| 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 | 36.4 | Very low | 41.8 | Very low | 231 Ų | 231 | 144.5 Ų | 144.5 | 100% | 1.138 | 81% | 0.808 | S | S | * | * | 0 | 137 | 0 | -85.2 | 179.1 | 166.5 | 0 | 0 | 107.2 | |||||
| 2 | L | 39.2 | Very low | 42.3 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | trans | 45 | 147.3 | 158 | -75.9 | 67.1 | 0 | 0 | 0 | 118.4 | ||||
| 3 | E | 40.6 | Very low | 41.9 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | cis | 176.7 | -178.8 | -27.2 | -120.1 | -171.8 | 97.4 | 0 | 0 | 105.3 | ||||
| 4 | H | 50.2 | Low | 41.5 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -69.5 | 174.7 | -176.7 | -75.5 | -64.1 | 0 | 0 | 0 | 113.7 | ||||
| 5 | P | 62.8 | Low | 41 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | cis | -157.2 | 169.6 | 36.6 | 46.3 | -23.9 | 0 | 0 | 0 | 122.8 | ||||
| 6 | S | 42.7 | Very low | 40.7 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 42.3 | 128.1 | 141.1 | 67 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 7 | G | 34.4 | Very low | 40.9 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -171.1 | 145.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 8 | S | 39.4 | Very low | 40.5 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -150.2 | 141.7 | -177.4 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 9 | R | 38.2 | Very low | 41 | Very low | 220 Ų | 220 | 134.7 Ų | 134.7 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | 165.2 | 142 | 130.3 | -93.1 | 179.9 | 133.9 | 138.8 | 5.5 | 116.4 | ||||
| 10 | D | 36.6 | Very low | 40.5 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | 54.7 | 115.2 | 135.8 | -53.6 | -34.9 | 0 | 0 | 0 | 123.3 | ||||
| 11 | S | 38.9 | Very low | 40.2 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 69.6 | 120.5 | 132.5 | -57.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 12 | P | 48.5 | Very low | 40.2 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 142.4 | 152.2 | 35.2 | -30.3 | 0 | 0 | 0 | 112.3 | ||
| 13 | T | 37.3 | Very low | 39.8 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 152.7 | -175 | 43.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 14 | S | 36.4 | Very low | 39.7 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 147.5 | 174.6 | 52.5 | 0 | 0 | 0 | 0 | 117.3 | ||
| 15 | C | 32.9 | Very low | 39 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -138.5 | 117.4 | 153.6 | -81.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 16 | S | 36.8 | Very low | 37.6 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -161 | 132.9 | 163.8 | -73.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 17 | P | 44.8 | Very low | 37.3 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -139.9 | 142.4 | 94.6 | 19.4 | 3.3 | 0 | 0 | 0 | 113.5 | |||||
| 18 | S | 32.7 | Very low | 37.4 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | 87.6 | 175 | 74 | -49.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 19 | P | 50.5 | Low | 37.3 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -135.4 | 164 | -73.6 | 40.6 | -26.3 | 0 | 0 | 0 | 115.6 | |||||
| 20 | E | 31.2 | Very low | 37.3 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -167.3 | 164.6 | 160.3 | -97.9 | -60.3 | 42.2 | 0 | 0 | 108.9 | ||||
| 21 | Y | 33.4 | Very low | 37.1 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 66% | 0.659 | 80% | 0.797 | S | S | * | * | cis | -156.3 | 131.2 | -8.9 | 171 | -99.7 | 0 | 0 | 0 | 109.1 | ||||
| 22 | Y | 36.3 | Very low | 37.3 | Very low | 196 Ų | 196 | 128 Ų | 128 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 50.1 | 140.9 | 168.1 | -92.6 | -109.7 | 0 | 0 | 0 | 122.3 | ||||
| 23 | G | 31.5 | Very low | 36.9 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 159 | 79.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 24 | S | 38.3 | Very low | 36.9 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -83.3 | 142.8 | -165.8 | -52.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 25 | G | 34.5 | Very low | 37.1 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 100.8 | 133.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 26 | G | 33.7 | Very low | 37.3 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | cis | -172.4 | 167.8 | -2.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 27 | Y | 36.3 | Very low | 37.2 | Very low | 202 Ų | 202 | 137.1 Ų | 137.1 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -40.9 | 159.3 | 167.3 | 58.2 | -90.6 | 0 | 0 | 0 | 115.1 | ||||
| 28 | H | 37.2 | Very low | 37 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | cis | -144.3 | 139.7 | 19.6 | -97.1 | 146.2 | 0 | 0 | 0 | 109.6 | ||||
| 29 | M | 37.3 | Very low | 37.4 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | 72.7 | 121.5 | 85.1 | -69.8 | -67.5 | -174.5 | 0 | 0 | 118.6 | |||||
| 30 | A | 37.8 | Very low | 36.8 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | 63.4 | 132.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 31 | G | 33.1 | Very low | 37.3 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | 171.7 | 57.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 32 | S | 43.8 | Very low | 38 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -80 | 128 | -174.6 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 33 | H | 38.2 | Very low | 38.7 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -144.5 | 150.3 | 157.4 | -121.3 | -95.3 | 0 | 0 | 0 | 110.8 | ||||
| 34 | S | 37.9 | Very low | 39.8 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -111.5 | 150 | -165.8 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 35 | M | 41.5 | Very low | 40.1 | Very low | 175 Ų | 175 | 133 Ų | 133 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | trans | 54.8 | 111 | 159.2 | -56.7 | -67.8 | -174.9 | 0 | 0 | 118.2 | ||||
| 36 | L | 35.8 | Very low | 40.9 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | 172.7 | 148 | 114.6 | -93 | 163.6 | 0 | 0 | 0 | 112.1 | |||||
| 37 | H | 35.3 | Very low | 41.9 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 44.9 | 138.2 | 162.3 | -87.7 | 115.5 | 0 | 0 | 0 | 122.2 | ||||
| 38 | G | 39.7 | Very low | 42.8 | Very low | 61 Ų | 61 | 144.3 Ų | 144.3 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | 71.1 | 138.3 | 118.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 39 | E | 41.3 | Very low | 44.1 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 53.9 | 64.7 | 157.8 | -63.2 | -164 | 66.6 | 0 | 0 | 118.6 | ||||
| 40 | Q | 38.8 | Very low | 45.4 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -125.3 | 72.6 | 156.5 | -72.2 | -164.6 | 53 | 0 | 0 | 112.5 | ||||
| 41 | S | 40.8 | Very low | 47.6 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -153.2 | 20.3 | 167.5 | -165.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 42 | S | 49.3 | Very low | 50.2 | Low | 79 Ų | 79 | 145.8 Ų | 145.8 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -106.2 | -19.5 | -167.9 | 47.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 43 | V | 50.4 | Low | 52.5 | Low | 126 Ų | 126 | 143.1 Ų | 143.1 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -119.9 | -2 | -161 | -88.9 | 0 | 0 | 0 | 0 | 118.5 | ||
| 44 | L | 54.1 | Low | 55.2 | Low | 177 Ų | 177 | 137.5 Ų | 137.5 | 93% | 0.927 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -115.6 | 34.9 | -174.9 | -70.2 | 179.9 | 0 | 0 | 0 | 116.2 | ||
| 45 | C | 44.6 | Very low | 57.9 | Low | 64 Ų | 64 | 135 Ų | 135 | 43% | 0.432 | 70% | 0.703 | S | S | . | * | trans | -124.9 | 11.1 | 177.8 | 51.4 | 0 | 0 | 0 | 0 | 116.4 | R47 R104 | C45-R47 PolarHBondContact O-N 2.88Å; C45-R104 PolarHBondContact SG-NH1 3.16Å; C45-R104 VanDerWaalsContact SG-NH1 3.4Å | ||
| 46 | N | 51.7 | Low | 60.4 | Low | 162 Ų | 162 | 130.4 Ų | 130.4 | 87% | 0.866 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 31 | -171.8 | -124.1 | 50.6 | 0 | 0 | 0 | 116.5 | ||
| 47 | R | 55.7 | Low | 63.3 | Low | 242 Ų | 242 | 123 Ų | 123 | 91% | 0.913 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.5 | 11 | 173.6 | -133 | 169.8 | -66 | 177.5 | 2.7 | 117.5 | C45 | C45-R47 PolarHBondContact O-N 2.88Š|
| 48 | K | 54.9 | Low | 66.2 | Low | 185 Ų | 185 | 118.8 Ų | 118.8 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -94.6 | 151.3 | 161.8 | -109 | 74.5 | 173.9 | -169.9 | 0 | 108.4 | ||
| 49 | R | 64.3 | Low | 68.8 | Low | 237 Ų | 237 | 116.1 Ų | 116.1 | 89% | 0.894 | 61% | 0.608 | S | S | * | * | trans | -55.4 | 144.6 | 166.7 | -63.2 | 177.1 | -178.5 | 173.8 | -0.4 | 108.3 | V51 | R49-V51 PolarHBondContact O-N 3.14Š| ||
| 50 | S | 64.6 | Low | 71.3 | Confident | 102 Ų | 102 | 112.1 Ų | 112.1 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | trans | -62.5 | 95.1 | -179.1 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 51 | V | 84.1 | Confident | 73.9 | Confident | 110 Ų | 110 | 104.5 Ų | 104.5 | 67% | 0.667 | 57% | 0.566 | S | S | * | * | trans | -65.5 | 136.1 | 174.7 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | R49 M53 | R49-V51 PolarHBondContact O-N 3.14Å; V51-M53 PolarHBondContact O-N 3.39Å | ||
| 52 | N | 87.6 | Confident | 76.4 | Confident | 107 Ų | 107 | 102.6 Ų | 102.6 | 57% | 0.572 | 55% | 0.553 | S | S | * | * | trans | -65.9 | 112.8 | 173.8 | 49.7 | -28.9 | 0 | 0 | 0 | 110 | T101 G102 | N52-T101 HydrophobicContact CB-CG2 4.21Å; N52-G102 CarbonylContact C-O 3.43Å; N52-G102 VanDerWaalsContact CA-O 3.23Å; N52-G102 WeakPolarHBondContact CA-O 3.35Å | ||
| 53 | M | 91.6 | Very high | 78.4 | Confident | 58 Ų | 58 | 104.4 Ų | 104.4 | 29% | 0.286 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.5 | 146.5 | 174.2 | -161.3 | 167.5 | 84.1 | 0 | 0 | 108.8 | V51 T101 G102 R104 V107 | V51-M53 PolarHBondContact O-N 3.39Å; M53-T101 VanDerWaalsContact O-CA 3.3Å; M53-T101 WeakPolarHBondContact O-CA 3.48Å; M53-G102 PolarHBondContact N-O 3.07Å; M53-G102 PolarHBondContact O-N 3.28Å; M53-R104 HydrophobicContact CE-CG 4.07Å; M53-R104 HydrophobicContact SD-CB 4.32Å; M53-R104 HydrophobicContact SD-CG 4.01Å; M53-V107 HydrophobicContact CE-CB 4.09Å; M53-V107 HydrophobicContact CE-CG1 3.76Å |
| 54 | T | 94.6 | Very high | 80.5 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.1 | 170.8 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | I99 V100 T101 | T54-I99 HydrophobicContact CG2-CG2 3.54Å; T54-V100 CarbonylContact C-O 3.59Å; T54-V100 VanDerWaalsContact CA-O 3.25Å; T54-V100 WeakPolarHBondContact CA-O 3.39Å; T54-T101 WeakPolarHBondContact CG2-OG1 3.23Å; T54-T101 WeakPolarHBondContact OG1-CG2 3.36Å; T54-T101 PolarHBondContact OG1-OG1 3.39Å |
| 55 | E | 95.3 | Very high | 82.4 | Confident | 52 Ų | 52 | 91.3 Ų | 91.3 | 24% | 0.243 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148.7 | -177.3 | -169.1 | 165.3 | -163 | 0 | 0 | 111.2 | V100 V107 K111 | E55-V100 PolarHBondContact N-O 3.32Å; E55-V100 PolarHBondContact O-N 3.06Å; E55-V107 HydrophobicContact CB-CG1 3.75Å; E55-K111 HydrophobicContact CG-CD 4.24Å; E55-K111 WeakPolarHBondContact OE1-CD 3.29Å; E55-K111 WeakPolarHBondContact OE1-CE 3.32Å; E55-K111 IonicContact OE1-NZ 3.6Å; E55-K111 PolarHBondContact OE1-NZ 2.88Å; E55-K111 WeakPolarHBondContact OE2-CD 3.46Å; E55-K111 IonicContact OE2-NZ 3.46Å; E55-K111 PolarHBondContact OE2-NZ 3.32Å |
| 56 | C | 94.8 | Very high | 84.8 | Confident | 79 Ų | 79 | 91.1 Ų | 91.1 | 53% | 0.534 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.8 | 179.9 | -65.7 | 0 | 0 | 0 | 0 | 109.7 | V97 F98 | C56-V97 HydrophobicContact CB-CG1 3.76Å; C56-F98 WeakPolarHBondContact CA-O 3.2Å |
| 57 | V | 96.4 | Very high | 86.8 | Confident | 2 Ų | 2 | 86.6 Ų | 86.6 | 1% | 0.012 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 100.5 | -175.6 | -170.7 | 0 | 0 | 0 | 0 | 109 | F98 V100 K111 I114 V115 | V57-F98 HydrophobicContact CB-CB 4.4Å; V57-F98 PolarHBondContact N-O 3.16Å; V57-F98 PolarHBondContact O-N 3.14Å; V57-V100 HydrophobicContact CG2-CG2 3.86Å; V57-K111 HydrophobicContact CG1-CG 4.41Å; V57-K111 HydrophobicContact CG2-CB 3.8Å; V57-K111 HydrophobicContact CG2-CD 4.45Å; V57-K111 HydrophobicContact CG2-CG 3.93Å; V57-I114 HydrophobicContact CB-CG2 4.33Å; V57-I114 HydrophobicContact CG1-CB 4.04Å; V57-I114 HydrophobicContact CG1-CG2 3.61Å; V57-V115 HydrophobicContact CG1-CG2 3.64Å |
| 58 | P | 95.4 | Very high | 88.6 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 146.7 | 178.4 | 31.2 | -34.7 | 0 | 0 | 0 | 111.3 | V97 | P58-V97 HydrophobicContact CB-CG2 4.34Å |
| 59 | V | 95.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.036 | 38% | 0.384 | C | S | . | . | trans | -130.5 | 140.4 | -178.7 | 168.7 | 0 | 0 | 0 | 0 | 109.2 | S61 H64 V65 I68 P96 F98 I114 A118 | V59-S61 PolarHBondContact O-N 3.2Å; V59-H64 HydrophobicContact CG1-CB 3.46Å; V59-H64 VanDerWaalsContact CG1-CB 3.46Å; V59-V65 HydrophobicContact CB-CG2 4.07Å; V59-V65 HydrophobicContact CG1-CG2 3.95Å; V59-I68 HydrophobicContact CG1-CD1 3.98Å; V59-I68 HydrophobicContact CG2-CD1 4.09Å; V59-P96 WeakPolarHBondContact CB-O 3.38Å; V59-P96 PolarHBondContact N-O 2.83Å; V59-P96 WeakPolarHBondContact O-CB 3.48Å; V59-P96 WeakPolarHBondContact O-CG 3.48Å; V59-F98 HydrophobicContact CG2-CD2 3.83Å; V59-F98 HydrophobicContact CG2-CE2 3.93Å; V59-I114 HydrophobicContact CG2-CG2 3.86Å; V59-A118 HydrophobicContact CG1-CB 3.99Å; V59-A118 HydrophobicContact CG2-CB 4.24Å | ||
| 60 | P | 93 | Very high | 92 | Very high | 97 Ų | 97 | 57.5 Ų | 57.5 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -63.9 | -16.2 | -166.4 | -26 | 35.8 | 0 | 0 | 0 | 116.9 | ||
| 61 | S | 92.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 63.4 Ų | 63.4 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | trans | -160 | 160 | 170 | 77.8 | 0 | 0 | 0 | 0 | 112.3 | V59 E63 H64 V65 | V59-S61 PolarHBondContact O-N 3.2Å; S61-E63 PolarHBondContact O-N 2.98Å; S61-E63 VanDerWaalsContact O-N 3.13Å; S61-E63 WeakPolarHBondContact OG-CB 3.49Å; S61-E63 PolarHBondContact OG-N 3.42Å; S61-H64 PolarHBondContact N-ND1 3.12Å; S61-H64 PolarHBondContact O-N 2.9Å; S61-H64 PolarHBondContact OG-N 3.01Å; S61-H64 PolarHBondContact OG-ND1 3.15Å; S61-V65 PolarHBondContact O-N 3.2Å | ||
| 62 | S | 93.1 | Very high | 93.6 | Very high | 61 Ų | 61 | 66.7 Ų | 66.7 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -14.6 | 173 | -36.3 | 0 | 0 | 0 | 0 | 113.3 | A66 | S62-A66 PolarHBondContact O-N 3.2Å |
| 63 | E | 92.8 | Very high | 93.9 | Very high | 118 Ų | 118 | 62.2 Ų | 62.2 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -80.9 | -41.3 | 176.1 | -142.7 | -161.7 | 142.4 | 0 | 0 | 111.4 | S61 V65 A66 E67 R125 | S61-E63 PolarHBondContact O-N 2.98Å; S61-E63 VanDerWaalsContact O-N 3.13Å; S61-E63 WeakPolarHBondContact OG-CB 3.49Å; S61-E63 PolarHBondContact OG-N 3.42Å; E63-V65 VanDerWaalsContact C-N 3.28Å; E63-V65 PolarHBondContact O-N 2.89Å; E63-A66 WeakPolarHBondContact O-CB 3.38Å; E63-A66 PolarHBondContact O-N 3.14Å; E63-A66 VanDerWaalsContact O-N 3.1Å; E63-E67 PolarHBondContact O-N 3.41Å; E63-R125 IonicContact OE1-CZ 2.69Å; E63-R125 IonicContact OE1-NH1 2.65Å; E63-R125 PolarHBondContact OE1-NH1 2.75Å; E63-R125 IonicContact OE1-NH2 3.24Å; E63-R125 PolarHBondContact OE1-NH2 3.08Å; E63-R125 IonicContact OE2-CZ 3.26Å; E63-R125 IonicContact OE2-NH1 3.42Å; E63-R125 PolarHBondContact OE2-NH1 3.37Å; E63-R125 IonicContact OE2-NH2 3.83Å |
| 64 | H | 93.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 63 Ų | 63 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 168.2 | -62.8 | 117.3 | 0 | 0 | 0 | 111.1 | V59 S61 A66 E67 I68 S122 R125 | V59-H64 HydrophobicContact CG1-CB 3.46Å; V59-H64 VanDerWaalsContact CG1-CB 3.46Å; S61-H64 PolarHBondContact N-ND1 3.12Å; S61-H64 PolarHBondContact O-N 2.9Å; S61-H64 PolarHBondContact OG-N 3.01Å; S61-H64 PolarHBondContact OG-ND1 3.15Å; H64-A66 VanDerWaalsContact C-N 3.29Å; H64-A66 PolarHBondContact O-N 2.95Å; H64-E67 PolarHBondContact O-N 3.18Å; H64-E67 VanDerWaalsContact O-N 3.17Å; H64-I68 WeakPolarHBondContact O-CB 3.24Å; H64-I68 WeakPolarHBondContact O-CD1 3.29Å; H64-I68 VanDerWaalsContact O-CG1 3.23Å; H64-I68 WeakPolarHBondContact O-CG1 3.4Å; H64-I68 PolarHBondContact O-N 2.94Å; H64-S122 PolarHBondContact NE2-OG 2.93Å; H64-R125 WeakPolarHBondContact NE2-CD 3.14Å |
| 65 | V | 94.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.2 | -44.3 | 171.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | V59 S61 E63 I68 V69 T89 P90 P96 F98 | V59-V65 HydrophobicContact CB-CG2 4.07Å; V59-V65 HydrophobicContact CG1-CG2 3.95Å; S61-V65 PolarHBondContact O-N 3.2Å; E63-V65 VanDerWaalsContact C-N 3.28Å; E63-V65 PolarHBondContact O-N 2.89Å; V65-I68 PolarHBondContact O-N 2.83Å; V65-V69 HydrophobicContact CG1-CG2 4.38Å; V65-V69 WeakPolarHBondContact O-CB 3.33Å; V65-V69 WeakPolarHBondContact O-CG2 3.27Å; V65-V69 PolarHBondContact O-N 3.36Å; V65-T89 HydrophobicContact CG1-CG2 4.3Å; V65-P90 HydrophobicContact CG1-CG 4.04Å; V65-P90 HydrophobicContact CG2-CG 4.44Å; V65-P96 HydrophobicContact CG2-CB 3.71Å; V65-F98 HydrophobicContact CB-CE2 4.35Å; V65-F98 HydrophobicContact CB-CZ 4.3Å; V65-F98 HydrophobicContact CG1-CE1 4.37Å; V65-F98 HydrophobicContact CG1-CE2 4.21Å; V65-F98 HydrophobicContact CG1-CZ 3.76Å; V65-F98 HydrophobicContact CG2-CE2 3.94Å; V65-F98 HydrophobicContact CG2-CZ 4.35Å |
| 66 | A | 93.9 | Very high | 94.2 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S62 E63 H64 V69 G70 | S62-A66 PolarHBondContact O-N 3.2Å; E63-A66 WeakPolarHBondContact O-CB 3.38Å; E63-A66 PolarHBondContact O-N 3.14Å; E63-A66 VanDerWaalsContact O-N 3.1Å; H64-A66 VanDerWaalsContact C-N 3.29Å; H64-A66 PolarHBondContact O-N 2.95Å; A66-V69 PolarHBondContact O-N 2.85Å; A66-G70 PolarHBondContact O-N 3.14Å |
| 67 | E | 93.8 | Very high | 94.3 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.2 | -34.6 | 176.3 | -73.9 | -177.5 | -179.8 | 0 | 0 | 113.4 | E63 H64 K75 F121 R125 | E63-E67 PolarHBondContact O-N 3.41Å; H64-E67 PolarHBondContact O-N 3.18Å; H64-E67 VanDerWaalsContact O-N 3.17Å; E67-K75 VanDerWaalsContact O-CD 3.32Å; E67-K75 WeakPolarHBondContact O-CD 3.26Å; E67-K75 PolarHBondContact O-NZ 2.96Å; E67-F121 HydrophobicContact CB-CD1 4.43Å; E67-F121 HydrophobicContact CB-CD2 3.91Å; E67-F121 HydrophobicContact CB-CE2 4.07Å; E67-F121 HydrophobicContact CB-CG 4.15Å; E67-F121 HydrophobicContact CB-CZ 4.44Å; E67-F121 WeakPolarHBondContact OE2-CB 3.37Å; E67-F121 WeakPolarHBondContact OE2-CD1 3.45Å; E67-F121 WeakPolarHBondContact OE2-CG 3.32Å; E67-R125 VanDerWaalsContact CD-NH2 3.26Å; E67-R125 IonicContact OE1-CZ 3.72Å; E67-R125 IonicContact OE1-NE 3.6Å; E67-R125 PolarHBondContact OE1-NE 3.14Å; E67-R125 IonicContact OE1-NH2 2.73Å; E67-R125 PolarHBondContact OE1-NH2 2.89Å; E67-R125 IonicContact OE2-CZ 2.73Å; E67-R125 IonicContact OE2-NE 2.72Å; E67-R125 PolarHBondContact OE2-NE 2.93Å; E67-R125 IonicContact OE2-NH2 2.85Å |
| 68 | I | 95 | Very high | 94.3 | Very high | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.5 | -41.1 | 173.3 | -66.8 | 162.9 | 0 | 0 | 0 | 110.7 | V59 H64 V65 K75 F98 I114 A117 A118 F121 | V59-I68 HydrophobicContact CG1-CD1 3.98Å; V59-I68 HydrophobicContact CG2-CD1 4.09Å; H64-I68 WeakPolarHBondContact O-CB 3.24Å; H64-I68 WeakPolarHBondContact O-CD1 3.29Å; H64-I68 VanDerWaalsContact O-CG1 3.23Å; H64-I68 WeakPolarHBondContact O-CG1 3.4Å; H64-I68 PolarHBondContact O-N 2.94Å; V65-I68 PolarHBondContact O-N 2.83Å; I68-K75 WeakPolarHBondContact O-CB 3.16Å; I68-F98 HydrophobicContact CB-CE2 4.4Å; I68-F98 HydrophobicContact CB-CZ 4.2Å; I68-F98 HydrophobicContact CD1-CE2 4.15Å; I68-F98 HydrophobicContact CG2-CE2 4.05Å; I68-F98 HydrophobicContact CG2-CZ 3.81Å; I68-I114 HydrophobicContact CD1-CG2 4.46Å; I68-A117 HydrophobicContact CG1-CB 4.11Å; I68-A118 HydrophobicContact CD1-CB 4Å; I68-F121 HydrophobicContact CG1-CD2 3.87Å; I68-F121 HydrophobicContact CG1-CE2 3.71Å |
| 69 | V | 95.7 | Very high | 94.3 | Very high | 28 Ų | 28 | 63 Ų | 63 | 17% | 0.17 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | 175.9 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | V65 A66 G73 K75 I76 T89 F98 | V65-V69 HydrophobicContact CG1-CG2 4.38Å; V65-V69 WeakPolarHBondContact O-CB 3.33Å; V65-V69 WeakPolarHBondContact O-CG2 3.27Å; V65-V69 PolarHBondContact O-N 3.36Å; A66-V69 PolarHBondContact O-N 2.85Å; V69-G73 CarbonylContact O-C 3.15Å; V69-G73 VanDerWaalsContact O-C 3.31Å; V69-G73 VanDerWaalsContact O-CA 3.32Å; V69-G73 WeakPolarHBondContact O-CA 3.27Å; V69-K75 PolarHBondContact O-N 2.99Å; V69-I76 HydrophobicContact CB-CG2 4.38Å; V69-I76 HydrophobicContact CG1-CG2 4.02Å; V69-I76 HydrophobicContact CG2-CG2 4.38Å; V69-I76 PolarHBondContact O-N 2.88Å; V69-T89 HydrophobicContact CG2-CG2 3.52Å; V69-F98 HydrophobicContact CG2-CE1 4.1Å; V69-F98 HydrophobicContact CG2-CZ 4.11Å |
| 70 | G | 93.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | trans | 74.9 | 168.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | A66 Q72 G73 | A66-G70 PolarHBondContact O-N 3.14Å; G70-Q72 PolarHBondContact O-N 3.44Å; G70-G73 PolarHBondContact O-N 3.4Å | ||
| 71 | R | 92.1 | Very high | 94.5 | Very high | 227 Ų | 227 | 65.2 Ų | 65.2 | 86% | 0.857 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -56.3 | 130.9 | 178.5 | -64.3 | -177.9 | 179.8 | -178.7 | -0.6 | 110.1 | G73 C74 | R71-G73 PolarHBondContact O-N 3.26Å; R71-C74 WeakPolarHBondContact O-CB 3.47Å; R71-C74 PolarHBondContact O-N 3.38Å; R71-C74 VanDerWaalsContact O-N 3.11Å; R71-C74 PolarHBondContact O-SG 3.21Å |
| 72 | Q | 91.6 | Very high | 94.7 | Very high | 179 Ų | 179 | 69.3 Ų | 69.3 | 84% | 0.836 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | 53.7 | 22.1 | -175.8 | -52.3 | -61.3 | 0.3 | 0 | 0 | 115.5 | G70 C74 K77 | G70-Q72 PolarHBondContact O-N 3.44Å; Q72-C74 PolarHBondContact O-N 3.48Å; Q72-K77 PolarHBondContact O-NZ 2.8Å |
| 73 | G | 93.4 | Very high | 94.8 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | 66.1 | 20.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V69 G70 R71 K75 I76 K77 | V69-G73 CarbonylContact O-C 3.15Å; V69-G73 VanDerWaalsContact O-C 3.31Å; V69-G73 VanDerWaalsContact O-CA 3.32Å; V69-G73 WeakPolarHBondContact O-CA 3.27Å; G70-G73 PolarHBondContact O-N 3.4Å; R71-G73 PolarHBondContact O-N 3.26Å; G73-K75 PolarHBondContact O-N 3.24Å; G73-I76 WeakPolarHBondContact O-CG2 3.44Å; G73-I76 PolarHBondContact O-N 3.28Å; G73-K77 WeakPolarHBondContact O-CB 3.39Å; G73-K77 WeakPolarHBondContact O-CD 3.47Å; G73-K77 VanDerWaalsContact O-CG 3.23Å; G73-K77 WeakPolarHBondContact O-CG 3.27Å; G73-K77 PolarHBondContact O-N 3.01Å |
| 74 | C | 95.8 | Very high | 94.9 | Very high | 75 Ų | 75 | 65.9 Ų | 65.9 | 51% | 0.507 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | -173.4 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | R71 Q72 A78 | R71-C74 WeakPolarHBondContact O-CB 3.47Å; R71-C74 PolarHBondContact O-N 3.38Å; R71-C74 VanDerWaalsContact O-N 3.11Å; R71-C74 PolarHBondContact O-SG 3.21Å; Q72-C74 PolarHBondContact O-N 3.48Å; C74-A78 WeakPolarHBondContact O-CB 3.42Å; C74-A78 PolarHBondContact O-N 3.42Å |
| 75 | K | 95.5 | Very high | 95 | Very high | 94 Ų | 94 | 65.4 Ų | 65.4 | 41% | 0.409 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.7 | -47.6 | 179.6 | -68 | -176.9 | -175.9 | 177.7 | 0 | 111.5 | E67 I68 V69 G73 K77 A78 L79 | E67-K75 VanDerWaalsContact O-CD 3.32Å; E67-K75 WeakPolarHBondContact O-CD 3.26Å; E67-K75 PolarHBondContact O-NZ 2.96Å; I68-K75 WeakPolarHBondContact O-CB 3.16Å; V69-K75 PolarHBondContact O-N 2.99Å; G73-K75 PolarHBondContact O-N 3.24Å; K75-K77 VanDerWaalsContact C-N 3.32Å; K75-K77 PolarHBondContact O-N 3.49Å; K75-A78 WeakPolarHBondContact O-CB 3.44Å; K75-A78 PolarHBondContact O-N 3.45Å; K75-A78 VanDerWaalsContact O-N 3.16Å; K75-L79 WeakPolarHBondContact O-CB 3.15Å; K75-L79 PolarHBondContact O-N 3.39Å |
| 76 | I | 96.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.9 | -31.7 | 179.5 | -166.7 | 64.4 | 0 | 0 | 0 | 112.3 | V69 G73 L79 R80 I87 F98 | V69-I76 HydrophobicContact CB-CG2 4.38Å; V69-I76 HydrophobicContact CG1-CG2 4.02Å; V69-I76 HydrophobicContact CG2-CG2 4.38Å; V69-I76 PolarHBondContact O-N 2.88Å; G73-I76 WeakPolarHBondContact O-CG2 3.44Å; G73-I76 PolarHBondContact O-N 3.28Å; I76-L79 HydrophobicContact CD1-CD2 4.24Å; I76-L79 PolarHBondContact O-N 3.3Å; I76-R80 WeakPolarHBondContact O-CB 3.44Å; I76-R80 VanDerWaalsContact O-CG 3.23Å; I76-R80 WeakPolarHBondContact O-CG 3.21Å; I76-R80 PolarHBondContact O-N 2.92Å; I76-I87 HydrophobicContact CD1-CB 4.1Å; I76-I87 HydrophobicContact CD1-CD1 3.77Å; I76-I87 HydrophobicContact CD1-CG2 3.88Å; I76-F98 HydrophobicContact CD1-CE1 4.31Å |
| 77 | K | 96.3 | Very high | 95.3 | Very high | 130 Ų | 130 | 69.4 Ų | 69.4 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.1 | -47.1 | 169.4 | -74.7 | 165.5 | -179.1 | 162.8 | 0 | 111.2 | Q72 G73 K75 A81 | Q72-K77 PolarHBondContact O-NZ 2.8Å; G73-K77 WeakPolarHBondContact O-CB 3.39Å; G73-K77 WeakPolarHBondContact O-CD 3.47Å; G73-K77 VanDerWaalsContact O-CG 3.23Å; G73-K77 WeakPolarHBondContact O-CG 3.27Å; G73-K77 PolarHBondContact O-N 3.01Å; K75-K77 VanDerWaalsContact C-N 3.32Å; K75-K77 PolarHBondContact O-N 3.49Å; K77-A81 WeakPolarHBondContact O-CB 3.3Å; K77-A81 PolarHBondContact O-N 3.22Å |
| 78 | A | 96.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 70.6 Ų | 70.6 | 49% | 0.488 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | C74 K75 A81 K82 | C74-A78 WeakPolarHBondContact O-CB 3.42Å; C74-A78 PolarHBondContact O-N 3.42Å; K75-A78 WeakPolarHBondContact O-CB 3.44Å; K75-A78 PolarHBondContact O-N 3.45Å; K75-A78 VanDerWaalsContact O-N 3.16Å; A78-A81 PolarHBondContact O-N 2.8Å; A78-K82 VanDerWaalsContact O-CB 3.3Å; A78-K82 WeakPolarHBondContact O-CB 3.42Å; A78-K82 PolarHBondContact O-N 3.11Å |
| 79 | L | 96.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.2 | -43 | 179.3 | -173.6 | 61.6 | 0 | 0 | 0 | 112.6 | K75 I76 A81 K82 T83 I87 E113 I114 | K75-L79 WeakPolarHBondContact O-CB 3.15Å; K75-L79 PolarHBondContact O-N 3.39Å; I76-L79 HydrophobicContact CD1-CD2 4.24Å; I76-L79 PolarHBondContact O-N 3.3Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.19Å; L79-K82 PolarHBondContact O-N 2.98Å; L79-T83 HydrophobicContact CD1-CG2 4.02Å; L79-T83 WeakPolarHBondContact O-CB 3.3Å; L79-T83 WeakPolarHBondContact O-CG2 3.39Å; L79-T83 PolarHBondContact O-N 3.15Å; L79-T83 PolarHBondContact O-OG1 3.41Å; L79-I87 HydrophobicContact CD2-CD1 4.05Å; L79-I87 HydrophobicContact CG-CD1 4.02Å; L79-E113 HydrophobicContact CD1-CB 4.03Å; L79-E113 HydrophobicContact CD1-CG 3.67Å; L79-E113 WeakPolarHBondContact CD1-OE2 3.31Å; L79-I114 HydrophobicContact CD2-CG1 3.79Å |
| 80 | R | 96.5 | Very high | 95.4 | Very high | 78 Ų | 78 | 71.7 Ų | 71.7 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 171.8 | -71.9 | 173.7 | -170.6 | 155.6 | 6.1 | 111.4 | I76 N84 T85 I87 T89 | I76-R80 WeakPolarHBondContact O-CB 3.44Å; I76-R80 VanDerWaalsContact O-CG 3.23Å; I76-R80 WeakPolarHBondContact O-CG 3.21Å; I76-R80 PolarHBondContact O-N 2.92Å; R80-N84 VanDerWaalsContact O-CA 3.29Å; R80-N84 WeakPolarHBondContact O-CA 3.36Å; R80-N84 PolarHBondContact O-N 3.33Å; R80-T85 WeakPolarHBondContact CB-O 3.27Å; R80-T85 WeakPolarHBondContact CG-O 3.5Å; R80-T85 PolarHBondContact O-N 3.3Å; R80-I87 HydrophobicContact CG-CB 3.99Å; R80-I87 HydrophobicContact CG-CD1 3.87Å; R80-I87 HydrophobicContact CG-CG1 3.91Å; R80-I87 PolarHBondContact NE-O 2.96Å; R80-I87 PolarHBondContact NH2-O 2.78Å; R80-T89 PolarHBondContact NH2-OG1 2.9Å |
| 81 | A | 96.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 75 Ų | 75 | 60% | 0.603 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.8 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K77 A78 L79 | K77-A81 WeakPolarHBondContact O-CB 3.3Å; K77-A81 PolarHBondContact O-N 3.22Å; A78-A81 PolarHBondContact O-N 2.8Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.19Å |
| 82 | K | 95.4 | Very high | 94.8 | Very high | 122 Ų | 122 | 76.3 Ų | 76.3 | 53% | 0.53 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 177.5 | -173.4 | -165.7 | -177.6 | -161.8 | 0 | 112.4 | A78 L79 E113 | A78-K82 VanDerWaalsContact O-CB 3.3Å; A78-K82 WeakPolarHBondContact O-CB 3.42Å; A78-K82 PolarHBondContact O-N 3.11Å; L79-K82 PolarHBondContact O-N 2.98Å; K82-E113 IonicContact NZ-OE1 3.33Å; K82-E113 PolarHBondContact NZ-OE1 3.24Å; K82-E113 IonicContact NZ-OE2 3.61Å; K82-E113 PolarHBondContact NZ-OE2 3.13Å |
| 83 | T | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -101.5 | -3.2 | -172.9 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | L79 T85 D106 M109 A110 | L79-T83 HydrophobicContact CD1-CG2 4.02Å; L79-T83 WeakPolarHBondContact O-CB 3.3Å; L79-T83 WeakPolarHBondContact O-CG2 3.39Å; L79-T83 PolarHBondContact O-N 3.15Å; L79-T83 PolarHBondContact O-OG1 3.41Å; T83-T85 PolarHBondContact O-N 2.87Å; T83-T85 VanDerWaalsContact O-N 3.09Å; T83-T85 PolarHBondContact OG1-OG1 3.26Å; T83-D106 WeakPolarHBondContact O-CB 3.45Å; T83-M109 HydrophobicContact CG2-CG 4.22Å; T83-M109 HydrophobicContact CG2-SD 4.13Å; T83-A110 HydrophobicContact CG2-CB 3.93Å |
| 84 | N | 95.7 | Very high | 94.3 | Very high | 106 Ų | 106 | 75.4 Ų | 75.4 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 21.6 | -173.6 | -54.7 | -79.5 | 0 | 0 | 0 | 114.8 | R80 | R80-N84 VanDerWaalsContact O-CA 3.29Å; R80-N84 WeakPolarHBondContact O-CA 3.36Å; R80-N84 PolarHBondContact O-N 3.33Å |
| 85 | T | 96.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 78 Ų | 78 | 5% | 0.049 | 40% | 0.4 | C | S | . | . | trans | -96.8 | 149.3 | -179.2 | 59 | 0 | 0 | 0 | 0 | 113.2 | R80 T83 I87 V100 D106 V107 A110 | R80-T85 WeakPolarHBondContact CB-O 3.27Å; R80-T85 WeakPolarHBondContact CG-O 3.5Å; R80-T85 PolarHBondContact O-N 3.3Å; T83-T85 PolarHBondContact O-N 2.87Å; T83-T85 VanDerWaalsContact O-N 3.09Å; T83-T85 PolarHBondContact OG1-OG1 3.26Å; T85-I87 WeakPolarHBondContact OG1-CD1 3.49Å; T85-I87 VanDerWaalsContact OG1-CG1 3.25Å; T85-I87 WeakPolarHBondContact OG1-CG1 3.19Å; T85-V100 HydrophobicContact CG2-CG1 3.87Å; T85-D106 VanDerWaalsContact CG2-C 3.44Å; T85-D106 HydrophobicContact CG2-CB 3.78Å; T85-D106 VanDerWaalsContact CG2-O 3.3Å; T85-D106 WeakPolarHBondContact CG2-O 3.45Å; T85-V107 HydrophobicContact CG2-CG2 4.28Å; T85-A110 HydrophobicContact CG2-CB 3.89Å | ||
| 86 | Y | 96.8 | Very high | 94.1 | Very high | 154 Ų | 154 | 75 Ų | 75 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 108 | 162.1 | -179.5 | -91.9 | 0 | 0 | 0 | 109.2 | K88 T101 | Y86-K88 HydrophobicContact CE1-CB 4.16Å; Y86-T101 PolarHBondContact N-O 2.85Å; Y86-T101 PolarHBondContact O-N 3.35Å |
| 87 | I | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 103.7 | 178.7 | -51.6 | 167.4 | 0 | 0 | 0 | 109.5 | I76 L79 R80 T85 T89 F98 I99 V100 A110 I114 | I76-I87 HydrophobicContact CD1-CB 4.1Å; I76-I87 HydrophobicContact CD1-CD1 3.77Å; I76-I87 HydrophobicContact CD1-CG2 3.88Å; L79-I87 HydrophobicContact CD2-CD1 4.05Å; L79-I87 HydrophobicContact CG-CD1 4.02Å; R80-I87 HydrophobicContact CG-CB 3.99Å; R80-I87 HydrophobicContact CG-CD1 3.87Å; R80-I87 HydrophobicContact CG-CG1 3.91Å; R80-I87 PolarHBondContact NE-O 2.96Å; R80-I87 PolarHBondContact NH2-O 2.78Å; T85-I87 WeakPolarHBondContact OG1-CD1 3.49Å; T85-I87 VanDerWaalsContact OG1-CG1 3.25Å; T85-I87 WeakPolarHBondContact OG1-CG1 3.19Å; I87-T89 PolarHBondContact O-N 2.97Å; I87-F98 HydrophobicContact CG2-CB 4.1Å; I87-F98 HydrophobicContact CG2-CD1 3.71Å; I87-F98 HydrophobicContact CG2-CG 4.26Å; I87-I99 CarbonylContact C-O 3.39Å; I87-I99 WeakPolarHBondContact CA-O 3.34Å; I87-V100 HydrophobicContact CG1-CG1 4.22Å; I87-V100 HydrophobicContact CG1-CG2 4.28Å; I87-V100 HydrophobicContact CG2-CG2 4.12Å; I87-A110 HydrophobicContact CD1-CB 4.39Å; I87-I114 HydrophobicContact CD1-CD1 4.35Å; I87-I114 HydrophobicContact CG2-CD1 4.21Å |
| 88 | K | 96 | Very high | 94.2 | Very high | 91 Ų | 91 | 70.9 Ų | 70.9 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.7 | 168.8 | -173.6 | -167.9 | 171.6 | -162.7 | 0 | 108.9 | Y86 I99 | Y86-K88 HydrophobicContact CE1-CB 4.16Å; K88-I99 HydrophobicContact CB-CB 4.2Å; K88-I99 HydrophobicContact CD-CD1 4.38Å; K88-I99 PolarHBondContact N-O 3.45Å; K88-I99 PolarHBondContact O-N 3.29Å |
| 89 | T | 95.2 | Very high | 94.2 | Very high | 41 Ų | 41 | 70.9 Ų | 70.9 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 131.8 | 170.3 | -52.6 | 0 | 0 | 0 | 0 | 108.7 | V65 V69 R80 I87 F98 | V65-T89 HydrophobicContact CG1-CG2 4.3Å; V69-T89 HydrophobicContact CG2-CG2 3.52Å; R80-T89 PolarHBondContact NH2-OG1 2.9Å; I87-T89 PolarHBondContact O-N 2.97Å; T89-F98 HydrophobicContact CG2-CE1 4.03Å |
| 90 | P | 94.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 70 Ų | 70 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 152.4 | 173.1 | 29.6 | -34.6 | 0 | 0 | 0 | 110.4 | V65 E94 D95 V97 | V65-P90 HydrophobicContact CG1-CG 4.04Å; V65-P90 HydrophobicContact CG2-CG 4.44Å; P90-E94 HydrophobicContact CB-CB 4.49Å; P90-D95 VanDerWaalsContact CB-O 3.27Å; P90-D95 WeakPolarHBondContact CB-O 3.49Å; P90-V97 WeakPolarHBondContact CD-O 3.01Å; P90-V97 WeakPolarHBondContact CG-O 3.43Å |
| 91 | V | 89.9 | Confident | 94.2 | Very high | 88 Ų | 88 | 67.9 Ų | 67.9 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 162 | -179.8 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | G93 E94 | V91-G93 PolarHBondContact O-N 3.03Å; V91-E94 HydrophobicContact CG2-CB 4.19Å; V91-E94 HydrophobicContact CG2-CG 3.7Å; V91-E94 PolarHBondContact N-OE2 3.15Å; V91-E94 PolarHBondContact O-N 3.31Å; V91-E94 VanDerWaalsContact O-N 3.09Å |
| 92 | R | 83.3 | Confident | 94.1 | Very high | 253 Ų | 253 | 65 Ų | 65 | 96% | 0.955 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 96.3 | -177.2 | -173.2 | -179 | -175.1 | 178.5 | 1.4 | 110.8 | ||
| 93 | G | 84.1 | Confident | 94.1 | Very high | 75 Ų | 75 | 64.8 Ų | 64.8 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 125.4 | -11.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V91 | V91-G93 PolarHBondContact O-N 3.03Š|
| 94 | E | 90.5 | Very high | 94 | Very high | 97 Ų | 97 | 70.6 Ų | 70.6 | 45% | 0.453 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -79.6 | 167.9 | 163 | -80.8 | 173.6 | 176.1 | 0 | 0 | 111 | P90 V91 | P90-E94 HydrophobicContact CB-CB 4.49Å; V91-E94 HydrophobicContact CG2-CB 4.19Å; V91-E94 HydrophobicContact CG2-CG 3.7Å; V91-E94 PolarHBondContact N-OE2 3.15Å; V91-E94 PolarHBondContact O-N 3.31Å; V91-E94 VanDerWaalsContact O-N 3.09Å |
| 95 | D | 93.1 | Very high | 93.8 | Very high | 131 Ų | 131 | 71 Ų | 71 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | trans | -53.7 | 141 | 171.8 | -71.5 | -46.3 | 0 | 0 | 0 | 111.8 | P90 V97 | P90-D95 VanDerWaalsContact CB-O 3.27Å; P90-D95 WeakPolarHBondContact CB-O 3.49Å; D95-V97 HydrophobicContact CB-CG2 4.17Å; D95-V97 PolarHBondContact O-N 3.02Å | ||
| 96 | P | 95.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 71.4 Ų | 71.4 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -76.7 | 59 | -176.9 | 33.4 | -38 | 0 | 0 | 0 | 112.6 | V59 V65 | V59-P96 WeakPolarHBondContact CB-O 3.38Å; V59-P96 PolarHBondContact N-O 2.83Å; V59-P96 WeakPolarHBondContact O-CB 3.48Å; V59-P96 WeakPolarHBondContact O-CG 3.48Å; V65-P96 HydrophobicContact CG2-CB 3.71Å |
| 97 | V | 96.1 | Very high | 93.8 | Very high | 46 Ų | 46 | 64 Ų | 64 | 28% | 0.279 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.3 | -178.3 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | C56 P58 P90 D95 | C56-V97 HydrophobicContact CB-CG1 3.76Å; P58-V97 HydrophobicContact CB-CG2 4.34Å; P90-V97 WeakPolarHBondContact CD-O 3.01Å; P90-V97 WeakPolarHBondContact CG-O 3.43Å; D95-V97 HydrophobicContact CB-CG2 4.17Å; D95-V97 PolarHBondContact O-N 3.02Å |
| 98 | F | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 138.2 | 168.3 | -71.3 | -83.7 | 0 | 0 | 0 | 110 | C56 V57 V59 V65 I68 V69 I76 I87 T89 I114 | C56-F98 WeakPolarHBondContact CA-O 3.2Å; V57-F98 HydrophobicContact CB-CB 4.4Å; V57-F98 PolarHBondContact N-O 3.16Å; V57-F98 PolarHBondContact O-N 3.14Å; V59-F98 HydrophobicContact CG2-CD2 3.83Å; V59-F98 HydrophobicContact CG2-CE2 3.93Å; V65-F98 HydrophobicContact CB-CE2 4.35Å; V65-F98 HydrophobicContact CB-CZ 4.3Å; V65-F98 HydrophobicContact CG1-CE1 4.37Å; V65-F98 HydrophobicContact CG1-CE2 4.21Å; V65-F98 HydrophobicContact CG1-CZ 3.76Å; V65-F98 HydrophobicContact CG2-CE2 3.94Å; V65-F98 HydrophobicContact CG2-CZ 4.35Å; I68-F98 HydrophobicContact CB-CE2 4.4Å; I68-F98 HydrophobicContact CB-CZ 4.2Å; I68-F98 HydrophobicContact CD1-CE2 4.15Å; I68-F98 HydrophobicContact CG2-CE2 4.05Å; I68-F98 HydrophobicContact CG2-CZ 3.81Å; V69-F98 HydrophobicContact CG2-CE1 4.1Å; V69-F98 HydrophobicContact CG2-CZ 4.11Å; I76-F98 HydrophobicContact CD1-CE1 4.31Å; I87-F98 HydrophobicContact CG2-CB 4.1Å; I87-F98 HydrophobicContact CG2-CD1 3.71Å; I87-F98 HydrophobicContact CG2-CG 4.26Å; T89-F98 HydrophobicContact CG2-CE1 4.03Å; F98-I114 HydrophobicContact CB-CD1 4.18Å; F98-I114 HydrophobicContact CD2-CG2 3.73Å; F98-I114 HydrophobicContact CE2-CG2 4.13Å; F98-I114 HydrophobicContact CG-CD1 4.33Å; F98-I114 HydrophobicContact CG-CG2 4.5Å |
| 99 | I | 96.8 | Very high | 93.7 | Very high | 59 Ų | 59 | 67.5 Ų | 67.5 | 30% | 0.303 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116.4 | 173 | -56.5 | 175.2 | 0 | 0 | 0 | 107.8 | T54 I87 K88 | T54-I99 HydrophobicContact CG2-CG2 3.54Å; I87-I99 CarbonylContact C-O 3.39Å; I87-I99 WeakPolarHBondContact CA-O 3.34Å; K88-I99 HydrophobicContact CB-CB 4.2Å; K88-I99 HydrophobicContact CD-CD1 4.38Å; K88-I99 PolarHBondContact N-O 3.45Å; K88-I99 PolarHBondContact O-N 3.29Å |
| 100 | V | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.6 | -172.9 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | T54 E55 V57 T85 I87 V107 A110 I114 | T54-V100 CarbonylContact C-O 3.59Å; T54-V100 VanDerWaalsContact CA-O 3.25Å; T54-V100 WeakPolarHBondContact CA-O 3.39Å; E55-V100 PolarHBondContact N-O 3.32Å; E55-V100 PolarHBondContact O-N 3.06Å; V57-V100 HydrophobicContact CG2-CG2 3.86Å; T85-V100 HydrophobicContact CG2-CG1 3.87Å; I87-V100 HydrophobicContact CG1-CG1 4.22Å; I87-V100 HydrophobicContact CG1-CG2 4.28Å; I87-V100 HydrophobicContact CG2-CG2 4.12Å; V100-V107 HydrophobicContact CB-CG1 4.42Å; V100-V107 HydrophobicContact CG1-CB 4.33Å; V100-V107 HydrophobicContact CG1-CG1 4.11Å; V100-V107 HydrophobicContact CG1-CG2 4.12Å; V100-A110 HydrophobicContact CG1-CB 3.86Å; V100-I114 HydrophobicContact CG2-CD1 3.85Å |
| 101 | T | 95.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 67.2 Ų | 67.2 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.3 | 177 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | N52 M53 T54 Y86 | N52-T101 HydrophobicContact CB-CG2 4.21Å; M53-T101 VanDerWaalsContact O-CA 3.3Å; M53-T101 WeakPolarHBondContact O-CA 3.48Å; T54-T101 WeakPolarHBondContact CG2-OG1 3.23Å; T54-T101 WeakPolarHBondContact OG1-CG2 3.36Å; T54-T101 PolarHBondContact OG1-OG1 3.39Å; Y86-T101 PolarHBondContact N-O 2.85Å; Y86-T101 PolarHBondContact O-N 3.35Å |
| 102 | G | 95.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 71 Ų | 71 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177 | -160.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | N52 M53 V107 | N52-G102 CarbonylContact C-O 3.43Å; N52-G102 VanDerWaalsContact CA-O 3.23Å; N52-G102 WeakPolarHBondContact CA-O 3.35Å; M53-G102 PolarHBondContact N-O 3.07Å; M53-G102 PolarHBondContact O-N 3.28Å; G102-V107 VanDerWaalsContact N-CG2 3.29Å |
| 103 | R | 94.5 | Very high | 94.8 | Very high | 119 Ų | 119 | 62.1 Ų | 62.1 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | trans | -70.2 | 162.7 | 167.6 | -58.3 | -178.1 | -97.6 | -147.2 | -8.3 | 110.2 | E105 D106 V107 | R103-E105 VanDerWaalsContact C-N 3.35Å; R103-E105 HydrophobicContact CB-CG 4.31Å; R103-E105 WeakPolarHBondContact CB-OE2 3.15Å; R103-E105 WeakPolarHBondContact CD-OE1 3.23Å; R103-E105 PolarHBondContact O-N 2.94Å; R103-D106 HydrophobicContact CB-CB 4.03Å; R103-D106 WeakPolarHBondContact CB-OD2 3.25Å; R103-D106 WeakPolarHBondContact CG-OD2 3.29Å; R103-D106 IonicContact CZ-OD2 3.35Å; R103-D106 IonicContact NE-OD2 3.96Å; R103-D106 PolarHBondContact NE-OD2 2.93Å; R103-D106 IonicContact NH2-OD2 3.59Å; R103-D106 PolarHBondContact O-N 3.34Å; R103-V107 WeakPolarHBondContact O-CB 3.39Å; R103-V107 WeakPolarHBondContact O-CG2 3.31Å; R103-V107 PolarHBondContact O-N 3.43Å | ||
| 104 | R | 92.3 | Very high | 95.4 | Very high | 121 Ų | 121 | 58.5 Ų | 58.5 | 46% | 0.457 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | -175.6 | 177 | 177.9 | -72.3 | 169.7 | -3.4 | 111.5 | C45 M53 E108 | C45-R104 PolarHBondContact SG-NH1 3.16Å; C45-R104 VanDerWaalsContact SG-NH1 3.4Å; M53-R104 HydrophobicContact CE-CG 4.07Å; M53-R104 HydrophobicContact SD-CB 4.32Å; M53-R104 HydrophobicContact SD-CG 4.01Å; R104-E108 PolarHBondContact O-N 2.92Å; R104-E108 VanDerWaalsContact O-N 3.08Å |
| 105 | E | 93.1 | Very high | 95.7 | Very high | 114 Ų | 114 | 57.2 Ų | 57.2 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 176.4 | 62 | -82.3 | -154.2 | 0 | 0 | 112.4 | R103 M109 | R103-E105 VanDerWaalsContact C-N 3.35Å; R103-E105 HydrophobicContact CB-CG 4.31Å; R103-E105 WeakPolarHBondContact CB-OE2 3.15Å; R103-E105 WeakPolarHBondContact CD-OE1 3.23Å; R103-E105 PolarHBondContact O-N 2.94Å; E105-M109 WeakPolarHBondContact O-CB 3.47Å; E105-M109 PolarHBondContact O-N 3.33Å |
| 106 | D | 95.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 177.4 | -75.3 | -19.9 | 0 | 0 | 0 | 111.2 | T83 T85 R103 A110 | T83-D106 WeakPolarHBondContact O-CB 3.45Å; T85-D106 VanDerWaalsContact CG2-C 3.44Å; T85-D106 HydrophobicContact CG2-CB 3.78Å; T85-D106 VanDerWaalsContact CG2-O 3.3Å; T85-D106 WeakPolarHBondContact CG2-O 3.45Å; R103-D106 HydrophobicContact CB-CB 4.03Å; R103-D106 WeakPolarHBondContact CB-OD2 3.25Å; R103-D106 WeakPolarHBondContact CG-OD2 3.29Å; R103-D106 IonicContact CZ-OD2 3.35Å; R103-D106 IonicContact NE-OD2 3.96Å; R103-D106 PolarHBondContact NE-OD2 2.93Å; R103-D106 IonicContact NH2-OD2 3.59Å; R103-D106 PolarHBondContact O-N 3.34Å; D106-A110 WeakPolarHBondContact O-CB 3.3Å; D106-A110 PolarHBondContact O-N 3.22Å |
| 107 | V | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.4 | -47.5 | -179.5 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | M53 E55 T85 V100 G102 R103 M109 A110 K111 | M53-V107 HydrophobicContact CE-CB 4.09Å; M53-V107 HydrophobicContact CE-CG1 3.76Å; E55-V107 HydrophobicContact CB-CG1 3.75Å; T85-V107 HydrophobicContact CG2-CG2 4.28Å; V100-V107 HydrophobicContact CB-CG1 4.42Å; V100-V107 HydrophobicContact CG1-CB 4.33Å; V100-V107 HydrophobicContact CG1-CG1 4.11Å; V100-V107 HydrophobicContact CG1-CG2 4.12Å; G102-V107 VanDerWaalsContact N-CG2 3.29Å; R103-V107 WeakPolarHBondContact O-CB 3.39Å; R103-V107 WeakPolarHBondContact O-CG2 3.31Å; R103-V107 PolarHBondContact O-N 3.43Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 2.92Å; V107-A110 PolarHBondContact O-N 3.01Å; V107-K111 VanDerWaalsContact O-CB 3.3Å; V107-K111 WeakPolarHBondContact O-CB 3.34Å; V107-K111 PolarHBondContact O-N 3.28Å |
| 108 | E | 95.1 | Very high | 95.8 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -36.4 | 179 | 178.3 | 58.2 | -146.4 | 0 | 0 | 111.4 | R104 K111 R112 | R104-E108 PolarHBondContact O-N 2.92Å; R104-E108 VanDerWaalsContact O-N 3.08Å; E108-K111 WeakPolarHBondContact OE2-CE 3.34Å; E108-K111 IonicContact OE2-NZ 2.75Å; E108-K111 PolarHBondContact OE2-NZ 3.03Å; E108-R112 WeakPolarHBondContact O-CB 3.44Å; E108-R112 PolarHBondContact O-N 3.09Å; E108-R112 IonicContact OE1-NH2 2.75Å |
| 109 | M | 95.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 57.4 Ų | 57.4 | 47% | 0.473 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 172.4 | -169.8 | -172.2 | -55.5 | 0 | 0 | 111.6 | T83 E105 V107 K111 R112 E113 | T83-M109 HydrophobicContact CG2-CG 4.22Å; T83-M109 HydrophobicContact CG2-SD 4.13Å; E105-M109 WeakPolarHBondContact O-CB 3.47Å; E105-M109 PolarHBondContact O-N 3.33Å; V107-M109 VanDerWaalsContact C-N 3.31Å; V107-M109 PolarHBondContact O-N 2.92Å; M109-K111 PolarHBondContact O-N 2.98Å; M109-R112 PolarHBondContact O-N 3.27Å; M109-E113 WeakPolarHBondContact O-CB 3.35Å; M109-E113 PolarHBondContact O-N 3Å |
| 110 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T83 T85 I87 V100 D106 V107 E113 I114 | T83-A110 HydrophobicContact CG2-CB 3.93Å; T85-A110 HydrophobicContact CG2-CB 3.89Å; I87-A110 HydrophobicContact CD1-CB 4.39Å; V100-A110 HydrophobicContact CG1-CB 3.86Å; D106-A110 WeakPolarHBondContact O-CB 3.3Å; D106-A110 PolarHBondContact O-N 3.22Å; V107-A110 PolarHBondContact O-N 3.01Å; A110-E113 PolarHBondContact O-N 2.95Å; A110-I114 VanDerWaalsContact O-CG1 3.23Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.41Å |
| 111 | K | 96.3 | Very high | 95.4 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -51.1 | 174.7 | 162.6 | 176.8 | 149.8 | -154.3 | 0 | 111.9 | E55 V57 V107 E108 M109 E113 I114 V115 | E55-K111 HydrophobicContact CG-CD 4.24Å; E55-K111 WeakPolarHBondContact OE1-CD 3.29Å; E55-K111 WeakPolarHBondContact OE1-CE 3.32Å; E55-K111 IonicContact OE1-NZ 3.6Å; E55-K111 PolarHBondContact OE1-NZ 2.88Å; E55-K111 WeakPolarHBondContact OE2-CD 3.46Å; E55-K111 IonicContact OE2-NZ 3.46Å; E55-K111 PolarHBondContact OE2-NZ 3.32Å; V57-K111 HydrophobicContact CG1-CG 4.41Å; V57-K111 HydrophobicContact CG2-CB 3.8Å; V57-K111 HydrophobicContact CG2-CD 4.45Å; V57-K111 HydrophobicContact CG2-CG 3.93Å; V107-K111 VanDerWaalsContact O-CB 3.3Å; V107-K111 WeakPolarHBondContact O-CB 3.34Å; V107-K111 PolarHBondContact O-N 3.28Å; E108-K111 WeakPolarHBondContact OE2-CE 3.34Å; E108-K111 IonicContact OE2-NZ 2.75Å; E108-K111 PolarHBondContact OE2-NZ 3.03Å; M109-K111 PolarHBondContact O-N 2.98Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.46Å; K111-I114 PolarHBondContact O-N 2.95Å; K111-V115 WeakPolarHBondContact O-CG2 3.31Å; K111-V115 PolarHBondContact O-N 2.93Å |
| 112 | R | 96.3 | Very high | 95.2 | Very high | 168 Ų | 168 | 60.8 Ų | 60.8 | 63% | 0.634 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.9 | -40.7 | 178.8 | -173.2 | 177.3 | -60.2 | -163.1 | -0.3 | 111.7 | E108 M109 S116 | E108-R112 WeakPolarHBondContact O-CB 3.44Å; E108-R112 PolarHBondContact O-N 3.09Å; E108-R112 IonicContact OE1-NH2 2.75Å; M109-R112 PolarHBondContact O-N 3.27Å; R112-S116 WeakPolarHBondContact O-CB 3.29Å; R112-S116 PolarHBondContact O-N 2.88Å |
| 113 | E | 96.4 | Very high | 94.9 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.1 | -34.2 | 179.6 | -167 | 161.4 | -178.1 | 0 | 0 | 112.9 | L79 K82 M109 A110 K111 A117 | L79-E113 HydrophobicContact CD1-CB 4.03Å; L79-E113 HydrophobicContact CD1-CG 3.67Å; L79-E113 WeakPolarHBondContact CD1-OE2 3.31Å; K82-E113 IonicContact NZ-OE1 3.33Å; K82-E113 PolarHBondContact NZ-OE1 3.24Å; K82-E113 IonicContact NZ-OE2 3.61Å; K82-E113 PolarHBondContact NZ-OE2 3.13Å; M109-E113 WeakPolarHBondContact O-CB 3.35Å; M109-E113 PolarHBondContact O-N 3Å; A110-E113 PolarHBondContact O-N 2.95Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.46Å; E113-A117 WeakPolarHBondContact O-CB 3.06Å; E113-A117 PolarHBondContact O-N 3.44Å |
| 114 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 170.6 | -69.3 | 164.6 | 0 | 0 | 0 | 111 | V57 V59 I68 L79 I87 F98 V100 A110 K111 A117 A118 | V57-I114 HydrophobicContact CB-CG2 4.33Å; V57-I114 HydrophobicContact CG1-CB 4.04Å; V57-I114 HydrophobicContact CG1-CG2 3.61Å; V59-I114 HydrophobicContact CG2-CG2 3.86Å; I68-I114 HydrophobicContact CD1-CG2 4.46Å; L79-I114 HydrophobicContact CD2-CG1 3.79Å; I87-I114 HydrophobicContact CD1-CD1 4.35Å; I87-I114 HydrophobicContact CG2-CD1 4.21Å; F98-I114 HydrophobicContact CB-CD1 4.18Å; F98-I114 HydrophobicContact CD2-CG2 3.73Å; F98-I114 HydrophobicContact CE2-CG2 4.13Å; F98-I114 HydrophobicContact CG-CD1 4.33Å; F98-I114 HydrophobicContact CG-CG2 4.5Å; V100-I114 HydrophobicContact CG2-CD1 3.85Å; A110-I114 VanDerWaalsContact O-CG1 3.23Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.41Å; K111-I114 PolarHBondContact O-N 2.95Å; I114-A117 PolarHBondContact O-N 2.85Å; I114-A118 WeakPolarHBondContact O-CB 3.33Å; I114-A118 PolarHBondContact O-N 2.98Å |
| 115 | V | 96.4 | Very high | 94.1 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 42% | 0.418 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | -179.9 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | V57 K111 A117 A118 E119 | V57-V115 HydrophobicContact CG1-CG2 3.64Å; K111-V115 WeakPolarHBondContact O-CG2 3.31Å; K111-V115 PolarHBondContact O-N 2.93Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 2.84Å; V115-A118 WeakPolarHBondContact O-CB 3.15Å; V115-A118 PolarHBondContact O-N 3.09Å; V115-A118 VanDerWaalsContact O-N 3.12Å; V115-E119 PolarHBondContact O-N 3.01Å |
| 116 | S | 96.5 | Very high | 93.3 | Very high | 66 Ų | 66 | 56 Ų | 56 | 46% | 0.462 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 177 | -178.3 | 0 | 0 | 0 | 0 | 112 | R112 H120 | R112-S116 WeakPolarHBondContact O-CB 3.29Å; R112-S116 PolarHBondContact O-N 2.88Å; S116-H120 WeakPolarHBondContact O-CB 3.44Å; S116-H120 PolarHBondContact O-N 3.21Å |
| 117 | A | 95.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 21% | 0.207 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I68 E113 I114 V115 H120 F121 | I68-A117 HydrophobicContact CG1-CB 4.11Å; E113-A117 WeakPolarHBondContact O-CB 3.06Å; E113-A117 PolarHBondContact O-N 3.44Å; I114-A117 PolarHBondContact O-N 2.85Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 2.84Å; A117-H120 PolarHBondContact O-N 2.89Å; A117-F121 HydrophobicContact CB-CD2 4.46Å; A117-F121 HydrophobicContact CB-CE2 4Å; A117-F121 WeakPolarHBondContact O-CB 3.47Å; A117-F121 WeakPolarHBondContact O-CD2 3.47Å; A117-F121 VanDerWaalsContact O-CG 3.29Å; A117-F121 WeakPolarHBondContact O-CG 3.38Å; A117-F121 PolarHBondContact O-N 2.9Å |
| 118 | A | 95.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.033 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V59 I68 I114 V115 S122 | V59-A118 HydrophobicContact CG1-CB 3.99Å; V59-A118 HydrophobicContact CG2-CB 4.24Å; I68-A118 HydrophobicContact CD1-CB 4Å; I114-A118 WeakPolarHBondContact O-CB 3.33Å; I114-A118 PolarHBondContact O-N 2.98Å; V115-A118 WeakPolarHBondContact O-CB 3.15Å; V115-A118 PolarHBondContact O-N 3.09Å; V115-A118 VanDerWaalsContact O-N 3.12Å; A118-S122 WeakPolarHBondContact O-CB 3.43Å; A118-S122 PolarHBondContact O-N 3.47Å; A118-S122 PolarHBondContact O-OG 2.91Å |
| 119 | E | 95.1 | Very high | 88.8 | Confident | 118 Ų | 118 | 68.6 Ų | 68.6 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.4 | -46.6 | 174.9 | -177.2 | 177 | -152 | 0 | 0 | 111.6 | V115 F121 S122 M123 | V115-E119 PolarHBondContact O-N 3.01Å; E119-F121 PolarHBondContact O-N 3.25Å; E119-S122 CarbonylContact O-C 3.54Å; E119-S122 WeakPolarHBondContact O-CA 3.25Å; E119-S122 WeakPolarHBondContact O-CB 3.46Å; E119-S122 PolarHBondContact O-N 3.38Å; E119-S122 VanDerWaalsContact O-N 3.07Å; E119-M123 HydrophobicContact CG-CE 4.39Å; E119-M123 WeakPolarHBondContact O-CG 3.26Å; E119-M123 PolarHBondContact O-N 2.68Å |
| 120 | H | 93.5 | Very high | 86.4 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 176.9 | 175.8 | -101.7 | 0 | 0 | 0 | 112.4 | S116 A117 M123 I124 | S116-H120 WeakPolarHBondContact O-CB 3.44Å; S116-H120 PolarHBondContact O-N 3.21Å; A117-H120 PolarHBondContact O-N 2.89Å; H120-M123 PolarHBondContact O-N 2.89Å; H120-I124 WeakPolarHBondContact CE1-CD1 3.49Å; H120-I124 WeakPolarHBondContact O-CG1 3.5Å; H120-I124 PolarHBondContact O-N 3.39Å |
| 121 | F | 93.8 | Very high | 83.9 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 13% | 0.132 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 172.3 | -63.7 | -44.7 | 0 | 0 | 0 | 111.7 | E67 I68 A117 E119 M123 I124 R125 | E67-F121 HydrophobicContact CB-CD1 4.43Å; E67-F121 HydrophobicContact CB-CD2 3.91Å; E67-F121 HydrophobicContact CB-CE2 4.07Å; E67-F121 HydrophobicContact CB-CG 4.15Å; E67-F121 HydrophobicContact CB-CZ 4.44Å; E67-F121 WeakPolarHBondContact OE2-CB 3.37Å; E67-F121 WeakPolarHBondContact OE2-CD1 3.45Å; E67-F121 WeakPolarHBondContact OE2-CG 3.32Å; I68-F121 HydrophobicContact CG1-CD2 3.87Å; I68-F121 HydrophobicContact CG1-CE2 3.71Å; A117-F121 HydrophobicContact CB-CD2 4.46Å; A117-F121 HydrophobicContact CB-CE2 4Å; A117-F121 WeakPolarHBondContact O-CB 3.47Å; A117-F121 WeakPolarHBondContact O-CD2 3.47Å; A117-F121 VanDerWaalsContact O-CG 3.29Å; A117-F121 WeakPolarHBondContact O-CG 3.38Å; A117-F121 PolarHBondContact O-N 2.9Å; E119-F121 PolarHBondContact O-N 3.25Å; F121-M123 VanDerWaalsContact C-N 3.33Å; F121-M123 PolarHBondContact O-N 3.08Å; F121-I124 PolarHBondContact O-N 2.9Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 VanDerWaalsContact O-CD 3.26Å; F121-R125 WeakPolarHBondContact O-CD 3.39Å; F121-R125 VanDerWaalsContact O-CG 3.29Å; F121-R125 WeakPolarHBondContact O-CG 3.11Å; F121-R125 PolarHBondContact O-N 3.29Å |
| 122 | S | 92.6 | Very high | 81.5 | Confident | 36 Ų | 36 | 72.9 Ų | 72.9 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 174.1 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | H64 A118 E119 R125 A126 | H64-S122 PolarHBondContact NE2-OG 2.93Å; A118-S122 WeakPolarHBondContact O-CB 3.43Å; A118-S122 PolarHBondContact O-N 3.47Å; A118-S122 PolarHBondContact O-OG 2.91Å; E119-S122 CarbonylContact O-C 3.54Å; E119-S122 WeakPolarHBondContact O-CA 3.25Å; E119-S122 WeakPolarHBondContact O-CB 3.46Å; E119-S122 PolarHBondContact O-N 3.38Å; E119-S122 VanDerWaalsContact O-N 3.07Å; S122-R125 PolarHBondContact O-N 3.46Å; S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 3.2Å |
| 123 | M | 87.9 | Confident | 79.4 | Confident | 108 Ų | 108 | 68.3 Ų | 68.3 | 53% | 0.532 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 174.5 | -70.2 | -169.5 | -72 | 0 | 0 | 112.6 | E119 H120 F121 R125 A126 S127 | E119-M123 HydrophobicContact CG-CE 4.39Å; E119-M123 WeakPolarHBondContact O-CG 3.26Å; E119-M123 PolarHBondContact O-N 2.68Å; H120-M123 PolarHBondContact O-N 2.89Å; F121-M123 VanDerWaalsContact C-N 3.33Å; F121-M123 PolarHBondContact O-N 3.08Å; M123-R125 PolarHBondContact O-N 2.97Å; M123-A126 PolarHBondContact O-N 3.45Å; M123-S127 WeakPolarHBondContact O-CB 3.44Å; M123-S127 PolarHBondContact O-N 2.73Å; M123-S127 PolarHBondContact O-OG 2.85Å |
| 124 | I | 87.6 | Confident | 77.3 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 27% | 0.272 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.6 | -26.5 | 175.7 | -73.1 | 175.3 | 0 | 0 | 0 | 112 | H120 F121 S127 R128 | H120-I124 WeakPolarHBondContact CE1-CD1 3.49Å; H120-I124 WeakPolarHBondContact O-CG1 3.5Å; H120-I124 PolarHBondContact O-N 3.39Å; F121-I124 PolarHBondContact O-N 2.9Å; I124-S127 WeakPolarHBondContact CA-OG 3.35Å; I124-S127 PolarHBondContact O-OG 2.87Å; I124-R128 VanDerWaalsContact CG2-NH2 3.35Å; I124-R128 VanDerWaalsContact O-CD 3.32Å; I124-R128 WeakPolarHBondContact O-CD 3.26Å; I124-R128 VanDerWaalsContact O-CG 3.24Å; I124-R128 WeakPolarHBondContact O-CG 3.46Å; I124-R128 PolarHBondContact O-NE 2.94Å; I124-R128 VanDerWaalsContact O-NE 3.16Å |
| 125 | R | 82.6 | Confident | 74.7 | Confident | 44 Ų | 44 | 75.9 Ų | 75.9 | 17% | 0.166 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -82.2 | -47.9 | 173.8 | -72.4 | 154.3 | 167.9 | -93.8 | -15.4 | 111.3 | E63 H64 E67 F121 S122 M123 S127 R128 C129 | E63-R125 IonicContact OE1-CZ 2.69Å; E63-R125 IonicContact OE1-NH1 2.65Å; E63-R125 PolarHBondContact OE1-NH1 2.75Å; E63-R125 IonicContact OE1-NH2 3.24Å; E63-R125 PolarHBondContact OE1-NH2 3.08Å; E63-R125 IonicContact OE2-CZ 3.26Å; E63-R125 IonicContact OE2-NH1 3.42Å; E63-R125 PolarHBondContact OE2-NH1 3.37Å; E63-R125 IonicContact OE2-NH2 3.83Å; H64-R125 WeakPolarHBondContact NE2-CD 3.14Å; E67-R125 VanDerWaalsContact CD-NH2 3.26Å; E67-R125 IonicContact OE1-CZ 3.72Å; E67-R125 IonicContact OE1-NE 3.6Å; E67-R125 PolarHBondContact OE1-NE 3.14Å; E67-R125 IonicContact OE1-NH2 2.73Å; E67-R125 PolarHBondContact OE1-NH2 2.89Å; E67-R125 IonicContact OE2-CZ 2.73Å; E67-R125 IonicContact OE2-NE 2.72Å; E67-R125 PolarHBondContact OE2-NE 2.93Å; E67-R125 IonicContact OE2-NH2 2.85Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 VanDerWaalsContact O-CD 3.26Å; F121-R125 WeakPolarHBondContact O-CD 3.39Å; F121-R125 VanDerWaalsContact O-CG 3.29Å; F121-R125 WeakPolarHBondContact O-CG 3.11Å; F121-R125 PolarHBondContact O-N 3.29Å; S122-R125 PolarHBondContact O-N 3.46Å; M123-R125 PolarHBondContact O-N 2.97Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-S127 PolarHBondContact O-N 3.4Å; R125-R128 CarbonylContact O-C 3.54Å; R125-R128 PolarHBondContact O-N 3.23Å; R125-C129 WeakPolarHBondContact O-CB 3.24Å; R125-C129 PolarHBondContact O-N 3.42Å; R125-C129 PolarHBondContact O-SG 3.48Å; R125-C129 VanDerWaalsContact O-SG 3.37Å |
| 126 | A | 76.4 | Confident | 71.8 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.8 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S122 M123 R128 C129 K130 | S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 3.2Å; M123-A126 PolarHBondContact O-N 3.45Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 2.86Å; A126-C129 PolarHBondContact O-N 2.85Å; A126-K130 WeakPolarHBondContact O-CB 3.42Å; A126-K130 PolarHBondContact O-N 3.17Å |
| 127 | S | 71.8 | Confident | 68.9 | Low | 82 Ų | 82 | 77.5 Ų | 77.5 | 57% | 0.573 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -29.7 | 175.5 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | M123 I124 R125 | M123-S127 WeakPolarHBondContact O-CB 3.44Å; M123-S127 PolarHBondContact O-N 2.73Å; M123-S127 PolarHBondContact O-OG 2.85Å; I124-S127 WeakPolarHBondContact CA-OG 3.35Å; I124-S127 PolarHBondContact O-OG 2.87Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-S127 PolarHBondContact O-N 3.4Å |
| 128 | R | 66 | Low | 66.1 | Low | 181 Ų | 181 | 80 Ų | 80 | 68% | 0.683 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -82.2 | -39.5 | 173.2 | -66.4 | 173.2 | -154 | -115.8 | 3.7 | 112.5 | I124 R125 A126 K130 A131 | I124-R128 VanDerWaalsContact CG2-NH2 3.35Å; I124-R128 VanDerWaalsContact O-CD 3.32Å; I124-R128 WeakPolarHBondContact O-CD 3.26Å; I124-R128 VanDerWaalsContact O-CG 3.24Å; I124-R128 WeakPolarHBondContact O-CG 3.46Å; I124-R128 PolarHBondContact O-NE 2.94Å; I124-R128 VanDerWaalsContact O-NE 3.16Å; R125-R128 CarbonylContact O-C 3.54Å; R125-R128 PolarHBondContact O-N 3.23Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 2.86Å; R128-K130 VanDerWaalsContact C-N 3.31Å; R128-K130 PolarHBondContact O-N 3.03Å; R128-A131 WeakPolarHBondContact O-CB 3.49Å; R128-A131 PolarHBondContact O-N 3.49Å; R128-A131 VanDerWaalsContact O-N 3.09Å |
| 129 | C | 53.6 | Low | 63.2 | Low | 86 Ų | 86 | 85.9 Ų | 85.9 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.3 | -18.6 | 179.5 | -65 | 0 | 0 | 0 | 0 | 113 | R125 A126 A131 G132 | R125-C129 WeakPolarHBondContact O-CB 3.24Å; R125-C129 PolarHBondContact O-N 3.42Å; R125-C129 PolarHBondContact O-SG 3.48Å; R125-C129 VanDerWaalsContact O-SG 3.37Å; A126-C129 PolarHBondContact O-N 2.85Å; C129-A131 PolarHBondContact O-N 2.67Å; C129-G132 CarbonylContact O-C 3.55Å; C129-G132 PolarHBondContact O-N 2.91Å; C129-G132 VanDerWaalsContact O-O 3.06Å |
| 130 | K | 47.1 | Very low | 60.6 | Low | 139 Ų | 139 | 88.2 Ų | 88.2 | 60% | 0.604 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -21.5 | 165.1 | -167 | 63.2 | 173.8 | -177.5 | 0 | 112.1 | A126 R128 P147 | A126-K130 WeakPolarHBondContact O-CB 3.42Å; A126-K130 PolarHBondContact O-N 3.17Å; R128-K130 VanDerWaalsContact C-N 3.31Å; R128-K130 PolarHBondContact O-N 3.03Å; K130-P147 HydrophobicContact CD-CB 4.2Å; K130-P147 HydrophobicContact CG-CB 4.21Å; K130-P147 WeakPolarHBondContact CG-O 3.42Å; K130-P147 WeakPolarHBondContact O-CD 3.2Å; K130-P147 WeakPolarHBondContact O-CG 3.41Å |
| 131 | A | 43.3 | Very low | 58.5 | Low | 46 Ų | 46 | 89.7 Ų | 89.7 | 38% | 0.38 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.3 | 18.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R128 C129 L146 | R128-A131 WeakPolarHBondContact O-CB 3.49Å; R128-A131 PolarHBondContact O-N 3.49Å; R128-A131 VanDerWaalsContact O-N 3.09Å; C129-A131 PolarHBondContact O-N 2.67Å; A131-L146 HydrophobicContact CB-CD1 4.3Å |
| 132 | G | 47.1 | Very low | 55.8 | Low | 54 Ų | 54 | 91.2 Ų | 91.2 | 56% | 0.557 | 64% | 0.638 | S | S | * | * | trans | -176 | 112 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C129 | C129-G132 CarbonylContact O-C 3.55Å; C129-G132 PolarHBondContact O-N 2.91Å; C129-G132 VanDerWaalsContact O-O 3.06Å | ||
| 133 | G | 52 | Low | 53.7 | Low | 72 Ų | 72 | 94.4 Ų | 94.4 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | trans | -137.3 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 134 | P | 51.6 | Low | 51.6 | Low | 139 Ų | 139 | 94.6 Ų | 94.6 | 90% | 0.903 | 67% | 0.667 | S | S | * | * | trans | -132.6 | 152.6 | 149.3 | 37.1 | -25.4 | 0 | 0 | 0 | 112.1 | ||||
| 135 | G | 43.3 | Very low | 49.6 | Very low | 84 Ų | 84 | 97.5 Ų | 97.5 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | cis | 166.9 | 160.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 136 | G | 35.3 | Very low | 48.1 | Very low | 85 Ų | 85 | 98 Ų | 98 | 88% | 0.876 | 69% | 0.685 | S | S | * | * | trans | 160 | 126.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 137 | G | 35.6 | Very low | 47 | Very low | 85 Ų | 85 | 98.5 Ų | 98.5 | 88% | 0.876 | 68% | 0.683 | S | S | * | * | trans | 99.9 | 86.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 138 | G | 36.4 | Very low | 46.7 | Very low | 78 Ų | 78 | 97.2 Ų | 97.2 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | trans | -73.9 | 163.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 139 | S | 34.4 | Very low | 47 | Very low | 126 Ų | 126 | 92.2 Ų | 92.2 | 88% | 0.881 | 67% | 0.667 | S | S | * | * | trans | -163.5 | 167.4 | 147.7 | -83.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 140 | L | 40.9 | Very low | 48.5 | Very low | 167 Ų | 167 | 89.9 Ų | 89.9 | 87% | 0.874 | 65% | 0.65 | S | S | * | * | trans | -88.8 | -177.4 | -175.5 | -60.2 | 166.2 | 0 | 0 | 0 | 111.5 | ||||
| 141 | P | 48.8 | Very low | 50.5 | Low | 127 Ų | 127 | 86.2 Ų | 86.2 | 83% | 0.825 | 64% | 0.639 | S | S | * | * | -125.2 | 125.7 | -88.5 | 33.7 | -15.6 | 0 | 0 | 0 | 113 | |||||
| 142 | G | 36.8 | Very low | 52.8 | Low | 62 Ų | 62 | 86.2 Ų | 86.2 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | trans | -135.4 | 166.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 143 | P | 48.3 | Very low | 54.8 | Low | 103 Ų | 103 | 90.5 Ų | 90.5 | 67% | 0.669 | 64% | 0.638 | S | S | * | * | trans | -54.3 | 135.9 | 173.6 | -24.5 | 34.8 | 0 | 0 | 0 | 111 | H145 | P143-H145 PolarHBondContact O-N 3.4Š| ||
| 144 | P | 45.1 | Very low | 56.8 | Low | 113 Ų | 113 | 87.1 Ų | 87.1 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | trans | -72.5 | 97.6 | -170.6 | 28.1 | -34.6 | 0 | 0 | 0 | 111.5 | L146 | P144-L146 PolarHBondContact O-N 2.93Š| ||
| 145 | H | 45.3 | Very low | 58.6 | Low | 113 Ų | 113 | 89.3 Ų | 89.3 | 52% | 0.523 | 59% | 0.593 | S | S | . | * | trans | -62.1 | 98.6 | 172.7 | 175.5 | -73.6 | 0 | 0 | 0 | 110.6 | P143 Q149 | P143-H145 PolarHBondContact O-N 3.4Å; H145-Q149 PolarHBondContact NE2-O 3.49Å | ||
| 146 | L | 50.5 | Low | 60.9 | Low | 55 Ų | 55 | 85.6 Ų | 85.6 | 29% | 0.288 | 55% | 0.554 | S | S | . | * | trans | -69.5 | 135.1 | -176.8 | -61.8 | 174.9 | 0 | 0 | 0 | 110.8 | A131 P144 G148 Q149 | A131-L146 HydrophobicContact CB-CD1 4.3Å; P144-L146 PolarHBondContact O-N 2.93Å; L146-G148 PolarHBondContact O-N 2.85Å; L146-Q149 HydrophobicContact CB-CB 4.36Å; L146-Q149 PolarHBondContact O-N 3.44Å | ||
| 147 | P | 53.5 | Low | 63.5 | Low | 72 Ų | 72 | 84.7 Ų | 84.7 | 47% | 0.468 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 103.5 | 177.5 | -22.8 | 32.4 | 0 | 0 | 0 | 112.3 | K130 | K130-P147 HydrophobicContact CD-CB 4.2Å; K130-P147 HydrophobicContact CG-CB 4.21Å; K130-P147 WeakPolarHBondContact CG-O 3.42Å; K130-P147 WeakPolarHBondContact O-CD 3.2Å; K130-P147 WeakPolarHBondContact O-CG 3.41Å |
| 148 | G | 66.3 | Low | 66 | Low | 54 Ų | 54 | 87.4 Ų | 87.4 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.9 | -2.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L146 | L146-G148 PolarHBondContact O-N 2.85Š|
| 149 | Q | 71.4 | Confident | 68.4 | Low | 76 Ų | 76 | 95 Ų | 95 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | trans | -114.4 | 120.9 | 161.9 | -64.2 | -176.7 | 4.5 | 0 | 0 | 109.2 | H145 L146 T197 G198 | H145-Q149 PolarHBondContact NE2-O 3.49Å; L146-Q149 HydrophobicContact CB-CB 4.36Å; L146-Q149 PolarHBondContact O-N 3.44Å; Q149-T197 HydrophobicContact CB-CG2 4.49Å; Q149-G198 CarbonylContact C-O 3.57Å; Q149-G198 WeakPolarHBondContact CA-O 3.43Å | ||
| 150 | T | 85.4 | Confident | 71 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 23% | 0.233 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 157.9 | 169.9 | -168.4 | 0 | 0 | 0 | 0 | 110.1 | I152 T197 G198 P200 V203 | T150-I152 HydrophobicContact CG2-CG1 4.33Å; T150-T197 WeakPolarHBondContact O-CA 3.38Å; T150-G198 PolarHBondContact N-O 3.09Å; T150-G198 PolarHBondContact O-N 3.33Å; T150-G198 VanDerWaalsContact O-N 3.14Å; T150-P200 HydrophobicContact CG2-CB 4.07Å; T150-V203 HydrophobicContact CG2-CB 3.77Å; T150-V203 HydrophobicContact CG2-CG1 3.98Å; T150-V203 HydrophobicContact CG2-CG2 3.77Å |
| 151 | T | 88.4 | Confident | 73.3 | Confident | 61 Ų | 61 | 82.7 Ų | 82.7 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 105.8 | 177 | 54 | 0 | 0 | 0 | 0 | 108.9 | V196 T197 | T151-V196 WeakPolarHBondContact CA-O 3.31Å; T151-T197 HydrophobicContact CG2-CG2 3.95Å |
| 152 | I | 91.4 | Very high | 75.3 | Confident | 46 Ų | 46 | 79.2 Ų | 79.2 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.7 | 179.6 | -62.8 | -171.7 | 0 | 0 | 0 | 110.3 | T150 V154 V196 V203 | T150-I152 HydrophobicContact CG2-CG1 4.33Å; I152-V154 HydrophobicContact CG2-CG2 4.35Å; I152-V196 PolarHBondContact N-O 3.21Å; I152-V196 PolarHBondContact O-N 2.78Å; I152-V203 HydrophobicContact CB-CG1 3.63Å; I152-V203 HydrophobicContact CD1-CG1 3.79Å; I152-V203 HydrophobicContact CG1-CG1 3.66Å |
| 153 | Q | 91 | Very high | 77.8 | Confident | 144 Ų | 144 | 80.2 Ų | 80.2 | 67% | 0.673 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 109.9 | 176.6 | -74.6 | -175.4 | 27.7 | 0 | 0 | 110.3 | V193 F194 | Q153-V193 HydrophobicContact CB-CG1 3.58Å; Q153-V193 HydrophobicContact CG-CG1 3.88Å; Q153-F194 WeakPolarHBondContact CA-O 3.49Å |
| 154 | V | 92.1 | Very high | 79.9 | Confident | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.006 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 103.6 | 179.8 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | I152 V156 F194 V196 R207 I210 | I152-V154 HydrophobicContact CG2-CG2 4.35Å; V154-V156 HydrophobicContact CG1-CG1 4.31Å; V154-F194 HydrophobicContact CB-CB 4.41Å; V154-F194 PolarHBondContact N-O 3.44Å; V154-F194 PolarHBondContact O-N 3.12Å; V154-V196 HydrophobicContact CB-CG2 4.46Å; V154-V196 HydrophobicContact CG2-CG2 3.76Å; V154-R207 HydrophobicContact CG1-CG 4.33Å; V154-R207 HydrophobicContact CG2-CB 3.85Å; V154-R207 HydrophobicContact CG2-CG 3.79Å; V154-I210 HydrophobicContact CG1-CB 4.44Å; V154-I210 HydrophobicContact CG1-CD1 4.35Å; V154-I210 HydrophobicContact CG1-CG2 4.02Å |
| 155 | R | 90.8 | Very high | 82.2 | Confident | 185 Ų | 185 | 71.4 Ų | 71.4 | 70% | 0.698 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.8 | 179.4 | -167 | 178.7 | -158.6 | -171.1 | 7.7 | 110.5 | D191 V193 | R155-D191 IonicContact NH2-OD1 3.93Å; R155-V193 HydrophobicContact CB-CG2 4.23Å; R155-V193 HydrophobicContact CG-CG2 4.05Å |
| 156 | V | 90.4 | Very high | 84.4 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | trans | -131.1 | 156.4 | 178.9 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | V154 V160 V161 P192 F194 I210 I214 | V154-V156 HydrophobicContact CG1-CG1 4.31Å; V156-V160 HydrophobicContact CB-CG2 4.14Å; V156-V160 HydrophobicContact CG2-CG2 4.32Å; V156-V161 HydrophobicContact CG2-CB 4.48Å; V156-V161 HydrophobicContact CG2-CG2 3.51Å; V156-P192 HydrophobicContact CG2-CB 4.44Å; V156-P192 PolarHBondContact N-O 3.02Å; V156-P192 WeakPolarHBondContact O-CB 3.48Å; V156-P192 WeakPolarHBondContact O-CG 3.48Å; V156-F194 HydrophobicContact CG1-CD2 4.01Å; V156-F194 HydrophobicContact CG1-CE2 4.08Å; V156-F194 HydrophobicContact CG2-CD2 4.2Å; V156-F194 HydrophobicContact CG2-CE2 3.72Å; V156-I210 HydrophobicContact CG1-CG2 3.99Å; V156-I214 HydrophobicContact CB-CD1 3.82Å; V156-I214 HydrophobicContact CG1-CD1 3.52Å | ||
| 157 | P | 90.3 | Very high | 86.4 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | trans | -62.9 | 137.6 | 171.8 | -24.2 | 33.8 | 0 | 0 | 0 | 112.8 | R159 V160 V161 | P157-R159 PolarHBondContact O-N 3.07Å; P157-V160 HydrophobicContact CB-CG2 4.2Å; P157-V160 HydrophobicContact CG-CG2 4.34Å; P157-V160 VanDerWaalsContact O-CG2 3.23Å; P157-V160 WeakPolarHBondContact O-CG2 3.32Å; P157-V160 PolarHBondContact O-N 2.82Å; P157-V161 PolarHBondContact O-N 3.22Å | ||
| 158 | Y | 88.6 | Confident | 88.1 | Confident | 141 Ų | 141 | 75.6 Ų | 75.6 | 55% | 0.553 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -47.4 | -37.3 | 178 | -78.2 | -82.1 | 0 | 0 | 0 | 114 | V160 K190 P192 | Y158-V160 PolarHBondContact O-N 3.41Å; Y158-K190 WeakPolarHBondContact CE1-O 3.44Å; Y158-K190 PolarHBondContact OH-O 3.2Å; Y158-P192 HydrophobicContact CD1-CB 4.05Å; Y158-P192 HydrophobicContact CD1-CG 4.3Å; Y158-P192 HydrophobicContact CD2-CB 4.49Å; Y158-P192 HydrophobicContact CD2-CG 3.92Å; Y158-P192 HydrophobicContact CE1-CB 4.21Å; Y158-P192 HydrophobicContact CE1-CG 4.25Å; Y158-P192 HydrophobicContact CE2-CG 3.87Å; Y158-P192 HydrophobicContact CG-CB 4.21Å; Y158-P192 HydrophobicContact CG-CG 4.15Å |
| 159 | R | 86.8 | Confident | 89.3 | Confident | 239 Ų | 239 | 73.5 Ų | 73.5 | 90% | 0.902 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.2 | -27.2 | -180 | -63.4 | -175.6 | -176.7 | 179.9 | 2.5 | 113.6 | P157 | P157-R159 PolarHBondContact O-N 3.07Å |
| 160 | V | 89.1 | Confident | 90.4 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -104.5 | -10.8 | -175 | -55.4 | 0 | 0 | 0 | 0 | 114 | V156 P157 Y158 G162 L163 V164 I214 T218 | V156-V160 HydrophobicContact CB-CG2 4.14Å; V156-V160 HydrophobicContact CG2-CG2 4.32Å; P157-V160 HydrophobicContact CB-CG2 4.2Å; P157-V160 HydrophobicContact CG-CG2 4.34Å; P157-V160 VanDerWaalsContact O-CG2 3.23Å; P157-V160 WeakPolarHBondContact O-CG2 3.32Å; P157-V160 PolarHBondContact O-N 2.82Å; Y158-V160 PolarHBondContact O-N 3.41Å; V160-G162 PolarHBondContact O-N 3.33Å; V160-L163 HydrophobicContact CB-CD1 4.39Å; V160-L163 HydrophobicContact CG1-CD1 4.26Å; V160-L163 WeakPolarHBondContact O-CA 3.09Å; V160-L163 WeakPolarHBondContact O-CB 3.43Å; V160-L163 PolarHBondContact O-N 3Å; V160-V164 PolarHBondContact O-N 3.19Å; V160-I214 HydrophobicContact CB-CG1 4.29Å; V160-I214 HydrophobicContact CB-CG2 4.27Å; V160-I214 HydrophobicContact CG1-CG2 4.21Å; V160-I214 HydrophobicContact CG2-CD1 3.89Å; V160-I214 HydrophobicContact CG2-CG1 3.83Å; V160-I214 HydrophobicContact CG2-CG2 3.9Å; V160-T218 HydrophobicContact CG1-CG2 4.27Å |
| 161 | V | 89.3 | Confident | 90.9 | Very high | 26 Ų | 26 | 70.6 Ų | 70.6 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -49.8 | -46.5 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | V156 P157 L163 V164 V165 P192 F194 | V156-V161 HydrophobicContact CG2-CB 4.48Å; V156-V161 HydrophobicContact CG2-CG2 3.51Å; P157-V161 PolarHBondContact O-N 3.22Å; V161-L163 VanDerWaalsContact C-N 3.29Å; V161-L163 PolarHBondContact O-N 3.03Å; V161-V164 PolarHBondContact O-N 3.26Å; V161-V165 HydrophobicContact CG1-CG2 4.41Å; V161-V165 WeakPolarHBondContact O-CG2 3.36Å; V161-V165 PolarHBondContact O-N 2.84Å; V161-P192 HydrophobicContact CG2-CB 3.7Å; V161-F194 HydrophobicContact CG1-CZ 4.12Å |
| 162 | G | 90.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.7 | -27.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V160 G166 | V160-G162 PolarHBondContact O-N 3.33Å; G162-G166 PolarHBondContact O-N 3.1Å |
| 163 | L | 90.5 | Very high | 91.3 | Very high | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -77 | -41.9 | 176.7 | -56.3 | 177.9 | 0 | 0 | 0 | 111.2 | V160 V161 G166 | V160-L163 HydrophobicContact CB-CD1 4.39Å; V160-L163 HydrophobicContact CG1-CD1 4.26Å; V160-L163 WeakPolarHBondContact O-CA 3.09Å; V160-L163 WeakPolarHBondContact O-CB 3.43Å; V160-L163 PolarHBondContact O-N 3Å; V161-L163 VanDerWaalsContact C-N 3.29Å; V161-L163 PolarHBondContact O-N 3.03Å; L163-G166 PolarHBondContact O-N 2.99Å |
| 164 | V | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.9 | 175 | 0 | 0 | 0 | 0 | 111.4 | V160 V161 T171 I172 F194 I210 I214 | V160-V164 PolarHBondContact O-N 3.19Å; V161-V164 PolarHBondContact O-N 3.26Å; V164-T171 WeakPolarHBondContact O-CB 3.25Å; V164-T171 WeakPolarHBondContact O-CG2 3.46Å; V164-I172 HydrophobicContact CG1-CD1 4.05Å; V164-I172 PolarHBondContact O-N 3.48Å; V164-F194 HydrophobicContact CB-CE2 4.14Å; V164-F194 HydrophobicContact CB-CZ 4.01Å; V164-F194 HydrophobicContact CG1-CE1 4.37Å; V164-F194 HydrophobicContact CG1-CE2 3.68Å; V164-F194 HydrophobicContact CG1-CZ 3.58Å; V164-I210 HydrophobicContact CG1-CG1 4.27Å; V164-I210 HydrophobicContact CG1-CG2 4.09Å; V164-I210 HydrophobicContact CG2-CG2 4.31Å; V164-I214 HydrophobicContact CG2-CD1 3.9Å; V164-I214 HydrophobicContact CG2-CG1 3.47Å; V164-I214 VanDerWaalsContact CG2-CG1 3.47Å |
| 165 | V | 93.3 | Very high | 91.6 | Very high | 31 Ų | 31 | 70 Ų | 70 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.5 | -49.6 | 172.2 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | V161 G169 T171 I172 T185 F194 | V161-V165 HydrophobicContact CG1-CG2 4.41Å; V161-V165 WeakPolarHBondContact O-CG2 3.36Å; V161-V165 PolarHBondContact O-N 2.84Å; V165-G169 CarbonylContact O-C 3.31Å; V165-G169 VanDerWaalsContact O-CA 3.23Å; V165-G169 WeakPolarHBondContact O-CA 3.48Å; V165-T171 WeakPolarHBondContact O-CB 3.45Å; V165-T171 PolarHBondContact O-N 3.29Å; V165-T171 VanDerWaalsContact O-N 3.13Å; V165-I172 HydrophobicContact CB-CG2 4.46Å; V165-I172 HydrophobicContact CG1-CG2 4.28Å; V165-I172 PolarHBondContact O-N 3.28Å; V165-T185 HydrophobicContact CG2-CG2 3.54Å; V165-F194 HydrophobicContact CG2-CE1 4.13Å; V165-F194 HydrophobicContact CG2-CZ 4.16Å |
| 166 | G | 90.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 63 Ų | 63 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | trans | 72.1 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | G162 L163 K168 G169 | G162-G166 PolarHBondContact O-N 3.1Å; L163-G166 PolarHBondContact O-N 2.99Å; G166-K168 PolarHBondContact O-N 2.9Å; G166-G169 PolarHBondContact O-N 3.41Å | ||
| 167 | P | 91.8 | Very high | 92 | Very high | 108 Ų | 108 | 69.8 Ų | 69.8 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -59.2 | 127.4 | -177.5 | 24.5 | -34 | 0 | 0 | 0 | 111.2 | G169 A170 | P167-G169 PolarHBondContact O-N 2.91Å; P167-G169 VanDerWaalsContact O-N 3.09Å; P167-A170 WeakPolarHBondContact O-CB 3.19Å; P167-A170 PolarHBondContact O-N 3.37Å |
| 168 | K | 89.9 | Confident | 92.2 | Very high | 206 Ų | 206 | 71.3 Ų | 71.3 | 90% | 0.896 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | 54.2 | 22.2 | -175.7 | -56.1 | -175.9 | 179.2 | -177.9 | 0 | 114.8 | G166 A170 K173 | G166-K168 PolarHBondContact O-N 2.9Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-K173 PolarHBondContact O-NZ 3.42Å |
| 169 | G | 92 | Very high | 92.5 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | 75.5 | 14.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V165 G166 P167 T171 I172 K173 | V165-G169 CarbonylContact O-C 3.31Å; V165-G169 VanDerWaalsContact O-CA 3.23Å; V165-G169 WeakPolarHBondContact O-CA 3.48Å; G166-G169 PolarHBondContact O-N 3.41Å; P167-G169 PolarHBondContact O-N 2.91Å; P167-G169 VanDerWaalsContact O-N 3.09Å; G169-T171 VanDerWaalsContact C-N 3.29Å; G169-T171 PolarHBondContact O-N 3.25Å; G169-I172 PolarHBondContact O-N 3.28Å; G169-K173 VanDerWaalsContact O-CB 3.29Å; G169-K173 WeakPolarHBondContact O-CB 3.48Å; G169-K173 VanDerWaalsContact O-CG 3.25Å; G169-K173 WeakPolarHBondContact O-CG 3.13Å; G169-K173 PolarHBondContact O-N 2.93Å |
| 170 | A | 94.9 | Very high | 92.8 | Very high | 49 Ų | 49 | 60 Ų | 60 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -25.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P167 K168 R174 | P167-A170 WeakPolarHBondContact O-CB 3.19Å; P167-A170 PolarHBondContact O-N 3.37Å; K168-A170 VanDerWaalsContact C-N 3.31Å; A170-R174 PolarHBondContact O-N 2.9Å |
| 171 | T | 94 | Very high | 93.1 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.8 | -57.7 | 173.4 | -64.2 | 0 | 0 | 0 | 0 | 110 | V164 V165 G169 K173 R174 I175 H213 | V164-T171 WeakPolarHBondContact O-CB 3.25Å; V164-T171 WeakPolarHBondContact O-CG2 3.46Å; V165-T171 WeakPolarHBondContact O-CB 3.45Å; V165-T171 PolarHBondContact O-N 3.29Å; V165-T171 VanDerWaalsContact O-N 3.13Å; G169-T171 VanDerWaalsContact C-N 3.29Å; G169-T171 PolarHBondContact O-N 3.25Å; T171-K173 VanDerWaalsContact C-N 3.25Å; T171-K173 PolarHBondContact O-N 3.18Å; T171-R174 WeakPolarHBondContact O-CA 3.49Å; T171-R174 VanDerWaalsContact O-CB 3.31Å; T171-R174 WeakPolarHBondContact O-CB 3.46Å; T171-R174 PolarHBondContact O-N 2.88Å; T171-I175 HydrophobicContact CG2-CD1 4.07Å; T171-I175 PolarHBondContact O-N 2.89Å; T171-I175 VanDerWaalsContact O-N 3.08Å; T171-H213 WeakPolarHBondContact CG2-CE1 3.35Å; T171-H213 VanDerWaalsContact CG2-NE2 3.31Å; T171-H213 WeakPolarHBondContact CG2-NE2 3.19Å |
| 172 | I | 94.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -27.1 | -173.9 | -163.9 | 57.9 | 0 | 0 | 0 | 113 | V164 V165 G169 I175 Q176 I183 | V164-I172 HydrophobicContact CG1-CD1 4.05Å; V164-I172 PolarHBondContact O-N 3.48Å; V165-I172 HydrophobicContact CB-CG2 4.46Å; V165-I172 HydrophobicContact CG1-CG2 4.28Å; V165-I172 PolarHBondContact O-N 3.28Å; G169-I172 PolarHBondContact O-N 3.28Å; I172-I175 HydrophobicContact CD1-CB 4.46Å; I172-I175 HydrophobicContact CD1-CD1 4.17Å; I172-Q176 WeakPolarHBondContact O-CB 3.4Å; I172-Q176 VanDerWaalsContact O-CG 3.31Å; I172-Q176 WeakPolarHBondContact O-CG 3.41Å; I172-Q176 PolarHBondContact O-N 2.96Å; I172-Q176 VanDerWaalsContact O-N 3.09Å; I172-Q176 PolarHBondContact O-NE2 2.75Å; I172-I183 HydrophobicContact CD1-CB 4.28Å; I172-I183 HydrophobicContact CD1-CD1 3.75Å; I172-I183 HydrophobicContact CD1-CG2 3.97Å; I172-I183 HydrophobicContact CG1-CB 4.3Å; I172-I183 HydrophobicContact CG1-CG2 4.18Å |
| 173 | K | 95.1 | Very high | 93.6 | Very high | 132 Ų | 132 | 63.9 Ų | 63.9 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.5 | -35 | 169.4 | -74 | 170.8 | 179.4 | 167.6 | 0 | 112.7 | K168 G169 T171 Q177 | K168-K173 PolarHBondContact O-NZ 3.42Å; G169-K173 VanDerWaalsContact O-CB 3.29Å; G169-K173 WeakPolarHBondContact O-CB 3.48Å; G169-K173 VanDerWaalsContact O-CG 3.25Å; G169-K173 WeakPolarHBondContact O-CG 3.13Å; G169-K173 PolarHBondContact O-N 2.93Å; T171-K173 VanDerWaalsContact C-N 3.25Å; T171-K173 PolarHBondContact O-N 3.18Å; K173-Q177 WeakPolarHBondContact O-CB 3.48Å; K173-Q177 PolarHBondContact O-N 3.09Å |
| 174 | R | 94.2 | Very high | 93.7 | Very high | 104 Ų | 104 | 62.6 Ų | 62.6 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 175.3 | -162.4 | -159.1 | -63.5 | 96.6 | 4.6 | 110.8 | A170 T171 Q176 Q177 Q178 | A170-R174 PolarHBondContact O-N 2.9Å; T171-R174 WeakPolarHBondContact O-CA 3.49Å; T171-R174 VanDerWaalsContact O-CB 3.31Å; T171-R174 WeakPolarHBondContact O-CB 3.46Å; T171-R174 PolarHBondContact O-N 2.88Å; R174-Q176 PolarHBondContact O-N 2.73Å; R174-Q177 PolarHBondContact O-N 3.35Å; R174-Q177 VanDerWaalsContact O-N 3.1Å; R174-Q178 HydrophobicContact CG-CG 4.33Å; R174-Q178 WeakPolarHBondContact O-CB 3.48Å; R174-Q178 WeakPolarHBondContact O-CG 3.26Å; R174-Q178 PolarHBondContact O-N 2.95Å |
| 175 | I | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.5 | -50.9 | 176.9 | -59.5 | 173.9 | 0 | 0 | 0 | 109.8 | T171 I172 Q177 Q178 T179 I183 A206 E209 I210 | T171-I175 HydrophobicContact CG2-CD1 4.07Å; T171-I175 PolarHBondContact O-N 2.89Å; T171-I175 VanDerWaalsContact O-N 3.08Å; I172-I175 HydrophobicContact CD1-CB 4.46Å; I172-I175 HydrophobicContact CD1-CD1 4.17Å; I175-Q177 VanDerWaalsContact C-N 3.28Å; I175-Q177 PolarHBondContact O-N 2.8Å; I175-Q178 PolarHBondContact O-N 3.27Å; I175-T179 WeakPolarHBondContact O-CB 3.29Å; I175-T179 PolarHBondContact O-N 3.33Å; I175-T179 PolarHBondContact O-OG1 2.93Å; I175-I183 HydrophobicContact CG2-CD1 4.03Å; I175-A206 HydrophobicContact CG2-CB 4.43Å; I175-E209 HydrophobicContact CD1-CG 4.5Å; I175-E209 HydrophobicContact CG1-CG 4.09Å; I175-E209 HydrophobicContact CG2-CB 4.15Å; I175-E209 HydrophobicContact CG2-CG 4.29Å; I175-I210 HydrophobicContact CD1-CG1 4.1Å |
| 176 | Q | 94.6 | Very high | 93.3 | Very high | 38 Ų | 38 | 65.2 Ų | 65.2 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.6 | -42.4 | 174 | -78.6 | 172.4 | 90.1 | 0 | 0 | 112.8 | I172 R174 H180 T181 I183 | I172-Q176 WeakPolarHBondContact O-CB 3.4Å; I172-Q176 VanDerWaalsContact O-CG 3.31Å; I172-Q176 WeakPolarHBondContact O-CG 3.41Å; I172-Q176 PolarHBondContact O-N 2.96Å; I172-Q176 VanDerWaalsContact O-N 3.09Å; I172-Q176 PolarHBondContact O-NE2 2.75Å; R174-Q176 PolarHBondContact O-N 2.73Å; Q176-H180 VanDerWaalsContact O-CA 3.25Å; Q176-H180 WeakPolarHBondContact O-CA 3.47Å; Q176-H180 PolarHBondContact O-N 2.72Å; Q176-T181 WeakPolarHBondContact CA-O 3.42Å; Q176-T181 VanDerWaalsContact CB-O 3.3Å; Q176-T181 WeakPolarHBondContact CB-O 3.34Å; Q176-T181 WeakPolarHBondContact CG-O 3.09Å; Q176-T181 PolarHBondContact O-N 3.21Å; Q176-I183 HydrophobicContact CG-CB 3.78Å; Q176-I183 HydrophobicContact CG-CD1 3.75Å; Q176-I183 HydrophobicContact CG-CG1 3.58Å |
| 177 | Q | 95.4 | Very high | 93 | Very high | 148 Ų | 148 | 67.2 Ų | 67.2 | 69% | 0.692 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.7 | -36.7 | -179.3 | -170.3 | 174.8 | 13.4 | 0 | 0 | 113.7 | K173 R174 I175 H180 | K173-Q177 WeakPolarHBondContact O-CB 3.48Å; K173-Q177 PolarHBondContact O-N 3.09Å; R174-Q177 PolarHBondContact O-N 3.35Å; R174-Q177 VanDerWaalsContact O-N 3.1Å; I175-Q177 VanDerWaalsContact C-N 3.28Å; I175-Q177 PolarHBondContact O-N 2.8Å; Q177-H180 PolarHBondContact O-CE1 2.81Å; Q177-H180 PolarHBondContact O-ND1 3.03Å |
| 178 | Q | 94.8 | Very high | 92.4 | Very high | 99 Ų | 99 | 72.6 Ų | 72.6 | 46% | 0.463 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -78.6 | -24.7 | -179.6 | -76.1 | -174.1 | -121.3 | 0 | 0 | 113.8 | R174 I175 R205 | R174-Q178 HydrophobicContact CG-CG 4.33Å; R174-Q178 WeakPolarHBondContact O-CB 3.48Å; R174-Q178 WeakPolarHBondContact O-CG 3.26Å; R174-Q178 PolarHBondContact O-N 2.95Å; I175-Q178 PolarHBondContact O-N 3.27Å; Q178-R205 PolarHBondContact O-NH2 2.91Å |
| 179 | T | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -105.7 | -10.3 | 179.3 | 61.5 | 0 | 0 | 0 | 0 | 113 | I175 T181 N202 R205 A206 E209 | I175-T179 WeakPolarHBondContact O-CB 3.29Å; I175-T179 PolarHBondContact O-N 3.33Å; I175-T179 PolarHBondContact O-OG1 2.93Å; T179-T181 VanDerWaalsContact C-N 3.27Å; T179-T181 PolarHBondContact O-N 2.89Å; T179-T181 PolarHBondContact OG1-OG1 3.09Å; T179-N202 WeakPolarHBondContact O-CB 3.23Å; T179-N202 PolarHBondContact O-ND2 3.17Å; T179-N202 VanDerWaalsContact O-ND2 3.12Å; T179-N202 PolarHBondContact O-OD1 3.49Å; T179-R205 HydrophobicContact CG2-CB 4.27Å; T179-A206 HydrophobicContact CG2-CB 4.06Å; T179-E209 WeakPolarHBondContact CG2-OE2 3.44Å |
| 180 | H | 93.1 | Very high | 91.4 | Very high | 142 Ų | 142 | 76 Ų | 76 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 41.2 | -174.6 | -46.5 | -60.8 | 0 | 0 | 0 | 112.9 | Q176 Q177 | Q176-H180 VanDerWaalsContact O-CA 3.25Å; Q176-H180 WeakPolarHBondContact O-CA 3.47Å; Q176-H180 PolarHBondContact O-N 2.72Å; Q177-H180 PolarHBondContact O-CE1 2.81Å; Q177-H180 PolarHBondContact O-ND1 3.03Å |
| 181 | T | 95.5 | Very high | 90.9 | Very high | 11 Ų | 11 | 78 Ų | 78 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | trans | -108.9 | 158.5 | 172.8 | 58 | 0 | 0 | 0 | 0 | 110.9 | Q176 T179 V196 T197 N202 V203 A206 | Q176-T181 WeakPolarHBondContact CA-O 3.42Å; Q176-T181 VanDerWaalsContact CB-O 3.3Å; Q176-T181 WeakPolarHBondContact CB-O 3.34Å; Q176-T181 WeakPolarHBondContact CG-O 3.09Å; Q176-T181 PolarHBondContact O-N 3.21Å; T179-T181 VanDerWaalsContact C-N 3.27Å; T179-T181 PolarHBondContact O-N 2.89Å; T179-T181 PolarHBondContact OG1-OG1 3.09Å; T181-V196 HydrophobicContact CG2-CG1 4.15Å; T181-T197 WeakPolarHBondContact CA-O 3.38Å; T181-N202 HydrophobicContact CG2-CB 3.93Å; T181-N202 WeakPolarHBondContact CG2-O 3.32Å; T181-V203 HydrophobicContact CG2-CG2 4.02Å; T181-A206 HydrophobicContact CG2-CB 3.73Å | ||
| 182 | Y | 94.6 | Very high | 90.7 | Very high | 152 Ų | 152 | 78.2 Ų | 78.2 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132 | 164.7 | -178.6 | -108.1 | 0 | 0 | 0 | 108.6 | V184 T197 | Y182-V184 HydrophobicContact CD1-CG2 4.29Å; Y182-V184 HydrophobicContact CE1-CG2 3.76Å; Y182-T197 PolarHBondContact N-O 3.11Å; Y182-T197 PolarHBondContact O-N 2.9Å |
| 183 | I | 94.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 79.7 Ų | 79.7 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 112.3 | -177 | -55.1 | 174.5 | 0 | 0 | 0 | 110.8 | I172 I175 Q176 T185 F194 E195 V196 A206 I210 | I172-I183 HydrophobicContact CD1-CB 4.28Å; I172-I183 HydrophobicContact CD1-CD1 3.75Å; I172-I183 HydrophobicContact CD1-CG2 3.97Å; I172-I183 HydrophobicContact CG1-CB 4.3Å; I172-I183 HydrophobicContact CG1-CG2 4.18Å; I175-I183 HydrophobicContact CG2-CD1 4.03Å; Q176-I183 HydrophobicContact CG-CB 3.78Å; Q176-I183 HydrophobicContact CG-CD1 3.75Å; Q176-I183 HydrophobicContact CG-CG1 3.58Å; I183-T185 PolarHBondContact O-N 3.33Å; I183-F194 HydrophobicContact CG2-CB 3.93Å; I183-F194 HydrophobicContact CG2-CD1 3.83Å; I183-F194 HydrophobicContact CG2-CG 4.24Å; I183-E195 WeakPolarHBondContact CA-O 3.19Å; I183-V196 HydrophobicContact CD1-CG1 4.4Å; I183-V196 HydrophobicContact CD1-CG2 4.39Å; I183-V196 HydrophobicContact CG1-CB 4.4Å; I183-V196 HydrophobicContact CG1-CG1 4.03Å; I183-V196 HydrophobicContact CG1-CG2 4.1Å; I183-V196 HydrophobicContact CG2-CG2 4.12Å; I183-A206 HydrophobicContact CD1-CB 4.37Å; I183-I210 HydrophobicContact CD1-CD1 4.24Å |
| 184 | V | 93.3 | Very high | 90.4 | Very high | 57 Ų | 57 | 73.4 Ų | 73.4 | 35% | 0.345 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 119.4 | 173 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | Y182 E195 | Y182-V184 HydrophobicContact CD1-CG2 4.29Å; Y182-V184 HydrophobicContact CE1-CG2 3.76Å; V184-E195 HydrophobicContact CB-CB 4.02Å; V184-E195 HydrophobicContact CG2-CB 4.17Å; V184-E195 PolarHBondContact N-O 3.5Å; V184-E195 PolarHBondContact O-N 2.88Å |
| 185 | T | 90.2 | Very high | 90.4 | Very high | 61 Ų | 61 | 71.6 Ų | 71.6 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -81 | 124.4 | 171.2 | -61.1 | 0 | 0 | 0 | 0 | 109.1 | V165 I183 F194 | V165-T185 HydrophobicContact CG2-CG2 3.54Å; I183-T185 PolarHBondContact O-N 3.33Å; T185-F194 HydrophobicContact CG2-CE1 4.15Å |
| 186 | P | 87.2 | Confident | 90.4 | Very high | 24 Ų | 24 | 71.6 Ų | 71.6 | 16% | 0.156 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 150.9 | 178.4 | 26.8 | -34.4 | 0 | 0 | 0 | 111.8 | D191 V193 | P186-D191 WeakPolarHBondContact CB-O 3.23Å; P186-V193 WeakPolarHBondContact CB-O 3.33Å; P186-V193 WeakPolarHBondContact CD-O 3.35Å; P186-V193 WeakPolarHBondContact CG-O 3.29Å |
| 187 | S | 84.4 | Confident | 90.3 | Very high | 56 Ų | 56 | 71 Ų | 71 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 151.5 | 169.4 | -45.9 | 0 | 0 | 0 | 0 | 110.3 | E189 K190 | S187-E189 WeakPolarHBondContact CB-OE2 3.38Å; S187-E189 PolarHBondContact O-N 2.89Å; S187-E189 VanDerWaalsContact O-N 3.14Å; S187-K190 PolarHBondContact O-N 3.49Å; S187-K190 VanDerWaalsContact O-N 3.16Å |
| 188 | R | 79.9 | Confident | 90.1 | Very high | 220 Ų | 220 | 64.2 Ų | 64.2 | 83% | 0.83 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.5 | 179.4 | 160.9 | -177.9 | -70.3 | -158.3 | -1.1 | 112.4 | ||
| 189 | E | 80.5 | Confident | 89.9 | Confident | 154 Ų | 154 | 64.3 Ų | 64.3 | 72% | 0.72 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 6.6 | -175.6 | -52.8 | 67.7 | -147.2 | 0 | 0 | 112.5 | S187 | S187-E189 WeakPolarHBondContact CB-OE2 3.38Å; S187-E189 PolarHBondContact O-N 2.89Å; S187-E189 VanDerWaalsContact O-N 3.14Å |
| 190 | K | 80.4 | Confident | 89.7 | Confident | 133 Ų | 133 | 66.9 Ų | 66.9 | 58% | 0.578 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -121.5 | 167.4 | 179.7 | -69 | -178.9 | -179.5 | 179.4 | 0 | 110.8 | Y158 S187 | Y158-K190 WeakPolarHBondContact CE1-O 3.44Å; Y158-K190 PolarHBondContact OH-O 3.2Å; S187-K190 PolarHBondContact O-N 3.49Å; S187-K190 VanDerWaalsContact O-N 3.16Å |
| 191 | D | 82.5 | Confident | 89.5 | Confident | 93 Ų | 93 | 66 Ų | 66 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | trans | -52.7 | 144 | 171.8 | -91.3 | -68.1 | 0 | 0 | 0 | 112.3 | R155 P186 V193 | R155-D191 IonicContact NH2-OD1 3.93Å; P186-D191 WeakPolarHBondContact CB-O 3.23Å; D191-V193 HydrophobicContact CB-CG2 4.28Å; D191-V193 PolarHBondContact O-N 3.35Å | ||
| 192 | P | 90 | Very high | 89.4 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -84 | 59.4 | -171.2 | 37.1 | -37.2 | 0 | 0 | 0 | 110.8 | V156 Y158 V161 | V156-P192 HydrophobicContact CG2-CB 4.44Å; V156-P192 PolarHBondContact N-O 3.02Å; V156-P192 WeakPolarHBondContact O-CB 3.48Å; V156-P192 WeakPolarHBondContact O-CG 3.48Å; Y158-P192 HydrophobicContact CD1-CB 4.05Å; Y158-P192 HydrophobicContact CD1-CG 4.3Å; Y158-P192 HydrophobicContact CD2-CB 4.49Å; Y158-P192 HydrophobicContact CD2-CG 3.92Å; Y158-P192 HydrophobicContact CE1-CB 4.21Å; Y158-P192 HydrophobicContact CE1-CG 4.25Å; Y158-P192 HydrophobicContact CE2-CG 3.87Å; Y158-P192 HydrophobicContact CG-CB 4.21Å; Y158-P192 HydrophobicContact CG-CG 4.15Å; V161-P192 HydrophobicContact CG2-CB 3.7Å |
| 193 | V | 90.6 | Very high | 89.4 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 21% | 0.212 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120 | -177.8 | 177.9 | 0 | 0 | 0 | 0 | 109 | Q153 R155 P186 D191 | Q153-V193 HydrophobicContact CB-CG1 3.58Å; Q153-V193 HydrophobicContact CG-CG1 3.88Å; R155-V193 HydrophobicContact CB-CG2 4.23Å; R155-V193 HydrophobicContact CG-CG2 4.05Å; P186-V193 WeakPolarHBondContact CB-O 3.33Å; P186-V193 WeakPolarHBondContact CD-O 3.35Å; P186-V193 WeakPolarHBondContact CG-O 3.29Å; D191-V193 HydrophobicContact CB-CG2 4.28Å; D191-V193 PolarHBondContact O-N 3.35Å |
| 194 | F | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.3 | 168.3 | -68.3 | -80.1 | 0 | 0 | 0 | 109.5 | Q153 V154 V156 V161 V164 V165 I183 T185 V196 | Q153-F194 WeakPolarHBondContact CA-O 3.49Å; V154-F194 HydrophobicContact CB-CB 4.41Å; V154-F194 PolarHBondContact N-O 3.44Å; V154-F194 PolarHBondContact O-N 3.12Å; V156-F194 HydrophobicContact CG1-CD2 4.01Å; V156-F194 HydrophobicContact CG1-CE2 4.08Å; V156-F194 HydrophobicContact CG2-CD2 4.2Å; V156-F194 HydrophobicContact CG2-CE2 3.72Å; V161-F194 HydrophobicContact CG1-CZ 4.12Å; V164-F194 HydrophobicContact CB-CE2 4.14Å; V164-F194 HydrophobicContact CB-CZ 4.01Å; V164-F194 HydrophobicContact CG1-CE1 4.37Å; V164-F194 HydrophobicContact CG1-CE2 3.68Å; V164-F194 HydrophobicContact CG1-CZ 3.58Å; V165-F194 HydrophobicContact CG2-CE1 4.13Å; V165-F194 HydrophobicContact CG2-CZ 4.16Å; I183-F194 HydrophobicContact CG2-CB 3.93Å; I183-F194 HydrophobicContact CG2-CD1 3.83Å; I183-F194 HydrophobicContact CG2-CG 4.24Å; T185-F194 HydrophobicContact CG2-CE1 4.15Å; F194-V196 HydrophobicContact CB-CG2 4.42Å |
| 195 | E | 93.7 | Very high | 89.4 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 114.7 | 170.3 | -166.8 | -177.5 | 127.4 | 0 | 0 | 108.2 | I183 V184 | I183-E195 WeakPolarHBondContact CA-O 3.19Å; V184-E195 HydrophobicContact CB-CB 4.02Å; V184-E195 HydrophobicContact CG2-CB 4.17Å; V184-E195 PolarHBondContact N-O 3.5Å; V184-E195 PolarHBondContact O-N 2.88Å |
| 196 | V | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.7 | -174.5 | -176.2 | 0 | 0 | 0 | 0 | 109 | T151 I152 V154 T181 I183 F194 V203 A206 I210 | T151-V196 WeakPolarHBondContact CA-O 3.31Å; I152-V196 PolarHBondContact N-O 3.21Å; I152-V196 PolarHBondContact O-N 2.78Å; V154-V196 HydrophobicContact CB-CG2 4.46Å; V154-V196 HydrophobicContact CG2-CG2 3.76Å; T181-V196 HydrophobicContact CG2-CG1 4.15Å; I183-V196 HydrophobicContact CD1-CG1 4.4Å; I183-V196 HydrophobicContact CD1-CG2 4.39Å; I183-V196 HydrophobicContact CG1-CB 4.4Å; I183-V196 HydrophobicContact CG1-CG1 4.03Å; I183-V196 HydrophobicContact CG1-CG2 4.1Å; I183-V196 HydrophobicContact CG2-CG2 4.12Å; F194-V196 HydrophobicContact CB-CG2 4.42Å; V196-V203 HydrophobicContact CB-CG1 4.13Å; V196-V203 HydrophobicContact CG1-CB 4.3Å; V196-V203 HydrophobicContact CG1-CG1 3.76Å; V196-V203 HydrophobicContact CG1-CG2 4.21Å; V196-A206 HydrophobicContact CG1-CB 3.78Å; V196-I210 HydrophobicContact CG2-CD1 4.25Å |
| 197 | T | 92.6 | Very high | 89.9 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 16% | 0.16 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.6 | -174.2 | -54.1 | 0 | 0 | 0 | 0 | 111 | Q149 T150 T151 T181 Y182 | Q149-T197 HydrophobicContact CB-CG2 4.49Å; T150-T197 WeakPolarHBondContact O-CA 3.38Å; T151-T197 HydrophobicContact CG2-CG2 3.95Å; T181-T197 WeakPolarHBondContact CA-O 3.38Å; Y182-T197 PolarHBondContact N-O 3.11Å; Y182-T197 PolarHBondContact O-N 2.9Å |
| 198 | G | 92.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 70 Ų | 70 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | -173 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q149 T150 V203 | Q149-G198 CarbonylContact C-O 3.57Å; Q149-G198 WeakPolarHBondContact CA-O 3.43Å; T150-G198 PolarHBondContact N-O 3.09Å; T150-G198 PolarHBondContact O-N 3.33Å; T150-G198 VanDerWaalsContact O-N 3.14Å; G198-V203 VanDerWaalsContact N-CG2 3.29Å; G198-V203 WeakPolarHBondContact O-CG2 3.37Å |
| 199 | M | 89.9 | Confident | 91 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 49% | 0.493 | 30% | 0.295 | S | S | . | . | trans | -61.6 | 145.2 | 171.5 | -58.4 | -171.4 | -55.7 | 0 | 0 | 110 | E201 N202 V203 | M199-E201 VanDerWaalsContact C-N 3.34Å; M199-E201 PolarHBondContact O-N 3Å; M199-N202 HydrophobicContact CB-CB 4.39Å; M199-N202 WeakPolarHBondContact CE-ND2 3.26Å; M199-N202 WeakPolarHBondContact O-CA 3.43Å; M199-N202 VanDerWaalsContact O-CB 3.32Å; M199-N202 WeakPolarHBondContact O-CB 3.39Å; M199-N202 PolarHBondContact O-N 3.3Å; M199-V203 WeakPolarHBondContact O-CG2 3.27Å; M199-V203 PolarHBondContact O-N 3.26Å | ||
| 200 | P | 90.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.2 | -44.4 | -171.7 | 19 | -29.2 | 0 | 0 | 0 | 113.5 | T150 N202 V203 D204 | T150-P200 HydrophobicContact CG2-CB 4.07Å; P200-N202 PolarHBondContact O-N 3.4Å; P200-N202 VanDerWaalsContact O-N 3.15Å; P200-V203 PolarHBondContact O-N 3.44Å; P200-V203 VanDerWaalsContact O-N 3.09Å; P200-D204 PolarHBondContact O-N 3.07Å |
| 201 | E | 88.8 | Confident | 92.1 | Very high | 125 Ų | 125 | 51.6 Ų | 51.6 | 58% | 0.584 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.3 | -26 | 178.4 | -49.9 | 78.8 | -174.8 | 0 | 0 | 112.7 | M199 R205 | M199-E201 VanDerWaalsContact C-N 3.34Å; M199-E201 PolarHBondContact O-N 3Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å; E201-R205 VanDerWaalsContact O-CG 3.26Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å |
| 202 | N | 94.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -85.5 | -37 | 176.4 | -78 | -3.4 | 0 | 0 | 0 | 112 | T179 T181 M199 P200 A206 | T179-N202 WeakPolarHBondContact O-CB 3.23Å; T179-N202 PolarHBondContact O-ND2 3.17Å; T179-N202 VanDerWaalsContact O-ND2 3.12Å; T179-N202 PolarHBondContact O-OD1 3.49Å; T181-N202 HydrophobicContact CG2-CB 3.93Å; T181-N202 WeakPolarHBondContact CG2-O 3.32Å; M199-N202 HydrophobicContact CB-CB 4.39Å; M199-N202 WeakPolarHBondContact CE-ND2 3.26Å; M199-N202 WeakPolarHBondContact O-CA 3.43Å; M199-N202 VanDerWaalsContact O-CB 3.32Å; M199-N202 WeakPolarHBondContact O-CB 3.39Å; M199-N202 PolarHBondContact O-N 3.3Å; P200-N202 PolarHBondContact O-N 3.4Å; P200-N202 VanDerWaalsContact O-N 3.15Å; N202-A206 WeakPolarHBondContact O-CB 3.1Å; N202-A206 PolarHBondContact O-N 3.41Å |
| 203 | V | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.4 | -41.4 | 179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | T150 I152 T181 V196 G198 M199 P200 R205 A206 R207 | T150-V203 HydrophobicContact CG2-CB 3.77Å; T150-V203 HydrophobicContact CG2-CG1 3.98Å; T150-V203 HydrophobicContact CG2-CG2 3.77Å; I152-V203 HydrophobicContact CB-CG1 3.63Å; I152-V203 HydrophobicContact CD1-CG1 3.79Å; I152-V203 HydrophobicContact CG1-CG1 3.66Å; T181-V203 HydrophobicContact CG2-CG2 4.02Å; V196-V203 HydrophobicContact CB-CG1 4.13Å; V196-V203 HydrophobicContact CG1-CB 4.3Å; V196-V203 HydrophobicContact CG1-CG1 3.76Å; V196-V203 HydrophobicContact CG1-CG2 4.21Å; G198-V203 VanDerWaalsContact N-CG2 3.29Å; G198-V203 WeakPolarHBondContact O-CG2 3.37Å; M199-V203 WeakPolarHBondContact O-CG2 3.27Å; M199-V203 PolarHBondContact O-N 3.26Å; P200-V203 PolarHBondContact O-N 3.44Å; P200-V203 VanDerWaalsContact O-N 3.09Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.26Å; V203-A206 PolarHBondContact O-N 3.18Å; V203-R207 WeakPolarHBondContact O-CB 3.37Å; V203-R207 PolarHBondContact O-N 3.2Å |
| 204 | D | 93.1 | Very high | 92.4 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 174.3 | -70.5 | -34.8 | 0 | 0 | 0 | 111.1 | P200 A206 R207 E208 | P200-D204 PolarHBondContact O-N 3.07Å; D204-A206 PolarHBondContact O-N 3.1Å; D204-R207 WeakPolarHBondContact O-CB 3.47Å; D204-R207 PolarHBondContact O-N 3.33Å; D204-E208 WeakPolarHBondContact O-CB 3.45Å; D204-E208 PolarHBondContact O-N 3.13Å |
| 205 | R | 94.4 | Very high | 92.1 | Very high | 116 Ų | 116 | 54.3 Ų | 54.3 | 44% | 0.438 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 172.7 | -76.4 | 177.8 | 59.3 | -134.4 | -12.2 | 113.3 | Q178 T179 E201 V203 E208 E209 | Q178-R205 PolarHBondContact O-NH2 2.91Å; T179-R205 HydrophobicContact CG2-CB 4.27Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å; E201-R205 VanDerWaalsContact O-CG 3.26Å; E201-R205 WeakPolarHBondContact O-CG 3.32Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.26Å; R205-E208 PolarHBondContact O-N 3.26Å; R205-E209 WeakPolarHBondContact O-CB 3.45Å; R205-E209 PolarHBondContact O-N 3.42Å |
| 206 | A | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I175 T179 T181 I183 V196 N202 V203 D204 I210 | I175-A206 HydrophobicContact CG2-CB 4.43Å; T179-A206 HydrophobicContact CG2-CB 4.06Å; T181-A206 HydrophobicContact CG2-CB 3.73Å; I183-A206 HydrophobicContact CD1-CB 4.37Å; V196-A206 HydrophobicContact CG1-CB 3.78Å; N202-A206 WeakPolarHBondContact O-CB 3.1Å; N202-A206 PolarHBondContact O-N 3.41Å; V203-A206 PolarHBondContact O-N 3.18Å; D204-A206 PolarHBondContact O-N 3.1Å; A206-I210 WeakPolarHBondContact O-CD1 3.42Å; A206-I210 VanDerWaalsContact O-CG1 3.26Å; A206-I210 WeakPolarHBondContact O-CG1 3.43Å; A206-I210 PolarHBondContact O-N 3.4Å |
| 207 | R | 94 | Very high | 90.9 | Very high | 104 Ų | 104 | 64.7 Ų | 64.7 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -51.3 | 171.3 | 174.5 | 177.4 | 173 | -124.2 | -28.3 | 111.2 | V154 V203 D204 E209 I210 E211 | V154-R207 HydrophobicContact CG1-CG 4.33Å; V154-R207 HydrophobicContact CG2-CB 3.85Å; V154-R207 HydrophobicContact CG2-CG 3.79Å; V203-R207 WeakPolarHBondContact O-CB 3.37Å; V203-R207 PolarHBondContact O-N 3.2Å; D204-R207 WeakPolarHBondContact O-CB 3.47Å; D204-R207 PolarHBondContact O-N 3.33Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 3.31Å; R207-I210 PolarHBondContact O-N 3.2Å; R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 IonicContact CZ-OE1 3.2Å; R207-E211 VanDerWaalsContact CZ-OE1 3.24Å; R207-E211 IonicContact CZ-OE2 2.71Å; R207-E211 IonicContact NE-OE1 3.5Å; R207-E211 PolarHBondContact NE-OE1 2.9Å; R207-E211 IonicContact NE-OE2 3.56Å; R207-E211 IonicContact NH2-OE1 3.93Å; R207-E211 PolarHBondContact NH2-OE1 3.17Å; R207-E211 IonicContact NH2-OE2 2.72Å; R207-E211 PolarHBondContact NH2-OE2 2.91Å; R207-E211 WeakPolarHBondContact O-CG 3.44Å; R207-E211 PolarHBondContact O-N 2.89Å |
| 208 | E | 92.9 | Very high | 90.4 | Very high | 123 Ų | 123 | 65.8 Ų | 65.8 | 58% | 0.575 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.2 | -42.4 | 176.7 | -175.9 | -176.6 | -158.7 | 0 | 0 | 111.6 | D204 R205 I210 E211 T212 | D204-E208 WeakPolarHBondContact O-CB 3.45Å; D204-E208 PolarHBondContact O-N 3.13Å; R205-E208 PolarHBondContact O-N 3.26Å; E208-I210 PolarHBondContact O-N 3.26Å; E208-E211 PolarHBondContact O-N 2.97Å; E208-T212 WeakPolarHBondContact O-CB 3.36Å; E208-T212 PolarHBondContact O-N 3.48Å; E208-T212 PolarHBondContact O-OG1 3.32Å |
| 209 | E | 92.9 | Very high | 89 | Confident | 46 Ų | 46 | 69 Ų | 69 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65 | -38.8 | 177.4 | -165.4 | 176.5 | 163.1 | 0 | 0 | 111.4 | I175 T179 R205 R207 H213 | I175-E209 HydrophobicContact CD1-CG 4.5Å; I175-E209 HydrophobicContact CG1-CG 4.09Å; I175-E209 HydrophobicContact CG2-CB 4.15Å; I175-E209 HydrophobicContact CG2-CG 4.29Å; T179-E209 WeakPolarHBondContact CG2-OE2 3.44Å; R205-E209 WeakPolarHBondContact O-CB 3.45Å; R205-E209 PolarHBondContact O-N 3.42Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 3.31Å; E209-H213 WeakPolarHBondContact O-CB 3.18Å; E209-H213 PolarHBondContact O-N 2.81Å |
| 210 | I | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.1 | -52.2 | 172.7 | -69.2 | 162.1 | 0 | 0 | 0 | 111.4 | V154 V156 V164 I175 I183 V196 A206 R207 E208 T212 H213 I214 | V154-I210 HydrophobicContact CG1-CB 4.44Å; V154-I210 HydrophobicContact CG1-CD1 4.35Å; V154-I210 HydrophobicContact CG1-CG2 4.02Å; V156-I210 HydrophobicContact CG1-CG2 3.99Å; V164-I210 HydrophobicContact CG1-CG1 4.27Å; V164-I210 HydrophobicContact CG1-CG2 4.09Å; V164-I210 HydrophobicContact CG2-CG2 4.31Å; I175-I210 HydrophobicContact CD1-CG1 4.1Å; I183-I210 HydrophobicContact CD1-CD1 4.24Å; V196-I210 HydrophobicContact CG2-CD1 4.25Å; A206-I210 WeakPolarHBondContact O-CD1 3.42Å; A206-I210 VanDerWaalsContact O-CG1 3.26Å; A206-I210 WeakPolarHBondContact O-CG1 3.43Å; A206-I210 PolarHBondContact O-N 3.4Å; R207-I210 PolarHBondContact O-N 3.2Å; E208-I210 PolarHBondContact O-N 3.26Å; I210-T212 VanDerWaalsContact C-N 3.33Å; I210-T212 PolarHBondContact O-N 3.37Å; I210-H213 PolarHBondContact O-N 2.73Å; I210-I214 HydrophobicContact CG2-CD1 3.9Å; I210-I214 WeakPolarHBondContact O-CG1 3.44Å; I210-I214 PolarHBondContact O-N 3.34Å |
| 211 | E | 91.3 | Very high | 84.8 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 36% | 0.355 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | -177 | -70.7 | 176.2 | -172.5 | 0 | 0 | 111.2 | R207 E208 I214 T215 | R207-E211 WeakPolarHBondContact CG-OE1 3.49Å; R207-E211 IonicContact CZ-OE1 3.2Å; R207-E211 VanDerWaalsContact CZ-OE1 3.24Å; R207-E211 IonicContact CZ-OE2 2.71Å; R207-E211 IonicContact NE-OE1 3.5Å; R207-E211 PolarHBondContact NE-OE1 2.9Å; R207-E211 IonicContact NE-OE2 3.56Å; R207-E211 IonicContact NH2-OE1 3.93Å; R207-E211 PolarHBondContact NH2-OE1 3.17Å; R207-E211 IonicContact NH2-OE2 2.72Å; R207-E211 PolarHBondContact NH2-OE2 2.91Å; R207-E211 WeakPolarHBondContact O-CG 3.44Å; R207-E211 PolarHBondContact O-N 2.89Å; E208-E211 PolarHBondContact O-N 2.97Å; E211-I214 PolarHBondContact O-N 3.39Å; E211-T215 WeakPolarHBondContact O-CB 3.32Å; E211-T215 PolarHBondContact O-N 3.16Å; E211-T215 PolarHBondContact O-OG1 3.41Å |
| 212 | T | 89.6 | Confident | 82.9 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | E208 I210 I214 T215 L216 | E208-T212 WeakPolarHBondContact O-CB 3.36Å; E208-T212 PolarHBondContact O-N 3.48Å; E208-T212 PolarHBondContact O-OG1 3.32Å; I210-T212 VanDerWaalsContact C-N 3.33Å; I210-T212 PolarHBondContact O-N 3.37Å; T212-I214 VanDerWaalsContact C-N 3.32Å; T212-I214 PolarHBondContact O-N 2.77Å; T212-T215 PolarHBondContact O-N 2.91Å; T212-L216 HydrophobicContact CG2-CD1 3.63Å; T212-L216 HydrophobicContact CG2-CG 4.04Å; T212-L216 WeakPolarHBondContact O-CB 2.95Å; T212-L216 WeakPolarHBondContact O-CG 3.17Å; T212-L216 PolarHBondContact O-N 3.02Å |
| 213 | H | 90.1 | Very high | 80.5 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 11% | 0.111 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -37.3 | 179.4 | -163.5 | 95.6 | 0 | 0 | 0 | 112.6 | T171 E209 I210 R217 | T171-H213 WeakPolarHBondContact CG2-CE1 3.35Å; T171-H213 VanDerWaalsContact CG2-NE2 3.31Å; T171-H213 WeakPolarHBondContact CG2-NE2 3.19Å; E209-H213 WeakPolarHBondContact O-CB 3.18Å; E209-H213 PolarHBondContact O-N 2.81Å; I210-H213 PolarHBondContact O-N 2.73Å; H213-R217 PolarHBondContact CE1-NE 3.06Å; H213-R217 PolarHBondContact CE1-NH1 3Å; H213-R217 VanDerWaalsContact CE1-NH1 3.29Å; H213-R217 VanDerWaalsContact NE2-CD 3.29Å; H213-R217 WeakPolarHBondContact NE2-CD 3.46Å; H213-R217 VanDerWaalsContact NE2-CZ 3.32Å; H213-R217 PolarHBondContact NE2-NE 3.32Å; H213-R217 PolarHBondContact NE2-NH1 3.28Å; H213-R217 WeakPolarHBondContact O-CB 3.37Å; H213-R217 PolarHBondContact O-N 3.15Å |
| 214 | I | 90.1 | Very high | 78.4 | Confident | 24 Ų | 24 | 82.1 Ų | 82.1 | 12% | 0.123 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.5 | -53.4 | 172.5 | -68.4 | 163.5 | 0 | 0 | 0 | 109.6 | V156 V160 V164 I210 E211 T212 R217 T218 | V156-I214 HydrophobicContact CB-CD1 3.82Å; V156-I214 HydrophobicContact CG1-CD1 3.52Å; V160-I214 HydrophobicContact CB-CG1 4.29Å; V160-I214 HydrophobicContact CB-CG2 4.27Å; V160-I214 HydrophobicContact CG1-CG2 4.21Å; V160-I214 HydrophobicContact CG2-CD1 3.89Å; V160-I214 HydrophobicContact CG2-CG1 3.83Å; V160-I214 HydrophobicContact CG2-CG2 3.9Å; V164-I214 HydrophobicContact CG2-CD1 3.9Å; V164-I214 HydrophobicContact CG2-CG1 3.47Å; V164-I214 VanDerWaalsContact CG2-CG1 3.47Å; I210-I214 HydrophobicContact CG2-CD1 3.9Å; I210-I214 WeakPolarHBondContact O-CG1 3.44Å; I210-I214 PolarHBondContact O-N 3.34Å; E211-I214 PolarHBondContact O-N 3.39Å; T212-I214 VanDerWaalsContact C-N 3.32Å; T212-I214 PolarHBondContact O-N 2.77Å; I214-R217 PolarHBondContact O-N 2.98Å; I214-T218 VanDerWaalsContact O-CB 3.26Å; I214-T218 WeakPolarHBondContact O-CB 3.49Å; I214-T218 PolarHBondContact O-N 3.43Å; I214-T218 PolarHBondContact O-OG1 3Å |
| 215 | T | 86.2 | Confident | 76.1 | Confident | 82 Ų | 82 | 83.9 Ų | 83.9 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -52.7 | -174.4 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | E211 T212 R217 G219 | E211-T215 WeakPolarHBondContact O-CB 3.32Å; E211-T215 PolarHBondContact O-N 3.16Å; E211-T215 PolarHBondContact O-OG1 3.41Å; T212-T215 PolarHBondContact O-N 2.91Å; T215-R217 VanDerWaalsContact C-N 3.3Å; T215-R217 PolarHBondContact O-N 3.35Å; T215-G219 PolarHBondContact O-N 3.41Å |
| 216 | L | 83.9 | Confident | 73.8 | Confident | 137 Ų | 137 | 81.4 Ų | 81.4 | 72% | 0.717 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.3 | -28.3 | -177.6 | -69.3 | 178.3 | 0 | 0 | 0 | 114.2 | T212 | T212-L216 HydrophobicContact CG2-CD1 3.63Å; T212-L216 HydrophobicContact CG2-CG 4.04Å; T212-L216 WeakPolarHBondContact O-CB 2.95Å; T212-L216 WeakPolarHBondContact O-CG 3.17Å; T212-L216 PolarHBondContact O-N 3.02Å |
| 217 | R | 79.3 | Confident | 71.5 | Confident | 147 Ų | 147 | 88.6 Ų | 88.6 | 56% | 0.555 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -101.1 | -24.6 | -176.3 | -70.7 | -173.5 | 168.5 | -167.5 | -12.7 | 114.9 | H213 I214 T215 | H213-R217 PolarHBondContact CE1-NE 3.06Å; H213-R217 PolarHBondContact CE1-NH1 3Å; H213-R217 VanDerWaalsContact CE1-NH1 3.29Å; H213-R217 VanDerWaalsContact NE2-CD 3.29Å; H213-R217 WeakPolarHBondContact NE2-CD 3.46Å; H213-R217 VanDerWaalsContact NE2-CZ 3.32Å; H213-R217 PolarHBondContact NE2-NE 3.32Å; H213-R217 PolarHBondContact NE2-NH1 3.28Å; H213-R217 WeakPolarHBondContact O-CB 3.37Å; H213-R217 PolarHBondContact O-N 3.15Å; I214-R217 PolarHBondContact O-N 2.98Å; T215-R217 VanDerWaalsContact C-N 3.3Å; T215-R217 PolarHBondContact O-N 3.35Å |
| 218 | T | 81.5 | Confident | 69.4 | Low | 50 Ų | 50 | 89.7 Ų | 89.7 | 31% | 0.307 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -81 | -26.5 | 175 | -42.6 | 0 | 0 | 0 | 0 | 110.3 | V160 I214 T220 | V160-T218 HydrophobicContact CG1-CG2 4.27Å; I214-T218 VanDerWaalsContact O-CB 3.26Å; I214-T218 WeakPolarHBondContact O-CB 3.49Å; I214-T218 PolarHBondContact O-N 3.43Å; I214-T218 PolarHBondContact O-OG1 3Å; T218-T220 WeakPolarHBondContact CG2-OG1 3.49Å; T218-T220 PolarHBondContact O-N 2.78Å |
| 219 | G | 62.8 | Low | 67.4 | Low | 72 Ų | 72 | 92 Ų | 92 | 74% | 0.742 | 51% | 0.509 | S | S | * | . | trans | 71 | -12.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T215 | T215-G219 PolarHBondContact O-N 3.41Š| ||
| 220 | T | 51.4 | Low | 65.3 | Low | 80 Ų | 80 | 98.3 Ų | 98.3 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -98 | 120.8 | 171.2 | 57.9 | 0 | 0 | 0 | 0 | 109.9 | T218 V222 | T218-T220 WeakPolarHBondContact CG2-OG1 3.49Å; T218-T220 PolarHBondContact O-N 2.78Å; T220-V222 PolarHBondContact O-N 2.87Å |
| 221 | F | 41.6 | Very low | 63.3 | Low | 160 Ų | 160 | 106 Ų | 106 | 70% | 0.702 | 57% | 0.571 | S | S | * | * | trans | -53.6 | 106.6 | 152.2 | 170.7 | -122.2 | 0 | 0 | 0 | 107.9 | D223 | F221-D223 VanDerWaalsContact C-N 3.3Å; F221-D223 HydrophobicContact CD1-CB 3.94Å; F221-D223 HydrophobicContact CE1-CB 3.38Å; F221-D223 VanDerWaalsContact CE1-OD2 3.25Å; F221-D223 WeakPolarHBondContact CE1-OD2 3.47Å; F221-D223 HydrophobicContact CE2-CB 4.37Å; F221-D223 HydrophobicContact CZ-CB 3.63Å; F221-D223 WeakPolarHBondContact CZ-OD2 3.46Å; F221-D223 PolarHBondContact O-N 2.7Å | ||
| 222 | V | 49.6 | Very low | 61.4 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | trans | -81.4 | 92 | 163.7 | 179 | 0 | 0 | 0 | 0 | 104.8 | T220 L224 | T220-V222 PolarHBondContact O-N 2.87Å; V222-L224 PolarHBondContact O-N 2.9Å | ||
| 223 | D | 43 | Very low | 59.3 | Low | 88 Ų | 88 | 113.7 Ų | 113.7 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | trans | -60.3 | 131.8 | 169.5 | -154.6 | -17.2 | 0 | 0 | 0 | 108.7 | F221 Q225 | F221-D223 VanDerWaalsContact C-N 3.3Å; F221-D223 HydrophobicContact CD1-CB 3.94Å; F221-D223 HydrophobicContact CE1-CB 3.38Å; F221-D223 VanDerWaalsContact CE1-OD2 3.25Å; F221-D223 WeakPolarHBondContact CE1-OD2 3.47Å; F221-D223 HydrophobicContact CE2-CB 4.37Å; F221-D223 HydrophobicContact CZ-CB 3.63Å; F221-D223 WeakPolarHBondContact CZ-OD2 3.46Å; F221-D223 PolarHBondContact O-N 2.7Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.23Å; D223-Q225 PolarHBondContact OD1-N 3.41Å | ||
| 224 | L | 49.2 | Very low | 57 | Low | 157 Ų | 157 | 115.9 Ų | 115.9 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | trans | -105.3 | 19.5 | 168.3 | -74.5 | 178 | 0 | 0 | 0 | 111.6 | V222 G226 | V222-L224 PolarHBondContact O-N 2.9Å; L224-G226 PolarHBondContact O-N 2.83Å; L224-G226 VanDerWaalsContact O-N 3.08Å | ||
| 225 | Q | 45.2 | Very low | 54.6 | Low | 124 Ų | 124 | 121.8 Ų | 121.8 | 58% | 0.579 | 68% | 0.684 | S | S | * | * | trans | -78.7 | 51.3 | 158.8 | -161.1 | 62.1 | 17 | 0 | 0 | 111.3 | D223 | D223-Q225 WeakPolarHBondContact OD1-CB 3.23Å; D223-Q225 PolarHBondContact OD1-N 3.41Å | ||
| 226 | G | 47.1 | Very low | 52.6 | Low | 63 Ų | 63 | 124.6 Ų | 124.6 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | trans | -85.5 | -8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L224 | L224-G226 PolarHBondContact O-N 2.83Å; L224-G226 VanDerWaalsContact O-N 3.08Å | ||
| 227 | D | 45.6 | Very low | 50.5 | Low | 152 Ų | 152 | 124.2 Ų | 124.2 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -136.7 | 67.8 | -171.1 | -73 | -74.2 | 0 | 0 | 0 | 111.4 | ||
| 228 | N | 51.2 | Low | 48.4 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | trans | -157.3 | -13.5 | 167.1 | -104.5 | -74 | 0 | 0 | 0 | 115.8 | F230 | N228-F230 PolarHBondContact O-N 3.07Š| ||
| 229 | D | 50.1 | Low | 46.6 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 93% | 0.925 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 56.9 | -174.6 | -115.5 | -13.9 | 0 | 0 | 0 | 113.5 | ||
| 230 | F | 49.8 | Very low | 45.6 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -12.3 | 176.7 | -167.6 | -108.6 | 0 | 0 | 0 | 114.7 | N228 | N228-F230 PolarHBondContact O-N 3.07Š|
| 231 | H | 51.9 | Low | 44.7 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -127.1 | 33.1 | -169.4 | -72.9 | 157.5 | 0 | 0 | 0 | 116.8 | ||
| 232 | T | 50 | Low | 44.7 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -153.4 | 67.3 | 154.7 | 11.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 233 | N | 45.7 | Very low | 43.9 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -143.2 | 118.5 | 140.2 | -143.7 | -10.6 | 0 | 0 | 0 | 109.4 | ||
| 234 | G | 42.3 | Very low | 43.5 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -71.3 | 136.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D236 | G234-D236 PolarHBondContact O-N 3.42Š| ||
| 235 | T | 40.1 | Very low | 42.8 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -76.1 | 116.6 | 173.9 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 236 | D | 42.6 | Very low | 42.4 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -142.2 | 169.7 | 139.6 | 75.9 | -91.2 | 0 | 0 | 0 | 111.1 | G234 | G234-D236 PolarHBondContact O-N 3.42Š| ||
| 237 | V | 41 | Very low | 41.6 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 82% | 0.824 | S | S | * | * | trans | 78.3 | 53.7 | -173.6 | -48.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 238 | S | 35.8 | Very low | 40.9 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -169.5 | 152.8 | 142.4 | -85 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 239 | L | 43 | Very low | 39.9 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | cis | -166.7 | 84.3 | -21.8 | 172 | 60.6 | 0 | 0 | 0 | 107.8 | ||||
| 240 | E | 41 | Very low | 39 | Very low | 206 Ų | 206 | 131.2 Ų | 131.2 | 96% | 0.963 | 82% | 0.822 | S | S | * | * | trans | -161.2 | 134.9 | 167.4 | -117.6 | 171.2 | 130.1 | 0 | 0 | 110.9 | ||||
| 241 | G | 32.8 | Very low | 38.3 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 165.1 | 90.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 242 | L | 41.9 | Very low | 37.6 | Very low | 186 Ų | 186 | 125.2 Ų | 125.2 | 97% | 0.974 | 83% | 0.826 | S | S | * | * | trans | -74.5 | 138.1 | -178.5 | -72.8 | 161 | 0 | 0 | 0 | 112.3 | ||||
| 243 | G | 32.1 | Very low | 37 | Very low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 83% | 0.825 | S | S | * | * | trans | 114.1 | 113.8 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 244 | S | 35.6 | Very low | 36.5 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | 64.9 | 126.9 | 127.6 | -77.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 245 | L | 35.1 | Very low | 36 | Very low | 173 Ų | 173 | 131 Ų | 131 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | 97.7 | 129.1 | 148.8 | -61.8 | 161.7 | 0 | 0 | 0 | 120.5 | ||||
| 246 | S | 35.1 | Very low | 35.5 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | 80.5 | 74.7 | 141.2 | -165.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 247 | G | 31.6 | Very low | 34.8 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | 75.5 | 158.8 | 138 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 248 | G | 29.5 | Very low | 34.3 | Very low | 65 Ų | 65 | 132.7 Ų | 132.7 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | cis | 160.6 | 150.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 249 | L | 31.2 | Very low | 34.1 | Very low | 190 Ų | 190 | 132 Ų | 132 | 100% | 0.995 | 82% | 0.818 | S | S | * | * | trans | 67.3 | 142.9 | 176.3 | -40.3 | 175.8 | 0 | 0 | 0 | 114.7 | ||||
| 250 | G | 31.4 | Very low | 33.4 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | cis | 166.5 | 151.2 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 251 | A | 34.8 | Very low | 32.9 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | 61.3 | 127.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 252 | S | 36.4 | Very low | 34 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | 73 | 106.3 | 42.1 | -55 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 253 | L | 38 | Very low | 33.5 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -151.9 | 124.4 | 140.5 | -140.9 | 71 | 0 | 0 | 0 | 113.5 | ||||
| 254 | W | 34.3 | Very low | 33.4 | Very low | 228 Ų | 228 | 142.9 Ų | 142.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | 12.7 | 159 | 161.8 | 73.2 | -9.2 | 0 | 0 | 0 | 125 | ||||
| 255 | S | 32.2 | Very low | 33 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -114.2 | 167.5 | 171.3 | -36.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 256 | R | 30.7 | Very low | 32.7 | Very low | 241 Ų | 241 | 141.2 Ų | 141.2 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | 130.7 | 142.2 | 121.4 | -155 | 176.1 | 70.7 | 165.8 | 2.3 | 115.6 | |||||
| 257 | A | 27.9 | Very low | 32.6 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | trans | 105.4 | 126.6 | 140 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 258 | T | 30.8 | Very low | 32.7 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 92.3 | 134.8 | 143 | -15.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 259 | S | 29.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -81.5 | 160.6 | 178.9 | -36.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 260 | H | 29.4 | Very low | 32.9 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 89% | 0.889 | 79% | 0.786 | S | S | * | * | trans | -173.7 | 143.9 | 130.5 | -99.3 | -70.2 | 0 | 0 | 0 | 112.3 | ||||
| 261 | H | 30.8 | Very low | 32.7 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -103.3 | 172.6 | 164.2 | -80.3 | -51.1 | 0 | 0 | 0 | 109.4 | ||||
| 262 | P | 54.7 | Low | 32.5 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -128.7 | -169.9 | -28.8 | 36.9 | -20.3 | 0 | 0 | 0 | 111.6 | ||||
| 263 | R | 33 | Very low | 32.3 | Very low | 251 Ų | 251 | 150 Ų | 150 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | trans | 172.5 | -171.6 | 137.2 | -84 | -102.5 | -161.1 | -174 | 7.2 | 111.7 | ||||
| 264 | K | 30.1 | Very low | 32.2 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -118.4 | 160.4 | -157.6 | -84.4 | -172.5 | 175.6 | -175.9 | 0 | 114.6 | ||||
| 265 | M | 26.1 | Very low | 32.2 | Very low | 158 Ų | 158 | 146 Ų | 146 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | 74 | 105.5 | 147.9 | -70.6 | -84.8 | -175.9 | 0 | 0 | 121 | ||||
| 266 | S | 29.6 | Very low | 32.2 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | 64.2 | 148.7 | 115.5 | -52.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 267 | S | 33.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 71.9 | 146.7 | 164.9 | 70.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 268 | S | 33.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | cis | -173.1 | 154 | -9.5 | 41.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 269 | V | 32.3 | Very low | 32.7 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | 58.6 | 119.6 | 154.8 | 174.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 270 | A | 30.8 | Very low | 33 | Very low | 84 Ų | 84 | 140 Ų | 140 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | cis | 91 | 121.1 | 34.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 271 | Y | 27.9 | Very low | 33 | Very low | 211 Ų | 211 | 137.6 Ų | 137.6 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -160.7 | 127.5 | 155.4 | -89 | -80.3 | 0 | 0 | 0 | 106 | ||||
| 272 | H | 31 | Very low | 33 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | 58.5 | 142.7 | 82.6 | -72.8 | -68.5 | 0 | 0 | 0 | 114.9 | |||||
| 273 | T | 31.5 | Very low | 32 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | cis | -168 | 165.8 | -11.5 | -161.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 274 | H | 36.7 | Very low | 32.1 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | cis | -163.2 | -159.1 | 30.3 | 46.5 | -32.3 | 0 | 0 | 0 | 106.6 | ||||
| 275 | N | 34 | Very low | 32.3 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | cis | -157 | -160.2 | 15.8 | -156.8 | -10.7 | 0 | 0 | 0 | 111.2 | ||||
| 276 | G | 31.7 | Very low | 32.5 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | -83.5 | -165.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 277 | G | 32.8 | Very low | 32.5 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | cis | -155 | 175 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 278 | M | 32.7 | Very low | 32.4 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 94% | 0.936 | 75% | 0.748 | S | S | * | * | cis | -160.6 | -179.8 | 45.2 | 57.1 | 176.4 | 167.5 | 0 | 0 | 112.9 | ||||
| 279 | S | 35.6 | Very low | 33 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -58.5 | 167 | -177.7 | -38.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 280 | S | 35.4 | Very low | 32.9 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | cis | -146.9 | -155.6 | 15.4 | -43.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 281 | D | 29.7 | Very low | 32.7 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | cis | -159.4 | 163.7 | -2.6 | -108.6 | -42.3 | 0 | 0 | 0 | 107.1 | ||||
| 282 | S | 29.5 | Very low | 32.8 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 43% | 0.434 | 76% | 0.756 | S | S | . | * | cis | -166.6 | 110.2 | -41.1 | -93.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 283 | F | 34.1 | Very low | 32.7 | Very low | 187 Ų | 187 | 126.4 Ų | 126.4 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | trans | 37.2 | 156.1 | 137.1 | 61.8 | -120.4 | 0 | 0 | 0 | 122.9 | ||||
| 284 | S | 35.7 | Very low | 32.6 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | -166 | 156.5 | 14.9 | -147.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 285 | S | 33.3 | Very low | 33.1 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 69.4 | 150.8 | 135.8 | -73.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 286 | N | 32 | Very low | 33.2 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -168.8 | 151.3 | -17.1 | -165.3 | 20.6 | 0 | 0 | 0 | 106.6 | ||||
| 287 | R | 29.8 | Very low | 33.5 | Very low | 232 Ų | 232 | 126.9 Ų | 126.9 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | -169.1 | 143.6 | 80.8 | -79.2 | 178.1 | -164.6 | -119.1 | 1.9 | 112.7 | |||||
| 288 | K | 30 | Very low | 34.2 | Very low | 194 Ų | 194 | 129.1 Ų | 129.1 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -89.6 | -177.5 | 162.1 | -86.8 | -174.4 | 175.6 | -176 | 0 | 110.5 | ||||
| 289 | P | 45.9 | Very low | 33.9 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | cis | -123.8 | -161.9 | 3.5 | 40.9 | -21.1 | 0 | 0 | 0 | 111.9 | ||||
| 290 | A | 29.8 | Very low | 33.6 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | cis | -157.6 | -176 | 13.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 291 | E | 27.9 | Very low | 33.4 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | 65.3 | 149.5 | 167.8 | -52.5 | -60.9 | 81.8 | 0 | 0 | 117.6 | ||||
| 292 | G | 29.2 | Very low | 33.3 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -131.9 | 176.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 293 | G | 29.5 | Very low | 33.4 | Very low | 77 Ų | 77 | 131.3 Ų | 131.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 173.3 | 125.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 294 | S | 28.7 | Very low | 33.3 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -83.1 | 141.2 | 171.4 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | T296 | S294-T296 PolarHBondContact O-N 3.38Š| ||
| 295 | P | 48.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -79.7 | 115.2 | 177.2 | 30.7 | -32.6 | 0 | 0 | 0 | 111.5 | ||||
| 296 | T | 34.6 | Very low | 33.1 | Very low | 129 Ų | 129 | 129 Ų | 129 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -113.8 | 148.4 | 156.7 | 50 | 0 | 0 | 0 | 0 | 109.7 | S294 | S294-T296 PolarHBondContact O-N 3.38Š| ||
| 297 | S | 38.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -62.3 | 146.9 | -178.3 | 54.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 298 | P | 47.7 | Very low | 32.9 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -117.4 | 150.1 | 152.8 | 36.4 | -27.4 | 0 | 0 | 0 | 113.3 | ||||
| 299 | F | 28 | Very low | 32.8 | Very low | 200 Ų | 200 | 113.3 Ų | 113.3 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -104.4 | 141 | 166.7 | -127.6 | -101.9 | 0 | 0 | 0 | 108.5 | ||||
| 300 | S | 28.8 | Very low | 32.1 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | trans | 60.7 | 146.4 | 151.4 | -69.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 301 | T | 30.2 | Very low | 32.2 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | trans | 65.8 | 127.8 | 146.2 | 44.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 302 | G | 27.8 | Very low | 32.2 | Very low | 79 Ų | 79 | 120 Ų | 120 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 161.7 | 75 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 303 | S | 32.4 | Very low | 32.2 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -71.2 | 127.8 | 174.2 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 304 | S | 31.3 | Very low | 32.2 | Very low | 126 Ų | 126 | 120 Ų | 120 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | trans | -163.3 | 139.3 | 151.8 | -85.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 305 | S | 32.1 | Very low | 32.3 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -69.2 | 143.3 | 174.2 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 306 | A | 32.8 | Very low | 31.6 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | 158.7 | 135.3 | 110.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 307 | G | 28 | Very low | 31.6 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | 85.6 | 131.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 308 | G | 29.6 | Very low | 32.1 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 88.5 | 139.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 309 | G | 27.8 | Very low | 31.3 | Very low | 66 Ų | 66 | 117.9 Ų | 117.9 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | cis | 94.4 | 132.3 | 10.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 310 | F | 30.7 | Very low | 31.5 | Very low | 189 Ų | 189 | 117.3 Ų | 117.3 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | cis | -163.5 | 142 | 11.4 | 26.7 | -105.3 | 0 | 0 | 0 | 113.7 | ||||
| 311 | T | 32.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 117.8 Ų | 117.8 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | 32.1 | 129.4 | 144.2 | 63.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 312 | F | 29.1 | Very low | 31.5 | Very low | 222 Ų | 222 | 116.2 Ų | 116.2 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | -164.6 | 149.5 | 123.4 | -93 | -72 | 0 | 0 | 0 | 107 | |||||
| 313 | G | 28.2 | Very low | 31.7 | Very low | 75 Ų | 75 | 116.9 Ų | 116.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | cis | -177.6 | 159 | -6.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 314 | G | 30.5 | Very low | 31.6 | Very low | 85 Ų | 85 | 118.3 Ų | 118.3 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -158.7 | 163.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 315 | D | 29 | Very low | 31.7 | Very low | 153 Ų | 153 | 120.8 Ų | 120.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -167.8 | 144.3 | -177.5 | -176.2 | -99.1 | 0 | 0 | 0 | 107.7 | ||||
| 316 | S | 33.7 | Very low | 31.7 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | cis | -151.6 | 171.1 | -19.6 | -106 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 317 | T | 35.3 | Very low | 31.5 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -112.1 | 173.9 | -173.9 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 318 | P | 49.9 | Very low | 31.5 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -152.7 | 136.5 | 90.9 | 36.8 | -17.3 | 0 | 0 | 0 | 118.6 | |||||
| 319 | G | 28.8 | Very low | 31.5 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | 78.6 | 147.5 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 320 | L | 33.1 | Very low | 31.5 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 98% | 0.979 | 81% | 0.81 | S | S | * | * | cis | -141 | 171 | -3.8 | -71.8 | 173.4 | 0 | 0 | 0 | 109.9 | ||||
| 321 | A | 30.3 | Very low | 31.5 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -100.8 | 160.6 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 322 | S | 28.1 | Very low | 31.6 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | -168 | 136.1 | 113 | -158.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 323 | S | 33.5 | Very low | 32.1 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | 54 | 106.1 | 155.7 | -77.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 324 | D | 30.3 | Very low | 32.5 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 74.3 | 103.9 | 119.9 | -53 | -53.2 | 0 | 0 | 0 | 120.1 | |||||
| 325 | E | 32.2 | Very low | 32.7 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -101 | -179.2 | 172.1 | -175.9 | 169.7 | 64.3 | 0 | 0 | 111.1 | ||||
| 326 | L | 31.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | 79.6 | 121.1 | 175.5 | -46.7 | 173.9 | 0 | 0 | 0 | 113.6 | ||||
| 327 | G | 29 | Very low | 33 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | cis | 98.9 | 98.5 | 12.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 328 | F | 27.8 | Very low | 33.1 | Very low | 216 Ų | 216 | 138.4 Ų | 138.4 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | -135.5 | 141.3 | 177.4 | -102.9 | -83.4 | 0 | 0 | 0 | 111.8 | ||||
| 329 | E | 29.4 | Very low | 32.2 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -90.8 | 159.2 | -166.8 | -170.1 | 169.5 | 79.7 | 0 | 0 | 113.4 | ||||
| 330 | F | 29.6 | Very low | 32.4 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -70.6 | 129 | 176.5 | -179.3 | -88.9 | 0 | 0 | 0 | 111.9 | ||||
| 331 | S | 29.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -146.5 | 121.3 | 162.3 | -95 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 332 | A | 34.1 | Very low | 32.1 | Very low | 76 Ų | 76 | 142 Ų | 142 | 63% | 0.628 | 80% | 0.801 | S | S | * | * | trans | -80.8 | 145.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 333 | S | 39.9 | Very low | 32.2 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -150.7 | 126.8 | 164 | -81.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 334 | N | 36.2 | Very low | 31.9 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -82.6 | 175 | 171.4 | -76.5 | -78.5 | 0 | 0 | 0 | 110.6 | ||||
| 335 | I | 35.5 | Very low | 31.9 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | 121.6 | 128.8 | 149 | -63.1 | 162.2 | 0 | 0 | 0 | 114.8 | ||||
| 336 | W | 34.1 | Very low | 31.8 | Very low | 251 Ų | 251 | 133.9 Ų | 133.9 | 95% | 0.951 | 81% | 0.806 | S | S | * | * | trans | -62.2 | 136.4 | 172.2 | -117.7 | -53.3 | 0 | 0 | 0 | 112.7 | ||||
| 337 | A | 34.3 | Very low | 31.7 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | -150.3 | 139.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 338 | P | 37.2 | Very low | 31.5 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -80.7 | 151.7 | -179.7 | 32.6 | -34.8 | 0 | 0 | 0 | 112.4 | V340 | P338-V340 PolarHBondContact O-N 3.42Š| ||
| 339 | F | 31.8 | Very low | 31.5 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -68.6 | 127.1 | 178.9 | -69.2 | -94.9 | 0 | 0 | 0 | 112.7 | ||||
| 340 | V | 32.7 | Very low | 31.4 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -124.6 | 103.8 | 144.9 | 58.8 | 0 | 0 | 0 | 0 | 107.6 | P338 | P338-V340 PolarHBondContact O-N 3.42Š| ||
| 341 | N | 30.9 | Very low | 31.3 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -120.3 | 110.2 | -177.5 | -173.5 | 20 | 0 | 0 | 0 | 110.8 | G343 | N341-G343 PolarHBondContact O-N 3.19Š| ||
| 342 | G | 26 | Very low | 31.3 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -81.3 | 96.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | A344 | G342-A344 PolarHBondContact O-N 3.12Å; G342-A344 VanDerWaalsContact O-N 3.11Å | ||
| 343 | G | 29.6 | Very low | 31.3 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -73.8 | 96.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N341 | N341-G343 PolarHBondContact O-N 3.19Š| ||
| 344 | A | 28.8 | Very low | 31.6 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -80.1 | 121.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G342 | G342-A344 PolarHBondContact O-N 3.12Å; G342-A344 VanDerWaalsContact O-N 3.11Å | ||
| 345 | G | 29.7 | Very low | 31.5 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -121.2 | 136.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 346 | S | 29.6 | Very low | 31.2 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -159.4 | 143.1 | 173 | -156.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 347 | K | 29.4 | Very low | 31.9 | Very low | 178 Ų | 178 | 125.5 Ų | 125.5 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | cis | -155.2 | 156.2 | 13.2 | 10.9 | -164.9 | 164.5 | -176.4 | 0 | 106 | ||||
| 348 | T | 25.3 | Very low | 31.8 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | -169.5 | 141.5 | 85.1 | 35.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 349 | S | 27.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 24.5 | 120.7 | 148.7 | 60.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 350 | A | 27.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | -159.4 | 150.1 | 126 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 351 | S | 28.1 | Very low | 31.1 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -64.4 | 138 | -168.4 | 50.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 352 | S | 29.4 | Very low | 31.3 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | 173.2 | 167.3 | 115.1 | 46.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 353 | Q | 33.8 | Very low | 31.6 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -143.7 | 177.4 | -172.8 | -122.6 | -158.2 | -6.7 | 0 | 0 | 108.8 | ||||
| 354 | P | 46.2 | Very low | 31.5 | Very low | 95 Ų | 95 | 132 Ų | 132 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | cis | -135.8 | 167.6 | -9.3 | 38.7 | -21.8 | 0 | 0 | 0 | 116 | ||||
| 355 | Q | 33.2 | Very low | 31.7 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | -176.6 | 173.6 | 118.6 | -99.2 | 178.6 | 1.6 | 0 | 0 | 112.5 | |||||
| 356 | Q | 30.6 | Very low | 32 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | -147.5 | 177.3 | -167.1 | -104.3 | -152.7 | 46.7 | 0 | 0 | 109.8 | ||||
| 357 | P | 48.3 | Very low | 32 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -136.2 | -172.8 | 18 | 36.1 | -13.4 | 0 | 0 | 0 | 117.2 | ||||
| 358 | L | 31.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 131 Ų | 131 | 67% | 0.665 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 158.5 | -175.6 | -62.4 | 63.3 | 0 | 0 | 0 | 114.8 | ||||
| 359 | R | 27.5 | Very low | 32.5 | Very low | 241 Ų | 241 | 129.1 Ų | 129.1 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | -165.2 | 171.4 | 125 | -80.1 | -137 | -179 | -129.9 | -2.9 | 111 | |||||
| 360 | R | 30.7 | Very low | 32.9 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | -169 | 134.2 | -78.4 | 168 | -173.8 | -94.5 | -123.2 | 2.7 | 109.4 | |||||
| 361 | N | 30.6 | Very low | 33.2 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | 65.2 | 159.7 | 166.8 | -84.9 | 31.4 | 0 | 0 | 0 | 117.3 | ||||
| 362 | S | 33.5 | Very low | 33.9 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | cis | -171.6 | 158.9 | -17.5 | 46.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 363 | S | 33.2 | Very low | 34 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 70.3 | 152.8 | 162.8 | -48.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 364 | G | 27.5 | Very low | 33.9 | Very low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | cis | 165.2 | 145.6 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 365 | L | 33.6 | Very low | 33.2 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 67 | 137.9 | 163.8 | -87.3 | 75.1 | 0 | 0 | 0 | 121.6 | ||||
| 366 | S | 35 | Very low | 33.5 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 66.3 | 101.2 | 139.6 | -58.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 367 | G | 29.9 | Very low | 33.6 | Very low | 86 Ų | 86 | 133 Ų | 133 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | 73.8 | 127.4 | 98.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 368 | G | 31.9 | Very low | 33 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 165.9 | 141.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 369 | A | 33.1 | Very low | 33.6 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -125.7 | 178.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 370 | I | 34.8 | Very low | 33.8 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | 67.9 | 115 | 170.6 | 69.5 | 158.7 | 0 | 0 | 0 | 119 | ||||
| 371 | T | 34.9 | Very low | 33.7 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | 152.6 | 130.4 | 121.9 | 45.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 372 | P | 43.4 | Very low | 33.8 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -98.2 | 134.7 | 167.3 | 34.4 | -28.6 | 0 | 0 | 0 | 111.3 | ||||
| 373 | R | 31 | Very low | 33.8 | Very low | 218 Ų | 218 | 128.7 Ų | 128.7 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | trans | -133.2 | 109.4 | 174.1 | -162.9 | -172.7 | -167.7 | -75.5 | 0.6 | 113.2 | ||||
| 374 | L | 31.8 | Very low | 33.9 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | 26.7 | 122 | 148.4 | -54.9 | 178.6 | 0 | 0 | 0 | 121 | ||||
| 375 | S | 31.6 | Very low | 34.2 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 94.9 | 152.3 | 136.7 | -60.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 376 | P | 39.2 | Very low | 34.9 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -117.4 | 179 | -162.5 | 43.1 | -30.8 | 0 | 0 | 0 | 115 | ||||
| 377 | T | 32.2 | Very low | 35 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -134.6 | 154.9 | 175 | 39.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 378 | L | 35.7 | Very low | 35.2 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -96.6 | 163.3 | -176.2 | -95.4 | 156.2 | 0 | 0 | 0 | 113.1 | ||||
| 379 | P | 43.8 | Very low | 35.3 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | -132.4 | 155.8 | 104.2 | 38.6 | -29.8 | 0 | 0 | 0 | 112.3 | |||||
| 380 | Q | 32.1 | Very low | 36.3 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | cis | 81.2 | 128.7 | 32.2 | -163.2 | -172.8 | 5.2 | 0 | 0 | 113.6 | ||||
| 381 | E | 28.6 | Very low | 36.6 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | cis | -169.2 | -159.1 | -26.2 | -134.5 | -79 | 137.4 | 0 | 0 | 108.4 | ||||
| 382 | T | 33.1 | Very low | 36.5 | Very low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 72.7 | 132.1 | -177 | 74.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 383 | G | 33.9 | Very low | 36.2 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | 176.2 | 168.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 384 | V | 34.3 | Very low | 36.3 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | cis | -149.4 | -173.7 | 3 | -64.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 385 | G | 33.9 | Very low | 36.2 | Very low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -109.7 | -149.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 386 | P | 49.2 | Very low | 36.1 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | cis | -137.6 | 174.7 | -1.2 | 43.1 | -27.2 | 0 | 0 | 0 | 115.9 | ||||
| 387 | L | 36.6 | Very low | 35.8 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 178.5 | 119.4 | 131.4 | -100.2 | 166.7 | 0 | 0 | 0 | 114.7 | ||||
| 388 | D | 34.4 | Very low | 35.9 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 50.3 | 152.9 | 151.1 | -108.4 | -95.5 | 0 | 0 | 0 | 127.1 | ||||
| 389 | H | 33.8 | Very low | 36.7 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -169.3 | 138.7 | -170.5 | -136.1 | 63.6 | 0 | 0 | 0 | 113.2 | ||||
| 390 | P | 54.5 | Low | 36.1 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -138.7 | 129.5 | 128.4 | 15.7 | 6.1 | 0 | 0 | 0 | 113.3 | |||||
| 391 | L | 40.3 | Very low | 36.4 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | 68 | 135.8 | 75.4 | -66.5 | 175 | 0 | 0 | 0 | 114.4 | |||||
| 392 | A | 32.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | cis | -158.5 | -176.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 393 | R | 38.3 | Very low | 36.4 | Very low | 228 Ų | 228 | 135.6 Ų | 135.6 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | cis | -143.2 | 143.9 | 19.6 | -74 | -177.4 | 172.1 | -161 | -1.9 | 109.1 | ||||
| 394 | R | 31.6 | Very low | 36.1 | Very low | 231 Ų | 231 | 137.4 Ų | 137.4 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | 41.4 | 140.3 | 90.5 | -68.8 | -172.8 | 178.3 | 118.6 | -1.2 | 116.3 | |||||
| 395 | A | 30.1 | Very low | 35.9 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | cis | 178.9 | 152.5 | -15.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 396 | Q | 30.1 | Very low | 35.9 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 39.5 | 149.9 | 145.5 | -53.4 | -65.5 | 0.1 | 0 | 0 | 121.1 | ||||
| 397 | S | 33.3 | Very low | 35.1 | Very low | 82 Ų | 82 | 146.4 Ų | 146.4 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | cis | -167.5 | 172.4 | -15.7 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 398 | D | 33 | Very low | 34.8 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | 72.5 | 149 | 158.4 | -62 | -58.7 | 0 | 0 | 0 | 122 | ||||
| 399 | P | 53.9 | Low | 34.6 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | trans | -111.4 | 159.2 | -179.7 | 41.1 | -32.8 | 0 | 0 | 0 | 114.3 | ||||
| 400 | L | 29.9 | Very low | 34.5 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | 178.1 | 160.3 | 125.2 | -98 | 163 | 0 | 0 | 0 | 112.9 | |||||
| 401 | S | 38.1 | Very low | 33.4 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -80 | 143.3 | -167.5 | -40.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 402 | T | 30.1 | Very low | 33 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -145.7 | 115.9 | 150.1 | 36.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 403 | L | 32.1 | Very low | 33 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 9.8 | 137.4 | 152.8 | -59.3 | 175 | 0 | 0 | 0 | 123.9 | ||||
| 404 | S | 28.4 | Very low | 32.7 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 64.9 | 118.3 | 132.4 | -63.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 405 | W | 29 | Very low | 33 | Very low | 231 Ų | 231 | 127.1 Ų | 127.1 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | -176.4 | 130.9 | 120.8 | 60 | -41.5 | 0 | 0 | 0 | 113.4 | |||||
| 406 | L | 34.5 | Very low | 33.1 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | 55.2 | 153.2 | 151.1 | -65.9 | 168.5 | 0 | 0 | 0 | 119.5 | ||||
| 407 | Q | 31.7 | Very low | 33.2 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | cis | -153.9 | 150.6 | 6.5 | -161.6 | 147.6 | 4.8 | 0 | 0 | 113.9 | ||||
| 408 | S | 30.3 | Very low | 33 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 49.8 | 128.2 | 153.2 | -69.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 409 | G | 30.8 | Very low | 33 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | 179.9 | 119.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 410 | S | 31.8 | Very low | 32 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -81.2 | 168.4 | -179.6 | -52.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 411 | T | 32.3 | Very low | 32.2 | Very low | 136 Ų | 136 | 125 Ų | 125 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | cis | -159.6 | 151.1 | 37.6 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 412 | G | 31.3 | Very low | 31.9 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | 81.3 | 142.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 413 | G | 31.3 | Very low | 32 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | cis | 120.7 | 123 | 12.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 414 | S | 33.4 | Very low | 32.3 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | cis | -144.6 | 167.2 | 14.1 | 54.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 415 | S | 38 | Very low | 32.3 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -96.1 | 155.6 | -175.3 | -41.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 416 | F | 31 | Very low | 32.4 | Very low | 215 Ų | 215 | 111.7 Ų | 111.7 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | -148.3 | 160.4 | 128.7 | 63.2 | -95 | 0 | 0 | 0 | 110.8 | |||||
| 417 | S | 33.6 | Very low | 32.3 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -129.1 | 152.6 | -165.2 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 418 | G | 28.6 | Very low | 32.6 | Very low | 71 Ų | 71 | 108.2 Ų | 108.2 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 168.5 | 93.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 419 | A | 32.7 | Very low | 32.9 | Very low | 94 Ų | 94 | 108.9 Ų | 108.9 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | 65.5 | 123.7 | 53.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 420 | S | 32.7 | Very low | 32.8 | Very low | 104 Ų | 104 | 108.9 Ų | 108.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -165.2 | 156.1 | -5.8 | -84.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 421 | S | 33.7 | Very low | 32.7 | Very low | 116 Ų | 116 | 113.9 Ų | 113.9 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | 60.4 | 154.9 | 149.5 | 59.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 422 | S | 32.8 | Very low | 32.7 | Very low | 93 Ų | 93 | 112.7 Ų | 112.7 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | cis | -149.9 | 143.4 | -0.4 | -9.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 423 | S | 32.4 | Very low | 32.6 | Very low | 107 Ų | 107 | 113.8 Ų | 113.8 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 48.4 | 140.2 | 92.7 | 87.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 424 | S | 37.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | cis | -157.8 | 154.6 | 25.7 | -55.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 425 | G | 29.2 | Very low | 32.4 | Very low | 85 Ų | 85 | 115.1 Ų | 115.1 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | 89.3 | 143.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 426 | G | 30.8 | Very low | 32.2 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | 164.3 | 132.7 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 427 | S | 32.9 | Very low | 32.3 | Very low | 131 Ų | 131 | 108.8 Ų | 108.8 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | 67.4 | 154.8 | 173.8 | -59.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 428 | S | 37.4 | Very low | 32.2 | Very low | 95 Ų | 95 | 108.5 Ų | 108.5 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | cis | -139.2 | 147.3 | 11.7 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 429 | T | 37.3 | Very low | 32.5 | Very low | 132 Ų | 132 | 112.5 Ų | 112.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 49.8 | 102.8 | 150 | 56.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 430 | G | 29.1 | Very low | 33.3 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | -97.5 | 164.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 431 | Y | 29.7 | Very low | 33 | Very low | 225 Ų | 225 | 112.7 Ų | 112.7 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -138.2 | 149 | 161 | 49.1 | -97.7 | 0 | 0 | 0 | 108.6 | ||||
| 432 | S | 30.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 111 Ų | 111 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -117.9 | 148.4 | -164.4 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 433 | S | 30.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 112.3 Ų | 112.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 76.6 | 138.7 | 146.8 | -56 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 434 | C | 27.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 113 Ų | 113 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 59.2 | 123 | 138.7 | 70.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 435 | S | 33 | Very low | 33.4 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -52.3 | 168.4 | 142.1 | -28.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 436 | A | 32.4 | Very low | 33.4 | Very low | 84 Ų | 84 | 117.6 Ų | 117.6 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | cis | -163.8 | -173.9 | 15.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 437 | S | 33.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 87.4 | 116.6 | 141.6 | -61.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 438 | S | 30.8 | Very low | 33.8 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -173.5 | 162.3 | 139.3 | -83.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 439 | L | 34.8 | Very low | 33.5 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | cis | -177.4 | 165.6 | -34.3 | -103.9 | -178.6 | 0 | 0 | 0 | 105.3 | ||||
| 440 | P | 49.8 | Very low | 33.2 | Very low | 122 Ų | 122 | 118.4 Ų | 118.4 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | cis | -126.7 | -177.1 | -14.4 | 41.4 | -26.1 | 0 | 0 | 0 | 113.5 | ||||
| 441 | G | 26.3 | Very low | 33.3 | Very low | 81 Ų | 81 | 120.5 Ų | 120.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -162.6 | 142.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 442 | G | 28.7 | Very low | 33.4 | Very low | 80 Ų | 80 | 115.6 Ų | 115.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -120.1 | 167.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 443 | S | 32.7 | Very low | 33.5 | Very low | 120 Ų | 120 | 117.7 Ų | 117.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -71.1 | 173 | 177.9 | -37.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 444 | P | 48.1 | Very low | 33.6 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | -147.3 | 177.8 | 82.8 | 40.7 | -22.8 | 0 | 0 | 0 | 117.4 | |||||
| 445 | T | 35.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 117.2 Ų | 117.2 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -38.2 | 158.6 | 172.2 | 52.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 446 | D | 28.3 | Very low | 33.6 | Very low | 158 Ų | 158 | 119.2 Ų | 119.2 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -147.4 | 131.4 | 161.1 | -145.7 | -29.8 | 0 | 0 | 0 | 111.5 | ||||
| 447 | S | 35.4 | Very low | 33.5 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | 171.5 | 140.4 | 167 | -78.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 448 | E | 37.6 | Very low | 33.5 | Very low | 187 Ų | 187 | 121.4 Ų | 121.4 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | 157.6 | 118.7 | 135.1 | -83.8 | -52.3 | 90 | 0 | 0 | 113.1 | ||||
| 449 | G | 29.9 | Very low | 33.5 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 77.8 | 151.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 450 | G | 31.5 | Very low | 33.5 | Very low | 73 Ų | 73 | 121 Ų | 121 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | cis | 174.3 | 138.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 451 | S | 30.8 | Very low | 32.6 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | 53.9 | 124.9 | 150.5 | -55.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 452 | S | 32 | Very low | 32.8 | Very low | 123 Ų | 123 | 123 Ų | 123 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | -179.1 | 165.6 | 120.9 | -79.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 453 | N | 32.6 | Very low | 33.1 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -102.5 | 170.9 | -155.4 | -72.7 | -6.3 | 0 | 0 | 0 | 118.7 | ||||
| 454 | V | 33 | Very low | 33.3 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | 90.3 | 146.4 | 161.9 | -35.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 455 | G | 28.1 | Very low | 32.4 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | cis | 159 | 176.5 | -12.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 456 | I | 33.4 | Very low | 32.1 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | 77.6 | 111.3 | 160.4 | -55.8 | -61.5 | 0 | 0 | 0 | 120.6 | ||||
| 457 | T | 30.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 132 Ų | 132 | 72% | 0.718 | 82% | 0.818 | S | S | * | * | trans | 61.7 | 116.4 | 151.4 | 56.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 458 | S | 33.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | 56.3 | 124.5 | 114.3 | -48.1 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 459 | G | 30.9 | Very low | 32.1 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -168.7 | 136.9 | 156 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 460 | M | 34.4 | Very low | 32.3 | Very low | 180 Ų | 180 | 131 Ų | 131 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -125.4 | 169.1 | -179.1 | -84 | -163.8 | 171.2 | 0 | 0 | 112 | ||||
| 461 | L | 31.8 | Very low | 32.2 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | 77.3 | 149.4 | 169.3 | -49.5 | 172.9 | 0 | 0 | 0 | 114.9 | ||||
| 462 | S | 30.2 | Very low | 32.4 | Very low | 85 Ų | 85 | 131 Ų | 131 | 59% | 0.594 | 82% | 0.822 | S | S | * | * | cis | -170.7 | 158.2 | -18.5 | -109.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 463 | R | 35.2 | Very low | 32.4 | Very low | 220 Ų | 220 | 133.1 Ų | 133.1 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | 64.2 | 106.7 | 150.2 | -67.5 | 167.9 | -177.2 | -142.7 | -2.6 | 120.5 | ||||
| 464 | L | 37.4 | Very low | 32.3 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | 34.4 | 110.6 | 113.3 | -62.5 | 166.7 | 0 | 0 | 0 | 119 | |||||
| 465 | K | 29.2 | Very low | 32.2 | Very low | 216 Ų | 216 | 129.2 Ų | 129.2 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | -167.1 | 151.8 | 106.8 | -158.4 | 158.4 | -175.6 | 174.4 | 0 | 109.8 | |||||
| 466 | G | 29.3 | Very low | 32.3 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -129.3 | 157.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 467 | S | 32.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -159.6 | 147.4 | 156.5 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 468 | S | 36.7 | Very low | 32.5 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 92% | 0.923 | 82% | 0.822 | S | S | * | * | trans | -62.2 | 146.6 | -176.3 | -45.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 469 | G | 30.6 | Very low | 32.6 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 169.3 | 78 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 470 | V | 35.9 | Very low | 33.3 | Very low | 155 Ų | 155 | 128 Ų | 128 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | 9.4 | 105.3 | 157.2 | -72.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 471 | A | 29.1 | Very low | 34 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -148.1 | 142.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 472 | A | 34.4 | Very low | 35 | Very low | 90 Ų | 90 | 119.7 Ų | 119.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -100 | 179.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 473 | L | 31.1 | Very low | 36.6 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | 113.1 | 151.7 | 160.9 | -59.3 | 175.9 | 0 | 0 | 0 | 116.2 | ||||
| 474 | V | 31.3 | Very low | 38.8 | Very low | 148 Ų | 148 | 116.1 Ų | 116.1 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | 63.9 | 100.6 | -177.9 | -164.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 475 | G | 31.3 | Very low | 41.4 | Very low | 73 Ų | 73 | 112.1 Ų | 112.1 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -93.6 | 166.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 476 | V | 30.6 | Very low | 44.4 | Very low | 143 Ų | 143 | 101.9 Ų | 101.9 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | trans | -113 | 143 | 161.8 | 179 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 477 | G | 35.4 | Very low | 47.3 | Very low | 76 Ų | 76 | 103.3 Ų | 103.3 | 78% | 0.784 | 69% | 0.692 | S | S | * | * | trans | -67.8 | 131.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 478 | V | 32.6 | Very low | 50.1 | Low | 107 Ų | 107 | 100.6 Ų | 100.6 | 65% | 0.648 | 67% | 0.671 | S | S | * | * | trans | -91.3 | 105.2 | 171.7 | 174.6 | 0 | 0 | 0 | 0 | 109.2 | V482 | V478-V482 HydrophobicContact CG1-CB 4.35Å; V478-V482 HydrophobicContact CG1-CG1 3.72Å; V478-V482 HydrophobicContact CG1-CG2 3.67Å; V478-V482 HydrophobicContact CG2-CG1 4.37Å | ||
| 479 | G | 33.6 | Very low | 52.7 | Low | 49 Ų | 49 | 96.2 Ų | 96.2 | 51% | 0.505 | 64% | 0.639 | S | S | . | * | trans | -70.3 | 167.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G481 | G479-G481 PolarHBondContact O-N 2.91Š| ||
| 480 | P | 46 | Very low | 55.5 | Low | 147 Ų | 147 | 99.5 Ų | 99.5 | 96% | 0.955 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -65.1 | 125.8 | 177.7 | 28.4 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 481 | G | 49.9 | Very low | 58.1 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | trans | 121.5 | 29 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G479 N483 | G479-G481 PolarHBondContact O-N 2.91Å; G481-N483 VanDerWaalsContact C-N 3.34Å; G481-N483 PolarHBondContact O-N 2.9Å | ||
| 482 | V | 52.6 | Low | 61 | Low | 103 Ų | 103 | 98 Ų | 98 | 62% | 0.624 | 61% | 0.606 | S | S | * | * | trans | -71.2 | 93.7 | 160.7 | -83.3 | 0 | 0 | 0 | 0 | 109.5 | V478 R484 | V478-V482 HydrophobicContact CG1-CB 4.35Å; V478-V482 HydrophobicContact CG1-CG1 3.72Å; V478-V482 HydrophobicContact CG1-CG2 3.67Å; V478-V482 HydrophobicContact CG2-CG1 4.37Å; V482-R484 PolarHBondContact O-N 3.39Å | ||
| 483 | N | 63.1 | Low | 63.8 | Low | 111 Ų | 111 | 99.1 Ų | 99.1 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | trans | -53.5 | 128.8 | 164.2 | -63.7 | -17.5 | 0 | 0 | 0 | 108 | G481 D485 | G481-N483 VanDerWaalsContact C-N 3.34Å; G481-N483 PolarHBondContact O-N 2.9Å; N483-D485 PolarHBondContact O-N 3.49Å | ||
| 484 | R | 82.4 | Confident | 66.7 | Low | 119 Ų | 119 | 91.8 Ų | 91.8 | 45% | 0.449 | 56% | 0.558 | S | S | . | * | trans | -84.2 | 107.5 | 170.1 | -67 | 174.4 | 74 | -129.9 | 5.4 | 105.4 | V482 V494 N504 | V482-R484 PolarHBondContact O-N 3.39Å; R484-V494 HydrophobicContact CB-CB 4.02Å; R484-V494 HydrophobicContact CB-CG2 4.03Å; R484-V494 VanDerWaalsContact O-CB 3.3Å; R484-V494 WeakPolarHBondContact O-CB 3.19Å; R484-V494 WeakPolarHBondContact O-CG2 3.42Å; R484-V494 PolarHBondContact O-N 2.94Å; R484-N504 VanDerWaalsContact CZ-O 3.3Å; R484-N504 PolarHBondContact NH1-O 2.89Å; R484-N504 PolarHBondContact NH2-O 2.71Å; R484-N504 PolarHBondContact NH2-OD1 2.99Å; R484-N504 VanDerWaalsContact NH2-OD1 3.15Å | ||
| 485 | D | 91.5 | Very high | 69.7 | Low | 89 Ų | 89 | 85.7 Ų | 85.7 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | B | Isolated β-bridge | trans | -77.9 | 149.5 | 179.6 | -54.7 | -47 | 0 | 0 | 0 | 111.1 | N483 F487 | N483-D485 PolarHBondContact O-N 3.49Å; D485-F487 PolarHBondContact O-N 3.06Å |
| 486 | C | 92.7 | Very high | 72.7 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 49% | 0.485 | C | S | . | . | trans | -64.1 | 128.6 | -177.9 | 174 | 0 | 0 | 0 | 0 | 111.3 | V488 C489 F490 S492 C507 | C486-V488 PolarHBondContact O-N 3.01Å; C486-C489 VanDerWaalsContact CB-SG 3.59Å; C486-F490 VanDerWaalsContact O-CA 3.27Å; C486-F490 WeakPolarHBondContact O-CA 3.25Å; C486-F490 PolarHBondContact O-N 2.97Å; C486-S492 WeakPolarHBondContact CB-O 3.45Å; C486-S492 PolarHBondContact N-O 3.16Å; C486-C507 HydrophobicContact CB-CB 3.99Å; C486-C507 PolarHBondContact SG-N 3.34Å | ||
| 487 | F | 90.9 | Very high | 75.8 | Confident | 103 Ų | 103 | 75.7 Ų | 75.7 | 45% | 0.452 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -6.4 | -178.9 | -171.7 | -102 | 0 | 0 | 0 | 115 | D485 F490 L505 F506 V524 | D485-F487 PolarHBondContact O-N 3.06Å; F487-F490 WeakPolarHBondContact O-CE2 3.23Å; F487-F490 VanDerWaalsContact O-CZ 3.27Å; F487-F490 WeakPolarHBondContact O-CZ 3.47Å; F487-L505 HydrophobicContact CB-CB 4.2Å; F487-L505 WeakPolarHBondContact CB-O 3.49Å; F487-L505 PolarHBondContact N-O 3.42Å; F487-F506 HydrophobicContact CB-CE1 4.36Å; F487-V524 HydrophobicContact CD1-CG2 4.19Å; F487-V524 HydrophobicContact CE1-CG2 4.26Å |
| 488 | V | 90.2 | Very high | 78.6 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -50.3 | -179.2 | 177.1 | 0 | 0 | 0 | 0 | 112 | C486 F506 C510 I514 | C486-V488 PolarHBondContact O-N 3.01Å; V488-F506 HydrophobicContact CG2-CD1 3.81Å; V488-F506 HydrophobicContact CG2-CE1 3.89Å; V488-C510 HydrophobicContact CB-CB 3.86Å; V488-C510 HydrophobicContact CG1-CB 4.02Å; V488-C510 HydrophobicContact CG2-CB 4.3Å; V488-I514 HydrophobicContact CG2-CD1 4.19Å |
| 489 | C | 92.5 | Very high | 81.5 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -19.5 | -179 | 64.8 | 0 | 0 | 0 | 0 | 114.5 | C486 E491 | C486-C489 VanDerWaalsContact CB-SG 3.59Å; C489-E491 PolarHBondContact O-N 3.45Å |
| 490 | F | 89.4 | Confident | 84.2 | Confident | 135 Ų | 135 | 70.6 Ų | 70.6 | 59% | 0.592 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 57 | 3.2 | -175.2 | -56.7 | -84.9 | 0 | 0 | 0 | 116.4 | C486 F487 | C486-F490 VanDerWaalsContact O-CA 3.27Å; C486-F490 WeakPolarHBondContact O-CA 3.25Å; C486-F490 PolarHBondContact O-N 2.97Å; F487-F490 WeakPolarHBondContact O-CE2 3.23Å; F487-F490 VanDerWaalsContact O-CZ 3.27Å; F487-F490 WeakPolarHBondContact O-CZ 3.47Å |
| 491 | E | 90 | Very high | 86.5 | Confident | 175 Ų | 175 | 65 Ų | 65 | 82% | 0.818 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -107.2 | -20.6 | -177.6 | -69.6 | 174.6 | 168.7 | 0 | 0 | 114.2 | C489 | C489-E491 PolarHBondContact O-N 3.45Š|
| 492 | S | 90 | Very high | 88.5 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -118.1 | 142.4 | -172.2 | -58.5 | 0 | 0 | 0 | 0 | 112 | C486 | C486-S492 WeakPolarHBondContact CB-O 3.45Å; C486-S492 PolarHBondContact N-O 3.16Å |
| 493 | E | 92.4 | Very high | 90.4 | Very high | 113 Ų | 113 | 62 Ų | 62 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 147.2 | 176.4 | 55.9 | 159.8 | -157.2 | 0 | 0 | 113.8 | T495 C507 | E493-T495 HydrophobicContact CG-CG2 3.87Å; E493-T495 PolarHBondContact O-N 2.83Å; E493-T495 VanDerWaalsContact O-N 3.11Å; E493-T495 PolarHBondContact O-OG1 2.81Å; E493-T495 WeakPolarHBondContact OE1-CG2 3.29Å; E493-C507 WeakPolarHBondContact O-CA 3.36Å; E493-C507 VanDerWaalsContact O-CB 3.27Å; E493-C507 WeakPolarHBondContact O-CB 3.3Å |
| 494 | V | 93.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 60.2 Ų | 60.2 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | trans | -67.7 | 105.3 | 175.3 | 166.7 | 0 | 0 | 0 | 0 | 110.4 | R484 N504 F506 I535 | R484-V494 HydrophobicContact CB-CB 4.02Å; R484-V494 HydrophobicContact CB-CG2 4.03Å; R484-V494 VanDerWaalsContact O-CB 3.3Å; R484-V494 WeakPolarHBondContact O-CB 3.19Å; R484-V494 WeakPolarHBondContact O-CG2 3.42Å; R484-V494 PolarHBondContact O-N 2.94Å; V494-N504 WeakPolarHBondContact CG1-O 3.3Å; V494-F506 WeakPolarHBondContact CA-O 3.38Å; V494-I535 HydrophobicContact CG1-CD1 4.21Å | ||
| 495 | T | 93.6 | Very high | 92.3 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | trans | -126 | 0.9 | -175.2 | 40.8 | 0 | 0 | 0 | 0 | 112.7 | E493 F506 C507 M508 R534 I535 | E493-T495 HydrophobicContact CG-CG2 3.87Å; E493-T495 PolarHBondContact O-N 2.83Å; E493-T495 VanDerWaalsContact O-N 3.11Å; E493-T495 PolarHBondContact O-OG1 2.81Å; E493-T495 WeakPolarHBondContact OE1-CG2 3.29Å; T495-F506 PolarHBondContact N-O 3.31Å; T495-C507 WeakPolarHBondContact OG1-CA 3.36Å; T495-M508 PolarHBondContact OG1-N 3.01Å; T495-R534 WeakPolarHBondContact O-CA 3.43Å; T495-R534 WeakPolarHBondContact O-CG 3.49Å; T495-I535 PolarHBondContact O-N 2.89Å | ||
| 496 | A | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F506 M508 A511 I533 | A496-F506 PolarHBondContact N-O 2.91Å; A496-M508 HydrophobicContact CB-CE 3.9Å; A496-A511 HydrophobicContact CB-CB 3.47Å; A496-A511 VanDerWaalsContact CB-CB 3.47Å; A496-I533 VanDerWaalsContact CA-O 3.27Å; A496-I533 WeakPolarHBondContact CA-O 3.44Å |
| 497 | A | 94.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | H503 N504 C532 I533 I535 | A497-H503 VanDerWaalsContact CA-O 3.31Å; A497-H503 WeakPolarHBondContact CA-O 3.48Å; A497-N504 HydrophobicContact CB-CB 4.19Å; A497-C532 WeakPolarHBondContact O-CA 3.48Å; A497-I533 HydrophobicContact CB-CG1 4.15Å; A497-I533 PolarHBondContact N-O 2.79Å; A497-I533 WeakPolarHBondContact O-CG1 3.35Å; A497-I533 PolarHBondContact O-N 2.85Å; A497-I535 HydrophobicContact CB-CG2 4.04Å |
| 498 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 141.2 | 179 | -58.2 | -174 | 0 | 0 | 0 | 111.3 | G502 H503 F506 A511 I514 C522 T529 C532 | L498-G502 WeakPolarHBondContact O-CA 3.47Å; L498-G502 PolarHBondContact O-N 2.9Å; L498-H503 PolarHBondContact N-O 2.96Å; L498-F506 HydrophobicContact CD1-CD2 3.89Å; L498-F506 HydrophobicContact CD1-CE2 3.51Å; L498-F506 HydrophobicContact CD1-CZ 4.01Å; L498-F506 HydrophobicContact CD2-CD2 4.3Å; L498-F506 HydrophobicContact CG-CD2 3.69Å; L498-F506 HydrophobicContact CG-CE2 3.72Å; L498-A511 HydrophobicContact CD2-CB 3.74Å; L498-I514 HydrophobicContact CD1-CD1 4.22Å; L498-I514 HydrophobicContact CD1-CG2 3.96Å; L498-C522 HydrophobicContact CD1-CB 3.86Å; L498-T529 HydrophobicContact CB-CG2 3.77Å; L498-T529 HydrophobicContact CD1-CG2 4.3Å; L498-T529 HydrophobicContact CD2-CG2 4.07Å; L498-T529 HydrophobicContact CG-CG2 4.23Å; L498-C532 HydrophobicContact CD2-CB 4.05Å |
| 499 | V | 94.2 | Very high | 92.9 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 21% | 0.212 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.8 | -178.3 | 179.5 | 0 | 0 | 0 | 0 | 109 | T529 T530 Q531 I533 | V499-T529 CarbonylContact O-C 3.42Å; V499-T529 WeakPolarHBondContact O-CA 3.43Å; V499-T530 PolarHBondContact O-N 3.4Å; V499-T530 PolarHBondContact O-OG1 3.25Å; V499-Q531 HydrophobicContact CB-CG 3.6Å; V499-Q531 WeakPolarHBondContact CB-O 3.46Å; V499-Q531 HydrophobicContact CG1-CG 3.97Å; V499-Q531 HydrophobicContact CG2-CG 3.93Å; V499-Q531 PolarHBondContact N-O 2.93Å; V499-I533 HydrophobicContact CG2-CD1 4.09Å; V499-I533 HydrophobicContact CG2-CG1 4.05Å; V499-I533 HydrophobicContact CG2-CG2 3.89Å |
| 500 | P | 90.3 | Very high | 93 | Very high | 89 Ų | 89 | 52.2 Ų | 52.2 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.3 | -6.3 | 11.8 | 35 | -36.1 | 0 | 0 | 0 | 115.7 | G502 T527 P528 | P500-G502 VanDerWaalsContact C-N 3.33Å; P500-G502 PolarHBondContact O-N 3.39Å; P500-T527 HydrophobicContact CG-CG2 4.2Å; P500-P528 VanDerWaalsContact CD-O 3.3Å; P500-P528 WeakPolarHBondContact CD-O 3.13Å |
| 501 | C | 94.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 45.8 Ų | 45.8 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.2 | -166.1 | 70.4 | 0 | 0 | 0 | 0 | 115.9 | H503 C522 C525 T527 | C501-H503 VanDerWaalsContact C-N 3.28Å; C501-H503 PolarHBondContact O-N 3.41Å; C501-H503 PolarHBondContact O-ND1 2.88Å; C501-H503 PolarHBondContact SG-ND1 3.36Å; C501-H503 VanDerWaalsContact SG-ND1 3.41Å; C501-C522 VanDerWaalsContact SG-SG 3.64Å; C501-C525 VanDerWaalsContact CB-SG 3.54Å; C501-T527 HydrophobicContact CB-CG2 4.09Å |
| 502 | G | 91.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 37.9 Ų | 37.9 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | trans | 75.1 | 4.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116 | L498 P500 N504 | L498-G502 WeakPolarHBondContact O-CA 3.47Å; L498-G502 PolarHBondContact O-N 2.9Å; P500-G502 VanDerWaalsContact C-N 3.33Å; P500-G502 PolarHBondContact O-N 3.39Å; G502-N504 PolarHBondContact O-N 2.82Å; G502-N504 VanDerWaalsContact O-N 3.15Å | ||
| 503 | H | 93.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | trans | -67.9 | 113.7 | -173.8 | -77.1 | 84.6 | 0 | 0 | 0 | 112.1 | A497 L498 C501 L505 F506 V524 C525 | A497-H503 VanDerWaalsContact CA-O 3.31Å; A497-H503 WeakPolarHBondContact CA-O 3.48Å; L498-H503 PolarHBondContact N-O 2.96Å; C501-H503 VanDerWaalsContact C-N 3.28Å; C501-H503 PolarHBondContact O-N 3.41Å; C501-H503 PolarHBondContact O-ND1 2.88Å; C501-H503 PolarHBondContact SG-ND1 3.36Å; C501-H503 VanDerWaalsContact SG-ND1 3.41Å; H503-L505 PolarHBondContact O-N 3.46Å; H503-F506 HydrophobicContact CB-CE2 4.1Å; H503-V524 VanDerWaalsContact CD2-CG1 3.44Å; H503-V524 WeakPolarHBondContact CD2-CG1 3.32Å; H503-C525 PolarHBondContact CE1-SG 3.33Å; H503-C525 PolarHBondContact ND1-SG 2.87Å; H503-C525 VanDerWaalsContact ND1-SG 3.38Å | ||
| 504 | N | 92.3 | Very high | 93.7 | Very high | 72 Ų | 72 | 36.3 Ų | 36.3 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | trans | -99.5 | 65.7 | -176.6 | 62.2 | 5.7 | 0 | 0 | 0 | 111.4 | R484 V494 A497 G502 I535 | R484-N504 VanDerWaalsContact CZ-O 3.3Å; R484-N504 PolarHBondContact NH1-O 2.89Å; R484-N504 PolarHBondContact NH2-O 2.71Å; R484-N504 PolarHBondContact NH2-OD1 2.99Å; R484-N504 VanDerWaalsContact NH2-OD1 3.15Å; V494-N504 WeakPolarHBondContact CG1-O 3.3Å; A497-N504 HydrophobicContact CB-CB 4.19Å; G502-N504 PolarHBondContact O-N 2.82Å; G502-N504 VanDerWaalsContact O-N 3.15Å; N504-I535 HydrophobicContact CB-CD1 3.78Å | ||
| 505 | L | 92.3 | Very high | 93.6 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | trans | -132.7 | 18 | -174 | -71.6 | 170.5 | 0 | 0 | 0 | 113.3 | F487 H503 V524 | F487-L505 HydrophobicContact CB-CB 4.2Å; F487-L505 WeakPolarHBondContact CB-O 3.49Å; F487-L505 PolarHBondContact N-O 3.42Å; H503-L505 PolarHBondContact O-N 3.46Å; L505-V524 HydrophobicContact CD1-CG1 4.32Å; L505-V524 HydrophobicContact CD1-CG2 3.97Å | ||
| 506 | F | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -130.7 | 147.5 | -171.9 | -49.7 | -73.4 | 0 | 0 | 0 | 112.1 | F487 V488 V494 T495 A496 L498 H503 A511 I514 P523 V524 | F487-F506 HydrophobicContact CB-CE1 4.36Å; V488-F506 HydrophobicContact CG2-CD1 3.81Å; V488-F506 HydrophobicContact CG2-CE1 3.89Å; V494-F506 WeakPolarHBondContact CA-O 3.38Å; T495-F506 PolarHBondContact N-O 3.31Å; A496-F506 PolarHBondContact N-O 2.91Å; L498-F506 HydrophobicContact CD1-CD2 3.89Å; L498-F506 HydrophobicContact CD1-CE2 3.51Å; L498-F506 HydrophobicContact CD1-CZ 4.01Å; L498-F506 HydrophobicContact CD2-CD2 4.3Å; L498-F506 HydrophobicContact CG-CD2 3.69Å; L498-F506 HydrophobicContact CG-CE2 3.72Å; H503-F506 HydrophobicContact CB-CE2 4.1Å; F506-A511 HydrophobicContact CB-CB 3.92Å; F506-I514 HydrophobicContact CD1-CD1 4.05Å; F506-I514 HydrophobicContact CE1-CD1 4.03Å; F506-P523 HydrophobicContact CE1-CG 3.63Å; F506-P523 HydrophobicContact CZ-CG 3.76Å; F506-V524 HydrophobicContact CZ-CG2 3.99Å |
| 507 | C | 95 | Very high | 93.3 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | -76.6 | 163.2 | 160.6 | 70.4 | 0 | 0 | 0 | 0 | 110 | C486 E493 T495 E509 A511 | C486-C507 HydrophobicContact CB-CB 3.99Å; C486-C507 PolarHBondContact SG-N 3.34Å; E493-C507 WeakPolarHBondContact O-CA 3.36Å; E493-C507 VanDerWaalsContact O-CB 3.27Å; E493-C507 WeakPolarHBondContact O-CB 3.3Å; T495-C507 WeakPolarHBondContact OG1-CA 3.36Å; C507-E509 VanDerWaalsContact C-N 3.27Å; C507-E509 PolarHBondContact O-N 2.71Å; C507-A511 VanDerWaalsContact O-CB 3.26Å; C507-A511 WeakPolarHBondContact O-CB 3.25Å; C507-A511 PolarHBondContact O-N 2.84Å | ||
| 508 | M | 94.5 | Very high | 93 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.8 | -40.4 | -179.5 | -172.3 | 53.7 | 54.7 | 0 | 0 | 113.4 | T495 A496 A511 G512 R534 | T495-M508 PolarHBondContact OG1-N 3.01Å; A496-M508 HydrophobicContact CB-CE 3.9Å; M508-A511 PolarHBondContact O-N 2.83Å; M508-G512 PolarHBondContact O-N 3.26Å; M508-R534 VanDerWaalsContact CE-CA 3.45Å; M508-R534 HydrophobicContact CE-CB 3.44Å; M508-R534 VanDerWaalsContact CE-CB 3.44Å; M508-R534 HydrophobicContact CE-CG 3.63Å |
| 509 | E | 95.1 | Very high | 92.7 | Very high | 133 Ų | 133 | 59.4 Ų | 59.4 | 62% | 0.621 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.9 | -53.7 | -176.1 | -159.3 | 61 | -140.6 | 0 | 0 | 111.6 | C507 A511 G512 Q513 | C507-E509 VanDerWaalsContact C-N 3.27Å; C507-E509 PolarHBondContact O-N 2.71Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 2.89Å; E509-G512 PolarHBondContact O-N 2.69Å; E509-Q513 WeakPolarHBondContact O-CG 3.3Å; E509-Q513 PolarHBondContact O-N 3.47Å |
| 510 | C | 94.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.5 | -35.7 | 177.5 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | V488 Q513 I514 | V488-C510 HydrophobicContact CB-CB 3.86Å; V488-C510 HydrophobicContact CG1-CB 4.02Å; V488-C510 HydrophobicContact CG2-CB 4.3Å; C510-Q513 PolarHBondContact O-N 2.86Å; C510-I514 WeakPolarHBondContact O-CD1 3.36Å; C510-I514 VanDerWaalsContact O-CG1 3.29Å; C510-I514 WeakPolarHBondContact O-CG1 3.17Å; C510-I514 PolarHBondContact O-N 3.38Å |
| 511 | A | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A496 L498 F506 C507 M508 E509 C515 C532 | A496-A511 HydrophobicContact CB-CB 3.47Å; A496-A511 VanDerWaalsContact CB-CB 3.47Å; L498-A511 HydrophobicContact CD2-CB 3.74Å; F506-A511 HydrophobicContact CB-CB 3.92Å; C507-A511 VanDerWaalsContact O-CB 3.26Å; C507-A511 WeakPolarHBondContact O-CB 3.25Å; C507-A511 PolarHBondContact O-N 2.84Å; M508-A511 PolarHBondContact O-N 2.83Å; E509-A511 VanDerWaalsContact C-N 3.32Å; E509-A511 PolarHBondContact O-N 2.89Å; A511-C515 PolarHBondContact O-N 3.49Å; A511-C515 VanDerWaalsContact O-N 3.15Å; A511-C515 PolarHBondContact O-SG 3.43Å; A511-C532 HydrophobicContact CB-CB 3.65Å |
| 512 | G | 93.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M508 E509 C515 Q516 | M508-G512 PolarHBondContact O-N 3.26Å; E509-G512 PolarHBondContact O-N 2.69Å; G512-C515 PolarHBondContact O-N 3.37Å; G512-Q516 VanDerWaalsContact C-NE2 3.34Å; G512-Q516 WeakPolarHBondContact O-CG 3.43Å; G512-Q516 PolarHBondContact O-N 3.02Å; G512-Q516 PolarHBondContact O-NE2 2.79Å |
| 513 | Q | 94 | Very high | 92.7 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.1 | -71 | 171.1 | 5.6 | 0 | 0 | 112.1 | E509 C510 C515 Q516 S517 | E509-Q513 WeakPolarHBondContact O-CG 3.3Å; E509-Q513 PolarHBondContact O-N 3.47Å; C510-Q513 PolarHBondContact O-N 2.86Å; Q513-C515 VanDerWaalsContact C-N 3.28Å; Q513-C515 PolarHBondContact O-N 2.85Å; Q513-Q516 PolarHBondContact O-N 2.98Å; Q513-Q516 VanDerWaalsContact O-N 3.07Å; Q513-S517 PolarHBondContact O-N 2.65Å; Q513-S517 VanDerWaalsContact O-N 3.14Å |
| 514 | I | 93.1 | Very high | 92.5 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 173.1 | -70.4 | 162.8 | 0 | 0 | 0 | 111.4 | V488 L498 F506 C510 Q516 S517 P520 E521 P523 | V488-I514 HydrophobicContact CG2-CD1 4.19Å; L498-I514 HydrophobicContact CD1-CD1 4.22Å; L498-I514 HydrophobicContact CD1-CG2 3.96Å; F506-I514 HydrophobicContact CD1-CD1 4.05Å; F506-I514 HydrophobicContact CE1-CD1 4.03Å; C510-I514 WeakPolarHBondContact O-CD1 3.36Å; C510-I514 VanDerWaalsContact O-CG1 3.29Å; C510-I514 WeakPolarHBondContact O-CG1 3.17Å; C510-I514 PolarHBondContact O-N 3.38Å; I514-Q516 PolarHBondContact O-N 3.35Å; I514-S517 PolarHBondContact O-OG 3.04Å; I514-S517 VanDerWaalsContact O-OG 3.06Å; I514-P520 VanDerWaalsContact O-CA 3.29Å; I514-P520 WeakPolarHBondContact O-CA 3.3Å; I514-P520 WeakPolarHBondContact O-CB 3.35Å; I514-E521 VanDerWaalsContact CG2-O 3.24Å; I514-E521 WeakPolarHBondContact CG2-O 3.32Å; I514-P523 HydrophobicContact CD1-CG 4.09Å |
| 515 | C | 91.6 | Very high | 92.6 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -6.9 | 177.4 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | A511 G512 Q513 Q531 C532 | A511-C515 PolarHBondContact O-N 3.49Å; A511-C515 VanDerWaalsContact O-N 3.15Å; A511-C515 PolarHBondContact O-SG 3.43Å; G512-C515 PolarHBondContact O-N 3.37Å; Q513-C515 VanDerWaalsContact C-N 3.28Å; Q513-C515 PolarHBondContact O-N 2.85Å; C515-Q531 VanDerWaalsContact SG-C 3.51Å; C515-C532 PolarHBondContact SG-N 2.83Å; C515-C532 VanDerWaalsContact SG-N 3.36Å |
| 516 | Q | 91.6 | Very high | 92.6 | Very high | 161 Ų | 161 | 61.4 Ų | 61.4 | 75% | 0.752 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -2.2 | -177.1 | -73.4 | 168.8 | 73.2 | 0 | 0 | 113.1 | G512 Q513 I514 | G512-Q516 VanDerWaalsContact C-NE2 3.34Å; G512-Q516 WeakPolarHBondContact O-CG 3.43Å; G512-Q516 PolarHBondContact O-N 3.02Å; G512-Q516 PolarHBondContact O-NE2 2.79Å; Q513-Q516 PolarHBondContact O-N 2.98Å; Q513-Q516 VanDerWaalsContact O-N 3.07Å; I514-Q516 PolarHBondContact O-N 3.35Å |
| 517 | S | 90.4 | Very high | 92.5 | Very high | 57 Ų | 57 | 63.7 Ų | 63.7 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -69.1 | 160.2 | 172.5 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | Q513 I514 E519 P520 | Q513-S517 PolarHBondContact O-N 2.65Å; Q513-S517 VanDerWaalsContact O-N 3.14Å; I514-S517 PolarHBondContact O-OG 3.04Å; I514-S517 VanDerWaalsContact O-OG 3.06Å; S517-E519 PolarHBondContact O-N 3.09Å; S517-E519 VanDerWaalsContact OG-C 3.3Å; S517-E519 PolarHBondContact OG-O 3.39Å; S517-P520 WeakPolarHBondContact OG-CA 3.13Å |
| 518 | A | 87.8 | Confident | 92.4 | Very high | 110 Ų | 110 | 67.5 Ų | 67.5 | 91% | 0.909 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -61.4 | -29.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 519 | E | 89.8 | Confident | 92.3 | Very high | 164 Ų | 164 | 65.2 Ų | 65.2 | 77% | 0.766 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -126.8 | 94.4 | 173.8 | -65.6 | 179 | 151.5 | 0 | 0 | 107.4 | S517 E521 | S517-E519 PolarHBondContact O-N 3.09Å; S517-E519 VanDerWaalsContact OG-C 3.3Å; S517-E519 PolarHBondContact OG-O 3.39Å; E519-E521 PolarHBondContact O-N 3.32Å; E519-E521 VanDerWaalsContact O-N 3.16Å |
| 520 | P | 90.4 | Very high | 92.1 | Very high | 42 Ų | 42 | 64.1 Ų | 64.1 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | trans | -83 | 89.7 | -174.6 | 31.6 | -34.7 | 0 | 0 | 0 | 110.7 | I514 S517 P528 T529 | I514-P520 VanDerWaalsContact O-CA 3.29Å; I514-P520 WeakPolarHBondContact O-CA 3.3Å; I514-P520 WeakPolarHBondContact O-CB 3.35Å; S517-P520 WeakPolarHBondContact OG-CA 3.13Å; P520-P528 CarbonylContact O-C 3.55Å; P520-P528 WeakPolarHBondContact O-CA 3.23Å; P520-T529 PolarHBondContact O-N 2.71Å | ||
| 521 | E | 94.2 | Very high | 91.9 | Very high | 90 Ų | 90 | 68.7 Ų | 68.7 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -111 | 145.6 | 176.4 | -69.7 | -163 | 170.4 | 0 | 0 | 113.2 | I514 E519 P523 H526 | I514-E521 VanDerWaalsContact CG2-O 3.24Å; I514-E521 WeakPolarHBondContact CG2-O 3.32Å; E519-E521 PolarHBondContact O-N 3.32Å; E519-E521 VanDerWaalsContact O-N 3.16Å; E521-P523 WeakPolarHBondContact O-CD 3.41Å; E521-H526 IonicContact OE2-CG 3.76Å; E521-H526 IonicContact OE2-ND1 3.12Å; E521-H526 PolarHBondContact OE2-ND1 2.75Å; E521-H526 VanDerWaalsContact OE2-ND1 3.12Å |
| 522 | C | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -72 | 118.5 | 169.3 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | L498 C501 V524 C525 H526 T527 T529 | L498-C522 HydrophobicContact CD1-CB 3.86Å; C501-C522 VanDerWaalsContact SG-SG 3.64Å; C522-V524 PolarHBondContact O-N 3.01Å; C522-C525 PolarHBondContact O-N 2.85Å; C522-C525 VanDerWaalsContact O-N 3.14Å; C522-H526 PolarHBondContact O-N 3.43Å; C522-T527 PolarHBondContact N-O 2.72Å; C522-T529 PolarHBondContact N-OG1 3.33Å | ||
| 523 | P | 90.4 | Very high | 91.9 | Very high | 56 Ų | 56 | 73.6 Ų | 73.6 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 3.5 | -175 | 30.6 | -37.8 | 0 | 0 | 0 | 114.7 | F506 I514 E521 | F506-P523 HydrophobicContact CE1-CG 3.63Å; F506-P523 HydrophobicContact CZ-CG 3.76Å; I514-P523 HydrophobicContact CD1-CG 4.09Å; E521-P523 WeakPolarHBondContact O-CD 3.41Å |
| 524 | V | 90.9 | Very high | 91.9 | Very high | 59 Ų | 59 | 75.3 Ų | 75.3 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -22.6 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | F487 H503 L505 F506 C522 | F487-V524 HydrophobicContact CD1-CG2 4.19Å; F487-V524 HydrophobicContact CE1-CG2 4.26Å; H503-V524 VanDerWaalsContact CD2-CG1 3.44Å; H503-V524 WeakPolarHBondContact CD2-CG1 3.32Å; L505-V524 HydrophobicContact CD1-CG1 4.32Å; L505-V524 HydrophobicContact CD1-CG2 3.97Å; F506-V524 HydrophobicContact CZ-CG2 3.99Å; C522-V524 PolarHBondContact O-N 3.01Å |
| 525 | C | 92.4 | Very high | 91.8 | Very high | 41 Ų | 41 | 76.3 Ų | 76.3 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.9 | 8.8 | -171.5 | 69.9 | 0 | 0 | 0 | 0 | 115.4 | C501 H503 C522 T527 | C501-C525 VanDerWaalsContact CB-SG 3.54Å; H503-C525 PolarHBondContact CE1-SG 3.33Å; H503-C525 PolarHBondContact ND1-SG 2.87Å; H503-C525 VanDerWaalsContact ND1-SG 3.38Å; C522-C525 PolarHBondContact O-N 2.85Å; C522-C525 VanDerWaalsContact O-N 3.14Å; C525-T527 PolarHBondContact O-N 3.19Å; C525-T527 PolarHBondContact O-OG1 3.08Å; C525-T527 PolarHBondContact SG-OG1 3.17Å |
| 526 | H | 92.3 | Very high | 91.3 | Very high | 132 Ų | 132 | 83.1 Ų | 83.1 | 61% | 0.611 | 45% | 0.446 | S | S | * | . | trans | 48 | 33 | 177.2 | -62 | -73.8 | 0 | 0 | 0 | 114.1 | E521 C522 | E521-H526 IonicContact OE2-CG 3.76Å; E521-H526 IonicContact OE2-ND1 3.12Å; E521-H526 PolarHBondContact OE2-ND1 2.75Å; E521-H526 VanDerWaalsContact OE2-ND1 3.12Å; C522-H526 PolarHBondContact O-N 3.43Å | ||
| 527 | T | 92.5 | Very high | 89.8 | Confident | 47 Ų | 47 | 84.1 Ų | 84.1 | 29% | 0.288 | 47% | 0.471 | S | S | . | . | trans | -94.3 | 128.3 | 177.3 | -53.9 | 0 | 0 | 0 | 0 | 108.1 | P500 C501 C522 C525 T529 | P500-T527 HydrophobicContact CG-CG2 4.2Å; C501-T527 HydrophobicContact CB-CG2 4.09Å; C522-T527 PolarHBondContact N-O 2.72Å; C525-T527 PolarHBondContact O-N 3.19Å; C525-T527 PolarHBondContact O-OG1 3.08Å; C525-T527 PolarHBondContact SG-OG1 3.17Å; T527-T529 PolarHBondContact O-N 3.11Å; T527-T529 PolarHBondContact O-OG1 2.82Å | ||
| 528 | P | 92.6 | Very high | 89.8 | Confident | 87 Ų | 87 | 85.5 Ų | 85.5 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | B | Isolated β-bridge | trans | -58.8 | 127.8 | 175.2 | 24 | -33.5 | 0 | 0 | 0 | 109.4 | P500 P520 | P500-P528 VanDerWaalsContact CD-O 3.3Å; P500-P528 WeakPolarHBondContact CD-O 3.13Å; P520-P528 CarbonylContact O-C 3.55Å; P520-P528 WeakPolarHBondContact O-CA 3.23Å |
| 529 | T | 92.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 84.2 Ų | 84.2 | 3% | 0.031 | 45% | 0.452 | C | S | . | . | trans | -106.6 | 127.6 | -171.9 | -66.5 | 0 | 0 | 0 | 0 | 108.8 | L498 V499 P520 C522 T527 | L498-T529 HydrophobicContact CB-CG2 3.77Å; L498-T529 HydrophobicContact CD1-CG2 4.3Å; L498-T529 HydrophobicContact CD2-CG2 4.07Å; L498-T529 HydrophobicContact CG-CG2 4.23Å; V499-T529 CarbonylContact O-C 3.42Å; V499-T529 WeakPolarHBondContact O-CA 3.43Å; P520-T529 PolarHBondContact O-N 2.71Å; C522-T529 PolarHBondContact N-OG1 3.33Å; T527-T529 PolarHBondContact O-N 3.11Å; T527-T529 PolarHBondContact O-OG1 2.82Å | ||
| 530 | T | 91.4 | Very high | 89.9 | Confident | 110 Ų | 110 | 79.8 Ų | 79.8 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | trans | -101.3 | -23.1 | -176.3 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | V499 | V499-T530 PolarHBondContact O-N 3.4Å; V499-T530 PolarHBondContact O-OG1 3.25Å | ||
| 531 | Q | 91.4 | Very high | 89.9 | Confident | 106 Ų | 106 | 82 Ų | 82 | 50% | 0.495 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 153.3 | 179.1 | 60.8 | -175.3 | 36.8 | 0 | 0 | 111.2 | V499 C515 | V499-Q531 HydrophobicContact CB-CG 3.6Å; V499-Q531 WeakPolarHBondContact CB-O 3.46Å; V499-Q531 HydrophobicContact CG1-CG 3.97Å; V499-Q531 HydrophobicContact CG2-CG 3.93Å; V499-Q531 PolarHBondContact N-O 2.93Å; C515-Q531 VanDerWaalsContact SG-C 3.51Å |
| 532 | C | 94 | Very high | 89.6 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 25% | 0.25 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.5 | 165.5 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | A497 L498 A511 C515 | A497-C532 WeakPolarHBondContact O-CA 3.48Å; L498-C532 HydrophobicContact CD2-CB 4.05Å; A511-C532 HydrophobicContact CB-CB 3.65Å; C515-C532 PolarHBondContact SG-N 2.83Å; C515-C532 VanDerWaalsContact SG-N 3.36Å |
| 533 | I | 94.5 | Very high | 89.4 | Confident | 76 Ų | 76 | 86.9 Ų | 86.9 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.2 | 174.9 | 59.3 | 172.6 | 0 | 0 | 0 | 110.5 | A496 A497 V499 | A496-I533 VanDerWaalsContact CA-O 3.27Å; A496-I533 WeakPolarHBondContact CA-O 3.44Å; A497-I533 HydrophobicContact CB-CG1 4.15Å; A497-I533 PolarHBondContact N-O 2.79Å; A497-I533 WeakPolarHBondContact O-CG1 3.35Å; A497-I533 PolarHBondContact O-N 2.85Å; V499-I533 HydrophobicContact CG2-CD1 4.09Å; V499-I533 HydrophobicContact CG2-CG1 4.05Å; V499-I533 HydrophobicContact CG2-CG2 3.89Å |
| 534 | R | 93.3 | Very high | 89.3 | Confident | 144 Ų | 144 | 89.1 Ų | 89.1 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 129.6 | 172.9 | -160.4 | 168.9 | -166.9 | 128.5 | 4.9 | 109.5 | T495 M508 F536 | T495-R534 WeakPolarHBondContact O-CA 3.43Å; T495-R534 WeakPolarHBondContact O-CG 3.49Å; M508-R534 VanDerWaalsContact CE-CA 3.45Å; M508-R534 HydrophobicContact CE-CB 3.44Å; M508-R534 VanDerWaalsContact CE-CB 3.44Å; M508-R534 HydrophobicContact CE-CG 3.63Å; R534-F536 HydrophobicContact CG-CE2 4.45Å; R534-F536 HydrophobicContact CG-CZ 4.29Å |
| 535 | I | 90.8 | Very high | 89.2 | Confident | 43 Ų | 43 | 91.5 Ų | 91.5 | 22% | 0.221 | 49% | 0.493 | C | S | . | . | trans | -103 | 134.6 | 169.7 | 56.2 | 176.4 | 0 | 0 | 0 | 108.8 | V494 T495 A497 N504 | V494-I535 HydrophobicContact CG1-CD1 4.21Å; T495-I535 PolarHBondContact O-N 2.89Å; A497-I535 HydrophobicContact CB-CG2 4.04Å; N504-I535 HydrophobicContact CB-CD1 3.78Å | ||
| 536 | F | 81.3 | Confident | 88.9 | Confident | 178 Ų | 178 | 95.7 Ų | 95.7 | 78% | 0.781 | 51% | 0.511 | S | S | * | . | trans | -104.9 | 131.5 | 168.1 | -58 | -87 | 0 | 0 | 0 | 106.2 | R534 | R534-F536 HydrophobicContact CG-CE2 4.45Å; R534-F536 HydrophobicContact CG-CZ 4.29Å | ||
| 537 | S | 60.8 | Low | 88.6 | Confident | 183 Ų | 183 | 92.4 Ų | 92.4 | 100% | 1.28 | 50% | 0.502 | S | S | * | . | trans | -102.6 | 0 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 537 of 537 residues in 90.5 ms
(Link to these results)