| 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 | 32.1 | Very low | 33.1 | Very low | 238 Ų | 238 | 167.5 Ų | 167.5 | 100% | 1.172 | 82% | 0.821 | S | S | * | * | 0 | 78.6 | 0 | -68.5 | 176.5 | 177.7 | 0 | 0 | 106.7 | |||||
| 2 | V | 23.2 | Very low | 33.8 | Very low | 122 Ų | 122 | 162.8 Ų | 162.8 | 74% | 0.739 | 82% | 0.817 | S | S | * | * | 55.1 | 104.4 | 105.4 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 3 | F | 30.2 | Very low | 33.9 | Very low | 200 Ų | 200 | 162.6 Ų | 162.6 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | -170.8 | 116.4 | 114.4 | -101.1 | -75.7 | 0 | 0 | 0 | 109.9 | |||||
| 4 | N | 25.4 | Very low | 34.1 | Very low | 134 Ų | 134 | 159.1 Ų | 159.1 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | trans | -79.4 | 151.1 | 171.2 | -97.3 | -31.7 | 0 | 0 | 0 | 110.3 | ||||
| 5 | L | 34.4 | Very low | 34.3 | Very low | 178 Ų | 178 | 154.9 Ų | 154.9 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -144.9 | 107.6 | 141.4 | -123.3 | 108 | 0 | 0 | 0 | 109.8 | ||||
| 6 | E | 33.2 | Very low | 34.3 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -71.9 | 145.9 | 169.3 | -72.3 | 158.9 | 106.1 | 0 | 0 | 111.5 | ||||
| 7 | K | 40.3 | Very low | 34 | Very low | 177 Ų | 177 | 160.7 Ų | 160.7 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | 175 | 132.9 | 112.5 | -108.7 | -172.6 | 167.9 | 169.7 | 0 | 114 | |||||
| 8 | Q | 37.1 | Very low | 33.9 | Very low | 142 Ų | 142 | 163.3 Ų | 163.3 | 66% | 0.664 | 83% | 0.828 | S | S | * | * | trans | 74 | 132.5 | 144.7 | -63.9 | 177.7 | -12.7 | 0 | 0 | 117.2 | ||||
| 9 | R | 33.7 | Very low | 33.7 | Very low | 222 Ų | 222 | 163.8 Ų | 163.8 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | cis | -161.4 | 150.8 | 13 | -125 | 170.4 | 175.1 | 162.7 | -5.3 | 109.6 | ||||
| 10 | A | 37.1 | Very low | 33.9 | Very low | 87 Ų | 87 | 160.9 Ų | 160.9 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | trans | -22.5 | 148.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 11 | E | 37.6 | Very low | 33.9 | Very low | 180 Ų | 180 | 163.5 Ų | 163.5 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | -162 | 141.5 | 66.1 | -79.8 | 168.1 | 167.6 | 0 | 0 | 113.8 | |||||
| 12 | S | 41.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | 36.7 | 138.7 | 145.3 | 63.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 13 | N | 34.5 | Very low | 34.1 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | cis | -168 | 156.3 | 23.1 | -151.9 | 8.4 | 0 | 0 | 0 | 108.4 | ||||
| 14 | P | 36.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 158.7 Ų | 158.7 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | trans | -106.8 | 162.6 | -165.8 | 39.7 | -29.9 | 0 | 0 | 0 | 114.3 | ||||
| 15 | A | 37.3 | Very low | 34 | Very low | 95 Ų | 95 | 159 Ų | 159 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -178.2 | 130.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 16 | L | 33.7 | Very low | 33.6 | Very low | 177 Ų | 177 | 156.5 Ų | 156.5 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | 89.5 | 103.5 | 156.7 | -58.3 | 176.3 | 0 | 0 | 0 | 120.7 | ||||
| 17 | R | 29.5 | Very low | 33.3 | Very low | 232 Ų | 232 | 156 Ų | 156 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -71.9 | 141.9 | 162.5 | -75.6 | 173.1 | 163.7 | 171.6 | -6 | 111.8 | ||||
| 18 | F | 32.5 | Very low | 32.6 | Very low | 207 Ų | 207 | 152.3 Ų | 152.3 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | -157.3 | 127.3 | 124 | -135.2 | -95.1 | 0 | 0 | 0 | 110.1 | |||||
| 19 | E | 30.3 | Very low | 32 | Very low | 173 Ų | 173 | 154 Ų | 154 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -84.3 | 139.9 | 180 | -72.6 | 170.8 | 98.6 | 0 | 0 | 111.5 | ||||
| 20 | S | 37.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 155.1 Ų | 155.1 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | -177.7 | 113.4 | 124.8 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 21 | K | 34.7 | Very low | 31.3 | Very low | 215 Ų | 215 | 161.9 Ų | 161.9 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | trans | 54 | 113.3 | 137.5 | -58.4 | 177.3 | -178.8 | 177.6 | 0 | 119.4 | ||||
| 22 | G | 32.5 | Very low | 30.9 | Very low | 81 Ų | 81 | 159.4 Ų | 159.4 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 142.3 | 69.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 23 | L | 25.9 | Very low | 30.3 | Very low | 161 Ų | 161 | 158.9 Ų | 158.9 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -50.3 | 137.8 | 162.2 | -82.2 | 156.5 | 0 | 0 | 0 | 111.4 | ||||
| 24 | R | 27.4 | Very low | 29.9 | Very low | 218 Ų | 218 | 156.6 Ų | 156.6 | 82% | 0.823 | 82% | 0.818 | S | S | * | * | cis | -151.5 | 125.5 | 9.8 | -79.2 | 175.1 | -173.4 | 178.7 | 1.6 | 109.7 | ||||
| 25 | I | 26.9 | Very low | 29.3 | Very low | 141 Ų | 141 | 161.4 Ų | 161.4 | 72% | 0.723 | 83% | 0.827 | S | S | * | * | trans | 26 | 116.8 | 138.1 | -44.9 | 173.9 | 0 | 0 | 0 | 119.3 | L27 | I25-L27 HydrophobicContact CG2-CB 4.5Å; I25-L27 HydrophobicContact CG2-CD1 3.98Å; I25-L27 HydrophobicContact CG2-CG 4.22Å | ||
| 26 | P | 25.1 | Very low | 28.9 | Very low | 124 Ų | 124 | 167.2 Ų | 167.2 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | trans | -99.1 | 116.2 | 161.8 | 32.8 | -22 | 0 | 0 | 0 | 111.8 | ||||
| 27 | L | 26.9 | Very low | 28.5 | Very low | 152 Ų | 152 | 163.6 Ų | 163.6 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -158.1 | 156.2 | 171.9 | -81.8 | 169.3 | 0 | 0 | 0 | 109.6 | I25 | I25-L27 HydrophobicContact CG2-CB 4.5Å; I25-L27 HydrophobicContact CG2-CD1 3.98Å; I25-L27 HydrophobicContact CG2-CG 4.22Å | ||
| 28 | P | 27.3 | Very low | 28.5 | Very low | 100 Ų | 100 | 156 Ų | 156 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | cis | -130.8 | 162.6 | -36.7 | 34.3 | -17.6 | 0 | 0 | 0 | 112.3 | R30 | P28-R30 PolarHBondContact O-N 3.05Å; P28-R30 VanDerWaalsContact O-N 3.14Å | ||
| 29 | L | 24.5 | Very low | 28.4 | Very low | 178 Ų | 178 | 153 Ų | 153 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | -43.4 | 113.7 | 163.7 | -65 | 162.8 | 0 | 0 | 0 | 111.2 | ||||
| 30 | R | 28.3 | Very low | 28.4 | Very low | 245 Ų | 245 | 146.2 Ų | 146.2 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -90.4 | 113.7 | 169.8 | -85.8 | -168.9 | 178.6 | -152.6 | 0.9 | 110.3 | P28 | P28-R30 PolarHBondContact O-N 3.05Å; P28-R30 VanDerWaalsContact O-N 3.14Å | ||
| 31 | R | 27.3 | Very low | 28.6 | Very low | 230 Ų | 230 | 144.7 Ų | 144.7 | 87% | 0.868 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 154.5 | 162.1 | -77 | -178.8 | -169 | -148.9 | 1.1 | 111.3 | S33 | R31-S33 PolarHBondContact O-N 2.82Š|
| 32 | P | 28.5 | Very low | 28.7 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.5 | -176.1 | 26 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 33 | S | 28.6 | Very low | 28.8 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 140.2 | 170.5 | 33.9 | 0 | 0 | 0 | 0 | 110.3 | R31 | R31-S33 PolarHBondContact O-N 2.82Š|
| 34 | P | 26.3 | Very low | 29.2 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 147.1 | -178.6 | 30.3 | -33.3 | 0 | 0 | 0 | 110.2 | R36 | P34-R36 PolarHBondContact O-N 2.79Å; P34-R36 VanDerWaalsContact O-N 3.17Å |
| 35 | K | 25.2 | Very low | 29.9 | Very low | 215 Ų | 215 | 138.7 Ų | 138.7 | 94% | 0.935 | 69% | 0.687 | S | S | * | * | trans | -43.8 | 116.4 | 175.7 | -61.8 | 177.8 | 179.4 | -179 | 0 | 110 | ||||
| 36 | R | 27.9 | Very low | 30.3 | Very low | 218 Ų | 218 | 141.1 Ų | 141.1 | 82% | 0.823 | 70% | 0.695 | S | S | * | * | trans | -93 | 143.2 | 169.3 | -65.8 | -172.8 | -168.3 | -128.2 | 3.3 | 108.8 | P34 | P34-R36 PolarHBondContact O-N 2.79Å; P34-R36 VanDerWaalsContact O-N 3.17Å | ||
| 37 | P | 26.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | trans | -62.4 | 143.4 | 170.8 | -9.3 | 24.7 | 0 | 0 | 0 | 109.2 | H39 | P37-H39 PolarHBondContact O-N 2.69Å; P37-H39 VanDerWaalsContact O-N 3.08Å | ||
| 38 | I | 28.3 | Very low | 31.2 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 37% | 0.369 | 69% | 0.693 | S | S | . | * | trans | -63.1 | 111.6 | 174.5 | -67.1 | 162.9 | 0 | 0 | 0 | 107.3 | I187 | I38-I187 WeakPolarHBondContact CD1-O 3.24Š| ||
| 39 | H | 30.9 | Very low | 31.4 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | trans | -88.2 | 126.1 | 163.7 | -77.8 | -75.7 | 0 | 0 | 0 | 107.6 | P37 I41 | P37-H39 PolarHBondContact O-N 2.69Å; P37-H39 VanDerWaalsContact O-N 3.08Å; H39-I41 HydrophobicContact CB-CG1 4.28Å; H39-I41 WeakPolarHBondContact O-CG1 3.42Å; H39-I41 PolarHBondContact O-N 2.87Å | ||
| 40 | V | 31.4 | Very low | 31.7 | Very low | 31 Ų | 31 | 136.4 Ų | 136.4 | 19% | 0.188 | 69% | 0.689 | C | S | . | * | trans | -61.8 | 106.2 | 159.2 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | W42 E185 | V40-W42 HydrophobicContact CG1-CD2 4.48Å; V40-W42 HydrophobicContact CG1-CZ2 3.92Å; V40-W42 PolarHBondContact O-N 3.13Å; V40-E185 HydrophobicContact CG2-CB 4.47Å | ||
| 41 | I | 39.7 | Very low | 31.7 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 39% | 0.385 | 68% | 0.679 | S | S | . | * | trans | -87.5 | 107.6 | -174.7 | -74.1 | 159.2 | 0 | 0 | 0 | 108.5 | H39 K43 W171 | H39-I41 HydrophobicContact CB-CG1 4.28Å; H39-I41 WeakPolarHBondContact O-CG1 3.42Å; H39-I41 PolarHBondContact O-N 2.87Å; I41-K43 VanDerWaalsContact C-N 3.27Å; I41-K43 WeakPolarHBondContact CG2-O 3.46Å; I41-W171 HydrophobicContact CD1-CH2 3.87Å | ||
| 42 | W | 38.4 | Very low | 31.9 | Very low | 149 Ų | 149 | 124 Ų | 124 | 56% | 0.564 | 67% | 0.67 | S | S | * | * | trans | -87.8 | 10.2 | 172 | -55.5 | 91.3 | 0 | 0 | 0 | 112.8 | V40 | V40-W42 HydrophobicContact CG1-CD2 4.48Å; V40-W42 HydrophobicContact CG1-CZ2 3.92Å; V40-W42 PolarHBondContact O-N 3.13Å | ||
| 43 | K | 34.6 | Very low | 31.9 | Very low | 169 Ų | 169 | 125.1 Ų | 125.1 | 74% | 0.735 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -133.7 | 134.6 | -172.9 | -69.4 | -172.3 | 177.3 | -177.6 | 0 | 111.7 | I41 | I41-K43 VanDerWaalsContact C-N 3.27Å; I41-K43 WeakPolarHBondContact CG2-O 3.46Å |
| 44 | K | 32.6 | Very low | 31.9 | Very low | 153 Ų | 153 | 129 Ų | 129 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | trans | -44.1 | 124.2 | 175.3 | -172.5 | 177.5 | -177.9 | 179 | 0 | 112 | E46 | K44-E46 PolarHBondContact O-N 2.92Š| ||
| 45 | P | 41.8 | Very low | 32.1 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 50% | 0.5 | 67% | 0.667 | S | S | . | * | trans | -64.5 | 129 | 171.2 | 23.4 | -28.5 | 0 | 0 | 0 | 109.4 | S47 | P45-S47 PolarHBondContact O-N 3.32Š| ||
| 46 | E | 35.7 | Very low | 32.5 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 90% | 0.897 | 66% | 0.663 | S | S | * | * | trans | -66 | 106.7 | 177 | -67.3 | -178.9 | 163.2 | 0 | 0 | 109.2 | K44 S48 | K44-E46 PolarHBondContact O-N 2.92Å; E46-S48 PolarHBondContact O-N 3.47Å | ||
| 47 | S | 35.3 | Very low | 32.8 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | trans | -71.1 | 109.8 | 172.1 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | P45 A49 | P45-S47 PolarHBondContact O-N 3.32Å; S47-A49 PolarHBondContact O-N 3.39Å; S47-A49 VanDerWaalsContact O-N 3.11Å | ||
| 48 | S | 36.2 | Very low | 33.2 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -57.7 | 112.4 | 169.2 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | E46 N50 | E46-S48 PolarHBondContact O-N 3.47Å; S48-N50 PolarHBondContact O-N 2.99Å | ||
| 49 | A | 30.9 | Very low | 33.5 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | trans | -58.6 | 118.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S47 | S47-A49 PolarHBondContact O-N 3.39Å; S47-A49 VanDerWaalsContact O-N 3.11Å | ||
| 50 | N | 30.4 | Very low | 33.8 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | 174.6 | 142 | 119.1 | -104 | -48.3 | 0 | 0 | 0 | 113.8 | S48 | S48-N50 PolarHBondContact O-N 2.99Š| |||
| 51 | V | 28.9 | Very low | 34.1 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 72% | 0.715 | 69% | 0.692 | S | S | * | * | trans | 82.7 | 94.4 | 147.2 | 178.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 52 | S | 31.3 | Very low | 33.9 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | 67.2 | 125.6 | 117.5 | -58.4 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 53 | Q | 30.1 | Very low | 33.8 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | 91.8 | 104.3 | 138.7 | -78.7 | 174.1 | -36 | 0 | 0 | 118.8 | ||||
| 54 | R | 28.2 | Very low | 33.5 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | trans | 76.8 | 138.6 | 132.2 | -60.2 | 175 | -175.4 | -134.3 | 2.7 | 115.2 | ||||
| 55 | R | 30.5 | Very low | 33.6 | Very low | 210 Ų | 210 | 124.8 Ų | 124.8 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | cis | -173.3 | 140.8 | -2.4 | -108.4 | 175.9 | -162.8 | -155.2 | 2.4 | 106.2 | ||||
| 56 | G | 32.1 | Very low | 33.2 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | 78.7 | 123.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 57 | G | 34.2 | Very low | 33.1 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | cis | 91.9 | 90.7 | 23.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 58 | F | 35.8 | Very low | 32.9 | Very low | 198 Ų | 198 | 133.6 Ų | 133.6 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | 83.2 | 137.1 | 79.9 | -86.3 | -67.6 | 0 | 0 | 0 | 116.6 | |||||
| 59 | A | 35.1 | Very low | 33 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 50% | 0.504 | 75% | 0.748 | S | S | . | * | trans | -161.4 | 115.8 | 154 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 60 | F | 36 | Very low | 33.4 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | 65.6 | 154.9 | 92 | -80.3 | -66.5 | 0 | 0 | 0 | 115.9 | |||||
| 61 | P | 37.7 | Very low | 33.6 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 49% | 0.494 | 75% | 0.747 | S | S | . | * | cis | -153.8 | 170.9 | 38.2 | 43.7 | -20.9 | 0 | 0 | 0 | 121 | ||||
| 62 | T | 35.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | 52.7 | 130.2 | 139.1 | 52.9 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 63 | S | 37.7 | Very low | 34.5 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | 137.3 | 152.2 | 110.8 | 66.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 64 | C | 28 | Very low | 34.6 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -124.3 | 146.4 | -162.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 65 | S | 34.9 | Very low | 35.1 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -172.3 | 114.4 | 154.2 | -77 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 66 | R | 32.3 | Very low | 35.4 | Very low | 226 Ų | 226 | 132 Ų | 132 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 88.3 | 136.7 | 60.2 | -153.1 | -176.6 | -169.6 | -177.6 | 3.5 | 113.2 | |||||
| 67 | Q | 35 | Very low | 35.6 | Very low | 166 Ų | 166 | 139 Ų | 139 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 94.7 | 133.4 | 172.4 | -63.3 | 176 | -25.6 | 0 | 0 | 113.8 | ||||
| 68 | E | 30.2 | Very low | 35.9 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | cis | -170.4 | 163.8 | 35.3 | -138.9 | 166.8 | 157.4 | 0 | 0 | 113 | ||||
| 69 | S | 37.4 | Very low | 36.1 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 78.9 | 146.9 | 148.7 | 80.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 70 | A | 40.9 | Very low | 36.3 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | -157.1 | 157.8 | 4.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 71 | S | 33.6 | Very low | 36.2 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -75.6 | 148.8 | 168.8 | 49 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 72 | H | 40.6 | Very low | 36.4 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -169.1 | 154.8 | 140.4 | -90.8 | -57 | 0 | 0 | 0 | 112.1 | ||||
| 73 | P | 38.5 | Very low | 36.6 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -118.5 | 174.9 | -138.7 | 40.6 | -29 | 0 | 0 | 0 | 117.3 | ||||
| 74 | A | 33 | Very low | 36.5 | Very low | 89 Ų | 89 | 151.5 Ų | 151.5 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -68.5 | 155.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 75 | K | 39.3 | Very low | 37.3 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -177.1 | 126.5 | 130.5 | -101 | 162 | -172.8 | 174 | 0 | 115.1 | ||||
| 76 | K | 36.8 | Very low | 37.5 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | 85.7 | 126.8 | 130.7 | -83.8 | -180 | 178.1 | -178.7 | 0 | 123.3 | ||||
| 77 | R | 35.9 | Very low | 37.6 | Very low | 228 Ų | 228 | 151.7 Ų | 151.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 79.8 | 137 | 142.6 | -71.2 | 171 | 99.8 | 170.3 | 4.9 | 115.3 | ||||
| 78 | S | 39.1 | Very low | 37.7 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | cis | -171.1 | 142.4 | 16.6 | 34.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 79 | V | 40.5 | Very low | 38.1 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | 59 | 108.5 | 132.7 | -173.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 80 | L | 38.5 | Very low | 38.3 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | -157.7 | 139.9 | 120.9 | -130 | 82.7 | 0 | 0 | 0 | 110.9 | |||||
| 81 | R | 35.7 | Very low | 37.9 | Very low | 224 Ų | 224 | 153.1 Ų | 153.1 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -97 | 168 | -166.6 | -78.7 | 172.7 | 149.1 | -170.4 | -6.2 | 113.3 | ||||
| 82 | R | 40.6 | Very low | 38.6 | Very low | 247 Ų | 247 | 154.9 Ų | 154.9 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | 108.1 | 130.8 | 152.3 | -59.7 | 170.2 | -169.4 | 172.2 | 3.5 | 112.8 | ||||
| 83 | A | 40.6 | Very low | 38.5 | Very low | 105 Ų | 105 | 155 Ų | 155 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | cis | -156.2 | 151.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 84 | S | 36 | Very low | 38.8 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -101.8 | 149.5 | 176.5 | -166.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 85 | K | 44.2 | Very low | 39.2 | Very low | 178 Ų | 178 | 159.7 Ų | 159.7 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | 161 | 106.3 | 149.8 | -92.4 | 170 | 179.4 | -171.2 | 0 | 109.7 | ||||
| 86 | E | 39.2 | Very low | 39.4 | Very low | 161 Ų | 161 | 155.9 Ų | 155.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 87.2 | 109.5 | 84.5 | -82.8 | 175.9 | 178.4 | 0 | 0 | 113.9 | |||||
| 87 | T | 34 | Very low | 39.6 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | 59.8 | 107.1 | 129.1 | -32.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 88 | S | 38.2 | Very low | 40.2 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -149.9 | 102.4 | 144.4 | -165.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 89 | T | 38.3 | Very low | 40.5 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | trans | -67.2 | 160.3 | 160.8 | 37.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 90 | R | 41 | Very low | 41.4 | Very low | 220 Ų | 220 | 154.6 Ų | 154.6 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | 101.1 | 124.4 | 171 | -69.3 | -165.8 | 169.5 | 107.8 | -3.3 | 114.1 | ||||
| 91 | N | 33.2 | Very low | 42.4 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | cis | -152.5 | 158.5 | 11.4 | -71.2 | -46.8 | 0 | 0 | 0 | 106.1 | ||||
| 92 | V | 46.7 | Very low | 44 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | -173.9 | 133.9 | 80 | 167.3 | 0 | 0 | 0 | 0 | 107 | |||||
| 93 | F | 38.6 | Very low | 46.1 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | -62.4 | 145.5 | 179.3 | -86.4 | -114.6 | 0 | 0 | 0 | 113.6 | ||||
| 94 | L | 44.8 | Very low | 48.2 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | 177.5 | 84.3 | 131.7 | -87.3 | 177.2 | 0 | 0 | 0 | 105.3 | ||||
| 95 | D | 42.5 | Very low | 50.6 | Low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | 53.8 | 116.2 | 106.5 | -147.6 | 7.4 | 0 | 0 | 0 | 114.3 | |||||
| 96 | T | 43.5 | Very low | 52.6 | Low | 111 Ų | 111 | 130.1 Ų | 130.1 | 68% | 0.681 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 82.9 | 106.9 | 169.5 | 74.5 | 0 | 0 | 0 | 0 | 120.3 | ||
| 97 | K | 41.6 | Very low | 54.9 | Low | 195 Ų | 195 | 122.6 Ų | 122.6 | 85% | 0.848 | 64% | 0.639 | S | S | * | * | trans | 49.8 | 79.2 | 139.3 | -58.1 | -179.1 | 178.3 | -177.5 | 0 | 119.7 | ||||
| 98 | D | 47.2 | Very low | 57.5 | Low | 161 Ų | 161 | 119.8 Ų | 119.8 | 86% | 0.861 | 62% | 0.624 | S | S | * | * | trans | -103.1 | 79.2 | 158.1 | -81.4 | -38.8 | 0 | 0 | 0 | 110.7 | V100 | D98-V100 VanDerWaalsContact C-N 3.34Å; D98-V100 PolarHBondContact O-N 3.32Å | ||
| 99 | V | 46.7 | Very low | 59.7 | Low | 119 Ų | 119 | 119 Ų | 119 | 72% | 0.721 | 61% | 0.61 | S | S | * | * | trans | -67.7 | 99.8 | 160.4 | -178 | 0 | 0 | 0 | 0 | 105.3 | E101 | V99-E101 PolarHBondContact O-N 2.99Š| ||
| 100 | V | 57.7 | Low | 62.1 | Low | 122 Ų | 122 | 116 Ų | 116 | 74% | 0.739 | 59% | 0.593 | S | S | * | * | trans | -63.9 | 96 | 168 | -179.3 | 0 | 0 | 0 | 0 | 106.1 | D98 K102 | D98-V100 VanDerWaalsContact C-N 3.34Å; D98-V100 PolarHBondContact O-N 3.32Å; V100-K102 PolarHBondContact O-N 3.28Å | ||
| 101 | E | 59.5 | Low | 64.3 | Low | 166 Ų | 166 | 109.7 Ų | 109.7 | 78% | 0.776 | 58% | 0.583 | S | S | * | * | trans | -57.4 | 101.4 | 178.7 | -70.4 | -176.5 | 169.8 | 0 | 0 | 108.2 | V99 F103 | V99-E101 PolarHBondContact O-N 2.99Å; E101-F103 PolarHBondContact O-N 3.25Å; E101-F103 VanDerWaalsContact O-N 3.13Å | ||
| 102 | K | 70.5 | Confident | 66.7 | Low | 145 Ų | 145 | 111.2 Ų | 111.2 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | trans | -71.9 | 110.1 | 175 | -70 | 179.7 | -176.8 | 174.3 | 0 | 106.7 | V100 Y104 | V100-K102 PolarHBondContact O-N 3.28Å; K102-Y104 HydrophobicContact CB-CD2 4.49Å; K102-Y104 HydrophobicContact CB-CE2 3.74Å; K102-Y104 WeakPolarHBondContact O-CD2 3.15Å; K102-Y104 WeakPolarHBondContact O-CE2 2.94Å; K102-Y104 PolarHBondContact O-N 3.11Å | ||
| 103 | F | 84.6 | Confident | 68.8 | Low | 61 Ų | 61 | 113.4 Ų | 113.4 | 27% | 0.268 | 57% | 0.573 | S | S | . | * | trans | -65.8 | 129 | 174.4 | 166.9 | -107.5 | 0 | 0 | 0 | 110.7 | E101 I105 G116 I121 E123 S126 | E101-F103 PolarHBondContact O-N 3.25Å; E101-F103 VanDerWaalsContact O-N 3.13Å; F103-I105 HydrophobicContact CE1-CB 4.36Å; F103-I105 HydrophobicContact CZ-CB 4.01Å; F103-G116 PolarHBondContact O-N 3.27Å; F103-I121 HydrophobicContact CE1-CG2 4.15Å; F103-I121 WeakPolarHBondContact CE1-O 3.35Å; F103-E123 HydrophobicContact CD1-CB 4.45Å; F103-E123 HydrophobicContact CD2-CB 4.05Å; F103-E123 HydrophobicContact CD2-CG 3.84Å; F103-E123 HydrophobicContact CE2-CB 4.35Å; F103-E123 HydrophobicContact CE2-CG 4.08Å; F103-E123 HydrophobicContact CG-CB 4.15Å; F103-E123 HydrophobicContact CG-CG 4.41Å; F103-S126 WeakPolarHBondContact CE2-OG 3.22Å; F103-S126 VanDerWaalsContact CZ-OG 3.27Å; F103-S126 WeakPolarHBondContact CZ-OG 3.21Å | ||
| 104 | Y | 84.8 | Confident | 71.2 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.1 | 174.3 | -64.8 | -98.8 | 0 | 0 | 0 | 110.9 | K102 F114 H115 | K102-Y104 HydrophobicContact CB-CD2 4.49Å; K102-Y104 HydrophobicContact CB-CE2 3.74Å; K102-Y104 WeakPolarHBondContact O-CD2 3.15Å; K102-Y104 WeakPolarHBondContact O-CE2 2.94Å; K102-Y104 PolarHBondContact O-N 3.11Å; Y104-F114 CarbonylContact C-O 3.05Å; Y104-F114 VanDerWaalsContact CA-O 3.22Å; Y104-F114 WeakPolarHBondContact CA-O 3.32Å; Y104-H115 AromaticContact CD1-CD2 3.77Å; Y104-H115 AromaticContact CE1-CD2 3.06Å; Y104-H115 WeakPolarHBondContact CE1-CD2 3.49Å; Y104-H115 AromaticContact CE1-CG 3.95Å; Y104-H115 AromaticContact CE1-NE2 3.12Å; Y104-H115 WeakPolarHBondContact CE1-NE2 3.15Å; Y104-H115 AromaticContact CZ-CD2 3.32Å; Y104-H115 AromaticContact CZ-NE2 3.29Å; Y104-H115 VanDerWaalsContact CZ-NE2 3.29Å; Y104-H115 PolarHBondContact OH-CD2 3.39Å; Y104-H115 PolarHBondContact OH-NE2 3.49Å |
| 105 | I | 84.8 | Confident | 73.2 | Confident | 16 Ų | 16 | 102.3 Ų | 102.3 | 8% | 0.082 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.2 | 171.6 | -171.4 | 166.6 | 0 | 0 | 0 | 110.2 | F103 F114 V119 I121 M129 W132 | F103-I105 HydrophobicContact CE1-CB 4.36Å; F103-I105 HydrophobicContact CZ-CB 4.01Å; I105-F114 HydrophobicContact CG2-CB 4.32Å; I105-F114 PolarHBondContact N-O 3.46Å; I105-F114 PolarHBondContact O-N 2.94Å; I105-V119 HydrophobicContact CG2-CG2 3.73Å; I105-I121 HydrophobicContact CD1-CD1 3.99Å; I105-I121 HydrophobicContact CD1-CG2 3.97Å; I105-M129 HydrophobicContact CD1-SD 3.49Å; I105-M129 WeakPolarHBondContact CD1-SD 3.44Å; I105-W132 HydrophobicContact CD1-CB 3.67Å; I105-W132 HydrophobicContact CD1-CD2 3.96Å; I105-W132 HydrophobicContact CD1-CE3 4.19Å; I105-W132 HydrophobicContact CD1-CG 3.73Å; I105-W132 HydrophobicContact CG1-CB 4.35Å; I105-W132 HydrophobicContact CG1-CD2 4.27Å; I105-W132 HydrophobicContact CG1-CE3 3.98Å; I105-W132 HydrophobicContact CG1-CG 4.44Å; I105-W132 HydrophobicContact CG2-CD2 4.36Å; I105-W132 HydrophobicContact CG2-CE3 4.02Å; I105-W132 HydrophobicContact CG2-CH2 4.3Å; I105-W132 HydrophobicContact CG2-CZ3 3.99Å |
| 106 | A | 86.8 | Confident | 75.2 | Confident | 38 Ų | 38 | 95.6 Ų | 95.6 | 31% | 0.314 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S108 R112 W113 | A106-S108 PolarHBondContact O-N 3.41Å; A106-R112 WeakPolarHBondContact CA-O 3.27Å; A106-W113 HydrophobicContact CB-CD2 4.06Å; A106-W113 HydrophobicContact CB-CE3 4.17Å; A106-W113 HydrophobicContact CB-CH2 4.47Å; A106-W113 HydrophobicContact CB-CZ2 4.33Å; A106-W113 HydrophobicContact CB-CZ3 4.38Å |
| 107 | C | 88.3 | Confident | 77.2 | Confident | 2 Ų | 2 | 97.7 Ų | 97.7 | 1% | 0.014 | 49% | 0.488 | C | S | . | . | trans | -71.5 | 126.7 | 170.1 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | L109 C110 S111 R112 F114 W132 C134 C137 | C107-L109 PolarHBondContact O-N 3.42Å; C107-L109 VanDerWaalsContact O-N 3.13Å; C107-C110 VanDerWaalsContact CB-SG 3.56Å; C107-S111 WeakPolarHBondContact O-CA 3.47Å; C107-S111 PolarHBondContact O-N 3.17Å; C107-R112 PolarHBondContact N-O 2.83Å; C107-F114 HydrophobicContact CB-CD2 4.48Å; C107-F114 HydrophobicContact CB-CE2 3.85Å; C107-W132 HydrophobicContact CB-CE3 4.15Å; C107-W132 HydrophobicContact CB-CZ3 3.84Å; C107-C134 HydrophobicContact CB-CB 4.01Å; C107-C134 PolarHBondContact SG-N 3.29Å; C107-C137 VanDerWaalsContact SG-SG 3.69Å | ||
| 108 | S | 88.5 | Confident | 79.4 | Confident | 67 Ų | 67 | 93 Ų | 93 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.2 | -177.3 | -43.1 | 0 | 0 | 0 | 0 | 114 | A106 W132 | A106-S108 PolarHBondContact O-N 3.41Å; S108-W132 WeakPolarHBondContact CB-O 3.36Å; S108-W132 PolarHBondContact N-O 3.15Å; S108-W132 PolarHBondContact OG-N 3.01Å; S108-W132 PolarHBondContact OG-O 3.44Å |
| 109 | L | 84.4 | Confident | 81.3 | Confident | 106 Ų | 106 | 87 Ų | 87 | 56% | 0.555 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -44 | -176.1 | -71.8 | 169.7 | 0 | 0 | 0 | 113.2 | C107 H133 C137 | C107-L109 PolarHBondContact O-N 3.42Å; C107-L109 VanDerWaalsContact O-N 3.13Å; L109-H133 HydrophobicContact CD1-CB 4.42Å; L109-H133 WeakPolarHBondContact CD1-CD2 3.48Å; L109-C137 HydrophobicContact CB-CB 4.01Å; L109-C137 HydrophobicContact CD1-CB 3.77Å |
| 110 | C | 89.3 | Confident | 83.4 | Confident | 46 Ų | 46 | 88.2 Ų | 88.2 | 31% | 0.311 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -2.5 | -177.9 | 69 | 0 | 0 | 0 | 0 | 113.9 | C107 R112 C137 | C107-C110 VanDerWaalsContact CB-SG 3.56Å; C110-R112 PolarHBondContact O-N 3.19Å; C110-C137 VanDerWaalsContact SG-SG 3.7Å |
| 111 | S | 85.5 | Confident | 84.7 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 62% | 0.615 | 42% | 0.418 | S | S | * | . | trans | 56.1 | 15.4 | -179.9 | -52.1 | 0 | 0 | 0 | 0 | 115 | C107 | C107-S111 WeakPolarHBondContact O-CA 3.47Å; C107-S111 PolarHBondContact O-N 3.17Å | ||
| 112 | R | 84.1 | Confident | 86 | Confident | 158 Ų | 158 | 78.5 Ų | 78.5 | 60% | 0.596 | 40% | 0.402 | S | S | * | . | trans | -74.6 | 142.3 | 171.9 | -67.7 | -177.9 | -179.6 | 168.9 | 0.1 | 109.5 | A106 C107 C110 F114 | A106-R112 WeakPolarHBondContact CA-O 3.27Å; C107-R112 PolarHBondContact N-O 2.83Å; C110-R112 PolarHBondContact O-N 3.19Å; R112-F114 HydrophobicContact CB-CD2 4.43Å; R112-F114 HydrophobicContact CB-CE2 3.55Å; R112-F114 HydrophobicContact CB-CZ 3.86Å; R112-F114 VanDerWaalsContact O-CD2 3.22Å; R112-F114 WeakPolarHBondContact O-CD2 3.22Å; R112-F114 WeakPolarHBondContact O-CE2 3.47Å | ||
| 113 | W | 90.5 | Very high | 86.7 | Confident | 183 Ų | 183 | 76.3 Ų | 76.3 | 69% | 0.693 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 138.8 | 177.4 | -65.8 | 78.9 | 0 | 0 | 0 | 110 | A106 | A106-W113 HydrophobicContact CB-CD2 4.06Å; A106-W113 HydrophobicContact CB-CE3 4.17Å; A106-W113 HydrophobicContact CB-CH2 4.47Å; A106-W113 HydrophobicContact CB-CZ2 4.33Å; A106-W113 HydrophobicContact CB-CZ3 4.38Å |
| 114 | F | 88.9 | Confident | 86.7 | Confident | 50 Ų | 50 | 77 Ų | 77 | 22% | 0.219 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.2 | -177.5 | -62.6 | -98 | 0 | 0 | 0 | 108.8 | Y104 I105 C107 R112 G116 V119 W132 C134 | Y104-F114 CarbonylContact C-O 3.05Å; Y104-F114 VanDerWaalsContact CA-O 3.22Å; Y104-F114 WeakPolarHBondContact CA-O 3.32Å; I105-F114 HydrophobicContact CG2-CB 4.32Å; I105-F114 PolarHBondContact N-O 3.46Å; I105-F114 PolarHBondContact O-N 2.94Å; C107-F114 HydrophobicContact CB-CD2 4.48Å; C107-F114 HydrophobicContact CB-CE2 3.85Å; R112-F114 HydrophobicContact CB-CD2 4.43Å; R112-F114 HydrophobicContact CB-CE2 3.55Å; R112-F114 HydrophobicContact CB-CZ 3.86Å; R112-F114 VanDerWaalsContact O-CD2 3.22Å; R112-F114 WeakPolarHBondContact O-CD2 3.22Å; R112-F114 WeakPolarHBondContact O-CE2 3.47Å; F114-G116 PolarHBondContact O-N 3.07Å; F114-V119 HydrophobicContact CB-CG1 3.65Å; F114-V119 HydrophobicContact CB-CG2 4.23Å; F114-V119 HydrophobicContact CD1-CG1 3.84Å; F114-V119 HydrophobicContact CG-CG1 3.98Å; F114-W132 HydrophobicContact CB-CH2 4.06Å; F114-W132 HydrophobicContact CB-CZ3 4.36Å; F114-W132 HydrophobicContact CD1-CH2 4.32Å; F114-W132 AromaticContact CD2-CH2 3.55Å; F114-W132 HydrophobicContact CD2-CH2 3.55Å; F114-W132 AromaticContact CD2-CZ3 3.42Å; F114-W132 HydrophobicContact CD2-CZ3 3.42Å; F114-W132 VanDerWaalsContact CD2-CZ3 3.42Å; F114-W132 HydrophobicContact CE2-CH2 4.04Å; F114-W132 AromaticContact CE2-CZ3 3.9Å; F114-W132 HydrophobicContact CE2-CZ3 3.9Å; F114-W132 AromaticContact CG-CH2 3.71Å; F114-W132 HydrophobicContact CG-CH2 3.71Å; F114-W132 HydrophobicContact CG-CZ3 4.02Å; F114-C134 HydrophobicContact CD2-CB 4.31Å; F114-C134 HydrophobicContact CE1-CB 3.91Å; F114-C134 HydrophobicContact CE2-CB 3.49Å; F114-C134 VanDerWaalsContact CE2-CB 3.49Å; F114-C134 HydrophobicContact CZ-CB 3.25Å |
| 115 | H | 86.6 | Confident | 86.7 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 127.8 | 168.4 | -60 | 111.7 | 0 | 0 | 0 | 108.3 | Y104 I117 C118 V119 | Y104-H115 AromaticContact CD1-CD2 3.77Å; Y104-H115 AromaticContact CE1-CD2 3.06Å; Y104-H115 WeakPolarHBondContact CE1-CD2 3.49Å; Y104-H115 AromaticContact CE1-CG 3.95Å; Y104-H115 AromaticContact CE1-NE2 3.12Å; Y104-H115 WeakPolarHBondContact CE1-NE2 3.15Å; Y104-H115 AromaticContact CZ-CD2 3.32Å; Y104-H115 AromaticContact CZ-NE2 3.29Å; Y104-H115 VanDerWaalsContact CZ-NE2 3.29Å; Y104-H115 PolarHBondContact OH-CD2 3.39Å; Y104-H115 PolarHBondContact OH-NE2 3.49Å; H115-I117 PolarHBondContact O-N 2.95Å; H115-C118 HydrophobicContact CB-CB 3.92Å; H115-C118 WeakPolarHBondContact O-CB 3.06Å; H115-C118 PolarHBondContact O-N 3.36Å; H115-V119 PolarHBondContact O-N 3.43Å |
| 116 | G | 84.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -54.5 | -40.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F103 F114 C118 V119 D120 I121 | F103-G116 PolarHBondContact O-N 3.27Å; F114-G116 PolarHBondContact O-N 3.07Å; G116-C118 VanDerWaalsContact C-N 3.31Å; G116-C118 PolarHBondContact O-N 2.9Å; G116-V119 CarbonylContact O-C 3.53Å; G116-V119 PolarHBondContact O-N 2.86Å; G116-V119 VanDerWaalsContact O-N 3.17Å; G116-D120 PolarHBondContact O-N 3.32Å; G116-I121 CarbonylContact C-O 3.13Å; G116-I121 WeakPolarHBondContact CA-O 3.21Å; G116-I121 PolarHBondContact O-N 3.31Å |
| 117 | I | 86.1 | Confident | 86.5 | Confident | 155 Ų | 155 | 82.3 Ų | 82.3 | 80% | 0.795 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -62.3 | -35.4 | 176 | -58.1 | 170.3 | 0 | 0 | 0 | 112.2 | H115 V119 | H115-I117 PolarHBondContact O-N 2.95Å; I117-V119 VanDerWaalsContact C-N 3.27Å; I117-V119 PolarHBondContact O-N 2.87Å |
| 118 | C | 87.2 | Confident | 86.2 | Confident | 95 Ų | 95 | 90.1 Ų | 90.1 | 64% | 0.642 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -76.8 | -14 | -179.9 | -66 | 0 | 0 | 0 | 0 | 113.3 | H115 G116 | H115-C118 HydrophobicContact CB-CB 3.92Å; H115-C118 WeakPolarHBondContact O-CB 3.06Å; H115-C118 PolarHBondContact O-N 3.36Å; G116-C118 VanDerWaalsContact C-N 3.31Å; G116-C118 PolarHBondContact O-N 2.9Å |
| 119 | V | 88.7 | Confident | 85.7 | Confident | 36 Ų | 36 | 89.8 Ų | 89.8 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -119.2 | 16.6 | 178.4 | -61 | 0 | 0 | 0 | 0 | 112.5 | I105 F114 H115 G116 I117 I121 W132 | I105-V119 HydrophobicContact CG2-CG2 3.73Å; F114-V119 HydrophobicContact CB-CG1 3.65Å; F114-V119 HydrophobicContact CB-CG2 4.23Å; F114-V119 HydrophobicContact CD1-CG1 3.84Å; F114-V119 HydrophobicContact CG-CG1 3.98Å; H115-V119 PolarHBondContact O-N 3.43Å; G116-V119 CarbonylContact O-C 3.53Å; G116-V119 PolarHBondContact O-N 2.86Å; G116-V119 VanDerWaalsContact O-N 3.17Å; I117-V119 VanDerWaalsContact C-N 3.27Å; I117-V119 PolarHBondContact O-N 2.87Å; V119-I121 VanDerWaalsContact C-N 3.27Å; V119-I121 HydrophobicContact CG2-CB 4.18Å; V119-I121 HydrophobicContact CG2-CD1 4.17Å; V119-I121 HydrophobicContact CG2-CG1 4.27Å; V119-I121 PolarHBondContact O-N 3.33Å; V119-W132 HydrophobicContact CB-CH2 4.19Å; V119-W132 HydrophobicContact CB-CZ2 3.77Å; V119-W132 HydrophobicContact CG1-CH2 3.92Å; V119-W132 HydrophobicContact CG1-CZ2 3.95Å; V119-W132 HydrophobicContact CG2-CH2 4.12Å; V119-W132 HydrophobicContact CG2-CZ2 3.84Å |
| 120 | D | 89.4 | Confident | 85.5 | Confident | 144 Ų | 144 | 93.2 Ų | 93.2 | 77% | 0.77 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.4 | 179.9 | -57.5 | -51.4 | 0 | 0 | 0 | 113.9 | G116 Q125 | G116-D120 PolarHBondContact O-N 3.32Å; D120-Q125 PolarHBondContact O-OE1 3.23Å |
| 121 | I | 85.9 | Confident | 85.2 | Confident | 15 Ų | 15 | 94 Ų | 94 | 8% | 0.077 | 48% | 0.48 | C | S | . | . | trans | -120.5 | 120.3 | 177.2 | -66.9 | 174.1 | 0 | 0 | 0 | 110.9 | F103 I105 G116 V119 Q125 M129 W132 | F103-I121 HydrophobicContact CE1-CG2 4.15Å; F103-I121 WeakPolarHBondContact CE1-O 3.35Å; I105-I121 HydrophobicContact CD1-CD1 3.99Å; I105-I121 HydrophobicContact CD1-CG2 3.97Å; G116-I121 CarbonylContact C-O 3.13Å; G116-I121 WeakPolarHBondContact CA-O 3.21Å; G116-I121 PolarHBondContact O-N 3.31Å; V119-I121 VanDerWaalsContact C-N 3.27Å; V119-I121 HydrophobicContact CG2-CB 4.18Å; V119-I121 HydrophobicContact CG2-CD1 4.17Å; V119-I121 HydrophobicContact CG2-CG1 4.27Å; V119-I121 PolarHBondContact O-N 3.33Å; I121-Q125 HydrophobicContact CG2-CB 4.24Å; I121-M129 HydrophobicContact CD1-CE 3.9Å; I121-M129 HydrophobicContact CD1-SD 4.14Å; I121-M129 HydrophobicContact CG1-CE 4.18Å; I121-M129 HydrophobicContact CG2-CE 3.75Å; I121-M129 HydrophobicContact CG2-SD 4.37Å; I121-W132 HydrophobicContact CD1-CD2 3.99Å; I121-W132 HydrophobicContact CD1-CG 3.8Å; I121-W132 HydrophobicContact CD1-CZ2 4.24Å | ||
| 122 | T | 86.2 | Confident | 85.3 | Confident | 69 Ų | 69 | 91.8 Ų | 91.8 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | trans | -82.8 | 159.1 | 170.9 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | S124 Q125 S126 | T122-S124 PolarHBondContact O-N 3.32Å; T122-S124 PolarHBondContact OG1-OG 3.11Å; T122-Q125 PolarHBondContact O-N 2.96Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 VanDerWaalsContact OG1-CG 3.32Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.13Å; T122-Q125 PolarHBondContact OG1-OE1 2.76Å; T122-S126 PolarHBondContact O-N 2.89Å | ||
| 123 | E | 85.2 | Confident | 85.5 | Confident | 100 Ų | 100 | 86 Ų | 86 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.2 | -32.1 | 174.8 | -164.2 | -162.4 | 146.6 | 0 | 0 | 112.5 | F103 S126 K127 | F103-E123 HydrophobicContact CD1-CB 4.45Å; F103-E123 HydrophobicContact CD2-CB 4.05Å; F103-E123 HydrophobicContact CD2-CG 3.84Å; F103-E123 HydrophobicContact CE2-CB 4.35Å; F103-E123 HydrophobicContact CE2-CG 4.08Å; F103-E123 HydrophobicContact CG-CB 4.15Å; F103-E123 HydrophobicContact CG-CG 4.41Å; E123-S126 PolarHBondContact O-N 2.83Å; E123-S126 PolarHBondContact O-OG 3.18Å; E123-K127 WeakPolarHBondContact O-CG 3.19Å; E123-K127 PolarHBondContact O-N 3.5Å; E123-K127 VanDerWaalsContact OE1-CE 3.24Å; E123-K127 WeakPolarHBondContact OE1-CE 3.48Å; E123-K127 IonicContact OE1-NZ 2.7Å; E123-K127 PolarHBondContact OE1-NZ 3Å |
| 124 | S | 85.2 | Confident | 85.5 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 174.8 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | T122 | T122-S124 PolarHBondContact O-N 3.32Å; T122-S124 PolarHBondContact OG1-OG 3.11Å |
| 125 | Q | 85.7 | Confident | 85.6 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 39% | 0.388 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.5 | -39 | 176 | -71.9 | 169.4 | -29 | 0 | 0 | 111.5 | D120 I121 T122 K127 Q128 M129 | D120-Q125 PolarHBondContact O-OE1 3.23Å; I121-Q125 HydrophobicContact CG2-CB 4.24Å; T122-Q125 PolarHBondContact O-N 2.96Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 VanDerWaalsContact OG1-CG 3.32Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.13Å; T122-Q125 PolarHBondContact OG1-OE1 2.76Å; Q125-K127 PolarHBondContact O-N 3.05Å; Q125-Q128 PolarHBondContact O-N 2.84Å; Q125-M129 HydrophobicContact CB-CE 3.93Å; Q125-M129 WeakPolarHBondContact O-CE 3.38Å; Q125-M129 WeakPolarHBondContact O-CG 3.12Å; Q125-M129 PolarHBondContact O-N 2.91Å |
| 126 | S | 84.3 | Confident | 85.7 | Confident | 26 Ų | 26 | 84.9 Ų | 84.9 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.6 | -34.6 | -179.5 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | F103 T122 E123 Q128 M129 | F103-S126 WeakPolarHBondContact CE2-OG 3.22Å; F103-S126 VanDerWaalsContact CZ-OG 3.27Å; F103-S126 WeakPolarHBondContact CZ-OG 3.21Å; T122-S126 PolarHBondContact O-N 2.89Å; E123-S126 PolarHBondContact O-N 2.83Å; E123-S126 PolarHBondContact O-OG 3.18Å; S126-Q128 VanDerWaalsContact C-N 3.27Å; S126-Q128 PolarHBondContact O-N 3.1Å; S126-M129 WeakPolarHBondContact O-CG 3.39Å; S126-M129 PolarHBondContact O-N 3.32Å |
| 127 | K | 81.6 | Confident | 85.9 | Confident | 155 Ų | 155 | 85.9 Ų | 85.9 | 67% | 0.674 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -24.3 | 173.8 | -69.8 | 172.2 | -174.4 | 169.5 | 0 | 113.7 | E123 Q125 | E123-K127 WeakPolarHBondContact O-CG 3.19Å; E123-K127 PolarHBondContact O-N 3.5Å; E123-K127 VanDerWaalsContact OE1-CE 3.24Å; E123-K127 WeakPolarHBondContact OE1-CE 3.48Å; E123-K127 IonicContact OE1-NZ 2.7Å; E123-K127 PolarHBondContact OE1-NZ 3Å; Q125-K127 PolarHBondContact O-N 3.05Å |
| 128 | Q | 81.9 | Confident | 85.9 | Confident | 166 Ų | 166 | 83.1 Ų | 83.1 | 78% | 0.776 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -12.7 | -179.8 | -66 | 179.3 | -7.6 | 0 | 0 | 113.3 | Q125 S126 | Q125-Q128 PolarHBondContact O-N 2.84Å; S126-Q128 VanDerWaalsContact C-N 3.27Å; S126-Q128 PolarHBondContact O-N 3.1Å |
| 129 | M | 77.6 | Confident | 85.8 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 30% | 0.296 | 42% | 0.419 | S | S | . | . | trans | -99.8 | 127.6 | -178.4 | 56.5 | -176.2 | 73 | 0 | 0 | 112 | I105 I121 Q125 S126 W132 | I105-M129 HydrophobicContact CD1-SD 3.49Å; I105-M129 WeakPolarHBondContact CD1-SD 3.44Å; I121-M129 HydrophobicContact CD1-CE 3.9Å; I121-M129 HydrophobicContact CD1-SD 4.14Å; I121-M129 HydrophobicContact CG1-CE 4.18Å; I121-M129 HydrophobicContact CG2-CE 3.75Å; I121-M129 HydrophobicContact CG2-SD 4.37Å; Q125-M129 HydrophobicContact CB-CE 3.93Å; Q125-M129 WeakPolarHBondContact O-CE 3.38Å; Q125-M129 WeakPolarHBondContact O-CG 3.12Å; Q125-M129 PolarHBondContact O-N 2.91Å; S126-M129 WeakPolarHBondContact O-CG 3.39Å; S126-M129 PolarHBondContact O-N 3.32Å; M129-W132 HydrophobicContact SD-CB 3.64Å; M129-W132 HydrophobicContact SD-CG 4.03Å | ||
| 130 | I | 81.6 | Confident | 85.3 | Confident | 178 Ų | 178 | 86.4 Ų | 86.4 | 91% | 0.913 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -74.5 | -34.2 | 177.2 | -60.3 | 171.1 | 0 | 0 | 0 | 111.2 | ||
| 131 | S | 82.4 | Confident | 84.7 | Confident | 64 Ų | 64 | 86.3 Ų | 86.3 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | trans | -149.6 | 126.5 | -178.9 | 62.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 132 | W | 88.6 | Confident | 84 | Confident | 40 Ų | 40 | 90.2 Ų | 90.2 | 15% | 0.152 | 44% | 0.435 | C | S | . | . | trans | -111.6 | 147.2 | 171 | -178.8 | 74 | 0 | 0 | 0 | 111.2 | I105 C107 S108 F114 V119 I121 M129 C134 | I105-W132 HydrophobicContact CD1-CB 3.67Å; I105-W132 HydrophobicContact CD1-CD2 3.96Å; I105-W132 HydrophobicContact CD1-CE3 4.19Å; I105-W132 HydrophobicContact CD1-CG 3.73Å; I105-W132 HydrophobicContact CG1-CB 4.35Å; I105-W132 HydrophobicContact CG1-CD2 4.27Å; I105-W132 HydrophobicContact CG1-CE3 3.98Å; I105-W132 HydrophobicContact CG1-CG 4.44Å; I105-W132 HydrophobicContact CG2-CD2 4.36Å; I105-W132 HydrophobicContact CG2-CE3 4.02Å; I105-W132 HydrophobicContact CG2-CH2 4.3Å; I105-W132 HydrophobicContact CG2-CZ3 3.99Å; C107-W132 HydrophobicContact CB-CE3 4.15Å; C107-W132 HydrophobicContact CB-CZ3 3.84Å; S108-W132 WeakPolarHBondContact CB-O 3.36Å; S108-W132 PolarHBondContact N-O 3.15Å; S108-W132 PolarHBondContact OG-N 3.01Å; S108-W132 PolarHBondContact OG-O 3.44Å; F114-W132 HydrophobicContact CB-CH2 4.06Å; F114-W132 HydrophobicContact CB-CZ3 4.36Å; F114-W132 HydrophobicContact CD1-CH2 4.32Å; F114-W132 AromaticContact CD2-CH2 3.55Å; F114-W132 HydrophobicContact CD2-CH2 3.55Å; F114-W132 AromaticContact CD2-CZ3 3.42Å; F114-W132 HydrophobicContact CD2-CZ3 3.42Å; F114-W132 VanDerWaalsContact CD2-CZ3 3.42Å; F114-W132 HydrophobicContact CE2-CH2 4.04Å; F114-W132 AromaticContact CE2-CZ3 3.9Å; F114-W132 HydrophobicContact CE2-CZ3 3.9Å; F114-W132 AromaticContact CG-CH2 3.71Å; F114-W132 HydrophobicContact CG-CH2 3.71Å; F114-W132 HydrophobicContact CG-CZ3 4.02Å; V119-W132 HydrophobicContact CB-CH2 4.19Å; V119-W132 HydrophobicContact CB-CZ2 3.77Å; V119-W132 HydrophobicContact CG1-CH2 3.92Å; V119-W132 HydrophobicContact CG1-CZ2 3.95Å; V119-W132 HydrophobicContact CG2-CH2 4.12Å; V119-W132 HydrophobicContact CG2-CZ2 3.84Å; I121-W132 HydrophobicContact CD1-CD2 3.99Å; I121-W132 HydrophobicContact CD1-CG 3.8Å; I121-W132 HydrophobicContact CD1-CZ2 4.24Å; M129-W132 HydrophobicContact SD-CB 3.64Å; M129-W132 HydrophobicContact SD-CG 4.03Å; W132-C134 HydrophobicContact CH2-CB 3.7Å; W132-C134 HydrophobicContact CZ2-CB 4.36Å; W132-C134 HydrophobicContact CZ3-CB 4.06Å | ||
| 133 | H | 88.5 | Confident | 83 | Confident | 37 Ų | 37 | 94.7 Ų | 94.7 | 17% | 0.171 | 44% | 0.444 | C | S | . | . | trans | -128.3 | 132.4 | -179.6 | -47.3 | 101.2 | 0 | 0 | 0 | 108.2 | L109 C137 | L109-H133 HydrophobicContact CD1-CB 4.42Å; L109-H133 WeakPolarHBondContact CD1-CD2 3.48Å; H133-C137 HydrophobicContact CB-CB 4.38Å | ||
| 134 | C | 89.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 93.4 Ų | 93.4 | 1% | 0.014 | 44% | 0.443 | C | S | . | . | trans | -65.5 | 160.9 | 173.8 | 71.7 | 0 | 0 | 0 | 0 | 111 | C107 F114 W132 D136 C137 Q138 | C107-C134 HydrophobicContact CB-CB 4.01Å; C107-C134 PolarHBondContact SG-N 3.29Å; F114-C134 HydrophobicContact CD2-CB 4.31Å; F114-C134 HydrophobicContact CE1-CB 3.91Å; F114-C134 HydrophobicContact CE2-CB 3.49Å; F114-C134 VanDerWaalsContact CE2-CB 3.49Å; F114-C134 HydrophobicContact CZ-CB 3.25Å; W132-C134 HydrophobicContact CH2-CB 3.7Å; W132-C134 HydrophobicContact CZ2-CB 4.36Å; W132-C134 HydrophobicContact CZ3-CB 4.06Å; C134-D136 PolarHBondContact O-N 2.83Å; C134-D136 VanDerWaalsContact O-N 3.1Å; C134-C137 PolarHBondContact O-N 3Å; C134-Q138 PolarHBondContact O-N 3.42Å | ||
| 135 | R | 89.8 | Confident | 80.8 | Confident | 186 Ų | 186 | 94.6 Ų | 94.6 | 70% | 0.702 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -51.3 | -37.4 | -178.8 | -166.2 | 177.2 | -173.4 | -161.3 | 3.6 | 113.3 | K139 | R135-K139 WeakPolarHBondContact O-CG 3.32Å; R135-K139 PolarHBondContact O-N 2.98Å |
| 136 | D | 89.4 | Confident | 79.6 | Confident | 95 Ų | 95 | 95.6 Ų | 95.6 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.5 | -47.5 | 179 | -57.5 | -31.9 | 0 | 0 | 0 | 111.7 | C134 Q138 K139 E140 | C134-D136 PolarHBondContact O-N 2.83Å; C134-D136 VanDerWaalsContact O-N 3.1Å; D136-Q138 VanDerWaalsContact C-N 3.28Å; D136-Q138 PolarHBondContact O-N 3.17Å; D136-K139 PolarHBondContact O-N 3.46Å; D136-E140 PolarHBondContact O-N 3.4Å |
| 137 | C | 88.3 | Confident | 78.6 | Confident | 21 Ų | 21 | 101.3 Ų | 101.3 | 14% | 0.142 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66.6 | -32.3 | 177.1 | -69 | 0 | 0 | 0 | 0 | 112.2 | C107 L109 C110 H133 C134 R141 | C107-C137 VanDerWaalsContact SG-SG 3.69Å; L109-C137 HydrophobicContact CB-CB 4.01Å; L109-C137 HydrophobicContact CD1-CB 3.77Å; C110-C137 VanDerWaalsContact SG-SG 3.7Å; H133-C137 HydrophobicContact CB-CB 4.38Å; C134-C137 PolarHBondContact O-N 3Å; C137-R141 WeakPolarHBondContact O-CB 3.11Å; C137-R141 PolarHBondContact O-N 3.28Å |
| 138 | Q | 86.5 | Confident | 78.4 | Confident | 97 Ų | 97 | 97.4 Ų | 97.4 | 45% | 0.453 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -46.2 | 174.1 | -171.7 | 178.8 | -39.1 | 0 | 0 | 111.3 | C134 D136 E140 R141 E142 | C134-Q138 PolarHBondContact O-N 3.42Å; D136-Q138 VanDerWaalsContact C-N 3.28Å; D136-Q138 PolarHBondContact O-N 3.17Å; Q138-E140 VanDerWaalsContact C-N 3.34Å; Q138-E140 PolarHBondContact O-N 3.07Å; Q138-R141 CarbonylContact O-C 3.5Å; Q138-R141 WeakPolarHBondContact O-CB 3.28Å; Q138-R141 PolarHBondContact O-N 3.38Å; Q138-R141 VanDerWaalsContact O-N 3.15Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.35Å; Q138-E142 PolarHBondContact NE2-OE1 2.94Å; Q138-E142 WeakPolarHBondContact O-CG 3.41Å; Q138-E142 PolarHBondContact O-N 3.14Å |
| 139 | K | 84.6 | Confident | 78.3 | Confident | 112 Ų | 112 | 91.1 Ų | 91.1 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 174.8 | -78 | 178.3 | 178.2 | -176.8 | 0 | 112.6 | R135 D136 R141 E142 R143 | R135-K139 WeakPolarHBondContact O-CG 3.32Å; R135-K139 PolarHBondContact O-N 2.98Å; D136-K139 PolarHBondContact O-N 3.46Å; K139-R141 VanDerWaalsContact C-N 3.28Å; K139-R141 PolarHBondContact O-N 3.34Å; K139-E142 PolarHBondContact O-N 3.46Å; K139-R143 WeakPolarHBondContact O-CB 3.46Å; K139-R143 PolarHBondContact O-N 2.93Å |
| 140 | E | 79.3 | Confident | 78.7 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 177 | -168.4 | 59.7 | -147.8 | 0 | 0 | 111.2 | D136 Q138 R143 T144 | D136-E140 PolarHBondContact O-N 3.4Å; Q138-E140 VanDerWaalsContact C-N 3.34Å; Q138-E140 PolarHBondContact O-N 3.07Å; E140-R143 PolarHBondContact O-N 3Å; E140-T144 WeakPolarHBondContact O-CG2 3.41Å; E140-T144 PolarHBondContact O-N 2.99Å; E140-T144 PolarHBondContact O-OG1 3.11Å |
| 141 | R | 76.6 | Confident | 78.8 | Confident | 143 Ų | 143 | 84.7 Ų | 84.7 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 173.3 | -167.2 | 176.3 | 177.2 | -145.4 | -2.6 | 111.8 | C137 Q138 K139 R143 T144 V145 | C137-R141 WeakPolarHBondContact O-CB 3.11Å; C137-R141 PolarHBondContact O-N 3.28Å; Q138-R141 CarbonylContact O-C 3.5Å; Q138-R141 WeakPolarHBondContact O-CB 3.28Å; Q138-R141 PolarHBondContact O-N 3.38Å; Q138-R141 VanDerWaalsContact O-N 3.15Å; K139-R141 VanDerWaalsContact C-N 3.28Å; K139-R141 PolarHBondContact O-N 3.34Å; R141-R143 VanDerWaalsContact C-N 3.28Å; R141-R143 PolarHBondContact O-N 2.8Å; R141-T144 WeakPolarHBondContact CA-OG1 2.87Å; R141-T144 PolarHBondContact O-N 3.4Å; R141-T144 PolarHBondContact O-OG1 2.96Å; R141-V145 HydrophobicContact CG-CG2 4.05Å; R141-V145 VanDerWaalsContact O-CB 3.28Å; R141-V145 WeakPolarHBondContact O-CB 3.46Å; R141-V145 WeakPolarHBondContact O-CG2 3.19Å; R141-V145 PolarHBondContact O-N 3.34Å |
| 142 | E | 70.4 | Confident | 79.1 | Confident | 96 Ų | 96 | 84.3 Ų | 84.3 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.4 | -73.1 | 165.4 | -169.6 | 0 | 0 | 111.3 | Q138 K139 T144 V145 Q146 | Q138-E142 WeakPolarHBondContact CG-OE1 3.35Å; Q138-E142 PolarHBondContact NE2-OE1 2.94Å; Q138-E142 WeakPolarHBondContact O-CG 3.41Å; Q138-E142 PolarHBondContact O-N 3.14Å; K139-E142 PolarHBondContact O-N 3.46Å; E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 2.92Å; E142-V145 PolarHBondContact O-N 3.39Å; E142-Q146 WeakPolarHBondContact O-CG 3.4Å; E142-Q146 PolarHBondContact O-N 3.19Å |
| 143 | R | 65.6 | Low | 78.7 | Confident | 164 Ų | 164 | 90.4 Ų | 90.4 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.3 | -36.5 | 175.4 | -169.2 | -179.1 | -177.5 | -139.7 | 0.8 | 113.1 | K139 E140 R141 | K139-R143 WeakPolarHBondContact O-CB 3.46Å; K139-R143 PolarHBondContact O-N 2.93Å; E140-R143 PolarHBondContact O-N 3Å; R141-R143 VanDerWaalsContact C-N 3.28Å; R141-R143 PolarHBondContact O-N 2.8Å |
| 144 | T | 61.2 | Low | 78.3 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 44% | 0.442 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -82.1 | -23.8 | 177.3 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | E140 R141 E142 | E140-T144 WeakPolarHBondContact O-CG2 3.41Å; E140-T144 PolarHBondContact O-N 2.99Å; E140-T144 PolarHBondContact O-OG1 3.11Å; R141-T144 WeakPolarHBondContact CA-OG1 2.87Å; R141-T144 PolarHBondContact O-N 3.4Å; R141-T144 PolarHBondContact O-OG1 2.96Å; E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 2.92Å |
| 145 | V | 62.9 | Low | 77.8 | Confident | 101 Ų | 101 | 93.8 Ų | 93.8 | 61% | 0.612 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -82 | -24.2 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | R141 E142 E147 | R141-V145 HydrophobicContact CG-CG2 4.05Å; R141-V145 VanDerWaalsContact O-CB 3.28Å; R141-V145 WeakPolarHBondContact O-CB 3.46Å; R141-V145 WeakPolarHBondContact O-CG2 3.19Å; R141-V145 PolarHBondContact O-N 3.34Å; E142-V145 PolarHBondContact O-N 3.39Å; V145-E147 PolarHBondContact O-N 3.07Å; V145-E147 VanDerWaalsContact O-N 3.11Å |
| 146 | Q | 60.3 | Low | 77.4 | Confident | 104 Ų | 104 | 88.2 Ų | 88.2 | 49% | 0.486 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -55.7 | 120 | 167.3 | -78.9 | 176.7 | 5 | 0 | 0 | 109 | E142 L148 P155 | E142-Q146 WeakPolarHBondContact O-CG 3.4Å; E142-Q146 PolarHBondContact O-N 3.19Å; Q146-L148 PolarHBondContact O-N 2.9Å; Q146-P155 HydrophobicContact CB-CB 4.43Å |
| 147 | E | 64.4 | Low | 77.1 | Confident | 147 Ų | 147 | 86.3 Ų | 86.3 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | trans | -56.9 | 110.1 | 177.1 | -71.8 | 176.7 | 167.6 | 0 | 0 | 108.5 | V145 H149 | V145-E147 PolarHBondContact O-N 3.07Å; V145-E147 VanDerWaalsContact O-N 3.11Å; E147-H149 PolarHBondContact O-CE1 3.39Å; E147-H149 PolarHBondContact O-ND1 2.89Å | ||
| 148 | L | 77 | Confident | 76.8 | Confident | 73 Ų | 73 | 91.3 Ų | 91.3 | 38% | 0.382 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.8 | 178.5 | -61.3 | -179.5 | 0 | 0 | 0 | 108.4 | Q146 R153 | Q146-L148 PolarHBondContact O-N 2.9Å; L148-R153 HydrophobicContact CB-CB 4.49Å; L148-R153 HydrophobicContact CD1-CB 4.22Å |
| 149 | H | 78.8 | Confident | 76.6 | Confident | 33 Ų | 33 | 91 Ų | 91 | 15% | 0.153 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 166 | -179.9 | -57.3 | 88.9 | 0 | 0 | 0 | 110 | E147 R153 T154 Y162 W171 | E147-H149 PolarHBondContact O-CE1 3.39Å; E147-H149 PolarHBondContact O-ND1 2.89Å; H149-R153 PolarHBondContact O-N 2.62Å; H149-T154 PolarHBondContact N-O 3.01Å; H149-T154 PolarHBondContact O-N 3.47Å; H149-Y162 HydrophobicContact CB-CE1 4.17Å; H149-W171 HydrophobicContact CB-CB 4.31Å; H149-W171 AromaticContact CD2-CD1 3.95Å |
| 150 | C | 86.8 | Confident | 76.7 | Confident | 9 Ų | 9 | 90.2 Ų | 90.2 | 6% | 0.061 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 171.5 | 175.2 | -166.2 | 0 | 0 | 0 | 0 | 115 | C152 R153 W171 H173 C176 | C150-C152 PolarHBondContact O-N 3.43Å; C150-R153 PolarHBondContact O-N 3.25Å; C150-W171 WeakPolarHBondContact CA-O 3.27Å; C150-W171 PolarHBondContact N-O 2.81Å; C150-H173 VanDerWaalsContact CB-ND1 3.27Å; C150-H173 WeakPolarHBondContact CB-ND1 3.18Å; C150-H173 PolarHBondContact SG-N 3.45Å; C150-H173 PolarHBondContact SG-ND1 3.01Å; C150-C176 WeakPolarHBondContact SG-CB 3.31Å; C150-C176 VanDerWaalsContact SG-SG 3.67Å |
| 151 | I | 84.6 | Confident | 77.1 | Confident | 94 Ų | 94 | 87.1 Ų | 87.1 | 48% | 0.482 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24 | 172.1 | 56.7 | 172.5 | 0 | 0 | 0 | 112.6 | R153 F172 C176 I194 | I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 3.15Å; I151-F172 HydrophobicContact CG2-CD1 4.02Å; I151-F172 HydrophobicContact CG2-CE1 3.82Å; I151-C176 HydrophobicContact CD1-CB 4.19Å; I151-C176 HydrophobicContact CG1-CB 4.01Å; I151-I194 HydrophobicContact CG2-CD1 4.36Å |
| 152 | C | 86.8 | Confident | 77.8 | Confident | 56 Ų | 56 | 81 Ų | 81 | 38% | 0.378 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.7 | 179.6 | 64.9 | 0 | 0 | 0 | 0 | 113.8 | C150 T154 H173 | C150-C152 PolarHBondContact O-N 3.43Å; C152-T154 HydrophobicContact CB-CG2 4.47Å; C152-T154 PolarHBondContact O-N 3.17Å; C152-T154 PolarHBondContact SG-OG1 3.07Å; C152-H173 PolarHBondContact SG-CE1 3.03Å; C152-H173 PolarHBondContact SG-ND1 3.23Å |
| 153 | R | 81.7 | Confident | 78.7 | Confident | 169 Ų | 169 | 76.9 Ų | 76.9 | 64% | 0.638 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 51 | 177.3 | -59.1 | -63 | -169.5 | 173.8 | 0.9 | 112.9 | L148 H149 C150 I151 | L148-R153 HydrophobicContact CB-CB 4.49Å; L148-R153 HydrophobicContact CD1-CB 4.22Å; H149-R153 PolarHBondContact O-N 2.62Å; C150-R153 PolarHBondContact O-N 3.25Å; I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 3.15Å |
| 154 | T | 79.2 | Confident | 79.8 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 32% | 0.319 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 151.1 | 176.7 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | H149 C152 H173 | H149-T154 PolarHBondContact N-O 3.01Å; H149-T154 PolarHBondContact O-N 3.47Å; C152-T154 HydrophobicContact CB-CG2 4.47Å; C152-T154 PolarHBondContact O-N 3.17Å; C152-T154 PolarHBondContact SG-OG1 3.07Å; T154-H173 PolarHBondContact OG1-CE1 3.08Å |
| 155 | P | 80.7 | Confident | 81.1 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 163.6 | 174.4 | 28.9 | -35.4 | 0 | 0 | 0 | 110.6 | Q146 D157 | Q146-P155 HydrophobicContact CB-CB 4.43Å; P155-D157 PolarHBondContact O-N 3.44Å |
| 156 | Y | 79.5 | Confident | 82 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 27% | 0.271 | 34% | 0.341 | S | S | . | . | trans | -57.7 | 133.9 | 176 | -177.8 | -107.7 | 0 | 0 | 0 | 111.2 | E158 Y162 | Y156-E158 HydrophobicContact CD1-CG 4.2Å; Y156-E158 HydrophobicContact CE1-CB 4.49Å; Y156-E158 HydrophobicContact CE1-CG 3.44Å; Y156-E158 VanDerWaalsContact CE1-CG 3.44Å; Y156-Y162 HydrophobicContact CD2-CE2 4.13Å; Y156-Y162 HydrophobicContact CE2-CD2 4.28Å; Y156-Y162 AromaticContact CE2-CE2 3.98Å; Y156-Y162 HydrophobicContact CE2-CE2 3.98Å | ||
| 157 | D | 83.7 | Confident | 82.8 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | trans | -133.6 | 108.3 | -176.9 | 177 | -0.6 | 0 | 0 | 0 | 108 | P155 S159 R160 Y162 | P155-D157 PolarHBondContact O-N 3.44Å; D157-S159 VanDerWaalsContact CG-OG 3.23Å; D157-S159 PolarHBondContact O-N 3.29Å; D157-S159 VanDerWaalsContact O-N 3.15Å; D157-S159 WeakPolarHBondContact OD1-CB 3.08Å; D157-S159 PolarHBondContact OD1-N 3.4Å; D157-S159 PolarHBondContact OD1-OG 3.34Å; D157-S159 PolarHBondContact OD2-OG 3Å; D157-R160 HydrophobicContact CB-CG 4.47Å; D157-R160 PolarHBondContact O-N 3.49Å; D157-R160 VanDerWaalsContact OD2-CD 3.31Å; D157-R160 WeakPolarHBondContact OD2-CD 3.49Å; D157-R160 WeakPolarHBondContact OD2-CG 3.31Å; D157-R160 IonicContact OD2-NE 3.31Å; D157-R160 PolarHBondContact OD2-NE 3.37Å; D157-Y162 PolarHBondContact N-OH 3.31Å; D157-Y162 VanDerWaalsContact O-CE2 3.27Å; D157-Y162 WeakPolarHBondContact O-CE2 3.17Å; D157-Y162 PolarHBondContact O-OH 3.14Å | ||
| 158 | E | 82.2 | Confident | 83.6 | Confident | 125 Ų | 125 | 61.8 Ų | 61.8 | 58% | 0.584 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19.4 | -177.2 | -70.2 | 177.6 | 178.4 | 0 | 0 | 113.4 | Y156 R160 | Y156-E158 HydrophobicContact CD1-CG 4.2Å; Y156-E158 HydrophobicContact CE1-CB 4.49Å; Y156-E158 HydrophobicContact CE1-CG 3.44Å; Y156-E158 VanDerWaalsContact CE1-CG 3.44Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.75Å |
| 159 | S | 83 | Confident | 83.9 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.9 | -178.4 | 71.6 | 0 | 0 | 0 | 0 | 113.9 | D157 | D157-S159 VanDerWaalsContact CG-OG 3.23Å; D157-S159 PolarHBondContact O-N 3.29Å; D157-S159 VanDerWaalsContact O-N 3.15Å; D157-S159 WeakPolarHBondContact OD1-CB 3.08Å; D157-S159 PolarHBondContact OD1-N 3.4Å; D157-S159 PolarHBondContact OD1-OG 3.34Å; D157-S159 PolarHBondContact OD2-OG 3Å |
| 160 | R | 85.4 | Confident | 84.1 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 36% | 0.362 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -106.8 | 139.5 | -175.1 | -66.3 | 176.2 | -180 | -102 | -3.4 | 111.4 | D157 E158 Y162 E175 | D157-R160 HydrophobicContact CB-CG 4.47Å; D157-R160 PolarHBondContact O-N 3.49Å; D157-R160 VanDerWaalsContact OD2-CD 3.31Å; D157-R160 WeakPolarHBondContact OD2-CD 3.49Å; D157-R160 WeakPolarHBondContact OD2-CG 3.31Å; D157-R160 IonicContact OD2-NE 3.31Å; D157-R160 PolarHBondContact OD2-NE 3.37Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.75Å; R160-Y162 HydrophobicContact CB-CE2 4.05Å; R160-Y162 WeakPolarHBondContact O-CD2 3.38Å; R160-Y162 WeakPolarHBondContact O-CE2 3.44Å; R160-E175 IonicContact NH1-OE2 2.69Å; R160-E175 PolarHBondContact NH1-OE2 3.41Å; R160-E175 VanDerWaalsContact NH1-OE2 3.08Å |
| 161 | P | 89.4 | Confident | 84.2 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | trans | -73.5 | 136.4 | 171.8 | 30.8 | -34.1 | 0 | 0 | 0 | 110.6 | H173 C174 A181 | P161-H173 WeakPolarHBondContact O-CA 2.84Å; P161-C174 HydrophobicContact CB-CB 4.37Å; P161-C174 HydrophobicContact CG-CB 4.08Å; P161-C174 PolarHBondContact O-N 2.96Å; P161-A181 HydrophobicContact CB-CB 4.07Å; P161-A181 HydrophobicContact CG-CB 4.39Å | ||
| 162 | Y | 90.3 | Very high | 84.5 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150.8 | 175.9 | -66.1 | -106.5 | 0 | 0 | 0 | 111.9 | H149 Y156 D157 R160 W171 F172 H173 | H149-Y162 HydrophobicContact CB-CE1 4.17Å; Y156-Y162 HydrophobicContact CD2-CE2 4.13Å; Y156-Y162 HydrophobicContact CE2-CD2 4.28Å; Y156-Y162 AromaticContact CE2-CE2 3.98Å; Y156-Y162 HydrophobicContact CE2-CE2 3.98Å; D157-Y162 PolarHBondContact N-OH 3.31Å; D157-Y162 VanDerWaalsContact O-CE2 3.27Å; D157-Y162 WeakPolarHBondContact O-CE2 3.17Å; D157-Y162 PolarHBondContact O-OH 3.14Å; R160-Y162 HydrophobicContact CB-CE2 4.05Å; R160-Y162 WeakPolarHBondContact O-CD2 3.38Å; R160-Y162 WeakPolarHBondContact O-CE2 3.44Å; Y162-W171 HydrophobicContact CD1-CB 4.12Å; Y162-F172 CarbonylContact C-O 3.59Å; Y162-F172 WeakPolarHBondContact CA-O 3.48Å; Y162-H173 AromaticContact CD1-CD2 3.93Å; Y162-H173 AromaticContact CE1-CD2 3.31Å; Y162-H173 WeakPolarHBondContact CE1-CD2 3.38Å; Y162-H173 AromaticContact CE1-CE1 3.91Å; Y162-H173 AromaticContact CE1-NE2 3.18Å; Y162-H173 WeakPolarHBondContact CE1-NE2 3.27Å; Y162-H173 AromaticContact CE2-CD2 3.87Å; Y162-H173 AromaticContact CZ-CD2 3.27Å; Y162-H173 AromaticContact CZ-NE2 3.11Å; Y162-H173 PolarHBondContact OH-CD2 3.24Å; Y162-H173 PolarHBondContact OH-NE2 3.28Å |
| 163 | V | 89.8 | Confident | 84.7 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.7 | 168.4 | 65.4 | 0 | 0 | 0 | 0 | 109.3 | F172 V177 L179 A184 Y190 | V163-F172 HydrophobicContact CG1-CB 4.17Å; V163-F172 PolarHBondContact N-O 3.08Å; V163-F172 PolarHBondContact O-N 2.8Å; V163-V177 HydrophobicContact CG1-CG2 3.97Å; V163-L179 HydrophobicContact CG1-CD1 4.43Å; V163-A184 HydrophobicContact CB-CB 4.4Å; V163-A184 HydrophobicContact CG2-CB 4.46Å; V163-Y190 HydrophobicContact CB-CD1 4.31Å; V163-Y190 HydrophobicContact CG1-CD1 3.82Å; V163-Y190 HydrophobicContact CG1-CD2 4.48Å; V163-Y190 HydrophobicContact CG1-CE1 3.65Å; V163-Y190 HydrophobicContact CG1-CE2 4.34Å; V163-Y190 HydrophobicContact CG1-CG 4.26Å; V163-Y190 HydrophobicContact CG2-CD1 3.57Å; V163-Y190 HydrophobicContact CG2-CD2 4.11Å; V163-Y190 HydrophobicContact CG2-CE1 4.29Å; V163-Y190 HydrophobicContact CG2-CG 3.48Å; V163-Y190 VanDerWaalsContact CG2-CG 3.48Å |
| 164 | C | 88.6 | Confident | 85.1 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.7 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | G170 W171 Y190 | C164-G170 WeakPolarHBondContact CA-O 3.41Å; C164-W171 HydrophobicContact CB-CD2 4.34Å; C164-W171 HydrophobicContact CB-CE3 4.12Å; C164-W171 HydrophobicContact CB-CH2 4.3Å; C164-W171 HydrophobicContact CB-CZ2 4.48Å; C164-W171 HydrophobicContact CB-CZ3 4.11Å; C164-Y190 WeakPolarHBondContact O-CD1 3.15Å |
| 165 | C | 87.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -79 | 123.7 | 173.5 | 178 | 0 | 0 | 0 | 0 | 110.6 | V167 C168 E169 G170 F172 Y190 C192 | C165-V167 PolarHBondContact O-N 3.09Å; C165-V167 VanDerWaalsContact O-N 3.09Å; C165-C168 VanDerWaalsContact SG-SG 3.62Å; C165-E169 WeakPolarHBondContact O-CA 3.37Å; C165-E169 PolarHBondContact O-N 2.86Å; C165-G170 PolarHBondContact N-O 3.47Å; C165-F172 HydrophobicContact CB-CD2 4.28Å; C165-F172 HydrophobicContact CB-CE2 3.7Å; C165-Y190 CarbonylContact C-O 3.32Å; C165-Y190 WeakPolarHBondContact CA-O 3.2Å; C165-Y190 HydrophobicContact CB-CD1 4.34Å; C165-Y190 HydrophobicContact CB-CE1 4.45Å; C165-C192 HydrophobicContact CB-CB 4.02Å; C165-C192 PolarHBondContact SG-N 3.29Å; C165-C192 VanDerWaalsContact SG-SG 3.69Å | ||
| 166 | D | 83 | Confident | 86 | Confident | 91 Ų | 91 | 56.6 Ų | 56.6 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.2 | -179.4 | -67 | -67.8 | 0 | 0 | 0 | 114.2 | L189 Y190 | D166-L189 HydrophobicContact CB-CD2 4.41Å; D166-L189 VanDerWaalsContact OD2-CA 3.22Å; D166-L189 WeakPolarHBondContact OD2-CA 3.16Å; D166-Y190 PolarHBondContact N-O 3.15Å; D166-Y190 PolarHBondContact OD2-N 2.86Å |
| 167 | V | 75.7 | Confident | 86.5 | Confident | 71 Ų | 71 | 54.4 Ų | 54.4 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -47.4 | -176.9 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | C165 V191 C195 N202 | C165-V167 PolarHBondContact O-N 3.09Å; C165-V167 VanDerWaalsContact O-N 3.09Å; V167-V191 HydrophobicContact CG2-CG1 3.94Å; V167-V191 HydrophobicContact CG2-CG2 4.02Å; V167-C195 HydrophobicContact CB-CB 3.91Å; V167-C195 HydrophobicContact CG1-CB 3.95Å; V167-C195 HydrophobicContact CG2-CB 4.37Å; V167-N202 VanDerWaalsContact CG1-ND2 3.29Å; V167-N202 WeakPolarHBondContact CG1-ND2 3.38Å |
| 168 | C | 81.8 | Confident | 86.8 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -0.3 | -178.6 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | C165 G170 C195 | C165-C168 VanDerWaalsContact SG-SG 3.62Å; C168-G170 PolarHBondContact O-N 2.88Å; C168-C195 VanDerWaalsContact CB-SG 3.59Å; C168-C195 VanDerWaalsContact SG-SG 3.64Å |
| 169 | E | 82.6 | Confident | 87.1 | Confident | 156 Ų | 156 | 50.8 Ų | 50.8 | 73% | 0.729 | 29% | 0.292 | S | S | * | . | trans | 55.6 | 19.3 | -175.9 | -55.5 | -175.9 | 161.1 | 0 | 0 | 113.5 | C165 | C165-E169 WeakPolarHBondContact O-CA 3.37Å; C165-E169 PolarHBondContact O-N 2.86Å | ||
| 170 | G | 83.5 | Confident | 87.4 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | trans | -79.8 | 143.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C164 C165 C168 F172 | C164-G170 WeakPolarHBondContact CA-O 3.41Å; C165-G170 PolarHBondContact N-O 3.47Å; C168-G170 PolarHBondContact O-N 2.88Å; G170-F172 WeakPolarHBondContact O-CD2 3.18Å; G170-F172 WeakPolarHBondContact O-CE2 3.22Å | ||
| 171 | W | 89.8 | Confident | 87.4 | Confident | 72 Ų | 72 | 47.8 Ų | 47.8 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 135.9 | 176.2 | -63 | 86.7 | 0 | 0 | 0 | 111.4 | I41 H149 C150 Y162 C164 | I41-W171 HydrophobicContact CD1-CH2 3.87Å; H149-W171 HydrophobicContact CB-CB 4.31Å; H149-W171 AromaticContact CD2-CD1 3.95Å; C150-W171 WeakPolarHBondContact CA-O 3.27Å; C150-W171 PolarHBondContact N-O 2.81Å; Y162-W171 HydrophobicContact CD1-CB 4.12Å; C164-W171 HydrophobicContact CB-CD2 4.34Å; C164-W171 HydrophobicContact CB-CE3 4.12Å; C164-W171 HydrophobicContact CB-CH2 4.3Å; C164-W171 HydrophobicContact CB-CZ2 4.48Å; C164-W171 HydrophobicContact CB-CZ3 4.11Å |
| 172 | F | 91.2 | Very high | 87.3 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.8 | -178.5 | -59.2 | -89.6 | 0 | 0 | 0 | 110.2 | I151 Y162 V163 C165 G170 C174 V177 Y190 C192 | I151-F172 HydrophobicContact CG2-CD1 4.02Å; I151-F172 HydrophobicContact CG2-CE1 3.82Å; Y162-F172 CarbonylContact C-O 3.59Å; Y162-F172 WeakPolarHBondContact CA-O 3.48Å; V163-F172 HydrophobicContact CG1-CB 4.17Å; V163-F172 PolarHBondContact N-O 3.08Å; V163-F172 PolarHBondContact O-N 2.8Å; C165-F172 HydrophobicContact CB-CD2 4.28Å; C165-F172 HydrophobicContact CB-CE2 3.7Å; G170-F172 WeakPolarHBondContact O-CD2 3.18Å; G170-F172 WeakPolarHBondContact O-CE2 3.22Å; F172-C174 PolarHBondContact O-N 2.76Å; F172-V177 HydrophobicContact CB-CG1 3.71Å; F172-V177 HydrophobicContact CD1-CG1 4.29Å; F172-V177 HydrophobicContact CG-CG1 4.19Å; F172-Y190 HydrophobicContact CD2-CE1 4.14Å; F172-C192 HydrophobicContact CD2-CB 4.07Å; F172-C192 HydrophobicContact CE1-CB 4.12Å; F172-C192 HydrophobicContact CE2-CB 3.53Å; F172-C192 HydrophobicContact CZ-CB 3.56Å |
| 173 | H | 90.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 135 | 169.9 | -53.7 | 102.3 | 0 | 0 | 0 | 109.4 | C150 C152 T154 P161 Y162 E175 C176 V177 | C150-H173 VanDerWaalsContact CB-ND1 3.27Å; C150-H173 WeakPolarHBondContact CB-ND1 3.18Å; C150-H173 PolarHBondContact SG-N 3.45Å; C150-H173 PolarHBondContact SG-ND1 3.01Å; C152-H173 PolarHBondContact SG-CE1 3.03Å; C152-H173 PolarHBondContact SG-ND1 3.23Å; T154-H173 PolarHBondContact OG1-CE1 3.08Å; P161-H173 WeakPolarHBondContact O-CA 2.84Å; Y162-H173 AromaticContact CD1-CD2 3.93Å; Y162-H173 AromaticContact CE1-CD2 3.31Å; Y162-H173 WeakPolarHBondContact CE1-CD2 3.38Å; Y162-H173 AromaticContact CE1-CE1 3.91Å; Y162-H173 AromaticContact CE1-NE2 3.18Å; Y162-H173 WeakPolarHBondContact CE1-NE2 3.27Å; Y162-H173 AromaticContact CE2-CD2 3.87Å; Y162-H173 AromaticContact CZ-CD2 3.27Å; Y162-H173 AromaticContact CZ-NE2 3.11Å; Y162-H173 PolarHBondContact OH-CD2 3.24Å; Y162-H173 PolarHBondContact OH-NE2 3.28Å; H173-E175 PolarHBondContact O-N 2.89Å; H173-C176 HydrophobicContact CB-CB 4.06Å; H173-C176 PolarHBondContact O-N 3.44Å; H173-V177 PolarHBondContact O-N 2.99Å |
| 174 | C | 89 | Confident | 86.9 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.3 | -42.6 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | P161 F172 C176 V177 G178 L179 | P161-C174 HydrophobicContact CB-CB 4.37Å; P161-C174 HydrophobicContact CG-CB 4.08Å; P161-C174 PolarHBondContact O-N 2.96Å; F172-C174 PolarHBondContact O-N 2.76Å; C174-C176 PolarHBondContact O-N 3.31Å; C174-V177 VanDerWaalsContact O-CG2 3.3Å; C174-V177 WeakPolarHBondContact O-CG2 3.34Å; C174-V177 PolarHBondContact O-N 3.45Å; C174-G178 PolarHBondContact O-N 3.48Å; C174-L179 CarbonylContact C-O 3.58Å; C174-L179 HydrophobicContact CB-CB 4.12Å; C174-L179 WeakPolarHBondContact CB-O 3.35Å; C174-L179 PolarHBondContact O-N 3.36Å; C174-L179 VanDerWaalsContact O-O 3.04Å |
| 175 | E | 91.1 | Very high | 86.7 | Confident | 126 Ų | 126 | 59.1 Ų | 59.1 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.7 | -45.1 | 175.5 | -63.5 | 175.7 | 175.9 | 0 | 0 | 113.3 | R160 H173 V177 G178 | R160-E175 IonicContact NH1-OE2 2.69Å; R160-E175 PolarHBondContact NH1-OE2 3.41Å; R160-E175 VanDerWaalsContact NH1-OE2 3.08Å; H173-E175 PolarHBondContact O-N 2.89Å; E175-V177 PolarHBondContact O-N 3.37Å; E175-G178 PolarHBondContact O-N 3.06Å |
| 176 | C | 89.5 | Confident | 86.5 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.9 | -25.5 | -177.6 | -70.2 | 0 | 0 | 0 | 0 | 112.8 | C150 I151 H173 C174 | C150-C176 WeakPolarHBondContact SG-CB 3.31Å; C150-C176 VanDerWaalsContact SG-SG 3.67Å; I151-C176 HydrophobicContact CD1-CB 4.19Å; I151-C176 HydrophobicContact CG1-CB 4.01Å; H173-C176 HydrophobicContact CB-CB 4.06Å; H173-C176 PolarHBondContact O-N 3.44Å; C174-C176 PolarHBondContact O-N 3.31Å |
| 177 | V | 89.4 | Confident | 86.4 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -101.3 | 0.3 | -179.8 | -58 | 0 | 0 | 0 | 0 | 112.9 | V163 F172 H173 C174 E175 L179 Y190 | V163-V177 HydrophobicContact CG1-CG2 3.97Å; F172-V177 HydrophobicContact CB-CG1 3.71Å; F172-V177 HydrophobicContact CD1-CG1 4.29Å; F172-V177 HydrophobicContact CG-CG1 4.19Å; H173-V177 PolarHBondContact O-N 2.99Å; C174-V177 VanDerWaalsContact O-CG2 3.3Å; C174-V177 WeakPolarHBondContact O-CG2 3.34Å; C174-V177 PolarHBondContact O-N 3.45Å; E175-V177 PolarHBondContact O-N 3.37Å; V177-L179 HydrophobicContact CG2-CB 4.19Å; V177-L179 HydrophobicContact CG2-CD1 3.93Å; V177-L179 HydrophobicContact CG2-CG 3.98Å; V177-Y190 VanDerWaalsContact CB-OH 3.24Å; V177-Y190 WeakPolarHBondContact CB-OH 3.39Å; V177-Y190 WeakPolarHBondContact CG1-OH 3.47Å; V177-Y190 HydrophobicContact CG2-CE2 4.33Å |
| 178 | G | 88.5 | Confident | 86.4 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 72% | 0.722 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 24.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C174 E175 | C174-G178 PolarHBondContact O-N 3.48Å; E175-G178 PolarHBondContact O-N 3.06Å |
| 179 | L | 88.6 | Confident | 86.4 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 18% | 0.183 | 38% | 0.375 | C | S | . | . | trans | -107.1 | 145.5 | 176 | -65.8 | 176.6 | 0 | 0 | 0 | 110.9 | V163 C174 V177 A183 A184 I187 Y190 | V163-L179 HydrophobicContact CG1-CD1 4.43Å; C174-L179 CarbonylContact C-O 3.58Å; C174-L179 HydrophobicContact CB-CB 4.12Å; C174-L179 WeakPolarHBondContact CB-O 3.35Å; C174-L179 PolarHBondContact O-N 3.36Å; C174-L179 VanDerWaalsContact O-O 3.04Å; V177-L179 HydrophobicContact CG2-CB 4.19Å; V177-L179 HydrophobicContact CG2-CD1 3.93Å; V177-L179 HydrophobicContact CG2-CG 3.98Å; L179-A183 HydrophobicContact CD2-CB 4.28Å; L179-A184 HydrophobicContact CD1-CB 4.45Å; L179-I187 HydrophobicContact CD1-CD1 3.71Å; L179-I187 HydrophobicContact CD2-CD1 3.56Å; L179-I187 HydrophobicContact CG-CD1 4.3Å; L179-Y190 HydrophobicContact CD1-CD2 3.81Å; L179-Y190 HydrophobicContact CD1-CE2 3.68Å | ||
| 180 | T | 89.7 | Confident | 86.5 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | trans | -84.9 | 162 | 162.3 | 62.4 | 0 | 0 | 0 | 0 | 109.4 | E182 A183 A184 | T180-E182 VanDerWaalsContact C-N 3.28Å; T180-E182 PolarHBondContact O-N 2.93Å; T180-A183 PolarHBondContact O-N 3.39Å; T180-A183 VanDerWaalsContact OG1-CB 3.27Å; T180-A183 WeakPolarHBondContact OG1-CB 3.38Å; T180-A183 PolarHBondContact OG1-N 2.8Å; T180-A183 VanDerWaalsContact OG1-N 3.16Å; T180-A184 WeakPolarHBondContact O-CB 3.47Å; T180-A184 PolarHBondContact O-N 3.31Å | ||
| 181 | A | 86.1 | Confident | 86.5 | Confident | 37 Ų | 37 | 60 Ų | 60 | 31% | 0.306 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P161 A184 E185 | P161-A181 HydrophobicContact CB-CB 4.07Å; P161-A181 HydrophobicContact CG-CB 4.39Å; A181-A184 PolarHBondContact O-N 3.44Å; A181-E185 PolarHBondContact O-N 3.42Å |
| 182 | E | 87.5 | Confident | 86.4 | Confident | 163 Ų | 163 | 56.6 Ų | 56.6 | 76% | 0.762 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | 176 | -62.4 | 175.5 | 177.9 | 0 | 0 | 112.3 | T180 E185 A186 | T180-E182 VanDerWaalsContact C-N 3.28Å; T180-E182 PolarHBondContact O-N 2.93Å; E182-E185 PolarHBondContact O-N 3.5Å; E182-A186 PolarHBondContact O-N 3.25Å; E182-A186 VanDerWaalsContact O-N 3.1Å |
| 183 | A | 85.4 | Confident | 86.1 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 28% | 0.281 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L179 T180 E185 A186 I187 | L179-A183 HydrophobicContact CD2-CB 4.28Å; T180-A183 PolarHBondContact O-N 3.39Å; T180-A183 VanDerWaalsContact OG1-CB 3.27Å; T180-A183 WeakPolarHBondContact OG1-CB 3.38Å; T180-A183 PolarHBondContact OG1-N 2.8Å; T180-A183 VanDerWaalsContact OG1-N 3.16Å; A183-E185 VanDerWaalsContact C-N 3.33Å; A183-E185 PolarHBondContact O-N 2.88Å; A183-A186 PolarHBondContact O-N 3.28Å; A183-I187 VanDerWaalsContact O-CD1 3.31Å; A183-I187 WeakPolarHBondContact O-CD1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.38Å; A183-I187 PolarHBondContact O-N 3.42Å |
| 184 | A | 86.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V163 L179 T180 A181 I187 | V163-A184 HydrophobicContact CB-CB 4.4Å; V163-A184 HydrophobicContact CG2-CB 4.46Å; L179-A184 HydrophobicContact CD1-CB 4.45Å; T180-A184 WeakPolarHBondContact O-CB 3.47Å; T180-A184 PolarHBondContact O-N 3.31Å; A181-A184 PolarHBondContact O-N 3.44Å; A184-I187 PolarHBondContact O-N 2.9Å |
| 185 | E | 84.1 | Confident | 85.3 | Confident | 126 Ų | 126 | 66.9 Ų | 66.9 | 59% | 0.589 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -69.6 | -32 | 175.8 | -170.7 | 169.6 | -167.1 | 0 | 0 | 112.6 | V40 A181 E182 A183 I187 | V40-E185 HydrophobicContact CG2-CB 4.47Å; A181-E185 PolarHBondContact O-N 3.42Å; E182-E185 PolarHBondContact O-N 3.5Å; A183-E185 VanDerWaalsContact C-N 3.33Å; A183-E185 PolarHBondContact O-N 2.88Å; E185-I187 VanDerWaalsContact C-N 3.35Å |
| 186 | A | 83.2 | Confident | 84.9 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 65% | 0.653 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -77.3 | -15.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | E182 A183 P188 | E182-A186 PolarHBondContact O-N 3.25Å; E182-A186 VanDerWaalsContact O-N 3.1Å; A183-A186 PolarHBondContact O-N 3.28Å; A186-P188 WeakPolarHBondContact O-CD 3.46Å |
| 187 | I | 80.8 | Confident | 84.2 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | trans | -86.1 | 113.4 | -177.9 | -71 | 160.6 | 0 | 0 | 0 | 109.3 | I38 L179 A183 A184 E185 L189 | I38-I187 WeakPolarHBondContact CD1-O 3.24Å; L179-I187 HydrophobicContact CD1-CD1 3.71Å; L179-I187 HydrophobicContact CD2-CD1 3.56Å; L179-I187 HydrophobicContact CG-CD1 4.3Å; A183-I187 VanDerWaalsContact O-CD1 3.31Å; A183-I187 WeakPolarHBondContact O-CD1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.38Å; A183-I187 PolarHBondContact O-N 3.42Å; A184-I187 PolarHBondContact O-N 2.9Å; E185-I187 VanDerWaalsContact C-N 3.35Å; I187-L189 VanDerWaalsContact C-N 3.31Å; I187-L189 VanDerWaalsContact CG2-C 3.49Å; I187-L189 WeakPolarHBondContact CG2-O 3.25Å; I187-L189 PolarHBondContact O-N 3.13Å | ||
| 188 | P | 75.9 | Confident | 83.2 | Confident | 93 Ų | 93 | 74.5 Ų | 74.5 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -71.5 | -24.8 | -177.3 | 28.3 | -35.5 | 0 | 0 | 0 | 113.9 | A186 | A186-P188 WeakPolarHBondContact O-CD 3.46Š|
| 189 | L | 81.3 | Confident | 82.2 | Confident | 123 Ų | 123 | 77 Ų | 77 | 64% | 0.644 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -144.2 | 122.1 | 177.8 | -69.9 | 173.4 | 0 | 0 | 0 | 109.4 | D166 I187 | D166-L189 HydrophobicContact CB-CD2 4.41Å; D166-L189 VanDerWaalsContact OD2-CA 3.22Å; D166-L189 WeakPolarHBondContact OD2-CA 3.16Å; I187-L189 VanDerWaalsContact C-N 3.31Å; I187-L189 VanDerWaalsContact CG2-C 3.49Å; I187-L189 WeakPolarHBondContact CG2-O 3.25Å; I187-L189 PolarHBondContact O-N 3.13Å |
| 190 | Y | 85 | Confident | 80.7 | Confident | 24 Ų | 24 | 80.8 Ų | 80.8 | 9% | 0.094 | 43% | 0.426 | C | S | . | . | trans | -109.2 | 126.5 | 178.6 | 177.6 | -102.3 | 0 | 0 | 0 | 111 | V163 C164 C165 D166 F172 V177 L179 C192 | V163-Y190 HydrophobicContact CB-CD1 4.31Å; V163-Y190 HydrophobicContact CG1-CD1 3.82Å; V163-Y190 HydrophobicContact CG1-CD2 4.48Å; V163-Y190 HydrophobicContact CG1-CE1 3.65Å; V163-Y190 HydrophobicContact CG1-CE2 4.34Å; V163-Y190 HydrophobicContact CG1-CG 4.26Å; V163-Y190 HydrophobicContact CG2-CD1 3.57Å; V163-Y190 HydrophobicContact CG2-CD2 4.11Å; V163-Y190 HydrophobicContact CG2-CE1 4.29Å; V163-Y190 HydrophobicContact CG2-CG 3.48Å; V163-Y190 VanDerWaalsContact CG2-CG 3.48Å; C164-Y190 WeakPolarHBondContact O-CD1 3.15Å; C165-Y190 CarbonylContact C-O 3.32Å; C165-Y190 WeakPolarHBondContact CA-O 3.2Å; C165-Y190 HydrophobicContact CB-CD1 4.34Å; C165-Y190 HydrophobicContact CB-CE1 4.45Å; D166-Y190 PolarHBondContact N-O 3.15Å; D166-Y190 PolarHBondContact OD2-N 2.86Å; F172-Y190 HydrophobicContact CD2-CE1 4.14Å; V177-Y190 VanDerWaalsContact CB-OH 3.24Å; V177-Y190 WeakPolarHBondContact CB-OH 3.39Å; V177-Y190 WeakPolarHBondContact CG1-OH 3.47Å; V177-Y190 HydrophobicContact CG2-CE2 4.33Å; L179-Y190 HydrophobicContact CD1-CD2 3.81Å; L179-Y190 HydrophobicContact CD1-CE2 3.68Å; Y190-C192 HydrophobicContact CE1-CB 4.03Å | ||
| 191 | V | 83.6 | Confident | 79.2 | Confident | 57 Ų | 57 | 81 Ų | 81 | 35% | 0.345 | 43% | 0.426 | S | S | . | . | trans | -117.8 | 121.9 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | V167 C195 D196 | V167-V191 HydrophobicContact CG2-CG1 3.94Å; V167-V191 HydrophobicContact CG2-CG2 4.02Å; V191-C195 HydrophobicContact CG1-CB 3.54Å; V191-D196 HydrophobicContact CG1-CB 4.19Å | ||
| 192 | C | 86.6 | Confident | 77.9 | Confident | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.014 | 43% | 0.428 | C | S | . | . | trans | -68.4 | 154.8 | 179 | 75.7 | 0 | 0 | 0 | 0 | 111 | C165 F172 Y190 I194 C195 D196 | C165-C192 HydrophobicContact CB-CB 4.02Å; C165-C192 PolarHBondContact SG-N 3.29Å; C165-C192 VanDerWaalsContact SG-SG 3.69Å; F172-C192 HydrophobicContact CD2-CB 4.07Å; F172-C192 HydrophobicContact CE1-CB 4.12Å; F172-C192 HydrophobicContact CE2-CB 3.53Å; F172-C192 HydrophobicContact CZ-CB 3.56Å; Y190-C192 HydrophobicContact CE1-CB 4.03Å; C192-I194 PolarHBondContact O-N 2.67Å; C192-I194 VanDerWaalsContact O-N 3.09Å; C192-C195 CarbonylContact O-C 3.59Å; C192-C195 WeakPolarHBondContact O-CA 3.16Å; C192-C195 PolarHBondContact O-N 3.01Å; C192-D196 PolarHBondContact O-N 3.48Å | ||
| 193 | K | 86 | Confident | 76.6 | Confident | 141 Ų | 141 | 75.4 Ų | 75.4 | 61% | 0.613 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -52.2 | -38 | -178.3 | -64.8 | -175.1 | 178.7 | 179.9 | 0 | 113.4 | C195 D196 E197 | K193-C195 VanDerWaalsContact C-N 3.33Å; K193-C195 PolarHBondContact O-N 3.43Å; K193-D196 PolarHBondContact O-N 3.45Å; K193-E197 WeakPolarHBondContact O-CB 3.38Å; K193-E197 VanDerWaalsContact O-CG 3.24Å; K193-E197 WeakPolarHBondContact O-CG 3.39Å; K193-E197 PolarHBondContact O-N 2.99Å |
| 194 | I | 83.6 | Confident | 75.3 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 177.9 | -57 | 170.8 | 0 | 0 | 0 | 111.3 | I151 C192 K198 | I151-I194 HydrophobicContact CG2-CD1 4.36Å; C192-I194 PolarHBondContact O-N 2.67Å; C192-I194 VanDerWaalsContact O-N 3.09Å; I194-K198 HydrophobicContact CG2-CD 4.47Å; I194-K198 WeakPolarHBondContact O-CB 3.24Å; I194-K198 VanDerWaalsContact O-CG 3.24Å; I194-K198 WeakPolarHBondContact O-CG 3.21Å; I194-K198 PolarHBondContact O-N 3.29Å |
| 195 | C | 79.3 | Confident | 74.2 | Confident | 11 Ų | 11 | 79.7 Ų | 79.7 | 7% | 0.074 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -78.5 | -31.4 | 177.3 | -71 | 0 | 0 | 0 | 0 | 112 | V167 C168 V191 C192 K193 K198 R199 | V167-C195 HydrophobicContact CB-CB 3.91Å; V167-C195 HydrophobicContact CG1-CB 3.95Å; V167-C195 HydrophobicContact CG2-CB 4.37Å; C168-C195 VanDerWaalsContact CB-SG 3.59Å; C168-C195 VanDerWaalsContact SG-SG 3.64Å; V191-C195 HydrophobicContact CG1-CB 3.54Å; C192-C195 CarbonylContact O-C 3.59Å; C192-C195 WeakPolarHBondContact O-CA 3.16Å; C192-C195 PolarHBondContact O-N 3.01Å; K193-C195 VanDerWaalsContact C-N 3.33Å; K193-C195 PolarHBondContact O-N 3.43Å; C195-K198 CarbonylContact O-C 3.58Å; C195-K198 VanDerWaalsContact O-C 3.32Å; C195-K198 PolarHBondContact O-N 3.3Å; C195-R199 PolarHBondContact O-N 3.06Å |
| 196 | D | 82.3 | Confident | 73.5 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 176 | -164.1 | 42.1 | 0 | 0 | 0 | 111.2 | V191 C192 K193 K198 R199 | V191-D196 HydrophobicContact CG1-CB 4.19Å; C192-D196 PolarHBondContact O-N 3.48Å; K193-D196 PolarHBondContact O-N 3.45Å; D196-K198 PolarHBondContact O-N 3.19Å; D196-R199 WeakPolarHBondContact O-CB 3.46Å; D196-R199 PolarHBondContact O-N 3.38Å |
| 197 | E | 75.6 | Confident | 73.2 | Confident | 158 Ų | 158 | 82.1 Ų | 82.1 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.8 | -30.5 | 170.3 | -74.2 | 168.5 | -168.6 | 0 | 0 | 112.2 | K193 | K193-E197 WeakPolarHBondContact O-CB 3.38Å; K193-E197 VanDerWaalsContact O-CG 3.24Å; K193-E197 WeakPolarHBondContact O-CG 3.39Å; K193-E197 PolarHBondContact O-N 2.99Å |
| 198 | K | 68.5 | Low | 73.2 | Confident | 110 Ų | 110 | 80.9 Ų | 80.9 | 48% | 0.478 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 5.8 | 176.1 | -67.5 | 177.3 | -176.7 | -175.1 | 0 | 113.1 | I194 C195 D196 D200 V201 N202 | I194-K198 HydrophobicContact CG2-CD 4.47Å; I194-K198 WeakPolarHBondContact O-CB 3.24Å; I194-K198 VanDerWaalsContact O-CG 3.24Å; I194-K198 WeakPolarHBondContact O-CG 3.21Å; I194-K198 PolarHBondContact O-N 3.29Å; C195-K198 CarbonylContact O-C 3.58Å; C195-K198 VanDerWaalsContact O-C 3.32Å; C195-K198 PolarHBondContact O-N 3.3Å; D196-K198 PolarHBondContact O-N 3.19Å; K198-D200 VanDerWaalsContact C-N 3.26Å; K198-D200 PolarHBondContact O-N 3.28Å; K198-V201 WeakPolarHBondContact O-CB 3.38Å; K198-V201 PolarHBondContact O-N 3.26Å; K198-N202 PolarHBondContact O-N 2.9Å |
| 199 | R | 65.8 | Low | 73.6 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 47% | 0.468 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.5 | -38.1 | -171.5 | -174.6 | 175.3 | -179.4 | -178.7 | -0.4 | 112.3 | C195 D196 V201 N202 A203 | C195-R199 PolarHBondContact O-N 3.06Å; D196-R199 WeakPolarHBondContact O-CB 3.46Å; D196-R199 PolarHBondContact O-N 3.38Å; R199-V201 VanDerWaalsContact C-N 3.3Å; R199-V201 PolarHBondContact O-N 3.24Å; R199-N202 PolarHBondContact O-N 3.18Å; R199-A203 WeakPolarHBondContact O-CB 3.3Å; R199-A203 PolarHBondContact O-N 2.65Å |
| 200 | D | 58.5 | Low | 73.8 | Confident | 114 Ų | 114 | 78.3 Ų | 78.3 | 61% | 0.61 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.4 | -36.1 | 177.5 | -72 | -30.5 | 0 | 0 | 0 | 112.4 | K198 M204 | K198-D200 VanDerWaalsContact C-N 3.26Å; K198-D200 PolarHBondContact O-N 3.28Å; D200-M204 WeakPolarHBondContact O-CB 3.19Å; D200-M204 VanDerWaalsContact O-CG 3.31Å; D200-M204 WeakPolarHBondContact O-CG 3.07Å; D200-M204 PolarHBondContact O-N 2.84Å |
| 201 | V | 57.9 | Low | 73.8 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.2 | -46.6 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 110 | K198 R199 A203 M204 V205 | K198-V201 WeakPolarHBondContact O-CB 3.38Å; K198-V201 PolarHBondContact O-N 3.26Å; R199-V201 VanDerWaalsContact C-N 3.3Å; R199-V201 PolarHBondContact O-N 3.24Å; V201-A203 PolarHBondContact O-N 3.14Å; V201-M204 PolarHBondContact O-N 3.4Å; V201-M204 VanDerWaalsContact O-N 3.11Å; V201-V205 WeakPolarHBondContact O-CG2 3.31Å; V201-V205 PolarHBondContact O-N 3.06Å |
| 202 | N | 57.8 | Low | 73.9 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | -179.8 | -72.8 | -11.1 | 0 | 0 | 0 | 112.3 | V167 K198 R199 M204 V205 K206 | V167-N202 VanDerWaalsContact CG1-ND2 3.29Å; V167-N202 WeakPolarHBondContact CG1-ND2 3.38Å; K198-N202 PolarHBondContact O-N 2.9Å; R199-N202 PolarHBondContact O-N 3.18Å; N202-M204 VanDerWaalsContact C-N 3.27Å; N202-M204 PolarHBondContact O-N 2.83Å; N202-V205 PolarHBondContact O-N 3.38Å; N202-K206 PolarHBondContact O-N 3.22Å |
| 203 | A | 60.4 | Low | 74.1 | Confident | 21 Ų | 21 | 79.4 Ų | 79.4 | 17% | 0.174 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R199 V201 | R199-A203 WeakPolarHBondContact O-CB 3.3Å; R199-A203 PolarHBondContact O-N 2.65Å; V201-A203 PolarHBondContact O-N 3.14Å |
| 204 | M | 58.9 | Low | 74.4 | Confident | 39 Ų | 39 | 74 Ų | 74 | 19% | 0.192 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -75.6 | -25.9 | 177.2 | -77.3 | -161.7 | -114 | 0 | 0 | 113.9 | D200 V201 N202 T268 L269 S270 K312 | D200-M204 WeakPolarHBondContact O-CB 3.19Å; D200-M204 VanDerWaalsContact O-CG 3.31Å; D200-M204 WeakPolarHBondContact O-CG 3.07Å; D200-M204 PolarHBondContact O-N 2.84Å; V201-M204 PolarHBondContact O-N 3.4Å; V201-M204 VanDerWaalsContact O-N 3.11Å; N202-M204 VanDerWaalsContact C-N 3.27Å; N202-M204 PolarHBondContact O-N 2.83Å; M204-T268 WeakPolarHBondContact O-CB 3.33Å; M204-L269 PolarHBondContact O-N 3.43Å; M204-S270 VanDerWaalsContact C-OG 3.25Å; M204-S270 WeakPolarHBondContact CB-OG 3.39Å; M204-S270 PolarHBondContact O-N 2.84Å; M204-S270 PolarHBondContact O-OG 3.44Å; M204-K312 VanDerWaalsContact CE-NZ 3.27Å; M204-K312 HydrophobicContact CG-CD 4.48Å; M204-K312 PolarHBondContact SD-NZ 3.07Å |
| 205 | V | 62.8 | Low | 74.7 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -94.1 | -11.8 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | V201 N202 Q207 T268 | V201-V205 WeakPolarHBondContact O-CG2 3.31Å; V201-V205 PolarHBondContact O-N 3.06Å; N202-V205 PolarHBondContact O-N 3.38Å; V205-Q207 PolarHBondContact O-N 2.93Å; V205-T268 WeakPolarHBondContact O-CG2 3.34Å |
| 206 | K | 70.4 | Confident | 75.4 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 43% | 0.426 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -58.6 | 135 | 175.2 | -171 | -174.9 | 174.8 | -168.7 | 0 | 110.6 | N202 L208 | N202-K206 PolarHBondContact O-N 3.22Å; K206-L208 PolarHBondContact O-N 3.16Å |
| 207 | Q | 76.4 | Confident | 75.9 | Confident | 157 Ų | 157 | 73.1 Ų | 73.1 | 73% | 0.734 | 39% | 0.388 | S | S | * | . | B | Isolated β-bridge | trans | -60.3 | 131.7 | 172.8 | -72.8 | -171.7 | -22.4 | 0 | 0 | 110.9 | V205 T209 C267 | V205-Q207 PolarHBondContact O-N 2.93Å; Q207-T209 PolarHBondContact O-N 3.28Å; Q207-C267 WeakPolarHBondContact CA-O 3.27Å |
| 208 | L | 81.5 | Confident | 76.7 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 126.9 | 177.8 | -76 | 168.3 | 0 | 0 | 0 | 110.6 | K206 D212 Y213 L216 Y266 C267 L269 | K206-L208 PolarHBondContact O-N 3.16Å; L208-D212 HydrophobicContact CD2-CB 3.53Å; L208-Y213 HydrophobicContact CB-CD2 4.44Å; L208-Y213 HydrophobicContact CB-CE2 3.89Å; L208-L216 HydrophobicContact CD1-CD1 3.72Å; L208-L216 HydrophobicContact CD2-CD1 3.86Å; L208-L216 HydrophobicContact CG-CD1 4.45Å; L208-Y266 WeakPolarHBondContact CD1-O 3.34Å; L208-C267 PolarHBondContact N-O 3.29Å; L208-L269 HydrophobicContact CD2-CD2 3.68Å; L208-L269 HydrophobicContact CD2-CG 3.7Å |
| 209 | T | 84.1 | Confident | 77.9 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 164 | 172.6 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | Q207 A211 D212 Y213 | Q207-T209 PolarHBondContact O-N 3.28Å; T209-A211 PolarHBondContact O-N 3.23Å; T209-D212 WeakPolarHBondContact CB-OD2 3.46Å; T209-D212 PolarHBondContact N-OD2 2.91Å; T209-D212 WeakPolarHBondContact O-CA 3.19Å; T209-D212 WeakPolarHBondContact O-CB 3.5Å; T209-D212 PolarHBondContact O-N 3.39Å; T209-D212 PolarHBondContact OG1-N 3.21Å; T209-D212 PolarHBondContact OG1-OD2 3.17Å; T209-Y213 WeakPolarHBondContact O-CD2 3.43Å; T209-Y213 PolarHBondContact O-N 3.1Å; T209-Y213 VanDerWaalsContact O-N 3.14Å |
| 210 | S | 84 | Confident | 79.2 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -55 | -33.9 | 173.9 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | D212 Y213 G214 | S210-D212 VanDerWaalsContact C-N 3.32Å; S210-Y213 PolarHBondContact O-N 3.4Å; S210-G214 PolarHBondContact O-N 3.2Å |
| 211 | A | 85 | Confident | 80.9 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 51% | 0.512 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.7 | -31.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T209 K215 | T209-A211 PolarHBondContact O-N 3.23Å; A211-K215 PolarHBondContact O-N 2.74Å |
| 212 | D | 87 | Confident | 82.6 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 176.2 | -57.7 | -48.4 | 0 | 0 | 0 | 110.6 | L208 T209 S210 G214 K215 L216 | L208-D212 HydrophobicContact CD2-CB 3.53Å; T209-D212 WeakPolarHBondContact CB-OD2 3.46Å; T209-D212 PolarHBondContact N-OD2 2.91Å; T209-D212 WeakPolarHBondContact O-CA 3.19Å; T209-D212 WeakPolarHBondContact O-CB 3.5Å; T209-D212 PolarHBondContact O-N 3.39Å; T209-D212 PolarHBondContact OG1-N 3.21Å; T209-D212 PolarHBondContact OG1-OD2 3.17Å; S210-D212 VanDerWaalsContact C-N 3.32Å; D212-G214 VanDerWaalsContact C-N 3.34Å; D212-G214 PolarHBondContact O-N 3.24Å; D212-K215 WeakPolarHBondContact O-CA 3.27Å; D212-K215 WeakPolarHBondContact O-CB 3.33Å; D212-K215 PolarHBondContact O-N 3.36Å; D212-L216 WeakPolarHBondContact O-CG 3.31Å; D212-L216 PolarHBondContact O-N 2.7Å |
| 213 | Y | 90.7 | Very high | 84.2 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 174.8 | -76.8 | -76 | 0 | 0 | 0 | 113.1 | L208 T209 S210 K215 L216 E217 V261 H264 Y266 | L208-Y213 HydrophobicContact CB-CD2 4.44Å; L208-Y213 HydrophobicContact CB-CE2 3.89Å; T209-Y213 WeakPolarHBondContact O-CD2 3.43Å; T209-Y213 PolarHBondContact O-N 3.1Å; T209-Y213 VanDerWaalsContact O-N 3.14Å; S210-Y213 PolarHBondContact O-N 3.4Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 3.01Å; Y213-L216 PolarHBondContact O-N 3.48Å; Y213-L216 VanDerWaalsContact O-N 3.17Å; Y213-E217 WeakPolarHBondContact O-CB 3.3Å; Y213-E217 PolarHBondContact O-N 3.4Å; Y213-V261 HydrophobicContact CD1-CG1 4.12Å; Y213-V261 WeakPolarHBondContact CD1-O 3.5Å; Y213-H264 AromaticContact CD1-CD2 3.63Å; Y213-H264 AromaticContact CD2-CD2 3.9Å; Y213-H264 AromaticContact CD2-NE2 3.97Å; Y213-H264 HydrophobicContact CE1-CB 4.01Å; Y213-H264 AromaticContact CE1-CD2 3.84Å; Y213-H264 HydrophobicContact CE2-CB 4.23Å; Y213-H264 AromaticContact CE2-CG 3.97Å; Y213-H264 AromaticContact CG-CD2 3.64Å; Y213-H264 AromaticContact CG-NE2 3.82Å; Y213-H264 AromaticContact CZ-CG 3.86Å; Y213-H264 WeakPolarHBondContact OH-CA 3.39Å; Y213-H264 PolarHBondContact OH-O 2.97Å; Y213-Y266 PolarHBondContact OH-O 3.4Å |
| 214 | G | 91.2 | Very high | 85.7 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -32.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S210 D212 N218 | S210-G214 PolarHBondContact O-N 3.2Å; D212-G214 VanDerWaalsContact C-N 3.34Å; D212-G214 PolarHBondContact O-N 3.24Å; G214-N218 PolarHBondContact O-N 3.11Å; G214-N218 PolarHBondContact O-ND2 3.28Å |
| 215 | K | 91.7 | Very high | 87.3 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 35% | 0.352 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74 | -39.1 | 173.5 | -63.6 | 175.1 | -176.9 | 173.2 | 0 | 112 | A211 D212 Y213 L219 I311 | A211-K215 PolarHBondContact O-N 2.74Å; D212-K215 WeakPolarHBondContact O-CA 3.27Å; D212-K215 WeakPolarHBondContact O-CB 3.33Å; D212-K215 PolarHBondContact O-N 3.36Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 3.01Å; K215-L219 WeakPolarHBondContact O-CB 3.4Å; K215-L219 PolarHBondContact O-N 3.43Å; K215-I311 HydrophobicContact CB-CD1 3.81Å; K215-I311 HydrophobicContact CB-CG1 3.96Å; K215-I311 HydrophobicContact CB-CG2 4.25Å; K215-I311 HydrophobicContact CD-CG1 4.35Å; K215-I311 HydrophobicContact CD-CG2 4.04Å |
| 216 | L | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.8 | -67.6 | -178 | 0 | 0 | 0 | 111.6 | L208 D212 Y213 L219 V220 V261 L269 F272 I311 | L208-L216 HydrophobicContact CD1-CD1 3.72Å; L208-L216 HydrophobicContact CD2-CD1 3.86Å; L208-L216 HydrophobicContact CG-CD1 4.45Å; D212-L216 WeakPolarHBondContact O-CG 3.31Å; D212-L216 PolarHBondContact O-N 2.7Å; Y213-L216 PolarHBondContact O-N 3.48Å; Y213-L216 VanDerWaalsContact O-N 3.17Å; L216-L219 PolarHBondContact O-N 3.01Å; L216-V220 WeakPolarHBondContact O-CG2 3.31Å; L216-V220 PolarHBondContact O-N 3Å; L216-V261 HydrophobicContact CB-CG1 3.8Å; L216-V261 HydrophobicContact CB-CG2 4.36Å; L216-L269 HydrophobicContact CD1-CD2 4.45Å; L216-L269 HydrophobicContact CD2-CD2 3.83Å; L216-F272 HydrophobicContact CD1-CG 4.34Å; L216-F272 HydrophobicContact CD2-CD1 3.69Å; L216-F272 HydrophobicContact CD2-CE1 3.54Å; L216-F272 HydrophobicContact CD2-CG 4.3Å; L216-F272 HydrophobicContact CD2-CZ 4.07Å; L216-I311 HydrophobicContact CD2-CD1 4.05Å |
| 217 | E | 93.1 | Very high | 89.7 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.9 | -56.5 | 174.1 | 179.3 | -179.4 | -172.2 | 0 | 0 | 110.9 | Y213 L219 V220 V221 L258 V261 M262 | Y213-E217 WeakPolarHBondContact O-CB 3.3Å; Y213-E217 PolarHBondContact O-N 3.4Å; E217-L219 PolarHBondContact O-N 3.43Å; E217-V220 PolarHBondContact O-N 3.06Å; E217-V220 VanDerWaalsContact O-N 3.07Å; E217-V221 HydrophobicContact CG-CG2 4.38Å; E217-V221 WeakPolarHBondContact O-CG2 3.48Å; E217-V221 PolarHBondContact O-N 3.31Å; E217-L258 HydrophobicContact CG-CD1 4.21Å; E217-V261 HydrophobicContact CB-CG1 4.38Å; E217-M262 HydrophobicContact CB-CE 3.48Å; E217-M262 VanDerWaalsContact CB-CE 3.48Å; E217-M262 HydrophobicContact CG-CE 3.36Å; E217-M262 HydrophobicContact CG-SD 4.27Å; E217-M262 WeakPolarHBondContact OE2-CE 3.43Å |
| 218 | N | 93.4 | Very high | 90.3 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 178.5 | -75.1 | -50.2 | 0 | 0 | 0 | 111.6 | G214 V221 D222 | G214-N218 PolarHBondContact O-N 3.11Å; G214-N218 PolarHBondContact O-ND2 3.28Å; N218-V221 PolarHBondContact O-N 3Å; N218-D222 WeakPolarHBondContact O-CB 3.47Å; N218-D222 PolarHBondContact O-N 2.99Å |
| 219 | L | 93.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 176 | 174.8 | 163 | 0 | 0 | 0 | 111.7 | K215 L216 E217 D222 L223 F272 F304 K307 L308 I311 | K215-L219 WeakPolarHBondContact O-CB 3.4Å; K215-L219 PolarHBondContact O-N 3.43Å; L216-L219 PolarHBondContact O-N 3.01Å; E217-L219 PolarHBondContact O-N 3.43Å; L219-D222 PolarHBondContact O-N 2.96Å; L219-L223 HydrophobicContact CD2-CD1 3.79Å; L219-L223 HydrophobicContact CD2-CG 4.44Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.44Å; L219-L223 VanDerWaalsContact O-N 3.1Å; L219-F272 HydrophobicContact CD2-CE1 4.33Å; L219-F272 HydrophobicContact CD2-CZ 3.95Å; L219-F304 HydrophobicContact CD1-CD2 4.46Å; L219-F304 HydrophobicContact CD2-CD2 3.8Å; L219-F304 HydrophobicContact CD2-CE2 4.05Å; L219-K307 HydrophobicContact CD1-CB 3.73Å; L219-K307 HydrophobicContact CG-CB 3.92Å; L219-K307 HydrophobicContact CG-CD 4.42Å; L219-L308 HydrophobicContact CD1-CB 4.33Å; L219-L308 HydrophobicContact CD1-CD1 4.34Å; L219-I311 HydrophobicContact CB-CD1 4.1Å; L219-I311 HydrophobicContact CD1-CD1 3.53Å; L219-I311 HydrophobicContact CG-CD1 4.47Å |
| 220 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -38.6 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | L216 E217 L223 L224 I257 L258 V261 F272 | L216-V220 WeakPolarHBondContact O-CG2 3.31Å; L216-V220 PolarHBondContact O-N 3Å; E217-V220 PolarHBondContact O-N 3.06Å; E217-V220 VanDerWaalsContact O-N 3.07Å; V220-L223 PolarHBondContact O-N 2.89Å; V220-L224 HydrophobicContact CG1-CD1 4.22Å; V220-L224 WeakPolarHBondContact O-CB 3.48Å; V220-L224 WeakPolarHBondContact O-CG 3.37Å; V220-L224 PolarHBondContact O-N 3.37Å; V220-I257 HydrophobicContact CG2-CG2 4.15Å; V220-L258 HydrophobicContact CB-CD1 4.16Å; V220-L258 HydrophobicContact CG1-CB 3.79Å; V220-L258 HydrophobicContact CG1-CD1 4.11Å; V220-L258 HydrophobicContact CG1-CG 4.47Å; V220-V261 HydrophobicContact CG2-CG2 4.44Å; V220-F272 HydrophobicContact CG2-CE2 3.81Å; V220-F272 HydrophobicContact CG2-CZ 3.8Å |
| 221 | V | 93.2 | Very high | 91.1 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | E217 N218 L223 L224 D225 L258 | E217-V221 HydrophobicContact CG-CG2 4.38Å; E217-V221 WeakPolarHBondContact O-CG2 3.48Å; E217-V221 PolarHBondContact O-N 3.31Å; N218-V221 PolarHBondContact O-N 3Å; V221-L223 VanDerWaalsContact C-N 3.29Å; V221-L223 PolarHBondContact O-N 3.43Å; V221-L224 CarbonylContact O-C 3.48Å; V221-L224 WeakPolarHBondContact O-CB 3.24Å; V221-L224 PolarHBondContact O-N 3.26Å; V221-L224 VanDerWaalsContact O-N 3.09Å; V221-D225 PolarHBondContact O-N 3.24Å; V221-L258 HydrophobicContact CG2-CD1 4.1Å; V221-L258 HydrophobicContact CG2-CD2 4.4Å |
| 222 | D | 93 | Very high | 91.2 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -39.3 | 176.2 | -72.8 | -17 | 0 | 0 | 0 | 112 | N218 L219 D225 H226 K307 | N218-D222 WeakPolarHBondContact O-CB 3.47Å; N218-D222 PolarHBondContact O-N 2.99Å; L219-D222 PolarHBondContact O-N 2.96Å; D222-D225 PolarHBondContact O-N 3.26Å; D222-H226 PolarHBondContact O-N 2.84Å; D222-K307 HydrophobicContact CB-CD 4.18Å; D222-K307 WeakPolarHBondContact OD2-CE 3.39Å; D222-K307 IonicContact OD2-NZ 3.08Å; D222-K307 PolarHBondContact OD2-NZ 2.98Å |
| 223 | L | 92.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 174.7 | -65.1 | 176.5 | 0 | 0 | 0 | 111.5 | L219 V220 V221 H226 S229 L254 M276 I300 L303 F304 | L219-L223 HydrophobicContact CD2-CD1 3.79Å; L219-L223 HydrophobicContact CD2-CG 4.44Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.44Å; L219-L223 VanDerWaalsContact O-N 3.1Å; V220-L223 PolarHBondContact O-N 2.89Å; V221-L223 VanDerWaalsContact C-N 3.29Å; V221-L223 PolarHBondContact O-N 3.43Å; L223-H226 PolarHBondContact O-N 3.32Å; L223-S229 WeakPolarHBondContact O-CB 3.34Å; L223-S229 PolarHBondContact O-OG 2.92Å; L223-L254 HydrophobicContact CB-CD1 4.23Å; L223-M276 HydrophobicContact CD1-CE 3.41Å; L223-M276 VanDerWaalsContact CD1-CE 3.41Å; L223-I300 HydrophobicContact CB-CG2 4.35Å; L223-I300 HydrophobicContact CD1-CG2 4.5Å; L223-I300 HydrophobicContact CD2-CG2 3.95Å; L223-I300 HydrophobicContact CG-CG2 4.48Å; L223-L303 HydrophobicContact CD2-CB 3.93Å; L223-F304 HydrophobicContact CD1-CB 3.9Å; L223-F304 HydrophobicContact CD1-CD2 3.93Å; L223-F304 HydrophobicContact CD1-CG 4.38Å; L223-F304 HydrophobicContact CD2-CB 4.31Å |
| 224 | L | 91.4 | Very high | 89.2 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 175.7 | -81.8 | 168.8 | 0 | 0 | 0 | 111.8 | V220 V221 H226 S229 R233 L254 R255 L258 | V220-L224 HydrophobicContact CG1-CD1 4.22Å; V220-L224 WeakPolarHBondContact O-CB 3.48Å; V220-L224 WeakPolarHBondContact O-CG 3.37Å; V220-L224 PolarHBondContact O-N 3.37Å; V221-L224 CarbonylContact O-C 3.48Å; V221-L224 WeakPolarHBondContact O-CB 3.24Å; V221-L224 PolarHBondContact O-N 3.26Å; V221-L224 VanDerWaalsContact O-N 3.09Å; L224-H226 VanDerWaalsContact C-N 3.34Å; L224-S229 PolarHBondContact O-OG 3.4Å; L224-R233 HydrophobicContact CD2-CG 4.39Å; L224-R233 PolarHBondContact O-NE 2.85Å; L224-R233 VanDerWaalsContact O-NE 3.17Å; L224-R233 PolarHBondContact O-NH2 3.33Å; L224-L254 HydrophobicContact CD2-CB 3.52Å; L224-L254 HydrophobicContact CD2-CD1 4.15Å; L224-L254 HydrophobicContact CG-CB 3.96Å; L224-L254 HydrophobicContact CG-CD1 4.37Å; L224-R255 HydrophobicContact CD2-CG 4.38Å; L224-L258 HydrophobicContact CD1-CD2 3.87Å |
| 225 | D | 91.6 | Very high | 87.2 | Confident | 129 Ų | 129 | 57.4 Ų | 57.4 | 69% | 0.69 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -74.4 | -25.4 | 180 | -167.4 | 52.4 | 0 | 0 | 0 | 112.9 | V221 D222 K227 R233 | V221-D225 PolarHBondContact O-N 3.24Å; D222-D225 PolarHBondContact O-N 3.26Å; D225-K227 PolarHBondContact O-N 3.09Å; D225-R233 PolarHBondContact O-NH2 3.39Å |
| 226 | H | 92.8 | Very high | 84.7 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -55.2 | 137.7 | -177.6 | -170.6 | -97.8 | 0 | 0 | 0 | 113.3 | D222 L223 L224 M228 S229 R233 I300 L303 | D222-H226 PolarHBondContact O-N 2.84Å; L223-H226 PolarHBondContact O-N 3.32Å; L224-H226 VanDerWaalsContact C-N 3.34Å; H226-M228 PolarHBondContact ND1-N 3.3Å; H226-M228 VanDerWaalsContact ND1-N 3.19Å; H226-M228 PolarHBondContact O-N 3.45Å; H226-S229 VanDerWaalsContact O-CB 3.23Å; H226-S229 WeakPolarHBondContact O-CB 3.5Å; H226-S229 PolarHBondContact O-N 3.27Å; H226-S229 PolarHBondContact O-OG 3.15Å; H226-R233 PolarHBondContact O-NH2 2.88Å; H226-I300 HydrophobicContact CB-CD1 3.87Å; H226-I300 WeakPolarHBondContact ND1-CD1 3.42Å; H226-L303 WeakPolarHBondContact NE2-CD1 3.4Å |
| 227 | K | 91.6 | Very high | 82 | Confident | 158 Ų | 158 | 62.6 Ų | 62.6 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.4 | -176.5 | 62.8 | 177.7 | -178.5 | -176.3 | 0 | 115 | D225 | D225-K227 PolarHBondContact O-N 3.09Š|
| 228 | M | 89.4 | Confident | 79.5 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 30% | 0.3 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 8.7 | 179.3 | -62 | -62.4 | 114.2 | 0 | 0 | 113.3 | H226 W230 P231 C296 V299 I300 | H226-M228 PolarHBondContact ND1-N 3.3Å; H226-M228 VanDerWaalsContact ND1-N 3.19Å; H226-M228 PolarHBondContact O-N 3.45Å; M228-W230 VanDerWaalsContact C-N 3.31Å; M228-P231 WeakPolarHBondContact O-CD 3.42Å; M228-C296 HydrophobicContact CB-CB 4.25Å; M228-C296 WeakPolarHBondContact O-CB 3.42Å; M228-V299 HydrophobicContact CB-CG1 4.42Å; M228-V299 HydrophobicContact CG-CG1 4.35Å; M228-I300 HydrophobicContact CB-CD1 4.19Å; M228-I300 HydrophobicContact CB-CG1 4.48Å |
| 229 | S | 90.9 | Very high | 76.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -85.2 | -5.5 | -176.1 | 76.2 | 0 | 0 | 0 | 0 | 113.9 | L223 L224 H226 P231 F232 R233 | L223-S229 WeakPolarHBondContact O-CB 3.34Å; L223-S229 PolarHBondContact O-OG 2.92Å; L224-S229 PolarHBondContact O-OG 3.4Å; H226-S229 VanDerWaalsContact O-CB 3.23Å; H226-S229 WeakPolarHBondContact O-CB 3.5Å; H226-S229 PolarHBondContact O-N 3.27Å; H226-S229 PolarHBondContact O-OG 3.15Å; S229-P231 VanDerWaalsContact C-N 3.3Å; S229-P231 WeakPolarHBondContact O-CD 3.4Å; S229-P231 VanDerWaalsContact O-N 3.15Å; S229-F232 WeakPolarHBondContact O-CA 3.37Å; S229-F232 WeakPolarHBondContact O-CB 3.19Å; S229-F232 WeakPolarHBondContact O-CD2 3.03Å; S229-F232 PolarHBondContact O-N 3.11Å; S229-R233 PolarHBondContact O-N 2.9Å; S229-R233 PolarHBondContact OG-NE 3.17Å; S229-R233 PolarHBondContact OG-NH2 3.46Å; S229-R233 VanDerWaalsContact OG-NH2 3.07Å | ||
| 230 | W | 87 | Confident | 74.5 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 44% | 0.443 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -50.9 | -35.1 | -176.2 | 64 | -90.2 | 0 | 0 | 0 | 115 | M228 F232 R233 E293 C296 | M228-W230 VanDerWaalsContact C-N 3.31Å; W230-F232 PolarHBondContact O-N 3.45Å; W230-F232 VanDerWaalsContact O-N 3.15Å; W230-R233 PolarHBondContact O-N 2.8Å; W230-E293 HydrophobicContact CH2-CG 3.4Å; W230-E293 VanDerWaalsContact CH2-CG 3.4Å; W230-E293 WeakPolarHBondContact CH2-OE1 3.46Å; W230-E293 HydrophobicContact CZ2-CG 4.1Å; W230-E293 HydrophobicContact CZ3-CG 3.86Å; W230-C296 PolarHBondContact NE1-SG 2.9Å |
| 231 | P | 87.5 | Confident | 71.8 | Confident | 18 Ų | 18 | 74 Ų | 74 | 12% | 0.117 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -66.6 | -17.5 | 176.8 | -18.9 | 34.5 | 0 | 0 | 0 | 113.3 | M228 S229 V283 E293 C296 | M228-P231 WeakPolarHBondContact O-CD 3.42Å; S229-P231 VanDerWaalsContact C-N 3.3Å; S229-P231 WeakPolarHBondContact O-CD 3.4Å; S229-P231 VanDerWaalsContact O-N 3.15Å; P231-V283 HydrophobicContact CB-CG1 4.15Å; P231-V283 HydrophobicContact CB-CG2 4.43Å; P231-E293 HydrophobicContact CB-CB 4.28Å; P231-E293 HydrophobicContact CB-CG 4.21Å; P231-E293 HydrophobicContact CG-CB 4.19Å; P231-E293 HydrophobicContact CG-CG 4.1Å; P231-C296 HydrophobicContact CG-CB 3.76Å |
| 232 | F | 86.7 | Confident | 69.6 | Low | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.018 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -102.8 | -8.3 | -174.8 | -53.3 | -72.7 | 0 | 0 | 0 | 114.3 | S229 W230 G234 L254 V279 F280 V283 A297 I300 | S229-F232 WeakPolarHBondContact O-CA 3.37Å; S229-F232 WeakPolarHBondContact O-CB 3.19Å; S229-F232 WeakPolarHBondContact O-CD2 3.03Å; S229-F232 PolarHBondContact O-N 3.11Å; W230-F232 PolarHBondContact O-N 3.45Å; W230-F232 VanDerWaalsContact O-N 3.15Å; F232-G234 PolarHBondContact O-N 3.45Å; F232-L254 HydrophobicContact CB-CB 4.3Å; F232-L254 HydrophobicContact CB-CD1 3.58Å; F232-L254 HydrophobicContact CB-CG 3.7Å; F232-L254 HydrophobicContact CD2-CD1 4.4Å; F232-L254 HydrophobicContact CG-CD1 4.1Å; F232-L254 HydrophobicContact CG-CG 4.32Å; F232-L254 PolarHBondContact O-N 3.41Å; F232-V279 HydrophobicContact CD1-CG1 3.41Å; F232-V279 VanDerWaalsContact CD1-CG1 3.41Å; F232-V279 HydrophobicContact CE1-CG1 3.98Å; F232-V279 HydrophobicContact CG-CG1 4.3Å; F232-F280 AromaticContact CE1-CD1 3.82Å; F232-F280 HydrophobicContact CE1-CD1 3.82Å; F232-F280 HydrophobicContact CE1-CE1 4.44Å; F232-F280 AromaticContact CZ-CD1 3.91Å; F232-F280 HydrophobicContact CZ-CD1 3.91Å; F232-F280 HydrophobicContact CZ-CE1 4.44Å; F232-V283 HydrophobicContact CD1-CG2 3.6Å; F232-V283 HydrophobicContact CE1-CB 3.76Å; F232-V283 HydrophobicContact CE1-CG1 4.29Å; F232-V283 HydrophobicContact CE1-CG2 3.23Å; F232-V283 HydrophobicContact CZ-CB 4.19Å; F232-V283 HydrophobicContact CZ-CG1 4.27Å; F232-V283 HydrophobicContact CZ-CG2 3.99Å; F232-A297 HydrophobicContact CE1-CB 4.49Å; F232-A297 HydrophobicContact CZ-CB 3.73Å; F232-I300 HydrophobicContact CD2-CG1 4.17Å; F232-I300 HydrophobicContact CE2-CB 4.01Å; F232-I300 HydrophobicContact CE2-CG1 3.75Å; F232-I300 HydrophobicContact CE2-CG2 4.38Å |
| 233 | R | 75.4 | Confident | 67.3 | Low | 91 Ų | 91 | 78.4 Ų | 78.4 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -74.7 | -6.6 | -171.4 | -68 | -174.6 | -173.6 | -156.8 | 2.5 | 114.2 | L224 D225 H226 S229 W230 R255 | L224-R233 HydrophobicContact CD2-CG 4.39Å; L224-R233 PolarHBondContact O-NE 2.85Å; L224-R233 VanDerWaalsContact O-NE 3.17Å; L224-R233 PolarHBondContact O-NH2 3.33Å; D225-R233 PolarHBondContact O-NH2 3.39Å; H226-R233 PolarHBondContact O-NH2 2.88Å; S229-R233 PolarHBondContact O-N 2.9Å; S229-R233 PolarHBondContact OG-NE 3.17Å; S229-R233 PolarHBondContact OG-NH2 3.46Å; S229-R233 VanDerWaalsContact OG-NH2 3.07Å; W230-R233 PolarHBondContact O-N 2.8Å; R233-R255 WeakPolarHBondContact O-CD 3.37Å; R233-R255 PolarHBondContact O-NE 2.85Å |
| 234 | G | 61.6 | Low | 65.1 | Low | 49 Ų | 49 | 83.9 Ų | 83.9 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | trans | 67.9 | 140.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F232 S236 | F232-G234 PolarHBondContact O-N 3.45Å; G234-S236 VanDerWaalsContact C-N 3.26Å; G234-S236 PolarHBondContact O-N 3.38Å | ||
| 235 | T | 47.8 | Very low | 62.8 | Low | 111 Ų | 111 | 89.4 Ų | 89.4 | 68% | 0.681 | 52% | 0.52 | S | S | * | . | trans | -68.9 | 80.5 | -177.8 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | S237 | T235-S237 VanDerWaalsContact C-N 3.3Å; T235-S237 PolarHBondContact O-N 3.42Å | ||
| 236 | S | 39.6 | Very low | 60.8 | Low | 86 Ų | 86 | 92.1 Ų | 92.1 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | trans | -94.2 | 56.9 | 167.5 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | G234 | G234-S236 VanDerWaalsContact C-N 3.26Å; G234-S236 PolarHBondContact O-N 3.38Å | ||
| 237 | S | 36.6 | Very low | 58.4 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 176.2 | 94.6 | 163.4 | 21.1 | 0 | 0 | 0 | 0 | 111.5 | T235 D239 | T235-S237 VanDerWaalsContact C-N 3.3Å; T235-S237 PolarHBondContact O-N 3.42Å; S237-D239 VanDerWaalsContact C-N 3.26Å; S237-D239 PolarHBondContact O-N 2.89Å |
| 238 | G | 40.9 | Very low | 56.6 | Low | 88 Ų | 88 | 96.7 Ų | 96.7 | 91% | 0.907 | 56% | 0.555 | S | S | * | * | 51.3 | -8.7 | 129.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 239 | D | 38.1 | Very low | 54.9 | Low | 153 Ų | 153 | 100.2 Ų | 100.2 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | trans | -107.9 | 90.4 | -178.2 | -152.6 | -2 | 0 | 0 | 0 | 110.5 | S237 S241 | S237-D239 VanDerWaalsContact C-N 3.26Å; S237-D239 PolarHBondContact O-N 2.89Å; D239-S241 VanDerWaalsContact C-N 3.34Å; D239-S241 PolarHBondContact O-N 3.02Å | ||
| 240 | V | 43 | Very low | 53.4 | Low | 109 Ų | 109 | 104.8 Ų | 104.8 | 66% | 0.661 | 61% | 0.607 | S | S | * | * | trans | -74.4 | 89.3 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 108 | P242 | V240-P242 WeakPolarHBondContact O-CD 3.46Š| ||
| 241 | S | 38 | Very low | 52.2 | Low | 67 Ų | 67 | 100.8 Ų | 100.8 | 47% | 0.469 | 60% | 0.595 | S | S | . | * | trans | -61.2 | 125.2 | 161.8 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | D239 S243 Y244 | D239-S241 VanDerWaalsContact C-N 3.34Å; D239-S241 PolarHBondContact O-N 3.02Å; S241-S243 PolarHBondContact O-N 3.18Å; S241-Y244 WeakPolarHBondContact O-CB 3.42Å; S241-Y244 PolarHBondContact O-N 3.47Å; S241-Y244 VanDerWaalsContact O-N 3.1Å | ||
| 242 | P | 46.5 | Very low | 51.5 | Low | 124 Ų | 124 | 101.5 Ų | 101.5 | 81% | 0.805 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -61.5 | -8.5 | -173.5 | -23 | 32.2 | 0 | 0 | 0 | 115.4 | V240 Y244 | V240-P242 WeakPolarHBondContact O-CD 3.46Å; P242-Y244 VanDerWaalsContact C-N 3.31Å |
| 243 | S | 44.2 | Very low | 51.3 | Low | 105 Ų | 105 | 102.2 Ų | 102.2 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -81.4 | -6.3 | 176.2 | 69.2 | 0 | 0 | 0 | 0 | 114 | S241 N245 | S241-S243 PolarHBondContact O-N 3.18Å; S243-N245 VanDerWaalsContact C-N 3.34Å; S243-N245 PolarHBondContact O-N 2.91Å |
| 244 | Y | 47.7 | Very low | 52 | Low | 115 Ų | 115 | 97.9 Ų | 97.9 | 45% | 0.451 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -83.1 | -1.3 | -170.9 | -147.9 | -97.8 | 0 | 0 | 0 | 115.2 | S241 P242 R286 | S241-Y244 WeakPolarHBondContact O-CB 3.42Å; S241-Y244 PolarHBondContact O-N 3.47Å; S241-Y244 VanDerWaalsContact O-N 3.1Å; P242-Y244 VanDerWaalsContact C-N 3.31Å; Y244-R286 PolarHBondContact OH-NH1 3.2Å; Y244-R286 VanDerWaalsContact OH-NH1 3.16Å |
| 245 | N | 42.4 | Very low | 53.3 | Low | 139 Ų | 139 | 101.7 Ų | 101.7 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | trans | -110.4 | 33.7 | -166.7 | -104.1 | -12.2 | 0 | 0 | 0 | 115.8 | S243 | S243-N245 VanDerWaalsContact C-N 3.34Å; S243-N245 PolarHBondContact O-N 2.91Å | ||
| 246 | K | 50 | Low | 55.3 | Low | 187 Ų | 187 | 100.2 Ų | 100.2 | 81% | 0.813 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -135.5 | 106.5 | 167.8 | -68.9 | -174.5 | -175.9 | -177.9 | 0 | 111.3 | ||
| 247 | L | 42.6 | Very low | 57.7 | Low | 167 Ų | 167 | 96.2 Ų | 96.2 | 87% | 0.874 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 91.3 | 109.8 | 156 | -59.6 | 140.4 | 0 | 0 | 0 | 118.4 | ||
| 248 | Q | 52.1 | Low | 60.4 | Low | 136 Ų | 136 | 92.9 Ų | 92.9 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | trans | 66.6 | 116.9 | 163.4 | -81.1 | 178.6 | -92.6 | 0 | 0 | 121.5 | D250 | Q248-D250 PolarHBondContact NE2-OD2 3.19Å; Q248-D250 PolarHBondContact O-N 3.41Å | ||
| 249 | P | 54.9 | Low | 62.8 | Low | 135 Ų | 135 | 92.9 Ų | 92.9 | 88% | 0.877 | 51% | 0.507 | S | S | * | . | trans | -89.1 | 23.9 | 177.5 | 36.3 | -33.8 | 0 | 0 | 0 | 114.8 | ||||
| 250 | D | 58.1 | Low | 65.3 | Low | 96 Ų | 96 | 86 Ų | 86 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | trans | -99 | 7 | -161.4 | 64.7 | -13.8 | 0 | 0 | 0 | 116.1 | Q248 P252 | Q248-D250 PolarHBondContact NE2-OD2 3.19Å; Q248-D250 PolarHBondContact O-N 3.41Å; D250-P252 WeakPolarHBondContact O-CD 3.5Å | ||
| 251 | T | 62.8 | Low | 67.6 | Low | 32 Ų | 32 | 80.9 Ų | 80.9 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 117.8 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 252 | P | 71.7 | Confident | 70.2 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 21% | 0.214 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 140.2 | 174.3 | 24.2 | -30.4 | 0 | 0 | 0 | 110.4 | D250 T256 I257 K278 V279 | D250-P252 WeakPolarHBondContact O-CD 3.5Å; P252-T256 HydrophobicContact CB-CG2 4.12Å; P252-I257 HydrophobicContact CB-CD1 4.38Å; P252-K278 HydrophobicContact CG-CB 4.41Å; P252-V279 HydrophobicContact CG-CG2 4.14Å; P252-V279 WeakPolarHBondContact O-CG2 3.49Å |
| 253 | G | 84.2 | Confident | 72.3 | Confident | 19 Ų | 19 | 82.6 Ų | 82.6 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 167.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | R255 T256 I257 | G253-R255 PolarHBondContact O-N 3.12Å; G253-T256 WeakPolarHBondContact O-CB 3.42Å; G253-T256 PolarHBondContact O-N 3.35Å; G253-I257 PolarHBondContact O-N 3.12Å |
| 254 | L | 89.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.1 | -28.6 | 174.4 | -78.1 | 176 | 0 | 0 | 0 | 112.4 | L223 L224 F232 I257 L258 M276 V279 | L223-L254 HydrophobicContact CB-CD1 4.23Å; L224-L254 HydrophobicContact CD2-CB 3.52Å; L224-L254 HydrophobicContact CD2-CD1 4.15Å; L224-L254 HydrophobicContact CG-CB 3.96Å; L224-L254 HydrophobicContact CG-CD1 4.37Å; F232-L254 HydrophobicContact CB-CB 4.3Å; F232-L254 HydrophobicContact CB-CD1 3.58Å; F232-L254 HydrophobicContact CB-CG 3.7Å; F232-L254 HydrophobicContact CD2-CD1 4.4Å; F232-L254 HydrophobicContact CG-CD1 4.1Å; F232-L254 HydrophobicContact CG-CG 4.32Å; F232-L254 PolarHBondContact O-N 3.41Å; L254-I257 PolarHBondContact O-N 3.45Å; L254-L258 PolarHBondContact O-N 2.99Å; L254-M276 HydrophobicContact CD2-CE 3.66Å; L254-M276 HydrophobicContact CD2-SD 3.75Å; L254-V279 HydrophobicContact CD2-CG1 4.33Å; L254-V279 HydrophobicContact CG-CG1 4.28Å |
| 255 | R | 88.4 | Confident | 76.3 | Confident | 129 Ų | 129 | 80.7 Ų | 80.7 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 173.2 | -66.2 | -177.1 | -177.3 | -88.5 | 3.9 | 112.2 | L224 R233 G253 I257 L258 D259 | L224-R255 HydrophobicContact CD2-CG 4.38Å; R233-R255 WeakPolarHBondContact O-CD 3.37Å; R233-R255 PolarHBondContact O-NE 2.85Å; G253-R255 PolarHBondContact O-N 3.12Å; R255-I257 VanDerWaalsContact C-N 3.28Å; R255-I257 PolarHBondContact O-N 3.41Å; R255-L258 WeakPolarHBondContact O-CB 3.49Å; R255-L258 PolarHBondContact O-N 3.49Å; R255-L258 VanDerWaalsContact O-N 3.16Å; R255-D259 VanDerWaalsContact O-CG 3.29Å; R255-D259 PolarHBondContact O-N 3.4Å |
| 256 | T | 89.6 | Confident | 78.4 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 175.8 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | P252 G253 D259 G260 | P252-T256 HydrophobicContact CB-CG2 4.12Å; G253-T256 WeakPolarHBondContact O-CB 3.42Å; G253-T256 PolarHBondContact O-N 3.35Å; T256-D259 PolarHBondContact O-N 3.24Å; T256-G260 PolarHBondContact O-N 3.29Å |
| 257 | I | 90.4 | Very high | 79.9 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 174.1 | -57.2 | -57.8 | 0 | 0 | 0 | 110.8 | V220 P252 G253 L254 R255 D259 G260 V261 Y266 F272 D275 M276 V279 | V220-I257 HydrophobicContact CG2-CG2 4.15Å; P252-I257 HydrophobicContact CB-CD1 4.38Å; G253-I257 PolarHBondContact O-N 3.12Å; L254-I257 PolarHBondContact O-N 3.45Å; R255-I257 VanDerWaalsContact C-N 3.28Å; R255-I257 PolarHBondContact O-N 3.41Å; I257-D259 VanDerWaalsContact C-N 3.33Å; I257-D259 PolarHBondContact O-N 3.32Å; I257-G260 PolarHBondContact O-N 3.19Å; I257-G260 VanDerWaalsContact O-N 3.15Å; I257-V261 HydrophobicContact CG2-CG2 4.44Å; I257-V261 WeakPolarHBondContact O-CG2 3.39Å; I257-V261 PolarHBondContact O-N 3.2Å; I257-Y266 WeakPolarHBondContact CD1-OH 3.44Å; I257-F272 HydrophobicContact CG2-CD2 4.13Å; I257-F272 HydrophobicContact CG2-CE2 3.61Å; I257-D275 HydrophobicContact CD1-CB 3.66Å; I257-M276 HydrophobicContact CB-SD 4.26Å; I257-M276 HydrophobicContact CG1-SD 4.08Å; I257-M276 HydrophobicContact CG2-CG 4.31Å; I257-M276 HydrophobicContact CG2-SD 3.72Å; I257-V279 HydrophobicContact CD1-CG2 3.99Å; I257-V279 HydrophobicContact CG1-CG2 3.64Å |
| 258 | L | 92.8 | Very high | 81.7 | Confident | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.178 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 177.1 | -176.4 | 61.7 | 0 | 0 | 0 | 111.2 | E217 V220 V221 L224 L254 R255 G260 V261 M262 | E217-L258 HydrophobicContact CG-CD1 4.21Å; V220-L258 HydrophobicContact CB-CD1 4.16Å; V220-L258 HydrophobicContact CG1-CB 3.79Å; V220-L258 HydrophobicContact CG1-CD1 4.11Å; V220-L258 HydrophobicContact CG1-CG 4.47Å; V221-L258 HydrophobicContact CG2-CD1 4.1Å; V221-L258 HydrophobicContact CG2-CD2 4.4Å; L224-L258 HydrophobicContact CD1-CD2 3.87Å; L254-L258 PolarHBondContact O-N 2.99Å; R255-L258 WeakPolarHBondContact O-CB 3.49Å; R255-L258 PolarHBondContact O-N 3.49Å; R255-L258 VanDerWaalsContact O-N 3.16Å; L258-G260 VanDerWaalsContact C-N 3.31Å; L258-G260 PolarHBondContact O-N 3.03Å; L258-V261 WeakPolarHBondContact O-CB 3.36Å; L258-V261 PolarHBondContact O-N 3.2Å; L258-V261 VanDerWaalsContact O-N 3.11Å; L258-M262 WeakPolarHBondContact O-CG 3.44Å; L258-M262 PolarHBondContact O-N 2.92Å |
| 259 | D | 91.3 | Very high | 83.3 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 176.4 | -65.2 | -25.5 | 0 | 0 | 0 | 111.2 | R255 T256 I257 V261 M262 Q263 | R255-D259 VanDerWaalsContact O-CG 3.29Å; R255-D259 PolarHBondContact O-N 3.4Å; T256-D259 PolarHBondContact O-N 3.24Å; I257-D259 VanDerWaalsContact C-N 3.33Å; I257-D259 PolarHBondContact O-N 3.32Å; D259-V261 VanDerWaalsContact C-N 3.34Å; D259-V261 PolarHBondContact O-N 3.05Å; D259-M262 PolarHBondContact O-N 3.3Å; D259-Q263 WeakPolarHBondContact O-CB 3.41Å; D259-Q263 VanDerWaalsContact O-CG 3.25Å; D259-Q263 WeakPolarHBondContact O-CG 3.37Å; D259-Q263 PolarHBondContact O-N 3.11Å |
| 260 | G | 90.9 | Very high | 84.3 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -36.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | T256 I257 L258 Q263 H264 S265 | T256-G260 PolarHBondContact O-N 3.29Å; I257-G260 PolarHBondContact O-N 3.19Å; I257-G260 VanDerWaalsContact O-N 3.15Å; L258-G260 VanDerWaalsContact C-N 3.31Å; L258-G260 PolarHBondContact O-N 3.03Å; G260-Q263 PolarHBondContact O-N 3.29Å; G260-H264 PolarHBondContact O-N 3.27Å; G260-S265 WeakPolarHBondContact O-CB 3.34Å; G260-S265 PolarHBondContact O-N 3.44Å; G260-S265 PolarHBondContact O-OG 3.34Å |
| 261 | V | 92.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | Y213 L216 E217 V220 I257 L258 D259 Q263 H264 Y266 F272 | Y213-V261 HydrophobicContact CD1-CG1 4.12Å; Y213-V261 WeakPolarHBondContact CD1-O 3.5Å; L216-V261 HydrophobicContact CB-CG1 3.8Å; L216-V261 HydrophobicContact CB-CG2 4.36Å; E217-V261 HydrophobicContact CB-CG1 4.38Å; V220-V261 HydrophobicContact CG2-CG2 4.44Å; I257-V261 HydrophobicContact CG2-CG2 4.44Å; I257-V261 WeakPolarHBondContact O-CG2 3.39Å; I257-V261 PolarHBondContact O-N 3.2Å; L258-V261 WeakPolarHBondContact O-CB 3.36Å; L258-V261 PolarHBondContact O-N 3.2Å; L258-V261 VanDerWaalsContact O-N 3.11Å; D259-V261 VanDerWaalsContact C-N 3.34Å; D259-V261 PolarHBondContact O-N 3.05Å; V261-Q263 VanDerWaalsContact C-N 3.31Å; V261-Q263 PolarHBondContact O-N 2.88Å; V261-H264 PolarHBondContact O-CD2 3.16Å; V261-H264 PolarHBondContact O-N 2.95Å; V261-H264 VanDerWaalsContact O-N 3.13Å; V261-Y266 HydrophobicContact CB-CE2 4.5Å; V261-Y266 HydrophobicContact CG2-CD2 3.98Å; V261-Y266 HydrophobicContact CG2-CE2 3.69Å; V261-F272 HydrophobicContact CG2-CD2 3.97Å; V261-F272 HydrophobicContact CG2-CE2 3.77Å |
| 262 | M | 91 | Very high | 86.6 | Confident | 83 Ų | 83 | 49.6 Ų | 49.6 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64 | -33.4 | 177.4 | -66.7 | -63.1 | 92.9 | 0 | 0 | 113.3 | E217 L258 D259 H264 | E217-M262 HydrophobicContact CB-CE 3.48Å; E217-M262 VanDerWaalsContact CB-CE 3.48Å; E217-M262 HydrophobicContact CG-CE 3.36Å; E217-M262 HydrophobicContact CG-SD 4.27Å; E217-M262 WeakPolarHBondContact OE2-CE 3.43Å; L258-M262 WeakPolarHBondContact O-CG 3.44Å; L258-M262 PolarHBondContact O-N 2.92Å; D259-M262 PolarHBondContact O-N 3.3Å; M262-H264 VanDerWaalsContact C-N 3.25Å; M262-H264 PolarHBondContact O-N 3.32Å |
| 263 | Q | 91.1 | Very high | 87.3 | Confident | 144 Ų | 144 | 49.1 Ų | 49.1 | 67% | 0.673 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.4 | 177 | -68.2 | 172.8 | 20.2 | 0 | 0 | 113.4 | D259 G260 V261 S265 | D259-Q263 WeakPolarHBondContact O-CB 3.41Å; D259-Q263 VanDerWaalsContact O-CG 3.25Å; D259-Q263 WeakPolarHBondContact O-CG 3.37Å; D259-Q263 PolarHBondContact O-N 3.11Å; G260-Q263 PolarHBondContact O-N 3.29Å; V261-Q263 VanDerWaalsContact C-N 3.31Å; V261-Q263 PolarHBondContact O-N 2.88Å; Q263-S265 VanDerWaalsContact C-N 3.25Å; Q263-S265 PolarHBondContact O-N 3.07Å |
| 264 | H | 88.4 | Confident | 87.3 | Confident | 108 Ų | 108 | 51.6 Ų | 51.6 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 39.8 | -175 | -63.5 | -179.4 | 0 | 0 | 0 | 113.3 | Y213 G260 V261 M262 Y266 | Y213-H264 AromaticContact CD1-CD2 3.63Å; Y213-H264 AromaticContact CD2-CD2 3.9Å; Y213-H264 AromaticContact CD2-NE2 3.97Å; Y213-H264 HydrophobicContact CE1-CB 4.01Å; Y213-H264 AromaticContact CE1-CD2 3.84Å; Y213-H264 HydrophobicContact CE2-CB 4.23Å; Y213-H264 AromaticContact CE2-CG 3.97Å; Y213-H264 AromaticContact CG-CD2 3.64Å; Y213-H264 AromaticContact CG-NE2 3.82Å; Y213-H264 AromaticContact CZ-CG 3.86Å; Y213-H264 WeakPolarHBondContact OH-CA 3.39Å; Y213-H264 PolarHBondContact OH-O 2.97Å; G260-H264 PolarHBondContact O-N 3.27Å; V261-H264 PolarHBondContact O-CD2 3.16Å; V261-H264 PolarHBondContact O-N 2.95Å; V261-H264 VanDerWaalsContact O-N 3.13Å; M262-H264 VanDerWaalsContact C-N 3.25Å; M262-H264 PolarHBondContact O-N 3.32Å; H264-Y266 VanDerWaalsContact C-N 3.27Å; H264-Y266 PolarHBondContact O-N 3.22Å |
| 265 | S | 88.2 | Confident | 87.1 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 51% | 0.51 | 29% | 0.292 | S | S | . | . | trans | -76.4 | -9.7 | -176.2 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | G260 Q263 | G260-S265 WeakPolarHBondContact O-CB 3.34Å; G260-S265 PolarHBondContact O-N 3.44Å; G260-S265 PolarHBondContact O-OG 3.34Å; Q263-S265 VanDerWaalsContact C-N 3.25Å; Q263-S265 PolarHBondContact O-N 3.07Å | ||
| 266 | Y | 87 | Confident | 87.1 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | trans | -106.1 | 116.6 | -175 | -58 | -73.2 | 0 | 0 | 0 | 111.5 | L208 Y213 I257 V261 H264 D271 F272 D275 | L208-Y266 WeakPolarHBondContact CD1-O 3.34Å; Y213-Y266 PolarHBondContact OH-O 3.4Å; I257-Y266 WeakPolarHBondContact CD1-OH 3.44Å; V261-Y266 HydrophobicContact CB-CE2 4.5Å; V261-Y266 HydrophobicContact CG2-CD2 3.98Å; V261-Y266 HydrophobicContact CG2-CE2 3.69Å; H264-Y266 VanDerWaalsContact C-N 3.27Å; H264-Y266 PolarHBondContact O-N 3.22Å; Y266-D271 HydrophobicContact CD1-CB 4.09Å; Y266-F272 HydrophobicContact CD1-CB 4.01Å; Y266-F272 HydrophobicContact CD2-CB 4.4Å; Y266-F272 HydrophobicContact CD2-CD2 4.15Å; Y266-F272 HydrophobicContact CE1-CB 4.49Å; Y266-F272 HydrophobicContact CE2-CD2 4.01Å; Y266-F272 HydrophobicContact CG-CB 3.95Å; Y266-D275 HydrophobicContact CE1-CB 4.03Å; Y266-D275 WeakPolarHBondContact CE1-OD2 3.3Å | ||
| 267 | C | 81.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 60% | 0.601 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -75.5 | -34.5 | 179.8 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | Q207 L208 D271 | Q207-C267 WeakPolarHBondContact CA-O 3.27Å; L208-C267 PolarHBondContact N-O 3.29Å; C267-D271 PolarHBondContact N-OD2 3.14Å |
| 268 | T | 80.1 | Confident | 86.8 | Confident | 21 Ų | 21 | 50 Ų | 50 | 13% | 0.129 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -133.5 | 161.2 | -175.9 | 68.2 | 0 | 0 | 0 | 0 | 112 | M204 V205 S270 D271 F272 | M204-T268 WeakPolarHBondContact O-CB 3.33Å; V205-T268 WeakPolarHBondContact O-CG2 3.34Å; T268-S270 PolarHBondContact O-N 2.8Å; T268-S270 PolarHBondContact OG1-N 3.49Å; T268-D271 PolarHBondContact N-OD2 3.48Å; T268-D271 PolarHBondContact O-N 3.27Å; T268-D271 PolarHBondContact OG1-N 3.4Å; T268-D271 PolarHBondContact OG1-OD2 3.38Å; T268-F272 PolarHBondContact O-N 2.94Å |
| 269 | L | 84.6 | Confident | 86.5 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -27.1 | 171.7 | -79.8 | 174.7 | 0 | 0 | 0 | 112.4 | M204 L208 L216 A273 L308 I311 K312 | M204-L269 PolarHBondContact O-N 3.43Å; L208-L269 HydrophobicContact CD2-CD2 3.68Å; L208-L269 HydrophobicContact CD2-CG 3.7Å; L216-L269 HydrophobicContact CD1-CD2 4.45Å; L216-L269 HydrophobicContact CD2-CD2 3.83Å; L269-A273 VanDerWaalsContact O-CB 3.31Å; L269-A273 WeakPolarHBondContact O-CB 3.23Å; L269-A273 PolarHBondContact O-N 3.4Å; L269-L308 HydrophobicContact CD2-CD1 4.18Å; L269-I311 HydrophobicContact CD2-CG2 4.46Å; L269-K312 HydrophobicContact CD1-CG 3.9Å |
| 270 | S | 76.5 | Confident | 86.4 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | M204 T268 F272 A273 V274 | M204-S270 VanDerWaalsContact C-OG 3.25Å; M204-S270 WeakPolarHBondContact CB-OG 3.39Å; M204-S270 PolarHBondContact O-N 2.84Å; M204-S270 PolarHBondContact O-OG 3.44Å; T268-S270 PolarHBondContact O-N 2.8Å; T268-S270 PolarHBondContact OG1-N 3.49Å; S270-F272 VanDerWaalsContact C-N 3.31Å; S270-F272 PolarHBondContact O-N 3.2Å; S270-A273 PolarHBondContact O-N 3.17Å; S270-V274 VanDerWaalsContact O-CG2 3.3Å; S270-V274 WeakPolarHBondContact O-CG2 3.44Å; S270-V274 PolarHBondContact O-N 3.21Å |
| 271 | D | 80.5 | Confident | 86.2 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | -178.5 | -55.4 | -40.7 | 0 | 0 | 0 | 110.6 | Y266 C267 T268 V274 D275 | Y266-D271 HydrophobicContact CD1-CB 4.09Å; C267-D271 PolarHBondContact N-OD2 3.14Å; T268-D271 PolarHBondContact N-OD2 3.48Å; T268-D271 PolarHBondContact O-N 3.27Å; T268-D271 PolarHBondContact OG1-N 3.4Å; T268-D271 PolarHBondContact OG1-OD2 3.38Å; D271-V274 PolarHBondContact O-N 3.24Å; D271-D275 PolarHBondContact O-N 3.4Å |
| 272 | F | 88.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.2 | 171.3 | -107.5 | 0 | 0 | 0 | 112.7 | L216 L219 V220 I257 V261 Y266 T268 S270 V274 D275 M276 F304 L308 | L216-F272 HydrophobicContact CD1-CG 4.34Å; L216-F272 HydrophobicContact CD2-CD1 3.69Å; L216-F272 HydrophobicContact CD2-CE1 3.54Å; L216-F272 HydrophobicContact CD2-CG 4.3Å; L216-F272 HydrophobicContact CD2-CZ 4.07Å; L219-F272 HydrophobicContact CD2-CE1 4.33Å; L219-F272 HydrophobicContact CD2-CZ 3.95Å; V220-F272 HydrophobicContact CG2-CE2 3.81Å; V220-F272 HydrophobicContact CG2-CZ 3.8Å; I257-F272 HydrophobicContact CG2-CD2 4.13Å; I257-F272 HydrophobicContact CG2-CE2 3.61Å; V261-F272 HydrophobicContact CG2-CD2 3.97Å; V261-F272 HydrophobicContact CG2-CE2 3.77Å; Y266-F272 HydrophobicContact CD1-CB 4.01Å; Y266-F272 HydrophobicContact CD2-CB 4.4Å; Y266-F272 HydrophobicContact CD2-CD2 4.15Å; Y266-F272 HydrophobicContact CE1-CB 4.49Å; Y266-F272 HydrophobicContact CE2-CD2 4.01Å; Y266-F272 HydrophobicContact CG-CB 3.95Å; T268-F272 PolarHBondContact O-N 2.94Å; S270-F272 VanDerWaalsContact C-N 3.31Å; S270-F272 PolarHBondContact O-N 3.2Å; F272-V274 VanDerWaalsContact C-N 3.33Å; F272-V274 PolarHBondContact O-N 2.88Å; F272-D275 PolarHBondContact O-N 3.29Å; F272-M276 HydrophobicContact CD2-CG 4.38Å; F272-M276 HydrophobicContact CE1-CG 4.17Å; F272-M276 HydrophobicContact CE2-CG 3.91Å; F272-M276 HydrophobicContact CE2-SD 4.4Å; F272-M276 HydrophobicContact CZ-CG 3.79Å; F272-M276 HydrophobicContact CZ-SD 4.34Å; F272-M276 WeakPolarHBondContact O-CG 3.23Å; F272-M276 PolarHBondContact O-N 3.43Å; F272-F304 HydrophobicContact CD1-CE2 4.44Å; F272-F304 AromaticContact CE1-CE2 3.56Å; F272-F304 HydrophobicContact CE1-CE2 3.56Å; F272-F304 HydrophobicContact CE1-CZ 4.08Å; F272-F304 AromaticContact CZ-CE2 3.99Å; F272-F304 HydrophobicContact CZ-CE2 3.99Å; F272-L308 HydrophobicContact CD1-CD1 4.26Å; F272-L308 HydrophobicContact CE1-CD1 4.09Å |
| 273 | A | 87.4 | Confident | 85.6 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -35.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L269 S270 M276 A277 F304 L308 | L269-A273 VanDerWaalsContact O-CB 3.31Å; L269-A273 WeakPolarHBondContact O-CB 3.23Å; L269-A273 PolarHBondContact O-N 3.4Å; S270-A273 PolarHBondContact O-N 3.17Å; A273-M276 PolarHBondContact O-N 2.93Å; A273-A277 WeakPolarHBondContact O-CB 3.46Å; A273-A277 PolarHBondContact O-N 3.2Å; A273-F304 HydrophobicContact CB-CZ 4.46Å; A273-L308 HydrophobicContact CB-CD2 4.37Å |
| 274 | V | 83.4 | Confident | 85.4 | Confident | 70 Ų | 70 | 37.8 Ų | 37.8 | 42% | 0.424 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.5 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | S270 D271 F272 A277 K278 | S270-V274 VanDerWaalsContact O-CG2 3.3Å; S270-V274 WeakPolarHBondContact O-CG2 3.44Å; S270-V274 PolarHBondContact O-N 3.21Å; D271-V274 PolarHBondContact O-N 3.24Å; F272-V274 VanDerWaalsContact C-N 3.33Å; F272-V274 PolarHBondContact O-N 2.88Å; V274-A277 PolarHBondContact O-N 3.3Å; V274-K278 WeakPolarHBondContact O-CG 3.35Å; V274-K278 PolarHBondContact O-N 3.21Å; V274-K278 VanDerWaalsContact O-N 3.12Å |
| 275 | D | 84.8 | Confident | 85.3 | Confident | 44 Ų | 44 | 41.4 Ų | 41.4 | 24% | 0.235 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.4 | -37.4 | 180 | -81.5 | -2.7 | 0 | 0 | 0 | 112.3 | I257 Y266 D271 F272 A277 K278 V279 | I257-D275 HydrophobicContact CD1-CB 3.66Å; Y266-D275 HydrophobicContact CE1-CB 4.03Å; Y266-D275 WeakPolarHBondContact CE1-OD2 3.3Å; D271-D275 PolarHBondContact O-N 3.4Å; F272-D275 PolarHBondContact O-N 3.29Å; D275-A277 VanDerWaalsContact C-N 3.33Å; D275-A277 PolarHBondContact O-N 2.8Å; D275-K278 WeakPolarHBondContact O-CB 3.35Å; D275-K278 PolarHBondContact O-N 3.45Å; D275-K278 VanDerWaalsContact O-N 3.12Å; D275-K278 WeakPolarHBondContact OD1-CE 3.24Å; D275-K278 IonicContact OD1-NZ 3.07Å; D275-K278 PolarHBondContact OD1-NZ 3.36Å; D275-V279 WeakPolarHBondContact O-CG2 3.5Å; D275-V279 PolarHBondContact O-N 3.25Å |
| 276 | M | 90.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -42 | 170.7 | -75.7 | -65.2 | -71.8 | 0 | 0 | 112.6 | L223 L254 I257 F272 A273 K278 V279 F280 F304 | L223-M276 HydrophobicContact CD1-CE 3.41Å; L223-M276 VanDerWaalsContact CD1-CE 3.41Å; L254-M276 HydrophobicContact CD2-CE 3.66Å; L254-M276 HydrophobicContact CD2-SD 3.75Å; I257-M276 HydrophobicContact CB-SD 4.26Å; I257-M276 HydrophobicContact CG1-SD 4.08Å; I257-M276 HydrophobicContact CG2-CG 4.31Å; I257-M276 HydrophobicContact CG2-SD 3.72Å; F272-M276 HydrophobicContact CD2-CG 4.38Å; F272-M276 HydrophobicContact CE1-CG 4.17Å; F272-M276 HydrophobicContact CE2-CG 3.91Å; F272-M276 HydrophobicContact CE2-SD 4.4Å; F272-M276 HydrophobicContact CZ-CG 3.79Å; F272-M276 HydrophobicContact CZ-SD 4.34Å; F272-M276 WeakPolarHBondContact O-CG 3.23Å; F272-M276 PolarHBondContact O-N 3.43Å; A273-M276 PolarHBondContact O-N 2.93Å; M276-K278 VanDerWaalsContact C-N 3.29Å; M276-K278 PolarHBondContact O-N 2.87Å; M276-V279 WeakPolarHBondContact O-CB 3.32Å; M276-V279 PolarHBondContact O-N 3.46Å; M276-V279 VanDerWaalsContact O-N 3.14Å; M276-F280 HydrophobicContact CB-CE2 4.33Å; M276-F280 HydrophobicContact CE-CE1 4.46Å; M276-F280 HydrophobicContact CE-CE2 4.09Å; M276-F280 HydrophobicContact CE-CZ 3.59Å; M276-F280 VanDerWaalsContact O-CD2 3.23Å; M276-F280 WeakPolarHBondContact O-CD2 3.31Å; M276-F280 PolarHBondContact O-N 3.1Å; M276-F304 HydrophobicContact CB-CE1 4.04Å; M276-F304 HydrophobicContact CB-CE2 3.95Å; M276-F304 HydrophobicContact CB-CZ 3.64Å; M276-F304 HydrophobicContact CE-CB 4.49Å; M276-F304 HydrophobicContact CE-CD2 3.45Å; M276-F304 VanDerWaalsContact CE-CD2 3.45Å; M276-F304 HydrophobicContact CE-CE2 3.73Å; M276-F304 HydrophobicContact CE-CG 4Å; M276-F304 HydrophobicContact CG-CD2 4.35Å; M276-F304 HydrophobicContact CG-CE2 3.65Å; M276-F304 HydrophobicContact CG-CZ 3.81Å; M276-F304 HydrophobicContact SD-CE2 4.49Å |
| 277 | A | 87.7 | Confident | 85 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 28% | 0.281 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -34.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A273 V274 D275 V279 F280 N281 | A273-A277 WeakPolarHBondContact O-CB 3.46Å; A273-A277 PolarHBondContact O-N 3.2Å; V274-A277 PolarHBondContact O-N 3.3Å; D275-A277 VanDerWaalsContact C-N 3.33Å; D275-A277 PolarHBondContact O-N 2.8Å; A277-V279 VanDerWaalsContact C-N 3.32Å; A277-V279 PolarHBondContact O-N 2.87Å; A277-F280 PolarHBondContact O-N 2.82Å; A277-N281 VanDerWaalsContact O-CB 3.27Å; A277-N281 WeakPolarHBondContact O-CB 3.37Å; A277-N281 VanDerWaalsContact O-CG 3.3Å; A277-N281 PolarHBondContact O-N 3.35Å; A277-N281 PolarHBondContact O-ND2 3.27Å |
| 278 | K | 85 | Confident | 85.2 | Confident | 102 Ų | 102 | 43.2 Ų | 43.2 | 44% | 0.443 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -40.2 | 173.5 | -66.4 | 172.5 | -171.5 | 161.5 | 0 | 111.4 | P252 V274 D275 M276 G282 | P252-K278 HydrophobicContact CG-CB 4.41Å; V274-K278 WeakPolarHBondContact O-CG 3.35Å; V274-K278 PolarHBondContact O-N 3.21Å; V274-K278 VanDerWaalsContact O-N 3.12Å; D275-K278 WeakPolarHBondContact O-CB 3.35Å; D275-K278 PolarHBondContact O-N 3.45Å; D275-K278 VanDerWaalsContact O-N 3.12Å; D275-K278 WeakPolarHBondContact OD1-CE 3.24Å; D275-K278 IonicContact OD1-NZ 3.07Å; D275-K278 PolarHBondContact OD1-NZ 3.36Å; M276-K278 VanDerWaalsContact C-N 3.29Å; M276-K278 PolarHBondContact O-N 2.87Å; K278-G282 PolarHBondContact O-N 3.38Å |
| 279 | V | 87.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -53.2 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | F232 P252 L254 I257 D275 M276 A277 G282 V283 | F232-V279 HydrophobicContact CD1-CG1 3.41Å; F232-V279 VanDerWaalsContact CD1-CG1 3.41Å; F232-V279 HydrophobicContact CE1-CG1 3.98Å; F232-V279 HydrophobicContact CG-CG1 4.3Å; P252-V279 HydrophobicContact CG-CG2 4.14Å; P252-V279 WeakPolarHBondContact O-CG2 3.49Å; L254-V279 HydrophobicContact CD2-CG1 4.33Å; L254-V279 HydrophobicContact CG-CG1 4.28Å; I257-V279 HydrophobicContact CD1-CG2 3.99Å; I257-V279 HydrophobicContact CG1-CG2 3.64Å; D275-V279 WeakPolarHBondContact O-CG2 3.5Å; D275-V279 PolarHBondContact O-N 3.25Å; M276-V279 WeakPolarHBondContact O-CB 3.32Å; M276-V279 PolarHBondContact O-N 3.46Å; M276-V279 VanDerWaalsContact O-N 3.14Å; A277-V279 VanDerWaalsContact C-N 3.32Å; A277-V279 PolarHBondContact O-N 2.87Å; V279-G282 PolarHBondContact O-N 2.99Å; V279-V283 PolarHBondContact O-N 3.43Å |
| 280 | F | 88.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -46.2 | -178.2 | -56.4 | -44.7 | 0 | 0 | 0 | 112.4 | F232 M276 A277 G282 V283 R284 I300 E301 F304 | F232-F280 AromaticContact CE1-CD1 3.82Å; F232-F280 HydrophobicContact CE1-CD1 3.82Å; F232-F280 HydrophobicContact CE1-CE1 4.44Å; F232-F280 AromaticContact CZ-CD1 3.91Å; F232-F280 HydrophobicContact CZ-CD1 3.91Å; F232-F280 HydrophobicContact CZ-CE1 4.44Å; M276-F280 HydrophobicContact CB-CE2 4.33Å; M276-F280 HydrophobicContact CE-CE1 4.46Å; M276-F280 HydrophobicContact CE-CE2 4.09Å; M276-F280 HydrophobicContact CE-CZ 3.59Å; M276-F280 VanDerWaalsContact O-CD2 3.23Å; M276-F280 WeakPolarHBondContact O-CD2 3.31Å; M276-F280 PolarHBondContact O-N 3.1Å; A277-F280 PolarHBondContact O-N 2.82Å; F280-G282 VanDerWaalsContact C-N 3.31Å; F280-G282 PolarHBondContact O-N 3.19Å; F280-V283 PolarHBondContact O-N 2.89Å; F280-R284 WeakPolarHBondContact O-CG 3.46Å; F280-R284 PolarHBondContact O-N 3.31Å; F280-I300 HydrophobicContact CD1-CG2 4.5Å; F280-I300 HydrophobicContact CE1-CB 4.05Å; F280-I300 HydrophobicContact CE1-CG2 3.48Å; F280-I300 VanDerWaalsContact CE1-CG2 3.48Å; F280-I300 HydrophobicContact CZ-CG2 3.98Å; F280-E301 HydrophobicContact CD1-CB 4.39Å; F280-E301 HydrophobicContact CD2-CB 3.73Å; F280-E301 HydrophobicContact CD2-CG 3.67Å; F280-E301 HydrophobicContact CE2-CB 3.93Å; F280-E301 HydrophobicContact CE2-CG 3.96Å; F280-E301 HydrophobicContact CG-CB 3.98Å; F280-E301 HydrophobicContact CG-CG 4.32Å; F280-E301 HydrophobicContact CZ-CB 4.35Å; F280-F304 HydrophobicContact CE2-CB 4.06Å; F280-F304 AromaticContact CE2-CD1 3.81Å; F280-F304 HydrophobicContact CE2-CD1 3.81Å; F280-F304 HydrophobicContact CE2-CE1 4.49Å; F280-F304 AromaticContact CE2-CG 3.97Å; F280-F304 HydrophobicContact CE2-CG 3.97Å; F280-F304 HydrophobicContact CZ-CB 3.89Å; F280-F304 HydrophobicContact CZ-CD1 4.45Å; F280-F304 HydrophobicContact CZ-CG 4.15Å |
| 281 | N | 86.3 | Confident | 86.2 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.8 | -27.3 | -179.4 | -68.7 | -28.9 | 0 | 0 | 0 | 112.5 | A277 R284 R285 | A277-N281 VanDerWaalsContact O-CB 3.27Å; A277-N281 WeakPolarHBondContact O-CB 3.37Å; A277-N281 VanDerWaalsContact O-CG 3.3Å; A277-N281 PolarHBondContact O-N 3.35Å; A277-N281 PolarHBondContact O-ND2 3.27Å; N281-R284 PolarHBondContact O-N 3.47Å; N281-R284 PolarHBondContact OD1-NH1 2.76Å; N281-R284 VanDerWaalsContact OD1-NH1 3.09Å; N281-R285 WeakPolarHBondContact O-CB 3.34Å; N281-R285 VanDerWaalsContact O-CG 3.24Å; N281-R285 WeakPolarHBondContact O-CG 3.47Å; N281-R285 PolarHBondContact O-N 3.24Å; N281-R285 PolarHBondContact O-NE 3.16Å |
| 282 | G | 85 | Confident | 86.7 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K278 V279 F280 R285 R286 | K278-G282 PolarHBondContact O-N 3.38Å; V279-G282 PolarHBondContact O-N 2.99Å; F280-G282 VanDerWaalsContact C-N 3.31Å; F280-G282 PolarHBondContact O-N 3.19Å; G282-R285 PolarHBondContact O-N 3.38Å; G282-R286 WeakPolarHBondContact O-CB 3.48Å; G282-R286 PolarHBondContact O-N 3.25Å |
| 283 | V | 86.3 | Confident | 86.8 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 172.7 | 174 | 0 | 0 | 0 | 0 | 111.1 | P231 F232 V279 F280 R285 R286 Y287 E293 A297 | P231-V283 HydrophobicContact CB-CG1 4.15Å; P231-V283 HydrophobicContact CB-CG2 4.43Å; F232-V283 HydrophobicContact CD1-CG2 3.6Å; F232-V283 HydrophobicContact CE1-CB 3.76Å; F232-V283 HydrophobicContact CE1-CG1 4.29Å; F232-V283 HydrophobicContact CE1-CG2 3.23Å; F232-V283 HydrophobicContact CZ-CB 4.19Å; F232-V283 HydrophobicContact CZ-CG1 4.27Å; F232-V283 HydrophobicContact CZ-CG2 3.99Å; V279-V283 PolarHBondContact O-N 3.43Å; F280-V283 PolarHBondContact O-N 2.89Å; V283-R285 VanDerWaalsContact C-N 3.28Å; V283-R285 PolarHBondContact O-N 3.11Å; V283-R286 PolarHBondContact O-N 2.64Å; V283-Y287 HydrophobicContact CG1-CD2 3.75Å; V283-Y287 HydrophobicContact CG1-CE2 4.18Å; V283-Y287 VanDerWaalsContact O-CD2 3.28Å; V283-Y287 WeakPolarHBondContact O-CD2 3.21Å; V283-Y287 PolarHBondContact O-N 2.93Å; V283-E293 HydrophobicContact CG1-CB 4.04Å; V283-E293 WeakPolarHBondContact CG1-O 3.46Å; V283-A297 HydrophobicContact CB-CB 4.39Å; V283-A297 HydrophobicContact CG1-CB 4.15Å |
| 284 | R | 87.9 | Confident | 87 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -28.4 | 177 | -69 | -179.5 | -175.2 | 123.1 | 2.4 | 114.8 | F280 N281 Y287 F294 A297 N298 E301 | F280-R284 WeakPolarHBondContact O-CG 3.46Å; F280-R284 PolarHBondContact O-N 3.31Å; N281-R284 PolarHBondContact O-N 3.47Å; N281-R284 PolarHBondContact OD1-NH1 2.76Å; N281-R284 VanDerWaalsContact OD1-NH1 3.09Å; R284-Y287 CarbonylContact C-O 3.47Å; R284-F294 HydrophobicContact CB-CD2 3.75Å; R284-F294 HydrophobicContact CB-CE2 3.55Å; R284-F294 HydrophobicContact CB-CZ 4.42Å; R284-F294 HydrophobicContact CG-CD2 3.69Å; R284-F294 HydrophobicContact CG-CE2 3.55Å; R284-F294 HydrophobicContact CG-CG 4.29Å; R284-F294 HydrophobicContact CG-CZ 4.05Å; R284-A297 HydrophobicContact CG-CB 3.99Å; R284-N298 PolarHBondContact NE-OD1 3Å; R284-N298 PolarHBondContact NH2-OD1 3.09Å; R284-E301 IonicContact CZ-OE1 3.72Å; R284-E301 IonicContact CZ-OE2 2.64Å; R284-E301 VanDerWaalsContact CZ-OE2 3.31Å; R284-E301 VanDerWaalsContact NH1-CD 3.35Å; R284-E301 IonicContact NH1-OE1 2.65Å; R284-E301 PolarHBondContact NH1-OE1 3.09Å; R284-E301 IonicContact NH1-OE2 3.78Å; R284-E301 PolarHBondContact NH1-OE2 3.45Å; R284-E301 VanDerWaalsContact NH2-CD 3.32Å; R284-E301 IonicContact NH2-OE1 2.93Å; R284-E301 IonicContact NH2-OE2 3.2Å; R284-E301 PolarHBondContact NH2-OE2 2.83Å |
| 285 | R | 85.1 | Confident | 87.3 | Confident | 184 Ų | 184 | 56.6 Ų | 56.6 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -78.5 | -35.7 | 174.7 | -77 | -176.4 | -62.7 | -178.2 | 6.8 | 111.6 | N281 G282 V283 | N281-R285 WeakPolarHBondContact O-CB 3.34Å; N281-R285 VanDerWaalsContact O-CG 3.24Å; N281-R285 WeakPolarHBondContact O-CG 3.47Å; N281-R285 PolarHBondContact O-N 3.24Å; N281-R285 PolarHBondContact O-NE 3.16Å; G282-R285 PolarHBondContact O-N 3.38Å; V283-R285 VanDerWaalsContact C-N 3.28Å; V283-R285 PolarHBondContact O-N 3.11Å |
| 286 | R | 83.7 | Confident | 87.7 | Confident | 106 Ų | 106 | 54.8 Ų | 54.8 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 178.2 | -175.8 | 179.8 | -64.2 | 167.3 | -1.2 | 112.1 | Y244 G282 V283 | Y244-R286 PolarHBondContact OH-NH1 3.2Å; Y244-R286 VanDerWaalsContact OH-NH1 3.16Å; G282-R286 WeakPolarHBondContact O-CB 3.48Å; G282-R286 PolarHBondContact O-N 3.25Å; V283-R286 PolarHBondContact O-N 2.64Å |
| 287 | Y | 85.5 | Confident | 87.7 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -113.9 | 130.6 | -176 | -58.2 | -82.8 | 0 | 0 | 0 | 109.9 | V283 R284 A291 E293 F294 | V283-Y287 HydrophobicContact CG1-CD2 3.75Å; V283-Y287 HydrophobicContact CG1-CE2 4.18Å; V283-Y287 VanDerWaalsContact O-CD2 3.28Å; V283-Y287 WeakPolarHBondContact O-CD2 3.21Å; V283-Y287 PolarHBondContact O-N 2.93Å; R284-Y287 CarbonylContact C-O 3.47Å; Y287-A291 HydrophobicContact CD1-CB 4.44Å; Y287-A291 HydrophobicContact CG-CB 4.48Å; Y287-E293 HydrophobicContact CD1-CB 3.9Å; Y287-E293 HydrophobicContact CD1-CG 3.81Å; Y287-E293 HydrophobicContact CD2-CB 3.4Å; Y287-E293 VanDerWaalsContact CD2-CB 3.4Å; Y287-E293 HydrophobicContact CD2-CG 3.87Å; Y287-E293 HydrophobicContact CE1-CB 4.21Å; Y287-E293 VanDerWaalsContact CE1-CD 3.46Å; Y287-E293 HydrophobicContact CE1-CG 3.67Å; Y287-E293 WeakPolarHBondContact CE1-OE1 3.41Å; Y287-E293 HydrophobicContact CE2-CB 3.76Å; Y287-E293 HydrophobicContact CE2-CG 3.74Å; Y287-E293 HydrophobicContact CG-CB 3.49Å; Y287-E293 VanDerWaalsContact CG-CB 3.49Å; Y287-E293 HydrophobicContact CG-CG 3.92Å; Y287-F294 WeakPolarHBondContact O-CD2 3.33Å |
| 288 | G | 84.4 | Confident | 87.8 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 55% | 0.546 | 29% | 0.286 | S | S | . | . | trans | -65.5 | 168.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | N290 A291 F294 | G288-N290 PolarHBondContact O-N 3.01Å; G288-A291 VanDerWaalsContact O-CB 3.29Å; G288-A291 WeakPolarHBondContact O-CB 3.23Å; G288-A291 PolarHBondContact O-N 2.73Å; G288-F294 VanDerWaalsContact O-CB 3.28Å; G288-F294 WeakPolarHBondContact O-CB 3.47Å | ||
| 289 | T | 87.3 | Confident | 88.2 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.9 | -176.3 | 52.5 | 0 | 0 | 0 | 0 | 115 | F294 Q295 | T289-F294 HydrophobicContact CG2-CE1 4.33Å; T289-F294 HydrophobicContact CG2-CE2 4.05Å; T289-F294 HydrophobicContact CG2-CZ 3.94Å; T289-Q295 PolarHBondContact O-NE2 2.84Å |
| 290 | N | 86.9 | Confident | 88.4 | Confident | 159 Ų | 159 | 53.8 Ų | 53.8 | 85% | 0.85 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -9.3 | -177.4 | -61 | -9.3 | 0 | 0 | 0 | 113.3 | G288 | G288-N290 PolarHBondContact O-N 3.01Š|
| 291 | A | 89.7 | Confident | 88.6 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 21% | 0.207 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -78.4 | 146 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y287 G288 E293 F294 Q295 | Y287-A291 HydrophobicContact CD1-CB 4.44Å; Y287-A291 HydrophobicContact CG-CB 4.48Å; G288-A291 VanDerWaalsContact O-CB 3.29Å; G288-A291 WeakPolarHBondContact O-CB 3.23Å; G288-A291 PolarHBondContact O-N 2.73Å; A291-E293 WeakPolarHBondContact CB-OE2 2.92Å; A291-E293 PolarHBondContact O-N 3.39Å; A291-F294 WeakPolarHBondContact O-CB 3.44Å; A291-F294 PolarHBondContact O-N 2.87Å; A291-Q295 PolarHBondContact O-N 3.48Å |
| 292 | S | 90.8 | Very high | 88.8 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.1 | -28.5 | 178.2 | 60 | 0 | 0 | 0 | 0 | 111.5 | Q295 C296 | S292-Q295 PolarHBondContact O-N 2.91Å; S292-C296 PolarHBondContact O-N 3.44Å; S292-C296 PolarHBondContact O-SG 2.76Å |
| 293 | E | 90.4 | Very high | 89.1 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 174.5 | -63.1 | 89.1 | 160.5 | 0 | 0 | 112.5 | W230 P231 V283 Y287 A291 Q295 C296 A297 | W230-E293 HydrophobicContact CH2-CG 3.4Å; W230-E293 VanDerWaalsContact CH2-CG 3.4Å; W230-E293 WeakPolarHBondContact CH2-OE1 3.46Å; W230-E293 HydrophobicContact CZ2-CG 4.1Å; W230-E293 HydrophobicContact CZ3-CG 3.86Å; P231-E293 HydrophobicContact CB-CB 4.28Å; P231-E293 HydrophobicContact CB-CG 4.21Å; P231-E293 HydrophobicContact CG-CB 4.19Å; P231-E293 HydrophobicContact CG-CG 4.1Å; V283-E293 HydrophobicContact CG1-CB 4.04Å; V283-E293 WeakPolarHBondContact CG1-O 3.46Å; Y287-E293 HydrophobicContact CD1-CB 3.9Å; Y287-E293 HydrophobicContact CD1-CG 3.81Å; Y287-E293 HydrophobicContact CD2-CB 3.4Å; Y287-E293 VanDerWaalsContact CD2-CB 3.4Å; Y287-E293 HydrophobicContact CD2-CG 3.87Å; Y287-E293 HydrophobicContact CE1-CB 4.21Å; Y287-E293 VanDerWaalsContact CE1-CD 3.46Å; Y287-E293 HydrophobicContact CE1-CG 3.67Å; Y287-E293 WeakPolarHBondContact CE1-OE1 3.41Å; Y287-E293 HydrophobicContact CE2-CB 3.76Å; Y287-E293 HydrophobicContact CE2-CG 3.74Å; Y287-E293 HydrophobicContact CG-CB 3.49Å; Y287-E293 VanDerWaalsContact CG-CB 3.49Å; Y287-E293 HydrophobicContact CG-CG 3.92Å; A291-E293 WeakPolarHBondContact CB-OE2 2.92Å; A291-E293 PolarHBondContact O-N 3.39Å; E293-Q295 VanDerWaalsContact C-N 3.32Å; E293-C296 WeakPolarHBondContact O-CB 3.48Å; E293-C296 PolarHBondContact O-N 3.48Å; E293-A297 PolarHBondContact O-N 3.15Å |
| 294 | F | 90.2 | Very high | 89.4 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 174.8 | -172.3 | -78.3 | 0 | 0 | 0 | 110.3 | R284 Y287 G288 T289 A291 A297 N298 | R284-F294 HydrophobicContact CB-CD2 3.75Å; R284-F294 HydrophobicContact CB-CE2 3.55Å; R284-F294 HydrophobicContact CB-CZ 4.42Å; R284-F294 HydrophobicContact CG-CD2 3.69Å; R284-F294 HydrophobicContact CG-CE2 3.55Å; R284-F294 HydrophobicContact CG-CG 4.29Å; R284-F294 HydrophobicContact CG-CZ 4.05Å; Y287-F294 WeakPolarHBondContact O-CD2 3.33Å; G288-F294 VanDerWaalsContact O-CB 3.28Å; G288-F294 WeakPolarHBondContact O-CB 3.47Å; T289-F294 HydrophobicContact CG2-CE1 4.33Å; T289-F294 HydrophobicContact CG2-CE2 4.05Å; T289-F294 HydrophobicContact CG2-CZ 3.94Å; A291-F294 WeakPolarHBondContact O-CB 3.44Å; A291-F294 PolarHBondContact O-N 2.87Å; F294-A297 WeakPolarHBondContact O-CB 3.42Å; F294-A297 PolarHBondContact O-N 3.07Å; F294-N298 WeakPolarHBondContact CE1-ND2 3.28Å; F294-N298 PolarHBondContact O-N 3.39Å |
| 295 | Q | 91.5 | Very high | 89.4 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 176.3 | -60.1 | -56.7 | -30.3 | 0 | 0 | 111.8 | T289 A291 S292 E293 A297 N298 V299 | T289-Q295 PolarHBondContact O-NE2 2.84Å; A291-Q295 PolarHBondContact O-N 3.48Å; S292-Q295 PolarHBondContact O-N 2.91Å; E293-Q295 VanDerWaalsContact C-N 3.32Å; Q295-A297 VanDerWaalsContact C-N 3.28Å; Q295-A297 PolarHBondContact O-N 3.43Å; Q295-N298 PolarHBondContact O-N 3.17Å; Q295-V299 WeakPolarHBondContact O-CG2 3.44Å; Q295-V299 PolarHBondContact O-N 2.86Å |
| 296 | C | 91.7 | Very high | 89.5 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.034 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58 | -41.2 | 172.4 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | M228 W230 P231 S292 E293 N298 V299 I300 | M228-C296 HydrophobicContact CB-CB 4.25Å; M228-C296 WeakPolarHBondContact O-CB 3.42Å; W230-C296 PolarHBondContact NE1-SG 2.9Å; P231-C296 HydrophobicContact CG-CB 3.76Å; S292-C296 PolarHBondContact O-N 3.44Å; S292-C296 PolarHBondContact O-SG 2.76Å; E293-C296 WeakPolarHBondContact O-CB 3.48Å; E293-C296 PolarHBondContact O-N 3.48Å; C296-N298 VanDerWaalsContact C-N 3.35Å; C296-N298 PolarHBondContact O-N 3.5Å; C296-V299 PolarHBondContact O-N 2.82Å; C296-I300 VanDerWaalsContact O-CG1 3.31Å; C296-I300 WeakPolarHBondContact O-CG1 3.43Å; C296-I300 PolarHBondContact O-N 2.91Å |
| 297 | A | 90 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F232 V283 R284 E293 F294 Q295 V299 E301 | F232-A297 HydrophobicContact CE1-CB 4.49Å; F232-A297 HydrophobicContact CZ-CB 3.73Å; V283-A297 HydrophobicContact CB-CB 4.39Å; V283-A297 HydrophobicContact CG1-CB 4.15Å; R284-A297 HydrophobicContact CG-CB 3.99Å; E293-A297 PolarHBondContact O-N 3.15Å; F294-A297 WeakPolarHBondContact O-CB 3.42Å; F294-A297 PolarHBondContact O-N 3.07Å; Q295-A297 VanDerWaalsContact C-N 3.28Å; Q295-A297 PolarHBondContact O-N 3.43Å; A297-V299 PolarHBondContact O-N 2.85Å; A297-E301 WeakPolarHBondContact O-CB 3.36Å; A297-E301 PolarHBondContact O-N 3.07Å |
| 298 | N | 90.5 | Very high | 89.8 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176 | -61.3 | -20.5 | 0 | 0 | 0 | 111.9 | R284 F294 Q295 C296 A302 | R284-N298 PolarHBondContact NE-OD1 3Å; R284-N298 PolarHBondContact NH2-OD1 3.09Å; F294-N298 WeakPolarHBondContact CE1-ND2 3.28Å; F294-N298 PolarHBondContact O-N 3.39Å; Q295-N298 PolarHBondContact O-N 3.17Å; C296-N298 VanDerWaalsContact C-N 3.35Å; C296-N298 PolarHBondContact O-N 3.5Å; N298-A302 WeakPolarHBondContact O-CB 3.46Å; N298-A302 PolarHBondContact O-N 3.48Å |
| 299 | V | 93.1 | Very high | 89.6 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 38% | 0.382 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.3 | -48.4 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | M228 Q295 C296 A297 A302 L303 | M228-V299 HydrophobicContact CB-CG1 4.42Å; M228-V299 HydrophobicContact CG-CG1 4.35Å; Q295-V299 WeakPolarHBondContact O-CG2 3.44Å; Q295-V299 PolarHBondContact O-N 2.86Å; C296-V299 PolarHBondContact O-N 2.82Å; A297-V299 PolarHBondContact O-N 2.85Å; V299-A302 PolarHBondContact O-N 2.97Å; V299-L303 HydrophobicContact CG1-CD1 4.27Å; V299-L303 WeakPolarHBondContact O-CG 3.37Å; V299-L303 PolarHBondContact O-N 3.35Å; V299-L303 VanDerWaalsContact O-N 3.12Å |
| 300 | I | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.5 | -38.2 | -178.7 | -59.6 | -61.9 | 0 | 0 | 0 | 111.1 | L223 H226 M228 F232 F280 C296 A302 L303 F304 | L223-I300 HydrophobicContact CB-CG2 4.35Å; L223-I300 HydrophobicContact CD1-CG2 4.5Å; L223-I300 HydrophobicContact CD2-CG2 3.95Å; L223-I300 HydrophobicContact CG-CG2 4.48Å; H226-I300 HydrophobicContact CB-CD1 3.87Å; H226-I300 WeakPolarHBondContact ND1-CD1 3.42Å; M228-I300 HydrophobicContact CB-CD1 4.19Å; M228-I300 HydrophobicContact CB-CG1 4.48Å; F232-I300 HydrophobicContact CD2-CG1 4.17Å; F232-I300 HydrophobicContact CE2-CB 4.01Å; F232-I300 HydrophobicContact CE2-CG1 3.75Å; F232-I300 HydrophobicContact CE2-CG2 4.38Å; F280-I300 HydrophobicContact CD1-CG2 4.5Å; F280-I300 HydrophobicContact CE1-CB 4.05Å; F280-I300 HydrophobicContact CE1-CG2 3.48Å; F280-I300 VanDerWaalsContact CE1-CG2 3.48Å; F280-I300 HydrophobicContact CZ-CG2 3.98Å; C296-I300 VanDerWaalsContact O-CG1 3.31Å; C296-I300 WeakPolarHBondContact O-CG1 3.43Å; C296-I300 PolarHBondContact O-N 2.91Å; I300-A302 VanDerWaalsContact C-N 3.35Å; I300-A302 PolarHBondContact O-N 3.4Å; I300-L303 HydrophobicContact CD1-CD1 4.43Å; I300-L303 PolarHBondContact O-N 3.12Å; I300-F304 VanDerWaalsContact O-CB 3.31Å; I300-F304 WeakPolarHBondContact O-CB 3.43Å; I300-F304 PolarHBondContact O-N 3.24Å |
| 301 | E | 92 | Very high | 88.7 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 176.1 | -174.6 | -178.3 | -115.3 | 0 | 0 | 112.3 | F280 R284 A297 F304 T305 | F280-E301 HydrophobicContact CD1-CB 4.39Å; F280-E301 HydrophobicContact CD2-CB 3.73Å; F280-E301 HydrophobicContact CD2-CG 3.67Å; F280-E301 HydrophobicContact CE2-CB 3.93Å; F280-E301 HydrophobicContact CE2-CG 3.96Å; F280-E301 HydrophobicContact CG-CB 3.98Å; F280-E301 HydrophobicContact CG-CG 4.32Å; F280-E301 HydrophobicContact CZ-CB 4.35Å; R284-E301 IonicContact CZ-OE1 3.72Å; R284-E301 IonicContact CZ-OE2 2.64Å; R284-E301 VanDerWaalsContact CZ-OE2 3.31Å; R284-E301 VanDerWaalsContact NH1-CD 3.35Å; R284-E301 IonicContact NH1-OE1 2.65Å; R284-E301 PolarHBondContact NH1-OE1 3.09Å; R284-E301 IonicContact NH1-OE2 3.78Å; R284-E301 PolarHBondContact NH1-OE2 3.45Å; R284-E301 VanDerWaalsContact NH2-CD 3.32Å; R284-E301 IonicContact NH2-OE1 2.93Å; R284-E301 IonicContact NH2-OE2 3.2Å; R284-E301 PolarHBondContact NH2-OE2 2.83Å; A297-E301 WeakPolarHBondContact O-CB 3.36Å; A297-E301 PolarHBondContact O-N 3.07Å; E301-F304 WeakPolarHBondContact O-CB 3.31Å; E301-F304 PolarHBondContact O-N 2.67Å; E301-T305 WeakPolarHBondContact O-CB 3.18Å; E301-T305 PolarHBondContact O-N 3.4Å; E301-T305 PolarHBondContact O-OG1 2.92Å |
| 302 | A | 90.1 | Very high | 87.6 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 49% | 0.488 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N298 V299 I300 F304 T305 E306 | N298-A302 WeakPolarHBondContact O-CB 3.46Å; N298-A302 PolarHBondContact O-N 3.48Å; V299-A302 PolarHBondContact O-N 2.97Å; I300-A302 VanDerWaalsContact C-N 3.35Å; I300-A302 PolarHBondContact O-N 3.4Å; A302-F304 VanDerWaalsContact C-N 3.35Å; A302-F304 PolarHBondContact O-N 3.49Å; A302-T305 PolarHBondContact O-N 3.1Å; A302-E306 PolarHBondContact O-N 2.9Å |
| 303 | L | 91.5 | Very high | 85.8 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 175.6 | -69.6 | 172.8 | 0 | 0 | 0 | 112.2 | L223 H226 V299 I300 E306 K307 | L223-L303 HydrophobicContact CD2-CB 3.93Å; H226-L303 WeakPolarHBondContact NE2-CD1 3.4Å; V299-L303 HydrophobicContact CG1-CD1 4.27Å; V299-L303 WeakPolarHBondContact O-CG 3.37Å; V299-L303 PolarHBondContact O-N 3.35Å; V299-L303 VanDerWaalsContact O-N 3.12Å; I300-L303 HydrophobicContact CD1-CD1 4.43Å; I300-L303 PolarHBondContact O-N 3.12Å; L303-E306 PolarHBondContact O-N 2.99Å; L303-K307 PolarHBondContact O-N 2.79Å |
| 304 | F | 92.5 | Very high | 83.3 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -49 | 173.8 | 166.8 | -108.4 | 0 | 0 | 0 | 111.1 | L219 L223 F272 A273 M276 F280 I300 E301 A302 E306 K307 L308 | L219-F304 HydrophobicContact CD1-CD2 4.46Å; L219-F304 HydrophobicContact CD2-CD2 3.8Å; L219-F304 HydrophobicContact CD2-CE2 4.05Å; L223-F304 HydrophobicContact CD1-CB 3.9Å; L223-F304 HydrophobicContact CD1-CD2 3.93Å; L223-F304 HydrophobicContact CD1-CG 4.38Å; L223-F304 HydrophobicContact CD2-CB 4.31Å; F272-F304 HydrophobicContact CD1-CE2 4.44Å; F272-F304 AromaticContact CE1-CE2 3.56Å; F272-F304 HydrophobicContact CE1-CE2 3.56Å; F272-F304 HydrophobicContact CE1-CZ 4.08Å; F272-F304 AromaticContact CZ-CE2 3.99Å; F272-F304 HydrophobicContact CZ-CE2 3.99Å; A273-F304 HydrophobicContact CB-CZ 4.46Å; M276-F304 HydrophobicContact CB-CE1 4.04Å; M276-F304 HydrophobicContact CB-CE2 3.95Å; M276-F304 HydrophobicContact CB-CZ 3.64Å; M276-F304 HydrophobicContact CE-CB 4.49Å; M276-F304 HydrophobicContact CE-CD2 3.45Å; M276-F304 VanDerWaalsContact CE-CD2 3.45Å; M276-F304 HydrophobicContact CE-CE2 3.73Å; M276-F304 HydrophobicContact CE-CG 4Å; M276-F304 HydrophobicContact CG-CD2 4.35Å; M276-F304 HydrophobicContact CG-CE2 3.65Å; M276-F304 HydrophobicContact CG-CZ 3.81Å; M276-F304 HydrophobicContact SD-CE2 4.49Å; F280-F304 HydrophobicContact CE2-CB 4.06Å; F280-F304 AromaticContact CE2-CD1 3.81Å; F280-F304 HydrophobicContact CE2-CD1 3.81Å; F280-F304 HydrophobicContact CE2-CE1 4.49Å; F280-F304 AromaticContact CE2-CG 3.97Å; F280-F304 HydrophobicContact CE2-CG 3.97Å; F280-F304 HydrophobicContact CZ-CB 3.89Å; F280-F304 HydrophobicContact CZ-CD1 4.45Å; F280-F304 HydrophobicContact CZ-CG 4.15Å; I300-F304 VanDerWaalsContact O-CB 3.31Å; I300-F304 WeakPolarHBondContact O-CB 3.43Å; I300-F304 PolarHBondContact O-N 3.24Å; E301-F304 WeakPolarHBondContact O-CB 3.31Å; E301-F304 PolarHBondContact O-N 2.67Å; A302-F304 VanDerWaalsContact C-N 3.35Å; A302-F304 PolarHBondContact O-N 3.49Å; F304-E306 VanDerWaalsContact C-N 3.33Å; F304-E306 PolarHBondContact O-N 3.2Å; F304-K307 PolarHBondContact O-N 2.65Å; F304-L308 HydrophobicContact CE1-CD2 4.06Å; F304-L308 HydrophobicContact CE2-CD1 4.43Å; F304-L308 HydrophobicContact CE2-CD2 4.46Å; F304-L308 HydrophobicContact CZ-CD1 4.43Å; F304-L308 HydrophobicContact CZ-CD2 3.78Å; F304-L308 HydrophobicContact CZ-CG 4.48Å; F304-L308 VanDerWaalsContact O-CB 3.23Å; F304-L308 WeakPolarHBondContact O-CB 3.42Å; F304-L308 PolarHBondContact O-N 3.2Å |
| 305 | T | 87.5 | Confident | 80.5 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | -178.6 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | E301 A302 R309 | E301-T305 WeakPolarHBondContact O-CB 3.18Å; E301-T305 PolarHBondContact O-N 3.4Å; E301-T305 PolarHBondContact O-OG1 2.92Å; A302-T305 PolarHBondContact O-N 3.1Å; T305-R309 WeakPolarHBondContact O-CG 3.5Å; T305-R309 PolarHBondContact O-N 3.32Å |
| 306 | E | 87.7 | Confident | 77.5 | Confident | 132 Ų | 132 | 63.3 Ų | 63.3 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.1 | -51.1 | 175.3 | -175.8 | 179.7 | -179.7 | 0 | 0 | 111.8 | A302 L303 F304 L308 R309 | A302-E306 PolarHBondContact O-N 2.9Å; L303-E306 PolarHBondContact O-N 2.99Å; F304-E306 VanDerWaalsContact C-N 3.33Å; F304-E306 PolarHBondContact O-N 3.2Å; E306-L308 VanDerWaalsContact C-N 3.35Å; E306-L308 PolarHBondContact O-N 3.21Å; E306-R309 PolarHBondContact O-N 3.38Å |
| 307 | K | 88.4 | Confident | 74.4 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 178.4 | -72.9 | -178 | 178.4 | -80.8 | 0 | 112.6 | L219 D222 L303 F304 R309 S310 I311 | L219-K307 HydrophobicContact CD1-CB 3.73Å; L219-K307 HydrophobicContact CG-CB 3.92Å; L219-K307 HydrophobicContact CG-CD 4.42Å; D222-K307 HydrophobicContact CB-CD 4.18Å; D222-K307 WeakPolarHBondContact OD2-CE 3.39Å; D222-K307 IonicContact OD2-NZ 3.08Å; D222-K307 PolarHBondContact OD2-NZ 2.98Å; L303-K307 PolarHBondContact O-N 2.79Å; F304-K307 PolarHBondContact O-N 2.65Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 PolarHBondContact O-N 2.93Å; K307-S310 PolarHBondContact O-N 2.93Å; K307-S310 PolarHBondContact O-OG 3.26Å; K307-I311 PolarHBondContact O-N 3.45Å |
| 308 | L | 86.8 | Confident | 71.4 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.6 | -33.3 | 178.4 | -169.1 | 69.5 | 0 | 0 | 0 | 111.7 | L219 L269 F272 A273 F304 E306 S310 I311 K312 | L219-L308 HydrophobicContact CD1-CB 4.33Å; L219-L308 HydrophobicContact CD1-CD1 4.34Å; L269-L308 HydrophobicContact CD2-CD1 4.18Å; F272-L308 HydrophobicContact CD1-CD1 4.26Å; F272-L308 HydrophobicContact CE1-CD1 4.09Å; A273-L308 HydrophobicContact CB-CD2 4.37Å; F304-L308 HydrophobicContact CE1-CD2 4.06Å; F304-L308 HydrophobicContact CE2-CD1 4.43Å; F304-L308 HydrophobicContact CE2-CD2 4.46Å; F304-L308 HydrophobicContact CZ-CD1 4.43Å; F304-L308 HydrophobicContact CZ-CD2 3.78Å; F304-L308 HydrophobicContact CZ-CG 4.48Å; F304-L308 VanDerWaalsContact O-CB 3.23Å; F304-L308 WeakPolarHBondContact O-CB 3.42Å; F304-L308 PolarHBondContact O-N 3.2Å; E306-L308 VanDerWaalsContact C-N 3.35Å; E306-L308 PolarHBondContact O-N 3.21Å; L308-S310 VanDerWaalsContact C-N 3.34Å; L308-I311 PolarHBondContact O-N 3.18Å; L308-K312 HydrophobicContact CG-CD 4.36Å; L308-K312 WeakPolarHBondContact O-CG 3.29Å; L308-K312 PolarHBondContact O-N 2.97Å; L308-K312 VanDerWaalsContact O-N 3.11Å |
| 309 | R | 80.5 | Confident | 68.1 | Low | 167 Ų | 167 | 77 Ų | 77 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | 175 | -73.2 | 174.1 | -166.4 | 165.3 | 4.9 | 111.8 | T305 E306 K307 I311 K312 V313 | T305-R309 WeakPolarHBondContact O-CG 3.5Å; T305-R309 PolarHBondContact O-N 3.32Å; E306-R309 PolarHBondContact O-N 3.38Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 PolarHBondContact O-N 2.93Å; R309-I311 PolarHBondContact O-N 3.07Å; R309-K312 PolarHBondContact O-N 3.19Å; R309-V313 WeakPolarHBondContact O-CG2 3.28Å; R309-V313 PolarHBondContact O-N 2.91Å |
| 310 | S | 78.1 | Confident | 65 | Low | 83 Ų | 83 | 82 Ų | 82 | 58% | 0.58 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.8 | -26.9 | 178.8 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | K307 L308 | K307-S310 PolarHBondContact O-N 2.93Å; K307-S310 PolarHBondContact O-OG 3.26Å; L308-S310 VanDerWaalsContact C-N 3.34Å |
| 311 | I | 77.5 | Confident | 61.7 | Low | 14 Ų | 14 | 90.5 Ų | 90.5 | 7% | 0.072 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -76.4 | -40.1 | 174.9 | -59.5 | 178.1 | 0 | 0 | 0 | 111.6 | K215 L216 L219 L269 K307 L308 R309 V313 | K215-I311 HydrophobicContact CB-CD1 3.81Å; K215-I311 HydrophobicContact CB-CG1 3.96Å; K215-I311 HydrophobicContact CB-CG2 4.25Å; K215-I311 HydrophobicContact CD-CG1 4.35Å; K215-I311 HydrophobicContact CD-CG2 4.04Å; L216-I311 HydrophobicContact CD2-CD1 4.05Å; L219-I311 HydrophobicContact CB-CD1 4.1Å; L219-I311 HydrophobicContact CD1-CD1 3.53Å; L219-I311 HydrophobicContact CG-CD1 4.47Å; L269-I311 HydrophobicContact CD2-CG2 4.46Å; K307-I311 PolarHBondContact O-N 3.45Å; L308-I311 PolarHBondContact O-N 3.18Å; R309-I311 PolarHBondContact O-N 3.07Å; I311-V313 PolarHBondContact O-N 3.25Å |
| 312 | K | 66.2 | Low | 58.4 | Low | 41 Ų | 41 | 93.3 Ų | 93.3 | 18% | 0.178 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -64 | -19.4 | 179.4 | -74.4 | 170.8 | 175.7 | 176.7 | 0 | 113.4 | M204 L269 L308 R309 L314 | M204-K312 VanDerWaalsContact CE-NZ 3.27Å; M204-K312 HydrophobicContact CG-CD 4.48Å; M204-K312 PolarHBondContact SD-NZ 3.07Å; L269-K312 HydrophobicContact CD1-CG 3.9Å; L308-K312 HydrophobicContact CG-CD 4.36Å; L308-K312 WeakPolarHBondContact O-CG 3.29Å; L308-K312 PolarHBondContact O-N 2.97Å; L308-K312 VanDerWaalsContact O-N 3.11Å; R309-K312 PolarHBondContact O-N 3.19Å; K312-L314 PolarHBondContact O-N 3.05Å |
| 313 | V | 53.4 | Low | 55.3 | Low | 94 Ų | 94 | 96.7 Ų | 96.7 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -78.8 | 99.4 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | R309 I311 | R309-V313 WeakPolarHBondContact O-CG2 3.28Å; R309-V313 PolarHBondContact O-N 2.91Å; I311-V313 PolarHBondContact O-N 3.25Å |
| 314 | L | 36.9 | Very low | 52.1 | Low | 91 Ų | 91 | 99.7 Ų | 99.7 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | trans | -50.5 | 138.7 | 166 | -69.4 | 171.4 | 0 | 0 | 0 | 110.1 | K312 | K312-L314 PolarHBondContact O-N 3.05Š| ||
| 315 | P | 32.3 | Very low | 48.8 | Very low | 100 Ų | 100 | 108.6 Ų | 108.6 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | trans | -70.7 | 134.6 | -167.9 | 29.1 | -33.4 | 0 | 0 | 0 | 112.3 | ||||
| 316 | F | 28.2 | Very low | 45.8 | Very low | 183 Ų | 183 | 114.7 Ų | 114.7 | 80% | 0.803 | 61% | 0.607 | S | S | * | * | trans | 57.5 | 123.7 | 152.7 | -89.2 | -100 | 0 | 0 | 0 | 120 | ||||
| 317 | L | 26.8 | Very low | 42.8 | Very low | 152 Ų | 152 | 116.2 Ų | 116.2 | 80% | 0.796 | 62% | 0.616 | S | S | * | * | -146.9 | 147.1 | 98.1 | -88.1 | 175.5 | 0 | 0 | 0 | 110 | |||||
| 318 | P | 25.9 | Very low | 39.9 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 58% | 0.584 | 64% | 0.638 | S | S | * | * | trans | -86.8 | 170.7 | -163.2 | 36 | -34.2 | 0 | 0 | 0 | 113.6 | ||||
| 319 | S | 22.9 | Very low | 37.2 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | trans | 73.7 | 82.3 | 166.5 | 64.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 320 | L | 26.2 | Very low | 34.7 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -127.9 | 95.9 | 130.3 | -78.1 | 177.8 | 0 | 0 | 0 | 107.7 | ||||
| 321 | Q | 23.5 | Very low | 32.4 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | trans | -55.6 | 139.5 | 159.6 | -72.5 | 175.7 | -51.1 | 0 | 0 | 108.1 | ||||
| 322 | S | 23.2 | Very low | 30.4 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | 68.4 | 80.2 | 167.7 | 70.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 323 | V | 25.7 | Very low | 29 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | trans | -130.9 | 98.1 | 141.5 | -169.2 | 0 | 0 | 0 | 0 | 107.9 | F325 | V323-F325 PolarHBondContact O-N 3.19Š| ||
| 324 | S | 22.9 | Very low | 28.1 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -55.3 | 118.3 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | K326 | S324-K326 PolarHBondContact O-N 2.83Š| ||
| 325 | F | 24.4 | Very low | 27.9 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | trans | -65.1 | 86.9 | 170.5 | -124.2 | -96.5 | 0 | 0 | 0 | 108 | V323 M327 | V323-F325 PolarHBondContact O-N 3.19Å; F325-M327 VanDerWaalsContact C-N 3.25Å; F325-M327 PolarHBondContact O-N 2.97Å | ||
| 326 | K | 25.1 | Very low | 27.9 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -69.8 | 92.9 | 161.9 | -99.6 | 178.2 | 177.4 | 171.6 | 0 | 106.7 | S324 K328 | S324-K326 PolarHBondContact O-N 2.83Å; K326-K328 PolarHBondContact O-N 3.43Å | ||
| 327 | M | 24.7 | Very low | 28.5 | Very low | 164 Ų | 164 | 146 Ų | 146 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -59.3 | 89.9 | 162.5 | -138.9 | 163.7 | 92 | 0 | 0 | 106.6 | F325 T329 | F325-M327 VanDerWaalsContact C-N 3.25Å; F325-M327 PolarHBondContact O-N 2.97Å; M327-T329 VanDerWaalsContact C-N 3.34Å; M327-T329 PolarHBondContact O-N 3.22Å | ||
| 328 | K | 26.8 | Very low | 29.1 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -72.2 | 98.7 | 168.7 | -81.6 | -176 | 178.3 | 178.8 | 0 | 106.2 | K326 F330 | K326-K328 PolarHBondContact O-N 3.43Å; K328-F330 PolarHBondContact O-N 2.83Å; K328-F330 VanDerWaalsContact O-N 3.07Å | ||
| 329 | T | 29 | Very low | 29.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -52.4 | 109.3 | 158.7 | 47.4 | 0 | 0 | 0 | 0 | 107.2 | M327 D331 | M327-T329 VanDerWaalsContact C-N 3.34Å; M327-T329 PolarHBondContact O-N 3.22Å; T329-D331 PolarHBondContact O-N 2.88Å | ||
| 330 | F | 27.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -77.1 | 118.6 | 173.1 | -125.8 | -93.2 | 0 | 0 | 0 | 107.8 | K328 F332 | K328-F330 PolarHBondContact O-N 2.83Å; K328-F330 VanDerWaalsContact O-N 3.07Å; F330-F332 PolarHBondContact O-N 2.99Å | ||
| 331 | D | 30.7 | Very low | 31.1 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 112.8 | 176.1 | -146.1 | -44.9 | 0 | 0 | 0 | 108.2 | T329 S333 | T329-D331 PolarHBondContact O-N 2.88Å; D331-S333 PolarHBondContact O-N 2.99Å; D331-S333 VanDerWaalsContact O-N 3.09Å; D331-S333 PolarHBondContact OD1-OG 3.18Å | ||
| 332 | F | 34.7 | Very low | 31.7 | Very low | 211 Ų | 211 | 143.2 Ų | 143.2 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 21.3 | -174.4 | -112 | -88.8 | 0 | 0 | 0 | 113.2 | F330 | F330-F332 PolarHBondContact O-N 2.99Š|
| 333 | S | 38.2 | Very low | 32.3 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 57% | 0.573 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 0.2 | -170.3 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | D331 | D331-S333 PolarHBondContact O-N 2.99Å; D331-S333 VanDerWaalsContact O-N 3.09Å; D331-S333 PolarHBondContact OD1-OG 3.18Å |
| 334 | L | 35 | Very low | 32.7 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -140.8 | 75.6 | -171.6 | -77.3 | 153.6 | 0 | 0 | 0 | 113.2 | ||
| 335 | C | 32.5 | Very low | 33.2 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -178.4 | 110.3 | 143.9 | -103.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 336 | P | 32.3 | Very low | 33.8 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -98.6 | 97.4 | 166.8 | 33.5 | -21.2 | 0 | 0 | 0 | 108.9 | ||||
| 337 | M | 39.7 | Very low | 34.4 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -157.4 | 96.1 | 165.4 | -82 | -48.8 | -144 | 0 | 0 | 112.1 | ||||
| 338 | I | 39.1 | Very low | 34.9 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | 8 | 112 | 144.7 | -55.5 | 166.5 | 0 | 0 | 0 | 116.3 | ||||
| 339 | C | 32.6 | Very low | 35.3 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | trans | -92.1 | 118.2 | 160.8 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | I341 | C339-I341 PolarHBondContact O-N 3.27Š| ||
| 340 | N | 37.8 | Very low | 35.6 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -99.5 | 35.7 | -172.5 | -146.1 | -2.6 | 0 | 0 | 0 | 112.6 | ||||
| 341 | I | 46.8 | Very low | 35.7 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -120.2 | -17.9 | -169.4 | -63 | 179 | 0 | 0 | 0 | 113.2 | C339 | C339-I341 PolarHBondContact O-N 3.27Š|
| 342 | C | 37 | Very low | 35.6 | Very low | 89 Ų | 89 | 138 Ų | 138 | 60% | 0.601 | 78% | 0.782 | S | S | * | * | trans | -133.8 | 104.4 | 176.1 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | L344 | C342-L344 PolarHBondContact O-N 3.09Š| ||
| 343 | G | 35.1 | Very low | 35.5 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 95% | 0.948 | 77% | 0.771 | S | S | * | * | trans | -68.6 | 47.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 344 | L | 34.9 | Very low | 35.2 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -104.5 | 113.6 | 175.9 | -77.3 | 166 | 0 | 0 | 0 | 110.4 | C342 | C342-L344 PolarHBondContact O-N 3.09Š| ||
| 345 | F | 32.4 | Very low | 35.3 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -74.2 | 115.8 | 179.7 | -155.9 | -99.3 | 0 | 0 | 0 | 109.8 | ||||
| 346 | V | 37.6 | Very low | 35.3 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | trans | -97.6 | 119.5 | 168.4 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 347 | P | 38.1 | Very low | 35.1 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 60% | 0.597 | 78% | 0.783 | S | S | * | * | trans | -69.9 | 141.6 | -175.3 | 25.8 | -32 | 0 | 0 | 0 | 112.7 | N349 | P347-N349 PolarHBondContact O-N 3.31Š| ||
| 348 | S | 34.5 | Very low | 34.7 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -71.5 | 30.3 | -165.1 | -34.5 | 0 | 0 | 0 | 0 | 117 | ||
| 349 | N | 35.2 | Very low | 34.3 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -141.6 | 36.9 | -166.9 | -136.5 | -1.8 | 0 | 0 | 0 | 117.3 | P347 | P347-N349 PolarHBondContact O-N 3.31Š| ||
| 350 | V | 34.8 | Very low | 34.2 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -106.5 | 98.8 | 172.1 | -174 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 351 | R | 31.4 | Very low | 33.8 | Very low | 227 Ų | 227 | 140.9 Ų | 140.9 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -76.9 | 122.2 | 168.6 | -83.3 | 179.7 | 175.8 | -176.1 | -1.5 | 109.9 | ||||
| 352 | S | 29.1 | Very low | 33.1 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 38.7 | 88.3 | 141.5 | 179 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 353 | T | 32.7 | Very low | 32.8 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | trans | -143.9 | 141.2 | 140.4 | 44.5 | 0 | 0 | 0 | 0 | 108.9 | E355 | T353-E355 PolarHBondContact O-N 3.27Š| ||
| 354 | K | 31.3 | Very low | 32.8 | Very low | 217 Ų | 217 | 145.8 Ų | 145.8 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | trans | -68.4 | 76.3 | 178.1 | -68.4 | 174.6 | 176.6 | 175.7 | 0 | 109.4 | ||||
| 355 | E | 36.9 | Very low | 32.5 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -131.7 | 126.8 | 175.8 | -71.1 | -173.1 | 163.1 | 0 | 0 | 110.9 | T353 L357 | T353-E355 PolarHBondContact O-N 3.27Å; E355-L357 PolarHBondContact O-N 3.34Å | ||
| 356 | T | 32.6 | Very low | 32.7 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -55 | 110.5 | -172 | -43.6 | 0 | 0 | 0 | 0 | 111.9 | V358 | T356-V358 HydrophobicContact CG2-CG2 3.43Å; T356-V358 VanDerWaalsContact CG2-CG2 3.43Å; T356-V358 PolarHBondContact O-N 3.13Å | ||
| 357 | L | 28.4 | Very low | 32.4 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 82.1 | 160 | -96.7 | 160.4 | 0 | 0 | 0 | 108.6 | E355 I359 | E355-L357 PolarHBondContact O-N 3.34Å; L357-I359 VanDerWaalsContact C-N 3.27Å; L357-I359 HydrophobicContact CB-CG1 4.48Å; L357-I359 HydrophobicContact CD2-CD1 4.38Å; L357-I359 HydrophobicContact CD2-CG1 4.01Å; L357-I359 PolarHBondContact O-N 2.84Å; L357-I359 VanDerWaalsContact O-N 3.11Å | ||
| 358 | V | 30.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 62% | 0.618 | 78% | 0.783 | S | S | * | * | trans | -76.2 | 86.3 | 162.4 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | T356 F360 | T356-V358 HydrophobicContact CG2-CG2 3.43Å; T356-V358 VanDerWaalsContact CG2-CG2 3.43Å; T356-V358 PolarHBondContact O-N 3.13Å; V358-F360 PolarHBondContact O-N 3.31Å | ||
| 359 | I | 30.9 | Very low | 32.1 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 59% | 0.59 | 78% | 0.778 | S | S | * | * | trans | -75.1 | 109.7 | 170.5 | -60.8 | 178.1 | 0 | 0 | 0 | 107.3 | L357 F361 | L357-I359 VanDerWaalsContact C-N 3.27Å; L357-I359 HydrophobicContact CB-CG1 4.48Å; L357-I359 HydrophobicContact CD2-CD1 4.38Å; L357-I359 HydrophobicContact CD2-CG1 4.01Å; L357-I359 PolarHBondContact O-N 2.84Å; L357-I359 VanDerWaalsContact O-N 3.11Å; I359-F361 HydrophobicContact CG2-CD2 3.73Å; I359-F361 HydrophobicContact CG2-CE2 3.58Å; I359-F361 PolarHBondContact O-N 3.41Å; I359-F361 VanDerWaalsContact O-N 3.17Å | ||
| 360 | F | 29.3 | Very low | 31.9 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 69% | 0.689 | 78% | 0.781 | S | S | * | * | trans | -57.2 | 108.6 | 170.1 | -83.2 | -101.3 | 0 | 0 | 0 | 110.5 | V358 | V358-F360 PolarHBondContact O-N 3.31Š| ||
| 361 | F | 30.5 | Very low | 31.6 | Very low | 183 Ų | 183 | 146 Ų | 146 | 80% | 0.803 | 78% | 0.783 | S | S | * | * | trans | -120.8 | 73.6 | 159.5 | -85 | -79.8 | 0 | 0 | 0 | 108.6 | I359 | I359-F361 HydrophobicContact CG2-CD2 3.73Å; I359-F361 HydrophobicContact CG2-CE2 3.58Å; I359-F361 PolarHBondContact O-N 3.41Å; I359-F361 VanDerWaalsContact O-N 3.17Å | ||
| 362 | F | 31 | Very low | 31.7 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 77% | 0.768 | 77% | 0.769 | S | S | * | * | trans | -135.3 | 123 | 162 | -105.9 | -95.8 | 0 | 0 | 0 | 105.8 | ||||
| 363 | L | 30.6 | Very low | 31.8 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 88.9 | 69.1 | -179.1 | -46.9 | 177.2 | 0 | 0 | 0 | 116.8 | ||
| 364 | A | 35.6 | Very low | 31.6 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -161.7 | 120.3 | 133.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | E366 | A364-E366 PolarHBondContact O-N 3.49Š| ||
| 365 | G | 28.4 | Very low | 31.4 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -61.9 | 129.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 366 | E | 37.8 | Very low | 31.1 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -165.1 | 131.1 | 150.6 | -110.6 | 161.8 | -155.2 | 0 | 0 | 111 | A364 A368 | A364-E366 PolarHBondContact O-N 3.49Å; E366-A368 PolarHBondContact O-N 3.05Å | ||
| 367 | T | 30.3 | Very low | 31 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | trans | -53.5 | 105.2 | 171.7 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 368 | A | 32 | Very low | 31 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -138.9 | 24.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | E366 | E366-A368 PolarHBondContact O-N 3.05Š| ||
| 369 | A | 33.7 | Very low | 31 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -120.7 | 43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 370 | Y | 32.4 | Very low | 30.9 | Very low | 214 Ų | 214 | 144 Ų | 144 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -153.7 | 74.4 | 165.8 | -88.5 | -84.8 | 0 | 0 | 0 | 108.5 | P372 | Y370-P372 VanDerWaalsContact C-CD 3.46Å; Y370-P372 WeakPolarHBondContact O-CD 3.49Å | ||
| 371 | L | 28.9 | Very low | 31.1 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -109.5 | 88.9 | 162.6 | -83.3 | 172.5 | 0 | 0 | 0 | 109.2 | ||||
| 372 | P | 32.3 | Very low | 31 | Very low | 86 Ų | 86 | 144 Ų | 144 | 56% | 0.558 | 80% | 0.795 | S | S | * | * | trans | -81.9 | 122.1 | 158.6 | 32.5 | -25.2 | 0 | 0 | 0 | 108.3 | Y370 L374 | Y370-P372 VanDerWaalsContact C-CD 3.46Å; Y370-P372 WeakPolarHBondContact O-CD 3.49Å; P372-L374 PolarHBondContact O-N 2.83Å | ||
| 373 | R | 30.6 | Very low | 30.9 | Very low | 220 Ų | 220 | 145 Ų | 145 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 22.4 | 72.9 | 143.7 | -64.1 | -178.3 | 165.9 | -171.9 | -4.1 | 117 | ||
| 374 | L | 28.9 | Very low | 30.9 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | trans | -142.7 | 80.8 | 165.3 | -84.4 | 168.1 | 0 | 0 | 0 | 109.5 | P372 | P372-L374 PolarHBondContact O-N 2.83Š| ||
| 375 | C | 27.2 | Very low | 30.6 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -134.6 | 59.6 | 166.2 | -157.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 376 | V | 31.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -154.7 | 129.2 | 163.7 | -172.3 | 0 | 0 | 0 | 0 | 106.8 | ||
| 377 | H | 29.6 | Very low | 30 | Very low | 179 Ų | 179 | 151.5 Ų | 151.5 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 79.9 | 71.7 | 174.8 | -68.8 | -52.8 | 0 | 0 | 0 | 119.3 | ||||
| 378 | A | 28.5 | Very low | 29.9 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -129.8 | 69.1 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 379 | Q | 31.1 | Very low | 29.8 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -142.5 | 135.4 | 164.6 | -79.6 | -176.5 | -14.6 | 0 | 0 | 107.1 | ||||
| 380 | N | 29.8 | Very low | 29.4 | Very low | 153 Ų | 153 | 157 Ų | 157 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 87.4 | 89.3 | -177.4 | -56.9 | -19.7 | 0 | 0 | 0 | 114.1 | ||||
| 381 | S | 31.6 | Very low | 29.1 | Very low | 103 Ų | 103 | 155 Ų | 155 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | 95.1 | 102.5 | 91.6 | 63 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 382 | R | 28.7 | Very low | 29 | Very low | 235 Ų | 235 | 153.5 Ų | 153.5 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | 37.4 | 114.3 | 97.3 | -69 | -168.8 | -173.5 | -167.7 | 3 | 111.9 | |||||
| 383 | F | 29.9 | Very low | 29.1 | Very low | 196 Ų | 196 | 160.9 Ų | 160.9 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | 156.8 | 105 | 142.6 | -101.4 | -96.4 | 0 | 0 | 0 | 107.4 | ||||
| 384 | F | 29.4 | Very low | 29 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 70% | 0.697 | 81% | 0.811 | S | S | * | * | 67.2 | 100.9 | 98.8 | -110.8 | -103.2 | 0 | 0 | 0 | 111.7 | |||||
| 385 | E | 30 | Very low | 29 | Very low | 148 Ų | 148 | 159.4 Ų | 159.4 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | 76.4 | 136.8 | 104.3 | -79.7 | -159.7 | 149.9 | 0 | 0 | 114.3 | |||||
| 386 | R | 26.5 | Very low | 29.1 | Very low | 210 Ų | 210 | 160.9 Ų | 160.9 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | 0.1 | 131.9 | 160.3 | -68.5 | 169.5 | 173.3 | 151 | -3.7 | 115.5 | ||||
| 387 | N | 28 | Very low | 29 | Very low | 136 Ų | 136 | 163.6 Ų | 163.6 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | -173.8 | 129.8 | 111.6 | -85.9 | -38.9 | 0 | 0 | 0 | 111.2 | L389 | N387-L389 HydrophobicContact CB-CD1 4.47Å; N387-L389 HydrophobicContact CB-CG 4.06Å; N387-L389 PolarHBondContact O-N 2.81Å | |||
| 388 | V | 27.2 | Very low | 29 | Very low | 137 Ų | 137 | 162.7 Ų | 162.7 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | trans | -54.7 | 116.7 | 147.3 | 170.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 389 | L | 30.9 | Very low | 29 | Very low | 154 Ų | 154 | 166.5 Ų | 166.5 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -129.4 | 102.4 | 167.1 | -75.8 | 174.2 | 0 | 0 | 0 | 108.2 | N387 | N387-L389 HydrophobicContact CB-CD1 4.47Å; N387-L389 HydrophobicContact CB-CG 4.06Å; N387-L389 PolarHBondContact O-N 2.81Å | ||
| 390 | L | 24.6 | Very low | 28.8 | Very low | 151 Ų | 151 | 166.4 Ų | 166.4 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -74.8 | 127.4 | 144 | -70.1 | 163.3 | 0 | 0 | 0 | 105.9 | ||||
| 391 | M | 26.6 | Very low | 28.8 | Very low | 172 Ų | 172 | 167.4 Ų | 167.4 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | 163.3 | 114 | 140.2 | -91.1 | -177.4 | 168.3 | 0 | 0 | 112.3 | ||||
| 392 | N | 26.7 | Very low | 28.5 | Very low | 135 Ų | 135 | 172.8 Ų | 172.8 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | 36.6 | 106.8 | 133.5 | -55.5 | -18.9 | 0 | 0 | 0 | 119.4 | ||||
| 393 | D | 33.9 | Very low | 28.5 | Very low | 240 Ų | 240 | 167.1 Ų | 167.1 | 100% | 1.283 | 82% | 0.823 | S | S | * | * | -160.6 | 0 | 92.8 | -95 | -26.4 | 0 | 0 | 0 | 110.3 |
Retrieved 393 of 393 residues in 256.8 ms
(Link to these results)