4 | 0 | 0 | 0 | 109.5 | V80 | V80-N115 CarbonylContact O-C 3.57Å; V80-N115 WeakPolarHBondContact O-CA 3.42Å | ||
| 116 | L | 88.9 | Confident | 90.3 | Very high | 25 Ų | 25 | 45 Ų | 45 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 126.6 | -175.7 | 175.6 | 67.5 | 0 | 0 | 0 | 109.2 | F52 V80 R114 M118 A142 | F52-L116 HydrophobicContact CB-CD2 4.17Å; V80-L116 HydrophobicContact CB-CB 4.23Å; V80-L116 WeakPolarHBondContact CB-O 3.47Å; V80-L116 PolarHBondContact N-O 2.75Å; V80-L116 PolarHBondContact O-N 2.88Å; R114-L116 PolarHBondContact O-N 2.91Å; L116-M118 HydrophobicContact CD2-CG 3.74Å; L116-M118 HydrophobicContact CD2-SD 3.91Å; L116-M118 HydrophobicContact CG-CG 3.79Å; L116-A142 HydrophobicContact CD2-CB 3.77Å |
| 117 | A | 89.4 | Confident | 90.5 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 55% | 0.554 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 118 | M | 90.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 103.8 | 179.6 | -57.4 | -175.5 | -55.3 | 0 | 0 | 110.4 | F52 C77 W78 V80 L116 V120 A142 L149 L168 | F52-M118 HydrophobicContact CD1-CE 4.27Å; F52-M118 HydrophobicContact CD1-SD 4.06Å; F52-M118 HydrophobicContact CE1-CE 3.86Å; F52-M118 HydrophobicContact CE1-SD 4.23Å; C77-M118 CarbonylContact C-O 3.59Å; C77-M118 WeakPolarHBondContact CA-O 3.35Å; C77-M118 PolarHBondContact SG-N 2.99Å; W78-M118 HydrophobicContact CB-CB 4.3Å; W78-M118 HydrophobicContact CB-CE 3.98Å; W78-M118 PolarHBondContact N-O 2.87Å; W78-M118 PolarHBondContact O-N 2.95Å; V80-M118 HydrophobicContact CG2-CE 3.62Å; V80-M118 HydrophobicContact CG2-SD 4.37Å; L116-M118 HydrophobicContact CD2-CG 3.74Å; L116-M118 HydrophobicContact CD2-SD 3.91Å; L116-M118 HydrophobicContact CG-CG 3.79Å; M118-V120 HydrophobicContact CB-CG2 4.35Å; M118-V120 PolarHBondContact O-N 2.83Å; M118-A142 HydrophobicContact SD-CB 3.95Å; M118-L149 HydrophobicContact SD-CD1 4.07Å; M118-L168 HydrophobicContact CB-CD1 3.88Å; M118-L168 HydrophobicContact CB-CD2 4.04Å; M118-L168 HydrophobicContact CG-CD1 3.88Å; M118-L168 HydrophobicContact SD-CD1 4.34Å |
| 119 | G | 92.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 46 Ų | 46 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 121.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L168 M169 | G119-L168 WeakPolarHBondContact O-CA 3.28Å; G119-L168 WeakPolarHBondContact O-CD2 3.29Å; G119-M169 VanDerWaalsContact C-CG 3.47Å; G119-M169 VanDerWaalsContact CA-O 3.24Å; G119-M169 WeakPolarHBondContact CA-O 3.4Å; G119-M169 WeakPolarHBondContact O-CG 3.4Å; G119-M169 PolarHBondContact O-N 2.81Å |
| 120 | V | 92 | Very high | 90.7 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.4 | -171.3 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | E75 A76 W78 M118 L122 M125 M166 L168 | E75-V120 WeakPolarHBondContact CA-O 3.31Å; A76-V120 PolarHBondContact N-O 2.95Å; A76-V120 VanDerWaalsContact N-O 3.11Å; A76-V120 PolarHBondContact O-N 3.15Å; W78-V120 HydrophobicContact CG-CG2 4.43Å; M118-V120 HydrophobicContact CB-CG2 4.35Å; M118-V120 PolarHBondContact O-N 2.83Å; V120-L122 HydrophobicContact CB-CD2 4.45Å; V120-L122 HydrophobicContact CG1-CD2 4.17Å; V120-L122 PolarHBondContact O-N 2.78Å; V120-M125 HydrophobicContact CG1-CB 3.85Å; V120-M125 HydrophobicContact CG1-CG 4.22Å; V120-M125 HydrophobicContact CG1-SD 3.79Å; V120-M166 HydrophobicContact CG1-CE 3.84Å; V120-L168 HydrophobicContact CG2-CD2 3.61Å |
| 121 | N | 92.3 | Very high | 90.5 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 105.1 | 165.6 | 179.6 | -81.3 | 0 | 0 | 0 | 109.9 | E75 S123 S124 M125 M169 | E75-N121 HydrophobicContact CG-CB 4.27Å; E75-N121 PolarHBondContact OE1-ND2 3.14Å; N121-S123 VanDerWaalsContact C-N 3.29Å; N121-S123 PolarHBondContact O-N 2.79Å; N121-S124 WeakPolarHBondContact O-CB 3.35Å; N121-S124 PolarHBondContact O-N 3.19Å; N121-S124 VanDerWaalsContact OD1-CB 3.3Å; N121-S124 WeakPolarHBondContact OD1-CB 3.31Å; N121-S124 PolarHBondContact OD1-N 3.49Å; N121-S124 PolarHBondContact OD1-OG 3.26Å; N121-M125 PolarHBondContact O-N 2.86Å; N121-M169 HydrophobicContact CB-CE 4.07Å; N121-M169 HydrophobicContact CB-SD 4.25Å |
| 122 | L | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -31.8 | -170.9 | -55.5 | -177.5 | 0 | 0 | 0 | 112.3 | L66 L69 I73 T74 A76 W78 V120 S124 M125 S126 | L66-L122 HydrophobicContact CD2-CD2 4.15Å; L69-L122 HydrophobicContact CB-CD1 4.09Å; I73-L122 HydrophobicContact CD1-CD1 3.64Å; I73-L122 HydrophobicContact CG1-CD1 3.72Å; T74-L122 PolarHBondContact O-N 3.34Å; A76-L122 HydrophobicContact CB-CD1 4.29Å; W78-L122 HydrophobicContact CZ2-CD2 4.49Å; V120-L122 HydrophobicContact CB-CD2 4.45Å; V120-L122 HydrophobicContact CG1-CD2 4.17Å; V120-L122 PolarHBondContact O-N 2.78Å; L122-S124 VanDerWaalsContact C-N 3.25Å; L122-S124 PolarHBondContact O-N 3.28Å; L122-M125 PolarHBondContact O-N 3.4Å; L122-S126 VanDerWaalsContact O-CB 3.24Å; L122-S126 WeakPolarHBondContact O-CB 3.44Å; L122-S126 PolarHBondContact O-N 2.9Å |
| 123 | S | 90.4 | Very high | 90.4 | Very high | 50 Ų | 50 | 45.3 Ų | 45.3 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -30.1 | 172.1 | -88.9 | 0 | 0 | 0 | 0 | 113.4 | N121 K127 | N121-S123 VanDerWaalsContact C-N 3.29Å; N121-S123 PolarHBondContact O-N 2.79Å; S123-K127 WeakPolarHBondContact O-CD 3.42Å; S123-K127 WeakPolarHBondContact O-CE 3.49Å; S123-K127 VanDerWaalsContact O-CG 3.31Å; S123-K127 WeakPolarHBondContact O-CG 3.35Å |
| 124 | S | 91.8 | Very high | 90.3 | Very high | 46 Ų | 46 | 47 Ų | 47 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -84.3 | -43.2 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | N121 L122 S126 K127 I128 | N121-S124 WeakPolarHBondContact O-CB 3.35Å; N121-S124 PolarHBondContact O-N 3.19Å; N121-S124 VanDerWaalsContact OD1-CB 3.3Å; N121-S124 WeakPolarHBondContact OD1-CB 3.31Å; N121-S124 PolarHBondContact OD1-N 3.49Å; N121-S124 PolarHBondContact OD1-OG 3.26Å; L122-S124 VanDerWaalsContact C-N 3.25Å; L122-S124 PolarHBondContact O-N 3.28Å; S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.4Å; S124-K127 WeakPolarHBondContact O-CB 3.41Å; S124-K127 PolarHBondContact O-N 3.32Å; S124-K127 VanDerWaalsContact O-N 3.14Å; S124-I128 PolarHBondContact O-N 3.31Å |
| 125 | M | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 175 | -161 | -169.1 | -175.9 | 0 | 0 | 111.7 | L62 L66 W78 V120 N121 L122 K127 I128 L129 L140 L149 L151 M166 | L62-M125 HydrophobicContact CD2-CE 4.27Å; L66-M125 HydrophobicContact CD1-CB 3.76Å; L66-M125 HydrophobicContact CD1-CG 3.6Å; L66-M125 HydrophobicContact CD1-SD 3.69Å; L66-M125 HydrophobicContact CD2-SD 3.89Å; L66-M125 HydrophobicContact CG-SD 4.33Å; W78-M125 HydrophobicContact CH2-CE 4.48Å; W78-M125 HydrophobicContact CZ2-SD 4.23Å; V120-M125 HydrophobicContact CG1-CB 3.85Å; V120-M125 HydrophobicContact CG1-CG 4.22Å; V120-M125 HydrophobicContact CG1-SD 3.79Å; N121-M125 PolarHBondContact O-N 2.86Å; L122-M125 PolarHBondContact O-N 3.4Å; M125-K127 VanDerWaalsContact C-N 3.31Å; M125-K127 PolarHBondContact O-N 2.99Å; M125-I128 PolarHBondContact O-N 3.16Å; M125-I128 VanDerWaalsContact O-N 3.15Å; M125-L129 WeakPolarHBondContact O-CG 3.47Å; M125-L129 PolarHBondContact O-N 2.91Å; M125-L140 HydrophobicContact CE-CD2 4.25Å; M125-L149 HydrophobicContact CE-CD2 4.31Å; M125-L151 HydrophobicContact CE-CD2 4.05Å; M125-L151 HydrophobicContact CG-CD2 4.39Å; M125-M166 HydrophobicContact CB-CE 4.17Å; M125-M166 HydrophobicContact CB-SD 3.98Å; M125-M166 HydrophobicContact CG-SD 3.95Å |
| 126 | S | 91.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.5 | -37.9 | 174 | 167.3 | 0 | 0 | 0 | 0 | 112.9 | E67 L122 S124 K130 | E67-S126 PolarHBondContact OE1-OG 3.01Å; L122-S126 VanDerWaalsContact O-CB 3.24Å; L122-S126 WeakPolarHBondContact O-CB 3.44Å; L122-S126 PolarHBondContact O-N 2.9Å; S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.4Å; S126-K130 WeakPolarHBondContact O-CD 3.33Å; S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.26Å; S126-K130 PolarHBondContact O-N 3.14Å; S126-K130 PolarHBondContact OG-NZ 3.1Å |
| 127 | K | 91.8 | Very high | 90.6 | Very high | 141 Ų | 141 | 40.5 Ų | 40.5 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66.6 | -39.9 | 176.1 | -68.7 | 163.1 | -169.1 | 165.1 | 0 | 111.5 | S123 S124 M125 K130 | S123-K127 WeakPolarHBondContact O-CD 3.42Å; S123-K127 WeakPolarHBondContact O-CE 3.49Å; S123-K127 VanDerWaalsContact O-CG 3.31Å; S123-K127 WeakPolarHBondContact O-CG 3.35Å; S124-K127 WeakPolarHBondContact O-CB 3.41Å; S124-K127 PolarHBondContact O-N 3.32Å; S124-K127 VanDerWaalsContact O-N 3.14Å; M125-K127 VanDerWaalsContact C-N 3.31Å; M125-K127 PolarHBondContact O-N 2.99Å; K127-K130 PolarHBondContact O-N 3.3Å |
| 128 | I | 92.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.9 | -45.1 | 178.9 | -62.1 | 169.5 | 0 | 0 | 0 | 110.5 | S124 M125 K130 C131 L151 F153 Y164 M166 | S124-I128 PolarHBondContact O-N 3.31Å; M125-I128 PolarHBondContact O-N 3.16Å; M125-I128 VanDerWaalsContact O-N 3.15Å; I128-K130 PolarHBondContact O-N 2.96Å; I128-K130 VanDerWaalsContact O-N 3.12Å; I128-C131 WeakPolarHBondContact O-CB 3.33Å; I128-C131 PolarHBondContact O-N 3.07Å; I128-L151 HydrophobicContact CG2-CD2 4.48Å; I128-F153 HydrophobicContact CG2-CE2 4.28Å; I128-F153 HydrophobicContact CG2-CZ 4.01Å; I128-F153 WeakPolarHBondContact O-CE2 3.41Å; I128-Y164 HydrophobicContact CG2-CD1 4.17Å; I128-Y164 HydrophobicContact CG2-CD2 4.33Å; I128-Y164 HydrophobicContact CG2-CG 3.79Å; I128-M166 HydrophobicContact CD1-CB 3.68Å; I128-M166 HydrophobicContact CD1-CG 4.28Å; I128-M166 HydrophobicContact CD1-SD 4.03Å |
| 129 | L | 90.9 | Very high | 91 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -16.5 | 177 | -62.7 | -158.6 | 0 | 0 | 0 | 113.8 | L62 K63 L66 M125 C131 A132 I138 L151 F153 | L62-L129 HydrophobicContact CB-CD1 4.13Å; L62-L129 HydrophobicContact CD2-CD1 3.71Å; L62-L129 HydrophobicContact CD2-CD2 4.28Å; L62-L129 HydrophobicContact CG-CD1 3.65Å; K63-L129 VanDerWaalsContact CE-O 3.24Å; K63-L129 WeakPolarHBondContact CE-O 3.39Å; K63-L129 HydrophobicContact CG-CB 3.97Å; K63-L129 HydrophobicContact CG-CD1 4.3Å; L66-L129 HydrophobicContact CD1-CD1 3.41Å; L66-L129 VanDerWaalsContact CD1-CD1 3.41Å; L66-L129 HydrophobicContact CD1-CG 3.82Å; L66-L129 HydrophobicContact CG-CD1 4.01Å; M125-L129 WeakPolarHBondContact O-CG 3.47Å; M125-L129 PolarHBondContact O-N 2.91Å; L129-C131 VanDerWaalsContact C-N 3.26Å; L129-C131 PolarHBondContact O-N 2.89Å; L129-A132 PolarHBondContact O-N 3.15Å; L129-I138 HydrophobicContact CD2-CD1 4.3Å; L129-L151 HydrophobicContact CD2-CD2 3.54Å; L129-F153 HydrophobicContact CD2-CE1 3.84Å; L129-F153 HydrophobicContact CD2-CZ 3.74Å |
| 130 | K | 90.6 | Very high | 91 | Very high | 114 Ų | 114 | 37.3 Ų | 37.3 | 50% | 0.496 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.9 | 171.2 | -78.5 | 161.8 | -177 | 153.6 | 0 | 113.6 | E67 S126 K127 I128 | E67-K130 VanDerWaalsContact OE1-CE 3.24Å; E67-K130 WeakPolarHBondContact OE1-CE 3.42Å; E67-K130 IonicContact OE1-NZ 2.71Å; E67-K130 PolarHBondContact OE1-NZ 2.87Å; E67-K130 IonicContact OE2-NZ 3.22Å; S126-K130 WeakPolarHBondContact O-CD 3.33Å; S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.26Å; S126-K130 PolarHBondContact O-N 3.14Å; S126-K130 PolarHBondContact OG-NZ 3.1Å; K127-K130 PolarHBondContact O-N 3.3Å; I128-K130 PolarHBondContact O-N 2.96Å; I128-K130 VanDerWaalsContact O-N 3.12Å |
| 131 | C | 89.3 | Confident | 91 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -16.8 | 171 | -61.3 | 0 | 0 | 0 | 0 | 113.5 | I128 L129 F153 Y164 | I128-C131 WeakPolarHBondContact O-CB 3.33Å; I128-C131 PolarHBondContact O-N 3.07Å; L129-C131 VanDerWaalsContact C-N 3.26Å; L129-C131 PolarHBondContact O-N 2.89Å; C131-F153 HydrophobicContact CB-CE2 4.32Å; C131-Y164 HydrophobicContact CB-CE1 4.33Å; C131-Y164 HydrophobicContact CB-CE2 4.04Å; C131-Y164 WeakPolarHBondContact CB-OH 3.23Å |
| 132 | A | 89.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -77.3 | 146.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K63 L129 D136 I138 F153 | K63-A132 HydrophobicContact CD-CB 4.48Å; K63-A132 PolarHBondContact NZ-O 3.36Å; L129-A132 PolarHBondContact O-N 3.15Å; A132-D136 HydrophobicContact CB-CB 4.5Å; A132-I138 HydrophobicContact CB-CD1 4.3Å; A132-F153 HydrophobicContact CB-CB 4.44Å; A132-F153 HydrophobicContact CB-CD1 4.06Å; A132-F153 HydrophobicContact CB-CD2 3.68Å; A132-F153 HydrophobicContact CB-CE1 4.21Å; A132-F153 HydrophobicContact CB-CE2 3.86Å; A132-F153 HydrophobicContact CB-CG 3.8Å; A132-F153 HydrophobicContact CB-CZ 4.11Å |
| 133 | G | 87 | Confident | 90.7 | Very high | 28 Ų | 28 | 46 Ų | 46 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | trans | -61.9 | -176.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K63 D136 | K63-G133 PolarHBondContact NZ-O 3.45Å; G133-D136 PolarHBondContact N-OD2 3.25Å | ||
| 134 | N | 86 | Confident | 90 | Very high | 99 Ų | 99 | 45.5 Ų | 45.5 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -89.9 | -30.5 | 172.7 | -67.6 | -14.1 | 0 | 0 | 0 | 111.8 | S60 K63 | S60-N134 VanDerWaalsContact CB-O 3.29Å; S60-N134 WeakPolarHBondContact CB-O 3.23Å; S60-N134 PolarHBondContact N-O 3.21Å; S60-N134 PolarHBondContact OG-O 3.44Å; K63-N134 PolarHBondContact NZ-OD1 3.14Å |
| 135 | E | 87.5 | Confident | 89 | Confident | 132 Ų | 132 | 50.7 Ų | 50.7 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -100.6 | 9.1 | 176.8 | -39.6 | -48.1 | 121.7 | 0 | 0 | 112.5 | L156 | E135-L156 HydrophobicContact CB-CD1 4.09Å; E135-L156 WeakPolarHBondContact O-CG 3.26Å |
| 136 | D | 90.3 | Very high | 87.9 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.064 | 26% | 0.264 | C | S | . | . | trans | -76.7 | 136.1 | 172.9 | -77.6 | -10.5 | 0 | 0 | 0 | 109.6 | G59 A132 G133 T155 K160 | G59-D136 WeakPolarHBondContact CA-O 3.45Å; G59-D136 PolarHBondContact N-O 2.94Å; A132-D136 HydrophobicContact CB-CB 4.5Å; G133-D136 PolarHBondContact N-OD2 3.25Å; D136-T155 VanDerWaalsContact OD1-CA 3.24Å; D136-T155 WeakPolarHBondContact OD1-CA 3.3Å; D136-T155 VanDerWaalsContact OD1-CB 3.32Å; D136-T155 WeakPolarHBondContact OD1-CB 3.24Å; D136-T155 PolarHBondContact OD1-OG1 3.18Å; D136-K160 IonicContact OD2-NZ 2.94Å | ||
| 137 | I | 92.6 | Very high | 87.6 | Confident | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.8 | 170.7 | -56.8 | 175.8 | 0 | 0 | 0 | 107.9 | R55 V57 F153 E154 L156 | R55-I137 HydrophobicContact CG-CG2 4.05Å; V57-I137 HydrophobicContact CG1-CG1 4.37Å; I137-F153 WeakPolarHBondContact O-CA 3.07Å; I137-E154 HydrophobicContact CB-CB 4.35Å; I137-E154 PolarHBondContact N-O 2.81Å; I137-E154 PolarHBondContact O-N 2.91Å; I137-L156 HydrophobicContact CD1-CD2 4.22Å; I137-L156 HydrophobicContact CG1-CD2 4.28Å |
| 138 | I | 93.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.3 | 177 | -61 | 178.6 | 0 | 0 | 0 | 109.1 | L56 G59 L62 L129 A132 L140 F153 | L56-I138 PolarHBondContact N-O 3.42Å; L56-I138 PolarHBondContact O-N 3.24Å; G59-I138 VanDerWaalsContact CA-CD1 3.48Å; G59-I138 WeakPolarHBondContact O-CD1 3.41Å; L62-I138 HydrophobicContact CD2-CD1 4.47Å; L62-I138 HydrophobicContact CD2-CG2 4.04Å; L129-I138 HydrophobicContact CD2-CD1 4.3Å; A132-I138 HydrophobicContact CB-CD1 4.3Å; I138-L140 HydrophobicContact CG2-CD2 4.15Å; I138-F153 HydrophobicContact CB-CD1 4.29Å; I138-F153 HydrophobicContact CD1-CD1 4.4Å; I138-F153 HydrophobicContact CD1-CE1 4.2Å; I138-F153 HydrophobicContact CG1-CD1 3.76Å; I138-F153 HydrophobicContact CG1-CE1 4.02Å; I138-F153 HydrophobicContact CG2-CD1 4.07Å; I138-F153 HydrophobicContact CG2-CE1 3.9Å |
| 139 | T | 93.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.3 | 170.4 | -47.5 | 0 | 0 | 0 | 0 | 109.4 | E53 A54 R55 R141 V152 | E53-T139 HydrophobicContact CG-CG2 3.88Å; A54-T139 CarbonylContact O-C 3.55Å; A54-T139 WeakPolarHBondContact O-CA 2.94Å; R55-T139 HydrophobicContact CB-CG2 4.28Å; R55-T139 PolarHBondContact NH1-OG1 2.9Å; T139-R141 HydrophobicContact CG2-CG 4.21Å; T139-V152 PolarHBondContact N-O 2.98Å; T139-V152 PolarHBondContact O-N 3.1Å |
| 140 | L | 93.3 | Very high | 87.4 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 135.5 | 171 | -57.8 | 179.7 | 0 | 0 | 0 | 108.9 | F52 E53 A54 L62 M125 I138 L149 L151 | F52-L140 HydrophobicContact CE1-CB 3.95Å; F52-L140 HydrophobicContact CZ-CB 4.33Å; E53-L140 WeakPolarHBondContact CA-O 3.47Å; A54-L140 PolarHBondContact N-O 2.83Å; A54-L140 PolarHBondContact O-N 2.04Å; L62-L140 HydrophobicContact CD2-CD1 4.24Å; L62-L140 HydrophobicContact CD2-CD2 4.21Å; M125-L140 HydrophobicContact CE-CD2 4.25Å; I138-L140 HydrophobicContact CG2-CD2 4.15Å; L140-L149 HydrophobicContact CB-CD1 4.37Å; L140-L151 HydrophobicContact CD2-CB 4.49Å; L140-L151 HydrophobicContact CD2-CD2 3.73Å; L140-L151 HydrophobicContact CD2-CG 3.82Å |
| 141 | R | 91.6 | Very high | 87.6 | Confident | 102 Ų | 102 | 47.9 Ų | 47.9 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 133.1 | 177.8 | -69.7 | -179.9 | 178.2 | 142.4 | 2.5 | 112 | F52 E53 T139 A150 | F52-R141 WeakPolarHBondContact O-CA 3.37Å; E53-R141 HydrophobicContact CB-CG 4.36Å; E53-R141 HydrophobicContact CG-CG 4.12Å; E53-R141 IonicContact OE1-CZ 2.62Å; E53-R141 IonicContact OE1-NE 3.78Å; E53-R141 PolarHBondContact OE1-NE 3Å; E53-R141 IonicContact OE1-NH2 3.19Å; E53-R141 PolarHBondContact OE1-NH2 3.27Å; T139-R141 HydrophobicContact CG2-CG 4.21Å; R141-A150 HydrophobicContact CB-CB 4.28Å; R141-A150 PolarHBondContact N-O 2.6Å; R141-A150 PolarHBondContact O-N 2.82Å |
| 142 | A | 90.7 | Very high | 87.7 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 153.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | F52 L116 M118 A146 L149 | F52-A142 HydrophobicContact CB-CB 4.31Å; F52-A142 HydrophobicContact CD1-CB 4.08Å; F52-A142 PolarHBondContact N-O 3.09Å; F52-A142 PolarHBondContact O-N 2.8Å; L116-A142 HydrophobicContact CD2-CB 3.77Å; M118-A142 HydrophobicContact SD-CB 3.95Å; A142-A146 HydrophobicContact CB-CB 3.87Å; A142-L149 HydrophobicContact CB-CD1 4.39Å |
| 143 | E | 87.5 | Confident | 87.9 | Confident | 108 Ų | 108 | 45.1 Ų | 45.1 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 163.7 | 172.2 | -58.9 | -168.7 | 178.9 | 0 | 0 | 110.9 | N145 A146 | E143-N145 PolarHBondContact O-N 3.01Å; E143-N145 VanDerWaalsContact O-N 3.08Å; E143-A146 WeakPolarHBondContact O-CB 3.32Å; E143-A146 PolarHBondContact O-N 2.92Å |
| 144 | D | 74.8 | Confident | 88.1 | Confident | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -37.1 | 179.7 | -104.6 | 14.2 | 0 | 0 | 0 | 114.3 | N50 R114 | N50-D144 HydrophobicContact CB-CB 4.39Å; N50-D144 WeakPolarHBondContact CB-OD1 3.47Å; N50-D144 WeakPolarHBondContact CB-OD2 3.35Å; N50-D144 PolarHBondContact ND2-OD2 3.28Å; N50-D144 PolarHBondContact O-N 3.16Å; R114-D144 WeakPolarHBondContact CD-OD2 3.44Å; R114-D144 IonicContact CZ-OD2 3.24Å; R114-D144 VanDerWaalsContact CZ-OD2 3.24Å; R114-D144 IonicContact NE-OD2 3.55Å; R114-D144 IonicContact NH1-OD2 2.67Å; R114-D144 PolarHBondContact NH1-OD2 3.14Å |
| 145 | N | 71 | Confident | 88.3 | Confident | 154 Ų | 154 | 42.9 Ų | 42.9 | 82% | 0.824 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | 63.1 | 177.4 | -71.1 | 16 | 0 | 0 | 0 | 109.3 | E143 D147 | E143-N145 PolarHBondContact O-N 3.01Å; E143-N145 VanDerWaalsContact O-N 3.08Å; N145-D147 PolarHBondContact O-N 2.99Å |
| 146 | A | 68.6 | Low | 88 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | trans | -74.7 | 107.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A142 E143 T148 L168 | A142-A146 HydrophobicContact CB-CB 3.87Å; E143-A146 WeakPolarHBondContact O-CB 3.32Å; E143-A146 PolarHBondContact O-N 2.92Å; A146-T148 PolarHBondContact O-N 2.76Å; A146-L168 HydrophobicContact CB-CD1 3.86Å; A146-L168 WeakPolarHBondContact O-CD1 3.45Å | ||
| 147 | D | 85.3 | Confident | 87.6 | Confident | 139 Ų | 139 | 46.4 Ų | 46.4 | 74% | 0.743 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -66.1 | -23.2 | 157.8 | -73.5 | -23.7 | 0 | 0 | 0 | 111.6 | N145 K167 L168 | N145-D147 PolarHBondContact O-N 2.99Å; D147-K167 WeakPolarHBondContact O-CA 3.29Å; D147-L168 PolarHBondContact O-N 2.88Å |
| 148 | T | 89 | Confident | 86.9 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 143 | -174.2 | 59 | 0 | 0 | 0 | 0 | 113.6 | A146 E165 M166 K167 | A146-T148 PolarHBondContact O-N 2.76Å; T148-E165 VanDerWaalsContact CB-OE1 3.23Å; T148-E165 WeakPolarHBondContact CB-OE1 3.34Å; T148-E165 HydrophobicContact CG2-CG 4.03Å; T148-E165 WeakPolarHBondContact CG2-OE1 3.48Å; T148-E165 PolarHBondContact OG1-OE1 2.74Å; T148-M166 CarbonylContact C-O 3.6Å; T148-M166 WeakPolarHBondContact CA-O 3.34Å; T148-M166 WeakPolarHBondContact CB-O 3.47Å; T148-K167 HydrophobicContact CG2-CG 4.2Å |
| 149 | L | 91.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.2 | 169 | 171.9 | 65.2 | 0 | 0 | 0 | 108.7 | M118 M125 L140 A142 L151 M166 L168 | M118-L149 HydrophobicContact SD-CD1 4.07Å; M125-L149 HydrophobicContact CE-CD2 4.31Å; L140-L149 HydrophobicContact CB-CD1 4.37Å; A142-L149 HydrophobicContact CB-CD1 4.39Å; L149-L151 HydrophobicContact CD2-CD1 4.23Å; L149-L151 HydrophobicContact CG-CD1 3.99Å; L149-L151 HydrophobicContact CG-CG 4.38Å; L149-M166 HydrophobicContact CB-CG 4.12Å; L149-M166 HydrophobicContact CD2-SD 4.43Å; L149-M166 PolarHBondContact N-O 3.05Å; L149-M166 PolarHBondContact O-N 3.33Å; L149-L168 HydrophobicContact CB-CD1 4.38Å; L149-L168 HydrophobicContact CB-CD2 3.83Å; L149-L168 HydrophobicContact CB-CG 4.12Å |
| 150 | A | 92.7 | Very high | 86.1 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R141 Y164 | R141-A150 HydrophobicContact CB-CB 4.28Å; R141-A150 PolarHBondContact N-O 2.6Å; R141-A150 PolarHBondContact O-N 2.82Å; A150-Y164 CarbonylContact C-O 3.58Å; A150-Y164 WeakPolarHBondContact CA-O 3.3Å |
| 151 | L | 93 | Very high | 85.9 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 109.8 | 176.4 | -59 | 94.2 | 0 | 0 | 0 | 108.3 | M125 I128 L129 L140 L149 F153 Y164 M166 | M125-L151 HydrophobicContact CE-CD2 4.05Å; M125-L151 HydrophobicContact CG-CD2 4.39Å; I128-L151 HydrophobicContact CG2-CD2 4.48Å; L129-L151 HydrophobicContact CD2-CD2 3.54Å; L140-L151 HydrophobicContact CD2-CB 4.49Å; L140-L151 HydrophobicContact CD2-CD2 3.73Å; L140-L151 HydrophobicContact CD2-CG 3.82Å; L149-L151 HydrophobicContact CD2-CD1 4.23Å; L149-L151 HydrophobicContact CG-CD1 3.99Å; L149-L151 HydrophobicContact CG-CG 4.38Å; L151-F153 HydrophobicContact CB-CE1 3.93Å; L151-F153 HydrophobicContact CB-CZ 4.18Å; L151-Y164 PolarHBondContact N-O 3.09Å; L151-Y164 PolarHBondContact O-N 3.04Å; L151-M166 HydrophobicContact CD1-CG 3.88Å; L151-M166 HydrophobicContact CD1-SD 4.06Å |
| 152 | V | 93.1 | Very high | 86 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.8 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | T139 E154 V161 D163 | T139-V152 PolarHBondContact N-O 2.98Å; T139-V152 PolarHBondContact O-N 3.1Å; V152-E154 HydrophobicContact CG1-CG 4.25Å; V152-V161 HydrophobicContact CG1-CG1 3.76Å; V152-D163 WeakPolarHBondContact CG2-OD1 3.5Å |
| 153 | F | 93.6 | Very high | 86 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.009 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.2 | 174.9 | -51 | -32 | 0 | 0 | 0 | 110 | I128 L129 C131 A132 I137 I138 L151 V161 S162 Y164 | I128-F153 HydrophobicContact CG2-CE2 4.28Å; I128-F153 HydrophobicContact CG2-CZ 4.01Å; I128-F153 WeakPolarHBondContact O-CE2 3.41Å; L129-F153 HydrophobicContact CD2-CE1 3.84Å; L129-F153 HydrophobicContact CD2-CZ 3.74Å; C131-F153 HydrophobicContact CB-CE2 4.32Å; A132-F153 HydrophobicContact CB-CB 4.44Å; A132-F153 HydrophobicContact CB-CD1 4.06Å; A132-F153 HydrophobicContact CB-CD2 3.68Å; A132-F153 HydrophobicContact CB-CE1 4.21Å; A132-F153 HydrophobicContact CB-CE2 3.86Å; A132-F153 HydrophobicContact CB-CG 3.8Å; A132-F153 HydrophobicContact CB-CZ 4.11Å; I137-F153 WeakPolarHBondContact O-CA 3.07Å; I138-F153 HydrophobicContact CB-CD1 4.29Å; I138-F153 HydrophobicContact CD1-CD1 4.4Å; I138-F153 HydrophobicContact CD1-CE1 4.2Å; I138-F153 HydrophobicContact CG1-CD1 3.76Å; I138-F153 HydrophobicContact CG1-CE1 4.02Å; I138-F153 HydrophobicContact CG2-CD1 4.07Å; I138-F153 HydrophobicContact CG2-CE1 3.9Å; L151-F153 HydrophobicContact CB-CE1 3.93Å; L151-F153 HydrophobicContact CB-CZ 4.18Å; F153-V161 CarbonylContact O-C 3.54Å; F153-V161 WeakPolarHBondContact O-CA 3.25Å; F153-S162 PolarHBondContact N-O 3.35Å; F153-S162 PolarHBondContact O-N 3.41Å; F153-Y164 AromaticContact CD2-CD2 3.64Å; F153-Y164 HydrophobicContact CD2-CD2 3.64Å; F153-Y164 AromaticContact CD2-CE2 3.54Å; F153-Y164 HydrophobicContact CD2-CE2 3.54Å; F153-Y164 AromaticContact CE2-CD2 3.43Å; F153-Y164 HydrophobicContact CE2-CD2 3.43Å; F153-Y164 VanDerWaalsContact CE2-CD2 3.43Å; F153-Y164 AromaticContact CE2-CE2 3.58Å; F153-Y164 HydrophobicContact CE2-CE2 3.58Å; F153-Y164 HydrophobicContact CE2-CG 4.38Å; F153-Y164 HydrophobicContact CZ-CD2 4.23Å |
| 154 | E | 91.6 | Very high | 86.3 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123 | 177.8 | -56.2 | -177.5 | 142.9 | 0 | 0 | 109.9 | R55 I137 V152 V161 | R55-E154 IonicContact CZ-OE2 3.52Å; R55-E154 VanDerWaalsContact CZ-OE2 3.24Å; R55-E154 IonicContact NH1-OE2 3.57Å; R55-E154 PolarHBondContact NH1-OE2 3.06Å; R55-E154 IonicContact NH2-OE2 2.69Å; R55-E154 PolarHBondContact NH2-OE2 3.08Å; I137-E154 HydrophobicContact CB-CB 4.35Å; I137-E154 PolarHBondContact N-O 2.81Å; I137-E154 PolarHBondContact O-N 2.91Å; V152-E154 HydrophobicContact CG1-CG 4.25Å; E154-V161 HydrophobicContact CG-CG1 4.43Å; E154-V161 HydrophobicContact CG-CG2 4.35Å |
| 155 | T | 88.8 | Confident | 87.1 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | trans | -73.4 | 145 | 170.5 | -58.6 | 0 | 0 | 0 | 0 | 110 | D136 N157 Q158 K160 | D136-T155 VanDerWaalsContact OD1-CA 3.24Å; D136-T155 WeakPolarHBondContact OD1-CA 3.3Å; D136-T155 VanDerWaalsContact OD1-CB 3.32Å; D136-T155 WeakPolarHBondContact OD1-CB 3.24Å; D136-T155 PolarHBondContact OD1-OG1 3.18Å; T155-N157 PolarHBondContact O-N 2.81Å; T155-Q158 WeakPolarHBondContact O-CA 3.28Å; T155-Q158 PolarHBondContact O-N 2.95Å; T155-K160 PolarHBondContact N-O 2.85Å | ||
| 156 | L | 82.3 | Confident | 88.1 | Confident | 102 Ų | 102 | 66.4 Ų | 66.4 | 53% | 0.534 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -35.8 | -176.3 | -70.3 | 166.3 | 0 | 0 | 0 | 114.9 | E135 I137 Q158 | E135-L156 HydrophobicContact CB-CD1 4.09Å; E135-L156 WeakPolarHBondContact O-CG 3.26Å; I137-L156 HydrophobicContact CD1-CD2 4.22Å; I137-L156 HydrophobicContact CG1-CD2 4.28Å; L156-Q158 PolarHBondContact O-N 2.86Å |
| 157 | N | 82.2 | Confident | 89.2 | Confident | 116 Ų | 116 | 73.7 Ų | 73.7 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.9 | 177.8 | -66.9 | 12.6 | 0 | 0 | 0 | 114.1 | T155 E159 | T155-N157 PolarHBondContact O-N 2.81Å; N157-E159 HydrophobicContact CB-CB 4.47Å; N157-E159 HydrophobicContact CB-CG 3.88Å; N157-E159 VanDerWaalsContact CB-OE1 3.27Å; N157-E159 WeakPolarHBondContact CB-OE1 3.36Å; N157-E159 PolarHBondContact ND2-OE1 3.09Å; N157-E159 PolarHBondContact O-N 2.87Å |
| 158 | Q | 76.8 | Confident | 89.5 | Confident | 152 Ų | 152 | 68.4 Ų | 68.4 | 71% | 0.71 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 59.7 | 5.8 | -172.2 | -56.6 | -178.9 | -3.2 | 0 | 0 | 115.5 | T155 L156 K160 | T155-Q158 WeakPolarHBondContact O-CA 3.28Å; T155-Q158 PolarHBondContact O-N 2.95Å; L156-Q158 PolarHBondContact O-N 2.86Å; Q158-K160 PolarHBondContact O-N 2.86Å |
| 159 | E | 83.9 | Confident | 89.5 | Confident | 162 Ų | 162 | 69.3 Ų | 69.3 | 76% | 0.757 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -61.8 | -27.5 | 175.2 | -68.7 | 171.5 | -137.2 | 0 | 0 | 113.6 | N157 | N157-E159 HydrophobicContact CB-CB 4.47Å; N157-E159 HydrophobicContact CB-CG 3.88Å; N157-E159 VanDerWaalsContact CB-OE1 3.27Å; N157-E159 WeakPolarHBondContact CB-OE1 3.36Å; N157-E159 PolarHBondContact ND2-OE1 3.09Å; N157-E159 PolarHBondContact O-N 2.87Å |
| 160 | K | 86.4 | Confident | 89.1 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | trans | -133.2 | 124.8 | -178 | -177.8 | -167 | 170.7 | -136.6 | 0 | 109.7 | D136 T155 Q158 S162 | D136-K160 IonicContact OD2-NZ 2.94Å; T155-K160 PolarHBondContact N-O 2.85Å; Q158-K160 PolarHBondContact O-N 2.86Å; K160-S162 VanDerWaalsContact CE-OG 3.26Å; K160-S162 WeakPolarHBondContact CE-OG 3.26Å | ||
| 161 | V | 90.5 | Very high | 88.7 | Confident | 73 Ų | 73 | 78.9 Ų | 78.9 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 147.5 | 162 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | V152 F153 E154 | V152-V161 HydrophobicContact CG1-CG1 3.76Å; F153-V161 CarbonylContact O-C 3.54Å; F153-V161 WeakPolarHBondContact O-CA 3.25Å; E154-V161 HydrophobicContact CG-CG1 4.43Å; E154-V161 HydrophobicContact CG-CG2 4.35Å |
| 162 | S | 91.9 | Very high | 87.7 | Confident | 24 Ų | 24 | 87.2 Ų | 87.2 | 17% | 0.168 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 107.2 | 175.1 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | F153 K160 | F153-S162 PolarHBondContact N-O 3.35Å; F153-S162 PolarHBondContact O-N 3.41Å; K160-S162 VanDerWaalsContact CE-OG 3.26Å; K160-S162 WeakPolarHBondContact CE-OG 3.26Å |
| 163 | D | 92.5 | Very high | 86.6 | Confident | 119 Ų | 119 | 89.8 Ų | 89.8 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.3 | 176.7 | -51.1 | -83.4 | 0 | 0 | 0 | 110.2 | V152 | V152-D163 WeakPolarHBondContact CG2-OD1 3.5Å |
| 164 | Y | 93.4 | Very high | 85.4 | Confident | 83 Ų | 83 | 97.3 Ų | 97.3 | 33% | 0.325 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 148.5 | 171.1 | -66.3 | -88.2 | 0 | 0 | 0 | 109.6 | I128 C131 A150 L151 F153 | I128-Y164 HydrophobicContact CG2-CD1 4.17Å; I128-Y164 HydrophobicContact CG2-CD2 4.33Å; I128-Y164 HydrophobicContact CG2-CG 3.79Å; C131-Y164 HydrophobicContact CB-CE1 4.33Å; C131-Y164 HydrophobicContact CB-CE2 4.04Å; C131-Y164 WeakPolarHBondContact CB-OH 3.23Å; A150-Y164 CarbonylContact C-O 3.58Å; A150-Y164 WeakPolarHBondContact CA-O 3.3Å; L151-Y164 PolarHBondContact N-O 3.09Å; L151-Y164 PolarHBondContact O-N 3.04Å; F153-Y164 AromaticContact CD2-CD2 3.64Å; F153-Y164 HydrophobicContact CD2-CD2 3.64Å; F153-Y164 AromaticContact CD2-CE2 3.54Å; F153-Y164 HydrophobicContact CD2-CE2 3.54Å; F153-Y164 AromaticContact CE2-CD2 3.43Å; F153-Y164 HydrophobicContact CE2-CD2 3.43Å; F153-Y164 VanDerWaalsContact CE2-CD2 3.43Å; F153-Y164 AromaticContact CE2-CE2 3.58Å; F153-Y164 HydrophobicContact CE2-CE2 3.58Å; F153-Y164 HydrophobicContact CE2-CG 4.38Å; F153-Y164 HydrophobicContact CZ-CD2 4.23Å |
| 165 | E | 91.7 | Very high | 84.5 | Confident | 135 Ų | 135 | 101.6 Ų | 101.6 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.7 | 177.5 | -173.6 | 175.8 | -163.6 | 0 | 0 | 108.5 | T148 | T148-E165 VanDerWaalsContact CB-OE1 3.23Å; T148-E165 WeakPolarHBondContact CB-OE1 3.34Å; T148-E165 HydrophobicContact CG2-CG 4.03Å; T148-E165 WeakPolarHBondContact CG2-OE1 3.48Å; T148-E165 PolarHBondContact OG1-OE1 2.74Å |
| 166 | M | 92.3 | Very high | 83.9 | Confident | 17 Ų | 17 | 103.3 Ų | 103.3 | 8% | 0.084 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.3 | 173 | 66.9 | 179.1 | -71.5 | 0 | 0 | 110.9 | V120 M125 I128 T148 L149 L151 | V120-M166 HydrophobicContact CG1-CE 3.84Å; M125-M166 HydrophobicContact CB-CE 4.17Å; M125-M166 HydrophobicContact CB-SD 3.98Å; M125-M166 HydrophobicContact CG-SD 3.95Å; I128-M166 HydrophobicContact CD1-CB 3.68Å; I128-M166 HydrophobicContact CD1-CG 4.28Å; I128-M166 HydrophobicContact CD1-SD 4.03Å; T148-M166 CarbonylContact C-O 3.6Å; T148-M166 WeakPolarHBondContact CA-O 3.34Å; T148-M166 WeakPolarHBondContact CB-O 3.47Å; L149-M166 HydrophobicContact CB-CG 4.12Å; L149-M166 HydrophobicContact CD2-SD 4.43Å; L149-M166 PolarHBondContact N-O 3.05Å; L149-M166 PolarHBondContact O-N 3.33Å; L151-M166 HydrophobicContact CD1-CG 3.88Å; L151-M166 HydrophobicContact CD1-SD 4.06Å |
| 167 | K | 91.1 | Very high | 83.7 | Confident | 174 Ų | 174 | 102.2 Ų | 102.2 | 76% | 0.757 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.1 | 172.5 | -64.9 | -163.3 | 170.5 | -154.7 | 0 | 110.6 | D147 T148 | D147-K167 WeakPolarHBondContact O-CA 3.29Å; T148-K167 HydrophobicContact CG2-CG 4.2Å |
| 168 | L | 90.8 | Very high | 83.6 | Confident | 29 Ų | 29 | 99.4 Ų | 99.4 | 15% | 0.152 | 51% | 0.512 | C | S | . | . | trans | -82.9 | 174 | 164 | -64.9 | -179.2 | 0 | 0 | 0 | 109.6 | M118 G119 V120 A146 D147 L149 | M118-L168 HydrophobicContact CB-CD1 3.88Å; M118-L168 HydrophobicContact CB-CD2 4.04Å; M118-L168 HydrophobicContact CG-CD1 3.88Å; M118-L168 HydrophobicContact SD-CD1 4.34Å; G119-L168 WeakPolarHBondContact O-CA 3.28Å; G119-L168 WeakPolarHBondContact O-CD2 3.29Å; V120-L168 HydrophobicContact CG2-CD2 3.61Å; A146-L168 HydrophobicContact CB-CD1 3.86Å; A146-L168 WeakPolarHBondContact O-CD1 3.45Å; D147-L168 PolarHBondContact O-N 2.88Å; L149-L168 HydrophobicContact CB-CD1 4.38Å; L149-L168 HydrophobicContact CB-CD2 3.83Å; L149-L168 HydrophobicContact CB-CG 4.12Å | ||
| 169 | M | 88.6 | Confident | 83.6 | Confident | 60 Ų | 60 | 95.9 Ų | 95.9 | 30% | 0.296 | 50% | 0.502 | S | S | . | . | B | Isolated β-bridge | trans | -139.4 | 141.4 | 179.3 | 43.4 | 177.1 | 39.1 | 0 | 0 | 109.3 | E75 G119 N121 L171 | E75-M169 HydrophobicContact CB-SD 4.07Å; E75-M169 HydrophobicContact CG-SD 4.18Å; E75-M169 WeakPolarHBondContact OE1-CE 3.38Å; G119-M169 VanDerWaalsContact C-CG 3.47Å; G119-M169 VanDerWaalsContact CA-O 3.24Å; G119-M169 WeakPolarHBondContact CA-O 3.4Å; G119-M169 WeakPolarHBondContact O-CG 3.4Å; G119-M169 PolarHBondContact O-N 2.81Å; N121-M169 HydrophobicContact CB-CE 4.07Å; N121-M169 HydrophobicContact CB-SD 4.25Å; M169-L171 HydrophobicContact CG-CD1 4.37Å; M169-L171 HydrophobicContact CG-CD2 4.44Å; M169-L171 HydrophobicContact CG-CG 4.16Å; M169-L171 PolarHBondContact O-N 2.94Å; M169-L171 HydrophobicContact SD-CD1 4.2Å; M169-L171 HydrophobicContact SD-CD2 4.08Å; M169-L171 HydrophobicContact SD-CG 4.26Å |
| 170 | D | 83.8 | Confident | 83.1 | Confident | 172 Ų | 172 | 97.9 Ų | 97.9 | 92% | 0.92 | 51% | 0.511 | S | S | * | . | trans | -70.2 | 121.8 | 169.9 | -55.8 | -59.3 | 0 | 0 | 0 | 108.6 | ||||
| 171 | L | 84.2 | Confident | 82.8 | Confident | 62 Ų | 62 | 97.6 Ų | 97.6 | 33% | 0.325 | 51% | 0.511 | S | S | . | . | trans | -126.9 | 126.3 | 175.3 | -66.1 | 178.3 | 0 | 0 | 0 | 108.3 | E75 M169 V173 | E75-L171 HydrophobicContact CB-CD1 4.35Å; M169-L171 HydrophobicContact CG-CD1 4.37Å; M169-L171 HydrophobicContact CG-CD2 4.44Å; M169-L171 HydrophobicContact CG-CG 4.16Å; M169-L171 PolarHBondContact O-N 2.94Å; M169-L171 HydrophobicContact SD-CD1 4.2Å; M169-L171 HydrophobicContact SD-CD2 4.08Å; M169-L171 HydrophobicContact SD-CG 4.26Å; L171-V173 WeakPolarHBondContact O-CG2 3.45Å; L171-V173 PolarHBondContact O-N 2.95Å | ||
| 172 | D | 73.2 | Confident | 82.4 | Confident | 176 Ų | 176 | 102.8 Ų | 102.8 | 94% | 0.941 | 53% | 0.531 | S | S | * | . | trans | -72.7 | 117.8 | 170 | -68.6 | -53.1 | 0 | 0 | 0 | 109.2 | ||||
| 173 | V | 68.8 | Low | 82.3 | Confident | 59 Ų | 59 | 104 Ų | 104 | 36% | 0.358 | 53% | 0.532 | S | S | . | . | trans | -107.6 | 105.3 | -173.7 | -168.1 | 0 | 0 | 0 | 0 | 111 | C77 L171 Q175 | C77-V173 HydrophobicContact CB-CG1 4.41Å; C77-V173 HydrophobicContact CB-CG2 3.35Å; L171-V173 WeakPolarHBondContact O-CG2 3.45Å; L171-V173 PolarHBondContact O-N 2.95Å; V173-Q175 HydrophobicContact CG1-CG 4.05Å; V173-Q175 PolarHBondContact O-N 3.5Å; V173-Q175 VanDerWaalsContact O-N 3.14Å | ||
| 174 | E | 69.5 | Low | 82.2 | Confident | 161 Ų | 161 | 99 Ų | 99 | 75% | 0.752 | 51% | 0.507 | S | S | * | . | trans | -78.4 | 91 | 164.7 | -65.8 | -167.9 | 159.8 | 0 | 0 | 109.8 | L176 | E174-L176 PolarHBondContact O-N 3.44Š| ||
| 175 | Q | 71 | Confident | 82.1 | Confident | 128 Ų | 128 | 95.1 Ų | 95.1 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | trans | -66.4 | 114.7 | 171.1 | -73.8 | -174 | -15 | 0 | 0 | 109.9 | D79 V173 | D79-Q175 PolarHBondContact OD2-NE2 3.25Å; V173-Q175 HydrophobicContact CG1-CG 4.05Å; V173-Q175 PolarHBondContact O-N 3.5Å; V173-Q175 VanDerWaalsContact O-N 3.14Å | ||
| 176 | L | 77.8 | Confident | 82.2 | Confident | 76 Ų | 76 | 90.5 Ų | 90.5 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | trans | -88.7 | 117 | 178.8 | -73.1 | 171.5 | 0 | 0 | 0 | 110 | Q88 M90 L97 E174 I178 | Q88-L176 PolarHBondContact NE2-O 3.14Å; Q88-L176 PolarHBondContact OE1-O 3.21Å; M90-L176 HydrophobicContact CE-CD1 3.75Å; M90-L176 HydrophobicContact CG-CD1 4.3Å; M90-L176 HydrophobicContact SD-CD1 3.78Å; L97-L176 HydrophobicContact CD1-CB 4.32Å; L97-L176 HydrophobicContact CD1-CD1 3.67Å; E174-L176 PolarHBondContact O-N 3.44Å; L176-I178 PolarHBondContact O-N 2.75Å | ||
| 177 | G | 76.5 | Confident | 82.3 | Confident | 80 Ų | 80 | 89.7 Ų | 89.7 | 83% | 0.825 | 47% | 0.469 | S | S | * | . | trans | -65.4 | 99 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P179 | G177-P179 WeakPolarHBondContact O-CD 3.44Š| ||
| 178 | I | 81.2 | Confident | 82.5 | Confident | 57 Ų | 57 | 84.6 Ų | 84.6 | 29% | 0.292 | 45% | 0.446 | S | S | . | . | trans | -76.9 | 115.2 | 174 | -52.8 | -178.4 | 0 | 0 | 0 | 107.9 | L97 L176 Y300 | L97-I178 HydrophobicContact CD2-CD1 3.9Å; L176-I178 PolarHBondContact O-N 2.75Å; I178-Y300 HydrophobicContact CD1-CD2 4.48Å; I178-Y300 HydrophobicContact CD1-CE1 4.31Å; I178-Y300 HydrophobicContact CD1-CE2 3.78Å; I178-Y300 HydrophobicContact CG2-CE1 3.99Å | ||
| 179 | P | 77.2 | Confident | 82.6 | Confident | 77 Ų | 77 | 83.2 Ų | 83.2 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | trans | -70.8 | 149.3 | 176 | 30.3 | -34.8 | 0 | 0 | 0 | 110.9 | G177 Q181 | G177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-Q181 HydrophobicContact CB-CG 4.39Å; P179-Q181 HydrophobicContact CG-CG 4.06Å; P179-Q181 PolarHBondContact O-N 2.98Å | ||
| 180 | E | 73.8 | Confident | 82.9 | Confident | 204 Ų | 204 | 81.6 Ų | 81.6 | 95% | 0.953 | 43% | 0.434 | S | S | * | . | trans | -69.8 | 126.8 | 164.6 | -63.6 | -172.5 | 153.3 | 0 | 0 | 108.8 | ||||
| 181 | Q | 79.1 | Confident | 83.5 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | trans | -134.3 | 142.5 | -175.7 | -69.9 | 178.1 | -27 | 0 | 0 | 109.4 | P179 Y183 I283 | P179-Q181 HydrophobicContact CB-CG 4.39Å; P179-Q181 HydrophobicContact CG-CG 4.06Å; P179-Q181 PolarHBondContact O-N 2.98Å; Q181-Y183 WeakPolarHBondContact O-CD2 3.42Å; Q181-Y183 VanDerWaalsContact O-CE2 3.28Å; Q181-Y183 WeakPolarHBondContact O-CE2 3.39Å; Q181-I283 HydrophobicContact CB-CD1 4.43Å | ||
| 182 | E | 82.7 | Confident | 84 | Confident | 183 Ų | 183 | 72.8 Ų | 72.8 | 86% | 0.855 | 40% | 0.398 | S | S | * | . | trans | -81.5 | 144.2 | 170.4 | -63.6 | -175.4 | 172.2 | 0 | 0 | 109.8 | ||||
| 183 | Y | 89.6 | Confident | 85 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | trans | -112.5 | 132 | -177.5 | -61.8 | -86.6 | 0 | 0 | 0 | 110.7 | Q181 C185 I283 V286 | Q181-Y183 WeakPolarHBondContact O-CD2 3.42Å; Q181-Y183 VanDerWaalsContact O-CE2 3.28Å; Q181-Y183 WeakPolarHBondContact O-CE2 3.39Å; Y183-C185 VanDerWaalsContact C-N 3.29Å; Y183-C185 PolarHBondContact O-N 3Å; Y183-I283 HydrophobicContact CE1-CG2 4.05Å; Y183-V286 HydrophobicContact CE1-CG2 3.88Å; Y183-V286 WeakPolarHBondContact OH-CG2 3.42Å | ||
| 184 | S | 90.4 | Very high | 86.3 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -63.5 | -30.6 | 179 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | N250 E251 M279 S280 | S184-N250 PolarHBondContact O-N 2.75Å; S184-E251 PolarHBondContact O-N 2.71Å; S184-M279 PolarHBondContact N-O 3.38Å; S184-M279 VanDerWaalsContact N-O 3.09Å; S184-S280 PolarHBondContact OG-OG 3.26Å |
| 185 | C | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 132.7 | 172.8 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | Y183 V187 C212 E248 M249 V253 M279 | Y183-C185 VanDerWaalsContact C-N 3.29Å; Y183-C185 PolarHBondContact O-N 3Å; C185-V187 VanDerWaalsContact SG-CG2 3.55Å; C185-C212 HydrophobicContact CB-CB 3.79Å; C185-C212 WeakPolarHBondContact CB-SG 3.44Å; C185-C212 WeakPolarHBondContact SG-CB 3.41Å; C185-C212 CovalentContact SG-SG 2.04Å; C185-C212 PolarHBondContact SG-SG 3.24Å; C185-E248 CarbonylContact C-O 3.6Å; C185-E248 WeakPolarHBondContact CA-O 3.36Å; C185-M249 HydrophobicContact CB-CB 4.46Å; C185-M249 HydrophobicContact CB-CG 4.13Å; C185-V253 HydrophobicContact CB-CG2 4.28Å; C185-M279 PolarHBondContact N-O 3.36Å; C185-M279 PolarHBondContact O-N 2.82Å |
| 186 | V | 93.8 | Very high | 88.7 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 24% | 0.236 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.7 | 173.6 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | E248 T276 L277 | V186-E248 HydrophobicContact CB-CB 4.46Å; V186-E248 PolarHBondContact N-O 2.79Å; V186-E248 PolarHBondContact O-N 2.85Å; V186-T276 HydrophobicContact CG1-CG2 3.57Å; V186-L277 CarbonylContact C-O 3.59Å; V186-L277 WeakPolarHBondContact CA-O 3.19Å |
| 187 | V | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.4 | -179.4 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | C185 M189 V217 I247 T276 L277 M279 | C185-V187 VanDerWaalsContact SG-CG2 3.55Å; V187-M189 HydrophobicContact CB-CE 4.29Å; V187-M189 HydrophobicContact CG1-CE 3.39Å; V187-V217 HydrophobicContact CG1-CB 4.5Å; V187-V217 HydrophobicContact CG1-CG1 4.11Å; V187-V217 HydrophobicContact CG2-CB 4.45Å; V187-I247 HydrophobicContact CG1-CG1 4.02Å; V187-I247 HydrophobicContact CG2-CG1 4.29Å; V187-I247 HydrophobicContact CG2-CG2 4.37Å; V187-T276 CarbonylContact O-C 3.58Å; V187-T276 WeakPolarHBondContact O-CA 3.26Å; V187-L277 HydrophobicContact CB-CB 4.44Å; V187-L277 PolarHBondContact N-O 2.93Å; V187-L277 PolarHBondContact O-N 2.67Å; V187-M279 HydrophobicContact CG2-CE 4Å |
| 188 | K | 94.4 | Very high | 90.5 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.287 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.7 | 169.4 | 168.8 | -166.3 | 172.4 | -161.1 | 0 | 109.6 | T246 V275 T276 | K188-T246 WeakPolarHBondContact CB-OG1 3.49Å; K188-T246 PolarHBondContact N-O 2.77Å; K188-T246 PolarHBondContact O-N 3.07Å; K188-V275 WeakPolarHBondContact CA-O 3.3Å; K188-T276 HydrophobicContact CB-CG2 4.45Å |
| 189 | M | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 168.6 | -177.1 | 69.1 | -178.9 | 68.4 | 0 | 0 | 111.8 | V187 S191 F194 V217 F219 L232 V245 T274 V275 L277 | V187-M189 HydrophobicContact CB-CE 4.29Å; V187-M189 HydrophobicContact CG1-CE 3.39Å; M189-S191 PolarHBondContact O-N 3.44Å; M189-F194 HydrophobicContact CG-CB 4.37Å; M189-F194 HydrophobicContact SD-CB 3.92Å; M189-F194 HydrophobicContact SD-CD2 4.04Å; M189-F194 HydrophobicContact SD-CG 4.38Å; M189-V217 HydrophobicContact CE-CG1 4.1Å; M189-F219 HydrophobicContact CE-CE2 4.21Å; M189-F219 HydrophobicContact CE-CZ 3.93Å; M189-F219 HydrophobicContact SD-CZ 4.33Å; M189-L232 HydrophobicContact CE-CD1 4.28Å; M189-L232 HydrophobicContact SD-CD1 3.91Å; M189-V245 HydrophobicContact CB-CG1 4.48Å; M189-V245 HydrophobicContact CB-CG2 4.19Å; M189-T274 CarbonylContact O-C 3.53Å; M189-T274 VanDerWaalsContact O-CA 3.24Å; M189-T274 WeakPolarHBondContact O-CA 3.34Å; M189-T274 WeakPolarHBondContact O-CB 3.45Å; M189-V275 HydrophobicContact CG-CG1 3.68Å; M189-V275 PolarHBondContact N-O 3.49Å; M189-V275 PolarHBondContact O-N 3.37Å; M189-L277 HydrophobicContact CE-CD1 3.7Å; M189-L277 HydrophobicContact CE-CG 4.46Å; M189-L277 HydrophobicContact SD-CD1 4.43Å |
| 190 | P | 94.9 | Very high | 92 | Very high | 27 Ų | 27 | 54 Ų | 54 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 126.9 | 174 | -23.1 | 35.8 | 0 | 0 | 0 | 111.9 | G192 E193 F194 K273 | P190-G192 VanDerWaalsContact C-N 3.26Å; P190-G192 PolarHBondContact O-N 3.23Å; P190-E193 HydrophobicContact CB-CB 4.4Å; P190-E193 PolarHBondContact O-N 3.42Å; P190-E193 VanDerWaalsContact O-N 3.14Å; P190-F194 PolarHBondContact O-N 3.06Å; P190-F194 VanDerWaalsContact O-N 3.15Å; P190-K273 WeakPolarHBondContact CA-O 3.24Å |
| 191 | S | 95.8 | Very high | 93 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -27.4 | -176.5 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | M189 A195 T269 S272 K273 | M189-S191 PolarHBondContact O-N 3.44Å; S191-A195 WeakPolarHBondContact O-CB 3.45Å; S191-A195 PolarHBondContact O-N 2.89Å; S191-T269 PolarHBondContact O-OG1 2.95Å; S191-T269 VanDerWaalsContact O-OG1 3.1Å; S191-S272 WeakPolarHBondContact CB-O 3.45Å; S191-S272 PolarHBondContact OG-O 3.22Å; S191-K273 PolarHBondContact N-O 3.41Å; S191-K273 PolarHBondContact OG-O 3.15Å; S191-K273 VanDerWaalsContact OG-O 3.06Å |
| 192 | G | 95.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 45% | 0.454 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.3 | -35.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P190 R196 | P190-G192 VanDerWaalsContact C-N 3.26Å; P190-G192 PolarHBondContact O-N 3.23Å; G192-R196 PolarHBondContact O-N 3.04Å; G192-R196 VanDerWaalsContact O-N 3.11Å |
| 193 | E | 93.9 | Very high | 94.2 | Very high | 66 Ų | 66 | 40 Ų | 40 | 31% | 0.308 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -78.1 | -40.4 | 178.4 | -170.9 | 60.8 | -164.4 | 0 | 0 | 110.7 | P190 A195 R196 I197 L232 | P190-E193 HydrophobicContact CB-CB 4.4Å; P190-E193 PolarHBondContact O-N 3.42Å; P190-E193 VanDerWaalsContact O-N 3.14Å; E193-A195 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 3.29Å; E193-R196 WeakPolarHBondContact O-CA 3.13Å; E193-R196 WeakPolarHBondContact O-CB 3.29Å; E193-R196 PolarHBondContact O-N 3.24Å; E193-I197 HydrophobicContact CG-CD1 4.16Å; E193-I197 WeakPolarHBondContact O-CG1 3.21Å; E193-I197 PolarHBondContact O-N 2.93Å; E193-L232 HydrophobicContact CG-CD2 4.5Å |
| 194 | F | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.7 | -47 | 169.6 | -177.9 | -111.9 | 0 | 0 | 0 | 111.8 | M189 P190 R196 I197 C198 F219 L262 T266 V275 L277 V287 | M189-F194 HydrophobicContact CG-CB 4.37Å; M189-F194 HydrophobicContact SD-CB 3.92Å; M189-F194 HydrophobicContact SD-CD2 4.04Å; M189-F194 HydrophobicContact SD-CG 4.38Å; P190-F194 PolarHBondContact O-N 3.06Å; P190-F194 VanDerWaalsContact O-N 3.15Å; F194-R196 PolarHBondContact O-N 3.39Å; F194-I197 PolarHBondContact O-N 3.01Å; F194-C198 PolarHBondContact O-N 3.09Å; F194-C198 PolarHBondContact O-SG 3.35Å; F194-F219 HydrophobicContact CD2-CE1 4.37Å; F194-F219 HydrophobicContact CD2-CZ 4.29Å; F194-F219 HydrophobicContact CE2-CE1 4.11Å; F194-F219 HydrophobicContact CE2-CZ 4.41Å; F194-L262 HydrophobicContact CZ-CD2 4.46Å; F194-T266 HydrophobicContact CD1-CG2 3.76Å; F194-T266 HydrophobicContact CE1-CG2 3.79Å; F194-V275 HydrophobicContact CB-CG1 3.7Å; F194-V275 HydrophobicContact CD1-CG1 4.03Å; F194-V275 HydrophobicContact CD1-CG2 4.4Å; F194-V275 HydrophobicContact CG-CG1 3.9Å; F194-L277 HydrophobicContact CD2-CD1 4.05Å; F194-L277 HydrophobicContact CD2-CD2 4.47Å; F194-L277 HydrophobicContact CE1-CD2 4.33Å; F194-L277 HydrophobicContact CE2-CD1 3.74Å; F194-L277 HydrophobicContact CE2-CD2 3.91Å; F194-L277 HydrophobicContact CE2-CG 4.45Å; F194-L277 HydrophobicContact CZ-CD1 4.48Å; F194-L277 HydrophobicContact CZ-CD2 3.83Å; F194-V287 HydrophobicContact CE1-CG1 4.22Å |
| 195 | A | 96.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 40 Ų | 40 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -14.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S191 E193 R199 T266 T269 | S191-A195 WeakPolarHBondContact O-CB 3.45Å; S191-A195 PolarHBondContact O-N 2.89Å; E193-A195 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 3.29Å; A195-R199 PolarHBondContact O-NH1 3.08Å; A195-R199 PolarHBondContact O-NH2 2.79Å; A195-T266 HydrophobicContact CB-CG2 3.9Å; A195-T269 HydrophobicContact CB-CG2 4.35Å |
| 196 | R | 95.8 | Very high | 94.5 | Very high | 131 Ų | 131 | 46.6 Ų | 46.6 | 49% | 0.494 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -85.2 | -51.9 | 168.8 | -178.7 | -175.5 | -179.9 | -179.2 | 4.3 | 110.8 | G192 E193 F194 C198 R199 D200 | G192-R196 PolarHBondContact O-N 3.04Å; G192-R196 VanDerWaalsContact O-N 3.11Å; E193-R196 WeakPolarHBondContact O-CA 3.13Å; E193-R196 WeakPolarHBondContact O-CB 3.29Å; E193-R196 PolarHBondContact O-N 3.24Å; F194-R196 PolarHBondContact O-N 3.39Å; R196-C198 VanDerWaalsContact C-N 3.31Å; R196-C198 PolarHBondContact O-N 3.09Å; R196-R199 PolarHBondContact O-N 3.14Å; R196-D200 VanDerWaalsContact CG-OD2 3.26Å; R196-D200 WeakPolarHBondContact CG-OD2 3.44Å; R196-D200 IonicContact NE-OD2 2.69Å; R196-D200 PolarHBondContact NE-OD2 3.01Å; R196-D200 WeakPolarHBondContact O-CB 3.48Å; R196-D200 VanDerWaalsContact O-CG 3.32Å; R196-D200 PolarHBondContact O-N 3.02Å |
| 197 | I | 95.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.7 | -46.4 | -179.6 | -68.6 | 170.1 | 0 | 0 | 0 | 111.2 | E193 F194 L201 F219 V230 L232 | E193-I197 HydrophobicContact CG-CD1 4.16Å; E193-I197 WeakPolarHBondContact O-CG1 3.21Å; E193-I197 PolarHBondContact O-N 2.93Å; F194-I197 PolarHBondContact O-N 3.01Å; I197-L201 HydrophobicContact CG2-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CG 4.39Å; I197-L201 VanDerWaalsContact O-CB 3.31Å; I197-L201 WeakPolarHBondContact O-CB 3.38Å; I197-L201 VanDerWaalsContact O-CG 3.28Å; I197-L201 WeakPolarHBondContact O-CG 3.49Å; I197-L201 PolarHBondContact O-N 3.14Å; I197-F219 HydrophobicContact CD1-CD2 4.16Å; I197-F219 HydrophobicContact CD1-CE2 4.19Å; I197-F219 HydrophobicContact CG2-CB 3.81Å; I197-F219 HydrophobicContact CG2-CD1 4Å; I197-F219 HydrophobicContact CG2-CD2 3.99Å; I197-F219 HydrophobicContact CG2-CG 3.67Å; I197-V230 HydrophobicContact CD1-CG1 3.87Å; I197-V230 HydrophobicContact CG1-CB 4.47Å; I197-V230 HydrophobicContact CG1-CG1 4.01Å; I197-L232 HydrophobicContact CD1-CD1 3.83Å; I197-L232 HydrophobicContact CD1-CD2 4.42Å; I197-L232 HydrophobicContact CD1-CG 4.19Å |
| 198 | C | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | F194 R196 S202 L259 L262 N263 T266 | F194-C198 PolarHBondContact O-N 3.09Å; F194-C198 PolarHBondContact O-SG 3.35Å; R196-C198 VanDerWaalsContact C-N 3.31Å; R196-C198 PolarHBondContact O-N 3.09Å; C198-S202 WeakPolarHBondContact O-CB 3.45Å; C198-S202 PolarHBondContact O-N 2.84Å; C198-S202 PolarHBondContact O-OG 3.39Å; C198-L259 HydrophobicContact CB-CD2 4.25Å; C198-L262 HydrophobicContact CB-CB 4.5Å; C198-N263 WeakPolarHBondContact CB-OD1 3.37Å; C198-T266 HydrophobicContact CB-CG2 4.2Å |
| 199 | R | 95 | Very high | 94.6 | Very high | 133 Ų | 133 | 45.8 Ų | 45.8 | 50% | 0.502 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -47.3 | -179.3 | -173.3 | -172.9 | -55.8 | 89 | 15.9 | 112.2 | A195 R196 S202 | A195-R199 PolarHBondContact O-NH1 3.08Å; A195-R199 PolarHBondContact O-NH2 2.79Å; R196-R199 PolarHBondContact O-N 3.14Å; R199-S202 WeakPolarHBondContact O-CB 3.41Å; R199-S202 PolarHBondContact O-N 2.86Å |
| 200 | D | 94.7 | Very high | 94.6 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 40% | 0.401 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.7 | -40.6 | -174.4 | -65.9 | 6.3 | 0 | 0 | 0 | 110.1 | R196 Q203 | R196-D200 VanDerWaalsContact CG-OD2 3.26Å; R196-D200 WeakPolarHBondContact CG-OD2 3.44Å; R196-D200 IonicContact NE-OD2 2.69Å; R196-D200 PolarHBondContact NE-OD2 3.01Å; R196-D200 WeakPolarHBondContact O-CB 3.48Å; R196-D200 VanDerWaalsContact O-CG 3.32Å; R196-D200 PolarHBondContact O-N 3.02Å; D200-Q203 PolarHBondContact O-N 3.22Å |
| 201 | L | 94.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.1 | -27.8 | 174 | -66.7 | 177.7 | 0 | 0 | 0 | 113.4 | I197 Q203 I204 G205 V208 F219 A221 V230 L259 | I197-L201 HydrophobicContact CG2-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CG 4.39Å; I197-L201 VanDerWaalsContact O-CB 3.31Å; I197-L201 WeakPolarHBondContact O-CB 3.38Å; I197-L201 VanDerWaalsContact O-CG 3.28Å; I197-L201 WeakPolarHBondContact O-CG 3.49Å; I197-L201 PolarHBondContact O-N 3.14Å; L201-Q203 PolarHBondContact O-N 2.91Å; L201-Q203 VanDerWaalsContact O-N 3.16Å; L201-I204 WeakPolarHBondContact O-CB 3.48Å; L201-I204 PolarHBondContact O-N 2.82Å; L201-G205 PolarHBondContact O-N 2.82Å; L201-V208 HydrophobicContact CD1-CG2 3.77Å; L201-F219 HydrophobicContact CD1-CB 3.68Å; L201-A221 HydrophobicContact CB-CB 3.99Å; L201-A221 HydrophobicContact CD2-CB 4.05Å; L201-A221 HydrophobicContact CG-CB 4.42Å; L201-V230 HydrophobicContact CD2-CG2 4.5Å; L201-L259 HydrophobicContact CB-CD1 4.02Å |
| 202 | S | 94.1 | Very high | 94.4 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -5.8 | 174.2 | -56.6 | 0 | 0 | 0 | 0 | 113.8 | C198 R199 I204 N263 | C198-S202 WeakPolarHBondContact O-CB 3.45Å; C198-S202 PolarHBondContact O-N 2.84Å; C198-S202 PolarHBondContact O-OG 3.39Å; R199-S202 WeakPolarHBondContact O-CB 3.41Å; R199-S202 PolarHBondContact O-N 2.86Å; S202-I204 VanDerWaalsContact C-N 3.35Å; S202-N263 PolarHBondContact OG-ND2 2.83Å |
| 203 | Q | 91.8 | Very high | 94 | Very high | 138 Ų | 138 | 44.8 Ų | 44.8 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -7.1 | 167.9 | -54 | -55.2 | -83.1 | 0 | 0 | 112.5 | D200 L201 | D200-Q203 PolarHBondContact O-N 3.22Å; L201-Q203 PolarHBondContact O-N 2.91Å; L201-Q203 VanDerWaalsContact O-N 3.16Å |
| 204 | I | 93.4 | Very high | 93.4 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 26% | 0.256 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -38.3 | -176.4 | -51.8 | -59.3 | 0 | 0 | 0 | 111.8 | L201 S202 G223 G226 | L201-I204 WeakPolarHBondContact O-CB 3.48Å; L201-I204 PolarHBondContact O-N 2.82Å; S202-I204 VanDerWaalsContact C-N 3.35Å; I204-G223 WeakPolarHBondContact O-CA 3.23Å; I204-G226 VanDerWaalsContact CG2-O 3.31Å; I204-G226 WeakPolarHBondContact CG2-O 3.48Å |
| 205 | G | 92.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | trans | -172.7 | 171.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L201 A207 L259 | L201-G205 PolarHBondContact O-N 2.82Å; G205-A207 VanDerWaalsContact C-N 3.33Å; G205-A207 PolarHBondContact O-N 2.86Å; G205-L259 VanDerWaalsContact O-CD1 3.23Å; G205-L259 WeakPolarHBondContact O-CD1 3.24Å | ||
| 206 | D | 92.5 | Very high | 92.1 | Very high | 139 Ų | 139 | 56 Ų | 56 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -81.9 | -5.1 | -171.2 | -60 | -54.6 | 0 | 0 | 0 | 115.2 | L259 | D206-L259 PolarHBondContact O-N 3.06Š|
| 207 | A | 94 | Very high | 92 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G205 A221 I256 F257 K304 | G205-A207 VanDerWaalsContact C-N 3.33Å; G205-A207 PolarHBondContact O-N 2.86Å; A207-A221 WeakPolarHBondContact O-CB 3.45Å; A207-I256 HydrophobicContact CB-CG2 3.9Å; A207-F257 CarbonylContact C-O 3.58Å; A207-F257 VanDerWaalsContact CA-O 3.24Å; A207-F257 WeakPolarHBondContact CA-O 3.37Å; A207-K304 HydrophobicContact CB-CD 4.42Å |
| 208 | V | 95.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127 | 172 | 63 | 0 | 0 | 0 | 0 | 110.1 | L201 I210 F219 S220 I256 F257 L259 L262 | L201-V208 HydrophobicContact CD1-CG2 3.77Å; V208-I210 HydrophobicContact CG1-CD1 4.49Å; V208-I210 HydrophobicContact CG1-CG1 4.2Å; V208-I210 HydrophobicContact CG2-CG1 4.33Å; V208-F219 HydrophobicContact CG2-CB 3.97Å; V208-F219 HydrophobicContact CG2-CD1 4.08Å; V208-S220 CarbonylContact C-O 3.57Å; V208-S220 WeakPolarHBondContact CA-O 3.19Å; V208-I256 WeakPolarHBondContact O-CA 3.48Å; V208-F257 PolarHBondContact N-O 2.78Å; V208-F257 PolarHBondContact O-N 3.35Å; V208-L259 HydrophobicContact CB-CD1 3.99Å; V208-L259 HydrophobicContact CB-CD2 3.88Å; V208-L259 HydrophobicContact CB-CG 3.79Å; V208-L259 HydrophobicContact CG1-CD2 3.69Å; V208-L259 HydrophobicContact CG1-CG 3.81Å; V208-L262 HydrophobicContact CG1-CD1 3.44Å; V208-L262 VanDerWaalsContact CG1-CD1 3.44Å |
| 209 | M | 95 | Very high | 92 | Very high | 61 Ų | 61 | 53.6 Ų | 53.6 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 115.3 | 164.7 | -179.6 | -179 | -75.5 | 0 | 0 | 108.2 | S220 Q254 L255 I256 | M209-S220 PolarHBondContact N-O 3.39Å; M209-S220 PolarHBondContact O-N 2.71Å; M209-Q254 HydrophobicContact CG-CG 4.04Å; M209-Q254 HydrophobicContact SD-CG 4.2Å; M209-Q254 PolarHBondContact SD-NE2 2.67Å; M209-L255 CarbonylContact C-O 3.57Å; M209-L255 WeakPolarHBondContact CA-O 3.45Å; M209-I256 HydrophobicContact CB-CG1 4.18Å; M209-I256 HydrophobicContact CE-CD1 3.82Å; M209-I256 HydrophobicContact CE-CG1 4.01Å; M209-I256 HydrophobicContact CG-CG1 4.3Å |
| 210 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.5 | 173.7 | -51.1 | 179.7 | 0 | 0 | 0 | 107.3 | V208 V217 K218 F219 Q254 L255 F257 M279 L285 | V208-I210 HydrophobicContact CG1-CD1 4.49Å; V208-I210 HydrophobicContact CG1-CG1 4.2Å; V208-I210 HydrophobicContact CG2-CG1 4.33Å; I210-V217 HydrophobicContact CG2-CG2 3.97Å; I210-K218 WeakPolarHBondContact CA-O 3.19Å; I210-F219 HydrophobicContact CD1-CD1 4.25Å; I210-F219 HydrophobicContact CD1-CE1 3.89Å; I210-F219 HydrophobicContact CG1-CD1 3.84Å; I210-F219 HydrophobicContact CG1-CE1 3.93Å; I210-F219 HydrophobicContact CG2-CD1 4.34Å; I210-F219 HydrophobicContact CG2-CE1 4.04Å; I210-Q254 WeakPolarHBondContact O-CA 3.46Å; I210-L255 PolarHBondContact N-O 2.98Å; I210-L255 PolarHBondContact O-N 3.22Å; I210-F257 HydrophobicContact CB-CD2 4.48Å; I210-F257 HydrophobicContact CB-CE2 4.43Å; I210-F257 HydrophobicContact CD1-CD2 3.67Å; I210-F257 HydrophobicContact CD1-CE2 4.05Å; I210-F257 HydrophobicContact CG1-CD2 3.97Å; I210-F257 HydrophobicContact CG1-CE2 4.36Å; I210-M279 HydrophobicContact CB-SD 4.33Å; I210-M279 HydrophobicContact CG2-CE 4.22Å; I210-M279 HydrophobicContact CG2-SD 3.74Å; I210-L285 HydrophobicContact CD1-CD2 4.21Å |
| 211 | S | 93.1 | Very high | 92 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 20% | 0.203 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.3 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | V217 K218 V253 | S211-V217 CarbonylContact O-C 3.6Å; S211-V217 WeakPolarHBondContact O-CA 3.47Å; S211-K218 PolarHBondContact N-O 2.81Å; S211-K218 PolarHBondContact O-N 3.27Å; S211-V253 CarbonylContact C-O 3.57Å; S211-V253 WeakPolarHBondContact CA-O 3.24Å |
| 212 | C | 91.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.2 | 174.7 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | C185 P252 V253 M279 | C185-C212 HydrophobicContact CB-CB 3.79Å; C185-C212 WeakPolarHBondContact CB-SG 3.44Å; C185-C212 WeakPolarHBondContact SG-CB 3.41Å; C185-C212 CovalentContact SG-SG 2.04Å; C185-C212 PolarHBondContact SG-SG 3.24Å; C212-P252 WeakPolarHBondContact O-CA 3.31Å; C212-V253 PolarHBondContact N-O 3.26Å; C212-V253 PolarHBondContact O-N 2.78Å; C212-M279 HydrophobicContact CB-CE 4.19Å |
| 213 | A | 87.9 | Confident | 91.7 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 169.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D215 G216 M249 | A213-D215 WeakPolarHBondContact CB-OD1 3.33Å; A213-D215 PolarHBondContact O-N 2.96Å; A213-G216 PolarHBondContact N-O 3.31Å; A213-G216 PolarHBondContact O-N 3.21Å; A213-G216 VanDerWaalsContact O-N 3.07Å; A213-G216 VanDerWaalsContact O-O 3.06Å; A213-M249 VanDerWaalsContact CA-SD 3.57Å |
| 214 | K | 81.3 | Confident | 91.6 | Very high | 205 Ų | 205 | 52 Ų | 52 | 89% | 0.891 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.2 | -177 | -65 | -171.6 | 178.3 | -177.6 | 0 | 114.5 | M249 | K214-M249 HydrophobicContact CB-CE 4.47Å; K214-M249 HydrophobicContact CG-CE 3.57Å |
| 215 | D | 77.8 | Confident | 91.3 | Very high | 100 Ų | 100 | 56.7 Ų | 56.7 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 2.1 | -177.4 | 68.3 | -39.8 | 0 | 0 | 0 | 113.5 | A213 K231 | A213-D215 WeakPolarHBondContact CB-OD1 3.33Å; A213-D215 PolarHBondContact O-N 2.96Å; D215-K231 WeakPolarHBondContact O-CE 3.35Å; D215-K231 PolarHBondContact O-NZ 2.9Å; D215-K231 WeakPolarHBondContact OD2-CE 3.45Å; D215-K231 IonicContact OD2-NZ 2.63Å; D215-K231 PolarHBondContact OD2-NZ 2.95Å |
| 216 | G | 87.2 | Confident | 91.2 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.9 | -175.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A213 L232 | A213-G216 PolarHBondContact N-O 3.31Å; A213-G216 PolarHBondContact O-N 3.21Å; A213-G216 VanDerWaalsContact O-N 3.07Å; A213-G216 VanDerWaalsContact O-O 3.06Å; G216-L232 CarbonylContact C-O 3.55Å; G216-L232 WeakPolarHBondContact CA-O 3.25Å |
| 217 | V | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 134.5 | 165.4 | 64 | 0 | 0 | 0 | 0 | 109.5 | V187 M189 I210 S211 F219 K231 L232 I247 | V187-V217 HydrophobicContact CG1-CB 4.5Å; V187-V217 HydrophobicContact CG1-CG1 4.11Å; V187-V217 HydrophobicContact CG2-CB 4.45Å; M189-V217 HydrophobicContact CE-CG1 4.1Å; I210-V217 HydrophobicContact CG2-CG2 3.97Å; S211-V217 CarbonylContact O-C 3.6Å; S211-V217 WeakPolarHBondContact O-CA 3.47Å; V217-F219 HydrophobicContact CG1-CE2 3.98Å; V217-F219 HydrophobicContact CG2-CE2 3.96Å; V217-F219 HydrophobicContact CG2-CZ 4.15Å; V217-K231 WeakPolarHBondContact O-CA 3.47Å; V217-L232 HydrophobicContact CG1-CB 3.82Å; V217-L232 HydrophobicContact CG1-CD1 4.47Å; V217-L232 PolarHBondContact N-O 2.81Å; V217-L232 PolarHBondContact O-N 3.1Å; V217-I247 HydrophobicContact CB-CD1 4.39Å; V217-I247 HydrophobicContact CG1-CD1 4.46Å |
| 218 | K | 94.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 55 Ų | 55 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.7 | 179.4 | -172.1 | -173.7 | -177.3 | -120.8 | 0 | 110 | I210 S211 S220 N229 V230 K231 | I210-K218 WeakPolarHBondContact CA-O 3.19Å; S211-K218 PolarHBondContact N-O 2.81Å; S211-K218 PolarHBondContact O-N 3.27Å; K218-S220 WeakPolarHBondContact CE-OG 3.4Å; K218-S220 PolarHBondContact NZ-OG 2.94Å; K218-N229 VanDerWaalsContact CE-OD1 3.24Å; K218-N229 WeakPolarHBondContact CE-OD1 3.45Å; K218-N229 PolarHBondContact NZ-OD1 3.03Å; K218-V230 WeakPolarHBondContact CA-O 3.47Å; K218-K231 HydrophobicContact CB-CG 4.45Å |
| 219 | F | 96.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.4 | 171.9 | -61.2 | -93.6 | 0 | 0 | 0 | 108.5 | M189 F194 I197 L201 V208 I210 V217 N229 V230 L232 L277 | M189-F219 HydrophobicContact CE-CE2 4.21Å; M189-F219 HydrophobicContact CE-CZ 3.93Å; M189-F219 HydrophobicContact SD-CZ 4.33Å; F194-F219 HydrophobicContact CD2-CE1 4.37Å; F194-F219 HydrophobicContact CD2-CZ 4.29Å; F194-F219 HydrophobicContact CE2-CE1 4.11Å; F194-F219 HydrophobicContact CE2-CZ 4.41Å; I197-F219 HydrophobicContact CD1-CD2 4.16Å; I197-F219 HydrophobicContact CD1-CE2 4.19Å; I197-F219 HydrophobicContact CG2-CB 3.81Å; I197-F219 HydrophobicContact CG2-CD1 4Å; I197-F219 HydrophobicContact CG2-CD2 3.99Å; I197-F219 HydrophobicContact CG2-CG 3.67Å; L201-F219 HydrophobicContact CD1-CB 3.68Å; V208-F219 HydrophobicContact CG2-CB 3.97Å; V208-F219 HydrophobicContact CG2-CD1 4.08Å; I210-F219 HydrophobicContact CD1-CD1 4.25Å; I210-F219 HydrophobicContact CD1-CE1 3.89Å; I210-F219 HydrophobicContact CG1-CD1 3.84Å; I210-F219 HydrophobicContact CG1-CE1 3.93Å; I210-F219 HydrophobicContact CG2-CD1 4.34Å; I210-F219 HydrophobicContact CG2-CE1 4.04Å; V217-F219 HydrophobicContact CG1-CE2 3.98Å; V217-F219 HydrophobicContact CG2-CE2 3.96Å; V217-F219 HydrophobicContact CG2-CZ 4.15Å; F219-N229 WeakPolarHBondContact O-CA 3.29Å; F219-V230 PolarHBondContact N-O 2.65Å; F219-V230 PolarHBondContact O-N 2.81Å; F219-L232 HydrophobicContact CE2-CD1 4.36Å; F219-L277 HydrophobicContact CE1-CD1 4.41Å; F219-L277 HydrophobicContact CZ-CD1 4.08Å |
| 220 | S | 95.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 12% | 0.119 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.9 | 179.8 | -74.6 | 0 | 0 | 0 | 0 | 111.1 | V208 M209 K218 G228 N229 | V208-S220 CarbonylContact C-O 3.57Å; V208-S220 WeakPolarHBondContact CA-O 3.19Å; M209-S220 PolarHBondContact N-O 3.39Å; M209-S220 PolarHBondContact O-N 2.71Å; K218-S220 WeakPolarHBondContact CE-OG 3.4Å; K218-S220 PolarHBondContact NZ-OG 2.94Å; S220-G228 CarbonylContact C-O 3.59Å; S220-G228 WeakPolarHBondContact CA-O 3.39Å; S220-N229 PolarHBondContact OG-OD1 2.85Å |
| 221 | A | 95.4 | Very high | 91 | Very high | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L201 A207 T227 G228 L259 | L201-A221 HydrophobicContact CB-CB 3.99Å; L201-A221 HydrophobicContact CD2-CB 4.05Å; L201-A221 HydrophobicContact CG-CB 4.42Å; A207-A221 WeakPolarHBondContact O-CB 3.45Å; A221-T227 CarbonylContact O-C 3.58Å; A221-T227 WeakPolarHBondContact O-CA 3.38Å; A221-G228 PolarHBondContact N-O 2.94Å; A221-G228 PolarHBondContact O-N 3.06Å; A221-L259 HydrophobicContact CB-CD1 4.4Å |
| 222 | S | 92.4 | Very high | 90.9 | Very high | 87 Ų | 87 | 62.9 Ų | 62.9 | 61% | 0.608 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143.2 | -179.6 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 223 | G | 90.8 | Very high | 90.7 | Very high | 33 Ų | 33 | 66 Ų | 66 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175 | -171.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I204 L225 G226 | I204-G223 WeakPolarHBondContact O-CA 3.23Å; G223-L225 PolarHBondContact O-N 2.82Å; G223-L225 VanDerWaalsContact O-N 3.14Å; G223-G226 PolarHBondContact N-O 3.04Å; G223-G226 PolarHBondContact O-N 3.38Å; G223-G226 VanDerWaalsContact O-O 3.06Å |
| 224 | E | 88.1 | Confident | 90.4 | Very high | 206 Ų | 206 | 70.1 Ų | 70.1 | 96% | 0.963 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.5 | -171.1 | -59.1 | -172.6 | 164.4 | 0 | 0 | 114 | G226 | E224-G226 VanDerWaalsContact C-N 3.34Š|
| 225 | L | 87.3 | Confident | 90.3 | Very high | 150 Ų | 150 | 63.3 Ų | 63.3 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -8.5 | -179.9 | -61 | 179.4 | 0 | 0 | 0 | 113.8 | G223 | G223-L225 PolarHBondContact O-N 2.82Å; G223-L225 VanDerWaalsContact O-N 3.14Å |
| 226 | G | 91 | Very high | 89.6 | Confident | 32 Ų | 32 | 64 Ų | 64 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.6 | -150.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | I204 G223 E224 | I204-G226 VanDerWaalsContact CG2-O 3.31Å; I204-G226 WeakPolarHBondContact CG2-O 3.48Å; G223-G226 PolarHBondContact N-O 3.04Å; G223-G226 PolarHBondContact O-N 3.38Å; G223-G226 VanDerWaalsContact O-O 3.06Å; E224-G226 VanDerWaalsContact C-N 3.34Å |
| 227 | T | 93 | Very high | 88.1 | Confident | 99 Ų | 99 | 71.4 Ų | 71.4 | 61% | 0.607 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.2 | 179.3 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | A221 | A221-T227 CarbonylContact O-C 3.58Å; A221-T227 WeakPolarHBondContact O-CA 3.38Å |
| 228 | G | 93.8 | Very high | 86.6 | Confident | 11 Ų | 11 | 73.8 Ų | 73.8 | 11% | 0.113 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S220 A221 | S220-G228 CarbonylContact C-O 3.59Å; S220-G228 WeakPolarHBondContact CA-O 3.39Å; A221-G228 PolarHBondContact N-O 2.94Å; A221-G228 PolarHBondContact O-N 3.06Å |
| 229 | N | 94.1 | Very high | 85.1 | Confident | 91 Ų | 91 | 78.1 Ų | 78.1 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 115.5 | 178.9 | -72.9 | -90.9 | 0 | 0 | 0 | 109.4 | K218 F219 S220 | K218-N229 VanDerWaalsContact CE-OD1 3.24Å; K218-N229 WeakPolarHBondContact CE-OD1 3.45Å; K218-N229 PolarHBondContact NZ-OD1 3.03Å; F219-N229 WeakPolarHBondContact O-CA 3.29Å; S220-N229 PolarHBondContact OG-OD1 2.85Å |
| 230 | V | 94.3 | Very high | 83.9 | Confident | 46 Ų | 46 | 83.2 Ų | 83.2 | 28% | 0.279 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.1 | 171.5 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | I197 L201 K218 F219 | I197-V230 HydrophobicContact CD1-CG1 3.87Å; I197-V230 HydrophobicContact CG1-CB 4.47Å; I197-V230 HydrophobicContact CG1-CG1 4.01Å; L201-V230 HydrophobicContact CD2-CG2 4.5Å; K218-V230 WeakPolarHBondContact CA-O 3.47Å; F219-V230 PolarHBondContact N-O 2.65Å; F219-V230 PolarHBondContact O-N 2.81Å |
| 231 | K | 92.9 | Very high | 82.8 | Confident | 93 Ų | 93 | 89.7 Ų | 89.7 | 40% | 0.404 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126 | 176.4 | -172.3 | -173.2 | 171.4 | -165.9 | 0 | 109.9 | D215 V217 K218 | D215-K231 WeakPolarHBondContact O-CE 3.35Å; D215-K231 PolarHBondContact O-NZ 2.9Å; D215-K231 WeakPolarHBondContact OD2-CE 3.45Å; D215-K231 IonicContact OD2-NZ 2.63Å; D215-K231 PolarHBondContact OD2-NZ 2.95Å; V217-K231 WeakPolarHBondContact O-CA 3.47Å; K218-K231 HydrophobicContact CB-CG 4.45Å |
| 232 | L | 89.8 | Confident | 81.7 | Confident | 27 Ų | 27 | 92.4 Ų | 92.4 | 14% | 0.141 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 114.5 | 172.5 | -58.2 | 178.4 | 0 | 0 | 0 | 108.7 | M189 E193 I197 G216 V217 F219 V245 | M189-L232 HydrophobicContact CE-CD1 4.28Å; M189-L232 HydrophobicContact SD-CD1 3.91Å; E193-L232 HydrophobicContact CG-CD2 4.5Å; I197-L232 HydrophobicContact CD1-CD1 3.83Å; I197-L232 HydrophobicContact CD1-CD2 4.42Å; I197-L232 HydrophobicContact CD1-CG 4.19Å; G216-L232 CarbonylContact C-O 3.55Å; G216-L232 WeakPolarHBondContact CA-O 3.25Å; V217-L232 HydrophobicContact CG1-CB 3.82Å; V217-L232 HydrophobicContact CG1-CD1 4.47Å; V217-L232 PolarHBondContact N-O 2.81Å; V217-L232 PolarHBondContact O-N 3.1Å; F219-L232 HydrophobicContact CE2-CD1 4.36Å; L232-V245 HydrophobicContact CB-CG1 4.41Å |
| 233 | S | 87.4 | Confident | 81.1 | Confident | 67 Ų | 67 | 93 Ų | 93 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | trans | -74.2 | 156.3 | 168.8 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | T235 | S233-T235 PolarHBondContact O-N 3.3Å; S233-T235 PolarHBondContact O-OG1 2.91Å | ||
| 234 | Q | 82.1 | Confident | 80.8 | Confident | 112 Ų | 112 | 92.1 Ų | 92.1 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | trans | -65.6 | 128.5 | 170 | -172.3 | 175.6 | 12.3 | 0 | 0 | 109.9 | V245 I247 | Q234-V245 WeakPolarHBondContact CA-O 3.38Å; Q234-V245 WeakPolarHBondContact CG-O 3.42Å; Q234-I247 HydrophobicContact CB-CD1 4.31Å | ||
| 235 | T | 78.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 82.9 Ų | 82.9 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -120.7 | 91.5 | -176.5 | -48.7 | 0 | 0 | 0 | 0 | 109.4 | S233 V238 V245 | S233-T235 PolarHBondContact O-N 3.3Å; S233-T235 PolarHBondContact O-OG1 2.91Å; T235-V238 HydrophobicContact CG2-CG2 3.43Å; T235-V238 VanDerWaalsContact CG2-CG2 3.43Å; T235-V245 PolarHBondContact N-O 2.65Å |
| 236 | S | 63 | Low | 80.9 | Confident | 114 Ų | 114 | 78.2 Ų | 78.2 | 80% | 0.797 | 44% | 0.435 | S | S | * | . | trans | -87.7 | 3.8 | -175.6 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 237 | N | 56.1 | Low | 80.8 | Confident | 158 Ų | 158 | 77.6 Ų | 77.6 | 85% | 0.845 | 42% | 0.424 | S | S | * | . | trans | -133 | 55.3 | -168.7 | -156.8 | 56.3 | 0 | 0 | 0 | 111.5 | ||||
| 238 | V | 61.6 | Low | 80.7 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 30% | 0.303 | 43% | 0.426 | S | S | . | . | trans | -117.6 | 133.1 | 177.5 | -165.5 | 0 | 0 | 0 | 0 | 108.9 | T235 K240 E243 A244 | T235-V238 HydrophobicContact CG2-CG2 3.43Å; T235-V238 VanDerWaalsContact CG2-CG2 3.43Å; V238-K240 PolarHBondContact O-N 3.12Å; V238-E243 HydrophobicContact CG1-CB 3.93Å; V238-A244 HydrophobicContact CG2-CB 4.33Å | ||
| 239 | D | 64.4 | Low | 80.4 | Confident | 178 Ų | 178 | 81.2 Ų | 81.2 | 95% | 0.952 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -65.9 | -1.6 | 178.6 | -56.6 | -59.8 | 0 | 0 | 0 | 114.2 | ||
| 240 | K | 70.4 | Confident | 80.1 | Confident | 107 Ų | 107 | 83.4 Ų | 83.4 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | trans | -135.7 | 119.6 | 176.6 | -45.1 | -167.1 | -149.7 | 89.8 | 0 | 110.2 | V238 D242 E243 | V238-K240 PolarHBondContact O-N 3.12Å; K240-D242 PolarHBondContact O-N 2.7Å; K240-E243 HydrophobicContact CB-CB 4.43Å; K240-E243 IonicContact NZ-OE1 2.81Å; K240-E243 PolarHBondContact NZ-OE1 2.8Å; K240-E243 IonicContact NZ-OE2 3.24Å; K240-E243 PolarHBondContact NZ-OE2 3.04Å; K240-E243 PolarHBondContact O-N 2.69Å; K240-E243 VanDerWaalsContact O-N 3.08Å | ||
| 241 | E | 72.6 | Confident | 79.9 | Confident | 153 Ų | 153 | 86.8 Ų | 86.8 | 72% | 0.715 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -62.2 | -24.4 | 175.6 | -61.8 | -176.2 | -173.5 | 0 | 0 | 113.5 | E243 A244 | E241-E243 PolarHBondContact O-N 3.35Å; E241-A244 PolarHBondContact O-N 3.05Å |
| 242 | D | 72.6 | Confident | 79.8 | Confident | 63 Ų | 63 | 87.3 Ų | 87.3 | 34% | 0.337 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -65.4 | -22.9 | 175.1 | -71.6 | -40 | 0 | 0 | 0 | 113.7 | K240 K273 | K240-D242 PolarHBondContact O-N 2.7Å; D242-K273 HydrophobicContact CB-CB 4.41Å; D242-K273 HydrophobicContact CB-CD 3.94Å; D242-K273 WeakPolarHBondContact OD1-CD 3.33Å; D242-K273 WeakPolarHBondContact OD2-CD 3.4Å; D242-K273 IonicContact OD2-NZ 2.71Å; D242-K273 PolarHBondContact OD2-NZ 2.68Å |
| 243 | E | 79.8 | Confident | 79.9 | Confident | 100 Ų | 100 | 86.5 Ų | 86.5 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -106.3 | -3.5 | -177.1 | -72.7 | 168 | -167.9 | 0 | 0 | 112.3 | V238 K240 E241 | V238-E243 HydrophobicContact CG1-CB 3.93Å; K240-E243 HydrophobicContact CB-CB 4.43Å; K240-E243 IonicContact NZ-OE1 2.81Å; K240-E243 PolarHBondContact NZ-OE1 2.8Å; K240-E243 IonicContact NZ-OE2 3.24Å; K240-E243 PolarHBondContact NZ-OE2 3.04Å; K240-E243 PolarHBondContact O-N 2.69Å; K240-E243 VanDerWaalsContact O-N 3.08Å; E241-E243 PolarHBondContact O-N 3.35Å |
| 244 | A | 84.3 | Confident | 80.1 | Confident | 15 Ų | 15 | 89.2 Ų | 89.2 | 12% | 0.124 | 47% | 0.47 | C | S | . | . | trans | -79.3 | 153.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V238 E241 | V238-A244 HydrophobicContact CG2-CB 4.33Å; E241-A244 PolarHBondContact O-N 3.05Å | ||
| 245 | V | 87.1 | Confident | 80.6 | Confident | 12 Ų | 12 | 85.1 Ų | 85.1 | 7% | 0.073 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -113.4 | 113.3 | 169.6 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | M189 L232 Q234 T235 I247 | M189-V245 HydrophobicContact CB-CG1 4.48Å; M189-V245 HydrophobicContact CB-CG2 4.19Å; L232-V245 HydrophobicContact CB-CG1 4.41Å; Q234-V245 WeakPolarHBondContact CA-O 3.38Å; Q234-V245 WeakPolarHBondContact CG-O 3.42Å; T235-V245 PolarHBondContact N-O 2.65Å; V245-I247 HydrophobicContact CG1-CG1 4.34Å |
| 246 | T | 89.6 | Confident | 81.4 | Confident | 51 Ų | 51 | 83.5 Ų | 83.5 | 31% | 0.313 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.8 | 179.1 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | K188 | K188-T246 WeakPolarHBondContact CB-OG1 3.49Å; K188-T246 PolarHBondContact N-O 2.77Å; K188-T246 PolarHBondContact O-N 3.07Å |
| 247 | I | 89.8 | Confident | 82.9 | Confident | 19 Ų | 19 | 78 Ų | 78 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.7 | -178.6 | -60.8 | 172 | 0 | 0 | 0 | 107.2 | V187 V217 Q234 V245 M249 | V187-I247 HydrophobicContact CG1-CG1 4.02Å; V187-I247 HydrophobicContact CG2-CG1 4.29Å; V187-I247 HydrophobicContact CG2-CG2 4.37Å; V217-I247 HydrophobicContact CB-CD1 4.39Å; V217-I247 HydrophobicContact CG1-CD1 4.46Å; Q234-I247 HydrophobicContact CB-CD1 4.31Å; V245-I247 HydrophobicContact CG1-CG1 4.34Å; I247-M249 HydrophobicContact CG2-CB 4.16Å |
| 248 | E | 89.9 | Confident | 84.8 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 111.7 | 170.7 | -69.6 | 172.8 | -158.5 | 0 | 0 | 106.6 | C185 V186 | C185-E248 CarbonylContact C-O 3.6Å; C185-E248 WeakPolarHBondContact CA-O 3.36Å; V186-E248 HydrophobicContact CB-CB 4.46Å; V186-E248 PolarHBondContact N-O 2.79Å; V186-E248 PolarHBondContact O-N 2.85Å |
| 249 | M | 88.4 | Confident | 86.3 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 113.6 | -171.9 | -174.2 | -164.8 | 74 | 0 | 0 | 110.4 | C185 A213 K214 I247 E251 P252 | C185-M249 HydrophobicContact CB-CB 4.46Å; C185-M249 HydrophobicContact CB-CG 4.13Å; A213-M249 VanDerWaalsContact CA-SD 3.57Å; K214-M249 HydrophobicContact CB-CE 4.47Å; K214-M249 HydrophobicContact CG-CE 3.57Å; I247-M249 HydrophobicContact CG2-CB 4.16Å; M249-E251 WeakPolarHBondContact CG-O 3.37Å; M249-P252 HydrophobicContact SD-CB 4.47Å |
| 250 | N | 88.1 | Confident | 87.7 | Confident | 137 Ų | 137 | 65.1 Ų | 65.1 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -81.4 | -47.9 | 170.9 | -61.7 | -45.6 | 0 | 0 | 0 | 110 | S184 | S184-N250 PolarHBondContact O-N 2.75Š|
| 251 | E | 88.9 | Confident | 88.9 | Confident | 118 Ų | 118 | 61.3 Ų | 61.3 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -134.5 | 148.8 | -179.6 | -57.3 | -176.3 | 136.9 | 0 | 0 | 110.8 | S184 M249 | S184-E251 PolarHBondContact O-N 2.71Å; M249-E251 WeakPolarHBondContact CG-O 3.37Å |
| 252 | P | 90.3 | Very high | 90 | Very high | 103 Ų | 103 | 54 Ų | 54 | 67% | 0.669 | 28% | 0.283 | S | S | * | . | trans | -70.1 | 132.6 | 176.1 | 30.3 | -34.2 | 0 | 0 | 0 | 110.6 | C212 M249 | C212-P252 WeakPolarHBondContact O-CA 3.31Å; M249-P252 HydrophobicContact SD-CB 4.47Å | ||
| 253 | V | 91.6 | Very high | 91.1 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.6 | -178.7 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | C185 S211 C212 L255 M279 | C185-V253 HydrophobicContact CB-CG2 4.28Å; S211-V253 CarbonylContact C-O 3.57Å; S211-V253 WeakPolarHBondContact CA-O 3.24Å; C212-V253 PolarHBondContact N-O 3.26Å; C212-V253 PolarHBondContact O-N 2.78Å; V253-L255 HydrophobicContact CG1-CD1 3.65Å; V253-L255 HydrophobicContact CG1-CG 3.78Å; V253-M279 HydrophobicContact CG1-CB 4.19Å |
| 254 | Q | 92.5 | Very high | 91.8 | Very high | 124 Ų | 124 | 50.4 Ų | 50.4 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 114.2 | 174.7 | -179.7 | 175.3 | -20.3 | 0 | 0 | 109.1 | M209 I210 | M209-Q254 HydrophobicContact CG-CG 4.04Å; M209-Q254 HydrophobicContact SD-CG 4.2Å; M209-Q254 PolarHBondContact SD-NE2 2.67Å; I210-Q254 WeakPolarHBondContact O-CA 3.46Å |
| 255 | L | 93.8 | Very high | 92.3 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 150.9 | -173.8 | -67.6 | 171 | 0 | 0 | 0 | 110.8 | M209 I210 V253 F257 S280 P303 | M209-L255 CarbonylContact C-O 3.57Å; M209-L255 WeakPolarHBondContact CA-O 3.45Å; I210-L255 PolarHBondContact N-O 2.98Å; I210-L255 PolarHBondContact O-N 3.22Å; V253-L255 HydrophobicContact CG1-CD1 3.65Å; V253-L255 HydrophobicContact CG1-CG 3.78Å; L255-F257 HydrophobicContact CB-CD2 4.43Å; L255-F257 HydrophobicContact CB-CE2 3.47Å; L255-F257 VanDerWaalsContact CB-CE2 3.47Å; L255-F257 HydrophobicContact CB-CZ 3.49Å; L255-F257 VanDerWaalsContact CB-CZ 3.49Å; L255-F257 HydrophobicContact CD1-CE2 4.41Å; L255-F257 HydrophobicContact CD1-CZ 3.79Å; L255-F257 HydrophobicContact CG-CZ 4.29Å; L255-S280 WeakPolarHBondContact CD1-O 3.14Å; L255-P303 HydrophobicContact CB-CB 4.46Å; L255-P303 HydrophobicContact CD2-CB 4.15Å |
| 256 | I | 94.8 | Very high | 92.8 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.5 | -179.1 | -56.7 | 177 | 0 | 0 | 0 | 109.3 | A207 V208 M209 P303 K304 D306 | A207-I256 HydrophobicContact CB-CG2 3.9Å; V208-I256 WeakPolarHBondContact O-CA 3.48Å; M209-I256 HydrophobicContact CB-CG1 4.18Å; M209-I256 HydrophobicContact CE-CD1 3.82Å; M209-I256 HydrophobicContact CE-CG1 4.01Å; M209-I256 HydrophobicContact CG-CG1 4.3Å; I256-P303 CarbonylContact O-C 3.54Å; I256-P303 WeakPolarHBondContact O-CA 3.4Å; I256-K304 HydrophobicContact CB-CB 4.29Å; I256-K304 HydrophobicContact CG2-CB 4.16Å; I256-K304 HydrophobicContact CG2-CD 4.36Å; I256-K304 PolarHBondContact O-N 2.86Å; I256-D306 HydrophobicContact CD1-CB 4.4Å; I256-D306 VanDerWaalsContact CD1-OD2 3.24Å; I256-D306 WeakPolarHBondContact CD1-OD2 3.43Å |
| 257 | F | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.2 | -179.4 | -59.6 | -76.6 | 0 | 0 | 0 | 111.8 | A207 V208 I210 L255 L259 L262 L285 L301 P303 | A207-F257 CarbonylContact C-O 3.58Å; A207-F257 VanDerWaalsContact CA-O 3.24Å; A207-F257 WeakPolarHBondContact CA-O 3.37Å; V208-F257 PolarHBondContact N-O 2.78Å; V208-F257 PolarHBondContact O-N 3.35Å; I210-F257 HydrophobicContact CB-CD2 4.48Å; I210-F257 HydrophobicContact CB-CE2 4.43Å; I210-F257 HydrophobicContact CD1-CD2 3.67Å; I210-F257 HydrophobicContact CD1-CE2 4.05Å; I210-F257 HydrophobicContact CG1-CD2 3.97Å; I210-F257 HydrophobicContact CG1-CE2 4.36Å; L255-F257 HydrophobicContact CB-CD2 4.43Å; L255-F257 HydrophobicContact CB-CE2 3.47Å; L255-F257 VanDerWaalsContact CB-CE2 3.47Å; L255-F257 HydrophobicContact CB-CZ 3.49Å; L255-F257 VanDerWaalsContact CB-CZ 3.49Å; L255-F257 HydrophobicContact CD1-CE2 4.41Å; L255-F257 HydrophobicContact CD1-CZ 3.79Å; L255-F257 HydrophobicContact CG-CZ 4.29Å; F257-L259 PolarHBondContact O-N 3.5Å; F257-L262 HydrophobicContact CB-CD1 4.23Å; F257-L285 HydrophobicContact CD1-CB 4.08Å; F257-L285 HydrophobicContact CD1-CD2 4.14Å; F257-L285 HydrophobicContact CD2-CD2 4Å; F257-L285 HydrophobicContact CE1-CB 3.4Å; F257-L285 HydrophobicContact CE1-CD2 4.19Å; F257-L285 HydrophobicContact CE1-CG 4.44Å; F257-L285 HydrophobicContact CE2-CB 4.15Å; F257-L285 HydrophobicContact CE2-CD2 4.02Å; F257-L285 HydrophobicContact CG-CD2 4.05Å; F257-L285 HydrophobicContact CZ-CB 3.45Å; F257-L285 VanDerWaalsContact CZ-CB 3.45Å; F257-L285 HydrophobicContact CZ-CD2 4.14Å; F257-L285 HydrophobicContact CZ-CG 4.35Å; F257-L301 HydrophobicContact CB-CD2 4.03Å; F257-L301 HydrophobicContact CD1-CD2 4.13Å; F257-L301 HydrophobicContact CD1-CG 4.19Å; F257-L301 HydrophobicContact CG-CD2 4.43Å; F257-P303 HydrophobicContact CD1-CB 4.38Å; F257-P303 HydrophobicContact CE1-CB 3.77Å; F257-P303 HydrophobicContact CZ-CB 4.25Å |
| 258 | A | 94.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 119.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N260 Y261 | A258-N260 VanDerWaalsContact C-N 3.26Å; A258-N260 PolarHBondContact O-N 3.41Å; A258-Y261 HydrophobicContact CB-CD2 3.98Å; A258-Y261 PolarHBondContact O-N 3.38Å |
| 259 | L | 94.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -28 | -175.5 | -91 | 165.1 | 0 | 0 | 0 | 113.2 | C198 L201 G205 D206 V208 A221 F257 Y261 L262 N263 | C198-L259 HydrophobicContact CB-CD2 4.25Å; L201-L259 HydrophobicContact CB-CD1 4.02Å; G205-L259 VanDerWaalsContact O-CD1 3.23Å; G205-L259 WeakPolarHBondContact O-CD1 3.24Å; D206-L259 PolarHBondContact O-N 3.06Å; V208-L259 HydrophobicContact CB-CD1 3.99Å; V208-L259 HydrophobicContact CB-CD2 3.88Å; V208-L259 HydrophobicContact CB-CG 3.79Å; V208-L259 HydrophobicContact CG1-CD2 3.69Å; V208-L259 HydrophobicContact CG1-CG 3.81Å; A221-L259 HydrophobicContact CB-CD1 4.4Å; F257-L259 PolarHBondContact O-N 3.5Å; L259-Y261 PolarHBondContact O-N 2.89Å; L259-L262 HydrophobicContact CD2-CD1 4.32Å; L259-L262 PolarHBondContact O-N 2.7Å; L259-N263 PolarHBondContact O-N 3.19Å; L259-N263 PolarHBondContact O-ND2 3.42Å; L259-N263 VanDerWaalsContact O-ND2 3.14Å |
| 260 | N | 93.8 | Very high | 93.8 | Very high | 94 Ų | 94 | 45.9 Ų | 45.9 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 176.7 | -167 | 30.1 | 0 | 0 | 0 | 112.4 | A258 N263 F264 | A258-N260 VanDerWaalsContact C-N 3.26Å; A258-N260 PolarHBondContact O-N 3.41Å; N260-N263 WeakPolarHBondContact O-CB 3.46Å; N260-N263 PolarHBondContact O-N 3.11Å; N260-F264 WeakPolarHBondContact O-CG 3.44Å; N260-F264 PolarHBondContact O-N 2.89Å; N260-F264 VanDerWaalsContact O-N 3.14Å; N260-F264 WeakPolarHBondContact OD1-CZ 3.41Å |
| 261 | Y | 95.3 | Very high | 94 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.4 | -75.5 | -85.5 | 0 | 0 | 0 | 112.1 | L72 D91 S93 V95 A258 L259 N263 F264 F265 L301 | L72-Y261 HydrophobicContact CD1-CD1 3.84Å; L72-Y261 HydrophobicContact CD1-CE1 3.98Å; D91-Y261 HydrophobicContact CB-CE1 4.17Å; D91-Y261 WeakPolarHBondContact OD2-CE1 3.47Å; D91-Y261 PolarHBondContact OD2-OH 3.26Å; S93-Y261 WeakPolarHBondContact CB-OH 3.45Å; S93-Y261 PolarHBondContact OG-OH 2.61Å; V95-Y261 HydrophobicContact CB-CE2 4.46Å; V95-Y261 HydrophobicContact CG1-CE2 4.24Å; A258-Y261 HydrophobicContact CB-CD2 3.98Å; A258-Y261 PolarHBondContact O-N 3.38Å; L259-Y261 PolarHBondContact O-N 2.89Å; Y261-N263 VanDerWaalsContact C-N 3.3Å; Y261-N263 PolarHBondContact O-N 2.84Å; Y261-F264 HydrophobicContact CD1-CD2 4.49Å; Y261-F264 WeakPolarHBondContact O-CA 3.33Å; Y261-F264 WeakPolarHBondContact O-CB 3.3Å; Y261-F264 PolarHBondContact O-N 3.02Å; Y261-F265 WeakPolarHBondContact O-CD1 3.27Å; Y261-F265 VanDerWaalsContact O-CG 3.3Å; Y261-F265 WeakPolarHBondContact O-CG 3.42Å; Y261-F265 PolarHBondContact O-N 3.49Å; Y261-L301 HydrophobicContact CD1-CD1 4.19Å; Y261-L301 HydrophobicContact CD2-CD1 4.04Å; Y261-L301 HydrophobicContact CG-CD1 3.73Å |
| 262 | L | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.8 | -59.2 | -178.7 | 0 | 0 | 0 | 111.6 | F194 C198 V208 F257 L259 F264 F265 T266 L285 L301 | F194-L262 HydrophobicContact CZ-CD2 4.46Å; C198-L262 HydrophobicContact CB-CB 4.5Å; V208-L262 HydrophobicContact CG1-CD1 3.44Å; V208-L262 VanDerWaalsContact CG1-CD1 3.44Å; F257-L262 HydrophobicContact CB-CD1 4.23Å; L259-L262 HydrophobicContact CD2-CD1 4.32Å; L259-L262 PolarHBondContact O-N 2.7Å; L262-F264 VanDerWaalsContact C-N 3.27Å; L262-F264 PolarHBondContact O-N 2.75Å; L262-F265 HydrophobicContact CD2-CD2 3.82Å; L262-F265 HydrophobicContact CD2-CE2 3.93Å; L262-F265 PolarHBondContact O-N 2.89Å; L262-F265 VanDerWaalsContact O-N 3.15Å; L262-T266 VanDerWaalsContact O-CG2 3.25Å; L262-T266 WeakPolarHBondContact O-CG2 3.32Å; L262-T266 PolarHBondContact O-N 3.34Å; L262-L285 HydrophobicContact CD2-CD2 3.9Å; L262-L301 HydrophobicContact CD2-CD2 3.74Å; L262-L301 HydrophobicContact CG-CD2 4.17Å |
| 263 | N | 95.2 | Very high | 94.4 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -32.4 | 172.4 | -71.1 | -41.6 | 0 | 0 | 0 | 112.6 | C198 S202 L259 N260 Y261 T266 | C198-N263 WeakPolarHBondContact CB-OD1 3.37Å; S202-N263 PolarHBondContact OG-ND2 2.83Å; L259-N263 PolarHBondContact O-N 3.19Å; L259-N263 PolarHBondContact O-ND2 3.42Å; L259-N263 VanDerWaalsContact O-ND2 3.14Å; N260-N263 WeakPolarHBondContact O-CB 3.46Å; N260-N263 PolarHBondContact O-N 3.11Å; Y261-N263 VanDerWaalsContact C-N 3.3Å; Y261-N263 PolarHBondContact O-N 2.84Å; N263-T266 PolarHBondContact O-OG1 3.45Å |
| 264 | F | 94.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 38 Ų | 38 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -45.5 | 171 | -57.6 | -22.7 | 0 | 0 | 0 | 111.4 | L72 N260 Y261 L262 T266 K267 | L72-F264 HydrophobicContact CD1-CD2 4.12Å; N260-F264 WeakPolarHBondContact O-CG 3.44Å; N260-F264 PolarHBondContact O-N 2.89Å; N260-F264 VanDerWaalsContact O-N 3.14Å; N260-F264 WeakPolarHBondContact OD1-CZ 3.41Å; Y261-F264 HydrophobicContact CD1-CD2 4.49Å; Y261-F264 WeakPolarHBondContact O-CA 3.33Å; Y261-F264 WeakPolarHBondContact O-CB 3.3Å; Y261-F264 PolarHBondContact O-N 3.02Å; L262-F264 VanDerWaalsContact C-N 3.27Å; L262-F264 PolarHBondContact O-N 2.75Å; F264-T266 VanDerWaalsContact C-N 3.28Å; F264-T266 PolarHBondContact O-N 3.37Å; F264-K267 VanDerWaalsContact O-CB 3.25Å; F264-K267 WeakPolarHBondContact O-CB 3.24Å; F264-K267 WeakPolarHBondContact O-CG 3.39Å; F264-K267 PolarHBondContact O-N 2.87Å; F264-K267 VanDerWaalsContact O-N 3.09Å |
| 265 | F | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -34.1 | 179.9 | -51.1 | -18.6 | 0 | 0 | 0 | 112.4 | L72 S96 Y261 L262 K267 A268 V287 Y289 Y299 L301 | L72-F265 HydrophobicContact CD1-CE1 4.39Å; L72-F265 HydrophobicContact CD2-CE1 4.14Å; S96-F265 WeakPolarHBondContact OG-CE1 3.34Å; S96-F265 VanDerWaalsContact OG-CZ 3.29Å; S96-F265 WeakPolarHBondContact OG-CZ 2.88Å; Y261-F265 WeakPolarHBondContact O-CD1 3.27Å; Y261-F265 VanDerWaalsContact O-CG 3.3Å; Y261-F265 WeakPolarHBondContact O-CG 3.42Å; Y261-F265 PolarHBondContact O-N 3.49Å; L262-F265 HydrophobicContact CD2-CD2 3.82Å; L262-F265 HydrophobicContact CD2-CE2 3.93Å; L262-F265 PolarHBondContact O-N 2.89Å; L262-F265 VanDerWaalsContact O-N 3.15Å; F265-K267 PolarHBondContact O-N 2.87Å; F265-K267 VanDerWaalsContact O-N 3.07Å; F265-A268 VanDerWaalsContact O-CB 3.3Å; F265-A268 WeakPolarHBondContact O-CB 3.45Å; F265-A268 PolarHBondContact O-N 2.94Å; F265-V287 HydrophobicContact CD2-CB 4.23Å; F265-V287 HydrophobicContact CD2-CG2 3.9Å; F265-V287 HydrophobicContact CE2-CG2 4.33Å; F265-Y289 WeakPolarHBondContact O-CE2 3.46Å; F265-Y289 PolarHBondContact O-OH 2.84Å; F265-Y299 HydrophobicContact CB-CD1 4.45Å; F265-Y299 HydrophobicContact CB-CD2 3.78Å; F265-Y299 HydrophobicContact CB-CE2 4.06Å; F265-Y299 HydrophobicContact CB-CG 3.99Å; F265-Y299 AromaticContact CD1-CD1 3.23Å; F265-Y299 HydrophobicContact CD1-CD1 3.23Å; F265-Y299 HydrophobicContact CD1-CD2 4.07Å; F265-Y299 AromaticContact CD1-CE1 3.81Å; F265-Y299 HydrophobicContact CD1-CE1 3.81Å; F265-Y299 AromaticContact CD1-CG 3.36Å; F265-Y299 HydrophobicContact CD1-CG 3.36Å; F265-Y299 HydrophobicContact CD2-CG 4.19Å; F265-Y299 AromaticContact CE1-CD1 3.63Å; F265-Y299 HydrophobicContact CE1-CD1 3.63Å; F265-Y299 HydrophobicContact CE1-CE1 4.49Å; F265-Y299 AromaticContact CE1-CG 3.86Å; F265-Y299 HydrophobicContact CE1-CG 3.86Å; F265-Y299 AromaticContact CG-CD1 3.94Å; F265-Y299 HydrophobicContact CG-CD1 3.94Å; F265-Y299 AromaticContact CG-CD2 3.91Å; F265-Y299 HydrophobicContact CG-CD2 3.91Å; F265-Y299 AromaticContact CG-CG 3.58Å; F265-Y299 HydrophobicContact CG-CG 3.58Å; F265-Y299 HydrophobicContact CZ-CG 4.45Å; F265-L301 HydrophobicContact CE2-CB 3.81Å; F265-L301 HydrophobicContact CE2-CD2 3.9Å; F265-L301 HydrophobicContact CE2-CG 4.36Å; F265-L301 HydrophobicContact CZ-CB 3.94Å; F265-L301 HydrophobicContact CZ-CD1 4.35Å; F265-L301 HydrophobicContact CZ-CD2 4.26Å; F265-L301 HydrophobicContact CZ-CG 4.41Å |
| 266 | T | 95.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 32 Ų | 32 | 9% | 0.092 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -65.8 | -8 | 177 | 65 | 0 | 0 | 0 | 0 | 114.3 | F194 A195 C198 L262 N263 F264 A268 T269 | F194-T266 HydrophobicContact CD1-CG2 3.76Å; F194-T266 HydrophobicContact CE1-CG2 3.79Å; A195-T266 HydrophobicContact CB-CG2 3.9Å; C198-T266 HydrophobicContact CB-CG2 4.2Å; L262-T266 VanDerWaalsContact O-CG2 3.25Å; L262-T266 WeakPolarHBondContact O-CG2 3.32Å; L262-T266 PolarHBondContact O-N 3.34Å; N263-T266 PolarHBondContact O-OG1 3.45Å; F264-T266 VanDerWaalsContact C-N 3.28Å; F264-T266 PolarHBondContact O-N 3.37Å; T266-A268 PolarHBondContact O-N 2.86Å; T266-T269 VanDerWaalsContact O-CB 3.26Å; T266-T269 WeakPolarHBondContact O-CB 3.05Å; T266-T269 PolarHBondContact O-N 2.95Å; T266-T269 VanDerWaalsContact O-N 3.16Å; T266-T269 PolarHBondContact O-OG1 3.12Å; T266-T269 VanDerWaalsContact O-OG1 3.14Å |
| 267 | K | 94.6 | Very high | 94.9 | Very high | 68 Ų | 68 | 30.7 Ų | 30.7 | 30% | 0.296 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -67.8 | -16.6 | 168.5 | -61.4 | 171.7 | -174 | 175.7 | 0 | 112.3 | A68 D71 F264 F265 P270 | A68-K267 HydrophobicContact CB-CB 4.4Å; D71-K267 HydrophobicContact CB-CD 4.39Å; D71-K267 VanDerWaalsContact CG-NZ 3.31Å; D71-K267 WeakPolarHBondContact OD2-CD 3.26Å; D71-K267 WeakPolarHBondContact OD2-CE 3.38Å; D71-K267 IonicContact OD2-NZ 2.67Å; D71-K267 PolarHBondContact OD2-NZ 3.36Å; F264-K267 VanDerWaalsContact O-CB 3.25Å; F264-K267 WeakPolarHBondContact O-CB 3.24Å; F264-K267 WeakPolarHBondContact O-CG 3.39Å; F264-K267 PolarHBondContact O-N 2.87Å; F264-K267 VanDerWaalsContact O-N 3.09Å; F265-K267 PolarHBondContact O-N 2.87Å; F265-K267 VanDerWaalsContact O-N 3.07Å; K267-P270 WeakPolarHBondContact O-CD 3.24Å |
| 268 | A | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -78 | -10.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A68 F265 T266 P270 L271 Y289 Y299 | A68-A268 HydrophobicContact CB-CB 4Å; F265-A268 VanDerWaalsContact O-CB 3.3Å; F265-A268 WeakPolarHBondContact O-CB 3.45Å; F265-A268 PolarHBondContact O-N 2.94Å; T266-A268 PolarHBondContact O-N 2.86Å; A268-P270 VanDerWaalsContact C-N 3.27Å; A268-P270 VanDerWaalsContact O-N 3.09Å; A268-L271 HydrophobicContact CB-CD1 4.09Å; A268-L271 VanDerWaalsContact O-CB 3.26Å; A268-L271 WeakPolarHBondContact O-CB 3.43Å; A268-L271 PolarHBondContact O-N 3.35Å; A268-Y289 HydrophobicContact CB-CD1 3.9Å; A268-Y289 HydrophobicContact CB-CD2 3.53Å; A268-Y289 HydrophobicContact CB-CE1 4.13Å; A268-Y289 HydrophobicContact CB-CE2 3.78Å; A268-Y289 HydrophobicContact CB-CG 3.59Å; A268-Y299 HydrophobicContact CB-CE2 3.95Å |
| 269 | T | 95.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 30.6 Ų | 30.6 | 18% | 0.184 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -34 | 178.5 | -72 | 0 | 0 | 0 | 0 | 115.3 | S191 A195 T266 L271 | S191-T269 PolarHBondContact O-OG1 2.95Å; S191-T269 VanDerWaalsContact O-OG1 3.1Å; A195-T269 HydrophobicContact CB-CG2 4.35Å; T266-T269 VanDerWaalsContact O-CB 3.26Å; T266-T269 WeakPolarHBondContact O-CB 3.05Å; T266-T269 PolarHBondContact O-N 2.95Å; T266-T269 VanDerWaalsContact O-N 3.16Å; T266-T269 PolarHBondContact O-OG1 3.12Å; T266-T269 VanDerWaalsContact O-OG1 3.14Å; T269-L271 PolarHBondContact O-N 3.14Å |
| 270 | P | 93.9 | Very high | 94.7 | Very high | 74 Ų | 74 | 31.2 Ų | 31.2 | 48% | 0.481 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10.8 | 173.9 | -21.8 | 35.6 | 0 | 0 | 0 | 115.9 | K64 K267 A268 | K64-P270 HydrophobicContact CD-CB 4.15Å; K64-P270 WeakPolarHBondContact CD-O 3.36Å; K64-P270 VanDerWaalsContact CE-O 3.28Å; K64-P270 WeakPolarHBondContact CE-O 3.33Å; K64-P270 HydrophobicContact CG-CB 4.16Å; K64-P270 PolarHBondContact NZ-O 2.89Å; K267-P270 WeakPolarHBondContact O-CD 3.24Å; A268-P270 VanDerWaalsContact C-N 3.27Å; A268-P270 VanDerWaalsContact O-N 3.09Å |
| 271 | L | 92.5 | Very high | 94.3 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 12% | 0.12 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -35.1 | 177.4 | -65.9 | 165 | 0 | 0 | 0 | 112.5 | I61 K64 V65 A68 A268 T269 I291 I297 | I61-L271 HydrophobicContact CG2-CD2 4.27Å; K64-L271 HydrophobicContact CB-CD2 3.43Å; K64-L271 VanDerWaalsContact CB-CD2 3.43Å; K64-L271 HydrophobicContact CB-CG 3.96Å; K64-L271 HydrophobicContact CD-CD2 4.11Å; K64-L271 HydrophobicContact CG-CD2 4.45Å; V65-L271 HydrophobicContact CG2-CD1 4.21Å; V65-L271 HydrophobicContact CG2-CD2 3.8Å; A68-L271 HydrophobicContact CB-CD1 4.47Å; A268-L271 HydrophobicContact CB-CD1 4.09Å; A268-L271 VanDerWaalsContact O-CB 3.26Å; A268-L271 WeakPolarHBondContact O-CB 3.43Å; A268-L271 PolarHBondContact O-N 3.35Å; T269-L271 PolarHBondContact O-N 3.14Å; L271-I291 HydrophobicContact CD1-CG1 4.37Å; L271-I291 HydrophobicContact CD2-CG1 4.45Å; L271-I291 HydrophobicContact CD2-CG2 4.36Å; L271-I297 HydrophobicContact CD1-CD1 3.48Å; L271-I297 VanDerWaalsContact CD1-CD1 3.48Å; L271-I297 HydrophobicContact CD1-CG1 4.14Å |
| 272 | S | 94.3 | Very high | 93.7 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | trans | -143.3 | 136.9 | -172.8 | -145.6 | 0 | 0 | 0 | 0 | 111.5 | S191 T274 K290 | S191-S272 WeakPolarHBondContact CB-O 3.45Å; S191-S272 PolarHBondContact OG-O 3.22Å; S272-T274 WeakPolarHBondContact CB-O 3.34Å; S272-T274 PolarHBondContact O-N 2.82Å; S272-T274 PolarHBondContact OG-O 3.29Å; S272-K290 WeakPolarHBondContact CB-O 3.39Å; S272-K290 PolarHBondContact OG-O 2.72Å | ||
| 273 | K | 93.7 | Very high | 93.4 | Very high | 140 Ų | 140 | 37.2 Ų | 37.2 | 61% | 0.609 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -69.4 | -22.9 | 176.5 | -61.1 | 176.7 | -172.3 | 176.2 | 0 | 113.2 | P190 S191 D242 | P190-K273 WeakPolarHBondContact CA-O 3.24Å; S191-K273 PolarHBondContact N-O 3.41Å; S191-K273 PolarHBondContact OG-O 3.15Å; S191-K273 VanDerWaalsContact OG-O 3.06Å; D242-K273 HydrophobicContact CB-CB 4.41Å; D242-K273 HydrophobicContact CB-CD 3.94Å; D242-K273 WeakPolarHBondContact OD1-CD 3.33Å; D242-K273 WeakPolarHBondContact OD2-CD 3.4Å; D242-K273 IonicContact OD2-NZ 2.71Å; D242-K273 PolarHBondContact OD2-NZ 2.68Å |
| 274 | T | 94.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.4 | 179.4 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | M189 S272 | M189-T274 CarbonylContact O-C 3.53Å; M189-T274 VanDerWaalsContact O-CA 3.24Å; M189-T274 WeakPolarHBondContact O-CA 3.34Å; M189-T274 WeakPolarHBondContact O-CB 3.45Å; S272-T274 WeakPolarHBondContact CB-O 3.34Å; S272-T274 PolarHBondContact O-N 2.82Å; S272-T274 PolarHBondContact OG-O 3.29Å |
| 275 | V | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145.2 | 171.7 | 64.3 | 0 | 0 | 0 | 0 | 108.2 | K188 M189 F194 L277 V287 Y289 | K188-V275 WeakPolarHBondContact CA-O 3.3Å; M189-V275 HydrophobicContact CG-CG1 3.68Å; M189-V275 PolarHBondContact N-O 3.49Å; M189-V275 PolarHBondContact O-N 3.37Å; F194-V275 HydrophobicContact CB-CG1 3.7Å; F194-V275 HydrophobicContact CD1-CG1 4.03Å; F194-V275 HydrophobicContact CD1-CG2 4.4Å; F194-V275 HydrophobicContact CG-CG1 3.9Å; V275-L277 HydrophobicContact CG2-CD2 4.18Å; V275-V287 HydrophobicContact CG2-CG1 3.51Å; V275-Y289 HydrophobicContact CB-CD1 4.23Å; V275-Y289 HydrophobicContact CB-CE1 3.84Å; V275-Y289 HydrophobicContact CG2-CD1 4.19Å; V275-Y289 HydrophobicContact CG2-CD2 4.23Å; V275-Y289 HydrophobicContact CG2-CE1 3.76Å; V275-Y289 HydrophobicContact CG2-CE2 3.81Å; V275-Y289 HydrophobicContact CG2-CG 4.41Å |
| 276 | T | 96.4 | Very high | 93.2 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 15% | 0.153 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.4 | 173.5 | -48.7 | 0 | 0 | 0 | 0 | 109.5 | V186 V187 K188 V287 E288 | V186-T276 HydrophobicContact CG1-CG2 3.57Å; V187-T276 CarbonylContact O-C 3.58Å; V187-T276 WeakPolarHBondContact O-CA 3.26Å; K188-T276 HydrophobicContact CB-CG2 4.45Å; T276-V287 CarbonylContact O-C 3.59Å; T276-V287 WeakPolarHBondContact O-CA 3.38Å; T276-E288 PolarHBondContact N-O 3.44Å; T276-E288 PolarHBondContact O-N 2.96Å |
| 277 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 113.4 | 177 | -51.7 | 180 | 0 | 0 | 0 | 108.3 | V186 V187 M189 F194 F219 V275 L285 V286 V287 | V186-L277 CarbonylContact C-O 3.59Å; V186-L277 WeakPolarHBondContact CA-O 3.19Å; V187-L277 HydrophobicContact CB-CB 4.44Å; V187-L277 PolarHBondContact N-O 2.93Å; V187-L277 PolarHBondContact O-N 2.67Å; M189-L277 HydrophobicContact CE-CD1 3.7Å; M189-L277 HydrophobicContact CE-CG 4.46Å; M189-L277 HydrophobicContact SD-CD1 4.43Å; F194-L277 HydrophobicContact CD2-CD1 4.05Å; F194-L277 HydrophobicContact CD2-CD2 4.47Å; F194-L277 HydrophobicContact CE1-CD2 4.33Å; F194-L277 HydrophobicContact CE2-CD1 3.74Å; F194-L277 HydrophobicContact CE2-CD2 3.91Å; F194-L277 HydrophobicContact CE2-CG 4.45Å; F194-L277 HydrophobicContact CZ-CD1 4.48Å; F194-L277 HydrophobicContact CZ-CD2 3.83Å; F219-L277 HydrophobicContact CE1-CD1 4.41Å; F219-L277 HydrophobicContact CZ-CD1 4.08Å; V275-L277 HydrophobicContact CG2-CD2 4.18Å; L277-L285 HydrophobicContact CB-CD1 4.14Å; L277-V286 CarbonylContact C-O 3.59Å; L277-V286 WeakPolarHBondContact CA-O 3.37Å; L277-V287 HydrophobicContact CD2-CB 4.25Å; L277-V287 HydrophobicContact CD2-CG1 3.83Å; L277-V287 HydrophobicContact CD2-CG2 3.85Å |
| 278 | S | 94.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.1 | 177 | -50.9 | 0 | 0 | 0 | 0 | 109.9 | V286 | S278-V286 PolarHBondContact N-O 2.79Å; S278-V286 PolarHBondContact O-N 3.38Å |
| 279 | M | 93.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 141.1 | -168.4 | -64.4 | 175.7 | -70.5 | 0 | 0 | 111.2 | S184 C185 V187 I210 C212 V253 L285 | S184-M279 PolarHBondContact N-O 3.38Å; S184-M279 VanDerWaalsContact N-O 3.09Å; C185-M279 PolarHBondContact N-O 3.36Å; C185-M279 PolarHBondContact O-N 2.82Å; V187-M279 HydrophobicContact CG2-CE 4Å; I210-M279 HydrophobicContact CB-SD 4.33Å; I210-M279 HydrophobicContact CG2-CE 4.22Å; I210-M279 HydrophobicContact CG2-SD 3.74Å; C212-M279 HydrophobicContact CB-CE 4.19Å; V253-M279 HydrophobicContact CG1-CB 4.19Å; M279-L285 HydrophobicContact CG-CD1 3.58Å; M279-L285 HydrophobicContact SD-CD1 4.25Å |
| 280 | S | 91.5 | Very high | 93.5 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | trans | -149.4 | 159.8 | 170.9 | -177 | 0 | 0 | 0 | 0 | 108.6 | S184 L255 | S184-S280 PolarHBondContact OG-OG 3.26Å; L255-S280 WeakPolarHBondContact CD1-O 3.14Å | ||
| 281 | A | 86 | Confident | 93.4 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 46% | 0.463 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 148.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I283 | A281-I283 PolarHBondContact O-N 3.47Š|
| 282 | D | 82.8 | Confident | 93 | Very high | 163 Ų | 163 | 36.1 Ų | 36.1 | 87% | 0.872 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 10.6 | 175.1 | -50.3 | -37.5 | 0 | 0 | 0 | 116.9 | ||
| 283 | I | 88.7 | Confident | 92.5 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -124.1 | 139.9 | -178.4 | -64.6 | 175.1 | 0 | 0 | 0 | 109.5 | Q181 Y183 A281 | Q181-I283 HydrophobicContact CB-CD1 4.43Å; Y183-I283 HydrophobicContact CE1-CG2 4.05Å; A281-I283 PolarHBondContact O-N 3.47Å |
| 284 | P | 91.3 | Very high | 92.3 | Very high | 52 Ų | 52 | 35.9 Ų | 35.9 | 34% | 0.338 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -54.9 | 141 | 173.7 | -27.5 | 36.2 | 0 | 0 | 0 | 113.4 | V286 L301 | P284-V286 PolarHBondContact O-N 3.08Å; P284-L301 CarbonylContact C-O 3.56Å; P284-L301 WeakPolarHBondContact CA-O 3.33Å; P284-L301 WeakPolarHBondContact CB-O 3.47Å |
| 285 | L | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 128.1 | 168.8 | 161.6 | 67.5 | 0 | 0 | 0 | 109.2 | I210 F257 L262 L277 M279 V287 Y300 L301 | I210-L285 HydrophobicContact CD1-CD2 4.21Å; F257-L285 HydrophobicContact CD1-CB 4.08Å; F257-L285 HydrophobicContact CD1-CD2 4.14Å; F257-L285 HydrophobicContact CD2-CD2 4Å; F257-L285 HydrophobicContact CE1-CB 3.4Å; F257-L285 HydrophobicContact CE1-CD2 4.19Å; F257-L285 HydrophobicContact CE1-CG 4.44Å; F257-L285 HydrophobicContact CE2-CB 4.15Å; F257-L285 HydrophobicContact CE2-CD2 4.02Å; F257-L285 HydrophobicContact CG-CD2 4.05Å; F257-L285 HydrophobicContact CZ-CB 3.45Å; F257-L285 VanDerWaalsContact CZ-CB 3.45Å; F257-L285 HydrophobicContact CZ-CD2 4.14Å; F257-L285 HydrophobicContact CZ-CG 4.35Å; L262-L285 HydrophobicContact CD2-CD2 3.9Å; L277-L285 HydrophobicContact CB-CD1 4.14Å; M279-L285 HydrophobicContact CG-CD1 3.58Å; M279-L285 HydrophobicContact SD-CD1 4.25Å; L285-V287 HydrophobicContact CD1-CG2 4.19Å; L285-V287 HydrophobicContact CD2-CG2 3.99Å; L285-V287 HydrophobicContact CG-CG2 3.84Å; L285-Y300 CarbonylContact O-C 3.48Å; L285-Y300 WeakPolarHBondContact O-CA 3.23Å; L285-L301 PolarHBondContact N-O 3.18Å; L285-L301 PolarHBondContact O-N 3.12Å |
| 286 | V | 95.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124 | 172.1 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | Y183 L277 S278 P284 K298 Y299 Y300 | Y183-V286 HydrophobicContact CE1-CG2 3.88Å; Y183-V286 WeakPolarHBondContact OH-CG2 3.42Å; L277-V286 CarbonylContact C-O 3.59Å; L277-V286 WeakPolarHBondContact CA-O 3.37Å; S278-V286 PolarHBondContact N-O 2.79Å; S278-V286 PolarHBondContact O-N 3.38Å; P284-V286 PolarHBondContact O-N 3.08Å; V286-K298 HydrophobicContact CG1-CB 4.16Å; V286-K298 HydrophobicContact CG1-CD 4.38Å; V286-K298 HydrophobicContact CG1-CG 4.2Å; V286-Y299 CarbonylContact C-O 3.58Å; V286-Y299 WeakPolarHBondContact CA-O 3.24Å; V286-Y300 HydrophobicContact CB-CE1 4.5Å; V286-Y300 HydrophobicContact CG1-CE1 4.19Å; V286-Y300 HydrophobicContact CG2-CD1 3.58Å; V286-Y300 HydrophobicContact CG2-CE1 3.51Å; V286-Y300 HydrophobicContact CG2-CG 4.45Å |
| 287 | V | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 103.6 | 176.3 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | F194 F265 V275 T276 L277 L285 Y289 K298 Y299 | F194-V287 HydrophobicContact CE1-CG1 4.22Å; F265-V287 HydrophobicContact CD2-CB 4.23Å; F265-V287 HydrophobicContact CD2-CG2 3.9Å; F265-V287 HydrophobicContact CE2-CG2 4.33Å; V275-V287 HydrophobicContact CG2-CG1 3.51Å; T276-V287 CarbonylContact O-C 3.59Å; T276-V287 WeakPolarHBondContact O-CA 3.38Å; L277-V287 HydrophobicContact CD2-CB 4.25Å; L277-V287 HydrophobicContact CD2-CG1 3.83Å; L277-V287 HydrophobicContact CD2-CG2 3.85Å; L285-V287 HydrophobicContact CD1-CG2 4.19Å; L285-V287 HydrophobicContact CD2-CG2 3.99Å; L285-V287 HydrophobicContact CG-CG2 3.84Å; V287-Y289 HydrophobicContact CG1-CD2 4.24Å; V287-Y289 HydrophobicContact CG1-CE2 3.52Å; V287-K298 WeakPolarHBondContact O-CA 3.31Å; V287-Y299 PolarHBondContact N-O 2.91Å; V287-Y299 PolarHBondContact O-N 2.78Å |
| 288 | E | 96.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.4 | -179.9 | -171.2 | -177.4 | 119.3 | 0 | 0 | 112.2 | T276 K290 H296 I297 K298 | T276-E288 PolarHBondContact N-O 3.44Å; T276-E288 PolarHBondContact O-N 2.96Å; E288-K290 WeakPolarHBondContact OE1-CE 3.3Å; E288-K290 VanDerWaalsContact OE1-CG 3.26Å; E288-K290 WeakPolarHBondContact OE1-CG 3.46Å; E288-K290 IonicContact OE1-NZ 2.64Å; E288-H296 HydrophobicContact CG-CB 4.1Å; E288-I297 WeakPolarHBondContact CA-O 3.2Å; E288-K298 HydrophobicContact CB-CG 4.11Å; E288-K298 HydrophobicContact CG-CG 3.94Å; E288-K298 WeakPolarHBondContact OE2-CE 3.37Å; E288-K298 IonicContact OE2-NZ 3.99Å |
| 289 | Y | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.9 | 165.9 | -64.3 | -97.5 | 0 | 0 | 0 | 109.4 | F265 A268 V275 V287 H296 I297 Y299 | F265-Y289 WeakPolarHBondContact O-CE2 3.46Å; F265-Y289 PolarHBondContact O-OH 2.84Å; A268-Y289 HydrophobicContact CB-CD1 3.9Å; A268-Y289 HydrophobicContact CB-CD2 3.53Å; A268-Y289 HydrophobicContact CB-CE1 4.13Å; A268-Y289 HydrophobicContact CB-CE2 3.78Å; A268-Y289 HydrophobicContact CB-CG 3.59Å; V275-Y289 HydrophobicContact CB-CD1 4.23Å; V275-Y289 HydrophobicContact CB-CE1 3.84Å; V275-Y289 HydrophobicContact CG2-CD1 4.19Å; V275-Y289 HydrophobicContact CG2-CD2 4.23Å; V275-Y289 HydrophobicContact CG2-CE1 3.76Å; V275-Y289 HydrophobicContact CG2-CE2 3.81Å; V275-Y289 HydrophobicContact CG2-CG 4.41Å; V287-Y289 HydrophobicContact CG1-CD2 4.24Å; V287-Y289 HydrophobicContact CG1-CE2 3.52Å; Y289-H296 CarbonylContact O-C 3.43Å; Y289-H296 VanDerWaalsContact O-CA 3.32Å; Y289-H296 WeakPolarHBondContact O-CA 3.32Å; Y289-I297 PolarHBondContact N-O 2.9Å; Y289-I297 PolarHBondContact O-N 3.44Å; Y289-Y299 HydrophobicContact CD2-CD2 4.21Å; Y289-Y299 AromaticContact CD2-CE2 3.94Å; Y289-Y299 HydrophobicContact CD2-CE2 3.94Å; Y289-Y299 HydrophobicContact CE2-CD2 4.21Å; Y289-Y299 HydrophobicContact CE2-CE2 4.05Å |
| 290 | K | 94.8 | Very high | 92.3 | Very high | 115 Ų | 115 | 38.3 Ų | 38.3 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.6 | 178 | -66.8 | -176.1 | 178.7 | -179.2 | 0 | 111 | S272 E288 A292 | S272-K290 WeakPolarHBondContact CB-O 3.39Å; S272-K290 PolarHBondContact OG-O 2.72Å; E288-K290 WeakPolarHBondContact OE1-CE 3.3Å; E288-K290 VanDerWaalsContact OE1-CG 3.26Å; E288-K290 WeakPolarHBondContact OE1-CG 3.46Å; E288-K290 IonicContact OE1-NZ 2.64Å; K290-A292 PolarHBondContact O-N 2.8Å |
| 291 | I | 92.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 83.9 | 177.7 | -52.6 | 172.5 | 0 | 0 | 0 | 107.5 | I61 V65 L100 L102 L271 D293 M294 G295 I297 | I61-I291 HydrophobicContact CG2-CG2 3.4Å; I61-I291 VanDerWaalsContact CG2-CG2 3.4Å; V65-I291 HydrophobicContact CG2-CD1 3.83Å; L100-I291 HydrophobicContact CD1-CD1 3.66Å; L102-I291 HydrophobicContact CD2-CD1 3.59Å; L271-I291 HydrophobicContact CD1-CG1 4.37Å; L271-I291 HydrophobicContact CD2-CG1 4.45Å; L271-I291 HydrophobicContact CD2-CG2 4.36Å; I291-D293 PolarHBondContact O-N 2.87Å; I291-M294 HydrophobicContact CB-CG 4.13Å; I291-M294 HydrophobicContact CG2-CG 3.64Å; I291-M294 HydrophobicContact CG2-SD 3.83Å; I291-M294 VanDerWaalsContact O-CG 3.23Å; I291-M294 WeakPolarHBondContact O-CG 3.49Å; I291-M294 PolarHBondContact O-N 2.72Å; I291-G295 PolarHBondContact N-O 3.01Å; I291-G295 PolarHBondContact O-N 2.9Å; I291-G295 VanDerWaalsContact O-N 3.16Å; I291-I297 HydrophobicContact CD1-CD1 4.46Å; I291-I297 HydrophobicContact CD1-CG1 3.79Å; I291-I297 HydrophobicContact CG1-CG1 4.29Å |
| 292 | A | 85.4 | Confident | 92.8 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 54% | 0.537 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43 | -133.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.2 | K290 | K290-A292 PolarHBondContact O-N 2.8Š|
| 293 | D | 83.8 | Confident | 93.3 | Very high | 147 Ų | 147 | 31 Ų | 31 | 79% | 0.786 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 5.2 | 174.4 | -56.9 | -63.1 | 0 | 0 | 0 | 113.4 | R103 I291 | R103-D293 PolarHBondContact NH2-O 3.04Å; I291-D293 PolarHBondContact O-N 2.87Å |
| 294 | M | 89.6 | Confident | 93.3 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.044 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -27.4 | 179.2 | 71.4 | 179.6 | -45.9 | 0 | 0 | 114.2 | L56 I61 L102 R103 G106 F107 I291 | L56-M294 HydrophobicContact CD1-CE 3.79Å; L56-M294 HydrophobicContact CD1-SD 4.26Å; I61-M294 HydrophobicContact CD1-SD 4.01Å; I61-M294 HydrophobicContact CG2-SD 3.84Å; L102-M294 HydrophobicContact CB-CE 4.3Å; L102-M294 HydrophobicContact CD2-CE 3.96Å; L102-M294 HydrophobicContact CD2-CG 4.14Å; L102-M294 HydrophobicContact CD2-SD 4.07Å; R103-M294 WeakPolarHBondContact CB-O 3.44Å; R103-M294 PolarHBondContact N-O 3.02Å; G106-M294 VanDerWaalsContact CA-CB 3.46Å; F107-M294 HydrophobicContact CD2-CE 4.44Å; F107-M294 HydrophobicContact CE1-CE 4.3Å; F107-M294 HydrophobicContact CE2-CE 3.97Å; F107-M294 HydrophobicContact CZ-CE 3.89Å; I291-M294 HydrophobicContact CB-CG 4.13Å; I291-M294 HydrophobicContact CG2-CG 3.64Å; I291-M294 HydrophobicContact CG2-SD 3.83Å; I291-M294 VanDerWaalsContact O-CG 3.23Å; I291-M294 WeakPolarHBondContact O-CG 3.49Å; I291-M294 PolarHBondContact O-N 2.72Å |
| 295 | G | 93.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -162.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | T101 I291 | T101-G295 CarbonylContact O-C 3.58Å; T101-G295 WeakPolarHBondContact O-CA 3.47Å; I291-G295 PolarHBondContact N-O 3.01Å; I291-G295 PolarHBondContact O-N 2.9Å; I291-G295 VanDerWaalsContact O-N 3.16Å |
| 296 | H | 95.4 | Very high | 91.3 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 157.2 | 174.5 | 55.7 | -108.7 | 0 | 0 | 0 | 111.7 | T101 E288 Y289 | T101-H296 PolarHBondContact N-O 3.26Å; T101-H296 PolarHBondContact O-N 3.21Å; T101-H296 PolarHBondContact OG1-NE2 3.02Å; E288-H296 HydrophobicContact CG-CB 4.1Å; Y289-H296 CarbonylContact O-C 3.43Å; Y289-H296 VanDerWaalsContact O-CA 3.32Å; Y289-H296 WeakPolarHBondContact O-CA 3.32Å |
| 297 | I | 96 | Very high | 89.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.5 | 156.4 | -46.8 | -169.4 | 0 | 0 | 0 | 107.6 | V65 A68 V98 Q99 L100 L271 E288 Y289 I291 Y299 | V65-I297 HydrophobicContact CG1-CD1 4.32Å; V65-I297 HydrophobicContact CG2-CD1 4.48Å; A68-I297 HydrophobicContact CB-CD1 4.41Å; V98-I297 HydrophobicContact CG2-CG2 3.66Å; Q99-I297 CarbonylContact O-C 3.59Å; Q99-I297 WeakPolarHBondContact O-CA 3.34Å; L100-I297 HydrophobicContact CD1-CD1 4.34Å; L100-I297 HydrophobicContact CD1-CG1 3.87Å; L271-I297 HydrophobicContact CD1-CD1 3.48Å; L271-I297 VanDerWaalsContact CD1-CD1 3.48Å; L271-I297 HydrophobicContact CD1-CG1 4.14Å; E288-I297 WeakPolarHBondContact CA-O 3.2Å; Y289-I297 PolarHBondContact N-O 2.9Å; Y289-I297 PolarHBondContact O-N 3.44Å; I291-I297 HydrophobicContact CD1-CD1 4.46Å; I291-I297 HydrophobicContact CD1-CG1 3.79Å; I291-I297 HydrophobicContact CG1-CG1 4.29Å; I297-Y299 HydrophobicContact CB-CE2 4.27Å; I297-Y299 HydrophobicContact CG2-CD2 4.11Å; I297-Y299 HydrophobicContact CG2-CE1 4.19Å; I297-Y299 HydrophobicContact CG2-CE2 3.62Å |
| 298 | K | 95.8 | Very high | 86.9 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.1 | 167.7 | -71.6 | 172.4 | 177.9 | 176.3 | 0 | 108.9 | Q99 V286 V287 E288 Y300 | Q99-K298 HydrophobicContact CB-CB 4.43Å; Q99-K298 PolarHBondContact N-O 3.04Å; Q99-K298 PolarHBondContact O-N 3.46Å; V286-K298 HydrophobicContact CG1-CB 4.16Å; V286-K298 HydrophobicContact CG1-CD 4.38Å; V286-K298 HydrophobicContact CG1-CG 4.2Å; V287-K298 WeakPolarHBondContact O-CA 3.31Å; E288-K298 HydrophobicContact CB-CG 4.11Å; E288-K298 HydrophobicContact CG-CG 3.94Å; E288-K298 WeakPolarHBondContact OE2-CE 3.37Å; E288-K298 IonicContact OE2-NZ 3.99Å; K298-Y300 HydrophobicContact CB-CD2 4.43Å; K298-Y300 HydrophobicContact CB-CE2 3.66Å |
| 299 | Y | 96.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.2 | 168.2 | -56.2 | -90.1 | 0 | 0 | 0 | 108.9 | A68 L72 V98 F265 A268 V286 V287 Y289 I297 | A68-Y299 WeakPolarHBondContact CB-OH 3.38Å; A68-Y299 PolarHBondContact O-OH 2.67Å; L72-Y299 HydrophobicContact CD2-CD1 3.84Å; L72-Y299 HydrophobicContact CD2-CE1 3.99Å; V98-Y299 HydrophobicContact CB-CD1 3.96Å; V98-Y299 HydrophobicContact CB-CE1 4.27Å; V98-Y299 HydrophobicContact CG2-CD1 3.56Å; V98-Y299 HydrophobicContact CG2-CE1 3.57Å; V98-Y299 HydrophobicContact CG2-CG 4.36Å; F265-Y299 HydrophobicContact CB-CD1 4.45Å; F265-Y299 HydrophobicContact CB-CD2 3.78Å; F265-Y299 HydrophobicContact CB-CE2 4.06Å; F265-Y299 HydrophobicContact CB-CG 3.99Å; F265-Y299 AromaticContact CD1-CD1 3.23Å; F265-Y299 HydrophobicContact CD1-CD1 3.23Å; F265-Y299 HydrophobicContact CD1-CD2 4.07Å; F265-Y299 AromaticContact CD1-CE1 3.81Å; F265-Y299 HydrophobicContact CD1-CE1 3.81Å; F265-Y299 AromaticContact CD1-CG 3.36Å; F265-Y299 HydrophobicContact CD1-CG 3.36Å; F265-Y299 HydrophobicContact CD2-CG 4.19Å; F265-Y299 AromaticContact CE1-CD1 3.63Å; F265-Y299 HydrophobicContact CE1-CD1 3.63Å; F265-Y299 HydrophobicContact CE1-CE1 4.49Å; F265-Y299 AromaticContact CE1-CG 3.86Å; F265-Y299 HydrophobicContact CE1-CG 3.86Å; F265-Y299 AromaticContact CG-CD1 3.94Å; F265-Y299 HydrophobicContact CG-CD1 3.94Å; F265-Y299 AromaticContact CG-CD2 3.91Å; F265-Y299 HydrophobicContact CG-CD2 3.91Å; F265-Y299 AromaticContact CG-CG 3.58Å; F265-Y299 HydrophobicContact CG-CG 3.58Å; F265-Y299 HydrophobicContact CZ-CG 4.45Å; A268-Y299 HydrophobicContact CB-CE2 3.95Å; V286-Y299 CarbonylContact C-O 3.58Å; V286-Y299 WeakPolarHBondContact CA-O 3.24Å; V287-Y299 PolarHBondContact N-O 2.91Å; V287-Y299 PolarHBondContact O-N 2.78Å; Y289-Y299 HydrophobicContact CD2-CD2 4.21Å; Y289-Y299 AromaticContact CD2-CE2 3.94Å; Y289-Y299 HydrophobicContact CD2-CE2 3.94Å; Y289-Y299 HydrophobicContact CE2-CD2 4.21Å; Y289-Y299 HydrophobicContact CE2-CE2 4.05Å; I297-Y299 HydrophobicContact CB-CE2 4.27Å; I297-Y299 HydrophobicContact CG2-CD2 4.11Å; I297-Y299 HydrophobicContact CG2-CE1 4.19Å; I297-Y299 HydrophobicContact CG2-CE2 3.62Å |
| 300 | Y | 94.9 | Very high | 81.1 | Confident | 28 Ų | 28 | 72 Ų | 72 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.7 | 175.6 | -61.8 | -103.7 | 0 | 0 | 0 | 107.6 | S96 L97 Q99 I178 L285 V286 K298 | S96-Y300 WeakPolarHBondContact CA-O 3.43Å; S96-Y300 WeakPolarHBondContact CB-O 3.21Å; S96-Y300 PolarHBondContact OG-O 2.96Å; L97-Y300 HydrophobicContact CD2-CD2 3.57Å; L97-Y300 HydrophobicContact CD2-CE2 4.03Å; L97-Y300 HydrophobicContact CD2-CG 4.28Å; L97-Y300 PolarHBondContact N-O 3.33Å; L97-Y300 VanDerWaalsContact N-O 3.09Å; L97-Y300 PolarHBondContact O-N 2.94Å; Q99-Y300 HydrophobicContact CB-CE2 4.13Å; Q99-Y300 PolarHBondContact OE1-OH 3.09Å; I178-Y300 HydrophobicContact CD1-CD2 4.48Å; I178-Y300 HydrophobicContact CD1-CE1 4.31Å; I178-Y300 HydrophobicContact CD1-CE2 3.78Å; I178-Y300 HydrophobicContact CG2-CE1 3.99Å; L285-Y300 CarbonylContact O-C 3.48Å; L285-Y300 WeakPolarHBondContact O-CA 3.23Å; V286-Y300 HydrophobicContact CB-CE1 4.5Å; V286-Y300 HydrophobicContact CG1-CE1 4.19Å; V286-Y300 HydrophobicContact CG2-CD1 3.58Å; V286-Y300 HydrophobicContact CG2-CE1 3.51Å; V286-Y300 HydrophobicContact CG2-CG 4.45Å; K298-Y300 HydrophobicContact CB-CD2 4.43Å; K298-Y300 HydrophobicContact CB-CE2 3.66Å |
| 301 | L | 94.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 121.8 | -179.8 | -177.8 | 62 | 0 | 0 | 0 | 110.7 | V95 F257 Y261 L262 F265 P284 L285 | V95-L301 HydrophobicContact CG1-CD1 4.06Å; F257-L301 HydrophobicContact CB-CD2 4.03Å; F257-L301 HydrophobicContact CD1-CD2 4.13Å; F257-L301 HydrophobicContact CD1-CG 4.19Å; F257-L301 HydrophobicContact CG-CD2 4.43Å; Y261-L301 HydrophobicContact CD1-CD1 4.19Å; Y261-L301 HydrophobicContact CD2-CD1 4.04Å; Y261-L301 HydrophobicContact CG-CD1 3.73Å; L262-L301 HydrophobicContact CD2-CD2 3.74Å; L262-L301 HydrophobicContact CG-CD2 4.17Å; F265-L301 HydrophobicContact CE2-CB 3.81Å; F265-L301 HydrophobicContact CE2-CD2 3.9Å; F265-L301 HydrophobicContact CE2-CG 4.36Å; F265-L301 HydrophobicContact CZ-CB 3.94Å; F265-L301 HydrophobicContact CZ-CD1 4.35Å; F265-L301 HydrophobicContact CZ-CD2 4.26Å; F265-L301 HydrophobicContact CZ-CG 4.41Å; P284-L301 CarbonylContact C-O 3.56Å; P284-L301 WeakPolarHBondContact CA-O 3.33Å; P284-L301 WeakPolarHBondContact CB-O 3.47Å; L285-L301 PolarHBondContact N-O 3.18Å; L285-L301 PolarHBondContact O-N 3.12Å |
| 302 | A | 92.9 | Very high | 79.8 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 138.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V95 | V95-A302 HydrophobicContact CG1-CB 4.49Å; V95-A302 PolarHBondContact O-N 3.39Å |
| 303 | P | 92.3 | Very high | 79.5 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -66 | 149.7 | 169.3 | 29.6 | -34.1 | 0 | 0 | 0 | 110.4 | L255 I256 F257 I305 | L255-P303 HydrophobicContact CB-CB 4.46Å; L255-P303 HydrophobicContact CD2-CB 4.15Å; I256-P303 CarbonylContact O-C 3.54Å; I256-P303 WeakPolarHBondContact O-CA 3.4Å; F257-P303 HydrophobicContact CD1-CB 4.38Å; F257-P303 HydrophobicContact CE1-CB 3.77Å; F257-P303 HydrophobicContact CZ-CB 4.25Å; P303-I305 PolarHBondContact O-N 2.99Å |
| 304 | K | 88.3 | Confident | 79.2 | Confident | 103 Ų | 103 | 69.5 Ų | 69.5 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 125.7 | 160.9 | -68.7 | -166.9 | 175.9 | -169.4 | 0 | 108.1 | A207 I256 | A207-K304 HydrophobicContact CB-CD 4.42Å; I256-K304 HydrophobicContact CB-CB 4.29Å; I256-K304 HydrophobicContact CG2-CB 4.16Å; I256-K304 HydrophobicContact CG2-CD 4.36Å; I256-K304 PolarHBondContact O-N 2.86Å |
| 305 | I | 80.6 | Confident | 78.6 | Confident | 153 Ų | 153 | 73.3 Ų | 73.3 | 79% | 0.785 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -72 | 134.9 | 164.5 | -56.9 | 174.2 | 0 | 0 | 0 | 107 | P303 | P303-I305 PolarHBondContact O-N 2.99Š|
| 306 | D | 65 | Low | 77.6 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 47% | 0.465 | 43% | 0.431 | S | S | . | . | trans | -93 | 106.9 | 177.3 | -143.1 | -12.4 | 0 | 0 | 0 | 108.3 | I256 E308 A309 | I256-D306 HydrophobicContact CD1-CB 4.4Å; I256-D306 VanDerWaalsContact CD1-OD2 3.24Å; I256-D306 WeakPolarHBondContact CD1-OD2 3.43Å; D306-E308 PolarHBondContact O-N 3.24Å; D306-E308 VanDerWaalsContact O-N 3.15Å; D306-A309 WeakPolarHBondContact O-CB 3.45Å; D306-A309 PolarHBondContact O-N 3.41Å | ||
| 307 | E | 53.6 | Low | 76.3 | Confident | 181 Ų | 181 | 81.1 Ų | 81.1 | 85% | 0.846 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.5 | -172.4 | -65.5 | -172 | 157.1 | 0 | 0 | 113.3 | A309 | E307-A309 VanDerWaalsContact C-N 3.3Š|
| 308 | E | 45.2 | Very low | 74.8 | Confident | 191 Ų | 191 | 87.3 Ų | 87.3 | 89% | 0.893 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 3.4 | 175.1 | -59.4 | -165.3 | 158.8 | 0 | 0 | 113.8 | D306 | D306-E308 PolarHBondContact O-N 3.24Å; D306-E308 VanDerWaalsContact O-N 3.15Å |
| 309 | A | 40 | Very low | 73 | Confident | 86 Ų | 86 | 90.7 Ų | 90.7 | 71% | 0.711 | 51% | 0.509 | S | S | * | . | trans | -105 | 16.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | D306 E307 | D306-A309 WeakPolarHBondContact O-CB 3.45Å; D306-A309 PolarHBondContact O-N 3.41Å; E307-A309 VanDerWaalsContact C-N 3.3Å | ||
| 310 | S | 32.8 | Very low | 70.9 | Confident | 178 Ų | 178 | 98.9 Ų | 98.9 | 100% | 1.245 | 56% | 0.555 | S | S | * | * | trans | -122.2 | 0 | -178.1 | 69.8 | 0 | 0 | 0 | 0 | 114.3 |
Retrieved 310 of 310 residues in 100.8 ms
(Link to these results)