| 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 | 34.8 | Very low | 36.4 | Very low | 225 Ų | 225 | 153 Ų | 153 | 100% | 1.108 | 85% | 0.852 | S | S | * | * | 0 | 75.3 | 0 | -65.5 | 170.4 | 165.7 | 0 | 0 | 106.8 | |||||
| 2 | E | 35 | Very low | 36.6 | Very low | 192 Ų | 192 | 154.3 Ų | 154.3 | 90% | 0.897 | 86% | 0.855 | S | S | * | * | 72.2 | 142.5 | 55.5 | -64.2 | -178.4 | 121.4 | 0 | 0 | 114.7 | |||||
| 3 | G | 33.9 | Very low | 36.2 | Very low | 69 Ų | 69 | 148.7 Ų | 148.7 | 71% | 0.711 | 85% | 0.854 | S | S | * | * | trans | 97.5 | 96.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 4 | V | 37 | Very low | 36.3 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 93% | 0.927 | 85% | 0.85 | S | S | * | * | cis | 86.6 | 117.8 | 46 | -179.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 5 | G | 31.9 | Very low | 35.9 | Very low | 78 Ų | 78 | 150.7 Ų | 150.7 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | trans | 113.4 | 138.6 | 131.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 6 | G | 31.6 | Very low | 35.7 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | trans | 106.6 | 106.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 7 | L | 33.5 | Very low | 35.6 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 88% | 0.88 | 84% | 0.839 | S | S | * | * | 76.2 | 107.5 | 52.7 | -76.5 | 154 | 0 | 0 | 0 | 116.7 | |||||
| 8 | W | 33.2 | Very low | 36.4 | Very low | 241 Ų | 241 | 146.2 Ų | 146.2 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | trans | 9.1 | 173.1 | 140.4 | -77.9 | 0.5 | 0 | 0 | 0 | 122.6 | ||||
| 9 | P | 55.4 | Low | 36.1 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 61% | 0.61 | 84% | 0.836 | S | S | * | * | cis | -137.3 | -170.5 | -35.6 | 39.2 | -21.4 | 0 | 0 | 0 | 112.4 | ||||
| 10 | W | 36.8 | Very low | 36 | Very low | 260 Ų | 260 | 144.1 Ų | 144.1 | 99% | 0.985 | 84% | 0.836 | S | S | * | * | trans | -136.1 | 162.2 | 162.4 | -84.3 | 87.2 | 0 | 0 | 0 | 113 | ||||
| 11 | V | 37.7 | Very low | 35.9 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 79% | 0.788 | 84% | 0.838 | S | S | * | * | trans | -117.9 | 160.9 | -151.9 | 173.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 12 | L | 38.2 | Very low | 35.8 | Very low | 169 Ų | 169 | 142 Ų | 142 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -54.3 | 157.2 | 176 | -72.8 | 153 | 0 | 0 | 0 | 116.7 | ||||
| 13 | G | 32 | Very low | 35.5 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -161.5 | 128.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 14 | L | 37 | Very low | 35.6 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | -135 | 139.3 | -169.4 | -142.7 | 163.4 | 0 | 0 | 0 | 108.8 | ||||
| 15 | L | 30.9 | Very low | 36 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -168.9 | 168.8 | 159.9 | -106.7 | 163.6 | 0 | 0 | 0 | 111.9 | ||||
| 16 | S | 32.7 | Very low | 36 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 59% | 0.594 | 82% | 0.818 | S | S | * | * | trans | -127.5 | 147.1 | -139.4 | -52.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 17 | L | 34.2 | Very low | 36.4 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 62.2 | 170.3 | 139.3 | -72 | 171.8 | 0 | 0 | 0 | 120.6 | ||||
| 18 | P | 49.3 | Very low | 36.2 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | cis | -131.9 | 174.5 | -21.4 | 28.5 | -7.7 | 0 | 0 | 0 | 115 | ||||
| 19 | G | 31.1 | Very low | 36.3 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -171.9 | 131.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 20 | M | 33 | Very low | 35.3 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | -92.3 | 159.3 | -173 | -63.2 | -160.9 | -158.9 | 0 | 0 | 114.8 | ||||
| 21 | I | 35.6 | Very low | 35.8 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | -168.6 | 145.7 | 109.6 | -94.6 | 160.7 | 0 | 0 | 0 | 111.1 | |||||
| 22 | L | 31.7 | Very low | 35.6 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -85 | 164.9 | -179.4 | -88.7 | 75.4 | 0 | 0 | 0 | 113.6 | ||||
| 23 | G | 29.3 | Very low | 35.4 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -103.7 | -140.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 24 | A | 35.6 | Very low | 35.3 | Very low | 98 Ų | 98 | 123 Ų | 123 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | 99.4 | 156.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 25 | P | 45.1 | Very low | 35 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | cis | -125 | -168.8 | 15.2 | 26.9 | -2.9 | 0 | 0 | 0 | 113.9 | ||||
| 26 | L | 32.9 | Very low | 34.9 | Very low | 170 Ų | 170 | 117.2 Ų | 117.2 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | cis | -164.9 | 164.4 | -42 | -170.1 | 71 | 0 | 0 | 0 | 106.6 | ||||
| 27 | A | 38.8 | Very low | 34.7 | Very low | 87 Ų | 87 | 118.2 Ų | 118.2 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | -89.5 | 166.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 28 | S | 30.3 | Very low | 34.6 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -154.1 | 109.2 | 147.1 | 57.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 29 | S | 35.3 | Very low | 33.8 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | 64.2 | 115.7 | 72.4 | -56.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 30 | C | 33.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | 178.6 | -176.2 | 62.2 | -99.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 31 | P | 46.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 119 Ų | 119 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -143.5 | 169.8 | -40.8 | 40.1 | -22.9 | 0 | 0 | 0 | 116.4 | ||||
| 32 | G | 33.5 | Very low | 34 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 87.5 | 113.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 33 | A | 35 | Very low | 33.9 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | cis | 75.4 | 134.3 | 40.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 34 | C | 29.2 | Very low | 34.4 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | cis | -134.3 | 170.9 | 2.8 | -70.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 35 | G | 31.1 | Very low | 34.4 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | 119.3 | 105.1 | 13.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 36 | T | 28.9 | Very low | 33.8 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -155.8 | 135.4 | 168.3 | 33.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 37 | S | 28.1 | Very low | 33.9 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 36 | 111.8 | 150.9 | 60.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 38 | F | 32.8 | Very low | 33.8 | Very low | 201 Ų | 201 | 123.2 Ų | 123.2 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -69.8 | 135.8 | 145.1 | -69.2 | -92.3 | 0 | 0 | 0 | 109.6 | ||||
| 39 | P | 32.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -86 | 107 | 157.9 | 21.5 | -8.5 | 0 | 0 | 0 | 109.3 | G41 | P39-G41 PolarHBondContact O-N 3.37Š| ||
| 40 | D | 38.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 121 Ų | 121 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -61.2 | 117 | 156.8 | -83.3 | -48.5 | 0 | 0 | 0 | 108.2 | ||||
| 41 | G | 32.9 | Very low | 35 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | 163.8 | 39.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | P39 | P39-G41 PolarHBondContact O-N 3.37Š| ||
| 42 | L | 31.4 | Very low | 35.2 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -102.2 | 90.5 | 166.9 | -69 | 179.8 | 0 | 0 | 0 | 109.9 | ||||
| 43 | T | 28.8 | Very low | 36.6 | Very low | 110 Ų | 110 | 128 Ų | 128 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -62.4 | 143.3 | 162.6 | 44.6 | 0 | 0 | 0 | 0 | 109.9 | E45 | T43-E45 PolarHBondContact O-N 3.16Š| ||
| 44 | P | 40.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 124 Ų | 124 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -80.6 | 58.2 | 179.4 | 34.8 | -36.4 | 0 | 0 | 0 | 111.7 | ||
| 45 | E | 36.1 | Very low | 41.5 | Very low | 165 Ų | 165 | 117.8 Ų | 117.8 | 77% | 0.771 | 69% | 0.688 | S | S | * | * | trans | -125.9 | 34 | 174.2 | -92.9 | -171.8 | 129.7 | 0 | 0 | 112.7 | T43 T47 | T43-E45 PolarHBondContact O-N 3.16Å; E45-T47 PolarHBondContact O-N 2.75Å | ||
| 46 | G | 32.6 | Very low | 44.3 | Very low | 80 Ų | 80 | 114.7 Ų | 114.7 | 83% | 0.825 | 66% | 0.656 | S | S | * | * | trans | -76.6 | 58.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q48 | G46-Q48 PolarHBondContact O-N 3.27Š| ||
| 47 | T | 33.6 | Very low | 47 | Very low | 106 Ų | 106 | 110.5 Ų | 110.5 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | trans | -59.5 | 135.9 | -177.1 | -46.8 | 0 | 0 | 0 | 0 | 110.7 | E45 A49 | E45-T47 PolarHBondContact O-N 2.75Å; T47-A49 HydrophobicContact CG2-CB 4.37Å; T47-A49 PolarHBondContact O-N 3.13Å | ||
| 48 | Q | 37.8 | Very low | 49.9 | Very low | 192 Ų | 192 | 106.9 Ų | 106.9 | 90% | 0.897 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -64.5 | 61.9 | -179.9 | -167.8 | 99.6 | 14.6 | 0 | 0 | 112.6 | G46 | G46-Q48 PolarHBondContact O-N 3.27Š|
| 49 | A | 39.2 | Very low | 52.7 | Low | 73 Ų | 73 | 97.3 Ų | 97.3 | 60% | 0.603 | 57% | 0.565 | S | S | * | * | trans | -132.2 | -0.2 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T47 | T47-A49 HydrophobicContact CG2-CB 4.37Å; T47-A49 PolarHBondContact O-N 3.13Å | ||
| 50 | S | 44.9 | Very low | 55 | Low | 96 Ų | 96 | 95.1 Ų | 95.1 | 67% | 0.671 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -102.1 | -26.6 | -175.4 | -175.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 51 | W | 39.9 | Very low | 56.9 | Low | 226 Ų | 226 | 91 Ų | 91 | 86% | 0.856 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -106.5 | 146.3 | -178.3 | -49.9 | 91.6 | 0 | 0 | 0 | 109.1 | ||
| 52 | D | 50.6 | Low | 59.3 | Low | 104 Ų | 104 | 89.9 Ų | 89.9 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | trans | 69.8 | 41.8 | -179.8 | -57.4 | -9.4 | 0 | 0 | 0 | 119 | D54 | D52-D54 PolarHBondContact O-N 3.09Š| ||
| 53 | K | 63.8 | Low | 61.6 | Low | 130 Ų | 130 | 81.8 Ų | 81.8 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | trans | -66.1 | 77.3 | 140.2 | -67.1 | -172 | -177.8 | -178.1 | 0 | 109.9 | I58 K175 | K53-I58 HydrophobicContact CB-CG1 4.24Å; K53-K175 PolarHBondContact O-NZ 2.83Å | ||
| 54 | D | 81.2 | Confident | 63.8 | Low | 18 Ų | 18 | 79.1 Ų | 79.1 | 10% | 0.096 | 46% | 0.464 | C | S | . | . | trans | -77.2 | 168.2 | 166.2 | -166 | 6.7 | 0 | 0 | 0 | 109.4 | D52 A57 I58 G239 R264 | D52-D54 PolarHBondContact O-N 3.09Å; D54-A57 WeakPolarHBondContact O-CA 3.38Å; D54-A57 WeakPolarHBondContact O-CB 3.48Å; D54-A57 PolarHBondContact O-N 3.07Å; D54-I58 PolarHBondContact O-N 3.42Å; D54-G239 PolarHBondContact OD2-N 3.19Å; D54-R264 IonicContact OD1-CZ 3.7Å; D54-R264 IonicContact OD1-NE 2.74Å; D54-R264 IonicContact OD1-NH2 3.53Å; D54-R264 PolarHBondContact OD1-NH2 3.32Å | ||
| 55 | I | 86.6 | Confident | 65.4 | Low | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -54.3 | -45.8 | -174.1 | -59 | 171 | 0 | 0 | 0 | 112.6 | A57 I58 N59 D77 C153 I179 H182 | I55-A57 PolarHBondContact O-N 3.23Å; I55-I58 PolarHBondContact O-N 2.95Å; I55-N59 PolarHBondContact O-N 3.29Å; I55-D77 HydrophobicContact CG2-CB 3.68Å; I55-D77 VanDerWaalsContact CG2-OD2 3.24Å; I55-D77 WeakPolarHBondContact CG2-OD2 3.35Å; I55-C153 HydrophobicContact CG2-CB 4.06Å; I55-I179 HydrophobicContact CD1-CB 4.48Å; I55-I179 HydrophobicContact CD1-CG1 4.28Å; I55-I179 HydrophobicContact CD1-CG2 3.92Å; I55-I179 HydrophobicContact CG1-CD1 4.26Å; I55-I179 HydrophobicContact CG1-CG1 4.04Å; I55-I179 HydrophobicContact CG1-CG2 4Å; I55-H182 HydrophobicContact CD1-CB 4.1Å; I55-H182 WeakPolarHBondContact CD1-CD2 3.3Å |
| 56 | P | 88.3 | Confident | 67.1 | Low | 3 Ų | 3 | 79.2 Ų | 79.2 | 2% | 0.019 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -51.7 | -38.1 | 172.1 | -33.3 | 39.7 | 0 | 0 | 0 | 115 | Q60 Y238 A242 F243 | P56-Q60 PolarHBondContact O-N 3.22Å; P56-Q60 VanDerWaalsContact O-N 3.07Å; P56-Y238 HydrophobicContact CG-CD1 4.16Å; P56-Y238 HydrophobicContact CG-CE1 3.77Å; P56-Y238 HydrophobicContact CG-CE2 4.26Å; P56-A242 HydrophobicContact CB-CB 4.46Å; P56-A242 HydrophobicContact CG-CB 4.1Å; P56-F243 HydrophobicContact CB-CD1 4.31Å; P56-F243 HydrophobicContact CB-CD2 4.2Å; P56-F243 HydrophobicContact CB-CE1 3.89Å; P56-F243 HydrophobicContact CB-CE2 3.79Å; P56-F243 HydrophobicContact CB-CG 4.46Å; P56-F243 HydrophobicContact CB-CZ 3.63Å; P56-F243 HydrophobicContact CG-CE2 4.06Å; P56-F243 HydrophobicContact CG-CZ 4.25Å |
| 57 | A | 87.1 | Confident | 69.1 | Low | 50 Ų | 50 | 78.1 Ų | 78.1 | 41% | 0.413 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -80 | -26.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D54 I55 | D54-A57 WeakPolarHBondContact O-CA 3.38Å; D54-A57 WeakPolarHBondContact O-CB 3.48Å; D54-A57 PolarHBondContact O-N 3.07Å; I55-A57 PolarHBondContact O-N 3.23Å |
| 58 | I | 88.8 | Confident | 70.9 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 15% | 0.154 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71.7 | -37.1 | 170.5 | -60.2 | 170.4 | 0 | 0 | 0 | 110.1 | K53 D54 I55 I179 | K53-I58 HydrophobicContact CB-CG1 4.24Å; D54-I58 PolarHBondContact O-N 3.42Å; I55-I58 PolarHBondContact O-N 2.95Å; I58-I179 HydrophobicContact CD1-CD1 3.86Å |
| 59 | N | 91.2 | Very high | 72.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -89.2 | -3.9 | -176.8 | -72 | 1.2 | 0 | 0 | 0 | 115.1 | I55 G61 L62 G76 D77 G152 C153 | I55-N59 PolarHBondContact O-N 3.29Å; N59-G61 PolarHBondContact O-N 3.39Å; N59-G61 VanDerWaalsContact O-N 3.12Å; N59-L62 HydrophobicContact CB-CD1 4.43Å; N59-L62 WeakPolarHBondContact O-CA 3.4Å; N59-L62 WeakPolarHBondContact O-CB 3.23Å; N59-L62 PolarHBondContact O-N 2.94Å; N59-G76 WeakPolarHBondContact CB-O 3.39Å; N59-G76 PolarHBondContact ND2-O 3.19Å; N59-D77 WeakPolarHBondContact ND2-CB 3.21Å; N59-G152 WeakPolarHBondContact OD1-CA 3.35Å; N59-C153 PolarHBondContact ND2-O 2.66Å; N59-C153 PolarHBondContact OD1-N 2.97Å; N59-C153 PolarHBondContact OD1-O 2.79Å |
| 60 | Q | 80.8 | Confident | 74.3 | Confident | 72 Ų | 72 | 69 Ų | 69 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -53.1 | -40.1 | -175.1 | -174 | 175.5 | -12.2 | 0 | 0 | 112.4 | P56 L62 I63 E65 | P56-Q60 PolarHBondContact O-N 3.22Å; P56-Q60 VanDerWaalsContact O-N 3.07Å; Q60-L62 PolarHBondContact O-N 2.82Å; Q60-L62 VanDerWaalsContact O-N 3.17Å; Q60-I63 PolarHBondContact O-N 2.73Å; Q60-E65 PolarHBondContact NE2-OE1 3.07Å |
| 61 | G | 79.9 | Confident | 76.2 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 87% | 0.866 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -70.6 | -2.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | N59 | N59-G61 PolarHBondContact O-N 3.39Å; N59-G61 VanDerWaalsContact O-N 3.12Å |
| 62 | L | 82.5 | Confident | 78.5 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -99.1 | -13.7 | 173.1 | -60 | 179.1 | 0 | 0 | 0 | 113.1 | N59 Q60 F72 L73 Y151 F154 | N59-L62 HydrophobicContact CB-CD1 4.43Å; N59-L62 WeakPolarHBondContact O-CA 3.4Å; N59-L62 WeakPolarHBondContact O-CB 3.23Å; N59-L62 PolarHBondContact O-N 2.94Å; Q60-L62 PolarHBondContact O-N 2.82Å; Q60-L62 VanDerWaalsContact O-N 3.17Å; L62-F72 HydrophobicContact CB-CE1 4.32Å; L62-F72 HydrophobicContact CB-CZ 4.4Å; L62-F72 HydrophobicContact CD1-CZ 4.4Å; L62-L73 HydrophobicContact CB-CD1 4.16Å; L62-L73 HydrophobicContact CD1-CD1 4.04Å; L62-Y151 WeakPolarHBondContact CD1-O 3.37Å; L62-F154 HydrophobicContact CD1-CD1 3.92Å; L62-F154 HydrophobicContact CD1-CE1 3.98Å |
| 63 | I | 79.8 | Confident | 80.4 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -105.9 | 112.1 | -175.6 | -55.9 | 167.9 | 0 | 0 | 0 | 106.7 | Q60 E65 P68 F214 F243 | Q60-I63 PolarHBondContact O-N 2.73Å; I63-E65 PolarHBondContact O-N 2.79Å; I63-E65 VanDerWaalsContact O-N 3.13Å; I63-P68 HydrophobicContact CG2-CB 3.9Å; I63-F214 HydrophobicContact CB-CE1 3.88Å; I63-F214 HydrophobicContact CB-CZ 4.29Å; I63-F214 HydrophobicContact CD1-CE1 4.03Å; I63-F214 HydrophobicContact CG2-CD1 4.21Å; I63-F214 HydrophobicContact CG2-CE1 3.43Å; I63-F214 VanDerWaalsContact CG2-CE1 3.43Å; I63-F214 HydrophobicContact CG2-CZ 3.83Å; I63-F243 HydrophobicContact CD1-CE1 3.84Å; I63-F243 HydrophobicContact CD1-CZ 3.93Å |
| 64 | P | 75.8 | Confident | 81.7 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | trans | -61.6 | 117.5 | -177.6 | -21.9 | 33.2 | 0 | 0 | 0 | 110.8 | E66 T67 P68 | P64-E66 PolarHBondContact O-N 2.95Å; P64-T67 CarbonylContact O-C 3.22Å; P64-T67 PolarHBondContact O-N 2.87Å; P64-T67 VanDerWaalsContact O-N 3.12Å; P64-P68 WeakPolarHBondContact O-CA 3.23Å; P64-P68 WeakPolarHBondContact O-CD 3.49Å; P64-P68 WeakPolarHBondContact O-CG 3.41Å | ||
| 65 | E | 73.5 | Confident | 82.3 | Confident | 120 Ų | 120 | 49 Ų | 49 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.5 | -177 | -62.7 | -167.9 | 151.8 | 0 | 0 | 112.5 | Q60 I63 F214 | Q60-E65 PolarHBondContact NE2-OE1 3.07Å; I63-E65 PolarHBondContact O-N 2.79Å; I63-E65 VanDerWaalsContact O-N 3.13Å; E65-F214 HydrophobicContact CG-CZ 4.44Å |
| 66 | E | 72.3 | Confident | 82.6 | Confident | 180 Ų | 180 | 49 Ų | 49 | 84% | 0.841 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -23 | 178 | -57.3 | -64.8 | 169 | 0 | 0 | 113.9 | P64 | P64-E66 PolarHBondContact O-N 2.95Š|
| 67 | T | 72.8 | Confident | 82.9 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | trans | -149.4 | 62.6 | -177.2 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | P64 E69 S70 | P64-T67 CarbonylContact O-C 3.22Å; P64-T67 PolarHBondContact O-N 2.87Å; P64-T67 VanDerWaalsContact O-N 3.12Å; T67-E69 WeakPolarHBondContact CA-OE1 3.28Å; T67-E69 VanDerWaalsContact CB-OE1 3.24Å; T67-E69 WeakPolarHBondContact CB-OE1 3.31Å; T67-E69 PolarHBondContact O-N 2.75Å; T67-E69 VanDerWaalsContact O-N 3.17Å; T67-S70 WeakPolarHBondContact CB-OG 3.06Å; T67-S70 WeakPolarHBondContact O-CB 3.08Å; T67-S70 PolarHBondContact O-N 3.36Å; T67-S70 PolarHBondContact O-OG 3.32Å; T67-S70 PolarHBondContact OG1-OG 3.45Å; T67-S70 VanDerWaalsContact OG1-OG 3.11Å | ||
| 68 | P | 72.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.045 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -62.1 | -27.9 | -174.6 | -22.8 | 35.5 | 0 | 0 | 0 | 113 | I63 P64 S70 S71 F214 | I63-P68 HydrophobicContact CG2-CB 3.9Å; P64-P68 WeakPolarHBondContact O-CA 3.23Å; P64-P68 WeakPolarHBondContact O-CD 3.49Å; P64-P68 WeakPolarHBondContact O-CG 3.41Å; P68-S70 PolarHBondContact O-N 2.99Å; P68-S71 WeakPolarHBondContact O-CB 3.31Å; P68-S71 PolarHBondContact O-N 2.97Å; P68-S71 VanDerWaalsContact O-N 3.13Å; P68-F214 HydrophobicContact CB-CD2 4.41Å; P68-F214 HydrophobicContact CB-CE2 4.37Å; P68-F214 HydrophobicContact CB-CZ 4.49Å; P68-F214 HydrophobicContact CG-CD2 4.01Å; P68-F214 HydrophobicContact CG-CE2 3.8Å; P68-F214 HydrophobicContact CG-CZ 4.26Å |
| 69 | E | 72.3 | Confident | 83.5 | Confident | 104 Ų | 104 | 46.8 Ų | 46.8 | 49% | 0.486 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -66.4 | -22.5 | 173.7 | 74 | -61 | 144.1 | 0 | 0 | 113.8 | T67 S71 R80 | T67-E69 WeakPolarHBondContact CA-OE1 3.28Å; T67-E69 VanDerWaalsContact CB-OE1 3.24Å; T67-E69 WeakPolarHBondContact CB-OE1 3.31Å; T67-E69 PolarHBondContact O-N 2.75Å; T67-E69 VanDerWaalsContact O-N 3.17Å; E69-S71 VanDerWaalsContact C-N 3.3Å; E69-R80 VanDerWaalsContact O-CZ 3.31Å; E69-R80 PolarHBondContact O-NH1 3.35Å; E69-R80 PolarHBondContact O-NH2 2.96Å |
| 70 | S | 75.8 | Confident | 83.3 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -78.1 | -14.1 | 172.9 | 82.7 | 0 | 0 | 0 | 0 | 113.4 | T67 P68 | T67-S70 WeakPolarHBondContact CB-OG 3.06Å; T67-S70 WeakPolarHBondContact O-CB 3.08Å; T67-S70 PolarHBondContact O-N 3.36Å; T67-S70 PolarHBondContact O-OG 3.32Å; T67-S70 PolarHBondContact OG1-OG 3.45Å; T67-S70 VanDerWaalsContact OG1-OG 3.11Å; P68-S70 PolarHBondContact O-N 2.99Å |
| 71 | S | 84.1 | Confident | 83.3 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | trans | -54.4 | 138.8 | -177.4 | -175.5 | 0 | 0 | 0 | 0 | 112.9 | P68 E69 L73 R80 | P68-S71 WeakPolarHBondContact O-CB 3.31Å; P68-S71 PolarHBondContact O-N 2.97Å; P68-S71 VanDerWaalsContact O-N 3.13Å; E69-S71 VanDerWaalsContact C-N 3.3Å; S71-L73 WeakPolarHBondContact CB-O 3.48Å; S71-L73 PolarHBondContact O-N 3.5Å; S71-L73 PolarHBondContact OG-N 3.11Å; S71-L73 VanDerWaalsContact OG-N 3.07Å; S71-L73 PolarHBondContact OG-O 3.41Å; S71-R80 PolarHBondContact O-NE 2.03Å; S71-R80 PolarHBondContact O-NH2 2.69Å | ||
| 72 | F | 88 | Confident | 83.2 | Confident | 95 Ų | 95 | 49.6 Ų | 49.6 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -69.2 | -13 | 170.3 | 73.6 | -82.8 | 0 | 0 | 0 | 112.3 | L62 R80 F154 | L62-F72 HydrophobicContact CB-CE1 4.32Å; L62-F72 HydrophobicContact CB-CZ 4.4Å; L62-F72 HydrophobicContact CD1-CZ 4.4Å; F72-R80 WeakPolarHBondContact O-CB 3.45Å; F72-R80 PolarHBondContact O-N 3.35Å; F72-F154 HydrophobicContact CE2-CE1 4.18Å; F72-F154 HydrophobicContact CE2-CE2 4.31Å; F72-F154 HydrophobicContact CE2-CZ 4.07Å; F72-F154 HydrophobicContact CZ-CE1 4.23Å; F72-F154 HydrophobicContact CZ-CZ 4.45Å |
| 73 | L | 91.8 | Very high | 82.6 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.1 | 171.6 | -57.8 | 175.8 | 0 | 0 | 0 | 110.4 | L62 S71 G76 I78 V79 F154 | L62-L73 HydrophobicContact CB-CD1 4.16Å; L62-L73 HydrophobicContact CD1-CD1 4.04Å; S71-L73 WeakPolarHBondContact CB-O 3.48Å; S71-L73 PolarHBondContact O-N 3.5Å; S71-L73 PolarHBondContact OG-N 3.11Å; S71-L73 VanDerWaalsContact OG-N 3.07Å; S71-L73 PolarHBondContact OG-O 3.41Å; L73-G76 WeakPolarHBondContact CD1-O 3.45Å; L73-I78 CarbonylContact C-O 3.56Å; L73-I78 VanDerWaalsContact CA-O 3.3Å; L73-I78 WeakPolarHBondContact CA-O 3.27Å; L73-V79 HydrophobicContact CD2-CG2 4.14Å; L73-F154 HydrophobicContact CD1-CB 4.44Å; L73-F154 HydrophobicContact CD1-CD1 4.37Å; L73-F154 HydrophobicContact CD2-CB 3.75Å; L73-F154 HydrophobicContact CD2-CD1 4.37Å; L73-F154 HydrophobicContact CD2-CD2 4.3Å; L73-F154 HydrophobicContact CD2-CG 3.94Å |
| 74 | I | 90.9 | Very high | 82 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 150.9 | 165.4 | 64.7 | -178 | 0 | 0 | 0 | 107.6 | G76 I78 R80 W191 | I74-G76 PolarHBondContact O-N 2.77Å; I74-G76 VanDerWaalsContact O-N 3.12Å; I74-I78 HydrophobicContact CD1-CG2 4.12Å; I74-I78 HydrophobicContact CG1-CB 3.81Å; I74-I78 HydrophobicContact CG1-CG2 3.82Å; I74-I78 PolarHBondContact N-O 3.4Å; I74-I78 VanDerWaalsContact O-CB 3.31Å; I74-I78 WeakPolarHBondContact O-CB 3.42Å; I74-I78 PolarHBondContact O-N 3.49Å; I74-R80 HydrophobicContact CG2-CB 4.13Å; I74-R80 HydrophobicContact CG2-CG 4.07Å; I74-W191 HydrophobicContact CD1-CH2 3.87Å; I74-W191 HydrophobicContact CD1-CZ3 3.78Å; I74-W191 HydrophobicContact CG1-CZ3 4.44Å |
| 75 | E | 92.7 | Very high | 81.5 | Confident | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 39.2 | -173.6 | -55.9 | 179 | -161.5 | 0 | 0 | 111.9 | D77 I78 H192 N217 Y238 | E75-D77 PolarHBondContact O-N 3.1Å; E75-I78 HydrophobicContact CB-CD1 4.14Å; E75-H192 WeakPolarHBondContact CB-ND1 3.5Å; E75-H192 PolarHBondContact O-CE1 2.82Å; E75-H192 VanDerWaalsContact O-CE1 3.29Å; E75-H192 WeakPolarHBondContact OE2-CB 3.25Å; E75-H192 IonicContact OE2-CE1 2.94Å; E75-H192 IonicContact OE2-CG 2.92Å; E75-H192 IonicContact OE2-ND1 3.12Å; E75-H192 PolarHBondContact OE2-ND1 3.17Å; E75-N217 VanDerWaalsContact CA-OD1 3.27Å; E75-N217 WeakPolarHBondContact CA-OD1 3.39Å; E75-N217 PolarHBondContact N-OD1 2.69Å; E75-Y238 PolarHBondContact O-OH 3.31Å |
| 76 | G | 92.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -30.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | N59 L73 I74 N217 | N59-G76 WeakPolarHBondContact CB-O 3.39Å; N59-G76 PolarHBondContact ND2-O 3.19Å; L73-G76 WeakPolarHBondContact CD1-O 3.45Å; I74-G76 PolarHBondContact O-N 2.77Å; I74-G76 VanDerWaalsContact O-N 3.12Å; G76-N217 PolarHBondContact N-OD1 2.96Å |
| 77 | D | 95.6 | Very high | 80 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.1 | -0.7 | -169.9 | 48.2 | 36.1 | 0 | 0 | 0 | 114.3 | I55 N59 E75 C153 F154 S155 H182 H186 H192 | I55-D77 HydrophobicContact CG2-CB 3.68Å; I55-D77 VanDerWaalsContact CG2-OD2 3.24Å; I55-D77 WeakPolarHBondContact CG2-OD2 3.35Å; N59-D77 WeakPolarHBondContact ND2-CB 3.21Å; E75-D77 PolarHBondContact O-N 3.1Å; D77-C153 WeakPolarHBondContact CB-O 3.5Å; D77-F154 HydrophobicContact CB-CB 4.34Å; D77-F154 WeakPolarHBondContact O-CA 3.34Å; D77-F154 WeakPolarHBondContact O-CB 3.25Å; D77-S155 PolarHBondContact O-N 2.92Å; D77-H182 IonicContact OD2-NE2 3.41Å; D77-H186 IonicContact OD1-NE2 3.99Å; D77-H186 PolarHBondContact OD1-NE2 2.96Å; D77-H192 IonicContact OD1-CE1 3.91Å; D77-H192 PolarHBondContact OD1-CE1 2.94Å; D77-H192 IonicContact OD1-NE2 3.35Å; D77-H192 IonicContact OD2-CE1 2.82Å; D77-H192 IonicContact OD2-NE2 2.68Å |
| 78 | I | 94.4 | Very high | 79.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.7 | 175.9 | -61 | 170.9 | 0 | 0 | 0 | 109.8 | L73 I74 E75 R80 S155 V157 W191 | L73-I78 CarbonylContact C-O 3.56Å; L73-I78 VanDerWaalsContact CA-O 3.3Å; L73-I78 WeakPolarHBondContact CA-O 3.27Å; I74-I78 HydrophobicContact CD1-CG2 4.12Å; I74-I78 HydrophobicContact CG1-CB 3.81Å; I74-I78 HydrophobicContact CG1-CG2 3.82Å; I74-I78 PolarHBondContact N-O 3.4Å; I74-I78 VanDerWaalsContact O-CB 3.31Å; I74-I78 WeakPolarHBondContact O-CB 3.42Å; I74-I78 PolarHBondContact O-N 3.49Å; E75-I78 HydrophobicContact CB-CD1 4.14Å; I78-R80 PolarHBondContact O-N 2.99Å; I78-S155 WeakPolarHBondContact CA-O 3.3Å; I78-V157 HydrophobicContact CB-CG2 4.44Å; I78-V157 HydrophobicContact CD1-CG2 3.86Å; I78-V157 HydrophobicContact CG1-CG2 4.01Å; I78-V157 HydrophobicContact CG2-CB 4.46Å; I78-V157 HydrophobicContact CG2-CG2 3.62Å; I78-W191 HydrophobicContact CD1-CD2 4.3Å; I78-W191 HydrophobicContact CD1-CE3 3.46Å; I78-W191 VanDerWaalsContact CD1-CE3 3.46Å; I78-W191 HydrophobicContact CD1-CZ3 3.71Å; I78-W191 HydrophobicContact CG2-CH2 4.42Å; I78-W191 HydrophobicContact CG2-CZ3 4.24Å |
| 79 | V | 93.1 | Very high | 78.3 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 21% | 0.212 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 121.5 | 173.9 | -180 | 0 | 0 | 0 | 0 | 110.1 | L73 P81 F154 S155 | L73-V79 HydrophobicContact CD2-CG2 4.14Å; V79-P81 WeakPolarHBondContact O-CD 3.28Å; V79-F154 HydrophobicContact CG2-CD2 3.59Å; V79-F154 HydrophobicContact CG2-CE2 4.06Å; V79-S155 PolarHBondContact N-O 3.25Å |
| 80 | R | 88.1 | Confident | 77.8 | Confident | 107 Ų | 107 | 62.7 Ų | 62.7 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 121.2 | -178.8 | -170.1 | 175.6 | -65.1 | -170.1 | 1.8 | 110 | E69 S71 F72 I74 I78 S82 | E69-R80 VanDerWaalsContact O-CZ 3.31Å; E69-R80 PolarHBondContact O-NH1 3.35Å; E69-R80 PolarHBondContact O-NH2 2.96Å; S71-R80 PolarHBondContact O-NE 2.03Å; S71-R80 PolarHBondContact O-NH2 2.69Å; F72-R80 WeakPolarHBondContact O-CB 3.45Å; F72-R80 PolarHBondContact O-N 3.35Å; I74-R80 HydrophobicContact CG2-CB 4.13Å; I74-R80 HydrophobicContact CG2-CG 4.07Å; I78-R80 PolarHBondContact O-N 2.99Å; R80-S82 PolarHBondContact O-N 3.07Å |
| 81 | P | 80.5 | Confident | 77.7 | Confident | 47 Ų | 47 | 63 Ų | 63 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 135.2 | 178.4 | -24.8 | 34.4 | 0 | 0 | 0 | 111.7 | V79 | V79-P81 WeakPolarHBondContact O-CD 3.28Š|
| 82 | S | 76.9 | Confident | 77.8 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 135.3 | 170.1 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | R80 F84 R85 | R80-S82 PolarHBondContact O-N 3.07Å; S82-F84 PolarHBondContact O-N 2.81Å; S82-F84 VanDerWaalsContact O-N 3.11Å; S82-F84 PolarHBondContact OG-N 2.85Å; S82-R85 VanDerWaalsContact O-CB 3.26Å; S82-R85 WeakPolarHBondContact O-CB 3.45Å; S82-R85 PolarHBondContact O-N 3.32Å |
| 83 | P | 70.8 | Confident | 78 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 62% | 0.623 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -53.7 | -33.4 | 176.7 | -27.5 | 35.3 | 0 | 0 | 0 | 113 | R85 L86 | P83-R85 VanDerWaalsContact C-N 3.27Å; P83-R85 PolarHBondContact O-N 3.45Å; P83-L86 WeakPolarHBondContact O-CB 3.47Å; P83-L86 PolarHBondContact O-N 3.16Å |
| 84 | F | 68 | Low | 78.2 | Confident | 165 Ų | 165 | 65.9 Ų | 65.9 | 72% | 0.724 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -69.3 | -20.6 | 177.1 | -56.8 | -73.4 | 0 | 0 | 0 | 113.5 | S82 L86 L87 | S82-F84 PolarHBondContact O-N 2.81Å; S82-F84 VanDerWaalsContact O-N 3.11Å; S82-F84 PolarHBondContact OG-N 2.85Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 2.96Å; F84-L87 PolarHBondContact O-N 3.26Å |
| 85 | R | 64.8 | Low | 78.3 | Confident | 56 Ų | 56 | 68 Ų | 68 | 21% | 0.211 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -69.5 | -26.7 | 173.7 | -171.9 | 178.8 | 171.8 | -151.1 | -0.7 | 111.8 | S82 P83 L87 S88 V157 R159 S160 | S82-R85 VanDerWaalsContact O-CB 3.26Å; S82-R85 WeakPolarHBondContact O-CB 3.45Å; S82-R85 PolarHBondContact O-N 3.32Å; P83-R85 VanDerWaalsContact C-N 3.27Å; P83-R85 PolarHBondContact O-N 3.45Å; R85-L87 PolarHBondContact O-N 3.24Å; R85-S88 VanDerWaalsContact O-CB 3.32Å; R85-S88 WeakPolarHBondContact O-CB 3.36Å; R85-S88 PolarHBondContact O-N 2.81Å; R85-V157 PolarHBondContact NH1-O 3.03Å; R85-V157 PolarHBondContact NH2-O 3.22Å; R85-R159 PolarHBondContact NH2-O 3.11Å; R85-S160 PolarHBondContact NH1-OG 2.79Å; R85-S160 PolarHBondContact NH2-OG 2.68Å |
| 86 | L | 59.1 | Low | 78.2 | Confident | 149 Ų | 149 | 70.7 Ų | 70.7 | 78% | 0.78 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -66.2 | -20.1 | 175.3 | -62.8 | 171.8 | 0 | 0 | 0 | 112.9 | P83 F84 | P83-L86 WeakPolarHBondContact O-CB 3.47Å; P83-L86 PolarHBondContact O-N 3.16Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 2.96Å |
| 87 | L | 55.8 | Low | 77.7 | Confident | 148 Ų | 148 | 72.8 Ų | 72.8 | 78% | 0.775 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -91.2 | -5 | 174.2 | -58.9 | 176.1 | 0 | 0 | 0 | 112.8 | F84 R85 A89 | F84-L87 PolarHBondContact O-N 3.26Å; R85-L87 PolarHBondContact O-N 3.24Å; L87-A89 PolarHBondContact O-N 3.49Å |
| 88 | S | 56.1 | Low | 76.8 | Confident | 56 Ų | 56 | 76.5 Ų | 76.5 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | trans | -80.4 | 118.6 | -178.6 | -168.7 | 0 | 0 | 0 | 0 | 111 | R85 T90 | R85-S88 VanDerWaalsContact O-CB 3.32Å; R85-S88 WeakPolarHBondContact O-CB 3.36Å; R85-S88 PolarHBondContact O-N 2.81Å; S88-T90 PolarHBondContact O-N 2.81Å; S88-T90 PolarHBondContact OG-OG1 3.42Å | ||
| 89 | A | 53.8 | Low | 76.1 | Confident | 111 Ų | 111 | 80.6 Ų | 80.6 | 92% | 0.917 | 51% | 0.509 | S | S | * | . | trans | -67.4 | 0.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L87 | L87-A89 PolarHBondContact O-N 3.49Š| ||
| 90 | T | 61.5 | Low | 75.8 | Confident | 62 Ų | 62 | 79.9 Ų | 79.9 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -75 | 123.4 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | S88 S92 | S88-T90 PolarHBondContact O-N 2.81Å; S88-T90 PolarHBondContact OG-OG1 3.42Å; T90-S92 PolarHBondContact O-N 3.21Å |
| 91 | S | 73.8 | Confident | 76 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 51% | 0.51 | 50% | 0.504 | S | S | . | . | trans | -48.9 | 131.4 | 170.5 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | K93 R159 | S91-K93 PolarHBondContact O-N 2.8Å; S91-K93 PolarHBondContact OG-N 3.28Å; S91-R159 PolarHBondContact O-NH2 3.23Å | ||
| 92 | S | 85.9 | Confident | 76.7 | Confident | 74 Ų | 74 | 75 Ų | 75 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -72.1 | -4.4 | 175.5 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | T90 G158 R159 | T90-S92 PolarHBondContact O-N 3.21Å; S92-G158 CarbonylContact O-C 3.51Å; S92-G158 VanDerWaalsContact O-CA 3.31Å; S92-G158 WeakPolarHBondContact O-CA 3.42Å; S92-R159 PolarHBondContact O-N 3.37Å |
| 93 | K | 92.1 | Very high | 77.7 | Confident | 86 Ų | 86 | 77 Ų | 77 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -81.1 | 152.5 | 170.8 | -61.3 | -173.1 | -176.9 | -175.6 | 0 | 111.1 | S91 R159 L278 Y279 | S91-K93 PolarHBondContact O-N 2.8Å; S91-K93 PolarHBondContact OG-N 3.28Å; K93-R159 PolarHBondContact O-NE 3.43Å; K93-L278 HydrophobicContact CD-CG 4.44Å; K93-L278 PolarHBondContact NZ-O 3.28Å; K93-Y279 HydrophobicContact CB-CE1 4.13Å |
| 94 | W | 95.3 | Very high | 78.9 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 2% | 0.019 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -66 | 144.8 | 161.4 | -67.1 | 92.1 | 0 | 0 | 0 | 110.1 | T96 V102 V104 D143 I145 R159 V187 Y279 | W94-T96 PolarHBondContact O-N 3.27Å; W94-V102 HydrophobicContact CB-CG1 3.69Å; W94-V104 HydrophobicContact CB-CG2 4.3Å; W94-V104 HydrophobicContact CD2-CB 4.47Å; W94-V104 HydrophobicContact CD2-CG1 4.19Å; W94-V104 HydrophobicContact CD2-CG2 3.93Å; W94-V104 HydrophobicContact CE3-CG1 4.39Å; W94-V104 HydrophobicContact CE3-CG2 4.41Å; W94-V104 HydrophobicContact CG-CG2 3.83Å; W94-V104 HydrophobicContact CH2-CG1 4.26Å; W94-V104 HydrophobicContact CZ2-CG1 4.02Å; W94-V104 HydrophobicContact CZ3-CG1 4.43Å; W94-D143 HydrophobicContact CH2-CB 4.48Å; W94-D143 HydrophobicContact CZ3-CB 4.08Å; W94-I145 HydrophobicContact CH2-CG2 4.12Å; W94-I145 HydrophobicContact CZ2-CG2 3.81Å; W94-R159 HydrophobicContact CD2-CB 3.84Å; W94-R159 HydrophobicContact CD2-CG 3.98Å; W94-R159 HydrophobicContact CE3-CB 4.31Å; W94-R159 HydrophobicContact CE3-CG 3.93Å; W94-R159 HydrophobicContact CG-CB 4.11Å; W94-R159 HydrophobicContact CH2-CG 4.04Å; W94-R159 HydrophobicContact CZ2-CB 4.14Å; W94-R159 HydrophobicContact CZ2-CG 4.11Å; W94-R159 HydrophobicContact CZ3-CG 3.96Å; W94-V187 HydrophobicContact CZ2-CG1 4.13Å; W94-V187 PolarHBondContact NE1-O 3.49Å; W94-Y279 HydrophobicContact CB-CE1 4.14Å |
| 95 | P | 93.2 | Very high | 80.4 | Confident | 82 Ų | 82 | 65 Ų | 65 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 132.3 | -178.7 | 28.4 | -33.8 | 0 | 0 | 0 | 111 | ||
| 96 | T | 90.1 | Very high | 82 | Confident | 70 Ų | 70 | 62.8 Ų | 62.8 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 117.7 | 167 | -49.7 | 0 | 0 | 0 | 0 | 108.7 | W94 V101 V102 | W94-T96 PolarHBondContact O-N 3.27Å; T96-V101 CarbonylContact C-O 3.58Å; T96-V101 WeakPolarHBondContact CA-O 3.39Å; T96-V102 HydrophobicContact CG2-CG2 4.15Å |
| 97 | G | 83.1 | Confident | 83.8 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 45% | 0.454 | 41% | 0.405 | S | S | . | . | trans | -81.1 | -173.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G100 V101 | G97-G100 PolarHBondContact O-N 2.9Å; G97-V101 PolarHBondContact N-O 2.98Å | ||
| 98 | G | 76.2 | Confident | 85.8 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 80% | 0.804 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -55.8 | 139.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G100 | G98-G100 VanDerWaalsContact C-N 3.28Å; G98-G100 PolarHBondContact O-N 3.36Å |
| 99 | G | 79.3 | Confident | 87.8 | Confident | 87 Ų | 87 | 51.9 Ų | 51.9 | 90% | 0.897 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | 77.3 | 3.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 100 | G | 86.9 | Confident | 89.9 | Confident | 20 Ų | 20 | 51.7 Ų | 51.7 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | 83.5 | 16.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G97 G98 C132 | G97-G100 PolarHBondContact O-N 2.9Å; G98-G100 VanDerWaalsContact C-N 3.28Å; G98-G100 PolarHBondContact O-N 3.36Å; G100-C132 WeakPolarHBondContact O-CB 3.31Å; G100-C132 PolarHBondContact O-SG 3.19Å |
| 101 | V | 92.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | trans | -84.6 | 143.7 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | T96 G97 E103 R134 | T96-V101 CarbonylContact C-O 3.58Å; T96-V101 WeakPolarHBondContact CA-O 3.39Å; G97-V101 PolarHBondContact N-O 2.98Å; V101-E103 HydrophobicContact CG1-CG 4.18Å; V101-R134 HydrophobicContact CG1-CB 4.1Å; V101-R134 HydrophobicContact CG1-CG 3.64Å | ||
| 102 | V | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 107.5 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | W94 T96 C132 V133 R134 Y279 | W94-V102 HydrophobicContact CB-CG1 3.69Å; T96-V102 HydrophobicContact CG2-CG2 4.15Å; V102-C132 PolarHBondContact N-O 2.98Å; V102-V133 HydrophobicContact CB-CG2 4.34Å; V102-V133 CarbonylContact O-C 3.54Å; V102-V133 WeakPolarHBondContact O-CA 3.42Å; V102-R134 PolarHBondContact O-N 3.16Å; V102-Y279 HydrophobicContact CB-CD1 4.22Å; V102-Y279 HydrophobicContact CG1-CD1 3.8Å; V102-Y279 HydrophobicContact CG1-CE1 3.68Å; V102-Y279 HydrophobicContact CG1-CG 4.48Å; V102-Y279 HydrophobicContact CG2-CD1 3.42Å; V102-Y279 VanDerWaalsContact CG2-CD1 3.42Å; V102-Y279 HydrophobicContact CG2-CE1 4.19Å; V102-Y279 HydrophobicContact CG2-CG 3.77Å |
| 103 | E | 96.3 | Very high | 93.2 | Very high | 104 Ų | 104 | 54.4 Ų | 54.4 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.1 | 179 | -64.7 | -173.7 | 162.1 | 0 | 0 | 110.8 | V101 R134 V136 | V101-E103 HydrophobicContact CG1-CG 4.18Å; E103-R134 WeakPolarHBondContact CA-O 3.37Å; E103-V136 HydrophobicContact CB-CG1 4.48Å; E103-V136 HydrophobicContact CB-CG2 4.24Å; E103-V136 HydrophobicContact CG-CG1 4.2Å |
| 104 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 97.4 | 172.4 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | W94 V133 R134 F135 V136 I145 V187 L188 | W94-V104 HydrophobicContact CB-CG2 4.3Å; W94-V104 HydrophobicContact CD2-CB 4.47Å; W94-V104 HydrophobicContact CD2-CG1 4.19Å; W94-V104 HydrophobicContact CD2-CG2 3.93Å; W94-V104 HydrophobicContact CE3-CG1 4.39Å; W94-V104 HydrophobicContact CE3-CG2 4.41Å; W94-V104 HydrophobicContact CG-CG2 3.83Å; W94-V104 HydrophobicContact CH2-CG1 4.26Å; W94-V104 HydrophobicContact CZ2-CG1 4.02Å; W94-V104 HydrophobicContact CZ3-CG1 4.43Å; V104-V133 HydrophobicContact CG2-CG1 4.05Å; V104-R134 PolarHBondContact N-O 2.99Å; V104-F135 HydrophobicContact CB-CD1 3.76Å; V104-F135 HydrophobicContact CB-CE1 3.74Å; V104-F135 HydrophobicContact CG1-CD1 3.94Å; V104-F135 HydrophobicContact CG1-CE1 3.68Å; V104-F135 HydrophobicContact CG2-CE1 4.33Å; V104-F135 WeakPolarHBondContact O-CA 3.5Å; V104-V136 PolarHBondContact O-N 2.75Å; V104-I145 HydrophobicContact CG1-CD1 4.21Å; V104-I145 HydrophobicContact CG1-CG1 4.44Å; V104-I145 HydrophobicContact CG1-CG2 4.17Å; V104-V187 HydrophobicContact CG1-CG1 4.05Å; V104-L188 HydrophobicContact CG2-CD2 4.1Å |
| 105 | P | 98 | Very high | 93.3 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 135 | 178.9 | -20.3 | 33.2 | 0 | 0 | 0 | 110.9 | V136 Q141 F144 I145 | P105-V136 CarbonylContact C-O 3.46Å; P105-V136 VanDerWaalsContact CA-O 3.27Å; P105-V136 WeakPolarHBondContact CA-O 3.15Å; P105-V136 HydrophobicContact CB-CG2 4.05Å; P105-V136 HydrophobicContact CG-CG2 3.98Å; P105-Q141 HydrophobicContact CB-CB 4.19Å; P105-Q141 HydrophobicContact CB-CG 4.15Å; P105-Q141 HydrophobicContact CG-CB 3.79Å; P105-Q141 HydrophobicContact CG-CG 3.68Å; P105-F144 HydrophobicContact CB-CB 3.87Å; P105-F144 CarbonylContact O-C 3.58Å; P105-F144 VanDerWaalsContact O-CA 3.32Å; P105-F144 WeakPolarHBondContact O-CA 3.22Å; P105-F144 WeakPolarHBondContact O-CB 3.37Å; P105-I145 PolarHBondContact O-N 3.38Å |
| 106 | F | 98.4 | Very high | 93.4 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 4% | 0.044 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.7 | 179.7 | 78.7 | -84.8 | 0 | 0 | 0 | 113.1 | L108 L121 L124 F135 V136 T137 Y138 I145 I147 | F106-L108 HydrophobicContact CD2-CB 4.16Å; F106-L108 HydrophobicContact CE2-CB 4.04Å; F106-L121 HydrophobicContact CE2-CD2 4.38Å; F106-L121 HydrophobicContact CZ-CD2 4.28Å; F106-L124 HydrophobicContact CD1-CD1 4.14Å; F106-L124 HydrophobicContact CD2-CD1 4.29Å; F106-L124 HydrophobicContact CE1-CD1 3.8Å; F106-L124 HydrophobicContact CE2-CD1 3.96Å; F106-L124 HydrophobicContact CG-CD1 4.38Å; F106-L124 HydrophobicContact CZ-CD1 3.7Å; F106-F135 HydrophobicContact CD1-CB 3.91Å; F106-F135 HydrophobicContact CE1-CB 4.09Å; F106-F135 WeakPolarHBondContact CE1-O 3.37Å; F106-V136 WeakPolarHBondContact CD1-O 3.25Å; F106-V136 PolarHBondContact N-O 2.78Å; F106-T137 HydrophobicContact CE1-CG2 4.4Å; F106-T137 HydrophobicContact CZ-CG2 4.23Å; F106-Y138 WeakPolarHBondContact O-CB 3.36Å; F106-Y138 PolarHBondContact O-N 3.13Å; F106-I145 CarbonylContact C-O 3.57Å; F106-I145 WeakPolarHBondContact CA-O 3.48Å; F106-I145 HydrophobicContact CB-CD1 3.98Å; F106-I145 HydrophobicContact CB-CG1 3.51Å; F106-I147 HydrophobicContact CB-CD1 4.29Å; F106-I147 HydrophobicContact CD2-CD1 4.2Å |
| 107 | L | 98 | Very high | 93.8 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.8 | 165.7 | -176.6 | 67.4 | 0 | 0 | 0 | 108.3 | F144 I145 I147 | L107-F144 HydrophobicContact CB-CD2 4.34Å; L107-F144 HydrophobicContact CB-CE2 4.3Å; L107-F144 HydrophobicContact CD2-CE2 4.48Å; L107-I145 PolarHBondContact N-O 3Å; L107-I147 PolarHBondContact O-N 2.96Å |
| 108 | L | 98 | Very high | 94.4 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.5 | 179.1 | -177.2 | 60.1 | 0 | 0 | 0 | 110.3 | F106 Y112 R117 I120 L121 I147 | F106-L108 HydrophobicContact CD2-CB 4.16Å; F106-L108 HydrophobicContact CE2-CB 4.04Å; L108-Y112 HydrophobicContact CD1-CD2 3.56Å; L108-Y112 HydrophobicContact CD1-CE2 3.67Å; L108-Y112 HydrophobicContact CG-CD2 4.26Å; L108-R117 HydrophobicContact CD2-CG 4.19Å; L108-I120 HydrophobicContact CD1-CD1 3.87Å; L108-I120 HydrophobicContact CD1-CG2 4.1Å; L108-L121 HydrophobicContact CD2-CD2 4.22Å; L108-I147 HydrophobicContact CD1-CB 4.01Å; L108-I147 HydrophobicContact CD1-CG2 3.96Å |
| 109 | S | 97.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | trans | -56.1 | 140.5 | -177 | -160.4 | 0 | 0 | 0 | 0 | 113.2 | K111 R117 I147 | S109-K111 PolarHBondContact O-N 3.4Å; S109-K111 PolarHBondContact OG-N 3.31Å; S109-R117 PolarHBondContact O-NH2 3.23Å; S109-I147 WeakPolarHBondContact CB-O 3.22Å; S109-I147 PolarHBondContact N-O 2.88Å | ||
| 110 | S | 96.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 49.1 Ų | 49.1 | 76% | 0.755 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24 | 168 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | Y112 R117 | S110-Y112 VanDerWaalsContact C-N 3.31Å; S110-Y112 PolarHBondContact O-N 3Å; S110-R117 VanDerWaalsContact CA-NH2 3.33Å; S110-R117 PolarHBondContact O-NH2 3.16Å |
| 111 | K | 97.6 | Very high | 96.8 | Very high | 170 Ų | 170 | 48.2 Ų | 48.2 | 74% | 0.739 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11.6 | -174.8 | -64.2 | -175.9 | 176.6 | -175.8 | 0 | 115.9 | S109 P149 | S109-K111 PolarHBondContact O-N 3.4Å; S109-K111 PolarHBondContact OG-N 3.31Å; K111-P149 HydrophobicContact CB-CG 3.77Å; K111-P149 HydrophobicContact CD-CG 4.39Å |
| 112 | Y | 97.4 | Very high | 97 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -78.6 | 132.7 | 174.8 | -69.3 | -68.2 | 0 | 0 | 0 | 111.1 | L108 S110 R117 I120 I147 I148 P149 L168 L173 | L108-Y112 HydrophobicContact CD1-CD2 3.56Å; L108-Y112 HydrophobicContact CD1-CE2 3.67Å; L108-Y112 HydrophobicContact CG-CD2 4.26Å; S110-Y112 VanDerWaalsContact C-N 3.31Å; S110-Y112 PolarHBondContact O-N 3Å; Y112-R117 PolarHBondContact O-NE 2.84Å; Y112-I120 HydrophobicContact CD1-CD1 4.13Å; Y112-I120 HydrophobicContact CD2-CD1 4.06Å; Y112-I120 HydrophobicContact CE1-CD1 3.89Å; Y112-I120 HydrophobicContact CE2-CD1 3.81Å; Y112-I120 HydrophobicContact CG-CD1 4.2Å; Y112-I147 HydrophobicContact CE2-CG2 4.1Å; Y112-I147 WeakPolarHBondContact CE2-O 3.32Å; Y112-I148 PolarHBondContact OH-N 3.08Å; Y112-I148 PolarHBondContact OH-O 3.03Å; Y112-P149 HydrophobicContact CD1-CB 4.32Å; Y112-P149 HydrophobicContact CD1-CG 4.42Å; Y112-P149 HydrophobicContact CE1-CB 3.69Å; Y112-P149 HydrophobicContact CE1-CG 4.09Å; Y112-L168 WeakPolarHBondContact CE1-O 3.49Å; Y112-L168 WeakPolarHBondContact OH-CB 3.29Å; Y112-L168 PolarHBondContact OH-O 3.32Å; Y112-L168 VanDerWaalsContact OH-O 3.05Å; Y112-L173 HydrophobicContact CD1-CD1 4.05Å; Y112-L173 HydrophobicContact CE1-CD1 3.85Å |
| 113 | D | 95.6 | Very high | 97.1 | Very high | 86 Ų | 86 | 49.1 Ų | 49.1 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | trans | -63.7 | 169.2 | 163.5 | 63.7 | 76.8 | 0 | 0 | 0 | 111.8 | L115 S116 R117 | D113-L115 PolarHBondContact O-N 3.32Å; D113-L115 PolarHBondContact OD1-N 3.32Å; D113-L115 VanDerWaalsContact OD1-N 3.09Å; D113-S116 VanDerWaalsContact CG-OG 3.27Å; D113-S116 PolarHBondContact O-N 3.39Å; D113-S116 WeakPolarHBondContact OD1-CB 3.28Å; D113-S116 PolarHBondContact OD1-N 3.15Å; D113-S116 PolarHBondContact OD1-OG 3.49Å; D113-S116 WeakPolarHBondContact OD2-CB 3.2Å; D113-S116 PolarHBondContact OD2-OG 2.75Å; D113-R117 VanDerWaalsContact O-CG 3.23Å; D113-R117 WeakPolarHBondContact O-CG 3.28Å; D113-R117 PolarHBondContact O-N 3.35Å | ||
| 114 | E | 94.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 44.1 Ų | 44.1 | 29% | 0.285 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.1 | -41.5 | -176.1 | 177.6 | 147 | -120.1 | 0 | 0 | 113.9 | R117 Q118 L316 E319 | E114-R117 WeakPolarHBondContact O-CB 3.48Å; E114-R117 PolarHBondContact O-N 2.78Å; E114-Q118 WeakPolarHBondContact O-CB 3.01Å; E114-Q118 PolarHBondContact O-N 3.5Å; E114-L316 HydrophobicContact CG-CB 4.45Å; E114-L316 HydrophobicContact CG-CD2 4.19Å; E114-L316 VanDerWaalsContact OE1-CA 3.27Å; E114-L316 WeakPolarHBondContact OE1-CA 3.5Å; E114-L316 WeakPolarHBondContact OE1-CB 3.16Å; E114-L316 VanDerWaalsContact OE1-CD2 3.3Å; E114-L316 WeakPolarHBondContact OE1-CD2 3.5Å; E114-E319 WeakPolarHBondContact OE1-CB 3.08Å |
| 115 | L | 94.8 | Very high | 97.1 | Very high | 138 Ų | 138 | 45 Ų | 45 | 72% | 0.723 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.6 | -43.7 | 179.1 | -62.2 | 177 | 0 | 0 | 0 | 110.8 | D113 R117 Q118 V119 | D113-L115 PolarHBondContact O-N 3.32Å; D113-L115 PolarHBondContact OD1-N 3.32Å; D113-L115 VanDerWaalsContact OD1-N 3.09Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.73Å; L115-Q118 PolarHBondContact O-N 3.46Å; L115-V119 WeakPolarHBondContact O-CG2 3.48Å; L115-V119 PolarHBondContact O-N 3.07Å |
| 116 | S | 96.6 | Very high | 97 | Very high | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 173.7 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | D113 I120 L173 | D113-S116 VanDerWaalsContact CG-OG 3.27Å; D113-S116 PolarHBondContact O-N 3.39Å; D113-S116 WeakPolarHBondContact OD1-CB 3.28Å; D113-S116 PolarHBondContact OD1-N 3.15Å; D113-S116 PolarHBondContact OD1-OG 3.49Å; D113-S116 WeakPolarHBondContact OD2-CB 3.2Å; D113-S116 PolarHBondContact OD2-OG 2.75Å; S116-I120 WeakPolarHBondContact O-CD1 3.41Å; S116-I120 VanDerWaalsContact O-CG1 3.3Å; S116-I120 WeakPolarHBondContact O-CG1 3.49Å; S116-I120 PolarHBondContact O-N 3.04Å; S116-I120 VanDerWaalsContact O-N 3.15Å; S116-L173 VanDerWaalsContact CB-CD1 3.49Å |
| 117 | R | 97.2 | Very high | 97 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 174.1 | -71.6 | 164.2 | 174.5 | -78.2 | -9.5 | 111.4 | L108 S109 S110 Y112 D113 E114 L115 V119 I120 L121 L316 | L108-R117 HydrophobicContact CD2-CG 4.19Å; S109-R117 PolarHBondContact O-NH2 3.23Å; S110-R117 VanDerWaalsContact CA-NH2 3.33Å; S110-R117 PolarHBondContact O-NH2 3.16Å; Y112-R117 PolarHBondContact O-NE 2.84Å; D113-R117 VanDerWaalsContact O-CG 3.23Å; D113-R117 WeakPolarHBondContact O-CG 3.28Å; D113-R117 PolarHBondContact O-N 3.35Å; E114-R117 WeakPolarHBondContact O-CB 3.48Å; E114-R117 PolarHBondContact O-N 2.78Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.73Å; R117-V119 VanDerWaalsContact C-N 3.35Å; R117-V119 PolarHBondContact O-N 3.15Å; R117-I120 PolarHBondContact O-N 3.17Å; R117-I120 VanDerWaalsContact O-N 3.14Å; R117-L121 VanDerWaalsContact O-CG 3.24Å; R117-L121 WeakPolarHBondContact O-CG 3.21Å; R117-L121 PolarHBondContact O-N 2.99Å; R117-L316 HydrophobicContact CB-CD1 3.74Å |
| 118 | Q | 96.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56 | -48.4 | -180 | 179.7 | 61.5 | 20.8 | 0 | 0 | 111.2 | E114 L115 I120 L121 E122 L316 | E114-Q118 WeakPolarHBondContact O-CB 3.01Å; E114-Q118 PolarHBondContact O-N 3.5Å; L115-Q118 PolarHBondContact O-N 3.46Å; Q118-I120 VanDerWaalsContact C-N 3.32Å; Q118-I120 PolarHBondContact O-N 2.82Å; Q118-L121 PolarHBondContact O-N 3.29Å; Q118-E122 PolarHBondContact NE2-OE1 3.08Å; Q118-E122 WeakPolarHBondContact O-CB 3.4Å; Q118-E122 WeakPolarHBondContact O-CG 3.27Å; Q118-E122 PolarHBondContact O-N 3.37Å; Q118-L316 HydrophobicContact CB-CD1 4.49Å |
| 119 | V | 97.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 17% | 0.17 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | L115 R117 A123 L173 R177 V180 | L115-V119 WeakPolarHBondContact O-CG2 3.48Å; L115-V119 PolarHBondContact O-N 3.07Å; R117-V119 VanDerWaalsContact C-N 3.35Å; R117-V119 PolarHBondContact O-N 3.15Å; V119-A123 PolarHBondContact O-N 2.96Å; V119-L173 HydrophobicContact CG1-CB 4.37Å; V119-L173 HydrophobicContact CG1-CD2 4.09Å; V119-R177 HydrophobicContact CG1-CB 4.23Å; V119-V180 HydrophobicContact CG1-CG2 4.22Å |
| 120 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -48 | 177.7 | -68.2 | 165.7 | 0 | 0 | 0 | 110.8 | L108 Y112 S116 R117 Q118 E122 A123 L124 I147 L168 L173 V180 | L108-I120 HydrophobicContact CD1-CD1 3.87Å; L108-I120 HydrophobicContact CD1-CG2 4.1Å; Y112-I120 HydrophobicContact CD1-CD1 4.13Å; Y112-I120 HydrophobicContact CD2-CD1 4.06Å; Y112-I120 HydrophobicContact CE1-CD1 3.89Å; Y112-I120 HydrophobicContact CE2-CD1 3.81Å; Y112-I120 HydrophobicContact CG-CD1 4.2Å; S116-I120 WeakPolarHBondContact O-CD1 3.41Å; S116-I120 VanDerWaalsContact O-CG1 3.3Å; S116-I120 WeakPolarHBondContact O-CG1 3.49Å; S116-I120 PolarHBondContact O-N 3.04Å; S116-I120 VanDerWaalsContact O-N 3.15Å; R117-I120 PolarHBondContact O-N 3.17Å; R117-I120 VanDerWaalsContact O-N 3.14Å; Q118-I120 VanDerWaalsContact C-N 3.32Å; Q118-I120 PolarHBondContact O-N 2.82Å; I120-E122 PolarHBondContact O-N 2.53Å; I120-A123 WeakPolarHBondContact O-CA 3.45Å; I120-A123 VanDerWaalsContact O-CB 3.24Å; I120-A123 WeakPolarHBondContact O-CB 3.22Å; I120-A123 PolarHBondContact O-N 2.86Å; I120-A123 VanDerWaalsContact O-N 3.08Å; I120-L124 WeakPolarHBondContact O-CG 3.36Å; I120-L124 PolarHBondContact O-N 3.34Å; I120-L124 VanDerWaalsContact O-N 3.11Å; I120-I147 HydrophobicContact CD1-CG2 4.13Å; I120-I147 HydrophobicContact CG2-CD1 4.1Å; I120-I147 HydrophobicContact CG2-CG2 4.41Å; I120-L168 HydrophobicContact CD1-CD1 4.16Å; I120-L168 HydrophobicContact CG1-CD1 4Å; I120-L173 HydrophobicContact CD1-CD1 4.01Å; I120-L173 HydrophobicContact CD1-CD2 4.38Å; I120-L173 HydrophobicContact CG1-CD1 4.28Å; I120-L173 HydrophobicContact CG1-CD2 3.89Å; I120-V180 HydrophobicContact CG1-CG1 4.49Å; I120-V180 HydrophobicContact CG1-CG2 4.37Å |
| 121 | L | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.6 | -34.2 | -176.1 | -62 | 169.8 | 0 | 0 | 0 | 112.4 | F106 L108 R117 Q118 A123 L124 A125 L309 L312 L313 L316 | F106-L121 HydrophobicContact CE2-CD2 4.38Å; F106-L121 HydrophobicContact CZ-CD2 4.28Å; L108-L121 HydrophobicContact CD2-CD2 4.22Å; R117-L121 VanDerWaalsContact O-CG 3.24Å; R117-L121 WeakPolarHBondContact O-CG 3.21Å; R117-L121 PolarHBondContact O-N 2.99Å; Q118-L121 PolarHBondContact O-N 3.29Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.28Å; L121-L124 HydrophobicContact CD2-CD1 3.93Å; L121-L124 PolarHBondContact O-N 3.42Å; L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 2.85Å; L121-L309 HydrophobicContact CB-CD1 4.07Å; L121-L309 HydrophobicContact CD2-CD1 3.67Å; L121-L309 HydrophobicContact CG-CD1 4.41Å; L121-L312 HydrophobicContact CD1-CB 4.25Å; L121-L312 HydrophobicContact CD1-CD2 3.82Å; L121-L312 HydrophobicContact CD1-CG 4.28Å; L121-L312 HydrophobicContact CD2-CD2 3.62Å; L121-L312 HydrophobicContact CG-CD2 4.38Å; L121-L313 HydrophobicContact CB-CD2 3.58Å; L121-L313 HydrophobicContact CB-CG 4.14Å; L121-L316 HydrophobicContact CD1-CD1 3.48Å; L121-L316 VanDerWaalsContact CD1-CD1 3.48Å |
| 122 | E | 96.4 | Very high | 96.3 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62 | -35.3 | 169.5 | -76.5 | -175.3 | -157.7 | 0 | 0 | 112.8 | Q118 I120 A125 E126 R177 L313 | Q118-E122 PolarHBondContact NE2-OE1 3.08Å; Q118-E122 WeakPolarHBondContact O-CB 3.4Å; Q118-E122 WeakPolarHBondContact O-CG 3.27Å; Q118-E122 PolarHBondContact O-N 3.37Å; I120-E122 PolarHBondContact O-N 2.53Å; E122-A125 PolarHBondContact O-N 3.49Å; E122-E126 PolarHBondContact O-N 3.37Å; E122-E126 VanDerWaalsContact O-N 3.1Å; E122-R177 IonicContact OE2-NH1 3.59Å; E122-R177 PolarHBondContact OE2-NH1 3.14Å; E122-R177 VanDerWaalsContact OE2-NH1 3.12Å; E122-L313 HydrophobicContact CG-CD2 4.37Å |
| 123 | A | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V119 I120 L121 A125 E126 F127 R177 V180 L181 L184 | V119-A123 PolarHBondContact O-N 2.96Å; I120-A123 WeakPolarHBondContact O-CA 3.45Å; I120-A123 VanDerWaalsContact O-CB 3.24Å; I120-A123 WeakPolarHBondContact O-CB 3.22Å; I120-A123 PolarHBondContact O-N 2.86Å; I120-A123 VanDerWaalsContact O-N 3.08Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.28Å; A123-A125 VanDerWaalsContact C-N 3.33Å; A123-A125 PolarHBondContact O-N 3.27Å; A123-E126 PolarHBondContact O-N 3.18Å; A123-F127 WeakPolarHBondContact O-CD2 3.13Å; A123-R177 HydrophobicContact CB-CB 3.99Å; A123-V180 HydrophobicContact CB-CB 3.57Å; A123-V180 HydrophobicContact CB-CG1 3.38Å; A123-L181 HydrophobicContact CB-CD2 3.95Å; A123-L181 HydrophobicContact CB-CG 4.18Å; A123-L181 WeakPolarHBondContact O-CD2 3.39Å; A123-L184 HydrophobicContact CB-CD1 4.06Å |
| 124 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | 173.9 | -54.5 | -179.7 | 0 | 0 | 0 | 110.4 | F106 I120 L121 E126 F127 E128 F135 L184 L309 | F106-L124 HydrophobicContact CD1-CD1 4.14Å; F106-L124 HydrophobicContact CD2-CD1 4.29Å; F106-L124 HydrophobicContact CE1-CD1 3.8Å; F106-L124 HydrophobicContact CE2-CD1 3.96Å; F106-L124 HydrophobicContact CG-CD1 4.38Å; F106-L124 HydrophobicContact CZ-CD1 3.7Å; I120-L124 WeakPolarHBondContact O-CG 3.36Å; I120-L124 PolarHBondContact O-N 3.34Å; I120-L124 VanDerWaalsContact O-N 3.11Å; L121-L124 HydrophobicContact CD2-CD1 3.93Å; L121-L124 PolarHBondContact O-N 3.42Å; L124-E126 VanDerWaalsContact C-N 3.32Å; L124-E126 PolarHBondContact O-N 3.47Å; L124-F127 PolarHBondContact O-N 2.75Å; L124-E128 WeakPolarHBondContact O-CG 3.46Å; L124-E128 PolarHBondContact O-N 2.96Å; L124-F135 HydrophobicContact CB-CB 4.02Å; L124-F135 HydrophobicContact CB-CD2 3.78Å; L124-F135 HydrophobicContact CB-CG 4.04Å; L124-F135 HydrophobicContact CD1-CB 4.04Å; L124-F135 HydrophobicContact CD1-CG 4.45Å; L124-F135 HydrophobicContact CD2-CB 4.04Å; L124-F135 HydrophobicContact CD2-CD1 3.68Å; L124-F135 HydrophobicContact CD2-CD2 3.73Å; L124-F135 HydrophobicContact CD2-CE1 3.99Å; L124-F135 HydrophobicContact CD2-CE2 4.03Å; L124-F135 HydrophobicContact CD2-CG 3.54Å; L124-F135 HydrophobicContact CD2-CZ 4.16Å; L124-F135 HydrophobicContact CG-CB 4.24Å; L124-F135 HydrophobicContact CG-CD2 4.29Å; L124-F135 HydrophobicContact CG-CG 4.19Å; L124-L184 HydrophobicContact CD2-CD1 3.66Å; L124-L184 HydrophobicContact CD2-CD2 4.05Å; L124-L309 HydrophobicContact CB-CD1 4.29Å; L124-L309 HydrophobicContact CB-CD2 3.73Å; L124-L309 HydrophobicContact CD1-CD1 4.13Å |
| 125 | A | 96.3 | Very high | 96.4 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 16% | 0.157 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -30.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L121 E122 A123 F127 E128 R129 A305 L309 L313 | L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 2.85Å; E122-A125 PolarHBondContact O-N 3.49Å; A123-A125 VanDerWaalsContact C-N 3.33Å; A123-A125 PolarHBondContact O-N 3.27Å; A125-F127 VanDerWaalsContact C-N 3.35Å; A125-F127 PolarHBondContact O-N 2.87Å; A125-E128 PolarHBondContact O-N 3.11Å; A125-R129 WeakPolarHBondContact O-CB 3.39Å; A125-R129 PolarHBondContact O-N 3.45Å; A125-A305 HydrophobicContact CB-CB 4.35Å; A125-L309 HydrophobicContact CB-CD2 3.83Å; A125-L313 HydrophobicContact CB-CD1 4.17Å |
| 126 | E | 96.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 173.7 | -176.8 | 65.2 | -99.6 | 0 | 0 | 111.8 | E122 A123 L124 R129 S130 R177 L181 N266 L267 | E122-E126 PolarHBondContact O-N 3.37Å; E122-E126 VanDerWaalsContact O-N 3.1Å; A123-E126 PolarHBondContact O-N 3.18Å; L124-E126 VanDerWaalsContact C-N 3.32Å; L124-E126 PolarHBondContact O-N 3.47Å; E126-R129 IonicContact OE1-CZ 3.94Å; E126-R129 IonicContact OE1-NE 3.65Å; E126-R129 IonicContact OE1-NH2 3.6Å; E126-R129 PolarHBondContact OE1-NH2 3.11Å; E126-R129 IonicContact OE2-CZ 3.5Å; E126-R129 IonicContact OE2-NH2 2.68Å; E126-R129 PolarHBondContact OE2-NH2 2.92Å; E126-S130 VanDerWaalsContact O-CB 3.25Å; E126-S130 WeakPolarHBondContact O-CB 3.48Å; E126-S130 PolarHBondContact O-N 3.47Å; E126-S130 VanDerWaalsContact O-N 3.16Å; E126-S130 PolarHBondContact O-OG 3.12Å; E126-S130 VanDerWaalsContact O-OG 3.11Å; E126-S130 PolarHBondContact OE1-OG 2.86Å; E126-R177 IonicContact OE2-CZ 3.61Å; E126-R177 IonicContact OE2-NE 2.8Å; E126-R177 IonicContact OE2-NH2 3.87Å; E126-R177 PolarHBondContact OE2-NH2 3.37Å; E126-L181 HydrophobicContact CB-CD2 3.87Å; E126-L181 HydrophobicContact CG-CD1 4.4Å; E126-L181 HydrophobicContact CG-CD2 3.98Å; E126-N266 PolarHBondContact OE2-ND2 3.36Å; E126-N266 VanDerWaalsContact OE2-ND2 3.11Å; E126-N266 PolarHBondContact OE2-OD1 2.86Å; E126-L267 HydrophobicContact CG-CD1 4.18Å |
| 127 | F | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.2 | -40.6 | 174.1 | -73.1 | -82.3 | 0 | 0 | 0 | 112.1 | A123 L124 A125 R129 S130 T131 F135 L181 L184 M185 L188 L267 V275 | A123-F127 WeakPolarHBondContact O-CD2 3.13Å; L124-F127 PolarHBondContact O-N 2.75Å; A125-F127 VanDerWaalsContact C-N 3.35Å; A125-F127 PolarHBondContact O-N 2.87Å; F127-R129 VanDerWaalsContact C-N 3.33Å; F127-R129 PolarHBondContact O-N 3.1Å; F127-S130 PolarHBondContact O-N 3.44Å; F127-T131 WeakPolarHBondContact O-CA 3.24Å; F127-T131 WeakPolarHBondContact O-CB 3.49Å; F127-T131 PolarHBondContact O-N 3.35Å; F127-T131 PolarHBondContact O-OG1 3.49Å; F127-F135 HydrophobicContact CB-CD2 4.46Å; F127-F135 HydrophobicContact CB-CE2 3.83Å; F127-F135 AromaticContact CD2-CE2 3.82Å; F127-F135 HydrophobicContact CD2-CE2 3.82Å; F127-F135 HydrophobicContact CD2-CZ 4.39Å; F127-F135 AromaticContact CG-CE2 3.98Å; F127-F135 HydrophobicContact CG-CE2 3.98Å; F127-L181 HydrophobicContact CD2-CD2 4.01Å; F127-L181 HydrophobicContact CE2-CD2 3.57Å; F127-L181 HydrophobicContact CZ-CD2 4.32Å; F127-L184 HydrophobicContact CD2-CB 4.34Å; F127-L184 HydrophobicContact CD2-CD1 4.16Å; F127-L184 HydrophobicContact CE2-CB 3.46Å; F127-L184 VanDerWaalsContact CE2-CB 3.46Å; F127-L184 HydrophobicContact CE2-CD1 3.82Å; F127-L184 HydrophobicContact CE2-CG 4.32Å; F127-L184 HydrophobicContact CZ-CB 3.84Å; F127-M185 HydrophobicContact CE1-CG 4.31Å; F127-M185 HydrophobicContact CE1-SD 4.05Å; F127-M185 HydrophobicContact CZ-CG 4.03Å; F127-M185 HydrophobicContact CZ-SD 4.38Å; F127-L188 HydrophobicContact CD1-CD1 3.7Å; F127-L188 HydrophobicContact CE1-CD1 3.49Å; F127-L188 VanDerWaalsContact CE1-CD1 3.49Å; F127-L188 HydrophobicContact CZ-CD1 4.2Å; F127-L267 HydrophobicContact CD1-CD1 3.99Å; F127-L267 HydrophobicContact CE1-CD1 3.72Å; F127-L267 HydrophobicContact CE1-CD2 4.2Å; F127-L267 HydrophobicContact CE2-CD1 4.46Å; F127-L267 HydrophobicContact CG-CD1 4.47Å; F127-L267 HydrophobicContact CZ-CD1 3.99Å; F127-L267 HydrophobicContact CZ-CD2 3.97Å; F127-L267 HydrophobicContact CZ-CG 4.47Å; F127-V275 HydrophobicContact CE1-CG2 4.27Å |
| 128 | E | 94.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | -178.9 | -55.6 | -153.4 | 136.4 | 0 | 0 | 112.1 | L124 A125 V133 R134 F135 S306 L309 | L124-E128 WeakPolarHBondContact O-CG 3.46Å; L124-E128 PolarHBondContact O-N 2.96Å; A125-E128 PolarHBondContact O-N 3.11Å; E128-V133 WeakPolarHBondContact CA-O 3.3Å; E128-R134 PolarHBondContact O-NH1 2.98Å; E128-R134 PolarHBondContact O-NH2 2.85Å; E128-R134 WeakPolarHBondContact OE1-CA 3.27Å; E128-R134 VanDerWaalsContact OE1-CD 3.3Å; E128-R134 WeakPolarHBondContact OE1-CD 3.47Å; E128-F135 PolarHBondContact OE1-N 3.29Å; E128-S306 PolarHBondContact OE1-OG 3.29Å; E128-S306 VanDerWaalsContact OE2-CB 3.27Å; E128-S306 WeakPolarHBondContact OE2-CB 3.5Å; E128-S306 PolarHBondContact OE2-N 3.07Å; E128-S306 PolarHBondContact OE2-OG 3.08Å; E128-L309 HydrophobicContact CG-CD2 4.16Å; E128-L309 WeakPolarHBondContact OE2-CD2 3.49Å |
| 129 | R | 93.9 | Very high | 96.3 | Very high | 116 Ų | 116 | 32.3 Ų | 32.3 | 44% | 0.438 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.5 | -35.7 | 176.6 | -175.6 | 177.6 | 68 | -169.1 | 4 | 112.9 | A125 E126 F127 P302 | A125-R129 WeakPolarHBondContact O-CB 3.39Å; A125-R129 PolarHBondContact O-N 3.45Å; E126-R129 IonicContact OE1-CZ 3.94Å; E126-R129 IonicContact OE1-NE 3.65Å; E126-R129 IonicContact OE1-NH2 3.6Å; E126-R129 PolarHBondContact OE1-NH2 3.11Å; E126-R129 IonicContact OE2-CZ 3.5Å; E126-R129 IonicContact OE2-NH2 2.68Å; E126-R129 PolarHBondContact OE2-NH2 2.92Å; F127-R129 VanDerWaalsContact C-N 3.33Å; F127-R129 PolarHBondContact O-N 3.1Å; R129-P302 HydrophobicContact CG-CB 4.42Å |
| 130 | S | 93.8 | Very high | 96.2 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 22% | 0.224 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -104 | -12.8 | -168.3 | -59.9 | 0 | 0 | 0 | 0 | 114.4 | E126 F127 I272 | E126-S130 VanDerWaalsContact O-CB 3.25Å; E126-S130 WeakPolarHBondContact O-CB 3.48Å; E126-S130 PolarHBondContact O-N 3.47Å; E126-S130 VanDerWaalsContact O-N 3.16Å; E126-S130 PolarHBondContact O-OG 3.12Å; E126-S130 VanDerWaalsContact O-OG 3.11Å; E126-S130 PolarHBondContact OE1-OG 2.86Å; F127-S130 PolarHBondContact O-N 3.44Å; S130-I272 WeakPolarHBondContact O-CG2 3.33Å |
| 131 | T | 95.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -142.9 | 179.6 | -172.9 | 79.1 | 0 | 0 | 0 | 0 | 112.8 | F127 V133 R134 I272 V275 | F127-T131 WeakPolarHBondContact O-CA 3.24Å; F127-T131 WeakPolarHBondContact O-CB 3.49Å; F127-T131 PolarHBondContact O-N 3.35Å; F127-T131 PolarHBondContact O-OG1 3.49Å; T131-V133 VanDerWaalsContact C-N 3.33Å; T131-V133 WeakPolarHBondContact OG1-CB 3.49Å; T131-V133 PolarHBondContact OG1-N 2.69Å; T131-R134 PolarHBondContact O-NH1 3.29Å; T131-I272 HydrophobicContact CG2-CG2 4.29Å; T131-V275 HydrophobicContact CG2-CB 3.98Å; T131-V275 HydrophobicContact CG2-CG1 3.76Å |
| 132 | C | 95.4 | Very high | 96 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 12% | 0.122 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -86.2 | 2.6 | 170.1 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | G100 V102 C281 | G100-C132 WeakPolarHBondContact O-CB 3.31Å; G100-C132 PolarHBondContact O-SG 3.19Å; V102-C132 PolarHBondContact N-O 2.98Å; C132-C281 HydrophobicContact CB-CB 3.62Å; C132-C281 WeakPolarHBondContact CB-SG 3.47Å; C132-C281 PolarHBondContact N-SG 2.92Å; C132-C281 WeakPolarHBondContact SG-CA 3.16Å; C132-C281 WeakPolarHBondContact SG-CB 3.28Å; C132-C281 CovalentContact SG-SG 2.03Å; C132-C281 PolarHBondContact SG-SG 3.2Å |
| 133 | V | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 135.7 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | V102 V104 E128 T131 F135 L188 V275 | V102-V133 HydrophobicContact CB-CG2 4.34Å; V102-V133 CarbonylContact O-C 3.54Å; V102-V133 WeakPolarHBondContact O-CA 3.42Å; V104-V133 HydrophobicContact CG2-CG1 4.05Å; E128-V133 WeakPolarHBondContact CA-O 3.3Å; T131-V133 VanDerWaalsContact C-N 3.33Å; T131-V133 WeakPolarHBondContact OG1-CB 3.49Å; T131-V133 PolarHBondContact OG1-N 2.69Å; V133-F135 HydrophobicContact CG1-CD2 4.31Å; V133-F135 HydrophobicContact CG1-CE2 3.89Å; V133-F135 HydrophobicContact CG1-CZ 4.12Å; V133-L188 HydrophobicContact CG1-CD2 3.92Å; V133-L188 HydrophobicContact CG2-CD1 4.09Å; V133-L188 HydrophobicContact CG2-CD2 3.77Å; V133-V275 HydrophobicContact CG2-CG1 3.75Å |
| 134 | R | 96.3 | Very high | 96 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 23% | 0.226 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.1 | 174.2 | -65.2 | -63.3 | 177.5 | -90.1 | 15.8 | 110.1 | V101 V102 E103 V104 E128 T131 V136 | V101-R134 HydrophobicContact CG1-CB 4.1Å; V101-R134 HydrophobicContact CG1-CG 3.64Å; V102-R134 PolarHBondContact O-N 3.16Å; E103-R134 WeakPolarHBondContact CA-O 3.37Å; V104-R134 PolarHBondContact N-O 2.99Å; E128-R134 PolarHBondContact O-NH1 2.98Å; E128-R134 PolarHBondContact O-NH2 2.85Å; E128-R134 WeakPolarHBondContact OE1-CA 3.27Å; E128-R134 VanDerWaalsContact OE1-CD 3.3Å; E128-R134 WeakPolarHBondContact OE1-CD 3.47Å; T131-R134 PolarHBondContact O-NH1 3.29Å; R134-V136 HydrophobicContact CB-CG1 4.5Å |
| 135 | F | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 103.8 | 178.2 | -73.7 | -77.9 | 0 | 0 | 0 | 108.3 | V104 F106 L124 F127 E128 V133 I145 L184 | V104-F135 HydrophobicContact CB-CD1 3.76Å; V104-F135 HydrophobicContact CB-CE1 3.74Å; V104-F135 HydrophobicContact CG1-CD1 3.94Å; V104-F135 HydrophobicContact CG1-CE1 3.68Å; V104-F135 HydrophobicContact CG2-CE1 4.33Å; V104-F135 WeakPolarHBondContact O-CA 3.5Å; F106-F135 HydrophobicContact CD1-CB 3.91Å; F106-F135 HydrophobicContact CE1-CB 4.09Å; F106-F135 WeakPolarHBondContact CE1-O 3.37Å; L124-F135 HydrophobicContact CB-CB 4.02Å; L124-F135 HydrophobicContact CB-CD2 3.78Å; L124-F135 HydrophobicContact CB-CG 4.04Å; L124-F135 HydrophobicContact CD1-CB 4.04Å; L124-F135 HydrophobicContact CD1-CG 4.45Å; L124-F135 HydrophobicContact CD2-CB 4.04Å; L124-F135 HydrophobicContact CD2-CD1 3.68Å; L124-F135 HydrophobicContact CD2-CD2 3.73Å; L124-F135 HydrophobicContact CD2-CE1 3.99Å; L124-F135 HydrophobicContact CD2-CE2 4.03Å; L124-F135 HydrophobicContact CD2-CG 3.54Å; L124-F135 HydrophobicContact CD2-CZ 4.16Å; L124-F135 HydrophobicContact CG-CB 4.24Å; L124-F135 HydrophobicContact CG-CD2 4.29Å; L124-F135 HydrophobicContact CG-CG 4.19Å; F127-F135 HydrophobicContact CB-CD2 4.46Å; F127-F135 HydrophobicContact CB-CE2 3.83Å; F127-F135 AromaticContact CD2-CE2 3.82Å; F127-F135 HydrophobicContact CD2-CE2 3.82Å; F127-F135 HydrophobicContact CD2-CZ 4.39Å; F127-F135 AromaticContact CG-CE2 3.98Å; F127-F135 HydrophobicContact CG-CE2 3.98Å; E128-F135 PolarHBondContact OE1-N 3.29Å; V133-F135 HydrophobicContact CG1-CD2 4.31Å; V133-F135 HydrophobicContact CG1-CE2 3.89Å; V133-F135 HydrophobicContact CG1-CZ 4.12Å; F135-I145 HydrophobicContact CD1-CD1 4.43Å; F135-I145 HydrophobicContact CE1-CD1 4.15Å; F135-L184 HydrophobicContact CE1-CD2 3.81Å; F135-L184 HydrophobicContact CE2-CD1 4.49Å; F135-L184 HydrophobicContact CZ-CB 4.36Å; F135-L184 HydrophobicContact CZ-CD1 4.24Å; F135-L184 HydrophobicContact CZ-CD2 3.8Å; F135-L184 HydrophobicContact CZ-CG 4.35Å |
| 136 | V | 95.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 146.3 | -175.1 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | E103 V104 P105 F106 R134 Y138 | E103-V136 HydrophobicContact CB-CG1 4.48Å; E103-V136 HydrophobicContact CB-CG2 4.24Å; E103-V136 HydrophobicContact CG-CG1 4.2Å; V104-V136 PolarHBondContact O-N 2.75Å; P105-V136 CarbonylContact C-O 3.46Å; P105-V136 VanDerWaalsContact CA-O 3.27Å; P105-V136 WeakPolarHBondContact CA-O 3.15Å; P105-V136 HydrophobicContact CB-CG2 4.05Å; P105-V136 HydrophobicContact CG-CG2 3.98Å; F106-V136 WeakPolarHBondContact CD1-O 3.25Å; F106-V136 PolarHBondContact N-O 2.78Å; R134-V136 HydrophobicContact CB-CG1 4.5Å; V136-Y138 PolarHBondContact O-N 3.34Å |
| 137 | T | 96.3 | Very high | 96.2 | Very high | 50 Ų | 50 | 44 Ų | 44 | 31% | 0.307 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 139.6 | 175.5 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | F106 Q139 | F106-T137 HydrophobicContact CE1-CG2 4.4Å; F106-T137 HydrophobicContact CZ-CG2 4.23Å; T137-Q139 PolarHBondContact O-N 3.26Å; T137-Q139 PolarHBondContact OG1-NE2 3.35Å |
| 138 | Y | 96.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 45.8 Ų | 45.8 | 35% | 0.349 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 126.7 | 176 | 173.6 | -101.6 | 0 | 0 | 0 | 111.2 | F106 V136 Q141 F144 | F106-Y138 WeakPolarHBondContact O-CB 3.36Å; F106-Y138 PolarHBondContact O-N 3.13Å; V136-Y138 PolarHBondContact O-N 3.34Å; Y138-Q141 WeakPolarHBondContact CE2-O 3.31Å; Y138-F144 HydrophobicContact CD2-CB 3.72Å; Y138-F144 AromaticContact CD2-CD1 3.74Å; Y138-F144 HydrophobicContact CD2-CD1 3.74Å; Y138-F144 AromaticContact CD2-CD2 3.73Å; Y138-F144 HydrophobicContact CD2-CD2 3.73Å; Y138-F144 HydrophobicContact CD2-CE1 4.21Å; Y138-F144 HydrophobicContact CD2-CE2 4.2Å; Y138-F144 AromaticContact CD2-CG 3.47Å; Y138-F144 HydrophobicContact CD2-CG 3.47Å; Y138-F144 VanDerWaalsContact CD2-CG 3.47Å; Y138-F144 HydrophobicContact CD2-CZ 4.41Å; Y138-F144 HydrophobicContact CE2-CB 4.22Å; Y138-F144 AromaticContact CE2-CD1 3.36Å; Y138-F144 HydrophobicContact CE2-CD1 3.36Å; Y138-F144 HydrophobicContact CE2-CD2 4.05Å; Y138-F144 AromaticContact CE2-CE1 3.53Å; Y138-F144 HydrophobicContact CE2-CE1 3.53Å; Y138-F144 HydrophobicContact CE2-CE2 4.19Å; Y138-F144 AromaticContact CE2-CG 3.64Å; Y138-F144 HydrophobicContact CE2-CG 3.64Å; Y138-F144 AromaticContact CE2-CZ 3.94Å; Y138-F144 HydrophobicContact CE2-CZ 3.94Å; Y138-F144 HydrophobicContact CG-CD2 4.16Å; Y138-F144 HydrophobicContact CG-CE2 4.46Å; Y138-F144 HydrophobicContact CG-CG 4.33Å; Y138-F144 AromaticContact CZ-CE1 3.9Å |
| 139 | Q | 95.6 | Very high | 96.4 | Very high | 157 Ų | 157 | 47.7 Ų | 47.7 | 73% | 0.734 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -133.6 | 20.5 | -177.3 | -66.1 | 176 | 32.2 | 0 | 0 | 111.7 | T137 | T137-Q139 PolarHBondContact O-N 3.26Å; T137-Q139 PolarHBondContact OG1-NE2 3.35Å |
| 140 | G | 95.2 | Very high | 96.5 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 53% | 0.526 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 103.5 | 13.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 141 | Q | 96.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | trans | -62.4 | 137.3 | 173.4 | -57.3 | 87.8 | -15.5 | 0 | 0 | 110.5 | P105 Y138 D143 | P105-Q141 HydrophobicContact CB-CB 4.19Å; P105-Q141 HydrophobicContact CB-CG 4.15Å; P105-Q141 HydrophobicContact CG-CB 3.79Å; P105-Q141 HydrophobicContact CG-CG 3.68Å; Y138-Q141 WeakPolarHBondContact CE2-O 3.31Å; Q141-D143 VanDerWaalsContact C-N 3.27Å; Q141-D143 PolarHBondContact O-N 3.18Å | ||
| 142 | R | 95 | Very high | 96.3 | Very high | 201 Ų | 201 | 54.4 Ų | 54.4 | 76% | 0.758 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -53.3 | -43.5 | -177.3 | 179.8 | -169.9 | 162.2 | 156.7 | 1.4 | 113.3 | G162 | R142-G162 CarbonylContact O-C 3.47Å; R142-G162 VanDerWaalsContact O-CA 3.25Å; R142-G162 WeakPolarHBondContact O-CA 3.38Å |
| 143 | D | 96 | Very high | 96.4 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -113.7 | 127.5 | -176.1 | -48.7 | -41.6 | 0 | 0 | 0 | 109.4 | W94 Q141 R159 G161 G162 | W94-D143 HydrophobicContact CH2-CB 4.48Å; W94-D143 HydrophobicContact CZ3-CB 4.08Å; Q141-D143 VanDerWaalsContact C-N 3.27Å; Q141-D143 PolarHBondContact O-N 3.18Å; D143-R159 HydrophobicContact CB-CG 4.16Å; D143-R159 IonicContact OD2-CZ 3.75Å; D143-R159 IonicContact OD2-NH1 3.67Å; D143-R159 PolarHBondContact OD2-NH1 2.75Å; D143-G161 VanDerWaalsContact OD1-CA 3.32Å; D143-G161 WeakPolarHBondContact OD1-CA 3.47Å; D143-G162 WeakPolarHBondContact CA-O 3.38Å; D143-G162 PolarHBondContact OD1-N 2.9Å |
| 144 | F | 97.8 | Very high | 96.4 | Very high | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 159.5 | -175.8 | 68.4 | -81.1 | 0 | 0 | 0 | 111.7 | P105 L107 Y138 G162 M163 Q164 | P105-F144 HydrophobicContact CB-CB 3.87Å; P105-F144 CarbonylContact O-C 3.58Å; P105-F144 VanDerWaalsContact O-CA 3.32Å; P105-F144 WeakPolarHBondContact O-CA 3.22Å; P105-F144 WeakPolarHBondContact O-CB 3.37Å; L107-F144 HydrophobicContact CB-CD2 4.34Å; L107-F144 HydrophobicContact CB-CE2 4.3Å; L107-F144 HydrophobicContact CD2-CE2 4.48Å; Y138-F144 HydrophobicContact CD2-CB 3.72Å; Y138-F144 AromaticContact CD2-CD1 3.74Å; Y138-F144 HydrophobicContact CD2-CD1 3.74Å; Y138-F144 AromaticContact CD2-CD2 3.73Å; Y138-F144 HydrophobicContact CD2-CD2 3.73Å; Y138-F144 HydrophobicContact CD2-CE1 4.21Å; Y138-F144 HydrophobicContact CD2-CE2 4.2Å; Y138-F144 AromaticContact CD2-CG 3.47Å; Y138-F144 HydrophobicContact CD2-CG 3.47Å; Y138-F144 VanDerWaalsContact CD2-CG 3.47Å; Y138-F144 HydrophobicContact CD2-CZ 4.41Å; Y138-F144 HydrophobicContact CE2-CB 4.22Å; Y138-F144 AromaticContact CE2-CD1 3.36Å; Y138-F144 HydrophobicContact CE2-CD1 3.36Å; Y138-F144 HydrophobicContact CE2-CD2 4.05Å; Y138-F144 AromaticContact CE2-CE1 3.53Å; Y138-F144 HydrophobicContact CE2-CE1 3.53Å; Y138-F144 HydrophobicContact CE2-CE2 4.19Å; Y138-F144 AromaticContact CE2-CG 3.64Å; Y138-F144 HydrophobicContact CE2-CG 3.64Å; Y138-F144 AromaticContact CE2-CZ 3.94Å; Y138-F144 HydrophobicContact CE2-CZ 3.94Å; Y138-F144 HydrophobicContact CG-CD2 4.16Å; Y138-F144 HydrophobicContact CG-CE2 4.46Å; Y138-F144 HydrophobicContact CG-CG 4.33Å; Y138-F144 AromaticContact CZ-CE1 3.9Å; F144-G162 PolarHBondContact N-O 3.14Å; F144-G162 VanDerWaalsContact N-O 3.16Å; F144-M163 HydrophobicContact CD1-CB 4.38Å; F144-M163 HydrophobicContact CD2-CG 4.38Å; F144-M163 HydrophobicContact CE1-CB 3.71Å; F144-M163 HydrophobicContact CE1-CG 4.29Å; F144-M163 HydrophobicContact CE2-CB 4.06Å; F144-M163 HydrophobicContact CE2-CG 3.69Å; F144-M163 HydrophobicContact CZ-CB 3.53Å; F144-M163 HydrophobicContact CZ-CG 3.64Å; F144-M163 HydrophobicContact CZ-SD 4.42Å; F144-M163 WeakPolarHBondContact O-CA 3.48Å; F144-Q164 PolarHBondContact O-N 2.99Å |
| 145 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 138.5 | 171.9 | 68.9 | 177.2 | 0 | 0 | 0 | 111.1 | W94 V104 P105 F106 L107 F135 I147 Q164 V166 L184 V187 | W94-I145 HydrophobicContact CH2-CG2 4.12Å; W94-I145 HydrophobicContact CZ2-CG2 3.81Å; V104-I145 HydrophobicContact CG1-CD1 4.21Å; V104-I145 HydrophobicContact CG1-CG1 4.44Å; V104-I145 HydrophobicContact CG1-CG2 4.17Å; P105-I145 PolarHBondContact O-N 3.38Å; F106-I145 CarbonylContact C-O 3.57Å; F106-I145 WeakPolarHBondContact CA-O 3.48Å; F106-I145 HydrophobicContact CB-CD1 3.98Å; F106-I145 HydrophobicContact CB-CG1 3.51Å; L107-I145 PolarHBondContact N-O 3Å; F135-I145 HydrophobicContact CD1-CD1 4.43Å; F135-I145 HydrophobicContact CE1-CD1 4.15Å; I145-I147 HydrophobicContact CD1-CD1 4.05Å; I145-I147 HydrophobicContact CD1-CG1 4.09Å; I145-I147 HydrophobicContact CG1-CG1 4.21Å; I145-Q164 CarbonylContact C-O 3.38Å; I145-Q164 WeakPolarHBondContact CA-O 3.47Å; I145-Q164 HydrophobicContact CB-CG 4.47Å; I145-Q164 HydrophobicContact CG2-CG 3.79Å; I145-V166 HydrophobicContact CB-CG2 4.14Å; I145-V166 HydrophobicContact CD1-CG2 4.39Å; I145-V166 HydrophobicContact CG2-CG2 4.43Å; I145-L184 HydrophobicContact CD1-CD2 4.01Å; I145-V187 HydrophobicContact CG2-CG1 3.7Å; I145-V187 HydrophobicContact CG2-CG2 4.14Å |
| 146 | S | 98.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106.7 | 172.4 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | Q164 V166 | S146-Q164 PolarHBondContact N-O 2.83Å; S146-V166 PolarHBondContact O-N 2.74Å |
| 147 | I | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.2 | -177.4 | -52.2 | 177 | 0 | 0 | 0 | 107.8 | F106 L107 L108 S109 Y112 I120 I145 V166 L168 | F106-I147 HydrophobicContact CB-CD1 4.29Å; F106-I147 HydrophobicContact CD2-CD1 4.2Å; L107-I147 PolarHBondContact O-N 2.96Å; L108-I147 HydrophobicContact CD1-CB 4.01Å; L108-I147 HydrophobicContact CD1-CG2 3.96Å; S109-I147 WeakPolarHBondContact CB-O 3.22Å; S109-I147 PolarHBondContact N-O 2.88Å; Y112-I147 HydrophobicContact CE2-CG2 4.1Å; Y112-I147 WeakPolarHBondContact CE2-O 3.32Å; I120-I147 HydrophobicContact CD1-CG2 4.13Å; I120-I147 HydrophobicContact CG2-CD1 4.1Å; I120-I147 HydrophobicContact CG2-CG2 4.41Å; I145-I147 HydrophobicContact CD1-CD1 4.05Å; I145-I147 HydrophobicContact CD1-CG1 4.09Å; I145-I147 HydrophobicContact CG1-CG1 4.21Å; I147-V166 WeakPolarHBondContact CA-O 3.36Å; I147-V166 HydrophobicContact CG1-CB 4.36Å; I147-L168 HydrophobicContact CG2-CD1 3.76Å |
| 148 | I | 98.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.195 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 143.1 | -169.3 | 56.7 | 176.5 | 0 | 0 | 0 | 112.6 | Y112 M150 V165 V166 S167 L168 | Y112-I148 PolarHBondContact OH-N 3.08Å; Y112-I148 PolarHBondContact OH-O 3.03Å; I148-M150 VanDerWaalsContact C-N 3.26Å; I148-M150 HydrophobicContact CD1-CG 3.82Å; I148-M150 HydrophobicContact CD1-SD 3.54Å; I148-M150 VanDerWaalsContact CD1-SD 3.54Å; I148-M150 HydrophobicContact CG1-CG 4.04Å; I148-M150 HydrophobicContact CG1-SD 4.2Å; I148-M150 PolarHBondContact O-N 3.25Å; I148-V165 HydrophobicContact CD1-CG1 3.85Å; I148-V165 HydrophobicContact CD1-CG2 4.04Å; I148-V165 HydrophobicContact CG1-CG1 3.91Å; I148-V166 PolarHBondContact N-O 3.39Å; I148-S167 WeakPolarHBondContact O-CA 3.29Å; I148-L168 PolarHBondContact O-N 2.81Å; I148-L168 VanDerWaalsContact O-N 3.12Å |
| 149 | P | 96.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | trans | -82.6 | 73.5 | 177.9 | 32.2 | -32.3 | 0 | 0 | 0 | 109.9 | K111 Y112 | K111-P149 HydrophobicContact CB-CG 3.77Å; K111-P149 HydrophobicContact CD-CG 4.39Å; Y112-P149 HydrophobicContact CD1-CB 4.32Å; Y112-P149 HydrophobicContact CD1-CG 4.42Å; Y112-P149 HydrophobicContact CE1-CB 3.69Å; Y112-P149 HydrophobicContact CE1-CG 4.09Å | ||
| 150 | M | 95.3 | Very high | 95.9 | Very high | 93 Ų | 93 | 40.5 Ų | 40.5 | 46% | 0.458 | 20% | 0.2 | S | C | . | . | trans | -78.4 | 177.4 | 160.3 | -68.2 | 176.9 | 65.5 | 0 | 0 | 109.2 | I148 F154 V165 S167 A169 | I148-M150 VanDerWaalsContact C-N 3.26Å; I148-M150 HydrophobicContact CD1-CG 3.82Å; I148-M150 HydrophobicContact CD1-SD 3.54Å; I148-M150 VanDerWaalsContact CD1-SD 3.54Å; I148-M150 HydrophobicContact CG1-CG 4.04Å; I148-M150 HydrophobicContact CG1-SD 4.2Å; I148-M150 PolarHBondContact O-N 3.25Å; M150-F154 HydrophobicContact CE-CZ 4.14Å; M150-F154 HydrophobicContact SD-CZ 4.36Å; M150-V165 HydrophobicContact SD-CG1 4.1Å; M150-S167 WeakPolarHBondContact CB-OG 3.36Å; M150-S167 PolarHBondContact O-OG 3.33Å; M150-A169 WeakPolarHBondContact O-CA 3.38Å; M150-A169 VanDerWaalsContact O-CB 3.3Å; M150-A169 WeakPolarHBondContact O-CB 3.32Å | ||
| 151 | Y | 92.4 | Very high | 95.6 | Very high | 202 Ų | 202 | 39.6 Ų | 39.6 | 79% | 0.792 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -67.2 | 140.7 | 169.9 | -66.9 | -71.5 | 0 | 0 | 0 | 110.1 | L62 F154 S167 | L62-Y151 WeakPolarHBondContact CD1-O 3.37Å; Y151-F154 VanDerWaalsContact O-CE1 3.28Å; Y151-F154 WeakPolarHBondContact O-CE1 3.4Å; Y151-S167 PolarHBondContact O-OG 2.62Å |
| 152 | G | 94.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 76.3 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | N59 S167 A169 C172 | N59-G152 WeakPolarHBondContact OD1-CA 3.35Å; G152-S167 PolarHBondContact O-OG 2.8Å; G152-A169 PolarHBondContact O-N 2.72Å; G152-A169 VanDerWaalsContact O-N 3.09Å; G152-C172 VanDerWaalsContact C-SG 3.59Å; G152-C172 PolarHBondContact O-SG 2.87Å |
| 153 | C | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.3 | 175.3 | -32.8 | 0 | 0 | 0 | 0 | 107.2 | I55 N59 D77 S167 C172 I179 E183 | I55-C153 HydrophobicContact CG2-CB 4.06Å; N59-C153 PolarHBondContact ND2-O 2.66Å; N59-C153 PolarHBondContact OD1-N 2.97Å; N59-C153 PolarHBondContact OD1-O 2.79Å; D77-C153 WeakPolarHBondContact CB-O 3.5Å; C153-S167 WeakPolarHBondContact CA-O 3.38Å; C153-C172 WeakPolarHBondContact CA-SG 3.32Å; C153-C172 HydrophobicContact CB-CB 3.98Å; C153-C172 WeakPolarHBondContact CB-SG 3.38Å; C153-C172 WeakPolarHBondContact SG-CB 3.37Å; C153-C172 CovalentContact SG-SG 2.03Å; C153-C172 PolarHBondContact SG-SG 3.47Å; C153-I179 HydrophobicContact CB-CG2 3.76Å; C153-E183 WeakPolarHBondContact CB-OE1 3.46Å |
| 154 | F | 97.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 158.8 | -178.4 | 62.4 | -107.6 | 0 | 0 | 0 | 112.9 | L62 F72 L73 D77 V79 M150 Y151 V165 S167 E183 | L62-F154 HydrophobicContact CD1-CD1 3.92Å; L62-F154 HydrophobicContact CD1-CE1 3.98Å; F72-F154 HydrophobicContact CE2-CE1 4.18Å; F72-F154 HydrophobicContact CE2-CE2 4.31Å; F72-F154 HydrophobicContact CE2-CZ 4.07Å; F72-F154 HydrophobicContact CZ-CE1 4.23Å; F72-F154 HydrophobicContact CZ-CZ 4.45Å; L73-F154 HydrophobicContact CD1-CB 4.44Å; L73-F154 HydrophobicContact CD1-CD1 4.37Å; L73-F154 HydrophobicContact CD2-CB 3.75Å; L73-F154 HydrophobicContact CD2-CD1 4.37Å; L73-F154 HydrophobicContact CD2-CD2 4.3Å; L73-F154 HydrophobicContact CD2-CG 3.94Å; D77-F154 HydrophobicContact CB-CB 4.34Å; D77-F154 WeakPolarHBondContact O-CA 3.34Å; D77-F154 WeakPolarHBondContact O-CB 3.25Å; V79-F154 HydrophobicContact CG2-CD2 3.59Å; V79-F154 HydrophobicContact CG2-CE2 4.06Å; M150-F154 HydrophobicContact CE-CZ 4.14Å; M150-F154 HydrophobicContact SD-CZ 4.36Å; Y151-F154 VanDerWaalsContact O-CE1 3.28Å; Y151-F154 WeakPolarHBondContact O-CE1 3.4Å; F154-V165 HydrophobicContact CE2-CG1 4.05Å; F154-S167 VanDerWaalsContact CE1-CB 3.47Å; F154-S167 PolarHBondContact N-O 2.74Å; F154-S167 VanDerWaalsContact N-O 3.13Å; F154-S167 PolarHBondContact O-N 3.08Å; F154-E183 VanDerWaalsContact CA-OE2 3.25Å; F154-E183 WeakPolarHBondContact CA-OE2 3.23Å; F154-E183 PolarHBondContact N-OE1 2.99Å |
| 155 | S | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 166 | 179.3 | 55 | 0 | 0 | 0 | 0 | 113.2 | D77 I78 V79 E183 H186 | D77-S155 PolarHBondContact O-N 2.92Å; I78-S155 WeakPolarHBondContact CA-O 3.3Å; V79-S155 PolarHBondContact N-O 3.25Å; S155-E183 VanDerWaalsContact CB-OE2 3.3Å; S155-E183 WeakPolarHBondContact CB-OE2 3.3Å; S155-E183 PolarHBondContact N-OE2 2.68Å; S155-E183 VanDerWaalsContact N-OE2 3.1Å; S155-E183 PolarHBondContact OG-O 3.15Å; S155-E183 PolarHBondContact OG-OE2 3.35Å; S155-H186 WeakPolarHBondContact OG-CB 3.3Å |
| 156 | S | 95.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | trans | -84.8 | 139 | 171.3 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | G158 S160 | S156-G158 PolarHBondContact O-N 3.34Å; S156-S160 VanDerWaalsContact CB-OG 3.29Å; S156-S160 WeakPolarHBondContact CB-OG 3.38Å | ||
| 157 | V | 94.2 | Very high | 95.4 | Very high | 15 Ų | 15 | 33 Ų | 33 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -70.9 | 123.1 | 171.6 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | I78 R85 H186 W191 | I78-V157 HydrophobicContact CB-CG2 4.44Å; I78-V157 HydrophobicContact CD1-CG2 3.86Å; I78-V157 HydrophobicContact CG1-CG2 4.01Å; I78-V157 HydrophobicContact CG2-CB 4.46Å; I78-V157 HydrophobicContact CG2-CG2 3.62Å; R85-V157 PolarHBondContact NH1-O 3.03Å; R85-V157 PolarHBondContact NH2-O 3.22Å; V157-H186 CarbonylContact C-O 3.49Å; V157-H186 VanDerWaalsContact CA-O 3.31Å; V157-H186 WeakPolarHBondContact CA-O 3.39Å; V157-H186 HydrophobicContact CG2-CB 4.33Å; V157-W191 HydrophobicContact CB-CZ2 4.28Å; V157-W191 HydrophobicContact CG1-CZ2 4.3Å; V157-W191 HydrophobicContact CG2-CD2 4.26Å; V157-W191 HydrophobicContact CG2-CZ2 4.35Å |
| 158 | G | 94.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 69.8 | -176.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S92 S156 S160 Q164 H186 V187 | S92-G158 CarbonylContact O-C 3.51Å; S92-G158 VanDerWaalsContact O-CA 3.31Å; S92-G158 WeakPolarHBondContact O-CA 3.42Å; S156-G158 PolarHBondContact O-N 3.34Å; G158-S160 PolarHBondContact O-N 3.02Å; G158-S160 PolarHBondContact O-OG 3.22Å; G158-Q164 PolarHBondContact O-NE2 2.8Å; G158-Q164 PolarHBondContact O-OE1 2.85Å; G158-H186 PolarHBondContact N-O 3.47Å; G158-V187 CarbonylContact C-O 3.59Å; G158-V187 WeakPolarHBondContact CA-O 3.49Å |
| 159 | R | 93.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | trans | -67.1 | 120.8 | 171.6 | -171.4 | 179.6 | 60.2 | 97.8 | 9.1 | 109.8 | R85 S91 S92 K93 W94 D143 | R85-R159 PolarHBondContact NH2-O 3.11Å; S91-R159 PolarHBondContact O-NH2 3.23Å; S92-R159 PolarHBondContact O-N 3.37Å; K93-R159 PolarHBondContact O-NE 3.43Å; W94-R159 HydrophobicContact CD2-CB 3.84Å; W94-R159 HydrophobicContact CD2-CG 3.98Å; W94-R159 HydrophobicContact CE3-CB 4.31Å; W94-R159 HydrophobicContact CE3-CG 3.93Å; W94-R159 HydrophobicContact CG-CB 4.11Å; W94-R159 HydrophobicContact CH2-CG 4.04Å; W94-R159 HydrophobicContact CZ2-CB 4.14Å; W94-R159 HydrophobicContact CZ2-CG 4.11Å; W94-R159 HydrophobicContact CZ3-CG 3.96Å; D143-R159 HydrophobicContact CB-CG 4.16Å; D143-R159 IonicContact OD2-CZ 3.75Å; D143-R159 IonicContact OD2-NH1 3.67Å; D143-R159 PolarHBondContact OD2-NH1 2.75Å | ||
| 160 | S | 90.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 33 Ų | 33 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | trans | -96 | -20 | -175.3 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | R85 S156 G158 Q164 | R85-S160 PolarHBondContact NH1-OG 2.79Å; R85-S160 PolarHBondContact NH2-OG 2.68Å; S156-S160 VanDerWaalsContact CB-OG 3.29Å; S156-S160 WeakPolarHBondContact CB-OG 3.38Å; G158-S160 PolarHBondContact O-N 3.02Å; G158-S160 PolarHBondContact O-OG 3.22Å; S160-Q164 PolarHBondContact OG-OE1 3.21Å | ||
| 161 | G | 89.1 | Confident | 95.1 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 32% | 0.32 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 89.4 | 132.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D143 | D143-G161 VanDerWaalsContact OD1-CA 3.32Å; D143-G161 WeakPolarHBondContact OD1-CA 3.47Å |
| 162 | G | 92.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 21.5 Ų | 21.5 | 27% | 0.268 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 71.9 | -159.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R142 D143 F144 | R142-G162 CarbonylContact O-C 3.47Å; R142-G162 VanDerWaalsContact O-CA 3.25Å; R142-G162 WeakPolarHBondContact O-CA 3.38Å; D143-G162 WeakPolarHBondContact CA-O 3.38Å; D143-G162 PolarHBondContact OD1-N 2.9Å; F144-G162 PolarHBondContact N-O 3.14Å; F144-G162 VanDerWaalsContact N-O 3.16Å |
| 163 | M | 95.1 | Very high | 95.3 | Very high | 109 Ų | 109 | 21.6 Ų | 21.6 | 54% | 0.537 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127 | 168.6 | -176.4 | -164.5 | 71.3 | 0 | 0 | 110.2 | F144 V165 | F144-M163 HydrophobicContact CD1-CB 4.38Å; F144-M163 HydrophobicContact CD2-CG 4.38Å; F144-M163 HydrophobicContact CE1-CB 3.71Å; F144-M163 HydrophobicContact CE1-CG 4.29Å; F144-M163 HydrophobicContact CE2-CB 4.06Å; F144-M163 HydrophobicContact CE2-CG 3.69Å; F144-M163 HydrophobicContact CZ-CB 3.53Å; F144-M163 HydrophobicContact CZ-CG 3.64Å; F144-M163 HydrophobicContact CZ-SD 4.42Å; F144-M163 WeakPolarHBondContact O-CA 3.48Å; M163-V165 HydrophobicContact CE-CG2 4.38Å |
| 164 | Q | 96.1 | Very high | 95 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.3 | 165.3 | 67.6 | -172 | 73.3 | 0 | 0 | 111.3 | F144 I145 S146 G158 S160 | F144-Q164 PolarHBondContact O-N 2.99Å; I145-Q164 CarbonylContact C-O 3.38Å; I145-Q164 WeakPolarHBondContact CA-O 3.47Å; I145-Q164 HydrophobicContact CB-CG 4.47Å; I145-Q164 HydrophobicContact CG2-CG 3.79Å; S146-Q164 PolarHBondContact N-O 2.83Å; G158-Q164 PolarHBondContact O-NE2 2.8Å; G158-Q164 PolarHBondContact O-OE1 2.85Å; S160-Q164 PolarHBondContact OG-OE1 3.21Å |
| 165 | V | 97.5 | Very high | 94.4 | Very high | 36 Ų | 36 | 33.7 Ų | 33.7 | 22% | 0.218 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 141.5 | -178.9 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | I148 M150 F154 M163 | I148-V165 HydrophobicContact CD1-CG1 3.85Å; I148-V165 HydrophobicContact CD1-CG2 4.04Å; I148-V165 HydrophobicContact CG1-CG1 3.91Å; M150-V165 HydrophobicContact SD-CG1 4.1Å; F154-V165 HydrophobicContact CE2-CG1 4.05Å; M163-V165 HydrophobicContact CE-CG2 4.38Å |
| 166 | V | 98.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 109.9 | 158.2 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | I145 S146 I147 I148 L168 E183 V187 | I145-V166 HydrophobicContact CB-CG2 4.14Å; I145-V166 HydrophobicContact CD1-CG2 4.39Å; I145-V166 HydrophobicContact CG2-CG2 4.43Å; S146-V166 PolarHBondContact O-N 2.74Å; I147-V166 WeakPolarHBondContact CA-O 3.36Å; I147-V166 HydrophobicContact CG1-CB 4.36Å; I148-V166 PolarHBondContact N-O 3.39Å; V166-L168 HydrophobicContact CG1-CD1 4.34Å; V166-L168 HydrophobicContact CG1-CG 4.21Å; V166-E183 HydrophobicContact CG1-CB 3.89Å; V166-E183 HydrophobicContact CG1-CG 4.46Å; V166-V187 HydrophobicContact CG2-CG2 3.5Å |
| 167 | S | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.5 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | I148 M150 Y151 G152 C153 F154 | I148-S167 WeakPolarHBondContact O-CA 3.29Å; M150-S167 WeakPolarHBondContact CB-OG 3.36Å; M150-S167 PolarHBondContact O-OG 3.33Å; Y151-S167 PolarHBondContact O-OG 2.62Å; G152-S167 PolarHBondContact O-OG 2.8Å; C153-S167 WeakPolarHBondContact CA-O 3.38Å; F154-S167 VanDerWaalsContact CE1-CB 3.47Å; F154-S167 PolarHBondContact N-O 2.74Å; F154-S167 VanDerWaalsContact N-O 3.13Å; F154-S167 PolarHBondContact O-N 3.08Å |
| 168 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 88.4 | 167.5 | -63 | 165.1 | 0 | 0 | 0 | 108.3 | Y112 I120 I147 I148 V166 C172 L173 I179 V180 E183 | Y112-L168 WeakPolarHBondContact CE1-O 3.49Å; Y112-L168 WeakPolarHBondContact OH-CB 3.29Å; Y112-L168 PolarHBondContact OH-O 3.32Å; Y112-L168 VanDerWaalsContact OH-O 3.05Å; I120-L168 HydrophobicContact CD1-CD1 4.16Å; I120-L168 HydrophobicContact CG1-CD1 4Å; I147-L168 HydrophobicContact CG2-CD1 3.76Å; I148-L168 PolarHBondContact O-N 2.81Å; I148-L168 VanDerWaalsContact O-N 3.12Å; V166-L168 HydrophobicContact CG1-CD1 4.34Å; V166-L168 HydrophobicContact CG1-CG 4.21Å; L168-C172 HydrophobicContact CB-CB 4.34Å; L168-C172 HydrophobicContact CD2-CB 4.06Å; L168-L173 HydrophobicContact CB-CD2 4.21Å; L168-L173 HydrophobicContact CD1-CD2 4.35Å; L168-I179 HydrophobicContact CD2-CG2 4.44Å; L168-V180 HydrophobicContact CD1-CB 4.38Å; L168-V180 HydrophobicContact CD1-CG1 3.82Å; L168-V180 HydrophobicContact CD1-CG2 4.03Å; L168-V180 HydrophobicContact CD2-CG2 4.27Å; L168-E183 HydrophobicContact CD2-CB 4.45Å; L168-E183 HydrophobicContact CD2-CG 3.75Å |
| 169 | A | 96.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 5% | 0.05 | 21% | 0.206 | C | C | . | . | trans | -54 | 155.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | M150 G152 T171 C172 | M150-A169 WeakPolarHBondContact O-CA 3.38Å; M150-A169 VanDerWaalsContact O-CB 3.3Å; M150-A169 WeakPolarHBondContact O-CB 3.32Å; G152-A169 PolarHBondContact O-N 2.72Å; G152-A169 VanDerWaalsContact O-N 3.09Å; A169-T171 PolarHBondContact O-N 3.48Å; A169-C172 PolarHBondContact N-SG 2.58Å; A169-C172 WeakPolarHBondContact O-CA 3.48Å; A169-C172 WeakPolarHBondContact O-CB 3.19Å; A169-C172 PolarHBondContact O-N 2.83Å; A169-C172 PolarHBondContact O-SG 3.11Å; A169-C172 VanDerWaalsContact O-SG 3.41Å | ||
| 170 | P | 94.1 | Very high | 94.6 | Very high | 73 Ų | 73 | 35 Ų | 35 | 47% | 0.474 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -52.8 | -32.8 | 175.2 | -28.7 | 36 | 0 | 0 | 0 | 113.8 | C172 L173 Q174 | P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 PolarHBondContact O-N 3.15Å; P170-L173 PolarHBondContact O-N 3.08Å; P170-Q174 WeakPolarHBondContact O-CG 3.34Å; P170-Q174 PolarHBondContact O-N 3.4Å |
| 171 | T | 93.6 | Very high | 95 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.9 | -27.6 | 173.8 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | A169 L173 | A169-T171 PolarHBondContact O-N 3.48Å; T171-L173 VanDerWaalsContact C-N 3.25Å; T171-L173 PolarHBondContact O-N 2.99Å |
| 172 | C | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.1 | -24 | 173.7 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | G152 C153 L168 A169 P170 I179 | G152-C172 VanDerWaalsContact C-SG 3.59Å; G152-C172 PolarHBondContact O-SG 2.87Å; C153-C172 WeakPolarHBondContact CA-SG 3.32Å; C153-C172 HydrophobicContact CB-CB 3.98Å; C153-C172 WeakPolarHBondContact CB-SG 3.38Å; C153-C172 WeakPolarHBondContact SG-CB 3.37Å; C153-C172 CovalentContact SG-SG 2.03Å; C153-C172 PolarHBondContact SG-SG 3.47Å; L168-C172 HydrophobicContact CB-CB 4.34Å; L168-C172 HydrophobicContact CD2-CB 4.06Å; A169-C172 PolarHBondContact N-SG 2.58Å; A169-C172 WeakPolarHBondContact O-CA 3.48Å; A169-C172 WeakPolarHBondContact O-CB 3.19Å; A169-C172 PolarHBondContact O-N 2.83Å; A169-C172 PolarHBondContact O-SG 3.11Å; A169-C172 VanDerWaalsContact O-SG 3.41Å; P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 PolarHBondContact O-N 3.15Å; C172-I179 HydrophobicContact CB-CG2 3.85Å; C172-I179 WeakPolarHBondContact O-CB 3.39Å |
| 173 | L | 95.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -100.1 | -21.2 | -173 | -52.8 | 179.2 | 0 | 0 | 0 | 112.7 | Y112 S116 V119 I120 L168 P170 T171 K175 G176 V180 | Y112-L173 HydrophobicContact CD1-CD1 4.05Å; Y112-L173 HydrophobicContact CE1-CD1 3.85Å; S116-L173 VanDerWaalsContact CB-CD1 3.49Å; V119-L173 HydrophobicContact CG1-CB 4.37Å; V119-L173 HydrophobicContact CG1-CD2 4.09Å; I120-L173 HydrophobicContact CD1-CD1 4.01Å; I120-L173 HydrophobicContact CD1-CD2 4.38Å; I120-L173 HydrophobicContact CG1-CD1 4.28Å; I120-L173 HydrophobicContact CG1-CD2 3.89Å; L168-L173 HydrophobicContact CB-CD2 4.21Å; L168-L173 HydrophobicContact CD1-CD2 4.35Å; P170-L173 PolarHBondContact O-N 3.08Å; T171-L173 VanDerWaalsContact C-N 3.25Å; T171-L173 PolarHBondContact O-N 2.99Å; L173-K175 PolarHBondContact O-N 2.86Å; L173-K175 VanDerWaalsContact O-N 3.07Å; L173-G176 PolarHBondContact O-N 3.38Å; L173-V180 HydrophobicContact CD2-CG2 3.38Å |
| 174 | Q | 90.6 | Very high | 95.9 | Very high | 151 Ų | 151 | 25.8 Ų | 25.8 | 71% | 0.706 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.7 | -179.5 | -79.4 | 172.5 | 2.8 | 0 | 0 | 115.1 | P170 | P170-Q174 WeakPolarHBondContact O-CG 3.34Å; P170-Q174 PolarHBondContact O-N 3.4Å |
| 175 | K | 84.1 | Confident | 96 | Very high | 112 Ų | 112 | 25.5 Ų | 25.5 | 49% | 0.487 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 12.2 | 179.9 | -66.1 | -179.3 | 177.6 | 176.1 | 0 | 113.3 | K53 L173 | K53-K175 PolarHBondContact O-NZ 2.83Å; L173-K175 PolarHBondContact O-N 2.86Å; L173-K175 VanDerWaalsContact O-N 3.07Å |
| 176 | G | 91.8 | Very high | 96 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 27% | 0.268 | 13% | 0.125 | S | C | . | . | trans | 81.2 | -164.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L173 G178 | L173-G176 PolarHBondContact O-N 3.38Å; G176-G178 VanDerWaalsContact C-N 3.32Å; G176-G178 PolarHBondContact O-N 3.44Å | ||
| 177 | R | 95.6 | Very high | 96 | Very high | 62 Ų | 62 | 23.7 Ų | 23.7 | 23% | 0.234 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -9.2 | -162.2 | 67 | 172.2 | -179.2 | -109.9 | 7.2 | 117 | V119 E122 A123 E126 I179 V180 L181 | V119-R177 HydrophobicContact CG1-CB 4.23Å; E122-R177 IonicContact OE2-NH1 3.59Å; E122-R177 PolarHBondContact OE2-NH1 3.14Å; E122-R177 VanDerWaalsContact OE2-NH1 3.12Å; A123-R177 HydrophobicContact CB-CB 3.99Å; E126-R177 IonicContact OE2-CZ 3.61Å; E126-R177 IonicContact OE2-NE 2.8Å; E126-R177 IonicContact OE2-NH2 3.87Å; E126-R177 PolarHBondContact OE2-NH2 3.37Å; R177-I179 PolarHBondContact O-N 2.77Å; R177-V180 WeakPolarHBondContact O-CA 3.41Å; R177-V180 WeakPolarHBondContact O-CB 3.34Å; R177-V180 PolarHBondContact O-N 3.17Å; R177-L181 HydrophobicContact CG-CD1 3.95Å; R177-L181 HydrophobicContact CG-CG 4.41Å; R177-L181 WeakPolarHBondContact O-CG 3.49Å; R177-L181 PolarHBondContact O-N 3.36Å |
| 178 | G | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G176 L181 H182 V235 R264 | G176-G178 VanDerWaalsContact C-N 3.32Å; G176-G178 PolarHBondContact O-N 3.44Å; G178-L181 PolarHBondContact O-N 2.86Å; G178-H182 PolarHBondContact O-N 3.32Å; G178-H182 VanDerWaalsContact O-N 3.14Å; G178-V235 WeakPolarHBondContact O-CG2 3.5Å; G178-R264 WeakPolarHBondContact CA-O 3.35Å |
| 179 | I | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.9 | -37.9 | 173.3 | -65.8 | 174 | 0 | 0 | 0 | 110.5 | I55 I58 C153 L168 C172 R177 L181 H182 E183 R264 | I55-I179 HydrophobicContact CD1-CB 4.48Å; I55-I179 HydrophobicContact CD1-CG1 4.28Å; I55-I179 HydrophobicContact CD1-CG2 3.92Å; I55-I179 HydrophobicContact CG1-CD1 4.26Å; I55-I179 HydrophobicContact CG1-CG1 4.04Å; I55-I179 HydrophobicContact CG1-CG2 4Å; I58-I179 HydrophobicContact CD1-CD1 3.86Å; C153-I179 HydrophobicContact CB-CG2 3.76Å; L168-I179 HydrophobicContact CD2-CG2 4.44Å; C172-I179 HydrophobicContact CB-CG2 3.85Å; C172-I179 WeakPolarHBondContact O-CB 3.39Å; R177-I179 PolarHBondContact O-N 2.77Å; I179-L181 VanDerWaalsContact C-N 3.33Å; I179-L181 PolarHBondContact O-N 3.19Å; I179-H182 WeakPolarHBondContact O-CB 3.24Å; I179-H182 PolarHBondContact O-N 3.05Å; I179-H182 VanDerWaalsContact O-N 3.17Å; I179-E183 PolarHBondContact O-N 3.49Å; I179-R264 HydrophobicContact CG1-CB 4.29Å; I179-R264 HydrophobicContact CG1-CG 4.21Å |
| 180 | V | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 174.3 | -169 | 0 | 0 | 0 | 0 | 111 | V119 I120 A123 L168 L173 R177 H182 E183 L184 | V119-V180 HydrophobicContact CG1-CG2 4.22Å; I120-V180 HydrophobicContact CG1-CG1 4.49Å; I120-V180 HydrophobicContact CG1-CG2 4.37Å; A123-V180 HydrophobicContact CB-CB 3.57Å; A123-V180 HydrophobicContact CB-CG1 3.38Å; L168-V180 HydrophobicContact CD1-CB 4.38Å; L168-V180 HydrophobicContact CD1-CG1 3.82Å; L168-V180 HydrophobicContact CD1-CG2 4.03Å; L168-V180 HydrophobicContact CD2-CG2 4.27Å; L173-V180 HydrophobicContact CD2-CG2 3.38Å; R177-V180 WeakPolarHBondContact O-CA 3.41Å; R177-V180 WeakPolarHBondContact O-CB 3.34Å; R177-V180 PolarHBondContact O-N 3.17Å; V180-H182 VanDerWaalsContact C-N 3.27Å; V180-H182 PolarHBondContact O-N 2.91Å; V180-E183 PolarHBondContact O-N 2.89Å; V180-L184 HydrophobicContact CG1-CD1 3.9Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CB 3.47Å; V180-L184 WeakPolarHBondContact O-CG 3.48Å; V180-L184 PolarHBondContact O-N 2.97Å |
| 181 | L | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 175.5 | -67 | 170.8 | 0 | 0 | 0 | 112.5 | A123 E126 F127 R177 G178 I179 M185 N266 L267 | A123-L181 HydrophobicContact CB-CD2 3.95Å; A123-L181 HydrophobicContact CB-CG 4.18Å; A123-L181 WeakPolarHBondContact O-CD2 3.39Å; E126-L181 HydrophobicContact CB-CD2 3.87Å; E126-L181 HydrophobicContact CG-CD1 4.4Å; E126-L181 HydrophobicContact CG-CD2 3.98Å; F127-L181 HydrophobicContact CD2-CD2 4.01Å; F127-L181 HydrophobicContact CE2-CD2 3.57Å; F127-L181 HydrophobicContact CZ-CD2 4.32Å; R177-L181 HydrophobicContact CG-CD1 3.95Å; R177-L181 HydrophobicContact CG-CG 4.41Å; R177-L181 WeakPolarHBondContact O-CG 3.49Å; R177-L181 PolarHBondContact O-N 3.36Å; G178-L181 PolarHBondContact O-N 2.86Å; I179-L181 VanDerWaalsContact C-N 3.33Å; I179-L181 PolarHBondContact O-N 3.19Å; L181-M185 WeakPolarHBondContact O-CG 3.45Å; L181-M185 PolarHBondContact O-N 2.88Å; L181-N266 VanDerWaalsContact CD1-OD1 3.22Å; L181-N266 WeakPolarHBondContact CD1-OD1 3.4Å; L181-L267 HydrophobicContact CB-CD2 4.15Å; L181-L267 HydrophobicContact CB-CG 4.43Å; L181-L267 HydrophobicContact CD1-CG 4.33Å; L181-L267 HydrophobicContact CD2-CD1 4.47Å; L181-L267 HydrophobicContact CD2-CG 4.23Å |
| 182 | H | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65 | -51.7 | 174.7 | -179.6 | 105.1 | 0 | 0 | 0 | 111.9 | I55 D77 G178 I179 V180 L184 M185 H186 H192 V235 M236 | I55-H182 HydrophobicContact CD1-CB 4.1Å; I55-H182 WeakPolarHBondContact CD1-CD2 3.3Å; D77-H182 IonicContact OD2-NE2 3.41Å; G178-H182 PolarHBondContact O-N 3.32Å; G178-H182 VanDerWaalsContact O-N 3.14Å; I179-H182 WeakPolarHBondContact O-CB 3.24Å; I179-H182 PolarHBondContact O-N 3.05Å; I179-H182 VanDerWaalsContact O-N 3.17Å; V180-H182 VanDerWaalsContact C-N 3.27Å; V180-H182 PolarHBondContact O-N 2.91Å; H182-L184 VanDerWaalsContact C-N 3.27Å; H182-L184 PolarHBondContact O-N 3.26Å; H182-M185 WeakPolarHBondContact O-CB 3.41Å; H182-M185 PolarHBondContact O-N 3.28Å; H182-M185 VanDerWaalsContact O-N 3.08Å; H182-H186 AromaticContact CD2-CD2 3.8Å; H182-H186 AromaticContact CD2-NE2 3.74Å; H182-H186 AromaticContact NE2-CD2 3.76Å; H182-H186 AromaticContact NE2-NE2 3.2Å; H182-H186 PolarHBondContact NE2-NE2 3.33Å; H182-H186 VanDerWaalsContact NE2-NE2 3.2Å; H182-H186 PolarHBondContact O-N 2.94Å; H182-H186 VanDerWaalsContact O-N 3.12Å; H182-H192 AromaticContact CE1-CD2 3.76Å; H182-H192 AromaticContact CE1-NE2 3.41Å; H182-H192 PolarHBondContact CE1-NE2 3.14Å; H182-H192 AromaticContact NE2-NE2 3.5Å; H182-V235 HydrophobicContact CB-CG2 4.28Å; H182-V235 PolarHBondContact ND1-O 3.12Å; H182-M236 HydrophobicContact CB-SD 4.38Å |
| 183 | E | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 176.6 | -60.6 | -53.1 | 154.7 | 0 | 0 | 112.4 | C153 F154 S155 V166 L168 I179 V180 H186 V187 | C153-E183 WeakPolarHBondContact CB-OE1 3.46Å; F154-E183 VanDerWaalsContact CA-OE2 3.25Å; F154-E183 WeakPolarHBondContact CA-OE2 3.23Å; F154-E183 PolarHBondContact N-OE1 2.99Å; S155-E183 VanDerWaalsContact CB-OE2 3.3Å; S155-E183 WeakPolarHBondContact CB-OE2 3.3Å; S155-E183 PolarHBondContact N-OE2 2.68Å; S155-E183 VanDerWaalsContact N-OE2 3.1Å; S155-E183 PolarHBondContact OG-O 3.15Å; S155-E183 PolarHBondContact OG-OE2 3.35Å; V166-E183 HydrophobicContact CG1-CB 3.89Å; V166-E183 HydrophobicContact CG1-CG 4.46Å; L168-E183 HydrophobicContact CD2-CB 4.45Å; L168-E183 HydrophobicContact CD2-CG 3.75Å; I179-E183 PolarHBondContact O-N 3.49Å; V180-E183 PolarHBondContact O-N 2.89Å; E183-H186 WeakPolarHBondContact O-CB 3.23Å; E183-H186 PolarHBondContact O-N 3.3Å; E183-H186 IonicContact OE2-CD2 2.66Å; E183-V187 WeakPolarHBondContact O-CG2 3.39Å; E183-V187 PolarHBondContact O-N 3.09Å |
| 184 | L | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.8 | -30.2 | 176.4 | -67.2 | 173 | 0 | 0 | 0 | 112.5 | A123 L124 F127 F135 I145 V180 H182 V187 L188 | A123-L184 HydrophobicContact CB-CD1 4.06Å; L124-L184 HydrophobicContact CD2-CD1 3.66Å; L124-L184 HydrophobicContact CD2-CD2 4.05Å; F127-L184 HydrophobicContact CD2-CB 4.34Å; F127-L184 HydrophobicContact CD2-CD1 4.16Å; F127-L184 HydrophobicContact CE2-CB 3.46Å; F127-L184 VanDerWaalsContact CE2-CB 3.46Å; F127-L184 HydrophobicContact CE2-CD1 3.82Å; F127-L184 HydrophobicContact CE2-CG 4.32Å; F127-L184 HydrophobicContact CZ-CB 3.84Å; F135-L184 HydrophobicContact CE1-CD2 3.81Å; F135-L184 HydrophobicContact CE2-CD1 4.49Å; F135-L184 HydrophobicContact CZ-CB 4.36Å; F135-L184 HydrophobicContact CZ-CD1 4.24Å; F135-L184 HydrophobicContact CZ-CD2 3.8Å; F135-L184 HydrophobicContact CZ-CG 4.35Å; I145-L184 HydrophobicContact CD1-CD2 4.01Å; V180-L184 HydrophobicContact CG1-CD1 3.9Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CB 3.47Å; V180-L184 WeakPolarHBondContact O-CG 3.48Å; V180-L184 PolarHBondContact O-N 2.97Å; H182-L184 VanDerWaalsContact C-N 3.27Å; H182-L184 PolarHBondContact O-N 3.26Å; L184-V187 WeakPolarHBondContact O-CB 3.34Å; L184-V187 PolarHBondContact O-N 3.4Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.3Å; L184-L188 PolarHBondContact O-N 2.89Å |
| 185 | M | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 169.2 | -81 | -72.6 | -75.2 | 0 | 0 | 111.6 | F127 L181 H182 L188 G189 F190 V235 M236 L267 D271 V275 | F127-M185 HydrophobicContact CE1-CG 4.31Å; F127-M185 HydrophobicContact CE1-SD 4.05Å; F127-M185 HydrophobicContact CZ-CG 4.03Å; F127-M185 HydrophobicContact CZ-SD 4.38Å; L181-M185 WeakPolarHBondContact O-CG 3.45Å; L181-M185 PolarHBondContact O-N 2.88Å; H182-M185 WeakPolarHBondContact O-CB 3.41Å; H182-M185 PolarHBondContact O-N 3.28Å; H182-M185 VanDerWaalsContact O-N 3.08Å; M185-L188 PolarHBondContact O-N 3.29Å; M185-G189 PolarHBondContact O-N 2.76Å; M185-F190 HydrophobicContact CB-CB 4.42Å; M185-F190 HydrophobicContact CB-CD2 4.49Å; M185-F190 HydrophobicContact CE-CB 3.96Å; M185-F190 HydrophobicContact CE-CD1 4.33Å; M185-F190 HydrophobicContact CE-CD2 3.54Å; M185-F190 HydrophobicContact CE-CE2 4.19Å; M185-F190 HydrophobicContact CE-CG 3.64Å; M185-F190 WeakPolarHBondContact O-CB 3.47Å; M185-F190 WeakPolarHBondContact O-CD2 3.31Å; M185-F190 PolarHBondContact O-N 2.7Å; M185-F190 HydrophobicContact SD-CD2 3.75Å; M185-F190 HydrophobicContact SD-CE2 4.21Å; M185-F190 HydrophobicContact SD-CG 4.43Å; M185-V235 HydrophobicContact CG-CG1 4.26Å; M185-M236 HydrophobicContact CB-CE 3.99Å; M185-M236 HydrophobicContact CB-CG 4.19Å; M185-M236 HydrophobicContact CB-SD 3.29Å; M185-M236 WeakPolarHBondContact CB-SD 3.26Å; M185-M236 HydrophobicContact CE-CG 3.95Å; M185-M236 HydrophobicContact CG-CG 4.45Å; M185-M236 HydrophobicContact CG-SD 3.84Å; M185-L267 HydrophobicContact CG-CD2 3.76Å; M185-L267 HydrophobicContact SD-CD2 4.09Å; M185-D271 HydrophobicContact CE-CB 3.79Å; M185-D271 HydrophobicContact SD-CB 4.36Å; M185-V275 HydrophobicContact SD-CG2 3.67Å |
| 186 | H | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 170.6 | -76 | -41.3 | 0 | 0 | 0 | 111.6 | D77 S155 V157 G158 H182 E183 L188 G189 F190 H192 M236 | D77-H186 IonicContact OD1-NE2 3.99Å; D77-H186 PolarHBondContact OD1-NE2 2.96Å; S155-H186 WeakPolarHBondContact OG-CB 3.3Å; V157-H186 CarbonylContact C-O 3.49Å; V157-H186 VanDerWaalsContact CA-O 3.31Å; V157-H186 WeakPolarHBondContact CA-O 3.39Å; V157-H186 HydrophobicContact CG2-CB 4.33Å; G158-H186 PolarHBondContact N-O 3.47Å; H182-H186 AromaticContact CD2-CD2 3.8Å; H182-H186 AromaticContact CD2-NE2 3.74Å; H182-H186 AromaticContact NE2-CD2 3.76Å; H182-H186 AromaticContact NE2-NE2 3.2Å; H182-H186 PolarHBondContact NE2-NE2 3.33Å; H182-H186 VanDerWaalsContact NE2-NE2 3.2Å; H182-H186 PolarHBondContact O-N 2.94Å; H182-H186 VanDerWaalsContact O-N 3.12Å; E183-H186 WeakPolarHBondContact O-CB 3.23Å; E183-H186 PolarHBondContact O-N 3.3Å; E183-H186 IonicContact OE2-CD2 2.66Å; H186-L188 PolarHBondContact O-N 3.22Å; H186-L188 VanDerWaalsContact O-N 3.14Å; H186-G189 WeakPolarHBondContact O-CA 3.31Å; H186-G189 PolarHBondContact O-N 3.36Å; H186-F190 PolarHBondContact ND1-O 2.78Å; H186-H192 AromaticContact CE1-CE1 3.88Å; H186-H192 AromaticContact NE2-CE1 3.77Å; H186-H192 AromaticContact NE2-NE2 3.91Å; H186-M236 WeakPolarHBondContact CE1-CE 3.31Å; H186-M236 WeakPolarHBondContact ND1-CE 3.45Å; H186-M236 WeakPolarHBondContact NE2-CE 3.3Å |
| 187 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -51.8 | -38.4 | 173.9 | 167.3 | 0 | 0 | 0 | 0 | 112.1 | W94 V104 I145 G158 V166 E183 L184 G189 | W94-V187 HydrophobicContact CZ2-CG1 4.13Å; W94-V187 PolarHBondContact NE1-O 3.49Å; V104-V187 HydrophobicContact CG1-CG1 4.05Å; I145-V187 HydrophobicContact CG2-CG1 3.7Å; I145-V187 HydrophobicContact CG2-CG2 4.14Å; G158-V187 CarbonylContact C-O 3.59Å; G158-V187 WeakPolarHBondContact CA-O 3.49Å; V166-V187 HydrophobicContact CG2-CG2 3.5Å; E183-V187 WeakPolarHBondContact O-CG2 3.39Å; E183-V187 PolarHBondContact O-N 3.09Å; L184-V187 WeakPolarHBondContact O-CB 3.34Å; L184-V187 PolarHBondContact O-N 3.4Å; V187-G189 VanDerWaalsContact C-N 3.29Å; V187-G189 PolarHBondContact O-N 3.03Å |
| 188 | L | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -7.4 | 178 | -70.6 | 175.1 | 0 | 0 | 0 | 114.8 | V104 F127 V133 L184 M185 H186 F190 V275 L278 Y279 | V104-L188 HydrophobicContact CG2-CD2 4.1Å; F127-L188 HydrophobicContact CD1-CD1 3.7Å; F127-L188 HydrophobicContact CE1-CD1 3.49Å; F127-L188 VanDerWaalsContact CE1-CD1 3.49Å; F127-L188 HydrophobicContact CZ-CD1 4.2Å; V133-L188 HydrophobicContact CG1-CD2 3.92Å; V133-L188 HydrophobicContact CG2-CD1 4.09Å; V133-L188 HydrophobicContact CG2-CD2 3.77Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.3Å; L184-L188 PolarHBondContact O-N 2.89Å; M185-L188 PolarHBondContact O-N 3.29Å; H186-L188 PolarHBondContact O-N 3.22Å; H186-L188 VanDerWaalsContact O-N 3.14Å; L188-F190 HydrophobicContact CB-CD2 4.16Å; L188-F190 HydrophobicContact CB-CE2 4.13Å; L188-V275 HydrophobicContact CD1-CG1 4.17Å; L188-V275 HydrophobicContact CD1-CG2 4.12Å; L188-L278 WeakPolarHBondContact O-CD2 3.47Å; L188-Y279 HydrophobicContact CB-CE2 4.21Å; L188-Y279 HydrophobicContact CD2-CE2 3.99Å; L188-Y279 PolarHBondContact O-OH 2.93Å |
| 189 | G | 94.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 8 Ų | 8 | 10% | 0.103 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107 | 17.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | M185 H186 V187 N225 | M185-G189 PolarHBondContact O-N 2.76Å; H186-G189 WeakPolarHBondContact O-CA 3.31Å; H186-G189 PolarHBondContact O-N 3.36Å; V187-G189 VanDerWaalsContact C-N 3.29Å; V187-G189 PolarHBondContact O-N 3.03Å; G189-N225 PolarHBondContact O-ND2 3.18Å |
| 190 | F | 95.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 11.8 Ų | 11.8 | 3% | 0.026 | 7% | 0.067 | C | C | . | . | trans | -94 | 145.1 | 177.8 | -62.6 | -73.2 | 0 | 0 | 0 | 112.3 | M185 H186 L188 N225 L227 R274 V275 L278 | M185-F190 HydrophobicContact CB-CB 4.42Å; M185-F190 HydrophobicContact CB-CD2 4.49Å; M185-F190 HydrophobicContact CE-CB 3.96Å; M185-F190 HydrophobicContact CE-CD1 4.33Å; M185-F190 HydrophobicContact CE-CD2 3.54Å; M185-F190 HydrophobicContact CE-CE2 4.19Å; M185-F190 HydrophobicContact CE-CG 3.64Å; M185-F190 WeakPolarHBondContact O-CB 3.47Å; M185-F190 WeakPolarHBondContact O-CD2 3.31Å; M185-F190 PolarHBondContact O-N 2.7Å; M185-F190 HydrophobicContact SD-CD2 3.75Å; M185-F190 HydrophobicContact SD-CE2 4.21Å; M185-F190 HydrophobicContact SD-CG 4.43Å; H186-F190 PolarHBondContact ND1-O 2.78Å; L188-F190 HydrophobicContact CB-CD2 4.16Å; L188-F190 HydrophobicContact CB-CE2 4.13Å; F190-N225 HydrophobicContact CD1-CB 4.34Å; F190-N225 HydrophobicContact CE1-CB 4.39Å; F190-L227 HydrophobicContact CE1-CD1 4.47Å; F190-R274 HydrophobicContact CD1-CB 4.32Å; F190-R274 HydrophobicContact CE1-CB 3.6Å; F190-R274 HydrophobicContact CZ-CB 3.85Å; F190-V275 HydrophobicContact CE2-CB 4.43Å; F190-V275 HydrophobicContact CE2-CG2 3.71Å; F190-V275 HydrophobicContact CZ-CG2 4.3Å; F190-L278 HydrophobicContact CE1-CB 4.38Å; F190-L278 HydrophobicContact CE1-CD2 3.93Å; F190-L278 HydrophobicContact CE2-CD2 3.82Å; F190-L278 HydrophobicContact CZ-CB 3.77Å; F190-L278 HydrophobicContact CZ-CD2 3.4Å; F190-L278 VanDerWaalsContact CZ-CD2 3.4Å; F190-L278 HydrophobicContact CZ-CG 4.16Å | ||
| 191 | W | 95.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 19.9 Ų | 19.9 | 17% | 0.174 | 10% | 0.097 | C | C | . | . | trans | -104.5 | 173.3 | 171.8 | -67.3 | 83.2 | 0 | 0 | 0 | 109 | I74 I78 V157 S223 | I74-W191 HydrophobicContact CD1-CH2 3.87Å; I74-W191 HydrophobicContact CD1-CZ3 3.78Å; I74-W191 HydrophobicContact CG1-CZ3 4.44Å; I78-W191 HydrophobicContact CD1-CD2 4.3Å; I78-W191 HydrophobicContact CD1-CE3 3.46Å; I78-W191 VanDerWaalsContact CD1-CE3 3.46Å; I78-W191 HydrophobicContact CD1-CZ3 3.71Å; I78-W191 HydrophobicContact CG2-CH2 4.42Å; I78-W191 HydrophobicContact CG2-CZ3 4.24Å; V157-W191 HydrophobicContact CB-CZ2 4.28Å; V157-W191 HydrophobicContact CG1-CZ2 4.3Å; V157-W191 HydrophobicContact CG2-CD2 4.26Å; V157-W191 HydrophobicContact CG2-CZ2 4.35Å; W191-S223 VanDerWaalsContact CD1-O 3.23Å; W191-S223 PolarHBondContact NE1-OG 3.07Å; W191-S223 VanDerWaalsContact NE1-OG 3.09Å | ||
| 192 | H | 96.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | trans | -63.5 | 147 | 177.5 | -70.9 | 104.5 | 0 | 0 | 0 | 114.5 | E75 D77 H182 H186 H194 A195 M236 Y238 | E75-H192 WeakPolarHBondContact CB-ND1 3.5Å; E75-H192 PolarHBondContact O-CE1 2.82Å; E75-H192 VanDerWaalsContact O-CE1 3.29Å; E75-H192 WeakPolarHBondContact OE2-CB 3.25Å; E75-H192 IonicContact OE2-CE1 2.94Å; E75-H192 IonicContact OE2-CG 2.92Å; E75-H192 IonicContact OE2-ND1 3.12Å; E75-H192 PolarHBondContact OE2-ND1 3.17Å; D77-H192 IonicContact OD1-CE1 3.91Å; D77-H192 PolarHBondContact OD1-CE1 2.94Å; D77-H192 IonicContact OD1-NE2 3.35Å; D77-H192 IonicContact OD2-CE1 2.82Å; D77-H192 IonicContact OD2-NE2 2.68Å; H182-H192 AromaticContact CE1-CD2 3.76Å; H182-H192 AromaticContact CE1-NE2 3.41Å; H182-H192 PolarHBondContact CE1-NE2 3.14Å; H182-H192 AromaticContact NE2-NE2 3.5Å; H186-H192 AromaticContact CE1-CE1 3.88Å; H186-H192 AromaticContact NE2-CE1 3.77Å; H186-H192 AromaticContact NE2-NE2 3.91Å; H192-H194 WeakPolarHBondContact CB-CE1 3.27Å; H192-H194 WeakPolarHBondContact CB-ND1 3.5Å; H192-H194 AromaticContact CD2-CE1 3.77Å; H192-H194 AromaticContact CG-CE1 3.43Å; H192-H194 VanDerWaalsContact CG-CE1 3.43Å; H192-H194 AromaticContact CG-ND1 3.93Å; H192-A195 HydrophobicContact CB-CB 4.02Å; H192-A195 PolarHBondContact O-N 3.02Å; H192-M236 CarbonylContact C-O 3.52Å; H192-M236 VanDerWaalsContact CA-O 3.31Å; H192-M236 WeakPolarHBondContact CA-O 3.29Å; H192-M236 PolarHBondContact CD2-O 3.36Å; H192-M236 VanDerWaalsContact CD2-O 3.27Å; H192-Y238 AromaticContact CD2-CD1 3.81Å; H192-Y238 AromaticContact CD2-CE1 3.69Å; H192-Y238 AromaticContact CE1-CE1 3.71Å; H192-Y238 AromaticContact NE2-CD1 3.82Å; H192-Y238 AromaticContact NE2-CE1 3.3Å; H192-Y238 VanDerWaalsContact NE2-CE1 3.3Å; H192-Y238 WeakPolarHBondContact NE2-CE1 3.07Å | ||
| 193 | E | 97.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -66.5 | -42.6 | 176.8 | -167.9 | 68.4 | -177.3 | 0 | 0 | 111.7 | A195 R196 Y230 D231 M236 H237 R274 | E193-A195 PolarHBondContact O-N 3.01Å; E193-R196 WeakPolarHBondContact O-CB 3.17Å; E193-R196 VanDerWaalsContact O-CG 3.23Å; E193-R196 WeakPolarHBondContact O-CG 3.43Å; E193-R196 PolarHBondContact O-N 2.88Å; E193-R196 VanDerWaalsContact O-N 3.12Å; E193-R196 VanDerWaalsContact OE1-CD 3.3Å; E193-R196 WeakPolarHBondContact OE1-CD 3.3Å; E193-R196 IonicContact OE1-NE 3.7Å; E193-R196 IonicContact OE1-NH1 3.12Å; E193-R196 WeakPolarHBondContact OE2-CD 3.35Å; E193-Y230 HydrophobicContact CG-CD1 4.42Å; E193-Y230 HydrophobicContact CG-CD2 4.42Å; E193-Y230 HydrophobicContact CG-CE1 4.06Å; E193-Y230 HydrophobicContact CG-CE2 4.06Å; E193-Y230 VanDerWaalsContact O-CE2 3.3Å; E193-Y230 WeakPolarHBondContact O-CE2 3.28Å; E193-Y230 VanDerWaalsContact OE1-CA 3.25Å; E193-Y230 WeakPolarHBondContact OE1-CA 3.33Å; E193-D231 PolarHBondContact OE1-N 2.99Å; E193-M236 PolarHBondContact N-O 3.09Å; E193-H237 HydrophobicContact CB-CB 3.96Å; E193-R274 IonicContact OE1-CZ 3.6Å; E193-R274 IonicContact OE1-NH1 3.78Å; E193-R274 IonicContact OE1-NH2 3.34Å; E193-R274 PolarHBondContact OE1-NH2 3.47Å; E193-R274 IonicContact OE2-CZ 2.78Å; E193-R274 IonicContact OE2-NH1 3.38Å; E193-R274 PolarHBondContact OE2-NH1 2.83Å; E193-R274 IonicContact OE2-NH2 3.53Å; E193-R274 PolarHBondContact OE2-NH2 2.72Å |
| 194 | H | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -71.8 | -4.9 | 176.5 | 75 | -81.1 | 0 | 0 | 0 | 112.9 | H192 R199 I203 N217 Y238 I251 | H192-H194 WeakPolarHBondContact CB-CE1 3.27Å; H192-H194 WeakPolarHBondContact CB-ND1 3.5Å; H192-H194 AromaticContact CD2-CE1 3.77Å; H192-H194 AromaticContact CG-CE1 3.43Å; H192-H194 VanDerWaalsContact CG-CE1 3.43Å; H192-H194 AromaticContact CG-ND1 3.93Å; H194-R199 WeakPolarHBondContact O-CD 3.49Å; H194-R199 PolarHBondContact O-NH1 2.91Å; H194-I203 HydrophobicContact CB-CD1 3.78Å; H194-N217 PolarHBondContact NE2-O 2.81Å; H194-Y238 AromaticContact CD2-CD2 3.9Å; H194-Y238 AromaticContact CE1-CD1 3.31Å; H194-Y238 WeakPolarHBondContact CE1-CD1 3.41Å; H194-Y238 AromaticContact CE1-CD2 3.23Å; H194-Y238 WeakPolarHBondContact CE1-CD2 3.4Å; H194-Y238 AromaticContact CE1-CE1 3.5Å; H194-Y238 VanDerWaalsContact CE1-CE1 3.5Å; H194-Y238 WeakPolarHBondContact CE1-CE1 3.22Å; H194-Y238 AromaticContact CE1-CE2 3.42Å; H194-Y238 VanDerWaalsContact CE1-CE2 3.42Å; H194-Y238 WeakPolarHBondContact CE1-CE2 3.45Å; H194-Y238 AromaticContact CE1-CG 3.17Å; H194-Y238 AromaticContact CE1-CZ 3.53Å; H194-Y238 AromaticContact ND1-CD1 3.71Å; H194-Y238 AromaticContact ND1-CD2 3.76Å; H194-Y238 AromaticContact ND1-CG 3.39Å; H194-Y238 AromaticContact NE2-CD2 3.33Å; H194-Y238 VanDerWaalsContact NE2-CD2 3.33Å; H194-Y238 WeakPolarHBondContact NE2-CD2 3.32Å; H194-Y238 AromaticContact NE2-CE2 3.34Å; H194-Y238 VanDerWaalsContact NE2-CE2 3.34Å; H194-Y238 WeakPolarHBondContact NE2-CE2 3.44Å; H194-Y238 AromaticContact NE2-CG 3.78Å; H194-Y238 AromaticContact NE2-CZ 3.81Å; H194-I251 HydrophobicContact CB-CD1 3.9Å |
| 195 | A | 95.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -96.7 | 0.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H192 E193 K220 S221 | H192-A195 HydrophobicContact CB-CB 4.02Å; H192-A195 PolarHBondContact O-N 3.02Å; E193-A195 PolarHBondContact O-N 3.01Å; A195-K220 CarbonylContact O-C 3.54Å; A195-K220 VanDerWaalsContact O-CA 3.29Å; A195-K220 WeakPolarHBondContact O-CA 3.29Å; A195-S221 PolarHBondContact O-N 2.93Å |
| 196 | R | 95.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | trans | -59 | 147.3 | -179.4 | -72.7 | 172.3 | 58.6 | 127.5 | 2.1 | 113.8 | E193 D198 R199 T228 P229 Y230 | E193-R196 WeakPolarHBondContact O-CB 3.17Å; E193-R196 VanDerWaalsContact O-CG 3.23Å; E193-R196 WeakPolarHBondContact O-CG 3.43Å; E193-R196 PolarHBondContact O-N 2.88Å; E193-R196 VanDerWaalsContact O-N 3.12Å; E193-R196 VanDerWaalsContact OE1-CD 3.3Å; E193-R196 WeakPolarHBondContact OE1-CD 3.3Å; E193-R196 IonicContact OE1-NE 3.7Å; E193-R196 IonicContact OE1-NH1 3.12Å; E193-R196 WeakPolarHBondContact OE2-CD 3.35Å; R196-D198 VanDerWaalsContact C-N 3.25Å; R196-D198 VanDerWaalsContact CB-OD1 3.26Å; R196-D198 WeakPolarHBondContact CB-OD1 3.48Å; R196-D198 IonicContact CZ-OD1 2.75Å; R196-D198 IonicContact CZ-OD2 3.09Å; R196-D198 IonicContact NE-OD1 3.31Å; R196-D198 PolarHBondContact NE-OD1 2.83Å; R196-D198 IonicContact NE-OD2 3.77Å; R196-D198 IonicContact NH2-OD1 3.69Å; R196-D198 PolarHBondContact NH2-OD1 2.83Å; R196-D198 IonicContact NH2-OD2 3.38Å; R196-D198 PolarHBondContact NH2-OD2 3.19Å; R196-D198 PolarHBondContact O-N 2.8Å; R196-R199 HydrophobicContact CB-CB 4.35Å; R196-R199 VanDerWaalsContact O-CB 3.3Å; R196-R199 WeakPolarHBondContact O-CB 3.33Å; R196-R199 WeakPolarHBondContact O-CG 3.48Å; R196-R199 PolarHBondContact O-N 2.8Å; R196-T228 PolarHBondContact NH1-O 3.24Å; R196-T228 PolarHBondContact NH2-O 3.39Å; R196-P229 PolarHBondContact NH1-O 3.41Å; R196-Y230 HydrophobicContact CB-CE2 4.46Å | ||
| 197 | A | 94.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 37 Ų | 37 | 38% | 0.38 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K220 S224 M226 | A197-K220 WeakPolarHBondContact O-CD 3.26Å; A197-K220 PolarHBondContact O-NZ 2.85Å; A197-S224 PolarHBondContact N-OG 3Å; A197-M226 HydrophobicContact CB-CE 4.05Å; A197-M226 HydrophobicContact CB-SD 4.02Å |
| 198 | D | 94.4 | Very high | 96.4 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -1.3 | -179 | 66 | -11 | 0 | 0 | 0 | 114.8 | R196 D200 R201 Y202 M226 | R196-D198 VanDerWaalsContact C-N 3.25Å; R196-D198 VanDerWaalsContact CB-OD1 3.26Å; R196-D198 WeakPolarHBondContact CB-OD1 3.48Å; R196-D198 IonicContact CZ-OD1 2.75Å; R196-D198 IonicContact CZ-OD2 3.09Å; R196-D198 IonicContact NE-OD1 3.31Å; R196-D198 PolarHBondContact NE-OD1 2.83Å; R196-D198 IonicContact NE-OD2 3.77Å; R196-D198 IonicContact NH2-OD1 3.69Å; R196-D198 PolarHBondContact NH2-OD1 2.83Å; R196-D198 IonicContact NH2-OD2 3.38Å; R196-D198 PolarHBondContact NH2-OD2 3.19Å; R196-D198 PolarHBondContact O-N 2.8Å; D198-D200 PolarHBondContact O-N 3.43Å; D198-R201 WeakPolarHBondContact O-CB 3.48Å; D198-R201 WeakPolarHBondContact O-CG 3.48Å; D198-R201 PolarHBondContact O-N 3.17Å; D198-Y202 HydrophobicContact CB-CE2 4.49Å; D198-M226 HydrophobicContact CB-SD 4.24Å |
| 199 | R | 96.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -52.5 | -33.4 | -170.4 | 79.2 | 178 | -166.7 | -179.6 | -5.4 | 115.1 | H194 R196 R201 Y202 I203 F218 K220 Y230 | H194-R199 WeakPolarHBondContact O-CD 3.49Å; H194-R199 PolarHBondContact O-NH1 2.91Å; R196-R199 HydrophobicContact CB-CB 4.35Å; R196-R199 VanDerWaalsContact O-CB 3.3Å; R196-R199 WeakPolarHBondContact O-CB 3.33Å; R196-R199 WeakPolarHBondContact O-CG 3.48Å; R196-R199 PolarHBondContact O-N 2.8Å; R199-R201 PolarHBondContact O-N 3.34Å; R199-R201 VanDerWaalsContact O-N 3.09Å; R199-Y202 CarbonylContact O-C 3.56Å; R199-Y202 WeakPolarHBondContact O-CA 3.38Å; R199-Y202 WeakPolarHBondContact O-CB 2.97Å; R199-Y202 PolarHBondContact O-N 3.43Å; R199-I203 HydrophobicContact CB-CD1 4.31Å; R199-I203 HydrophobicContact CB-CG1 4.04Å; R199-I203 HydrophobicContact CG-CD1 4.44Å; R199-I203 HydrophobicContact CG-CG1 4.24Å; R199-I203 WeakPolarHBondContact O-CG1 3.47Å; R199-I203 PolarHBondContact O-N 2.88Å; R199-F218 PolarHBondContact NH1-O 3.28Å; R199-F218 PolarHBondContact NH2-O 3.48Å; R199-K220 HydrophobicContact CG-CD 4.48Å; R199-K220 HydrophobicContact CG-CG 4.49Å; R199-Y230 HydrophobicContact CB-CE2 3.74Å |
| 200 | D | 96.8 | Very high | 96.4 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -70.8 | -10.5 | -172 | -57.5 | -13.2 | 0 | 0 | 0 | 111 | D198 Y202 K220 L254 | D198-D200 PolarHBondContact O-N 3.43Å; D200-Y202 VanDerWaalsContact C-N 3.26Å; D200-K220 WeakPolarHBondContact OD1-CE 3.45Å; D200-K220 IonicContact OD1-NZ 3.81Å; D200-K220 WeakPolarHBondContact OD2-CE 3.48Å; D200-K220 IonicContact OD2-NZ 2.72Å; D200-K220 PolarHBondContact OD2-NZ 3.33Å; D200-L254 WeakPolarHBondContact O-CD1 3.39Å |
| 201 | R | 96.4 | Very high | 96.2 | Very high | 172 Ų | 172 | 45.7 Ų | 45.7 | 65% | 0.649 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -76.9 | -8.3 | 167 | -59.4 | 178 | 64.8 | -178.5 | 0.7 | 113.1 | D198 R199 W255 | D198-R201 WeakPolarHBondContact O-CB 3.48Å; D198-R201 WeakPolarHBondContact O-CG 3.48Å; D198-R201 PolarHBondContact O-N 3.17Å; R199-R201 PolarHBondContact O-N 3.34Å; R199-R201 VanDerWaalsContact O-N 3.09Å; R201-W255 PolarHBondContact O-NE1 3.35Å |
| 202 | Y | 97.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | -39.9 | -170.4 | -58.6 | -81.4 | 0 | 0 | 0 | 112.5 | D198 R199 D200 Y230 Y232 L254 | D198-Y202 HydrophobicContact CB-CE2 4.49Å; R199-Y202 CarbonylContact O-C 3.56Å; R199-Y202 WeakPolarHBondContact O-CA 3.38Å; R199-Y202 WeakPolarHBondContact O-CB 2.97Å; R199-Y202 PolarHBondContact O-N 3.43Å; D200-Y202 VanDerWaalsContact C-N 3.26Å; Y202-Y230 HydrophobicContact CD1-CD1 4.21Å; Y202-Y230 HydrophobicContact CD1-CG 4.03Å; Y202-Y230 VanDerWaalsContact CD2-CB 3.47Å; Y202-Y230 HydrophobicContact CD2-CD1 4.28Å; Y202-Y230 AromaticContact CD2-CD2 3.54Å; Y202-Y230 HydrophobicContact CD2-CD2 3.54Å; Y202-Y230 HydrophobicContact CD2-CE2 4.36Å; Y202-Y230 AromaticContact CD2-CG 3.5Å; Y202-Y230 HydrophobicContact CD2-CG 3.5Å; Y202-Y230 VanDerWaalsContact CE2-CB 3.47Å; Y202-Y230 HydrophobicContact CE2-CD2 4.18Å; Y202-Y230 HydrophobicContact CE2-CG 4.04Å; Y202-Y230 AromaticContact CG-CD1 3.81Å; Y202-Y230 HydrophobicContact CG-CD1 3.81Å; Y202-Y230 AromaticContact CG-CD2 3.92Å; Y202-Y230 HydrophobicContact CG-CD2 3.92Å; Y202-Y230 AromaticContact CG-CG 3.5Å; Y202-Y230 HydrophobicContact CG-CG 3.5Å; Y202-Y230 VanDerWaalsContact CG-CG 3.5Å; Y202-Y232 PolarHBondContact O-OH 3.31Å; Y202-L254 WeakPolarHBondContact O-CB 3.17Å; Y202-L254 PolarHBondContact O-N 3.16Å |
| 203 | I | 98 | Very high | 95.5 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.4 | 178.8 | 57.8 | 163.7 | 0 | 0 | 0 | 112 | H194 R199 V205 Y230 Y232 I251 T252 | H194-I203 HydrophobicContact CB-CD1 3.78Å; R199-I203 HydrophobicContact CB-CD1 4.31Å; R199-I203 HydrophobicContact CB-CG1 4.04Å; R199-I203 HydrophobicContact CG-CD1 4.44Å; R199-I203 HydrophobicContact CG-CG1 4.24Å; R199-I203 WeakPolarHBondContact O-CG1 3.47Å; R199-I203 PolarHBondContact O-N 2.88Å; I203-V205 HydrophobicContact CD1-CG2 4.42Å; I203-Y230 WeakPolarHBondContact CD1-OH 3.42Å; I203-Y230 HydrophobicContact CG2-CE1 4.38Å; I203-Y232 HydrophobicContact CG2-CD1 4.44Å; I203-Y232 HydrophobicContact CG2-CE1 3.86Å; I203-I251 HydrophobicContact CB-CG2 3.85Å; I203-I251 HydrophobicContact CD1-CG2 3.72Å; I203-I251 HydrophobicContact CG1-CG2 4.4Å; I203-I251 HydrophobicContact CG2-CG2 3.83Å; I203-T252 WeakPolarHBondContact CA-O 3.48Å |
| 204 | R | 97.9 | Very high | 95.1 | Very high | 146 Ų | 146 | 48.6 Ų | 48.6 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.6 | 159.9 | -175.5 | -178.1 | -61.6 | 148.1 | 3.6 | 108.5 | N206 T252 L254 | R204-N206 VanDerWaalsContact CD-OD1 3.32Å; R204-N206 WeakPolarHBondContact CD-OD1 3.32Å; R204-T252 PolarHBondContact N-O 3.49Å; R204-T252 PolarHBondContact O-N 2.89Å; R204-L254 HydrophobicContact CB-CD2 4Å |
| 205 | V | 98.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.3 | 163.9 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | I203 W207 I210 F218 T250 | I203-V205 HydrophobicContact CD1-CG2 4.42Å; V205-W207 HydrophobicContact CB-CZ2 4.26Å; V205-W207 HydrophobicContact CG1-CD2 3.8Å; V205-W207 HydrophobicContact CG1-CE3 4.13Å; V205-W207 HydrophobicContact CG1-CG 4.23Å; V205-W207 HydrophobicContact CG1-CH2 4.35Å; V205-W207 HydrophobicContact CG1-CZ2 4.06Å; V205-W207 HydrophobicContact CG1-CZ3 4.38Å; V205-W207 PolarHBondContact O-N 2.92Å; V205-I210 HydrophobicContact CG1-CD1 3.84Å; V205-F218 HydrophobicContact CG1-CB 4.09Å; V205-F218 HydrophobicContact CG1-CD1 3.94Å; V205-F218 HydrophobicContact CG1-CG 4.19Å; V205-F218 HydrophobicContact CG2-CD1 4.3Å; V205-T250 CarbonylContact C-O 3.51Å; V205-T250 WeakPolarHBondContact CA-O 3.15Å |
| 206 | N | 97.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.214 | 28% | 0.276 | C | S | . | . | trans | -91.8 | 77.5 | 179.6 | -57.9 | -35.6 | 0 | 0 | 0 | 108.7 | R204 N208 E209 P249 T250 T252 | R204-N206 VanDerWaalsContact CD-OD1 3.32Å; R204-N206 WeakPolarHBondContact CD-OD1 3.32Å; N206-N208 PolarHBondContact O-N 3.42Å; N206-N208 VanDerWaalsContact O-N 3.07Å; N206-E209 HydrophobicContact CB-CG 4.45Å; N206-E209 PolarHBondContact O-N 2.85Å; N206-P249 WeakPolarHBondContact CB-O 3.46Å; N206-P249 PolarHBondContact ND2-O 3.06Å; N206-T250 PolarHBondContact N-O 2.9Å; N206-T252 PolarHBondContact ND2-OG1 3.41Å | ||
| 207 | W | 97.6 | Very high | 94.5 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -50.4 | -37.4 | -171.8 | -60.4 | 97.2 | 0 | 0 | 0 | 114.3 | V205 E209 I210 E215 F218 I219 | V205-W207 HydrophobicContact CB-CZ2 4.26Å; V205-W207 HydrophobicContact CG1-CD2 3.8Å; V205-W207 HydrophobicContact CG1-CE3 4.13Å; V205-W207 HydrophobicContact CG1-CG 4.23Å; V205-W207 HydrophobicContact CG1-CH2 4.35Å; V205-W207 HydrophobicContact CG1-CZ2 4.06Å; V205-W207 HydrophobicContact CG1-CZ3 4.38Å; V205-W207 PolarHBondContact O-N 2.92Å; W207-E209 PolarHBondContact O-N 3.27Å; W207-E209 VanDerWaalsContact O-N 3.16Å; W207-I210 HydrophobicContact CD2-CD1 4.27Å; W207-I210 HydrophobicContact CE3-CD1 3.6Å; W207-I210 HydrophobicContact CZ3-CD1 4.16Å; W207-I210 PolarHBondContact O-N 3.15Å; W207-E215 HydrophobicContact CE3-CB 4.09Å; W207-E215 HydrophobicContact CE3-CG 4.25Å; W207-E215 HydrophobicContact CZ3-CB 4.01Å; W207-F218 HydrophobicContact CH2-CB 3.9Å; W207-F218 WeakPolarHBondContact CH2-O 3.3Å; W207-F218 HydrophobicContact CZ3-CB 3.8Å; W207-I219 HydrophobicContact CH2-CD1 4.11Å; W207-I219 HydrophobicContact CZ3-CD1 4.48Å |
| 208 | N | 97.1 | Very high | 94.6 | Very high | 129 Ų | 129 | 53.7 Ų | 53.7 | 69% | 0.69 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -66.2 | -13.6 | 179.3 | -63.1 | -12.9 | 0 | 0 | 0 | 114.7 | N206 R245 | N206-N208 PolarHBondContact O-N 3.42Å; N206-N208 VanDerWaalsContact O-N 3.07Å; N208-R245 PolarHBondContact O-NH2 3.03Å |
| 209 | E | 96.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -101.7 | -2.6 | 177.3 | -56.3 | -48.8 | 146.7 | 0 | 0 | 113.5 | N206 W207 S244 R245 R246 L248 T250 | N206-E209 HydrophobicContact CB-CG 4.45Å; N206-E209 PolarHBondContact O-N 2.85Å; W207-E209 PolarHBondContact O-N 3.27Å; W207-E209 VanDerWaalsContact O-N 3.16Å; E209-S244 CarbonylContact O-C 3.59Å; E209-S244 WeakPolarHBondContact O-CA 3.34Å; E209-R245 PolarHBondContact O-N 3.14Å; E209-R246 IonicContact OE1-CZ 2.66Å; E209-R246 IonicContact OE1-NH2 2.78Å; E209-R246 PolarHBondContact OE1-NH2 3.34Å; E209-R246 IonicContact OE2-CZ 3.61Å; E209-R246 VanDerWaalsContact OE2-CZ 3.31Å; E209-R246 IonicContact OE2-NE 2.85Å; E209-R246 PolarHBondContact OE2-NE 2.81Å; E209-R246 IonicContact OE2-NH2 3.49Å; E209-R246 PolarHBondContact OE2-NH2 3.36Å; E209-L248 HydrophobicContact CB-CB 4.35Å; E209-L248 HydrophobicContact CG-CB 3.99Å; E209-T250 HydrophobicContact CB-CG2 4.32Å |
| 210 | I | 94.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 147.6 | 174.7 | -53.4 | 169.7 | 0 | 0 | 0 | 109.2 | V205 W207 F214 E215 F218 F243 T250 | V205-I210 HydrophobicContact CG1-CD1 3.84Å; W207-I210 HydrophobicContact CD2-CD1 4.27Å; W207-I210 HydrophobicContact CE3-CD1 3.6Å; W207-I210 HydrophobicContact CZ3-CD1 4.16Å; W207-I210 PolarHBondContact O-N 3.15Å; I210-F214 HydrophobicContact CG2-CB 4.03Å; I210-E215 HydrophobicContact CB-CG 4.46Å; I210-E215 HydrophobicContact CD1-CG 4.36Å; I210-E215 HydrophobicContact CG2-CG 4.37Å; I210-F218 HydrophobicContact CD1-CB 4.29Å; I210-F218 HydrophobicContact CD1-CD1 4.35Å; I210-F218 HydrophobicContact CD1-CD2 3.6Å; I210-F218 HydrophobicContact CD1-CE2 3.94Å; I210-F218 HydrophobicContact CD1-CG 3.82Å; I210-F218 HydrophobicContact CD1-CZ 4.46Å; I210-F218 HydrophobicContact CG1-CD2 4.22Å; I210-F218 HydrophobicContact CG1-CE2 4.05Å; I210-F218 HydrophobicContact CG1-CZ 4.35Å; I210-F218 HydrophobicContact CG2-CD2 4.07Å; I210-F218 HydrophobicContact CG2-CE2 3.69Å; I210-F243 CarbonylContact C-O 3.56Å; I210-F243 WeakPolarHBondContact CA-O 3.46Å; I210-F243 HydrophobicContact CG2-CB 4.3Å; I210-T250 HydrophobicContact CB-CG2 4.43Å; I210-T250 HydrophobicContact CG1-CG2 3.83Å |
| 211 | L | 91 | Very high | 93.7 | Very high | 36 Ų | 36 | 56.2 Ų | 56.2 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 128.2 | 166.9 | -75.9 | 165.1 | 0 | 0 | 0 | 109.9 | G213 F214 F243 R245 | L211-G213 PolarHBondContact O-N 3.41Å; L211-F214 HydrophobicContact CB-CB 4.17Å; L211-F214 HydrophobicContact CB-CD2 3.56Å; L211-F214 HydrophobicContact CB-CE2 4.22Å; L211-F214 HydrophobicContact CB-CG 4.04Å; L211-F214 WeakPolarHBondContact O-CB 3.48Å; L211-F214 PolarHBondContact O-N 2.96Å; L211-F243 HydrophobicContact CD1-CB 4.49Å; L211-F243 WeakPolarHBondContact CG-O 3.03Å; L211-F243 PolarHBondContact N-O 3.1Å; L211-R245 HydrophobicContact CD2-CB 4.06Å; L211-R245 HydrophobicContact CD2-CG 4.3Å; L211-R245 HydrophobicContact CG-CB 4.38Å |
| 212 | P | 89.8 | Confident | 92.5 | Very high | 79 Ų | 79 | 60.2 Ų | 60.2 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.2 | -179.8 | -27.1 | 35.3 | 0 | 0 | 0 | 111.9 | F214 | P212-F214 VanDerWaalsContact C-N 3.3Å; P212-F214 PolarHBondContact O-N 3.28Å |
| 213 | G | 86.9 | Confident | 91.1 | Very high | 29 Ų | 29 | 60.5 Ų | 60.5 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -20.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L211 E215 | L211-G213 PolarHBondContact O-N 3.41Å; G213-E215 VanDerWaalsContact C-N 3.35Å; G213-E215 WeakPolarHBondContact CA-OE2 2.86Å; G213-E215 PolarHBondContact N-OE2 3.25Å |
| 214 | F | 90.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -87.2 | 0.1 | -179.9 | -68.8 | -103.6 | 0 | 0 | 0 | 113.7 | I63 E65 P68 I210 L211 P212 I216 N217 F243 | I63-F214 HydrophobicContact CB-CE1 3.88Å; I63-F214 HydrophobicContact CB-CZ 4.29Å; I63-F214 HydrophobicContact CD1-CE1 4.03Å; I63-F214 HydrophobicContact CG2-CD1 4.21Å; I63-F214 HydrophobicContact CG2-CE1 3.43Å; I63-F214 VanDerWaalsContact CG2-CE1 3.43Å; I63-F214 HydrophobicContact CG2-CZ 3.83Å; E65-F214 HydrophobicContact CG-CZ 4.44Å; P68-F214 HydrophobicContact CB-CD2 4.41Å; P68-F214 HydrophobicContact CB-CE2 4.37Å; P68-F214 HydrophobicContact CB-CZ 4.49Å; P68-F214 HydrophobicContact CG-CD2 4.01Å; P68-F214 HydrophobicContact CG-CE2 3.8Å; P68-F214 HydrophobicContact CG-CZ 4.26Å; I210-F214 HydrophobicContact CG2-CB 4.03Å; L211-F214 HydrophobicContact CB-CB 4.17Å; L211-F214 HydrophobicContact CB-CD2 3.56Å; L211-F214 HydrophobicContact CB-CE2 4.22Å; L211-F214 HydrophobicContact CB-CG 4.04Å; L211-F214 WeakPolarHBondContact O-CB 3.48Å; L211-F214 PolarHBondContact O-N 2.96Å; P212-F214 VanDerWaalsContact C-N 3.3Å; P212-F214 PolarHBondContact O-N 3.28Å; F214-I216 PolarHBondContact O-N 3.3Å; F214-I216 VanDerWaalsContact O-N 3.14Å; F214-N217 WeakPolarHBondContact O-CB 3.38Å; F214-N217 PolarHBondContact O-N 2.63Å; F214-N217 PolarHBondContact O-ND2 3.12Å; F214-F243 HydrophobicContact CB-CB 4.09Å; F214-F243 HydrophobicContact CB-CD1 4.27Å; F214-F243 HydrophobicContact CB-CG 4.14Å; F214-F243 AromaticContact CD1-CD1 3.25Å; F214-F243 HydrophobicContact CD1-CD1 3.25Å; F214-F243 AromaticContact CD1-CE1 3.42Å; F214-F243 HydrophobicContact CD1-CE1 3.42Å; F214-F243 VanDerWaalsContact CD1-CE1 3.42Å; F214-F243 AromaticContact CD1-CG 3.96Å; F214-F243 HydrophobicContact CD1-CG 3.96Å; F214-F243 HydrophobicContact CD1-CZ 4.21Å; F214-F243 AromaticContact CE1-CD1 3.78Å; F214-F243 HydrophobicContact CE1-CD1 3.78Å; F214-F243 AromaticContact CE1-CE1 3.7Å; F214-F243 HydrophobicContact CE1-CE1 3.7Å; F214-F243 AromaticContact CG-CD1 3.99Å; F214-F243 HydrophobicContact CG-CD1 3.99Å; F214-F243 HydrophobicContact CG-CG 4.37Å |
| 215 | E | 92.5 | Very high | 88.2 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -58.1 | -28.1 | 179.4 | -59.5 | 87 | 168.2 | 0 | 0 | 112.4 | W207 I210 G213 N217 F218 | W207-E215 HydrophobicContact CE3-CB 4.09Å; W207-E215 HydrophobicContact CE3-CG 4.25Å; W207-E215 HydrophobicContact CZ3-CB 4.01Å; I210-E215 HydrophobicContact CB-CG 4.46Å; I210-E215 HydrophobicContact CD1-CG 4.36Å; I210-E215 HydrophobicContact CG2-CG 4.37Å; G213-E215 VanDerWaalsContact C-N 3.35Å; G213-E215 WeakPolarHBondContact CA-OE2 2.86Å; G213-E215 PolarHBondContact N-OE2 3.25Å; E215-N217 PolarHBondContact O-N 2.82Å; E215-F218 PolarHBondContact O-N 3.44Å |
| 216 | I | 89.9 | Confident | 87.6 | Confident | 86 Ų | 86 | 61 Ų | 61 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -56.4 | -31.8 | 175.9 | -169.9 | 57.2 | 0 | 0 | 0 | 112.8 | F214 F218 I219 | F214-I216 PolarHBondContact O-N 3.3Å; F214-I216 VanDerWaalsContact O-N 3.14Å; I216-F218 PolarHBondContact O-N 2.71Å; I216-I219 HydrophobicContact CD1-CB 4.49Å; I216-I219 HydrophobicContact CD1-CG1 3.96Å; I216-I219 PolarHBondContact O-N 3.03Å |
| 217 | N | 92.4 | Very high | 87.3 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -72.4 | -6.8 | 178 | -56.7 | -67.1 | 0 | 0 | 0 | 113.6 | E75 G76 H194 F214 E215 F243 | E75-N217 VanDerWaalsContact CA-OD1 3.27Å; E75-N217 WeakPolarHBondContact CA-OD1 3.39Å; E75-N217 PolarHBondContact N-OD1 2.69Å; G76-N217 PolarHBondContact N-OD1 2.96Å; H194-N217 PolarHBondContact NE2-O 2.81Å; F214-N217 WeakPolarHBondContact O-CB 3.38Å; F214-N217 PolarHBondContact O-N 2.63Å; F214-N217 PolarHBondContact O-ND2 3.12Å; E215-N217 PolarHBondContact O-N 2.82Å; N217-F243 HydrophobicContact CB-CD2 4.03Å; N217-F243 HydrophobicContact CB-CE2 3.69Å |
| 218 | F | 95.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -113.8 | 11 | 176 | -60.3 | -98.8 | 0 | 0 | 0 | 112.1 | R199 V205 W207 I210 E215 I216 Y238 A242 F243 I251 | R199-F218 PolarHBondContact NH1-O 3.28Å; R199-F218 PolarHBondContact NH2-O 3.48Å; V205-F218 HydrophobicContact CG1-CB 4.09Å; V205-F218 HydrophobicContact CG1-CD1 3.94Å; V205-F218 HydrophobicContact CG1-CG 4.19Å; V205-F218 HydrophobicContact CG2-CD1 4.3Å; W207-F218 HydrophobicContact CH2-CB 3.9Å; W207-F218 WeakPolarHBondContact CH2-O 3.3Å; W207-F218 HydrophobicContact CZ3-CB 3.8Å; I210-F218 HydrophobicContact CD1-CB 4.29Å; I210-F218 HydrophobicContact CD1-CD1 4.35Å; I210-F218 HydrophobicContact CD1-CD2 3.6Å; I210-F218 HydrophobicContact CD1-CE2 3.94Å; I210-F218 HydrophobicContact CD1-CG 3.82Å; I210-F218 HydrophobicContact CD1-CZ 4.46Å; I210-F218 HydrophobicContact CG1-CD2 4.22Å; I210-F218 HydrophobicContact CG1-CE2 4.05Å; I210-F218 HydrophobicContact CG1-CZ 4.35Å; I210-F218 HydrophobicContact CG2-CD2 4.07Å; I210-F218 HydrophobicContact CG2-CE2 3.69Å; E215-F218 PolarHBondContact O-N 3.44Å; I216-F218 PolarHBondContact O-N 2.71Å; F218-Y238 HydrophobicContact CE1-CD2 4.21Å; F218-Y238 HydrophobicContact CZ-CD2 4.37Å; F218-Y238 HydrophobicContact CZ-CE2 4.41Å; F218-A242 HydrophobicContact CZ-CB 4.38Å; F218-A242 WeakPolarHBondContact CZ-O 3.37Å; F218-F243 HydrophobicContact CE2-CB 3.96Å; F218-F243 AromaticContact CE2-CD2 3.77Å; F218-F243 HydrophobicContact CE2-CD2 3.77Å; F218-F243 HydrophobicContact CE2-CG 4.32Å; F218-F243 HydrophobicContact CZ-CB 4.19Å; F218-F243 HydrophobicContact CZ-CD2 4.04Å; F218-I251 HydrophobicContact CD1-CD1 4.44Å; F218-I251 HydrophobicContact CD1-CG1 4.33Å; F218-I251 HydrophobicContact CE1-CD1 4.01Å; F218-I251 HydrophobicContact CE1-CG1 3.88Å |
| 219 | I | 93.3 | Very high | 87.2 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 46% | 0.456 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -75.3 | 146.7 | 171.5 | -61.7 | -62.4 | 0 | 0 | 0 | 109.4 | W207 I216 | W207-I219 HydrophobicContact CH2-CD1 4.11Å; W207-I219 HydrophobicContact CZ3-CD1 4.48Å; I216-I219 HydrophobicContact CD1-CB 4.49Å; I216-I219 HydrophobicContact CD1-CG1 3.96Å; I216-I219 PolarHBondContact O-N 3.03Å |
| 220 | K | 92.8 | Very high | 87.2 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 130.3 | -179.3 | -59 | -174.9 | -172.1 | 179.7 | 0 | 111.4 | A195 A197 R199 D200 | A195-K220 CarbonylContact O-C 3.54Å; A195-K220 VanDerWaalsContact O-CA 3.29Å; A195-K220 WeakPolarHBondContact O-CA 3.29Å; A197-K220 WeakPolarHBondContact O-CD 3.26Å; A197-K220 PolarHBondContact O-NZ 2.85Å; R199-K220 HydrophobicContact CG-CD 4.48Å; R199-K220 HydrophobicContact CG-CG 4.49Å; D200-K220 WeakPolarHBondContact OD1-CE 3.45Å; D200-K220 IonicContact OD1-NZ 3.81Å; D200-K220 WeakPolarHBondContact OD2-CE 3.48Å; D200-K220 IonicContact OD2-NZ 2.72Å; D200-K220 PolarHBondContact OD2-NZ 3.33Å |
| 221 | S | 81.8 | Confident | 87.3 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 127.2 | 172.1 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | A195 S223 S224 | A195-S221 PolarHBondContact O-N 2.93Å; S221-S223 PolarHBondContact O-N 3.05Å; S221-S223 PolarHBondContact OG-N 3.48Å; S221-S223 PolarHBondContact OG-OG 3.19Å; S221-S224 PolarHBondContact O-OG 2.96Å |
| 222 | R | 71.1 | Confident | 87.6 | Confident | 257 Ų | 257 | 56.3 Ų | 56.3 | 97% | 0.97 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.6 | 174.1 | -66 | -176.1 | 178.4 | -176.6 | -0.4 | 112.9 | ||
| 223 | S | 68.4 | Low | 87.9 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 33.3 | -172.8 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | W191 S221 N225 | W191-S223 VanDerWaalsContact CD1-O 3.23Å; W191-S223 PolarHBondContact NE1-OG 3.07Å; W191-S223 VanDerWaalsContact NE1-OG 3.09Å; S221-S223 PolarHBondContact O-N 3.05Å; S221-S223 PolarHBondContact OG-N 3.48Å; S221-S223 PolarHBondContact OG-OG 3.19Å; S223-N225 PolarHBondContact O-N 3.07Å |
| 224 | S | 64.8 | Low | 88.4 | Confident | 14 Ų | 14 | 54 Ų | 54 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | trans | -75.4 | 20.5 | -166.1 | 37 | 0 | 0 | 0 | 0 | 116.8 | A197 S221 M226 | A197-S224 PolarHBondContact N-OG 3Å; S221-S224 PolarHBondContact O-OG 2.96Å; S224-M226 VanDerWaalsContact C-N 3.3Å; S224-M226 PolarHBondContact O-N 3.03Å | ||
| 225 | N | 70.6 | Confident | 88.8 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 27% | 0.272 | S | S | . | . | trans | 32.8 | 55.6 | 168.9 | -77.6 | -25.4 | 0 | 0 | 0 | 114.8 | G189 F190 S223 L227 | G189-N225 PolarHBondContact O-ND2 3.18Å; F190-N225 HydrophobicContact CD1-CB 4.34Å; F190-N225 HydrophobicContact CE1-CB 4.39Å; S223-N225 PolarHBondContact O-N 3.07Å; N225-L227 PolarHBondContact O-N 3.33Å | ||
| 226 | M | 85.5 | Confident | 89 | Confident | 98 Ų | 98 | 50.6 Ų | 50.6 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | trans | -73.6 | 52.6 | -170.7 | -61.5 | -176.6 | -69.7 | 0 | 0 | 113.3 | A197 D198 S224 T228 | A197-M226 HydrophobicContact CB-CE 4.05Å; A197-M226 HydrophobicContact CB-SD 4.02Å; D198-M226 HydrophobicContact CB-SD 4.24Å; S224-M226 VanDerWaalsContact C-N 3.3Å; S224-M226 PolarHBondContact O-N 3.03Å; M226-T228 PolarHBondContact O-N 3.48Å | ||
| 227 | L | 91.4 | Very high | 89.4 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | trans | -75.2 | -11.2 | -174.2 | -60 | 174.6 | 0 | 0 | 0 | 113.3 | F190 N225 R274 K277 L278 | F190-L227 HydrophobicContact CE1-CD1 4.47Å; N225-L227 PolarHBondContact O-N 3.33Å; L227-R274 HydrophobicContact CB-CG 4.44Å; L227-K277 HydrophobicContact CB-CB 4.25Å; L227-K277 HydrophobicContact CB-CD 4.08Å; L227-K277 HydrophobicContact CD1-CB 4.08Å; L227-K277 VanDerWaalsContact O-CD 3.23Å; L227-K277 WeakPolarHBondContact O-CD 3.44Å; L227-K277 PolarHBondContact O-NZ 2.92Å; L227-L278 HydrophobicContact CD1-CB 3.73Å; L227-L278 HydrophobicContact CD1-CD1 3.99Å; L227-L278 HydrophobicContact CD1-CG 4.48Å | ||
| 228 | T | 95.3 | Very high | 89.6 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 8% | 0.08 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -142.1 | 166.3 | 175.4 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | R196 M226 S270 T273 R274 | R196-T228 PolarHBondContact NH1-O 3.24Å; R196-T228 PolarHBondContact NH2-O 3.39Å; M226-T228 PolarHBondContact O-N 3.48Å; T228-S270 WeakPolarHBondContact CB-OG 3.34Å; T228-S270 PolarHBondContact OG1-OG 2.76Å; T228-T273 HydrophobicContact CG2-CG2 3.62Å; T228-R274 HydrophobicContact CG2-CG 3.88Å; T228-R274 PolarHBondContact OG1-NE 3.15Å; T228-R274 PolarHBondContact OG1-NH2 2.81Å |
| 229 | P | 96.1 | Very high | 89.6 | Confident | 99 Ų | 99 | 46.7 Ų | 46.7 | 64% | 0.643 | 24% | 0.239 | S | C | * | . | trans | -52.8 | 163.9 | 168.6 | -26.6 | 36.6 | 0 | 0 | 0 | 113.1 | R196 R274 | R196-P229 PolarHBondContact NH1-O 3.41Å; P229-R274 PolarHBondContact O-NH2 3.45Å; P229-R274 VanDerWaalsContact O-NH2 3.13Å | ||
| 230 | Y | 96.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | trans | -62.2 | 136.7 | 173.2 | -164.6 | -79.3 | 0 | 0 | 0 | 110.5 | E193 R196 R199 Y202 I203 Y232 H237 | E193-Y230 HydrophobicContact CG-CD1 4.42Å; E193-Y230 HydrophobicContact CG-CD2 4.42Å; E193-Y230 HydrophobicContact CG-CE1 4.06Å; E193-Y230 HydrophobicContact CG-CE2 4.06Å; E193-Y230 VanDerWaalsContact O-CE2 3.3Å; E193-Y230 WeakPolarHBondContact O-CE2 3.28Å; E193-Y230 VanDerWaalsContact OE1-CA 3.25Å; E193-Y230 WeakPolarHBondContact OE1-CA 3.33Å; R196-Y230 HydrophobicContact CB-CE2 4.46Å; R199-Y230 HydrophobicContact CB-CE2 3.74Å; Y202-Y230 HydrophobicContact CD1-CD1 4.21Å; Y202-Y230 HydrophobicContact CD1-CG 4.03Å; Y202-Y230 VanDerWaalsContact CD2-CB 3.47Å; Y202-Y230 HydrophobicContact CD2-CD1 4.28Å; Y202-Y230 AromaticContact CD2-CD2 3.54Å; Y202-Y230 HydrophobicContact CD2-CD2 3.54Å; Y202-Y230 HydrophobicContact CD2-CE2 4.36Å; Y202-Y230 AromaticContact CD2-CG 3.5Å; Y202-Y230 HydrophobicContact CD2-CG 3.5Å; Y202-Y230 VanDerWaalsContact CE2-CB 3.47Å; Y202-Y230 HydrophobicContact CE2-CD2 4.18Å; Y202-Y230 HydrophobicContact CE2-CG 4.04Å; Y202-Y230 AromaticContact CG-CD1 3.81Å; Y202-Y230 HydrophobicContact CG-CD1 3.81Å; Y202-Y230 AromaticContact CG-CD2 3.92Å; Y202-Y230 HydrophobicContact CG-CD2 3.92Å; Y202-Y230 AromaticContact CG-CG 3.5Å; Y202-Y230 HydrophobicContact CG-CG 3.5Å; Y202-Y230 VanDerWaalsContact CG-CG 3.5Å; I203-Y230 WeakPolarHBondContact CD1-OH 3.42Å; I203-Y230 HydrophobicContact CG2-CE1 4.38Å; Y230-Y232 HydrophobicContact CD1-CD1 4.26Å; Y230-Y232 HydrophobicContact CD1-CE1 4.23Å; Y230-Y232 AromaticContact CE1-CD1 3.78Å; Y230-Y232 HydrophobicContact CE1-CD1 3.78Å; Y230-Y232 AromaticContact CE1-CE1 3.85Å; Y230-Y232 HydrophobicContact CE1-CE1 3.85Å; Y230-H237 AromaticContact CE1-CD2 3.83Å; Y230-H237 AromaticContact CE1-NE2 3.6Å; Y230-H237 AromaticContact CZ-CD2 3.95Å; Y230-H237 AromaticContact CZ-NE2 3.59Å; Y230-H237 PolarHBondContact OH-CD2 2.66Å; Y230-H237 PolarHBondContact OH-NE2 2.73Å | ||
| 231 | D | 96.9 | Very high | 89.8 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | trans | -132.9 | 103.2 | -174.6 | -179.9 | 14.2 | 0 | 0 | 0 | 112.1 | E193 S233 S234 S268 S270 | E193-D231 PolarHBondContact OE1-N 2.99Å; D231-S233 PolarHBondContact O-N 3.37Å; D231-S233 VanDerWaalsContact O-N 3.15Å; D231-S233 WeakPolarHBondContact OD1-CA 3.5Å; D231-S233 WeakPolarHBondContact OD1-CB 3.31Å; D231-S233 PolarHBondContact OD1-N 3.04Å; D231-S233 PolarHBondContact OD1-OG 3.48Å; D231-S233 PolarHBondContact OD2-OG 3.23Å; D231-S234 VanDerWaalsContact O-CB 3.3Å; D231-S234 WeakPolarHBondContact O-CB 3.23Å; D231-S234 PolarHBondContact O-N 3.09Å; D231-S234 VanDerWaalsContact O-N 3.08Å; D231-S234 PolarHBondContact OD2-N 2.85Å; D231-S268 WeakPolarHBondContact OD2-CB 3.41Å; D231-S268 PolarHBondContact OD2-OG 2.83Å; D231-S270 WeakPolarHBondContact OD2-CB 3.32Å | ||
| 232 | Y | 97.4 | Very high | 90.4 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.1 | 173.2 | -61.4 | -63.7 | 0 | 0 | 0 | 113.6 | Y202 I203 Y230 P253 V259 I261 | Y202-Y232 PolarHBondContact O-OH 3.31Å; I203-Y232 HydrophobicContact CG2-CD1 4.44Å; I203-Y232 HydrophobicContact CG2-CE1 3.86Å; Y230-Y232 HydrophobicContact CD1-CD1 4.26Å; Y230-Y232 HydrophobicContact CD1-CE1 4.23Å; Y230-Y232 AromaticContact CE1-CD1 3.78Å; Y230-Y232 HydrophobicContact CE1-CD1 3.78Å; Y230-Y232 AromaticContact CE1-CE1 3.85Å; Y230-Y232 HydrophobicContact CE1-CE1 3.85Å; Y232-P253 HydrophobicContact CD1-CB 4.35Å; Y232-P253 HydrophobicContact CD1-CG 4.37Å; Y232-P253 HydrophobicContact CE1-CB 3.79Å; Y232-P253 HydrophobicContact CE1-CG 4.23Å; Y232-V259 HydrophobicContact CD1-CG1 4.08Å; Y232-V259 HydrophobicContact CD2-CG1 3.91Å; Y232-V259 HydrophobicContact CD2-CG2 4.44Å; Y232-V259 HydrophobicContact CE1-CG1 4.49Å; Y232-V259 HydrophobicContact CE2-CG1 4.33Å; Y232-V259 HydrophobicContact CG-CG1 3.77Å; Y232-I261 HydrophobicContact CD1-CG2 3.79Å; Y232-I261 HydrophobicContact CG-CG2 4.19Å |
| 233 | S | 96.9 | Very high | 91.5 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 42% | 0.42 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -0.3 | -179.9 | 74 | 0 | 0 | 0 | 0 | 114.1 | D231 V235 Q263 | D231-S233 PolarHBondContact O-N 3.37Å; D231-S233 VanDerWaalsContact O-N 3.15Å; D231-S233 WeakPolarHBondContact OD1-CA 3.5Å; D231-S233 WeakPolarHBondContact OD1-CB 3.31Å; D231-S233 PolarHBondContact OD1-N 3.04Å; D231-S233 PolarHBondContact OD1-OG 3.48Å; D231-S233 PolarHBondContact OD2-OG 3.23Å; S233-V235 PolarHBondContact O-N 3.28Å; S233-Q263 VanDerWaalsContact O-CG 3.32Å; S233-Q263 WeakPolarHBondContact O-CG 3.45Å; S233-Q263 PolarHBondContact O-NE2 3.3Å |
| 234 | S | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -57.5 | 137.2 | 175.6 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | D231 M236 H237 D271 R274 | D231-S234 VanDerWaalsContact O-CB 3.3Å; D231-S234 WeakPolarHBondContact O-CB 3.23Å; D231-S234 PolarHBondContact O-N 3.09Å; D231-S234 VanDerWaalsContact O-N 3.08Å; D231-S234 PolarHBondContact OD2-N 2.85Å; S234-M236 PolarHBondContact O-N 3.37Å; S234-M236 VanDerWaalsContact O-N 3.15Å; S234-M236 WeakPolarHBondContact OG-CB 3.49Å; S234-M236 PolarHBondContact OG-N 2.76Å; S234-M236 VanDerWaalsContact OG-N 3.11Å; S234-H237 WeakPolarHBondContact O-CB 3.24Å; S234-H237 PolarHBondContact O-N 2.81Å; S234-D271 WeakPolarHBondContact CA-OD2 3.3Å; S234-D271 WeakPolarHBondContact CB-OD1 3.27Å; S234-D271 PolarHBondContact OG-OD1 2.96Å; S234-D271 PolarHBondContact OG-OD2 3.03Å; S234-R274 PolarHBondContact OG-NH1 3.19Å | ||
| 235 | V | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.6 | 173.1 | 81.7 | 0 | 0 | 0 | 0 | 111.4 | G178 H182 M185 S233 H237 R264 L267 D271 | G178-V235 WeakPolarHBondContact O-CG2 3.5Å; H182-V235 HydrophobicContact CB-CG2 4.28Å; H182-V235 PolarHBondContact ND1-O 3.12Å; M185-V235 HydrophobicContact CG-CG1 4.26Å; S233-V235 PolarHBondContact O-N 3.28Å; V235-H237 VanDerWaalsContact C-N 3.32Å; V235-R264 PolarHBondContact O-NH1 3.22Å; V235-R264 VanDerWaalsContact O-NH1 3.14Å; V235-L267 HydrophobicContact CG1-CD2 3.96Å; V235-D271 PolarHBondContact N-OD2 2.81Å |
| 236 | M | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 7.6 | 176 | -50.3 | -46.8 | -64.5 | 0 | 0 | 113.4 | H182 M185 H186 H192 E193 S234 | H182-M236 HydrophobicContact CB-SD 4.38Å; M185-M236 HydrophobicContact CB-CE 3.99Å; M185-M236 HydrophobicContact CB-CG 4.19Å; M185-M236 HydrophobicContact CB-SD 3.29Å; M185-M236 WeakPolarHBondContact CB-SD 3.26Å; M185-M236 HydrophobicContact CE-CG 3.95Å; M185-M236 HydrophobicContact CG-CG 4.45Å; M185-M236 HydrophobicContact CG-SD 3.84Å; H186-M236 WeakPolarHBondContact CE1-CE 3.31Å; H186-M236 WeakPolarHBondContact ND1-CE 3.45Å; H186-M236 WeakPolarHBondContact NE2-CE 3.3Å; H192-M236 CarbonylContact C-O 3.52Å; H192-M236 VanDerWaalsContact CA-O 3.31Å; H192-M236 WeakPolarHBondContact CA-O 3.29Å; H192-M236 PolarHBondContact CD2-O 3.36Å; H192-M236 VanDerWaalsContact CD2-O 3.27Å; E193-M236 PolarHBondContact N-O 3.09Å; S234-M236 PolarHBondContact O-N 3.37Å; S234-M236 VanDerWaalsContact O-N 3.15Å; S234-M236 WeakPolarHBondContact OG-CB 3.49Å; S234-M236 PolarHBondContact OG-N 2.76Å; S234-M236 VanDerWaalsContact OG-N 3.11Å |
| 237 | H | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -91.5 | 134.2 | 174.9 | -156.3 | -57.4 | 0 | 0 | 0 | 110.4 | E193 Y230 S234 V235 G262 R264 | E193-H237 HydrophobicContact CB-CB 3.96Å; Y230-H237 AromaticContact CE1-CD2 3.83Å; Y230-H237 AromaticContact CE1-NE2 3.6Å; Y230-H237 AromaticContact CZ-CD2 3.95Å; Y230-H237 AromaticContact CZ-NE2 3.59Å; Y230-H237 PolarHBondContact OH-CD2 2.66Å; Y230-H237 PolarHBondContact OH-NE2 2.73Å; S234-H237 WeakPolarHBondContact O-CB 3.24Å; S234-H237 PolarHBondContact O-N 2.81Å; V235-H237 VanDerWaalsContact C-N 3.32Å; H237-G262 WeakPolarHBondContact O-CA 3.42Å; H237-R264 PolarHBondContact O-NH1 3.31Å; H237-R264 PolarHBondContact O-NH2 2.78Å |
| 238 | Y | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 150.1 | 167.3 | -87.2 | 7.1 | 0 | 0 | 0 | 112.9 | P56 E75 H192 H194 F218 A242 F243 I251 G262 | P56-Y238 HydrophobicContact CG-CD1 4.16Å; P56-Y238 HydrophobicContact CG-CE1 3.77Å; P56-Y238 HydrophobicContact CG-CE2 4.26Å; E75-Y238 PolarHBondContact O-OH 3.31Å; H192-Y238 AromaticContact CD2-CD1 3.81Å; H192-Y238 AromaticContact CD2-CE1 3.69Å; H192-Y238 AromaticContact CE1-CE1 3.71Å; H192-Y238 AromaticContact NE2-CD1 3.82Å; H192-Y238 AromaticContact NE2-CE1 3.3Å; H192-Y238 VanDerWaalsContact NE2-CE1 3.3Å; H192-Y238 WeakPolarHBondContact NE2-CE1 3.07Å; H194-Y238 AromaticContact CD2-CD2 3.9Å; H194-Y238 AromaticContact CE1-CD1 3.31Å; H194-Y238 WeakPolarHBondContact CE1-CD1 3.41Å; H194-Y238 AromaticContact CE1-CD2 3.23Å; H194-Y238 WeakPolarHBondContact CE1-CD2 3.4Å; H194-Y238 AromaticContact CE1-CE1 3.5Å; H194-Y238 VanDerWaalsContact CE1-CE1 3.5Å; H194-Y238 WeakPolarHBondContact CE1-CE1 3.22Å; H194-Y238 AromaticContact CE1-CE2 3.42Å; H194-Y238 VanDerWaalsContact CE1-CE2 3.42Å; H194-Y238 WeakPolarHBondContact CE1-CE2 3.45Å; H194-Y238 AromaticContact CE1-CG 3.17Å; H194-Y238 AromaticContact CE1-CZ 3.53Å; H194-Y238 AromaticContact ND1-CD1 3.71Å; H194-Y238 AromaticContact ND1-CD2 3.76Å; H194-Y238 AromaticContact ND1-CG 3.39Å; H194-Y238 AromaticContact NE2-CD2 3.33Å; H194-Y238 VanDerWaalsContact NE2-CD2 3.33Å; H194-Y238 WeakPolarHBondContact NE2-CD2 3.32Å; H194-Y238 AromaticContact NE2-CE2 3.34Å; H194-Y238 VanDerWaalsContact NE2-CE2 3.34Å; H194-Y238 WeakPolarHBondContact NE2-CE2 3.44Å; H194-Y238 AromaticContact NE2-CG 3.78Å; H194-Y238 AromaticContact NE2-CZ 3.81Å; F218-Y238 HydrophobicContact CE1-CD2 4.21Å; F218-Y238 HydrophobicContact CZ-CD2 4.37Å; F218-Y238 HydrophobicContact CZ-CE2 4.41Å; Y238-A242 HydrophobicContact CD2-CB 3.37Å; Y238-A242 HydrophobicContact CE2-CB 4.02Å; Y238-A242 HydrophobicContact CG-CB 3.77Å; Y238-F243 HydrophobicContact CE2-CD2 4.06Å; Y238-F243 AromaticContact CE2-CE2 3.87Å; Y238-F243 HydrophobicContact CE2-CE2 3.87Å; Y238-F243 AromaticContact CZ-CE2 3.97Å; Y238-F243 WeakPolarHBondContact OH-CE2 3.44Å; Y238-I251 HydrophobicContact CD2-CD1 4.36Å; Y238-G262 PolarHBondContact O-N 2.95Å |
| 239 | G | 95.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 41 Ų | 41 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 163.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D54 L241 A242 G262 | D54-G239 PolarHBondContact OD2-N 3.19Å; G239-L241 PolarHBondContact O-N 3.34Å; G239-A242 PolarHBondContact O-N 3.09Å; G239-G262 VanDerWaalsContact CA-CA 3.49Å; G239-G262 VanDerWaalsContact N-CA 3.35Å |
| 240 | R | 95.5 | Very high | 95.3 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.6 | -179.7 | -70.1 | 176.6 | 175.5 | -109.6 | -3.2 | 113.6 | P249 T250 I251 P257 V259 I261 | R240-P249 HydrophobicContact CB-CB 4.47Å; R240-P249 CarbonylContact O-C 3.57Å; R240-P249 VanDerWaalsContact O-CA 3.25Å; R240-P249 WeakPolarHBondContact O-CA 3.44Å; R240-T250 PolarHBondContact O-N 2.83Å; R240-T250 PolarHBondContact O-OG1 3.29Å; R240-I251 PolarHBondContact O-N 2.03Å; R240-P257 VanDerWaalsContact CZ-O 3.29Å; R240-P257 PolarHBondContact NH1-O 3.09Å; R240-P257 PolarHBondContact NH2-O 2.79Å; R240-V259 PolarHBondContact NH2-O 2.96Å; R240-I261 HydrophobicContact CG-CD1 3.74Å; R240-I261 HydrophobicContact CG-CG1 3.56Å |
| 241 | L | 94.5 | Very high | 95.3 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 34% | 0.34 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 11 | -172.7 | -56.5 | -179.1 | 0 | 0 | 0 | 113.2 | G239 F243 S244 G247 | G239-L241 PolarHBondContact O-N 3.34Å; L241-F243 PolarHBondContact O-N 3.2Å; L241-S244 VanDerWaalsContact O-CB 3.27Å; L241-S244 WeakPolarHBondContact O-CB 3.21Å; L241-S244 PolarHBondContact O-N 3.38Å; L241-S244 VanDerWaalsContact O-N 3.07Å; L241-G247 WeakPolarHBondContact CD2-O 3.46Å |
| 242 | A | 94.4 | Very high | 95.4 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 127.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P56 F218 Y238 G239 S244 T250 | P56-A242 HydrophobicContact CB-CB 4.46Å; P56-A242 HydrophobicContact CG-CB 4.1Å; F218-A242 HydrophobicContact CZ-CB 4.38Å; F218-A242 WeakPolarHBondContact CZ-O 3.37Å; Y238-A242 HydrophobicContact CD2-CB 3.37Å; Y238-A242 HydrophobicContact CE2-CB 4.02Å; Y238-A242 HydrophobicContact CG-CB 3.77Å; G239-A242 PolarHBondContact O-N 3.09Å; A242-S244 PolarHBondContact O-N 3.04Å; A242-T250 WeakPolarHBondContact O-CB 3.04Å; A242-T250 VanDerWaalsContact O-CG2 3.29Å; A242-T250 WeakPolarHBondContact O-CG2 3.25Å; A242-T250 PolarHBondContact O-OG1 2.82Å |
| 243 | F | 93.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 32.4 | -176.3 | -55.6 | -66.7 | 0 | 0 | 0 | 115.4 | P56 I63 I210 L211 F214 N217 F218 Y238 L241 | P56-F243 HydrophobicContact CB-CD1 4.31Å; P56-F243 HydrophobicContact CB-CD2 4.2Å; P56-F243 HydrophobicContact CB-CE1 3.89Å; P56-F243 HydrophobicContact CB-CE2 3.79Å; P56-F243 HydrophobicContact CB-CG 4.46Å; P56-F243 HydrophobicContact CB-CZ 3.63Å; P56-F243 HydrophobicContact CG-CE2 4.06Å; P56-F243 HydrophobicContact CG-CZ 4.25Å; I63-F243 HydrophobicContact CD1-CE1 3.84Å; I63-F243 HydrophobicContact CD1-CZ 3.93Å; I210-F243 CarbonylContact C-O 3.56Å; I210-F243 WeakPolarHBondContact CA-O 3.46Å; I210-F243 HydrophobicContact CG2-CB 4.3Å; L211-F243 HydrophobicContact CD1-CB 4.49Å; L211-F243 WeakPolarHBondContact CG-O 3.03Å; L211-F243 PolarHBondContact N-O 3.1Å; F214-F243 HydrophobicContact CB-CB 4.09Å; F214-F243 HydrophobicContact CB-CD1 4.27Å; F214-F243 HydrophobicContact CB-CG 4.14Å; F214-F243 AromaticContact CD1-CD1 3.25Å; F214-F243 HydrophobicContact CD1-CD1 3.25Å; F214-F243 AromaticContact CD1-CE1 3.42Å; F214-F243 HydrophobicContact CD1-CE1 3.42Å; F214-F243 VanDerWaalsContact CD1-CE1 3.42Å; F214-F243 AromaticContact CD1-CG 3.96Å; F214-F243 HydrophobicContact CD1-CG 3.96Å; F214-F243 HydrophobicContact CD1-CZ 4.21Å; F214-F243 AromaticContact CE1-CD1 3.78Å; F214-F243 HydrophobicContact CE1-CD1 3.78Å; F214-F243 AromaticContact CE1-CE1 3.7Å; F214-F243 HydrophobicContact CE1-CE1 3.7Å; F214-F243 AromaticContact CG-CD1 3.99Å; F214-F243 HydrophobicContact CG-CD1 3.99Å; F214-F243 HydrophobicContact CG-CG 4.37Å; N217-F243 HydrophobicContact CB-CD2 4.03Å; N217-F243 HydrophobicContact CB-CE2 3.69Å; F218-F243 HydrophobicContact CE2-CB 3.96Å; F218-F243 AromaticContact CE2-CD2 3.77Å; F218-F243 HydrophobicContact CE2-CD2 3.77Å; F218-F243 HydrophobicContact CE2-CG 4.32Å; F218-F243 HydrophobicContact CZ-CB 4.19Å; F218-F243 HydrophobicContact CZ-CD2 4.04Å; Y238-F243 HydrophobicContact CE2-CD2 4.06Å; Y238-F243 AromaticContact CE2-CE2 3.87Å; Y238-F243 HydrophobicContact CE2-CE2 3.87Å; Y238-F243 AromaticContact CZ-CE2 3.97Å; Y238-F243 WeakPolarHBondContact OH-CE2 3.44Å; L241-F243 PolarHBondContact O-N 3.2Å |
| 244 | S | 93.9 | Very high | 95.4 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 126.8 | 178.6 | 144.1 | 0 | 0 | 0 | 0 | 111.9 | E209 L241 A242 R246 G247 L248 | E209-S244 CarbonylContact O-C 3.59Å; E209-S244 WeakPolarHBondContact O-CA 3.34Å; L241-S244 VanDerWaalsContact O-CB 3.27Å; L241-S244 WeakPolarHBondContact O-CB 3.21Å; L241-S244 PolarHBondContact O-N 3.38Å; L241-S244 VanDerWaalsContact O-N 3.07Å; A242-S244 PolarHBondContact O-N 3.04Å; S244-R246 PolarHBondContact OG-N 2.89Å; S244-G247 WeakPolarHBondContact OG-CA 3.35Å; S244-G247 PolarHBondContact OG-N 3.13Å; S244-L248 VanDerWaalsContact CB-O 3.31Å; S244-L248 WeakPolarHBondContact CB-O 3.4Å; S244-L248 PolarHBondContact OG-N 3.35Å; S244-L248 VanDerWaalsContact OG-N 3.13Å; S244-L248 PolarHBondContact OG-O 2.86Å |
| 245 | R | 90.3 | Very high | 95 | Very high | 123 Ų | 123 | 43.3 Ų | 43.3 | 46% | 0.464 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -69 | -30.7 | 175.1 | -179.3 | 175.3 | 54.1 | 169 | -3.4 | 114.4 | N208 E209 L211 | N208-R245 PolarHBondContact O-NH2 3.03Å; E209-R245 PolarHBondContact O-N 3.14Å; L211-R245 HydrophobicContact CD2-CB 4.06Å; L211-R245 HydrophobicContact CD2-CG 4.3Å; L211-R245 HydrophobicContact CG-CB 4.38Å |
| 246 | R | 91 | Very high | 94.5 | Very high | 149 Ų | 149 | 45 Ų | 45 | 56% | 0.562 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -133.5 | 20.1 | -165.7 | -56.8 | -167.9 | -64.5 | 164.4 | -2.8 | 115 | E209 S244 L248 | E209-R246 IonicContact OE1-CZ 2.66Å; E209-R246 IonicContact OE1-NH2 2.78Å; E209-R246 PolarHBondContact OE1-NH2 3.34Å; E209-R246 IonicContact OE2-CZ 3.61Å; E209-R246 VanDerWaalsContact OE2-CZ 3.31Å; E209-R246 IonicContact OE2-NE 2.85Å; E209-R246 PolarHBondContact OE2-NE 2.81Å; E209-R246 IonicContact OE2-NH2 3.49Å; E209-R246 PolarHBondContact OE2-NH2 3.36Å; S244-R246 PolarHBondContact OG-N 2.89Å; R246-L248 HydrophobicContact CB-CD1 4.38Å; R246-L248 HydrophobicContact CB-CG 4.33Å; R246-L248 PolarHBondContact O-N 2.73Å |
| 247 | G | 90.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 56% | 0.557 | 25% | 0.25 | S | C | * | . | S | Bend | trans | 64.4 | 17.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L241 S244 | L241-G247 WeakPolarHBondContact CD2-O 3.46Å; S244-G247 WeakPolarHBondContact OG-CA 3.35Å; S244-G247 PolarHBondContact OG-N 3.13Å |
| 248 | L | 94.5 | Very high | 93.7 | Very high | 75 Ų | 75 | 54.2 Ų | 54.2 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -102.8 | 150 | -178 | -66.9 | 178.5 | 0 | 0 | 0 | 111.2 | E209 S244 R246 T250 | E209-L248 HydrophobicContact CB-CB 4.35Å; E209-L248 HydrophobicContact CG-CB 3.99Å; S244-L248 VanDerWaalsContact CB-O 3.31Å; S244-L248 WeakPolarHBondContact CB-O 3.4Å; S244-L248 PolarHBondContact OG-N 3.35Å; S244-L248 VanDerWaalsContact OG-N 3.13Å; S244-L248 PolarHBondContact OG-O 2.86Å; R246-L248 HydrophobicContact CB-CD1 4.38Å; R246-L248 HydrophobicContact CB-CG 4.33Å; R246-L248 PolarHBondContact O-N 2.73Å; L248-T250 PolarHBondContact O-N 3.04Å |
| 249 | P | 95 | Very high | 93.5 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | trans | -59.8 | 120.6 | -176.4 | -25.9 | 35.4 | 0 | 0 | 0 | 113.6 | N206 R240 | N206-P249 WeakPolarHBondContact CB-O 3.46Å; N206-P249 PolarHBondContact ND2-O 3.06Å; R240-P249 HydrophobicContact CB-CB 4.47Å; R240-P249 CarbonylContact O-C 3.57Å; R240-P249 VanDerWaalsContact O-CA 3.25Å; R240-P249 WeakPolarHBondContact O-CA 3.44Å | ||
| 250 | T | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -81.2 | -24.8 | 167.3 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | V205 N206 E209 I210 R240 A242 L248 | V205-T250 CarbonylContact C-O 3.51Å; V205-T250 WeakPolarHBondContact CA-O 3.15Å; N206-T250 PolarHBondContact N-O 2.9Å; E209-T250 HydrophobicContact CB-CG2 4.32Å; I210-T250 HydrophobicContact CB-CG2 4.43Å; I210-T250 HydrophobicContact CG1-CG2 3.83Å; R240-T250 PolarHBondContact O-N 2.83Å; R240-T250 PolarHBondContact O-OG1 3.29Å; A242-T250 WeakPolarHBondContact O-CB 3.04Å; A242-T250 VanDerWaalsContact O-CG2 3.29Å; A242-T250 WeakPolarHBondContact O-CG2 3.25Å; A242-T250 PolarHBondContact O-OG1 2.82Å; L248-T250 PolarHBondContact O-N 3.04Å |
| 251 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.2 | 175.8 | -53.1 | 177.6 | 0 | 0 | 0 | 111 | H194 I203 F218 Y238 R240 I261 | H194-I251 HydrophobicContact CB-CD1 3.9Å; I203-I251 HydrophobicContact CB-CG2 3.85Å; I203-I251 HydrophobicContact CD1-CG2 3.72Å; I203-I251 HydrophobicContact CG1-CG2 4.4Å; I203-I251 HydrophobicContact CG2-CG2 3.83Å; F218-I251 HydrophobicContact CD1-CD1 4.44Å; F218-I251 HydrophobicContact CD1-CG1 4.33Å; F218-I251 HydrophobicContact CE1-CD1 4.01Å; F218-I251 HydrophobicContact CE1-CG1 3.88Å; Y238-I251 HydrophobicContact CD2-CD1 4.36Å; R240-I251 PolarHBondContact O-N 2.03Å; I251-I261 HydrophobicContact CB-CD1 3.97Å; I251-I261 HydrophobicContact CG2-CD1 3.68Å |
| 252 | T | 97.5 | Very high | 93.5 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.5 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | I203 R204 N206 | I203-T252 WeakPolarHBondContact CA-O 3.48Å; R204-T252 PolarHBondContact N-O 3.49Å; R204-T252 PolarHBondContact O-N 2.89Å; N206-T252 PolarHBondContact ND2-OG1 3.41Å |
| 253 | P | 97.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 136.3 | 170 | -25.9 | 37 | 0 | 0 | 0 | 112.7 | Y232 A256 V259 I261 | Y232-P253 HydrophobicContact CD1-CB 4.35Å; Y232-P253 HydrophobicContact CD1-CG 4.37Å; Y232-P253 HydrophobicContact CE1-CB 3.79Å; Y232-P253 HydrophobicContact CE1-CG 4.23Å; P253-A256 WeakPolarHBondContact CB-O 3.35Å; P253-V259 HydrophobicContact CB-CG1 3.74Å; P253-V259 HydrophobicContact CG-CG1 3.7Å; P253-I261 HydrophobicContact CG-CD1 4.26Å; P253-I261 HydrophobicContact CG-CG2 4.15Å |
| 254 | L | 97.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -82.1 | -49.6 | -174 | -68.3 | 174.8 | 0 | 0 | 0 | 113.1 | D200 Y202 R204 | D200-L254 WeakPolarHBondContact O-CD1 3.39Å; Y202-L254 WeakPolarHBondContact O-CB 3.17Å; Y202-L254 PolarHBondContact O-N 3.16Å; R204-L254 HydrophobicContact CB-CD2 4Å |
| 255 | W | 90.1 | Very high | 93.6 | Very high | 199 Ų | 199 | 64 Ų | 64 | 75% | 0.754 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -92.1 | -12.7 | -171.8 | -50.8 | 108.2 | 0 | 0 | 0 | 114.3 | R201 | R201-W255 PolarHBondContact O-NE1 3.35Š|
| 256 | A | 87 | Confident | 93.8 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | trans | -145.5 | 74.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P253 S258 V259 | P253-A256 WeakPolarHBondContact CB-O 3.35Å; A256-S258 PolarHBondContact O-N 3.12Å; A256-V259 HydrophobicContact CB-CB 3.95Å; A256-V259 HydrophobicContact CB-CG1 4.14Å; A256-V259 WeakPolarHBondContact O-CB 3.48Å; A256-V259 VanDerWaalsContact O-CG1 3.27Å; A256-V259 WeakPolarHBondContact O-CG1 3.38Å; A256-V259 PolarHBondContact O-N 3.44Å | ||
| 257 | P | 88.2 | Confident | 94.2 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -16.6 | -171.3 | -27.9 | 36.8 | 0 | 0 | 0 | 115.7 | R240 | R240-P257 VanDerWaalsContact CZ-O 3.29Å; R240-P257 PolarHBondContact NH1-O 3.09Å; R240-P257 PolarHBondContact NH2-O 2.79Å |
| 258 | S | 89.7 | Confident | 94.5 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 80% | 0.804 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -8.2 | 175.1 | 53.5 | 0 | 0 | 0 | 0 | 115.3 | A256 H260 | A256-S258 PolarHBondContact O-N 3.12Å; S258-H260 PolarHBondContact O-N 3.36Å |
| 259 | V | 94 | Very high | 94.7 | Very high | 46 Ų | 46 | 52.2 Ų | 52.2 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | trans | -62.4 | 134.8 | -177.3 | 75.1 | 0 | 0 | 0 | 0 | 111.1 | Y232 R240 P253 A256 I261 | Y232-V259 HydrophobicContact CD1-CG1 4.08Å; Y232-V259 HydrophobicContact CD2-CG1 3.91Å; Y232-V259 HydrophobicContact CD2-CG2 4.44Å; Y232-V259 HydrophobicContact CE1-CG1 4.49Å; Y232-V259 HydrophobicContact CE2-CG1 4.33Å; Y232-V259 HydrophobicContact CG-CG1 3.77Å; R240-V259 PolarHBondContact NH2-O 2.96Å; P253-V259 HydrophobicContact CB-CG1 3.74Å; P253-V259 HydrophobicContact CG-CG1 3.7Å; A256-V259 HydrophobicContact CB-CB 3.95Å; A256-V259 HydrophobicContact CB-CG1 4.14Å; A256-V259 WeakPolarHBondContact O-CB 3.48Å; A256-V259 VanDerWaalsContact O-CG1 3.27Å; A256-V259 WeakPolarHBondContact O-CG1 3.38Å; A256-V259 PolarHBondContact O-N 3.44Å; V259-I261 HydrophobicContact CG1-CG2 4.44Å | ||
| 260 | H | 92.8 | Very high | 94.8 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | trans | -69.2 | 138 | 176.6 | -173.7 | 76.2 | 0 | 0 | 0 | 110.4 | S258 W265 | S258-H260 PolarHBondContact O-N 3.36Å; H260-W265 AromaticContact CD2-CH2 3.57Å; H260-W265 AromaticContact CD2-CZ3 3.93Å; H260-W265 AromaticContact NE2-CH2 3.51Å | ||
| 261 | I | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -137 | 150.8 | 174.4 | 56.9 | 168.1 | 0 | 0 | 0 | 107.8 | Y232 R240 I251 P253 V259 | Y232-I261 HydrophobicContact CD1-CG2 3.79Å; Y232-I261 HydrophobicContact CG-CG2 4.19Å; R240-I261 HydrophobicContact CG-CD1 3.74Å; R240-I261 HydrophobicContact CG-CG1 3.56Å; I251-I261 HydrophobicContact CB-CD1 3.97Å; I251-I261 HydrophobicContact CG2-CD1 3.68Å; P253-I261 HydrophobicContact CG-CD1 4.26Å; P253-I261 HydrophobicContact CG-CG2 4.15Å; V259-I261 HydrophobicContact CG1-CG2 4.44Å | ||
| 262 | G | 95.9 | Very high | 94.8 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | trans | 91.7 | 16.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H237 Y238 G239 | H237-G262 WeakPolarHBondContact O-CA 3.42Å; Y238-G262 PolarHBondContact O-N 2.95Å; G239-G262 VanDerWaalsContact CA-CA 3.49Å; G239-G262 VanDerWaalsContact N-CA 3.35Å | ||
| 263 | Q | 95.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | trans | -61.7 | 141.3 | 179.5 | 73.9 | 84.2 | 10 | 0 | 0 | 111.3 | S233 W265 N266 | S233-Q263 VanDerWaalsContact O-CG 3.32Å; S233-Q263 WeakPolarHBondContact O-CG 3.45Å; S233-Q263 PolarHBondContact O-NE2 3.3Å; Q263-W265 HydrophobicContact CB-CD2 4.17Å; Q263-W265 HydrophobicContact CB-CE3 3.56Å; Q263-W265 HydrophobicContact CB-CH2 4.19Å; Q263-W265 HydrophobicContact CB-CZ3 3.57Å; Q263-W265 HydrophobicContact CG-CE3 4.36Å; Q263-N266 PolarHBondContact NE2-O 2.83Å; Q263-N266 PolarHBondContact OE1-O 3.06Å | ||
| 264 | R | 94.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 54 Ų | 54 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | trans | -133.7 | 47.6 | 175.4 | -64.9 | -64.9 | -176.6 | -79.1 | -1.8 | 110 | D54 G178 I179 V235 H237 | D54-R264 IonicContact OD1-CZ 3.7Å; D54-R264 IonicContact OD1-NE 2.74Å; D54-R264 IonicContact OD1-NH2 3.53Å; D54-R264 PolarHBondContact OD1-NH2 3.32Å; G178-R264 WeakPolarHBondContact CA-O 3.35Å; I179-R264 HydrophobicContact CG1-CB 4.29Å; I179-R264 HydrophobicContact CG1-CG 4.21Å; V235-R264 PolarHBondContact O-NH1 3.22Å; V235-R264 VanDerWaalsContact O-NH1 3.14Å; H237-R264 PolarHBondContact O-NH1 3.31Å; H237-R264 PolarHBondContact O-NH2 2.78Å | ||
| 265 | W | 93.3 | Very high | 94.7 | Very high | 181 Ų | 181 | 51.2 Ų | 51.2 | 69% | 0.686 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -103.9 | -51.6 | 179 | -54.3 | -51.3 | 0 | 0 | 0 | 112.1 | H260 Q263 | H260-W265 AromaticContact CD2-CH2 3.57Å; H260-W265 AromaticContact CD2-CZ3 3.93Å; H260-W265 AromaticContact NE2-CH2 3.51Å; Q263-W265 HydrophobicContact CB-CD2 4.17Å; Q263-W265 HydrophobicContact CB-CE3 3.56Å; Q263-W265 HydrophobicContact CB-CH2 4.19Å; Q263-W265 HydrophobicContact CB-CZ3 3.57Å; Q263-W265 HydrophobicContact CG-CE3 4.36Å |
| 266 | N | 95.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 44.6 Ų | 44.6 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -157.6 | 171.2 | -179.6 | -153.6 | -3.8 | 0 | 0 | 0 | 112.2 | E126 L181 Q263 | E126-N266 PolarHBondContact OE2-ND2 3.36Å; E126-N266 VanDerWaalsContact OE2-ND2 3.11Å; E126-N266 PolarHBondContact OE2-OD1 2.86Å; L181-N266 VanDerWaalsContact CD1-OD1 3.22Å; L181-N266 WeakPolarHBondContact CD1-OD1 3.4Å; Q263-N266 PolarHBondContact NE2-O 2.83Å; Q263-N266 PolarHBondContact OE1-O 3.06Å |
| 267 | L | 97.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | trans | -60.1 | 138 | 167.1 | -65.4 | 177.7 | 0 | 0 | 0 | 110.6 | E126 F127 L181 M185 V235 D271 I272 | E126-L267 HydrophobicContact CG-CD1 4.18Å; F127-L267 HydrophobicContact CD1-CD1 3.99Å; F127-L267 HydrophobicContact CE1-CD1 3.72Å; F127-L267 HydrophobicContact CE1-CD2 4.2Å; F127-L267 HydrophobicContact CE2-CD1 4.46Å; F127-L267 HydrophobicContact CG-CD1 4.47Å; F127-L267 HydrophobicContact CZ-CD1 3.99Å; F127-L267 HydrophobicContact CZ-CD2 3.97Å; F127-L267 HydrophobicContact CZ-CG 4.47Å; L181-L267 HydrophobicContact CB-CD2 4.15Å; L181-L267 HydrophobicContact CB-CG 4.43Å; L181-L267 HydrophobicContact CD1-CG 4.33Å; L181-L267 HydrophobicContact CD2-CD1 4.47Å; L181-L267 HydrophobicContact CD2-CG 4.23Å; M185-L267 HydrophobicContact CG-CD2 3.76Å; M185-L267 HydrophobicContact SD-CD2 4.09Å; V235-L267 HydrophobicContact CG1-CD2 3.96Å; L267-D271 HydrophobicContact CB-CB 4.27Å; L267-D271 HydrophobicContact CD2-CB 4.12Å; L267-I272 HydrophobicContact CB-CD1 4.3Å; L267-I272 HydrophobicContact CB-CG1 3.96Å; L267-I272 HydrophobicContact CD1-CG1 4Å | ||
| 268 | S | 97.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | trans | -76.1 | 165.1 | 168.6 | 93.1 | 0 | 0 | 0 | 0 | 111.5 | D231 S270 D271 I272 | D231-S268 WeakPolarHBondContact OD2-CB 3.41Å; D231-S268 PolarHBondContact OD2-OG 2.83Å; S268-S270 PolarHBondContact O-N 2.7Å; S268-S270 WeakPolarHBondContact OG-CA 3.4Å; S268-S270 VanDerWaalsContact OG-CB 3.28Å; S268-S270 WeakPolarHBondContact OG-CB 3.37Å; S268-S270 PolarHBondContact OG-N 3.2Å; S268-D271 PolarHBondContact N-OD2 3.45Å; S268-D271 PolarHBondContact O-N 2.9Å; S268-D271 VanDerWaalsContact O-N 3.17Å; S268-D271 PolarHBondContact OG-N 3.21Å; S268-D271 PolarHBondContact OG-OD2 2.84Å; S268-I272 PolarHBondContact O-N 3.11Å; S268-I272 VanDerWaalsContact O-N 3.08Å | ||
| 269 | A | 97.4 | Very high | 95.7 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 65% | 0.645 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.4 | -28.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T273 | A269-T273 VanDerWaalsContact O-CB 3.28Å; A269-T273 WeakPolarHBondContact O-CB 3.25Å; A269-T273 PolarHBondContact O-N 3.12Å; A269-T273 VanDerWaalsContact O-N 3.1Å; A269-T273 PolarHBondContact O-OG1 2.79Å |
| 270 | S | 97.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -44.9 | 173.3 | -155.5 | 0 | 0 | 0 | 0 | 110.7 | T228 D231 S268 T273 R274 | T228-S270 WeakPolarHBondContact CB-OG 3.34Å; T228-S270 PolarHBondContact OG1-OG 2.76Å; D231-S270 WeakPolarHBondContact OD2-CB 3.32Å; S268-S270 PolarHBondContact O-N 2.7Å; S268-S270 WeakPolarHBondContact OG-CA 3.4Å; S268-S270 VanDerWaalsContact OG-CB 3.28Å; S268-S270 WeakPolarHBondContact OG-CB 3.37Å; S268-S270 PolarHBondContact OG-N 3.2Å; S270-T273 CarbonylContact O-C 3.55Å; S270-T273 PolarHBondContact O-N 2.83Å; S270-R274 WeakPolarHBondContact O-CD 3.41Å; S270-R274 WeakPolarHBondContact O-CG 3.39Å; S270-R274 PolarHBondContact O-N 3.41Å; S270-R274 PolarHBondContact OG-NE 2.83Å; S270-R274 PolarHBondContact OG-NH2 3.28Å |
| 271 | D | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 178.1 | -61.7 | -32.9 | 0 | 0 | 0 | 111.7 | M185 S234 V235 L267 S268 T273 R274 V275 | M185-D271 HydrophobicContact CE-CB 3.79Å; M185-D271 HydrophobicContact SD-CB 4.36Å; S234-D271 WeakPolarHBondContact CA-OD2 3.3Å; S234-D271 WeakPolarHBondContact CB-OD1 3.27Å; S234-D271 PolarHBondContact OG-OD1 2.96Å; S234-D271 PolarHBondContact OG-OD2 3.03Å; V235-D271 PolarHBondContact N-OD2 2.81Å; L267-D271 HydrophobicContact CB-CB 4.27Å; L267-D271 HydrophobicContact CD2-CB 4.12Å; S268-D271 PolarHBondContact N-OD2 3.45Å; S268-D271 PolarHBondContact O-N 2.9Å; S268-D271 VanDerWaalsContact O-N 3.17Å; S268-D271 PolarHBondContact OG-N 3.21Å; S268-D271 PolarHBondContact OG-OD2 2.84Å; D271-T273 VanDerWaalsContact C-N 3.33Å; D271-T273 PolarHBondContact O-N 2.92Å; D271-R274 WeakPolarHBondContact O-CB 3.47Å; D271-R274 PolarHBondContact O-N 3.37Å; D271-R274 VanDerWaalsContact O-N 3.15Å; D271-R274 IonicContact OD1-NH1 3.52Å; D271-R274 PolarHBondContact OD1-NH1 3.2Å; D271-V275 WeakPolarHBondContact O-CG2 3.29Å; D271-V275 PolarHBondContact O-N 3.06Å |
| 272 | I | 97.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 18% | 0.179 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.9 | -64.2 | 166.3 | 0 | 0 | 0 | 110.4 | S130 T131 L267 S268 R274 V275 L276 | S130-I272 WeakPolarHBondContact O-CG2 3.33Å; T131-I272 HydrophobicContact CG2-CG2 4.29Å; L267-I272 HydrophobicContact CB-CD1 4.3Å; L267-I272 HydrophobicContact CB-CG1 3.96Å; L267-I272 HydrophobicContact CD1-CG1 4Å; S268-I272 PolarHBondContact O-N 3.11Å; S268-I272 VanDerWaalsContact O-N 3.08Å; I272-R274 VanDerWaalsContact C-N 3.29Å; I272-R274 PolarHBondContact O-N 3.22Å; I272-V275 PolarHBondContact O-N 3Å; I272-L276 HydrophobicContact CG2-CD1 4.02Å; I272-L276 HydrophobicContact CG2-CG 4.39Å; I272-L276 VanDerWaalsContact O-CG 3.31Å; I272-L276 WeakPolarHBondContact O-CG 3.48Å; I272-L276 PolarHBondContact O-N 2.6Å |
| 273 | T | 96.8 | Very high | 93 | Very high | 54 Ų | 54 | 46 Ų | 46 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 178.8 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | T228 A269 S270 D271 K277 | T228-T273 HydrophobicContact CG2-CG2 3.62Å; A269-T273 VanDerWaalsContact O-CB 3.28Å; A269-T273 WeakPolarHBondContact O-CB 3.25Å; A269-T273 PolarHBondContact O-N 3.12Å; A269-T273 VanDerWaalsContact O-N 3.1Å; A269-T273 PolarHBondContact O-OG1 2.79Å; S270-T273 CarbonylContact O-C 3.55Å; S270-T273 PolarHBondContact O-N 2.83Å; D271-T273 VanDerWaalsContact C-N 3.33Å; D271-T273 PolarHBondContact O-N 2.92Å; T273-K277 HydrophobicContact CG2-CD 4.16Å; T273-K277 HydrophobicContact CG2-CG 4.45Å; T273-K277 WeakPolarHBondContact O-CB 3.48Å; T273-K277 VanDerWaalsContact O-CG 3.31Å; T273-K277 WeakPolarHBondContact O-CG 3.35Å; T273-K277 PolarHBondContact O-N 2.97Å |
| 274 | R | 96.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 175.7 | -71.6 | 160.4 | -174.2 | -179 | -7.6 | 111.2 | F190 E193 L227 T228 P229 S234 S270 D271 I272 K277 L278 | F190-R274 HydrophobicContact CD1-CB 4.32Å; F190-R274 HydrophobicContact CE1-CB 3.6Å; F190-R274 HydrophobicContact CZ-CB 3.85Å; E193-R274 IonicContact OE1-CZ 3.6Å; E193-R274 IonicContact OE1-NH1 3.78Å; E193-R274 IonicContact OE1-NH2 3.34Å; E193-R274 PolarHBondContact OE1-NH2 3.47Å; E193-R274 IonicContact OE2-CZ 2.78Å; E193-R274 IonicContact OE2-NH1 3.38Å; E193-R274 PolarHBondContact OE2-NH1 2.83Å; E193-R274 IonicContact OE2-NH2 3.53Å; E193-R274 PolarHBondContact OE2-NH2 2.72Å; L227-R274 HydrophobicContact CB-CG 4.44Å; T228-R274 HydrophobicContact CG2-CG 3.88Å; T228-R274 PolarHBondContact OG1-NE 3.15Å; T228-R274 PolarHBondContact OG1-NH2 2.81Å; P229-R274 PolarHBondContact O-NH2 3.45Å; P229-R274 VanDerWaalsContact O-NH2 3.13Å; S234-R274 PolarHBondContact OG-NH1 3.19Å; S270-R274 WeakPolarHBondContact O-CD 3.41Å; S270-R274 WeakPolarHBondContact O-CG 3.39Å; S270-R274 PolarHBondContact O-N 3.41Å; S270-R274 PolarHBondContact OG-NE 2.83Å; S270-R274 PolarHBondContact OG-NH2 3.28Å; D271-R274 WeakPolarHBondContact O-CB 3.47Å; D271-R274 PolarHBondContact O-N 3.37Å; D271-R274 VanDerWaalsContact O-N 3.15Å; D271-R274 IonicContact OD1-NH1 3.52Å; D271-R274 PolarHBondContact OD1-NH1 3.2Å; I272-R274 VanDerWaalsContact C-N 3.29Å; I272-R274 PolarHBondContact O-N 3.22Å; R274-K277 PolarHBondContact O-N 2.84Å; R274-L278 VanDerWaalsContact O-CB 3.28Å; R274-L278 WeakPolarHBondContact O-CB 3.27Å; R274-L278 PolarHBondContact O-N 3.18Å |
| 275 | V | 96.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | F127 T131 V133 M185 L188 F190 D271 I272 K277 L278 Y279 | F127-V275 HydrophobicContact CE1-CG2 4.27Å; T131-V275 HydrophobicContact CG2-CB 3.98Å; T131-V275 HydrophobicContact CG2-CG1 3.76Å; V133-V275 HydrophobicContact CG2-CG1 3.75Å; M185-V275 HydrophobicContact SD-CG2 3.67Å; L188-V275 HydrophobicContact CD1-CG1 4.17Å; L188-V275 HydrophobicContact CD1-CG2 4.12Å; F190-V275 HydrophobicContact CE2-CB 4.43Å; F190-V275 HydrophobicContact CE2-CG2 3.71Å; F190-V275 HydrophobicContact CZ-CG2 4.3Å; D271-V275 WeakPolarHBondContact O-CG2 3.29Å; D271-V275 PolarHBondContact O-N 3.06Å; I272-V275 PolarHBondContact O-N 3Å; V275-K277 VanDerWaalsContact C-N 3.32Å; V275-K277 PolarHBondContact O-N 3.07Å; V275-L278 PolarHBondContact O-N 2.92Å; V275-Y279 HydrophobicContact CG1-CD2 4.12Å; V275-Y279 PolarHBondContact O-N 3.07Å; V275-Y279 VanDerWaalsContact O-N 3.16Å |
| 276 | L | 95 | Very high | 85.8 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.5 | -45.1 | 179.2 | -68.2 | 171.9 | 0 | 0 | 0 | 112 | I272 G280 C281 | I272-L276 HydrophobicContact CG2-CD1 4.02Å; I272-L276 HydrophobicContact CG2-CG 4.39Å; I272-L276 VanDerWaalsContact O-CG 3.31Å; I272-L276 WeakPolarHBondContact O-CG 3.48Å; I272-L276 PolarHBondContact O-N 2.6Å; L276-G280 PolarHBondContact O-N 3.05Å; L276-G280 VanDerWaalsContact O-N 3.11Å; L276-C281 HydrophobicContact CB-CB 4.32Å; L276-C281 HydrophobicContact CD2-CB 3.46Å; L276-C281 VanDerWaalsContact CD2-CB 3.46Å; L276-C281 HydrophobicContact CG-CB 4.49Å; L276-C281 PolarHBondContact O-N 2.91Å |
| 277 | K | 94.6 | Very high | 83.1 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.5 | -41 | 177.7 | -74.4 | -179.8 | -179.5 | -169.2 | 0 | 113.4 | L227 T273 R274 V275 Y279 G280 | L227-K277 HydrophobicContact CB-CB 4.25Å; L227-K277 HydrophobicContact CB-CD 4.08Å; L227-K277 HydrophobicContact CD1-CB 4.08Å; L227-K277 VanDerWaalsContact O-CD 3.23Å; L227-K277 WeakPolarHBondContact O-CD 3.44Å; L227-K277 PolarHBondContact O-NZ 2.92Å; T273-K277 HydrophobicContact CG2-CD 4.16Å; T273-K277 HydrophobicContact CG2-CG 4.45Å; T273-K277 WeakPolarHBondContact O-CB 3.48Å; T273-K277 VanDerWaalsContact O-CG 3.31Å; T273-K277 WeakPolarHBondContact O-CG 3.35Å; T273-K277 PolarHBondContact O-N 2.97Å; R274-K277 PolarHBondContact O-N 2.84Å; V275-K277 VanDerWaalsContact C-N 3.32Å; V275-K277 PolarHBondContact O-N 3.07Å; K277-Y279 VanDerWaalsContact C-N 3.29Å; K277-Y279 PolarHBondContact O-N 3.22Å; K277-G280 PolarHBondContact O-N 3.03Å |
| 278 | L | 93.8 | Very high | 80.3 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.5 | -37 | -176.2 | -174.2 | 69.1 | 0 | 0 | 0 | 111.6 | K93 L188 F190 L227 R274 V275 | K93-L278 HydrophobicContact CD-CG 4.44Å; K93-L278 PolarHBondContact NZ-O 3.28Å; L188-L278 WeakPolarHBondContact O-CD2 3.47Å; F190-L278 HydrophobicContact CE1-CB 4.38Å; F190-L278 HydrophobicContact CE1-CD2 3.93Å; F190-L278 HydrophobicContact CE2-CD2 3.82Å; F190-L278 HydrophobicContact CZ-CB 3.77Å; F190-L278 HydrophobicContact CZ-CD2 3.4Å; F190-L278 VanDerWaalsContact CZ-CD2 3.4Å; F190-L278 HydrophobicContact CZ-CG 4.16Å; L227-L278 HydrophobicContact CD1-CB 3.73Å; L227-L278 HydrophobicContact CD1-CD1 3.99Å; L227-L278 HydrophobicContact CD1-CG 4.48Å; R274-L278 VanDerWaalsContact O-CB 3.28Å; R274-L278 WeakPolarHBondContact O-CB 3.27Å; R274-L278 PolarHBondContact O-N 3.18Å; V275-L278 PolarHBondContact O-N 2.92Å |
| 279 | Y | 93.9 | Very high | 77.6 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 5% | 0.047 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -100.6 | -2.2 | -176.7 | -73.4 | -76.6 | 0 | 0 | 0 | 114.7 | K93 W94 V102 L188 V275 K277 C281 | K93-Y279 HydrophobicContact CB-CE1 4.13Å; W94-Y279 HydrophobicContact CB-CE1 4.14Å; V102-Y279 HydrophobicContact CB-CD1 4.22Å; V102-Y279 HydrophobicContact CG1-CD1 3.8Å; V102-Y279 HydrophobicContact CG1-CE1 3.68Å; V102-Y279 HydrophobicContact CG1-CG 4.48Å; V102-Y279 HydrophobicContact CG2-CD1 3.42Å; V102-Y279 VanDerWaalsContact CG2-CD1 3.42Å; V102-Y279 HydrophobicContact CG2-CE1 4.19Å; V102-Y279 HydrophobicContact CG2-CG 3.77Å; L188-Y279 HydrophobicContact CB-CE2 4.21Å; L188-Y279 HydrophobicContact CD2-CE2 3.99Å; L188-Y279 PolarHBondContact O-OH 2.93Å; V275-Y279 HydrophobicContact CG1-CD2 4.12Å; V275-Y279 PolarHBondContact O-N 3.07Å; V275-Y279 VanDerWaalsContact O-N 3.16Å; K277-Y279 VanDerWaalsContact C-N 3.29Å; K277-Y279 PolarHBondContact O-N 3.22Å; Y279-C281 VanDerWaalsContact C-N 3.29Å; Y279-C281 PolarHBondContact O-N 3.07Å |
| 280 | G | 92.3 | Very high | 74.8 | Confident | 54 Ų | 54 | 73 Ų | 73 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 32.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L276 K277 S282 | L276-G280 PolarHBondContact O-N 3.05Å; L276-G280 VanDerWaalsContact O-N 3.11Å; K277-G280 PolarHBondContact O-N 3.03Å; G280-S282 PolarHBondContact O-N 3.05Å; G280-S282 VanDerWaalsContact O-N 3.07Å |
| 281 | C | 89.3 | Confident | 72.2 | Confident | 16 Ų | 16 | 84 Ų | 84 | 11% | 0.108 | 47% | 0.465 | C | S | . | . | trans | -58.6 | 113.7 | -178.7 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | C132 L276 Y279 | C132-C281 HydrophobicContact CB-CB 3.62Å; C132-C281 WeakPolarHBondContact CB-SG 3.47Å; C132-C281 PolarHBondContact N-SG 2.92Å; C132-C281 WeakPolarHBondContact SG-CA 3.16Å; C132-C281 WeakPolarHBondContact SG-CB 3.28Å; C132-C281 CovalentContact SG-SG 2.03Å; C132-C281 PolarHBondContact SG-SG 3.2Å; L276-C281 HydrophobicContact CB-CB 4.32Å; L276-C281 HydrophobicContact CD2-CB 3.46Å; L276-C281 VanDerWaalsContact CD2-CB 3.46Å; L276-C281 HydrophobicContact CG-CB 4.49Å; L276-C281 PolarHBondContact O-N 2.91Å; Y279-C281 VanDerWaalsContact C-N 3.29Å; Y279-C281 PolarHBondContact O-N 3.07Å | ||
| 282 | S | 79.9 | Confident | 69.5 | Low | 78 Ų | 78 | 87 Ų | 87 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | trans | -64.6 | 138.4 | 176.2 | -69.4 | 0 | 0 | 0 | 0 | 111 | G280 S284 | G280-S282 PolarHBondContact O-N 3.05Å; G280-S282 VanDerWaalsContact O-N 3.07Å; S282-S284 PolarHBondContact O-N 3.14Å | ||
| 283 | P | 61.1 | Low | 66.9 | Low | 131 Ų | 131 | 91 Ų | 91 | 85% | 0.851 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -68.5 | 3.7 | 175.4 | 29.1 | -35.6 | 0 | 0 | 0 | 113.7 | ||
| 284 | S | 46.3 | Very low | 64 | Low | 90 Ų | 90 | 97.4 Ų | 97.4 | 63% | 0.629 | 55% | 0.553 | S | S | * | * | trans | -107.2 | 69.8 | -179.5 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | S282 | S282-S284 PolarHBondContact O-N 3.14Š| ||
| 285 | G | 45.7 | Very low | 61.6 | Low | 50 Ų | 50 | 101.6 Ų | 101.6 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -60.4 | 157.7 | 137.4 | 0 | 0 | 0 | 0 | 0 | 109 | R287 | G285-R287 PolarHBondContact O-N 3.01Š|
| 286 | P | 38.4 | Very low | 58.6 | Low | 135 Ų | 135 | 110 Ų | 110 | 88% | 0.877 | 63% | 0.629 | S | S | * | * | trans | -61.8 | 102.4 | -176.6 | 25.4 | -33.8 | 0 | 0 | 0 | 110.4 | P288 | P286-P288 WeakPolarHBondContact O-CD 3.49Š| ||
| 287 | R | 39.5 | Very low | 56.2 | Low | 216 Ų | 216 | 113.1 Ų | 113.1 | 82% | 0.815 | 66% | 0.656 | S | S | * | * | trans | -61.3 | 123.9 | 162.8 | -72.3 | -174.3 | 176.8 | -168.8 | -1.2 | 106.6 | G285 R289 | G285-R287 PolarHBondContact O-N 3.01Å; R287-R289 PolarHBondContact O-N 3.02Å | ||
| 288 | P | 39.6 | Very low | 53.5 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 81% | 0.805 | 67% | 0.669 | S | S | * | * | trans | -52.9 | 133.1 | 166.3 | -22 | 32.9 | 0 | 0 | 0 | 108 | P286 G290 | P286-P288 WeakPolarHBondContact O-CD 3.49Å; P288-G290 PolarHBondContact O-N 2.89Å | ||
| 289 | R | 40.4 | Very low | 50.9 | Low | 255 Ų | 255 | 116.5 Ų | 116.5 | 96% | 0.962 | 70% | 0.702 | S | S | * | * | trans | -72.6 | 69.4 | 176.1 | -72.5 | -172.3 | 178.1 | -166.2 | 1.4 | 109.9 | R287 R291 | R287-R289 PolarHBondContact O-N 3.02Å; R289-R291 PolarHBondContact O-N 2.79Å; R289-R291 VanDerWaalsContact O-N 3.16Å | ||
| 290 | G | 38 | Very low | 48 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | -68.1 | 105 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P288 G292 | P288-G290 PolarHBondContact O-N 2.89Å; G290-G292 PolarHBondContact O-N 3.33Å | ||
| 291 | R | 44.3 | Very low | 45.2 | Very low | 249 Ų | 249 | 130.1 Ų | 130.1 | 94% | 0.94 | 75% | 0.753 | S | S | * | * | trans | -56.4 | 128.5 | 165.4 | -175.4 | 178.2 | -75.5 | -141.1 | -1 | 107.4 | R289 | R289-R291 PolarHBondContact O-N 2.79Å; R289-R291 VanDerWaalsContact O-N 3.16Å | ||
| 292 | G | 40 | Very low | 42.8 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | -71.4 | 152.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G290 | G290-G292 PolarHBondContact O-N 3.33Š| ||
| 293 | S | 43.4 | Very low | 41.1 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 165.4 | 137.9 | 139.9 | -76.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 294 | Q | 36 | Very low | 40.7 | Very low | 189 Ų | 189 | 132.2 Ų | 132.2 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | 67.8 | 133 | 166.4 | -62 | -171.9 | -6.4 | 0 | 0 | 119.1 | ||||
| 295 | A | 44.8 | Very low | 41.5 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | -85.3 | 124 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 296 | H | 34.9 | Very low | 42.6 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 82% | 0.819 | 72% | 0.718 | S | S | * | * | trans | -133.3 | 137.2 | 150.4 | -100.2 | -74.4 | 0 | 0 | 0 | 109.3 | T298 | H296-T298 PolarHBondContact O-N 3.31Å; H296-T298 VanDerWaalsContact O-N 3.13Å | ||
| 297 | S | 44.3 | Very low | 44.2 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | trans | -73.5 | 97.5 | 179.6 | 166.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 298 | T | 36.7 | Very low | 45.8 | Very low | 128 Ų | 128 | 117.6 Ų | 117.6 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -130.2 | 149.7 | 162.9 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | H296 R300 | H296-T298 PolarHBondContact O-N 3.31Å; H296-T298 VanDerWaalsContact O-N 3.13Å; T298-R300 PolarHBondContact O-N 3.3Å | ||
| 299 | G | 40.2 | Very low | 47.7 | Very low | 74 Ų | 74 | 111.9 Ų | 111.9 | 76% | 0.763 | 65% | 0.649 | S | S | * | * | trans | -54.2 | 130.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S301 | G299-S301 PolarHBondContact O-N 2.82Å; G299-S301 VanDerWaalsContact O-N 3.09Å | ||
| 300 | R | 32.2 | Very low | 49.5 | Very low | 246 Ų | 246 | 102.3 Ų | 102.3 | 93% | 0.928 | 62% | 0.615 | S | S | * | * | trans | -70 | 101.9 | 174.2 | -176.9 | 179.4 | -175.5 | -179 | -0.3 | 109.5 | T298 | T298-R300 PolarHBondContact O-N 3.3Š| ||
| 301 | S | 33.9 | Very low | 51.4 | Low | 106 Ų | 106 | 105.9 Ų | 105.9 | 74% | 0.741 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -53 | 129.5 | 169.3 | -57.4 | 0 | 0 | 0 | 0 | 109.8 | G299 | G299-S301 PolarHBondContact O-N 2.82Å; G299-S301 VanDerWaalsContact O-N 3.09Å |
| 302 | P | 38.3 | Very low | 53.1 | Low | 82 Ų | 82 | 97 Ų | 97 | 53% | 0.532 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 155 | -179.4 | 28.1 | -33.9 | 0 | 0 | 0 | 110.6 | R129 L304 | R129-P302 HydrophobicContact CG-CB 4.42Å; P302-L304 PolarHBondContact O-N 2.81Å |
| 303 | A | 44.9 | Very low | 55.2 | Low | 63 Ų | 63 | 94.9 Ų | 94.9 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 121.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||
| 304 | L | 53.1 | Low | 57 | Low | 124 Ų | 124 | 94.6 Ų | 94.6 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 154.5 | 178 | -79.8 | 85.6 | 0 | 0 | 0 | 110.4 | P302 | P302-L304 PolarHBondContact O-N 2.81Š|
| 305 | A | 61.9 | Low | 59.1 | Low | 14 Ų | 14 | 88.3 Ų | 88.3 | 12% | 0.116 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 165 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A125 L309 Q310 | A125-A305 HydrophobicContact CB-CB 4.35Å; A305-L309 HydrophobicContact CB-CB 4.31Å; A305-L309 HydrophobicContact CB-CD2 4.28Å; A305-L309 HydrophobicContact CB-CG 4.38Å; A305-Q310 HydrophobicContact CB-CB 4.36Å |
| 306 | S | 69.8 | Low | 60.7 | Low | 14 Ų | 14 | 85 Ų | 85 | 10% | 0.098 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 142.5 | 169.3 | 59.1 | 0 | 0 | 0 | 0 | 109.9 | E128 S308 L309 Q310 | E128-S306 PolarHBondContact OE1-OG 3.29Å; E128-S306 VanDerWaalsContact OE2-CB 3.27Å; E128-S306 WeakPolarHBondContact OE2-CB 3.5Å; E128-S306 PolarHBondContact OE2-N 3.07Å; E128-S306 PolarHBondContact OE2-OG 3.08Å; S306-S308 PolarHBondContact O-N 3.2Å; S306-S308 VanDerWaalsContact O-N 3.07Å; S306-S308 PolarHBondContact OG-OG 3.13Å; S306-L309 PolarHBondContact O-N 3.29Å; S306-L309 VanDerWaalsContact OG-CB 3.28Å; S306-L309 WeakPolarHBondContact OG-CB 3.3Å; S306-L309 PolarHBondContact OG-N 2.88Å; S306-Q310 WeakPolarHBondContact O-CB 3.44Å; S306-Q310 PolarHBondContact O-N 3.32Å |
| 307 | P | 72.7 | Confident | 62.8 | Low | 111 Ų | 111 | 78.6 Ų | 78.6 | 72% | 0.721 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -53.5 | -34.8 | -178.1 | -28.7 | 35.6 | 0 | 0 | 0 | 113.3 | Q311 | P307-Q311 VanDerWaalsContact O-CB 3.23Å; P307-Q311 WeakPolarHBondContact O-CB 3.42Å; P307-Q311 PolarHBondContact O-N 3.41Å |
| 308 | S | 71.9 | Confident | 64.2 | Low | 45 Ų | 45 | 75.3 Ų | 75.3 | 32% | 0.315 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.3 | 41.1 | 0 | 0 | 0 | 0 | 114.1 | S306 L312 | S306-S308 PolarHBondContact O-N 3.2Å; S306-S308 VanDerWaalsContact O-N 3.07Å; S306-S308 PolarHBondContact OG-OG 3.13Å; S308-L312 PolarHBondContact O-N 3.17Å |
| 309 | L | 79.9 | Confident | 65.9 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.016 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -77.9 | -37.8 | 179.7 | -176.9 | 60.2 | 0 | 0 | 0 | 111.3 | L121 L124 A125 E128 A305 S306 L312 L313 | L121-L309 HydrophobicContact CB-CD1 4.07Å; L121-L309 HydrophobicContact CD2-CD1 3.67Å; L121-L309 HydrophobicContact CG-CD1 4.41Å; L124-L309 HydrophobicContact CB-CD1 4.29Å; L124-L309 HydrophobicContact CB-CD2 3.73Å; L124-L309 HydrophobicContact CD1-CD1 4.13Å; A125-L309 HydrophobicContact CB-CD2 3.83Å; E128-L309 HydrophobicContact CG-CD2 4.16Å; E128-L309 WeakPolarHBondContact OE2-CD2 3.49Å; A305-L309 HydrophobicContact CB-CB 4.31Å; A305-L309 HydrophobicContact CB-CD2 4.28Å; A305-L309 HydrophobicContact CB-CG 4.38Å; S306-L309 PolarHBondContact O-N 3.29Å; S306-L309 VanDerWaalsContact OG-CB 3.28Å; S306-L309 WeakPolarHBondContact OG-CB 3.3Å; S306-L309 PolarHBondContact OG-N 2.88Å; L309-L312 PolarHBondContact O-N 2.83Å; L309-L313 HydrophobicContact CG-CD1 4.32Å; L309-L313 WeakPolarHBondContact O-CG 3.31Å; L309-L313 PolarHBondContact O-N 3.27Å |
| 310 | Q | 77.6 | Confident | 67.1 | Low | 55 Ų | 55 | 75.9 Ų | 75.9 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 173.8 | -171.9 | 65.9 | 35.2 | 0 | 0 | 110.8 | A305 S306 L312 L313 E314 | A305-Q310 HydrophobicContact CB-CB 4.36Å; S306-Q310 WeakPolarHBondContact O-CB 3.44Å; S306-Q310 PolarHBondContact O-N 3.32Å; Q310-L312 VanDerWaalsContact C-N 3.29Å; Q310-L312 PolarHBondContact O-N 3.12Å; Q310-L313 PolarHBondContact O-N 3.18Å; Q310-E314 WeakPolarHBondContact CG-OE1 3.33Å; Q310-E314 PolarHBondContact NE2-OE1 2.79Å; Q310-E314 WeakPolarHBondContact O-CB 3.43Å; Q310-E314 WeakPolarHBondContact O-CG 3.48Å; Q310-E314 PolarHBondContact O-N 3.44Å |
| 311 | Q | 79.7 | Confident | 68.7 | Low | 141 Ų | 141 | 73.8 Ų | 73.8 | 66% | 0.659 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.9 | -36.1 | 175.1 | -174.6 | 178.3 | 7.3 | 0 | 0 | 112.5 | P307 A315 | P307-Q311 VanDerWaalsContact O-CB 3.23Å; P307-Q311 WeakPolarHBondContact O-CB 3.42Å; P307-Q311 PolarHBondContact O-N 3.41Å; Q311-A315 WeakPolarHBondContact O-CB 3.42Å; Q311-A315 PolarHBondContact O-N 2.72Å |
| 312 | L | 79.6 | Confident | 69.4 | Low | 62 Ų | 62 | 72.8 Ų | 72.8 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 177.2 | -131.5 | 78.3 | 0 | 0 | 0 | 112.1 | L121 S308 L309 Q310 A315 L316 | L121-L312 HydrophobicContact CD1-CB 4.25Å; L121-L312 HydrophobicContact CD1-CD2 3.82Å; L121-L312 HydrophobicContact CD1-CG 4.28Å; L121-L312 HydrophobicContact CD2-CD2 3.62Å; L121-L312 HydrophobicContact CG-CD2 4.38Å; S308-L312 PolarHBondContact O-N 3.17Å; L309-L312 PolarHBondContact O-N 2.83Å; Q310-L312 VanDerWaalsContact C-N 3.29Å; Q310-L312 PolarHBondContact O-N 3.12Å; L312-A315 PolarHBondContact O-N 3.04Å; L312-L316 WeakPolarHBondContact O-CG 3.34Å; L312-L316 PolarHBondContact O-N 2.89Å |
| 313 | L | 82.6 | Confident | 69.8 | Low | 21 Ų | 21 | 74.6 Ų | 74.6 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 175.3 | -73.2 | 165.1 | 0 | 0 | 0 | 111.9 | L121 E122 A125 L309 Q310 S317 | L121-L313 HydrophobicContact CB-CD2 3.58Å; L121-L313 HydrophobicContact CB-CG 4.14Å; E122-L313 HydrophobicContact CG-CD2 4.37Å; A125-L313 HydrophobicContact CB-CD1 4.17Å; L309-L313 HydrophobicContact CG-CD1 4.32Å; L309-L313 WeakPolarHBondContact O-CG 3.31Å; L309-L313 PolarHBondContact O-N 3.27Å; Q310-L313 PolarHBondContact O-N 3.18Å; L313-S317 VanDerWaalsContact O-CB 3.31Å; L313-S317 WeakPolarHBondContact O-CB 3.33Å; L313-S317 PolarHBondContact O-N 3.36Å; L313-S317 PolarHBondContact O-OG 2.73Å |
| 314 | E | 83 | Confident | 69.6 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 177.2 | -76 | 171.1 | -169.3 | 0 | 0 | 112.1 | Q310 S317 A318 | Q310-E314 WeakPolarHBondContact CG-OE1 3.33Å; Q310-E314 PolarHBondContact NE2-OE1 2.79Å; Q310-E314 WeakPolarHBondContact O-CB 3.43Å; Q310-E314 WeakPolarHBondContact O-CG 3.48Å; Q310-E314 PolarHBondContact O-N 3.44Å; E314-S317 PolarHBondContact O-N 3.17Å; E314-A318 WeakPolarHBondContact O-CB 3.2Å; E314-A318 PolarHBondContact O-N 3.16Å |
| 315 | A | 79.1 | Confident | 69.2 | Low | 57 Ų | 57 | 78.8 Ų | 78.8 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q311 L312 S317 A318 E319 | Q311-A315 WeakPolarHBondContact O-CB 3.42Å; Q311-A315 PolarHBondContact O-N 2.72Å; L312-A315 PolarHBondContact O-N 3.04Å; A315-S317 VanDerWaalsContact C-N 3.29Å; A315-S317 PolarHBondContact O-N 3.13Å; A315-A318 PolarHBondContact O-N 3.48Å; A315-A318 VanDerWaalsContact O-N 3.08Å; A315-E319 PolarHBondContact O-N 2.96Å |
| 316 | L | 78.4 | Confident | 68.4 | Low | 27 Ų | 27 | 83.3 Ų | 83.3 | 14% | 0.141 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 176.1 | -60 | 176.9 | 0 | 0 | 0 | 112.2 | E114 R117 Q118 L121 L312 A318 S320 | E114-L316 HydrophobicContact CG-CB 4.45Å; E114-L316 HydrophobicContact CG-CD2 4.19Å; E114-L316 VanDerWaalsContact OE1-CA 3.27Å; E114-L316 WeakPolarHBondContact OE1-CA 3.5Å; E114-L316 WeakPolarHBondContact OE1-CB 3.16Å; E114-L316 VanDerWaalsContact OE1-CD2 3.3Å; E114-L316 WeakPolarHBondContact OE1-CD2 3.5Å; R117-L316 HydrophobicContact CB-CD1 3.74Å; Q118-L316 HydrophobicContact CB-CD1 4.49Å; L121-L316 HydrophobicContact CD1-CD1 3.48Å; L121-L316 VanDerWaalsContact CD1-CD1 3.48Å; L312-L316 WeakPolarHBondContact O-CG 3.34Å; L312-L316 PolarHBondContact O-N 2.89Å; L316-A318 PolarHBondContact O-N 3.11Å; L316-S320 WeakPolarHBondContact O-CB 3.35Å; L316-S320 PolarHBondContact O-N 2.94Å; L316-S320 VanDerWaalsContact O-N 3.16Å; L316-S320 PolarHBondContact O-OG 2.73Å |
| 317 | S | 78.5 | Confident | 66.8 | Low | 43 Ų | 43 | 86.4 Ų | 86.4 | 30% | 0.301 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69 | -17.1 | 175 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | L313 E314 A315 R321 | L313-S317 VanDerWaalsContact O-CB 3.31Å; L313-S317 WeakPolarHBondContact O-CB 3.33Å; L313-S317 PolarHBondContact O-N 3.36Å; L313-S317 PolarHBondContact O-OG 2.73Å; E314-S317 PolarHBondContact O-N 3.17Å; A315-S317 VanDerWaalsContact C-N 3.29Å; A315-S317 PolarHBondContact O-N 3.13Å; S317-R321 WeakPolarHBondContact O-CD 3.24Å; S317-R321 WeakPolarHBondContact O-CG 3.37Å; S317-R321 PolarHBondContact O-NE 3.12Å |
| 318 | A | 74.4 | Confident | 65.1 | Low | 55 Ų | 55 | 87.3 Ų | 87.3 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -93.5 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E314 A315 L316 R321 S322 | E314-A318 WeakPolarHBondContact O-CB 3.2Å; E314-A318 PolarHBondContact O-N 3.16Å; A315-A318 PolarHBondContact O-N 3.48Å; A315-A318 VanDerWaalsContact O-N 3.08Å; L316-A318 PolarHBondContact O-N 3.11Å; A318-R321 PolarHBondContact O-N 3.37Å; A318-R321 VanDerWaalsContact O-N 3.15Å; A318-S322 PolarHBondContact O-N 2.93Å; A318-S322 PolarHBondContact O-OG 2.72Å |
| 319 | E | 72 | Confident | 63.6 | Low | 135 Ų | 135 | 91.3 Ų | 91.3 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.1 | -52.8 | 176.1 | -156.3 | 78 | -172.4 | 0 | 0 | 110.2 | E114 A315 R321 S322 | E114-E319 WeakPolarHBondContact OE1-CB 3.08Å; A315-E319 PolarHBondContact O-N 2.96Å; E319-R321 PolarHBondContact O-N 2.85Å; E319-S322 WeakPolarHBondContact O-CB 3.35Å; E319-S322 PolarHBondContact O-N 3.26Å; E319-S322 PolarHBondContact O-OG 2.94Å |
| 320 | S | 65.3 | Low | 61.6 | Low | 79 Ų | 79 | 96 Ų | 96 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -7.1 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 116.2 | L316 | L316-S320 WeakPolarHBondContact O-CB 3.35Å; L316-S320 PolarHBondContact O-N 2.94Å; L316-S320 VanDerWaalsContact O-N 3.16Å; L316-S320 PolarHBondContact O-OG 2.73Å |
| 321 | R | 66.6 | Low | 59.7 | Low | 203 Ų | 203 | 97.5 Ų | 97.5 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -3.8 | 174.7 | -70.9 | -179.6 | -172 | -172.8 | 2.9 | 113.7 | S317 A318 E319 P323 | S317-R321 WeakPolarHBondContact O-CD 3.24Å; S317-R321 WeakPolarHBondContact O-CG 3.37Å; S317-R321 PolarHBondContact O-NE 3.12Å; A318-R321 PolarHBondContact O-N 3.37Å; A318-R321 VanDerWaalsContact O-N 3.15Å; E319-R321 PolarHBondContact O-N 2.85Å; R321-P323 WeakPolarHBondContact O-CD 3.37Å |
| 322 | S | 47.3 | Very low | 57.5 | Low | 85 Ų | 85 | 94.7 Ų | 94.7 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 119.8 | 178.2 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | A318 E319 | A318-S322 PolarHBondContact O-N 2.93Å; A318-S322 PolarHBondContact O-OG 2.72Å; E319-S322 WeakPolarHBondContact O-CB 3.35Å; E319-S322 PolarHBondContact O-N 3.26Å; E319-S322 PolarHBondContact O-OG 2.94Å |
| 323 | P | 47.2 | Very low | 55.2 | Low | 120 Ų | 120 | 101.2 Ų | 101.2 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -73 | 138.6 | 179.3 | -14.2 | 29.4 | 0 | 0 | 0 | 111.5 | R321 | R321-P323 WeakPolarHBondContact O-CD 3.37Š|
| 324 | D | 41.8 | Very low | 53.3 | Low | 143 Ų | 143 | 105.6 Ų | 105.6 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 135.2 | 167.3 | -86.8 | -48 | 0 | 0 | 0 | 111 | S326 | D324-S326 PolarHBondContact O-N 3.13Š|
| 325 | P | 43.2 | Very low | 50.8 | Low | 132 Ų | 132 | 107.1 Ų | 107.1 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -79.5 | 62.9 | 179.1 | 33.8 | -35.9 | 0 | 0 | 0 | 111.6 | ||
| 326 | S | 46.6 | Very low | 49 | Very low | 108 Ų | 108 | 110.3 Ų | 110.3 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -147.7 | 112 | 168.3 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | D324 | D324-S326 PolarHBondContact O-N 3.13Š| ||
| 327 | G | 36.3 | Very low | 46.8 | Very low | 80 Ų | 80 | 115.8 Ų | 115.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | 147.2 | 52.1 | 176 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 328 | S | 36.8 | Very low | 44.4 | Very low | 130 Ų | 130 | 116.8 Ų | 116.8 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -119 | 100.6 | 164.7 | -72.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 329 | S | 38.8 | Very low | 42.8 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -90.1 | 121.7 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 330 | A | 39.7 | Very low | 40.7 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -136.3 | 131.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 331 | G | 37.9 | Very low | 39 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -87.3 | 165.7 | -159.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 332 | G | 31.6 | Very low | 37.3 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -164.7 | 141.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 333 | Q | 31.7 | Very low | 36.8 | Very low | 199 Ų | 199 | 120.8 Ų | 120.8 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -84.2 | 165.8 | -173.3 | -97.6 | -175 | -43.7 | 0 | 0 | 114.3 | ||||
| 334 | P | 44 | Very low | 36 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -103.7 | 152.5 | -161.2 | 39 | -35.2 | 0 | 0 | 0 | 116.3 | ||||
| 335 | V | 30.2 | Very low | 35.3 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | trans | -149.4 | 166.2 | 158.7 | -120.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 336 | P | 41 | Very low | 34.4 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | -110.3 | 171.1 | -120.5 | 30.1 | -12.1 | 0 | 0 | 0 | 116.3 | |||||
| 337 | V | 32.8 | Very low | 33.4 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 87% | 0.867 | 84% | 0.843 | S | S | * | * | trans | -76.2 | 138.1 | -171.5 | 175.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 338 | G | 28 | Very low | 33 | Very low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 84% | 0.843 | S | S | * | * | trans | -119.4 | 149.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 339 | P | 40.3 | Very low | 32.8 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -91.6 | 148 | -159.6 | 35.1 | -35.9 | 0 | 0 | 0 | 114.7 | ||||
| 340 | G | 28.3 | Very low | 32.4 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 176.8 | 92.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 341 | E | 29.2 | Very low | 31.9 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | 67.2 | 146.7 | 149.1 | -55.8 | -168.6 | 109.7 | 0 | 0 | 122.2 | ||||
| 342 | S | 30.7 | Very low | 31.4 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 146.1 | -177.9 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 343 | P | 36.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 135.6 | 173.9 | 31.2 | -33.4 | 0 | 0 | 0 | 112.1 | ||
| 344 | R | 30.9 | Very low | 31 | Very low | 242 Ų | 242 | 145.2 Ų | 145.2 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 154.9 | 168 | -59.8 | -180 | -158 | -129.5 | -0.6 | 110 | ||
| 345 | G | 26.5 | Very low | 30 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 154.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 346 | W | 24 | Very low | 29.9 | Very low | 248 Ų | 248 | 143.4 Ų | 143.4 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -105.9 | 111.8 | -178.7 | -167.5 | -70 | 0 | 0 | 0 | 110 | ||||
| 347 | E | 26.4 | Very low | 29.2 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -96 | 153.4 | 172.2 | -74 | -162.7 | 118.8 | 0 | 0 | 112.1 | ||
| 348 | S | 28 | Very low | 28.9 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 136.6 | -172.9 | -170.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 349 | P | 31.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 148 Ų | 148 | 71% | 0.714 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 127.9 | -173.4 | -10.2 | 28.3 | 0 | 0 | 0 | 116.1 | ||
| 350 | V | 30.7 | Very low | 28.4 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 67% | 0.667 | 84% | 0.837 | S | S | * | * | trans | 78.5 | 96.8 | 136.8 | -174.2 | 0 | 0 | 0 | 0 | 119.4 | K352 | V350-K352 HydrophobicContact CG1-CB 4.19Å; V350-K352 HydrophobicContact CG1-CD 4.06Å; V350-K352 HydrophobicContact CG1-CG 3.85Å | ||
| 351 | L | 28.8 | Very low | 28.3 | Very low | 180 Ų | 180 | 155 Ų | 155 | 94% | 0.942 | 85% | 0.849 | S | S | * | * | trans | -79.2 | 140.4 | 136.8 | -101.3 | 156.9 | 0 | 0 | 0 | 109.7 | ||||
| 352 | K | 28.6 | Very low | 28.2 | Very low | 179 Ų | 179 | 154.4 Ų | 154.4 | 78% | 0.778 | 85% | 0.847 | S | S | * | * | trans | -132.1 | 112.8 | 170.8 | -106.5 | 178.6 | -176.2 | 177.2 | 0 | 113.1 | V350 | V350-K352 HydrophobicContact CG1-CB 4.19Å; V350-K352 HydrophobicContact CG1-CD 4.06Å; V350-K352 HydrophobicContact CG1-CG 3.85Å | ||
| 353 | K | 29.3 | Very low | 28.4 | Very low | 203 Ų | 203 | 155.1 Ų | 155.1 | 88% | 0.883 | 85% | 0.849 | S | S | * | * | trans | 35.5 | 123.3 | 148.2 | -74.8 | -174.3 | 170.2 | -174.1 | 0 | 119.8 | ||||
| 354 | L | 26 | Very low | 28.1 | Very low | 173 Ų | 173 | 158 Ų | 158 | 91% | 0.906 | 85% | 0.851 | S | S | * | * | -144.5 | 118.9 | 127.4 | -101.9 | 166.8 | 0 | 0 | 0 | 108.7 | |||||
| 355 | S | 23.2 | Very low | 27.9 | Very low | 125 Ų | 125 | 153 Ų | 153 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -160.6 | 106.1 | 172.1 | -68.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 356 | A | 26.6 | Very low | 28 | Very low | 91 Ų | 91 | 157.5 Ų | 157.5 | 75% | 0.752 | 85% | 0.852 | S | S | * | * | trans | 174 | 135.5 | 169 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 357 | E | 27.2 | Very low | 28.3 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | cis | -153.6 | 147 | -7.6 | -91.2 | 167.7 | 115.1 | 0 | 0 | 107.1 | ||||
| 358 | A | 26.8 | Very low | 28.5 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -160.7 | 103.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 359 | S | 27.2 | Very low | 28.6 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 127.7 | -178 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 360 | A | 30.1 | Very low | 29.4 | Very low | 97 Ų | 97 | 146 Ų | 146 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 132.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 361 | R | 26.2 | Very low | 29.3 | Very low | 252 Ų | 252 | 152.2 Ų | 152.2 | 95% | 0.951 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 129.9 | 168.1 | -80.2 | -176.7 | 170.9 | -168.7 | -2.4 | 110.5 | ||
| 362 | Q | 26.4 | Very low | 29.4 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | trans | -114.7 | 149.1 | 157.6 | -98 | -178.8 | -37.2 | 0 | 0 | 110 | ||||
| 363 | P | 35.8 | Very low | 29.6 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | -82.1 | 152.7 | -173.5 | 33.1 | -35 | 0 | 0 | 0 | 112.9 | ||||
| 364 | Q | 30.3 | Very low | 30.6 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | -84.3 | 148.6 | -178.7 | -65.4 | -177.6 | -8.1 | 0 | 0 | 113.1 | ||||
| 365 | T | 26.6 | Very low | 30.8 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | trans | -104.3 | 138.5 | 162.5 | 48.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 366 | L | 28.6 | Very low | 31.2 | Very low | 175 Ų | 175 | 143 Ų | 143 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -139.6 | 150.3 | 166.4 | -136.2 | 92 | 0 | 0 | 0 | 108.9 | ||||
| 367 | A | 29.8 | Very low | 31.2 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 72% | 0.719 | 84% | 0.844 | S | S | * | * | trans | -124.6 | 143.6 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 368 | S | 30.9 | Very low | 31.6 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | 93.1 | 137.4 | 141.8 | 80.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 369 | S | 29 | Very low | 32.6 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | trans | 101 | 154 | 149.9 | -50.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 370 | P | 48.6 | Very low | 32.7 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 83% | 0.826 | S | S | * | * | -141.2 | 174.8 | -71.7 | 39.1 | -21 | 0 | 0 | 0 | 116.5 | |||||
| 371 | R | 30.1 | Very low | 32.8 | Very low | 240 Ų | 240 | 140 Ų | 140 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | 71.2 | 142.6 | 170.9 | -54.2 | -178.3 | 175.9 | -167.6 | -2 | 114.7 | ||||
| 372 | S | 29.9 | Very low | 32.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | cis | -153 | 162.5 | 35.9 | -58.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 373 | R | 33 | Very low | 33.2 | Very low | 241 Ų | 241 | 131.5 Ų | 131.5 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -99.5 | -178.5 | 164.4 | -112.1 | -172.7 | 179.6 | -178.2 | 0.6 | 109.1 | ||||
| 374 | P | 50.7 | Low | 32.9 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | cis | -141.3 | -179.5 | 14.1 | 42.1 | -22.9 | 0 | 0 | 0 | 118 | ||||
| 375 | G | 28.8 | Very low | 33 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 110.7 | 143.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 376 | A | 31.8 | Very low | 33.2 | Very low | 109 Ų | 109 | 132 Ų | 132 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | cis | -163.4 | 158.1 | -16.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 377 | G | 28.4 | Very low | 33.2 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | 109 | 112 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 378 | A | 34.3 | Very low | 33.3 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -125.3 | 172.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 379 | P | 48.9 | Very low | 33.3 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | cis | -112.6 | -163.7 | 0.7 | 43 | -29.3 | 0 | 0 | 0 | 112 | ||||
| 380 | G | 28.9 | Very low | 33.3 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | cis | 129.9 | 159.4 | -10.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 381 | I | 31.1 | Very low | 32.4 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | 85.6 | 144.2 | 175.6 | -58.4 | -178.7 | 0 | 0 | 0 | 118.3 | ||||
| 382 | A | 28.9 | Very low | 32.3 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 82% | 0.823 | S | S | * | * | trans | 72.3 | 107 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 383 | Q | 32.6 | Very low | 32.4 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | 62.6 | 110.6 | 66.7 | -171.4 | 178.2 | 1.4 | 0 | 0 | 114.1 | |||||
| 384 | E | 30 | Very low | 32.5 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -146 | 136.9 | 152.5 | -141.5 | 177.2 | 144.1 | 0 | 0 | 111.8 | ||||
| 385 | Q | 31.7 | Very low | 32 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | -121.3 | 134.3 | 166.6 | -69 | 174 | -32.5 | 0 | 0 | 106.3 | ||||
| 386 | S | 30.6 | Very low | 32.2 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | trans | -176.5 | 130.9 | 139 | -162.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 387 | W | 29.8 | Very low | 32.3 | Very low | 223 Ų | 223 | 130.7 Ų | 130.7 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 2.8 | 150.8 | 136.5 | -49.9 | 93.1 | 0 | 0 | 0 | 119.9 | ||||
| 388 | L | 32 | Very low | 33.1 | Very low | 155 Ų | 155 | 133 Ų | 133 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | -162.4 | 155.1 | 54.9 | -87.2 | 167.1 | 0 | 0 | 0 | 115 | |||||
| 389 | A | 31.1 | Very low | 32.9 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 57.1 | 146.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 390 | G | 28.6 | Very low | 32.1 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | cis | 147 | 112.5 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 391 | A | 29.7 | Very low | 32.3 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -164.3 | 121.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 392 | S | 28.2 | Very low | 32.4 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -107.5 | 144.2 | 171.3 | -61.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 393 | T | 32.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 134 Ų | 134 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -127.3 | 121.8 | 169.8 | 35.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 394 | E | 34.7 | Very low | 32.4 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 156.2 | 169.8 | -75.6 | -176.2 | 116.6 | 0 | 0 | 111.5 | ||
| 395 | P | 40 | Very low | 32.5 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -86 | 137.6 | 175.6 | 33.7 | -33.1 | 0 | 0 | 0 | 113 | ||
| 396 | T | 32 | Very low | 33.1 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 142.6 | -177.2 | -39.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 397 | A | 33.9 | Very low | 33 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 154.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 398 | P | 45.9 | Very low | 33.1 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 147.2 | 178.3 | 33.9 | -34.3 | 0 | 0 | 0 | 113 | ||
| 399 | S | 30.9 | Very low | 33.1 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 155 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 400 | S | 31.1 | Very low | 33.1 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 69% | 0.685 | 82% | 0.817 | S | S | * | * | trans | -67.2 | 176.6 | 157.3 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 401 | E | 33.6 | Very low | 33.1 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | cis | -162.2 | 152.3 | 3.2 | -145.1 | 173.2 | 138 | 0 | 0 | 108.4 | ||||
| 402 | A | 33.6 | Very low | 33.3 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -163.2 | 104.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 403 | G | 28.6 | Very low | 34.2 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -104.9 | 152 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 404 | I | 31.7 | Very low | 34.3 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | trans | -135.1 | 130 | 155.7 | -58.5 | -178.1 | 0 | 0 | 0 | 107.8 | ||||
| 405 | Q | 33.5 | Very low | 34.3 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -125.6 | 177.4 | 176.3 | -87.2 | -161.8 | 17.6 | 0 | 0 | 108.6 | ||||
| 406 | P | 44 | Very low | 34.6 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | cis | -131.4 | 175.6 | -41 | 35.7 | -20.8 | 0 | 0 | 0 | 111.4 | ||||
| 407 | V | 29 | Very low | 34.6 | Very low | 143 Ų | 143 | 123.9 Ų | 123.9 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -135.1 | 140.8 | 157.6 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 408 | S | 30.1 | Very low | 34.4 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -148.4 | -178.5 | 175.1 | -85.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 409 | V | 32.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | 86.6 | 128.5 | -171.8 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 410 | Q | 30.8 | Very low | 34.1 | Very low | 186 Ų | 186 | 124.3 Ų | 124.3 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | cis | -149.5 | 169.6 | -3.3 | -108.8 | 152.1 | 3.4 | 0 | 0 | 106 | ||||
| 411 | G | 29.5 | Very low | 34.8 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | 131.7 | 100.8 | 16.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 412 | S | 33.5 | Very low | 34.8 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 142.2 | 177 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 413 | P | 48.5 | Very low | 34.7 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88 | 154 | -176.3 | 33.7 | -34.3 | 0 | 0 | 0 | 115.2 | ||
| 414 | A | 34 | Very low | 35.1 | Very low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 165.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 415 | L | 33.8 | Very low | 35.2 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -130.8 | 154.3 | 140.8 | -79 | 177 | 0 | 0 | 0 | 110 | ||||
| 416 | P | 47.4 | Very low | 35.3 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -117.9 | 160.1 | -157.3 | 40.6 | -30.4 | 0 | 0 | 0 | 116.9 | ||||
| 417 | G | 30.7 | Very low | 34.9 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 81.1 | 130.8 | 158 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 418 | G | 29.9 | Very low | 35.2 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | 116.3 | 106.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 419 | C | 29.2 | Very low | 35.5 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -172 | 121.2 | 153.8 | -114.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 420 | V | 42.2 | Very low | 36.1 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -144.5 | 134.1 | 163.6 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 421 | P | 45.3 | Very low | 37 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -122.4 | 149.8 | 144.2 | 35.6 | -25.4 | 0 | 0 | 0 | 110.2 | ||||
| 422 | G | 32.6 | Very low | 37.4 | Very low | 60 Ų | 60 | 139 Ų | 139 | 62% | 0.619 | 83% | 0.828 | S | S | * | * | cis | 119.7 | 80.1 | 3.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 423 | N | 33.3 | Very low | 37.6 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | 161 | 136.3 | 128.5 | -85.2 | -12.6 | 0 | 0 | 0 | 116.5 | |||||
| 424 | H | 36.2 | Very low | 37 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | 31.8 | 131.5 | 141.4 | -64.8 | -70.8 | 0 | 0 | 0 | 122.7 | ||||
| 425 | F | 33 | Very low | 37.1 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | -159.5 | 173.2 | 94.7 | -124.6 | -103.9 | 0 | 0 | 0 | 114.7 | |||||
| 426 | K | 36.5 | Very low | 37.3 | Very low | 186 Ų | 186 | 141 Ų | 141 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | trans | -67.9 | 161.6 | -163.7 | -68.9 | 164.2 | 173.8 | 168.8 | 0 | 117.1 | ||||
| 427 | G | 35.4 | Very low | 36.7 | Very low | 68 Ų | 68 | 142.5 Ų | 142.5 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -105.9 | -146.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 428 | R | 35 | Very low | 37.1 | Very low | 256 Ų | 256 | 146.6 Ų | 146.6 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | trans | 90.3 | 147.1 | -156 | -72 | -169.2 | 176.3 | -157.3 | 0.3 | 111.9 | ||||
| 429 | S | 36.5 | Very low | 37.6 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | cis | -149.5 | 170.9 | -2.7 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 430 | K | 44 | Very low | 38.3 | Very low | 180 Ų | 180 | 154 Ų | 154 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -46.5 | 145.1 | 155.1 | -56.8 | 173.1 | 173.9 | -177.3 | 0 | 111.5 | ||||
| 431 | D | 50.2 | Low | 38 | Very low | 238 Ų | 238 | 155.5 Ų | 155.5 | 100% | 1.273 | 82% | 0.82 | S | S | * | * | -143 | 0 | 95 | -81.2 | -31.7 | 0 | 0 | 0 | 110 |
Retrieved 431 of 431 residues in 294.9 ms
(Link to these results)