| 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 | 41.4 | Very low | 43.2 | Very low | 244 Ų | 244 | 157.2 Ų | 157.2 | 100% | 1.202 | 85% | 0.845 | S | S | * | * | 0 | 107.4 | 0 | -59.2 | -120.1 | -116.6 | 0 | 0 | 105.6 | |||||
| 2 | A | 41.3 | Very low | 42.9 | Very low | 99 Ų | 99 | 156.5 Ų | 156.5 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -98.3 | 121.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | E | 43.2 | Very low | 42.8 | Very low | 189 Ų | 189 | 155.6 Ų | 155.6 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -74.8 | 122.3 | 176.3 | -72.5 | -72.8 | 152.2 | 0 | 0 | 110 | ||||
| 4 | L | 41.6 | Very low | 43.2 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -99.3 | 98.2 | 173.8 | -75.2 | 166.6 | 0 | 0 | 0 | 108.9 | L6 | L4-L6 PolarHBondContact O-N 3.41Š| ||
| 5 | S | 44.5 | Very low | 42.9 | Very low | 94 Ų | 94 | 153.1 Ų | 153.1 | 66% | 0.657 | 83% | 0.831 | S | S | * | * | trans | -78.8 | 109.9 | 174.3 | -166.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | L | 45.7 | Very low | 42.6 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -83.2 | 109.8 | 174.4 | -77.7 | 169.1 | 0 | 0 | 0 | 109.9 | L4 L8 | L4-L6 PolarHBondContact O-N 3.41Å; L6-L8 PolarHBondContact O-N 3.31Å | ||
| 7 | Y | 42.6 | Very low | 42.3 | Very low | 208 Ų | 208 | 151.3 Ų | 151.3 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | -77.4 | 109.6 | 171.4 | -75 | -86.2 | 0 | 0 | 0 | 110.3 | ||||
| 8 | L | 40.9 | Very low | 42.1 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -83.1 | 114.2 | 171.6 | -158.5 | 73.6 | 0 | 0 | 0 | 109.2 | L6 | L6-L8 PolarHBondContact O-N 3.31Š| ||
| 9 | T | 45.9 | Very low | 41.6 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -88.8 | 118.4 | 174.5 | 37.6 | 0 | 0 | 0 | 0 | 109.8 | V11 | T9-V11 PolarHBondContact O-N 3.07Š| ||
| 10 | N | 44.2 | Very low | 41.2 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -72.9 | 120.3 | 173.9 | -78.6 | -61.6 | 0 | 0 | 0 | 110.1 | ||||
| 11 | V | 43.9 | Very low | 40.9 | Very low | 126 Ų | 126 | 147 Ų | 147 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | -103.9 | 111.8 | 166.8 | 177.6 | 0 | 0 | 0 | 0 | 108 | T9 I13 | T9-V11 PolarHBondContact O-N 3.07Å; V11-I13 HydrophobicContact CG1-CG1 4.22Å | ||
| 12 | N | 39.6 | Very low | 40.7 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -100.3 | 120.5 | 174.6 | -170.9 | -0.5 | 0 | 0 | 0 | 108.8 | ||||
| 13 | I | 41.5 | Very low | 40.4 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -108 | 106.9 | 174.8 | -65.2 | 169 | 0 | 0 | 0 | 107.5 | V11 | V11-I13 HydrophobicContact CG1-CG1 4.22Š| ||
| 14 | S | 48 | Very low | 39.9 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -98.5 | 114.5 | 167 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 15 | L | 39.4 | Very low | 39.5 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -107.4 | 94.8 | 168.9 | -174.4 | 65.9 | 0 | 0 | 0 | 108.6 | ||||
| 16 | G | 37.9 | Very low | 39.2 | Very low | 67 Ų | 67 | 144.8 Ų | 144.8 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -75.9 | 135.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 17 | K | 37.3 | Very low | 38.5 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -144.7 | 136.2 | 155.1 | -164.4 | 160.5 | -178.9 | 164.1 | 0 | 110.8 | ||||
| 18 | T | 38.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -100.3 | 147.6 | -162 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 19 | M | 33.8 | Very low | 38.2 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | 67.8 | 114.5 | 137.6 | -66.5 | 178.9 | 80.7 | 0 | 0 | 121.9 | ||||
| 20 | D | 33.3 | Very low | 38 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | 69.6 | 122.1 | 124.3 | -58.1 | -52.9 | 0 | 0 | 0 | 122.6 | |||||
| 21 | A | 34.8 | Very low | 37.7 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -147.5 | 119.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 22 | E | 37 | Very low | 37.6 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -76.9 | 153 | -180 | -62.8 | -176.1 | 91.3 | 0 | 0 | 114.1 | ||||
| 23 | K | 34.8 | Very low | 37.5 | Very low | 181 Ų | 181 | 148 Ų | 148 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | 102.6 | 114.6 | 129.3 | -155.2 | 167.4 | -175.8 | 177.5 | 0 | 121 | |||||
| 24 | S | 32.6 | Very low | 37.6 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 71.9 | 148.5 | 144.5 | 72.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 25 | S | 32.6 | Very low | 37.5 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | cis | -157.3 | 159.8 | 16.9 | 57.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 26 | N | 38.4 | Very low | 37.8 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -48.6 | 131 | 174.4 | -67.4 | -68.4 | 0 | 0 | 0 | 113.8 | ||||
| 27 | M | 32.2 | Very low | 37.7 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -156.7 | 119.8 | 139.9 | -167.5 | 126.5 | 73.5 | 0 | 0 | 110.9 | ||||
| 28 | V | 39.5 | Very low | 38.1 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -38.2 | 129.2 | 165.7 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 29 | K | 36.5 | Very low | 38.3 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -146.1 | 91.7 | 153 | -141.9 | 171.6 | -173.3 | 176.4 | 0 | 109.6 | F31 | K29-F31 WeakPolarHBondContact O-CD1 3.32Å; K29-F31 WeakPolarHBondContact O-CE1 3.48Å; K29-F31 WeakPolarHBondContact O-CZ 3.49Å; K29-F31 PolarHBondContact O-N 3.24Å | ||
| 30 | E | 42.6 | Very low | 38.7 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -2 | 111.7 | 144.9 | -165.9 | 170.2 | -164.1 | 0 | 0 | 115.6 | ||||
| 31 | F | 36.6 | Very low | 39.3 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 82% | 0.82 | 80% | 0.804 | S | S | * | * | trans | -134.9 | 104.2 | 159.1 | 13.1 | -98.5 | 0 | 0 | 0 | 108.6 | K29 | K29-F31 WeakPolarHBondContact O-CD1 3.32Å; K29-F31 WeakPolarHBondContact O-CE1 3.48Å; K29-F31 WeakPolarHBondContact O-CZ 3.49Å; K29-F31 PolarHBondContact O-N 3.24Å | ||
| 32 | E | 42.4 | Very low | 40.2 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | 36.7 | 98.2 | 136.4 | -158.3 | 164.4 | -170.8 | 0 | 0 | 117.3 | V34 | E32-V34 PolarHBondContact O-N 3.2Š| ||
| 33 | S | 38.2 | Very low | 41.2 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -66.5 | 113.8 | 167.7 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 34 | V | 42.2 | Very low | 42.2 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 67% | 0.673 | 81% | 0.81 | S | S | * | * | trans | -101 | 109.1 | 162.5 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | E32 L36 | E32-V34 PolarHBondContact O-N 3.2Å; V34-L36 HydrophobicContact CG1-CD1 4Å; V34-L36 PolarHBondContact O-N 3.4Å | ||
| 35 | E | 47 | Very low | 43.6 | Very low | 190 Ų | 190 | 153.5 Ų | 153.5 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -60 | 111.3 | 170.3 | -71.7 | 178.6 | 143.3 | 0 | 0 | 109.6 | ||||
| 36 | L | 45.9 | Very low | 44.9 | Very low | 155 Ų | 155 | 154.4 Ų | 154.4 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -99.1 | 103 | 159 | -100.5 | 77.5 | 0 | 0 | 0 | 108.3 | V34 | V34-L36 HydrophobicContact CG1-CD1 4Å; V34-L36 PolarHBondContact O-N 3.4Å | ||
| 37 | G | 34.7 | Very low | 46.1 | Very low | 71 Ų | 71 | 148.3 Ų | 148.3 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | -64.5 | 131.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 38 | D | 46.8 | Very low | 47.7 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | 46.7 | 94.9 | 141.2 | -154.9 | 20 | 0 | 0 | 0 | 118.6 | ||||
| 39 | I | 42.1 | Very low | 49.1 | Very low | 155 Ų | 155 | 151 Ų | 151 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | trans | -106.5 | 97 | 159.6 | -69.2 | 167.2 | 0 | 0 | 0 | 108.5 | ||||
| 40 | G | 42.5 | Very low | 51.1 | Low | 52 Ų | 52 | 144.8 Ų | 144.8 | 54% | 0.536 | 73% | 0.733 | S | S | . | * | trans | 22.6 | 114 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | K42 | G40-K42 PolarHBondContact O-N 3.33Š| ||
| 41 | M | 46.7 | Very low | 52.9 | Low | 191 Ų | 191 | 138 Ų | 138 | 94% | 0.941 | 70% | 0.702 | S | S | * | * | trans | -47.7 | 106.2 | 167.6 | -52.6 | -173.6 | 89.6 | 0 | 0 | 112.1 | ||||
| 42 | K | 51.9 | Low | 55.3 | Low | 196 Ų | 196 | 137.6 Ų | 137.6 | 85% | 0.852 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 120.8 | 166.9 | -65.5 | -175.6 | -179 | -177.7 | 0 | 108.6 | G40 Q44 | G40-K42 PolarHBondContact O-N 3.33Å; K42-Q44 PolarHBondContact O-N 3.23Å |
| 43 | K | 58.6 | Low | 57.2 | Low | 207 Ų | 207 | 133.5 Ų | 133.5 | 90% | 0.9 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.6 | 174.4 | -63.2 | 179.7 | -177.6 | 179.5 | 0 | 109 | K45 | K43-K45 PolarHBondContact O-N 3.2Š|
| 44 | Q | 56.6 | Low | 59.2 | Low | 190 Ų | 190 | 133.7 Ų | 133.7 | 89% | 0.888 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.2 | -178.6 | -126.1 | 170 | -7.1 | 0 | 0 | 110.2 | K42 | K42-Q44 PolarHBondContact O-N 3.23Š|
| 45 | K | 60.5 | Low | 61 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 54% | 0.535 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 126.1 | 178.6 | -162.7 | 169.6 | -173.8 | 177.1 | 0 | 108.1 | K43 Y62 E67 | K43-K45 PolarHBondContact O-N 3.2Å; K45-Y62 HydrophobicContact CB-CE1 4.16Å; K45-Y62 HydrophobicContact CG-CE1 4.5Å; K45-Y62 WeakPolarHBondContact O-CE1 3.49Å; K45-Y62 PolarHBondContact O-OH 2.87Å; K45-E67 IonicContact NZ-OE2 2.9Å; K45-E67 PolarHBondContact NZ-OE2 2.92Å |
| 46 | V | 60.4 | Low | 62.5 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 76% | 0.758 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125.8 | -178.9 | -178.9 | 0 | 0 | 0 | 0 | 109 | ||
| 47 | P | 64.5 | Low | 64.1 | Low | 37 Ų | 37 | 126.4 Ų | 126.4 | 24% | 0.24 | 67% | 0.668 | C | S | . | * | P | Polyproline II helix | trans | -59.9 | 138.4 | 179.2 | -22.2 | 31.5 | 0 | 0 | 0 | 112 | E60 Y62 | P47-E60 HydrophobicContact CB-CB 3.97Å; P47-E60 HydrophobicContact CB-CG 3.98Å; P47-E60 HydrophobicContact CG-CB 4.09Å; P47-E60 HydrophobicContact CG-CG 3.83Å; P47-E60 WeakPolarHBondContact CG-OE1 3.45Å; P47-E60 WeakPolarHBondContact CG-OE2 3.36Å; P47-Y62 HydrophobicContact CG-CE1 4.41Å |
| 48 | R | 65.7 | Low | 66.2 | Low | 213 Ų | 213 | 126.5 Ų | 126.5 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -74.7 | -35.9 | 176 | -79.4 | -172.9 | 163.7 | -158.5 | 0.5 | 112.2 | ||
| 49 | R | 69.6 | Low | 67.8 | Low | 158 Ų | 158 | 123.7 Ų | 123.7 | 60% | 0.596 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -153 | 135.5 | 177 | -162.1 | 168.4 | 78.1 | 125.7 | 0.9 | 111.4 | E61 | R49-E61 PolarHBondContact O-N 3.37Å |
| 50 | T | 77.6 | Confident | 69.1 | Low | 46 Ų | 46 | 120.7 Ų | 120.7 | 28% | 0.282 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.6 | 173.7 | -49.4 | 0 | 0 | 0 | 0 | 109.2 | Y52 T58 E60 | T50-Y52 HydrophobicContact CG2-CE1 4.38Å; T50-Y52 HydrophobicContact CG2-CE2 4.15Å; T50-T58 HydrophobicContact CG2-CG2 4.43Å; T50-E60 HydrophobicContact CG2-CG 4.38Å |
| 51 | I | 80.9 | Confident | 70 | Confident | 42 Ų | 42 | 122.5 Ų | 122.5 | 22% | 0.215 | 61% | 0.614 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.5 | 176.5 | -56.8 | 179.4 | 0 | 0 | 0 | 108.5 | F53 T58 M59 E61 | I51-F53 HydrophobicContact CG2-CE1 4.46Å; I51-F53 HydrophobicContact CG2-CE2 4.41Å; I51-F53 HydrophobicContact CG2-CZ 4.16Å; I51-T58 VanDerWaalsContact O-CA 3.32Å; I51-T58 WeakPolarHBondContact O-CA 3.32Å; I51-M59 PolarHBondContact N-O 3.4Å; I51-M59 PolarHBondContact O-N 3.13Å; I51-E61 HydrophobicContact CD1-CG 4.24Å; I51-E61 WeakPolarHBondContact CD1-OE1 3.49Å |
| 52 | Y | 85.9 | Confident | 70.6 | Confident | 177 Ų | 177 | 118.5 Ų | 118.5 | 69% | 0.694 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.6 | -179.2 | -61.1 | -93.4 | 0 | 0 | 0 | 110.2 | T50 T58 | T50-Y52 HydrophobicContact CG2-CE1 4.38Å; T50-Y52 HydrophobicContact CG2-CE2 4.15Å; Y52-T58 HydrophobicContact CD1-CG2 3.28Å; Y52-T58 HydrophobicContact CE1-CG2 3.51Å; Y52-T58 HydrophobicContact CG-CG2 4.18Å |
| 53 | F | 83.1 | Confident | 71 | Confident | 92 Ų | 92 | 113.4 Ų | 113.4 | 40% | 0.404 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -92 | 151.7 | 176.4 | -63.4 | -80.1 | 0 | 0 | 0 | 111.2 | I51 S55 G56 E57 M59 | I51-F53 HydrophobicContact CG2-CE1 4.46Å; I51-F53 HydrophobicContact CG2-CE2 4.41Å; I51-F53 HydrophobicContact CG2-CZ 4.16Å; F53-S55 PolarHBondContact O-N 3.45Å; F53-S55 VanDerWaalsContact O-N 3.1Å; F53-G56 PolarHBondContact O-N 3.15Å; F53-E57 WeakPolarHBondContact CD2-O 3.34Å; F53-E57 PolarHBondContact N-O 2.91Å; F53-M59 HydrophobicContact CE2-CB 3.7Å; F53-M59 HydrophobicContact CE2-CE 4.45Å; F53-M59 HydrophobicContact CZ-CB 4.47Å; F53-M59 HydrophobicContact CZ-CE 4.11Å |
| 54 | A | 80.2 | Confident | 70.9 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 99% | 0.992 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -16.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G56 | A54-G56 PolarHBondContact O-N 3.32Š|
| 55 | S | 79.9 | Confident | 70.9 | Confident | 98 Ų | 98 | 104.3 Ų | 104.3 | 69% | 0.685 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -6.6 | 171.4 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | F53 E57 | F53-S55 PolarHBondContact O-N 3.45Å; F53-S55 VanDerWaalsContact O-N 3.1Å; S55-E57 VanDerWaalsContact C-N 3.33Å |
| 56 | G | 77.9 | Confident | 70.5 | Confident | 66 Ų | 66 | 106.7 Ų | 106.7 | 68% | 0.68 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 86.4 | -0.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F53 A54 | F53-G56 PolarHBondContact O-N 3.15Å; A54-G56 PolarHBondContact O-N 3.32Å |
| 57 | E | 79.8 | Confident | 70.2 | Confident | 139 Ų | 139 | 106.3 Ų | 106.3 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | trans | -82.9 | 144.8 | 176 | -168.1 | 168.2 | -176 | 0 | 0 | 110.9 | F53 S55 | F53-E57 WeakPolarHBondContact CD2-O 3.34Å; F53-E57 PolarHBondContact N-O 2.91Å; S55-E57 VanDerWaalsContact C-N 3.33Å | ||
| 58 | T | 79.6 | Confident | 69.7 | Low | 72 Ų | 72 | 110.1 Ų | 110.1 | 44% | 0.442 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.1 | -179.5 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | T50 I51 Y52 | T50-T58 HydrophobicContact CG2-CG2 4.43Å; I51-T58 VanDerWaalsContact O-CA 3.32Å; I51-T58 WeakPolarHBondContact O-CA 3.32Å; Y52-T58 HydrophobicContact CD1-CG2 3.28Å; Y52-T58 HydrophobicContact CE1-CG2 3.51Å; Y52-T58 HydrophobicContact CG-CG2 4.18Å |
| 59 | M | 78.9 | Confident | 69 | Low | 98 Ų | 98 | 106.3 Ų | 106.3 | 48% | 0.483 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.4 | 179.7 | -171.3 | 171.2 | 74.8 | 0 | 0 | 111.2 | I51 F53 | I51-M59 PolarHBondContact N-O 3.4Å; I51-M59 PolarHBondContact O-N 3.13Å; F53-M59 HydrophobicContact CE2-CB 3.7Å; F53-M59 HydrophobicContact CE2-CE 4.45Å; F53-M59 HydrophobicContact CZ-CB 4.47Å; F53-M59 HydrophobicContact CZ-CE 4.11Å |
| 60 | E | 71.1 | Confident | 68.3 | Low | 92 Ų | 92 | 106.1 Ų | 106.1 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.4 | -176.4 | -67.1 | -179.5 | 166.4 | 0 | 0 | 110.4 | P47 T50 Y62 | P47-E60 HydrophobicContact CB-CB 3.97Å; P47-E60 HydrophobicContact CB-CG 3.98Å; P47-E60 HydrophobicContact CG-CB 4.09Å; P47-E60 HydrophobicContact CG-CG 3.83Å; P47-E60 WeakPolarHBondContact CG-OE1 3.45Å; P47-E60 WeakPolarHBondContact CG-OE2 3.36Å; T50-E60 HydrophobicContact CG2-CG 4.38Å; E60-Y62 HydrophobicContact CB-CE2 4.05Å; E60-Y62 PolarHBondContact OE2-OH 3.29Å |
| 61 | E | 61.5 | Low | 67.2 | Low | 90 Ų | 90 | 110.5 Ų | 110.5 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.2 | 179.2 | -67.9 | 179.5 | 165 | 0 | 0 | 111.2 | R49 I51 | R49-E61 PolarHBondContact O-N 3.37Å; I51-E61 HydrophobicContact CD1-CG 4.24Å; I51-E61 WeakPolarHBondContact CD1-OE1 3.49Å |
| 62 | Y | 57.7 | Low | 66 | Low | 107 Ų | 107 | 111.9 Ų | 111.9 | 42% | 0.42 | 59% | 0.591 | S | S | . | * | trans | -111.8 | 99.6 | 173.7 | -63 | -83.9 | 0 | 0 | 0 | 109.6 | K45 P47 E60 T64 | K45-Y62 HydrophobicContact CB-CE1 4.16Å; K45-Y62 HydrophobicContact CG-CE1 4.5Å; K45-Y62 WeakPolarHBondContact O-CE1 3.49Å; K45-Y62 PolarHBondContact O-OH 2.87Å; P47-Y62 HydrophobicContact CG-CE1 4.41Å; E60-Y62 HydrophobicContact CB-CE2 4.05Å; E60-Y62 PolarHBondContact OE2-OH 3.29Å; Y62-T64 PolarHBondContact O-N 3.32Å; Y62-T64 PolarHBondContact O-OG1 3.23Å | ||
| 63 | S | 61.3 | Low | 64.6 | Low | 90 Ų | 90 | 110.1 Ų | 110.1 | 63% | 0.629 | 59% | 0.589 | S | S | * | * | trans | -72 | 113.3 | 176.5 | -163 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 64 | T | 56.9 | Low | 63.3 | Low | 84 Ų | 84 | 108.3 Ų | 108.3 | 52% | 0.515 | 59% | 0.591 | S | S | . | * | trans | -109 | -3.1 | -170.1 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | Y62 | Y62-T64 PolarHBondContact O-N 3.32Å; Y62-T64 PolarHBondContact O-OG1 3.23Å | ||
| 65 | D | 55.7 | Low | 62.2 | Low | 121 Ų | 121 | 104.3 Ų | 104.3 | 65% | 0.647 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -79.5 | -37.9 | -163.4 | -147.7 | 35.2 | 0 | 0 | 0 | 115.1 | ||
| 66 | E | 53 | Low | 61.1 | Low | 173 Ų | 173 | 104.1 Ų | 104.1 | 81% | 0.808 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -82.6 | -22.9 | -176.1 | -80.1 | -177.8 | 161.7 | 0 | 0 | 114.7 | ||
| 67 | E | 53.6 | Low | 60.1 | Low | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -78.7 | -24.1 | 177.2 | -75.5 | 178.9 | 160.5 | 0 | 0 | 111.9 | K45 E71 | K45-E67 IonicContact NZ-OE2 2.9Å; K45-E67 PolarHBondContact NZ-OE2 2.92Å; E67-E71 WeakPolarHBondContact O-CB 3.38Å; E67-E71 WeakPolarHBondContact O-CG 3.43Å; E67-E71 PolarHBondContact O-N 3.28Å |
| 68 | E | 53.1 | Low | 58.9 | Low | 117 Ų | 117 | 102 Ų | 102 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77.8 | -35.2 | -173.7 | -165.4 | 164.7 | -167.1 | 0 | 0 | 112.5 | V72 | E68-V72 WeakPolarHBondContact O-CB 3.46Å; E68-V72 WeakPolarHBondContact O-CG2 3.32Å; E68-V72 PolarHBondContact O-N 3.27Å |
| 69 | E | 51.6 | Low | 57.7 | Low | 133 Ų | 133 | 104.8 Ų | 104.8 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.4 | -39.2 | -179.2 | -66.6 | -168.6 | 166.8 | 0 | 0 | 113.6 | V72 Q73 | E69-V72 PolarHBondContact O-N 3.4Å; E69-Q73 PolarHBondContact O-N 2.92Å |
| 70 | E | 55.1 | Low | 56.5 | Low | 155 Ų | 155 | 104 Ų | 104 | 72% | 0.724 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.6 | -37.6 | 176.3 | -69.3 | -170.3 | 168.4 | 0 | 0 | 111.5 | A74 | E70-A74 VanDerWaalsContact O-CB 3.22Å; E70-A74 WeakPolarHBondContact O-CB 3.13Å; E70-A74 PolarHBondContact O-N 3.48Å |
| 71 | E | 55 | Low | 55.6 | Low | 138 Ų | 138 | 104.4 Ų | 104.4 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.2 | -35.2 | 173.6 | -79.4 | -170.7 | 171.2 | 0 | 0 | 112.5 | E67 S75 | E67-E71 WeakPolarHBondContact O-CB 3.38Å; E67-E71 WeakPolarHBondContact O-CG 3.43Å; E67-E71 PolarHBondContact O-N 3.28Å; E71-S75 WeakPolarHBondContact O-CA 3.49Å; E71-S75 WeakPolarHBondContact O-CB 3.28Å; E71-S75 PolarHBondContact O-N 3.05Å; E71-S75 PolarHBondContact O-OG 2.86Å; E71-S75 VanDerWaalsContact O-OG 3.11Å |
| 72 | V | 56.2 | Low | 55.4 | Low | 71 Ų | 71 | 102.2 Ų | 102.2 | 43% | 0.43 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -47.7 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | E68 E69 S75 I76 | E68-V72 WeakPolarHBondContact O-CB 3.46Å; E68-V72 WeakPolarHBondContact O-CG2 3.32Å; E68-V72 PolarHBondContact O-N 3.27Å; E69-V72 PolarHBondContact O-N 3.4Å; V72-S75 PolarHBondContact O-N 3.12Å; V72-S75 PolarHBondContact O-OG 3.45Å; V72-S75 VanDerWaalsContact O-OG 3.08Å; V72-I76 HydrophobicContact CG1-CD1 3.66Å; V72-I76 HydrophobicContact CG1-CG1 4.5Å; V72-I76 WeakPolarHBondContact O-CB 3.45Å; V72-I76 WeakPolarHBondContact O-CD1 3.45Å; V72-I76 WeakPolarHBondContact O-CG1 3.5Å; V72-I76 PolarHBondContact O-N 2.93Å |
| 73 | Q | 54.7 | Low | 55.4 | Low | 139 Ų | 139 | 101 Ų | 101 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.9 | -43 | 178.8 | -68.5 | -173.8 | 54.4 | 0 | 0 | 112.5 | E69 I76 A77 | E69-Q73 PolarHBondContact O-N 2.92Å; Q73-I76 PolarHBondContact O-N 3.15Å; Q73-A77 WeakPolarHBondContact O-CB 3.42Å; Q73-A77 PolarHBondContact O-N 2.97Å |
| 74 | A | 57.2 | Low | 55.3 | Low | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E70 A77 V78 | E70-A74 VanDerWaalsContact O-CB 3.22Å; E70-A74 WeakPolarHBondContact O-CB 3.13Å; E70-A74 PolarHBondContact O-N 3.48Å; A74-A77 PolarHBondContact O-N 3.41Å; A74-V78 WeakPolarHBondContact O-CB 3.47Å; A74-V78 VanDerWaalsContact O-CG2 3.24Å; A74-V78 WeakPolarHBondContact O-CG2 3.32Å; A74-V78 PolarHBondContact O-N 2.89Å |
| 75 | S | 57.3 | Low | 55.6 | Low | 35 Ų | 35 | 100.7 Ų | 100.7 | 25% | 0.245 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -69.2 | -33.6 | 176.7 | 81 | 0 | 0 | 0 | 0 | 112.1 | E71 V72 K79 | E71-S75 WeakPolarHBondContact O-CA 3.49Å; E71-S75 WeakPolarHBondContact O-CB 3.28Å; E71-S75 PolarHBondContact O-N 3.05Å; E71-S75 PolarHBondContact O-OG 2.86Å; E71-S75 VanDerWaalsContact O-OG 3.11Å; V72-S75 PolarHBondContact O-N 3.12Å; V72-S75 PolarHBondContact O-OG 3.45Å; V72-S75 VanDerWaalsContact O-OG 3.08Å; S75-K79 WeakPolarHBondContact O-CB 3.47Å; S75-K79 VanDerWaalsContact O-CD 3.23Å; S75-K79 WeakPolarHBondContact O-CD 3.41Å; S75-K79 WeakPolarHBondContact O-CG 3.38Å; S75-K79 PolarHBondContact O-N 3.22Å; S75-K79 PolarHBondContact OG-NZ 3.17Å |
| 76 | I | 56.5 | Low | 56.1 | Low | 94 Ų | 94 | 105.1 Ų | 105.1 | 48% | 0.482 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68 | -42.3 | 173.9 | -70.5 | 164.1 | 0 | 0 | 0 | 110.6 | V72 Q73 K79 T80 | V72-I76 HydrophobicContact CG1-CD1 3.66Å; V72-I76 HydrophobicContact CG1-CG1 4.5Å; V72-I76 WeakPolarHBondContact O-CB 3.45Å; V72-I76 WeakPolarHBondContact O-CD1 3.45Å; V72-I76 WeakPolarHBondContact O-CG1 3.5Å; V72-I76 PolarHBondContact O-N 2.93Å; Q73-I76 PolarHBondContact O-N 3.15Å; I76-K79 PolarHBondContact O-N 3.43Å; I76-T80 WeakPolarHBondContact O-CB 3.49Å; I76-T80 PolarHBondContact O-N 3.16Å; I76-T80 PolarHBondContact O-OG1 3.42Å |
| 77 | A | 56.2 | Low | 56.6 | Low | 63 Ų | 63 | 99.8 Ų | 99.8 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q73 A74 T80 S81 | Q73-A77 WeakPolarHBondContact O-CB 3.42Å; Q73-A77 PolarHBondContact O-N 2.97Å; A74-A77 PolarHBondContact O-N 3.41Å; A77-T80 VanDerWaalsContact CA-OG1 3.27Å; A77-T80 WeakPolarHBondContact CA-OG1 3.32Å; A77-T80 PolarHBondContact O-OG1 3.17Å; A77-S81 PolarHBondContact O-N 3.44Å |
| 78 | V | 55.7 | Low | 57.6 | Low | 98 Ų | 98 | 99.3 Ų | 99.3 | 59% | 0.594 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.4 | -41.8 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | A74 T80 S81 A82 | A74-V78 WeakPolarHBondContact O-CB 3.47Å; A74-V78 VanDerWaalsContact O-CG2 3.24Å; A74-V78 WeakPolarHBondContact O-CG2 3.32Å; A74-V78 PolarHBondContact O-N 2.89Å; V78-T80 VanDerWaalsContact C-N 3.29Å; V78-T80 PolarHBondContact O-N 2.86Å; V78-S81 PolarHBondContact O-N 2.92Å; V78-S81 VanDerWaalsContact O-N 3.16Å; V78-S81 PolarHBondContact O-OG 3.4Å; V78-A82 PolarHBondContact O-N 3.05Å |
| 79 | K | 53.6 | Low | 58.7 | Low | 131 Ų | 131 | 103.8 Ų | 103.8 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.8 | -22.1 | 176.4 | -71.9 | 164 | -170.5 | 158.7 | 0 | 113.4 | S75 I76 A82 | S75-K79 WeakPolarHBondContact O-CB 3.47Å; S75-K79 VanDerWaalsContact O-CD 3.23Å; S75-K79 WeakPolarHBondContact O-CD 3.41Å; S75-K79 WeakPolarHBondContact O-CG 3.38Å; S75-K79 PolarHBondContact O-N 3.22Å; S75-K79 PolarHBondContact OG-NZ 3.17Å; I76-K79 PolarHBondContact O-N 3.43Å; K79-A82 PolarHBondContact O-N 3.18Å |
| 80 | T | 53.4 | Low | 60.2 | Low | 81 Ų | 81 | 99.1 Ų | 99.1 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -78.8 | -18.8 | 172.3 | 31.4 | 0 | 0 | 0 | 0 | 113.2 | I76 A77 V78 F95 | I76-T80 WeakPolarHBondContact O-CB 3.49Å; I76-T80 PolarHBondContact O-N 3.16Å; I76-T80 PolarHBondContact O-OG1 3.42Å; A77-T80 VanDerWaalsContact CA-OG1 3.27Å; A77-T80 WeakPolarHBondContact CA-OG1 3.32Å; A77-T80 PolarHBondContact O-OG1 3.17Å; V78-T80 VanDerWaalsContact C-N 3.29Å; V78-T80 PolarHBondContact O-N 2.86Å; T80-F95 HydrophobicContact CG2-CE2 3.74Å; T80-F95 HydrophobicContact CG2-CZ 3.94Å |
| 81 | S | 51.8 | Low | 61.5 | Low | 101 Ų | 101 | 94.9 Ų | 94.9 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -88.3 | -13.3 | 169.1 | 82.7 | 0 | 0 | 0 | 0 | 113.6 | A77 V78 | A77-S81 PolarHBondContact O-N 3.44Å; V78-S81 PolarHBondContact O-N 2.92Å; V78-S81 VanDerWaalsContact O-N 3.16Å; V78-S81 PolarHBondContact O-OG 3.4Å |
| 82 | A | 57.1 | Low | 62.8 | Low | 44 Ų | 44 | 92.9 Ų | 92.9 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -76.5 | 125.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V78 K79 | V78-A82 PolarHBondContact O-N 3.05Å; K79-A82 PolarHBondContact O-N 3.18Å |
| 83 | D | 58.2 | Low | 64.3 | Low | 82 Ų | 82 | 94.2 Ų | 94.2 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | trans | -44.6 | 118.6 | 178.2 | -178 | -7.8 | 0 | 0 | 0 | 111.4 | S85 R86 | D83-S85 PolarHBondContact O-N 3.42Å; D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 3.23Å; D83-S85 VanDerWaalsContact OD1-N 3.1Å; D83-S85 PolarHBondContact OD1-OG 2.76Å; D83-S85 PolarHBondContact OD2-OG 2.93Å; D83-R86 HydrophobicContact CB-CG 4.12Å; D83-R86 PolarHBondContact O-N 3.25Å | ||
| 84 | P | 59.9 | Low | 65.8 | Low | 73 Ų | 73 | 93.4 Ų | 93.4 | 47% | 0.474 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -58.2 | -19.1 | -176.8 | 20.1 | -30.9 | 0 | 0 | 0 | 113.3 | R86 Y92 | P84-R86 VanDerWaalsContact C-N 3.28Å; P84-R86 PolarHBondContact O-N 2.82Å; P84-Y92 HydrophobicContact CB-CD2 4.38Å; P84-Y92 HydrophobicContact CB-CE2 3.94Å; P84-Y92 WeakPolarHBondContact O-CD2 3.36Å |
| 85 | S | 63.7 | Low | 67.1 | Low | 94 Ų | 94 | 94.9 Ų | 94.9 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -76.4 | -9.7 | 176 | 70.5 | 0 | 0 | 0 | 0 | 114.4 | D83 | D83-S85 PolarHBondContact O-N 3.42Å; D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 3.23Å; D83-S85 VanDerWaalsContact OD1-N 3.1Å; D83-S85 PolarHBondContact OD1-OG 2.76Å; D83-S85 PolarHBondContact OD2-OG 2.93Å |
| 86 | R | 66.1 | Low | 68.5 | Low | 214 Ų | 214 | 96.3 Ų | 96.3 | 81% | 0.808 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -101 | -3.7 | -178.3 | -63.3 | -177 | 68.9 | 171.7 | 0.8 | 114.3 | D83 P84 | D83-R86 HydrophobicContact CB-CG 4.12Å; D83-R86 PolarHBondContact O-N 3.25Å; P84-R86 VanDerWaalsContact C-N 3.28Å; P84-R86 PolarHBondContact O-N 2.82Å |
| 87 | L | 61.7 | Low | 70 | Confident | 60 Ų | 60 | 96.5 Ų | 96.5 | 31% | 0.314 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -90 | 139.3 | 176.2 | -78.8 | 88.8 | 0 | 0 | 0 | 111.1 | P91 | L87-P91 HydrophobicContact CD2-CB 4.11Š|
| 88 | T | 76.1 | Confident | 71.4 | Confident | 107 Ų | 107 | 102.8 Ų | 102.8 | 66% | 0.656 | 53% | 0.525 | S | S | * | . | trans | -57 | 155.6 | 167.9 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | G90 P91 Y92 | T88-G90 VanDerWaalsContact C-N 3.3Å; T88-G90 PolarHBondContact O-N 2.88Å; T88-G90 VanDerWaalsContact O-N 3.14Å; T88-P91 WeakPolarHBondContact O-CD 3.49Å; T88-Y92 WeakPolarHBondContact O-CB 3.33Å; T88-Y92 PolarHBondContact O-N 3.38Å | ||
| 89 | W | 76.8 | Confident | 72.8 | Confident | 212 Ų | 212 | 105.8 Ų | 105.8 | 80% | 0.803 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -51.2 | -40.4 | -173.6 | -175.3 | 65.2 | 0 | 0 | 0 | 114.8 | F93 | W89-F93 WeakPolarHBondContact O-CB 3.19Å; W89-F93 PolarHBondContact O-N 3.35Å |
| 90 | G | 82.4 | Confident | 74.5 | Confident | 34 Ų | 34 | 103.1 Ų | 103.1 | 35% | 0.351 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -61.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T88 Y92 F93 L94 | T88-G90 VanDerWaalsContact C-N 3.3Å; T88-G90 PolarHBondContact O-N 2.88Å; T88-G90 VanDerWaalsContact O-N 3.14Å; G90-Y92 VanDerWaalsContact C-N 3.27Å; G90-Y92 PolarHBondContact O-N 2.62Å; G90-F93 PolarHBondContact O-N 2.83Å; G90-L94 PolarHBondContact O-N 3.16Å |
| 91 | P | 82.4 | Confident | 76.1 | Confident | 67 Ų | 67 | 102 Ų | 102 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -35 | 177.6 | -27.2 | 35.4 | 0 | 0 | 0 | 113.8 | L87 T88 F95 | L87-P91 HydrophobicContact CD2-CB 4.11Å; T88-P91 WeakPolarHBondContact O-CD 3.49Å; P91-F95 WeakPolarHBondContact O-CB 3.32Å; P91-F95 PolarHBondContact O-N 2.96Å |
| 92 | Y | 82.2 | Confident | 77.6 | Confident | 95 Ų | 95 | 101 Ų | 101 | 37% | 0.373 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 174.1 | 175.9 | -97.6 | 0 | 0 | 0 | 111.4 | P84 T88 G90 F95 H96 | P84-Y92 HydrophobicContact CB-CD2 4.38Å; P84-Y92 HydrophobicContact CB-CE2 3.94Å; P84-Y92 WeakPolarHBondContact O-CD2 3.36Å; T88-Y92 WeakPolarHBondContact O-CB 3.33Å; T88-Y92 PolarHBondContact O-N 3.38Å; G90-Y92 VanDerWaalsContact C-N 3.27Å; G90-Y92 PolarHBondContact O-N 2.62Å; Y92-F95 PolarHBondContact O-N 2.85Å; Y92-H96 AromaticContact CD2-CD2 3.65Å; Y92-H96 AromaticContact CD2-NE2 3.78Å; Y92-H96 AromaticContact CE1-CD2 3.85Å; Y92-H96 AromaticContact CE2-CD2 3.3Å; Y92-H96 WeakPolarHBondContact CE2-CD2 3.47Å; Y92-H96 AromaticContact CE2-NE2 3.12Å; Y92-H96 WeakPolarHBondContact CE2-NE2 3.36Å; Y92-H96 AromaticContact CZ-CD2 3.41Å; Y92-H96 VanDerWaalsContact CZ-CD2 3.41Å; Y92-H96 AromaticContact CZ-NE2 3.48Å; Y92-H96 PolarHBondContact O-CD2 2.84Å; Y92-H96 VanDerWaalsContact O-CD2 3.25Å; Y92-H96 PolarHBondContact O-N 3.31Å; Y92-H96 VanDerWaalsContact O-N 3.11Å |
| 93 | F | 87.5 | Confident | 78.8 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 178.6 | -172.2 | -101 | 0 | 0 | 0 | 111.7 | W89 G90 F95 H96 M97 | W89-F93 WeakPolarHBondContact O-CB 3.19Å; W89-F93 PolarHBondContact O-N 3.35Å; G90-F93 PolarHBondContact O-N 2.83Å; F93-F95 PolarHBondContact O-N 2.97Å; F93-H96 PolarHBondContact O-N 3.5Å; F93-M97 HydrophobicContact CD1-CG 3.64Å; F93-M97 HydrophobicContact CD2-CG 4.22Å; F93-M97 HydrophobicContact CE1-CE 4.13Å; F93-M97 HydrophobicContact CE1-CG 3.35Å; F93-M97 HydrophobicContact CE1-SD 4Å; F93-M97 HydrophobicContact CE2-CG 3.96Å; F93-M97 HydrophobicContact CE2-SD 4.06Å; F93-M97 HydrophobicContact CG-CG 4.08Å; F93-M97 HydrophobicContact CZ-CE 3.98Å; F93-M97 HydrophobicContact CZ-CG 3.52Å; F93-M97 HydrophobicContact CZ-SD 3.59Å; F93-M97 VanDerWaalsContact CZ-SD 3.59Å; F93-M97 VanDerWaalsContact O-CB 3.23Å; F93-M97 WeakPolarHBondContact O-CB 3.49Å; F93-M97 WeakPolarHBondContact O-CG 3.44Å; F93-M97 PolarHBondContact O-N 3.02Å |
| 94 | L | 86.3 | Confident | 80.2 | Confident | 122 Ų | 122 | 101.7 Ų | 101.7 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 178.8 | -71.7 | 170.9 | 0 | 0 | 0 | 112.6 | G90 M97 W98 | G90-L94 PolarHBondContact O-N 3.16Å; L94-M97 PolarHBondContact O-N 2.99Å; L94-W98 VanDerWaalsContact O-CB 3.23Å; L94-W98 WeakPolarHBondContact O-CB 3.41Å; L94-W98 PolarHBondContact O-N 3.46Å |
| 95 | F | 84 | Confident | 81.5 | Confident | 87 Ų | 87 | 103.5 Ų | 103.5 | 38% | 0.382 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 176.8 | 172 | -103.8 | 0 | 0 | 0 | 111.9 | T80 P91 Y92 F93 W98 R99 | T80-F95 HydrophobicContact CG2-CE2 3.74Å; T80-F95 HydrophobicContact CG2-CZ 3.94Å; P91-F95 WeakPolarHBondContact O-CB 3.32Å; P91-F95 PolarHBondContact O-N 2.96Å; Y92-F95 PolarHBondContact O-N 2.85Å; F93-F95 PolarHBondContact O-N 2.97Å; F95-W98 PolarHBondContact O-N 3.29Å; F95-R99 WeakPolarHBondContact O-CB 3.41Å; F95-R99 PolarHBondContact O-N 3.47Å |
| 96 | H | 86 | Confident | 82.5 | Confident | 64 Ų | 64 | 102.8 Ų | 102.8 | 30% | 0.296 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 179.3 | -80.1 | -68.9 | 0 | 0 | 0 | 112 | Y92 F93 R99 V100 | Y92-H96 AromaticContact CD2-CD2 3.65Å; Y92-H96 AromaticContact CD2-NE2 3.78Å; Y92-H96 AromaticContact CE1-CD2 3.85Å; Y92-H96 AromaticContact CE2-CD2 3.3Å; Y92-H96 WeakPolarHBondContact CE2-CD2 3.47Å; Y92-H96 AromaticContact CE2-NE2 3.12Å; Y92-H96 WeakPolarHBondContact CE2-NE2 3.36Å; Y92-H96 AromaticContact CZ-CD2 3.41Å; Y92-H96 VanDerWaalsContact CZ-CD2 3.41Å; Y92-H96 AromaticContact CZ-NE2 3.48Å; Y92-H96 PolarHBondContact O-CD2 2.84Å; Y92-H96 VanDerWaalsContact O-CD2 3.25Å; Y92-H96 PolarHBondContact O-N 3.31Å; Y92-H96 VanDerWaalsContact O-N 3.11Å; F93-H96 PolarHBondContact O-N 3.5Å; H96-R99 PolarHBondContact O-N 3.45Å; H96-V100 WeakPolarHBondContact O-CB 3.48Å; H96-V100 VanDerWaalsContact O-CG2 3.24Å; H96-V100 WeakPolarHBondContact O-CG2 3.46Å; H96-V100 PolarHBondContact O-N 2.9Å |
| 97 | M | 89.5 | Confident | 83.6 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.3 | -74 | -65.7 | -78.8 | 0 | 0 | 111.5 | F93 L94 V100 A101 | F93-M97 HydrophobicContact CD1-CG 3.64Å; F93-M97 HydrophobicContact CD2-CG 4.22Å; F93-M97 HydrophobicContact CE1-CE 4.13Å; F93-M97 HydrophobicContact CE1-CG 3.35Å; F93-M97 HydrophobicContact CE1-SD 4Å; F93-M97 HydrophobicContact CE2-CG 3.96Å; F93-M97 HydrophobicContact CE2-SD 4.06Å; F93-M97 HydrophobicContact CG-CG 4.08Å; F93-M97 HydrophobicContact CZ-CE 3.98Å; F93-M97 HydrophobicContact CZ-CG 3.52Å; F93-M97 HydrophobicContact CZ-SD 3.59Å; F93-M97 VanDerWaalsContact CZ-SD 3.59Å; F93-M97 VanDerWaalsContact O-CB 3.23Å; F93-M97 WeakPolarHBondContact O-CB 3.49Å; F93-M97 WeakPolarHBondContact O-CG 3.44Å; F93-M97 PolarHBondContact O-N 3.02Å; L94-M97 PolarHBondContact O-N 2.99Å; M97-V100 PolarHBondContact O-N 3.27Å; M97-A101 WeakPolarHBondContact O-CB 3.49Å; M97-A101 PolarHBondContact O-N 3.17Å |
| 98 | W | 85.1 | Confident | 84.9 | Confident | 195 Ų | 195 | 97.9 Ų | 97.9 | 74% | 0.739 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 176.4 | -176.4 | -93.1 | 0 | 0 | 0 | 112 | L94 F95 A101 T102 | L94-W98 VanDerWaalsContact O-CB 3.23Å; L94-W98 WeakPolarHBondContact O-CB 3.41Å; L94-W98 PolarHBondContact O-N 3.46Å; F95-W98 PolarHBondContact O-N 3.29Å; W98-A101 PolarHBondContact O-N 3.27Å; W98-T102 WeakPolarHBondContact O-CB 3.36Å; W98-T102 VanDerWaalsContact O-CG2 3.31Å; W98-T102 WeakPolarHBondContact O-CG2 3.49Å; W98-T102 PolarHBondContact O-N 3.16Å; W98-T102 PolarHBondContact O-OG1 3.5Å |
| 99 | R | 85.3 | Confident | 85.4 | Confident | 160 Ų | 160 | 98 Ų | 98 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 177.9 | -171.2 | -179.3 | 177.8 | 90.4 | 1.4 | 112.3 | F95 H96 T102 S103 | F95-R99 WeakPolarHBondContact O-CB 3.41Å; F95-R99 PolarHBondContact O-N 3.47Å; H96-R99 PolarHBondContact O-N 3.45Å; R99-T102 WeakPolarHBondContact CA-OG1 3.19Å; R99-T102 PolarHBondContact O-OG1 3.25Å; R99-S103 WeakPolarHBondContact O-CB 3.28Å; R99-S103 PolarHBondContact O-N 2.86Å; R99-S103 PolarHBondContact O-OG 3.05Å |
| 100 | V | 88.9 | Confident | 86 | Confident | 76 Ų | 76 | 94.9 Ų | 94.9 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -49.5 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | H96 M97 T102 S103 T104 | H96-V100 WeakPolarHBondContact O-CB 3.48Å; H96-V100 VanDerWaalsContact O-CG2 3.24Å; H96-V100 WeakPolarHBondContact O-CG2 3.46Å; H96-V100 PolarHBondContact O-N 2.9Å; M97-V100 PolarHBondContact O-N 3.27Å; V100-T102 VanDerWaalsContact C-N 3.3Å; V100-T102 PolarHBondContact O-N 3.02Å; V100-S103 WeakPolarHBondContact CA-OG 3.37Å; V100-S103 CarbonylContact O-C 3.6Å; V100-S103 WeakPolarHBondContact O-CA 3.47Å; V100-S103 PolarHBondContact O-N 3.12Å; V100-S103 PolarHBondContact O-OG 2.92Å; V100-T104 PolarHBondContact O-N 3.45Å; V100-T104 PolarHBondContact O-OG1 2.93Å |
| 101 | A | 87.9 | Confident | 86.4 | Confident | 56 Ų | 56 | 98 Ų | 98 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55 | -44.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M97 W98 S103 I105 | M97-A101 WeakPolarHBondContact O-CB 3.49Å; M97-A101 PolarHBondContact O-N 3.17Å; W98-A101 PolarHBondContact O-N 3.27Å; A101-S103 VanDerWaalsContact C-N 3.31Å; A101-S103 PolarHBondContact O-N 3.37Å; A101-I105 PolarHBondContact O-N 3.49Å |
| 102 | T | 82.7 | Confident | 86.9 | Confident | 82 Ų | 82 | 96.7 Ų | 96.7 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -29.9 | 176 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | W98 R99 V100 | W98-T102 WeakPolarHBondContact O-CB 3.36Å; W98-T102 VanDerWaalsContact O-CG2 3.31Å; W98-T102 WeakPolarHBondContact O-CG2 3.49Å; W98-T102 PolarHBondContact O-N 3.16Å; W98-T102 PolarHBondContact O-OG1 3.5Å; R99-T102 WeakPolarHBondContact CA-OG1 3.19Å; R99-T102 PolarHBondContact O-OG1 3.25Å; V100-T102 VanDerWaalsContact C-N 3.3Å; V100-T102 PolarHBondContact O-N 3.02Å |
| 103 | S | 81.6 | Confident | 87.2 | Confident | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -82 | -31.2 | 179.4 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | R99 V100 A101 | R99-S103 WeakPolarHBondContact O-CB 3.28Å; R99-S103 PolarHBondContact O-N 2.86Å; R99-S103 PolarHBondContact O-OG 3.05Å; V100-S103 WeakPolarHBondContact CA-OG 3.37Å; V100-S103 CarbonylContact O-C 3.6Å; V100-S103 WeakPolarHBondContact O-CA 3.47Å; V100-S103 PolarHBondContact O-N 3.12Å; V100-S103 PolarHBondContact O-OG 2.92Å; A101-S103 VanDerWaalsContact C-N 3.31Å; A101-S103 PolarHBondContact O-N 3.37Å |
| 104 | T | 89.1 | Confident | 87.4 | Confident | 62 Ų | 62 | 97.8 Ų | 97.8 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -103 | 9.2 | -173.9 | 39.9 | 0 | 0 | 0 | 0 | 114.5 | V100 S106 V107 C108 | V100-T104 PolarHBondContact O-N 3.45Å; V100-T104 PolarHBondContact O-OG1 2.93Å; T104-S106 VanDerWaalsContact C-N 3.3Å; T104-S106 PolarHBondContact O-N 3.31Å; T104-V107 PolarHBondContact O-N 3.25Å; T104-V107 VanDerWaalsContact O-N 3.15Å; T104-C108 PolarHBondContact O-N 3.42Å |
| 105 | I | 86.1 | Confident | 87.6 | Confident | 111 Ų | 111 | 96.6 Ų | 96.6 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.2 | -41.2 | -176.9 | -162.9 | 144.7 | 0 | 0 | 0 | 112.7 | A101 V107 C108 D109 | A101-I105 PolarHBondContact O-N 3.49Å; I105-V107 PolarHBondContact O-N 3.13Å; I105-C108 WeakPolarHBondContact O-CB 3.1Å; I105-C108 PolarHBondContact O-N 3.3Å; I105-D109 PolarHBondContact O-N 3.27Å |
| 106 | S | 84.3 | Confident | 88 | Confident | 78 Ų | 78 | 93.7 Ų | 93.7 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.6 | -33.3 | 178.1 | 56 | 0 | 0 | 0 | 0 | 113.8 | T104 C108 D109 Y110 | T104-S106 VanDerWaalsContact C-N 3.3Å; T104-S106 PolarHBondContact O-N 3.31Å; S106-C108 VanDerWaalsContact C-N 3.34Å; S106-D109 PolarHBondContact O-N 2.95Å; S106-Y110 PolarHBondContact O-N 3.47Å |
| 107 | V | 90.5 | Very high | 87.9 | Confident | 88 Ų | 88 | 93 Ų | 93 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.5 | -36.5 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 110 | T104 I105 D109 Y110 L111 | T104-V107 PolarHBondContact O-N 3.25Å; T104-V107 VanDerWaalsContact O-N 3.15Å; I105-V107 PolarHBondContact O-N 3.13Å; V107-D109 VanDerWaalsContact C-N 3.31Å; V107-Y110 PolarHBondContact O-N 3.45Å; V107-L111 WeakPolarHBondContact O-CB 3.27Å; V107-L111 PolarHBondContact O-N 3.44Å |
| 108 | C | 87.8 | Confident | 87.8 | Confident | 84 Ų | 84 | 95.2 Ų | 95.2 | 57% | 0.568 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -36.6 | 174.9 | -161.3 | 0 | 0 | 0 | 0 | 111.5 | T104 I105 S106 L111 G112 | T104-C108 PolarHBondContact O-N 3.42Å; I105-C108 WeakPolarHBondContact O-CB 3.1Å; I105-C108 PolarHBondContact O-N 3.3Å; S106-C108 VanDerWaalsContact C-N 3.34Å; C108-L111 PolarHBondContact O-N 3.08Å; C108-G112 WeakPolarHBondContact O-CA 3.41Å; C108-G112 PolarHBondContact O-N 3.21Å |
| 109 | D | 87.2 | Confident | 88 | Confident | 109 Ų | 109 | 92.8 Ų | 92.8 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | 173.9 | -66.6 | -28.3 | 0 | 0 | 0 | 111.6 | I105 S106 V107 G112 E113 | I105-D109 PolarHBondContact O-N 3.27Å; S106-D109 PolarHBondContact O-N 2.95Å; V107-D109 VanDerWaalsContact C-N 3.31Å; D109-G112 PolarHBondContact O-N 3.26Å; D109-E113 WeakPolarHBondContact O-CB 3.2Å; D109-E113 PolarHBondContact O-N 3.37Å |
| 110 | Y | 90 | Very high | 88 | Confident | 147 Ų | 147 | 87 Ų | 87 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 177.2 | 177 | -103 | 0 | 0 | 0 | 112.4 | S106 V107 E113 R114 | S106-Y110 PolarHBondContact O-N 3.47Å; V107-Y110 PolarHBondContact O-N 3.45Å; Y110-E113 PolarHBondContact O-N 3.13Å; Y110-R114 HydrophobicContact CE1-CG 4.1Å; Y110-R114 HydrophobicContact CE2-CG 4.37Å; Y110-R114 PolarHBondContact O-N 3.31Å |
| 111 | L | 89.8 | Confident | 87.9 | Confident | 100 Ų | 100 | 89.9 Ų | 89.9 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -39.3 | 178.2 | -171.9 | 63.3 | 0 | 0 | 0 | 110.9 | V107 C108 R114 M115 | V107-L111 WeakPolarHBondContact O-CB 3.27Å; V107-L111 PolarHBondContact O-N 3.44Å; C108-L111 PolarHBondContact O-N 3.08Å; L111-R114 PolarHBondContact O-N 2.82Å; L111-M115 HydrophobicContact CG-SD 4.46Å; L111-M115 WeakPolarHBondContact O-CB 3.45Å; L111-M115 VanDerWaalsContact O-CG 3.27Å; L111-M115 WeakPolarHBondContact O-CG 3.22Å; L111-M115 PolarHBondContact O-N 3.2Å |
| 112 | G | 92.9 | Very high | 87.8 | Confident | 38 Ų | 38 | 90.8 Ų | 90.8 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | C108 D109 M115 A116 | C108-G112 WeakPolarHBondContact O-CA 3.41Å; C108-G112 PolarHBondContact O-N 3.21Å; D109-G112 PolarHBondContact O-N 3.26Å; G112-M115 PolarHBondContact O-N 3.39Å; G112-A116 WeakPolarHBondContact O-CB 3.46Å; G112-A116 PolarHBondContact O-N 3.39Å |
| 113 | E | 89.3 | Confident | 87.9 | Confident | 102 Ų | 102 | 90.9 Ų | 90.9 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 173.5 | -168.2 | -157.2 | 122.7 | 0 | 0 | 111.4 | D109 Y110 A116 S117 | D109-E113 WeakPolarHBondContact O-CB 3.2Å; D109-E113 PolarHBondContact O-N 3.37Å; Y110-E113 PolarHBondContact O-N 3.13Å; E113-A116 PolarHBondContact O-N 2.94Å; E113-S117 VanDerWaalsContact O-CB 3.22Å; E113-S117 WeakPolarHBondContact O-CB 3.24Å; E113-S117 PolarHBondContact O-N 3.29Å |
| 114 | R | 90.7 | Very high | 87.9 | Confident | 115 Ų | 115 | 90.8 Ų | 90.8 | 43% | 0.434 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -40 | 176.1 | -80.8 | -54.9 | 101.9 | 178.9 | 7.2 | 112.6 | Y110 L111 S117 L118 | Y110-R114 HydrophobicContact CE1-CG 4.1Å; Y110-R114 HydrophobicContact CE2-CG 4.37Å; Y110-R114 PolarHBondContact O-N 3.31Å; L111-R114 PolarHBondContact O-N 2.82Å; R114-S117 PolarHBondContact O-N 3.37Å; R114-L118 WeakPolarHBondContact O-CB 3.22Å; R114-L118 PolarHBondContact O-N 2.98Å |
| 115 | M | 91.4 | Very high | 87.5 | Confident | 98 Ų | 98 | 96 Ų | 96 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 175.2 | -72.4 | -172.5 | 74.4 | 0 | 0 | 110.9 | L111 G112 S117 L118 F119 | L111-M115 HydrophobicContact CG-SD 4.46Å; L111-M115 WeakPolarHBondContact O-CB 3.45Å; L111-M115 VanDerWaalsContact O-CG 3.27Å; L111-M115 WeakPolarHBondContact O-CG 3.22Å; L111-M115 PolarHBondContact O-N 3.2Å; G112-M115 PolarHBondContact O-N 3.39Å; M115-S117 VanDerWaalsContact C-N 3.27Å; M115-S117 PolarHBondContact O-N 3.39Å; M115-L118 PolarHBondContact O-N 2.8Å; M115-F119 HydrophobicContact CE-CE2 4.28Å; M115-F119 WeakPolarHBondContact O-CD2 3.48Å; M115-F119 PolarHBondContact O-N 2.84Å |
| 116 | A | 91.8 | Very high | 87.4 | Confident | 26 Ų | 26 | 98.2 Ų | 98.2 | 22% | 0.215 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -64.8 | -33.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G112 E113 G120 I121 T122 | G112-A116 WeakPolarHBondContact O-CB 3.46Å; G112-A116 PolarHBondContact O-N 3.39Å; E113-A116 PolarHBondContact O-N 2.94Å; A116-G120 PolarHBondContact O-N 3.14Å; A116-I121 PolarHBondContact O-N 3.2Å; A116-T122 HydrophobicContact CB-CG2 3.6Å; A116-T122 PolarHBondContact O-N 2.99Å |
| 117 | S | 84.8 | Confident | 87.3 | Confident | 49 Ų | 49 | 99.2 Ų | 99.2 | 34% | 0.343 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70 | -40.6 | 172.3 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | E113 R114 M115 G120 T122 | E113-S117 VanDerWaalsContact O-CB 3.22Å; E113-S117 WeakPolarHBondContact O-CB 3.24Å; E113-S117 PolarHBondContact O-N 3.29Å; R114-S117 PolarHBondContact O-N 3.37Å; M115-S117 VanDerWaalsContact C-N 3.27Å; M115-S117 PolarHBondContact O-N 3.39Å; S117-G120 WeakPolarHBondContact O-CA 3.24Å; S117-G120 PolarHBondContact O-N 3.39Å; S117-T122 WeakPolarHBondContact CA-OG1 3.4Å; S117-T122 PolarHBondContact N-OG1 3.28Å |
| 118 | L | 87.4 | Confident | 87 | Confident | 146 Ų | 146 | 103.1 Ų | 103.1 | 76% | 0.764 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -40 | 177.1 | -174.2 | 68.5 | 0 | 0 | 0 | 112 | R114 M115 G120 | R114-L118 WeakPolarHBondContact O-CB 3.22Å; R114-L118 PolarHBondContact O-N 2.98Å; M115-L118 PolarHBondContact O-N 2.8Å; L118-G120 PolarHBondContact O-N 2.81Å |
| 119 | F | 87.9 | Confident | 87 | Confident | 144 Ų | 144 | 101.7 Ų | 101.7 | 63% | 0.632 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 0.3 | 172.9 | -69.6 | -64.7 | 0 | 0 | 0 | 113.3 | M115 I121 | M115-F119 HydrophobicContact CE-CE2 4.28Å; M115-F119 WeakPolarHBondContact O-CD2 3.48Å; M115-F119 PolarHBondContact O-N 2.84Å; F119-I121 HydrophobicContact CB-CD1 3.89Å; F119-I121 HydrophobicContact CB-CG1 3.95Å; F119-I121 PolarHBondContact O-N 3.36Å; F119-I121 VanDerWaalsContact O-N 3.13Å |
| 120 | G | 85.8 | Confident | 86.9 | Confident | 39 Ų | 39 | 100.2 Ų | 100.2 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 8.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A116 S117 L118 T122 S123 | A116-G120 PolarHBondContact O-N 3.14Å; S117-G120 WeakPolarHBondContact O-CA 3.24Å; S117-G120 PolarHBondContact O-N 3.39Å; L118-G120 PolarHBondContact O-N 2.81Å; G120-T122 VanDerWaalsContact C-N 3.25Å; G120-T122 PolarHBondContact O-N 3.38Å; G120-S123 VanDerWaalsContact O-CB 3.24Å; G120-S123 WeakPolarHBondContact O-CB 3.36Å; G120-S123 PolarHBondContact O-N 3.19Å; G120-S123 VanDerWaalsContact O-N 3.14Å |
| 121 | I | 87.4 | Confident | 87 | Confident | 135 Ų | 135 | 98.3 Ų | 98.3 | 69% | 0.692 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -31.6 | -178.1 | -62.3 | 172.3 | 0 | 0 | 0 | 110.4 | A116 F119 | A116-I121 PolarHBondContact O-N 3.2Å; F119-I121 HydrophobicContact CB-CD1 3.89Å; F119-I121 HydrophobicContact CB-CG1 3.95Å; F119-I121 PolarHBondContact O-N 3.36Å; F119-I121 VanDerWaalsContact O-N 3.13Å |
| 122 | T | 86.3 | Confident | 86.9 | Confident | 75 Ų | 75 | 97.4 Ų | 97.4 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 8.5 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | A116 S117 G120 | A116-T122 HydrophobicContact CB-CG2 3.6Å; A116-T122 PolarHBondContact O-N 2.99Å; S117-T122 WeakPolarHBondContact CA-OG1 3.4Å; S117-T122 PolarHBondContact N-OG1 3.28Å; G120-T122 VanDerWaalsContact C-N 3.25Å; G120-T122 PolarHBondContact O-N 3.38Å |
| 123 | S | 83.2 | Confident | 86.7 | Confident | 84 Ų | 84 | 101.7 Ų | 101.7 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | trans | -68.7 | 131.4 | -179.7 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | G120 K125 | G120-S123 VanDerWaalsContact O-CB 3.24Å; G120-S123 WeakPolarHBondContact O-CB 3.36Å; G120-S123 PolarHBondContact O-N 3.19Å; G120-S123 VanDerWaalsContact O-N 3.14Å; S123-K125 PolarHBondContact O-N 3.49Å | ||
| 124 | P | 81.9 | Confident | 86.8 | Confident | 77 Ų | 77 | 103.8 Ų | 103.8 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | trans | -69.2 | 113.2 | -179.6 | 25.8 | -32.5 | 0 | 0 | 0 | 111.7 | Y126 Q127 | P124-Y126 VanDerWaalsContact C-N 3.29Å; P124-Y126 PolarHBondContact O-N 2.78Å; P124-Q127 HydrophobicContact CB-CB 4.08Å; P124-Q127 HydrophobicContact CG-CB 3.82Å; P124-Q127 HydrophobicContact CG-CG 4.25Å; P124-Q127 PolarHBondContact O-N 3.35Å | ||
| 125 | K | 80.9 | Confident | 86.9 | Confident | 171 Ų | 171 | 105.7 Ų | 105.7 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.7 | -174.3 | -173.4 | 176.8 | 178.6 | -178.8 | 0 | 115.3 | S123 | S123-K125 PolarHBondContact O-N 3.49Š|
| 126 | Y | 84 | Confident | 86.9 | Confident | 158 Ų | 158 | 106.3 Ų | 106.3 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 10.7 | -172.9 | -57.7 | -67 | 0 | 0 | 0 | 114 | P124 Y128 A129 I130 | P124-Y126 VanDerWaalsContact C-N 3.29Å; P124-Y126 PolarHBondContact O-N 2.78Å; Y126-Y128 PolarHBondContact O-N 2.92Å; Y126-A129 PolarHBondContact O-N 3.47Å; Y126-A129 VanDerWaalsContact O-N 3.08Å; Y126-I130 PolarHBondContact O-N 2.96Å |
| 127 | Q | 82.9 | Confident | 87 | Confident | 99 Ų | 99 | 109.9 Ų | 109.9 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.5 | -31.9 | -178.3 | -164.9 | 63.7 | 31.6 | 0 | 0 | 112.3 | P124 A129 I130 D131 | P124-Q127 HydrophobicContact CB-CB 4.08Å; P124-Q127 HydrophobicContact CG-CB 3.82Å; P124-Q127 HydrophobicContact CG-CG 4.25Å; P124-Q127 PolarHBondContact O-N 3.35Å; Q127-A129 PolarHBondContact O-N 3.15Å; Q127-I130 PolarHBondContact O-N 3.27Å; Q127-D131 WeakPolarHBondContact O-CB 3.38Å; Q127-D131 PolarHBondContact O-N 3.45Å |
| 128 | Y | 84.3 | Confident | 87.4 | Confident | 170 Ų | 170 | 113.5 Ų | 113.5 | 67% | 0.667 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.8 | -45.4 | 174 | 175.2 | -93.9 | 0 | 0 | 0 | 112.8 | Y126 I130 D131 E132 | Y126-Y128 PolarHBondContact O-N 2.92Å; Y128-I130 VanDerWaalsContact C-N 3.29Å; Y128-I130 PolarHBondContact O-N 3.42Å; Y128-D131 PolarHBondContact O-N 2.83Å; Y128-E132 WeakPolarHBondContact O-CB 3.34Å; Y128-E132 PolarHBondContact O-N 3.35Å |
| 129 | A | 86.1 | Confident | 87.5 | Confident | 54 Ų | 54 | 111.5 Ų | 111.5 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.1 | -31.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y126 Q127 Y133 | Y126-A129 PolarHBondContact O-N 3.47Å; Y126-A129 VanDerWaalsContact O-N 3.08Å; Q127-A129 PolarHBondContact O-N 3.15Å; A129-Y133 PolarHBondContact O-N 2.82Å |
| 130 | I | 85.9 | Confident | 87.7 | Confident | 77 Ų | 77 | 109.9 Ų | 109.9 | 40% | 0.395 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.4 | -47.5 | 175.1 | -61.1 | 171.5 | 0 | 0 | 0 | 109.4 | Y126 Q127 Y128 E132 Y133 Y134 | Y126-I130 PolarHBondContact O-N 2.96Å; Q127-I130 PolarHBondContact O-N 3.27Å; Y128-I130 VanDerWaalsContact C-N 3.29Å; Y128-I130 PolarHBondContact O-N 3.42Å; I130-E132 PolarHBondContact O-N 3.26Å; I130-Y133 WeakPolarHBondContact O-CB 3.45Å; I130-Y133 PolarHBondContact O-N 3.3Å; I130-Y134 HydrophobicContact CG2-CD2 3.84Å; I130-Y134 HydrophobicContact CG2-CE2 3.69Å; I130-Y134 WeakPolarHBondContact O-CD2 3.42Å; I130-Y134 PolarHBondContact O-N 3.01Å; I130-Y134 VanDerWaalsContact O-N 3.13Å |
| 131 | D | 91.6 | Very high | 88 | Confident | 108 Ų | 108 | 113.5 Ų | 113.5 | 58% | 0.578 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | -179.3 | -165.3 | 53.7 | 0 | 0 | 0 | 112.2 | Q127 Y128 Y133 Y134 R135 | Q127-D131 WeakPolarHBondContact O-CB 3.38Å; Q127-D131 PolarHBondContact O-N 3.45Å; Y128-D131 PolarHBondContact O-N 2.83Å; D131-Y133 PolarHBondContact O-N 2.95Å; D131-Y134 PolarHBondContact O-N 3.22Å; D131-R135 WeakPolarHBondContact O-CB 3.3Å; D131-R135 PolarHBondContact O-N 2.9Å |
| 132 | E | 88.1 | Confident | 88.2 | Confident | 81 Ų | 81 | 111.7 Ų | 111.7 | 38% | 0.379 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.7 | -175 | -177.9 | -157.1 | 0 | 0 | 112.3 | Y128 I130 Y134 R135 M136 | Y128-E132 WeakPolarHBondContact O-CB 3.34Å; Y128-E132 PolarHBondContact O-N 3.35Å; I130-E132 PolarHBondContact O-N 3.26Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 2.72Å; E132-R135 PolarHBondContact O-N 3.19Å; E132-M136 WeakPolarHBondContact O-CB 3.44Å; E132-M136 PolarHBondContact O-N 2.92Å |
| 133 | Y | 89.3 | Confident | 88.4 | Confident | 127 Ų | 127 | 114 Ų | 114 | 50% | 0.498 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 175.8 | 172.1 | -97.3 | 0 | 0 | 0 | 111.5 | A129 I130 D131 K137 | A129-Y133 PolarHBondContact O-N 2.82Å; I130-Y133 WeakPolarHBondContact O-CB 3.45Å; I130-Y133 PolarHBondContact O-N 3.3Å; D131-Y133 PolarHBondContact O-N 2.95Å; Y133-K137 HydrophobicContact CE1-CD 4.27Å; Y133-K137 VanDerWaalsContact O-CB 3.28Å; Y133-K137 WeakPolarHBondContact O-CB 3.12Å; Y133-K137 PolarHBondContact O-N 3.45Å |
| 134 | Y | 90.7 | Very high | 88.8 | Confident | 147 Ų | 147 | 116.1 Ų | 116.1 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.7 | -35.2 | 177.3 | -80.1 | -73.8 | 0 | 0 | 0 | 112.6 | I130 D131 E132 K138 | I130-Y134 HydrophobicContact CG2-CD2 3.84Å; I130-Y134 HydrophobicContact CG2-CE2 3.69Å; I130-Y134 WeakPolarHBondContact O-CD2 3.42Å; I130-Y134 PolarHBondContact O-N 3.01Å; I130-Y134 VanDerWaalsContact O-N 3.13Å; D131-Y134 PolarHBondContact O-N 3.22Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 2.72Å; Y134-K138 WeakPolarHBondContact O-CB 3.14Å; Y134-K138 PolarHBondContact O-N 3.28Å; Y134-K138 VanDerWaalsContact O-N 3.12Å |
| 135 | R | 93.3 | Very high | 89.2 | Confident | 155 Ų | 155 | 117.2 Ų | 117.2 | 59% | 0.585 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -49.8 | 176.3 | -174.5 | -172.5 | 67.6 | 141.9 | 1.2 | 111.7 | D131 E132 K137 K138 E139 | D131-R135 WeakPolarHBondContact O-CB 3.3Å; D131-R135 PolarHBondContact O-N 2.9Å; E132-R135 PolarHBondContact O-N 3.19Å; R135-K137 VanDerWaalsContact C-N 3.34Å; R135-K137 PolarHBondContact O-N 3.47Å; R135-K138 PolarHBondContact O-N 3.27Å; R135-E139 PolarHBondContact O-N 2.79Å; R135-E139 VanDerWaalsContact O-N 3.16Å |
| 136 | M | 90.8 | Very high | 89.7 | Confident | 111 Ų | 111 | 115.7 Ų | 115.7 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | -179.7 | -173.4 | 174.7 | 69 | 0 | 0 | 111.5 | E132 K138 E139 E140 | E132-M136 WeakPolarHBondContact O-CB 3.44Å; E132-M136 PolarHBondContact O-N 2.92Å; M136-K138 VanDerWaalsContact C-N 3.28Å; M136-K138 PolarHBondContact O-N 3.25Å; M136-E139 PolarHBondContact O-N 3.47Å; M136-E140 PolarHBondContact O-N 3.36Å |
| 137 | K | 93.8 | Very high | 90 | Very high | 101 Ų | 101 | 112 Ų | 112 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -36 | 176.6 | -174.3 | 175.1 | -178.8 | 178.4 | 0 | 112.8 | Y133 R135 E141 | Y133-K137 HydrophobicContact CE1-CD 4.27Å; Y133-K137 VanDerWaalsContact O-CB 3.28Å; Y133-K137 WeakPolarHBondContact O-CB 3.12Å; Y133-K137 PolarHBondContact O-N 3.45Å; R135-K137 VanDerWaalsContact C-N 3.34Å; R135-K137 PolarHBondContact O-N 3.47Å; K137-E141 PolarHBondContact O-N 3.46Å |
| 138 | K | 93 | Very high | 90.5 | Very high | 124 Ų | 124 | 114 Ų | 114 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 177.7 | -172.4 | 174 | -175.3 | -84.2 | 0 | 111.9 | Y134 R135 M136 E141 E142 | Y134-K138 WeakPolarHBondContact O-CB 3.14Å; Y134-K138 PolarHBondContact O-N 3.28Å; Y134-K138 VanDerWaalsContact O-N 3.12Å; R135-K138 PolarHBondContact O-N 3.27Å; M136-K138 VanDerWaalsContact C-N 3.28Å; M136-K138 PolarHBondContact O-N 3.25Å; K138-E141 PolarHBondContact O-N 3.46Å; K138-E142 WeakPolarHBondContact CE-OE1 3.49Å; K138-E142 IonicContact NZ-OE1 2.62Å; K138-E142 PolarHBondContact NZ-OE1 3.49Å; K138-E142 WeakPolarHBondContact O-CG 3.36Å; K138-E142 PolarHBondContact O-N 3.11Å |
| 139 | E | 90.6 | Very high | 90.9 | Very high | 104 Ų | 104 | 111 Ų | 111 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 177 | -171.8 | 170.8 | -164.3 | 0 | 0 | 111.3 | R135 M136 E141 E142 E143 | R135-E139 PolarHBondContact O-N 2.79Å; R135-E139 VanDerWaalsContact O-N 3.16Å; M136-E139 PolarHBondContact O-N 3.47Å; E139-E141 PolarHBondContact O-N 2.83Å; E139-E142 PolarHBondContact O-N 3.36Å; E139-E143 WeakPolarHBondContact O-CG 3.23Å; E139-E143 PolarHBondContact O-N 3.45Å |
| 140 | E | 91.7 | Very high | 91.2 | Very high | 111 Ų | 111 | 111.2 Ų | 111.2 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 174.7 | -174.7 | 174.9 | -151.8 | 0 | 0 | 112.1 | M136 E143 E144 | M136-E140 PolarHBondContact O-N 3.36Å; E140-E143 PolarHBondContact O-N 2.97Å; E140-E144 WeakPolarHBondContact O-CB 3.07Å; E140-E144 WeakPolarHBondContact O-CG 3.42Å; E140-E144 PolarHBondContact O-N 3.1Å |
| 141 | E | 92.4 | Very high | 91.4 | Very high | 114 Ų | 114 | 111.8 Ų | 111.8 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 177 | -170.7 | 171.4 | -162.4 | 0 | 0 | 112.1 | K137 K138 E139 E144 E145 | K137-E141 PolarHBondContact O-N 3.46Å; K138-E141 PolarHBondContact O-N 3.46Å; E139-E141 PolarHBondContact O-N 2.83Å; E141-E144 PolarHBondContact O-N 2.99Å; E141-E145 WeakPolarHBondContact O-CG 3.45Å; E141-E145 PolarHBondContact O-N 2.78Å |
| 142 | E | 91.4 | Very high | 91.5 | Very high | 98 Ų | 98 | 110.2 Ų | 110.2 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 175.8 | -74.8 | 174 | -171.1 | 0 | 0 | 112.1 | K138 E139 E145 E146 | K138-E142 WeakPolarHBondContact CE-OE1 3.49Å; K138-E142 IonicContact NZ-OE1 2.62Å; K138-E142 PolarHBondContact NZ-OE1 3.49Å; K138-E142 WeakPolarHBondContact O-CG 3.36Å; K138-E142 PolarHBondContact O-N 3.11Å; E139-E142 PolarHBondContact O-N 3.36Å; E142-E145 PolarHBondContact O-N 3.48Å; E142-E146 WeakPolarHBondContact O-CB 3.33Å; E142-E146 PolarHBondContact O-N 2.86Å |
| 143 | E | 90.3 | Very high | 91.6 | Very high | 123 Ų | 123 | 108.4 Ų | 108.4 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 175.1 | -76 | -175.2 | 177.8 | 0 | 0 | 111.7 | E139 E140 E146 N147 | E139-E143 WeakPolarHBondContact O-CG 3.23Å; E139-E143 PolarHBondContact O-N 3.45Å; E140-E143 PolarHBondContact O-N 2.97Å; E143-E146 PolarHBondContact O-N 2.71Å; E143-N147 WeakPolarHBondContact O-CB 3.31Å; E143-N147 PolarHBondContact O-N 2.79Å |
| 144 | E | 91.2 | Very high | 91.5 | Very high | 129 Ų | 129 | 108.4 Ų | 108.4 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 174.6 | -76.6 | -175.6 | 178.4 | 0 | 0 | 111.9 | E140 E141 R148 | E140-E144 WeakPolarHBondContact O-CB 3.07Å; E140-E144 WeakPolarHBondContact O-CG 3.42Å; E140-E144 PolarHBondContact O-N 3.1Å; E141-E144 PolarHBondContact O-N 2.99Å; E144-R148 VanDerWaalsContact O-CB 3.32Å; E144-R148 WeakPolarHBondContact O-CB 3.39Å; E144-R148 PolarHBondContact O-N 3.14Å |
| 145 | E | 92.1 | Very high | 91.5 | Very high | 100 Ų | 100 | 108.1 Ų | 108.1 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 176.2 | -74.6 | -167.5 | 162.8 | 0 | 0 | 112.5 | E141 E142 R148 L149 | E141-E145 WeakPolarHBondContact O-CG 3.45Å; E141-E145 PolarHBondContact O-N 2.78Å; E142-E145 PolarHBondContact O-N 3.48Å; E145-R148 PolarHBondContact O-N 3.46Å; E145-L149 WeakPolarHBondContact O-CB 3.48Å; E145-L149 WeakPolarHBondContact O-CG 3.27Å; E145-L149 PolarHBondContact O-N 3.02Å |
| 146 | E | 90.2 | Very high | 91.3 | Very high | 139 Ų | 139 | 108.7 Ų | 108.7 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 175.7 | -175.4 | 177.2 | -179 | 0 | 0 | 110.8 | E142 E143 R148 L149 S150 | E142-E146 WeakPolarHBondContact O-CB 3.33Å; E142-E146 PolarHBondContact O-N 2.86Å; E143-E146 PolarHBondContact O-N 2.71Å; E146-R148 VanDerWaalsContact C-N 3.32Å; E146-R148 PolarHBondContact O-N 2.91Å; E146-L149 PolarHBondContact O-N 2.99Å; E146-S150 WeakPolarHBondContact O-CB 3.39Å; E146-S150 PolarHBondContact O-N 3Å |
| 147 | N | 91 | Very high | 91.3 | Very high | 81 Ų | 81 | 110.2 Ų | 110.2 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -46 | 176.8 | -174.3 | 52 | 0 | 0 | 0 | 110.4 | E143 L149 S150 E151 | E143-N147 WeakPolarHBondContact O-CB 3.31Å; E143-N147 PolarHBondContact O-N 2.79Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-L149 PolarHBondContact O-N 3.26Å; N147-S150 WeakPolarHBondContact CA-OG 3.23Å; N147-S150 PolarHBondContact O-N 3.19Å; N147-S150 VanDerWaalsContact O-N 3.16Å; N147-S150 PolarHBondContact O-OG 3.27Å; N147-E151 PolarHBondContact ND2-OE1 2.98Å; N147-E151 WeakPolarHBondContact O-CB 3.04Å; N147-E151 WeakPolarHBondContact O-CG 3.41Å; N147-E151 PolarHBondContact O-N 3.47Å |
| 148 | R | 93.4 | Very high | 91.1 | Very high | 139 Ų | 139 | 109.6 Ų | 109.6 | 53% | 0.525 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 177.8 | -156 | -178.6 | 76.7 | -150.9 | -6.4 | 112.4 | E144 E145 E146 E152 | E144-R148 VanDerWaalsContact O-CB 3.32Å; E144-R148 WeakPolarHBondContact O-CB 3.39Å; E144-R148 PolarHBondContact O-N 3.14Å; E145-R148 PolarHBondContact O-N 3.46Å; E146-R148 VanDerWaalsContact C-N 3.32Å; E146-R148 PolarHBondContact O-N 2.91Å; R148-E152 WeakPolarHBondContact O-CB 3.14Å; R148-E152 WeakPolarHBondContact O-CG 3.23Å; R148-E152 PolarHBondContact O-N 3.4Å |
| 149 | L | 93.3 | Very high | 90.9 | Very high | 109 Ų | 109 | 109 Ų | 109 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -39.6 | 175.1 | -75.3 | 164.6 | 0 | 0 | 0 | 112 | E145 E146 N147 E152 A153 | E145-L149 WeakPolarHBondContact O-CB 3.48Å; E145-L149 WeakPolarHBondContact O-CG 3.27Å; E145-L149 PolarHBondContact O-N 3.02Å; E146-L149 PolarHBondContact O-N 2.99Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-L149 PolarHBondContact O-N 3.26Å; L149-E152 PolarHBondContact O-N 3.47Å; L149-A153 WeakPolarHBondContact O-CB 3.14Å; L149-A153 PolarHBondContact O-N 2.85Å |
| 150 | S | 90.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 109.9 Ų | 109.9 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 178.4 | 78.4 | 0 | 0 | 0 | 0 | 111.8 | E146 N147 E152 A153 E154 | E146-S150 WeakPolarHBondContact O-CB 3.39Å; E146-S150 PolarHBondContact O-N 3Å; N147-S150 WeakPolarHBondContact CA-OG 3.23Å; N147-S150 PolarHBondContact O-N 3.19Å; N147-S150 VanDerWaalsContact O-N 3.16Å; N147-S150 PolarHBondContact O-OG 3.27Å; S150-E152 VanDerWaalsContact C-N 3.32Å; S150-E152 PolarHBondContact O-N 3.34Å; S150-A153 PolarHBondContact O-N 2.99Å; S150-E154 WeakPolarHBondContact O-CB 3.44Å; S150-E154 PolarHBondContact O-N 3.01Å |
| 151 | E | 91.9 | Very high | 90.2 | Very high | 90 Ų | 90 | 111.8 Ų | 111.8 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 174.8 | -72.1 | 177.9 | -173.6 | 0 | 0 | 111.9 | N147 R155 | N147-E151 PolarHBondContact ND2-OE1 2.98Å; N147-E151 WeakPolarHBondContact O-CB 3.04Å; N147-E151 WeakPolarHBondContact O-CG 3.41Å; N147-E151 PolarHBondContact O-N 3.47Å; E151-R155 WeakPolarHBondContact O-CB 3.4Å; E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 3.5Å; E151-R155 PolarHBondContact O-NE 2.95Å |
| 152 | E | 92.2 | Very high | 89.7 | Confident | 74 Ų | 74 | 111.5 Ų | 111.5 | 35% | 0.346 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 171.9 | -77.5 | 177.6 | -159.3 | 0 | 0 | 112.3 | R148 L149 S150 R156 | R148-E152 WeakPolarHBondContact O-CB 3.14Å; R148-E152 WeakPolarHBondContact O-CG 3.23Å; R148-E152 PolarHBondContact O-N 3.4Å; L149-E152 PolarHBondContact O-N 3.47Å; S150-E152 VanDerWaalsContact C-N 3.32Å; S150-E152 PolarHBondContact O-N 3.34Å; E152-R156 WeakPolarHBondContact O-CG 3.37Å; E152-R156 PolarHBondContact O-N 2.94Å; E152-R156 VanDerWaalsContact O-N 3.17Å |
| 153 | A | 90.6 | Very high | 89 | Confident | 43 Ų | 43 | 112.4 Ų | 112.4 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -46 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L149 S150 R155 R156 F157 | L149-A153 WeakPolarHBondContact O-CB 3.14Å; L149-A153 PolarHBondContact O-N 2.85Å; S150-A153 PolarHBondContact O-N 2.99Å; A153-R155 VanDerWaalsContact C-N 3.35Å; A153-R155 PolarHBondContact O-N 2.67Å; A153-R156 WeakPolarHBondContact O-CB 3.22Å; A153-R156 PolarHBondContact O-N 2.86Å; A153-R156 VanDerWaalsContact O-N 3.15Å; A153-F157 WeakPolarHBondContact O-CD2 3.04Å; A153-F157 PolarHBondContact O-N 3.16Å |
| 154 | E | 87.8 | Confident | 88.1 | Confident | 128 Ų | 128 | 113.7 Ų | 113.7 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | 178.4 | -170.1 | 172.4 | -167.6 | 0 | 0 | 111.7 | S150 R156 F157 E158 | S150-E154 WeakPolarHBondContact O-CB 3.44Å; S150-E154 PolarHBondContact O-N 3.01Å; E154-R156 PolarHBondContact O-N 3.37Å; E154-F157 PolarHBondContact O-N 2.97Å; E154-E158 PolarHBondContact O-N 3.27Å |
| 155 | R | 90.6 | Very high | 86.8 | Confident | 141 Ų | 141 | 114.3 Ų | 114.3 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 172.6 | -77.9 | -174.7 | -69.6 | -170.9 | -0.1 | 112.7 | E151 A153 E158 E159 | E151-R155 WeakPolarHBondContact O-CB 3.4Å; E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 3.5Å; E151-R155 PolarHBondContact O-NE 2.95Å; A153-R155 VanDerWaalsContact C-N 3.35Å; A153-R155 PolarHBondContact O-N 2.67Å; R155-E158 PolarHBondContact O-N 3.36Å; R155-E159 WeakPolarHBondContact O-CB 3.24Å; R155-E159 VanDerWaalsContact O-CG 3.28Å; R155-E159 WeakPolarHBondContact O-CG 3.4Å; R155-E159 PolarHBondContact O-N 2.91Å |
| 156 | R | 89.6 | Confident | 85.3 | Confident | 166 Ų | 166 | 117 Ų | 117 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 175.5 | -73.4 | -176.4 | -175.4 | -176.9 | 6.1 | 112.2 | E152 A153 E154 E159 E160 | E152-R156 WeakPolarHBondContact O-CG 3.37Å; E152-R156 PolarHBondContact O-N 2.94Å; E152-R156 VanDerWaalsContact O-N 3.17Å; A153-R156 WeakPolarHBondContact O-CB 3.22Å; A153-R156 PolarHBondContact O-N 2.86Å; A153-R156 VanDerWaalsContact O-N 3.15Å; E154-R156 PolarHBondContact O-N 3.37Å; R156-E159 PolarHBondContact O-N 2.87Å; R156-E160 WeakPolarHBondContact O-CB 3.42Å; R156-E160 WeakPolarHBondContact O-CG 3.42Å; R156-E160 PolarHBondContact O-N 2.79Å |
| 157 | F | 89.2 | Confident | 83.5 | Confident | 144 Ų | 144 | 117 Ų | 117 | 63% | 0.632 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 176.5 | -82 | -66.2 | 0 | 0 | 0 | 112.3 | A153 E154 E160 R161 | A153-F157 WeakPolarHBondContact O-CD2 3.04Å; A153-F157 PolarHBondContact O-N 3.16Å; E154-F157 PolarHBondContact O-N 2.97Å; F157-E160 PolarHBondContact O-N 3.4Å; F157-R161 WeakPolarHBondContact O-CB 3.5Å; F157-R161 PolarHBondContact O-N 3.4Å |
| 158 | E | 90.2 | Very high | 81.3 | Confident | 87 Ų | 87 | 118.8 Ų | 118.8 | 41% | 0.407 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66 | -42 | 176.8 | -153.5 | 84.4 | -123.7 | 0 | 0 | 110.7 | E154 R155 E160 R161 E162 | E154-E158 PolarHBondContact O-N 3.27Å; R155-E158 PolarHBondContact O-N 3.36Å; E158-E160 PolarHBondContact O-N 2.96Å; E158-R161 PolarHBondContact O-N 3.11Å; E158-R161 IonicContact OE1-NH1 3.53Å; E158-E162 WeakPolarHBondContact O-CB 2.93Å; E158-E162 WeakPolarHBondContact O-CG 3.39Å; E158-E162 PolarHBondContact O-N 3.08Å |
| 159 | E | 89.3 | Confident | 79.2 | Confident | 113 Ų | 113 | 117.3 Ų | 117.3 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60 | -43.3 | 173.6 | -74.8 | 173.9 | -168.2 | 0 | 0 | 112.4 | R155 R156 Q163 | R155-E159 WeakPolarHBondContact O-CB 3.24Å; R155-E159 VanDerWaalsContact O-CG 3.28Å; R155-E159 WeakPolarHBondContact O-CG 3.4Å; R155-E159 PolarHBondContact O-N 2.91Å; R156-E159 PolarHBondContact O-N 2.87Å; E159-Q163 WeakPolarHBondContact O-CG 3.11Å; E159-Q163 PolarHBondContact O-N 2.97Å |
| 160 | E | 84.4 | Confident | 76.7 | Confident | 121 Ų | 121 | 120.2 Ų | 120.2 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.9 | -43 | 175.4 | -76.6 | 178 | -179.5 | 0 | 0 | 111.6 | R156 F157 E158 Q163 E164 | R156-E160 WeakPolarHBondContact O-CB 3.42Å; R156-E160 WeakPolarHBondContact O-CG 3.42Å; R156-E160 PolarHBondContact O-N 2.79Å; F157-E160 PolarHBondContact O-N 3.4Å; E158-E160 PolarHBondContact O-N 2.96Å; E160-Q163 WeakPolarHBondContact O-CB 3.49Å; E160-Q163 PolarHBondContact O-N 3.18Å; E160-E164 WeakPolarHBondContact O-CB 3.18Å; E160-E164 PolarHBondContact O-N 3.36Å |
| 161 | R | 82.9 | Confident | 74.6 | Confident | 152 Ų | 152 | 126.2 Ų | 126.2 | 57% | 0.574 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.1 | -40.7 | 177.7 | -169.1 | -168.7 | -165.9 | -159.3 | 6.7 | 112.2 | F157 E158 Q163 E164 M165 | F157-R161 WeakPolarHBondContact O-CB 3.5Å; F157-R161 PolarHBondContact O-N 3.4Å; E158-R161 PolarHBondContact O-N 3.11Å; E158-R161 IonicContact OE1-NH1 3.53Å; R161-Q163 VanDerWaalsContact C-N 3.33Å; R161-E164 PolarHBondContact O-N 2.9Å; R161-M165 WeakPolarHBondContact O-CB 3.14Å; R161-M165 PolarHBondContact O-N 3.04Å |
| 162 | E | 82.7 | Confident | 72.5 | Confident | 107 Ų | 107 | 130.1 Ų | 130.1 | 50% | 0.5 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66 | -35.1 | 175.1 | -75.6 | -173.3 | 172.9 | 0 | 0 | 112.1 | E158 Q166 | E158-E162 WeakPolarHBondContact O-CB 2.93Å; E158-E162 WeakPolarHBondContact O-CG 3.39Å; E158-E162 PolarHBondContact O-N 3.08Å; E162-Q166 WeakPolarHBondContact O-CG 3.04Å; E162-Q166 PolarHBondContact O-N 3.18Å; E162-Q166 PolarHBondContact O-NE2 3.46Å; E162-Q166 VanDerWaalsContact O-NE2 3.12Å |
| 163 | Q | 75.3 | Confident | 70.4 | Confident | 117 Ų | 117 | 132.2 Ų | 132.2 | 55% | 0.547 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69 | -40.8 | 172.1 | -75 | 177.6 | 43.2 | 0 | 0 | 112.3 | E159 E160 R161 Q166 Q167 | E159-Q163 WeakPolarHBondContact O-CG 3.11Å; E159-Q163 PolarHBondContact O-N 2.97Å; E160-Q163 WeakPolarHBondContact O-CB 3.49Å; E160-Q163 PolarHBondContact O-N 3.18Å; R161-Q163 VanDerWaalsContact C-N 3.33Å; Q163-Q166 PolarHBondContact O-N 3.38Å; Q163-Q167 PolarHBondContact O-N 3.49Å |
| 164 | E | 72.1 | Confident | 68.5 | Low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.4 | -38.6 | 178.2 | -158.7 | 178.1 | -157.9 | 0 | 0 | 111.2 | E160 R161 Q166 Q167 | E160-E164 WeakPolarHBondContact O-CB 3.18Å; E160-E164 PolarHBondContact O-N 3.36Å; R161-E164 PolarHBondContact O-N 2.9Å; E164-Q166 VanDerWaalsContact C-N 3.28Å; E164-Q166 PolarHBondContact O-N 3.33Å; E164-Q167 PolarHBondContact O-N 3.18Å; E164-Q167 VanDerWaalsContact O-N 3.13Å; E164-Q167 VanDerWaalsContact O-O 3.13Å |
| 165 | M | 62.9 | Low | 66.4 | Low | 142 Ų | 142 | 136 Ų | 136 | 70% | 0.7 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70 | -23.7 | 176 | -152.6 | -172.7 | -34.7 | 0 | 0 | 113.2 | R161 | R161-M165 WeakPolarHBondContact O-CB 3.14Å; R161-M165 PolarHBondContact O-N 3.04Å |
| 166 | Q | 60.4 | Low | 64 | Low | 158 Ų | 158 | 139.2 Ų | 139.2 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -9 | 172.5 | -78.9 | 171.4 | 69.9 | 0 | 0 | 113.3 | E162 Q163 E164 | E162-Q166 WeakPolarHBondContact O-CG 3.04Å; E162-Q166 PolarHBondContact O-N 3.18Å; E162-Q166 PolarHBondContact O-NE2 3.46Å; E162-Q166 VanDerWaalsContact O-NE2 3.12Å; Q163-Q166 PolarHBondContact O-N 3.38Å; E164-Q166 VanDerWaalsContact C-N 3.28Å; E164-Q166 PolarHBondContact O-N 3.33Å |
| 167 | Q | 53.2 | Low | 62.1 | Low | 137 Ų | 137 | 135 Ų | 135 | 64% | 0.64 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -97.5 | 128.1 | 173.4 | -70.5 | -177.4 | 50.1 | 0 | 0 | 111 | Q163 E164 A169 | Q163-Q167 PolarHBondContact O-N 3.49Å; E164-Q167 PolarHBondContact O-N 3.18Å; E164-Q167 VanDerWaalsContact O-N 3.13Å; E164-Q167 VanDerWaalsContact O-O 3.13Å; Q167-A169 PolarHBondContact O-N 3.27Å |
| 168 | P | 45.6 | Very low | 60.3 | Low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 132.9 | 177.9 | 27.7 | -31.3 | 0 | 0 | 0 | 110.5 | M170 | P168-M170 PolarHBondContact O-N 3.3Š|
| 169 | A | 49.2 | Very low | 58 | Low | 107 Ų | 107 | 137.5 Ų | 137.5 | 88% | 0.884 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 117.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q167 | Q167-A169 PolarHBondContact O-N 3.27Š|
| 170 | M | 40.6 | Very low | 56.3 | Low | 171 Ų | 171 | 137.8 Ų | 137.8 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | -125.9 | 111.1 | 159.2 | -109.2 | -166.9 | -71.2 | 0 | 0 | 110.3 | P168 | P168-M170 PolarHBondContact O-N 3.3Š| ||
| 171 | E | 46.3 | Very low | 54.5 | Low | 182 Ų | 182 | 138.9 Ų | 138.9 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | trans | 60.4 | 111.8 | 149.7 | -62 | -168.9 | 150.3 | 0 | 0 | 120.5 | ||||
| 172 | Q | 46.7 | Very low | 53.2 | Low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | -51.4 | 135.1 | 154.9 | -176.4 | -173 | 54.1 | 0 | 0 | 111.9 | ||||
| 173 | P | 48 | Very low | 52 | Low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -101.6 | 115.1 | 154.9 | 28.8 | -15.8 | 0 | 0 | 0 | 109.6 | G175 | P173-G175 PolarHBondContact O-N 3.48Š| ||
| 174 | E | 50.6 | Low | 50.7 | Low | 184 Ų | 184 | 140.4 Ų | 140.4 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -54.1 | 120.3 | 158.1 | -75.2 | -173 | 119.3 | 0 | 0 | 109.2 | ||||
| 175 | G | 44.1 | Very low | 49.7 | Very low | 67 Ų | 67 | 141.2 Ų | 141.2 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -153.1 | 71.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P173 | P173-G175 PolarHBondContact O-N 3.48Š| ||
| 176 | K | 40.4 | Very low | 49.1 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | trans | 44.1 | 92.4 | 153.8 | -59 | 179.9 | -176.6 | 177 | 0 | 116.6 | S178 | K176-S178 PolarHBondContact O-N 3.38Š| ||
| 177 | A | 50 | Low | 48.3 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | trans | -60.4 | 108.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | F179 | A177-F179 HydrophobicContact CB-CD1 4.14Å; A177-F179 HydrophobicContact CB-CE1 3.66Å; A177-F179 HydrophobicContact CB-CZ 4.32Å; A177-F179 WeakPolarHBondContact O-CE1 3.46Å; A177-F179 WeakPolarHBondContact O-CE2 3.36Å; A177-F179 WeakPolarHBondContact O-CZ 3.32Å; A177-F179 PolarHBondContact O-N 3.32Å | ||
| 178 | S | 51.2 | Low | 48.1 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -83.9 | 90.5 | 169.8 | 167.1 | 0 | 0 | 0 | 0 | 108.6 | K176 V180 | K176-S178 PolarHBondContact O-N 3.38Å; S178-V180 PolarHBondContact O-N 3.29Å | ||
| 179 | F | 43 | Very low | 47.6 | Very low | 181 Ų | 181 | 144 Ų | 144 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -69 | 109.5 | 168.9 | -7.6 | -90.5 | 0 | 0 | 0 | 108.4 | A177 N181 | A177-F179 HydrophobicContact CB-CD1 4.14Å; A177-F179 HydrophobicContact CB-CE1 3.66Å; A177-F179 HydrophobicContact CB-CZ 4.32Å; A177-F179 WeakPolarHBondContact O-CE1 3.46Å; A177-F179 WeakPolarHBondContact O-CE2 3.36Å; A177-F179 WeakPolarHBondContact O-CZ 3.32Å; A177-F179 PolarHBondContact O-N 3.32Å; F179-N181 PolarHBondContact O-N 3.24Å | ||
| 180 | V | 53 | Low | 47.2 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -80.9 | 109.2 | 174.4 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | S178 V182 | S178-V180 PolarHBondContact O-N 3.29Å; V180-V182 PolarHBondContact O-N 2.87Å | ||
| 181 | N | 45.8 | Very low | 47.2 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -77.6 | 99 | 177 | -172.1 | 29.2 | 0 | 0 | 0 | 109.8 | F179 T183 | F179-N181 PolarHBondContact O-N 3.24Å; N181-T183 PolarHBondContact O-N 2.98Å | ||
| 182 | V | 55.8 | Low | 47.3 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -81.5 | 104.2 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | V180 | V180-V182 PolarHBondContact O-N 2.87Š| ||
| 183 | T | 57.7 | Low | 46.9 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | -82.8 | 118.8 | 169.3 | -58.5 | 0 | 0 | 0 | 0 | 108.2 | N181 | N181-T183 PolarHBondContact O-N 2.98Š| ||
| 184 | F | 47.8 | Very low | 47 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -93.4 | 109.1 | 174.5 | -165.5 | -94.3 | 0 | 0 | 0 | 108.5 | L186 | F184-L186 HydrophobicContact CD1-CB 4.31Å; F184-L186 HydrophobicContact CE1-CB 4.4Å; F184-L186 HydrophobicContact CE1-CD1 3.99Å; F184-L186 PolarHBondContact O-N 2.92Å | ||
| 185 | E | 50.9 | Low | 47.1 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -82.9 | 105.2 | 171.8 | -158.9 | 167.1 | -170.6 | 0 | 0 | 107.7 | D187 | E185-D187 PolarHBondContact O-N 2.93Š| ||
| 186 | L | 50.2 | Low | 47.1 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | -84.9 | 91 | 176.7 | -178.2 | 75.8 | 0 | 0 | 0 | 108.1 | F184 Q188 | F184-L186 HydrophobicContact CD1-CB 4.31Å; F184-L186 HydrophobicContact CE1-CB 4.4Å; F184-L186 HydrophobicContact CE1-CD1 3.99Å; F184-L186 PolarHBondContact O-N 2.92Å; L186-Q188 PolarHBondContact O-N 3.45Å; L186-Q188 VanDerWaalsContact O-N 3.15Å | ||
| 187 | D | 45.1 | Very low | 48 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -68.2 | 110.4 | 166.3 | -88.6 | -32.4 | 0 | 0 | 0 | 109.2 | E185 | E185-D187 PolarHBondContact O-N 2.93Š| ||
| 188 | Q | 48.5 | Very low | 48.6 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -97.1 | 92.3 | 177.2 | -174.7 | 177.4 | 35.1 | 0 | 0 | 108.3 | L186 | L186-Q188 PolarHBondContact O-N 3.45Å; L186-Q188 VanDerWaalsContact O-N 3.15Å | ||
| 189 | D | 34.2 | Very low | 49.4 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -123.3 | 101.8 | 161.6 | -91 | -29.3 | 0 | 0 | 0 | 110.2 | ||||
| 190 | A | 41.5 | Very low | 50.5 | Low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -89.9 | 111.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 191 | T | 40 | Very low | 50.9 | Low | 137 Ų | 137 | 142.6 Ų | 142.6 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -140.6 | 112.5 | 149.3 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 192 | S | 47.9 | Very low | 51.6 | Low | 121 Ų | 121 | 141.6 Ų | 141.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -57.9 | 127.1 | 168.3 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 193 | D | 38.7 | Very low | 51.6 | Low | 161 Ų | 161 | 146.1 Ų | 146.1 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -127.2 | 101.5 | 159.4 | -140 | -15.3 | 0 | 0 | 0 | 110.4 | N195 | D193-N195 PolarHBondContact O-N 3.1Å; D193-N195 VanDerWaalsContact O-N 3.16Å | ||
| 194 | A | 49.9 | Very low | 51.2 | Low | 87 Ų | 87 | 147.6 Ų | 147.6 | 72% | 0.719 | 82% | 0.823 | S | S | * | * | trans | -77.7 | 88.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 195 | N | 53.6 | Low | 51.4 | Low | 139 Ų | 139 | 146.3 Ų | 146.3 | 74% | 0.743 | 83% | 0.827 | S | S | * | * | trans | 179.7 | 90.6 | 154.5 | -94.3 | -38 | 0 | 0 | 0 | 110.8 | D193 | D193-N195 PolarHBondContact O-N 3.1Å; D193-N195 VanDerWaalsContact O-N 3.16Å | ||
| 196 | R | 44.9 | Very low | 51.5 | Low | 247 Ų | 247 | 145.1 Ų | 145.1 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -143 | 105.1 | 158.7 | -152.6 | 167.2 | -162.3 | 150.6 | 3.8 | 110.1 | ||||
| 197 | F | 58.4 | Low | 51.5 | Low | 179 Ų | 179 | 146 Ų | 146 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -62 | 146 | 176 | -68.3 | -87.6 | 0 | 0 | 0 | 111.2 | ||
| 198 | P | 62.4 | Low | 51.9 | Low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 146 | 178.3 | 28.8 | -32.8 | 0 | 0 | 0 | 111.9 | ||
| 199 | A | 67 | Low | 52.2 | Low | 89 Ų | 89 | 144.3 Ų | 144.3 | 74% | 0.736 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 150.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 200 | P | 67.1 | Low | 53.4 | Low | 125 Ų | 125 | 142.7 Ų | 142.7 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 147.5 | -176.4 | 31.7 | -32.5 | 0 | 0 | 0 | 112.1 | ||
| 201 | I | 61.5 | Low | 54.4 | Low | 160 Ų | 160 | 146.6 Ų | 146.6 | 82% | 0.821 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 134 | 179.3 | -43.6 | 170.3 | 0 | 0 | 0 | 108.4 | ||
| 202 | P | 60.4 | Low | 55.6 | Low | 123 Ų | 123 | 147.4 Ų | 147.4 | 80% | 0.799 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133.9 | 179.6 | 29.5 | -32.6 | 0 | 0 | 0 | 111.6 | ||
| 203 | T | 54.9 | Low | 56.3 | Low | 214 Ų | 214 | 149.8 Ų | 149.8 | 100% | 1.313 | 85% | 0.848 | S | S | * | * | trans | -78.7 | 0 | 161.2 | 32.4 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 203 of 203 residues in 311.4 ms
(Link to these results)