| 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 | 35.8 | Very low | 37.9 | Very low | 243 Ų | 243 | 150.9 Ų | 150.9 | 100% | 1.197 | 81% | 0.805 | S | S | * | * | 0 | 79.7 | 0 | -66.3 | 177.5 | 175.5 | 0 | 0 | 105.1 | |||||
| 2 | A | 39 | Very low | 37.2 | Very low | 79 Ų | 79 | 152.3 Ų | 152.3 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | 98.6 | 104.3 | 95.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 3 | D | 38.2 | Very low | 36.8 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | 69.8 | 142.8 | 99.6 | -57.7 | -43.7 | 0 | 0 | 0 | 110 | |||||
| 4 | E | 39.1 | Very low | 36.3 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -176 | 134 | 17.1 | -132.6 | 168.1 | 60.8 | 0 | 0 | 103.3 | ||||
| 5 | E | 31.3 | Very low | 35.8 | Very low | 153 Ų | 153 | 152.1 Ų | 152.1 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | 74.7 | 119.9 | 110.3 | -167.6 | 168.8 | 120.4 | 0 | 0 | 117.5 | |||||
| 6 | R | 35 | Very low | 35.4 | Very low | 220 Ų | 220 | 147.8 Ų | 147.8 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | 162.7 | 105 | 112.1 | -158 | 165.4 | -168.9 | 131.9 | -2.1 | 112.7 | |||||
| 7 | S | 39.9 | Very low | 35.1 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -95.3 | -171.6 | 143.8 | -57.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 8 | P | 51.1 | Low | 34.8 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | cis | -134.1 | -169 | -16.3 | 28.7 | -4.3 | 0 | 0 | 0 | 112 | ||||
| 9 | L | 30.6 | Very low | 34.4 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | 172 | 109.9 | 126.2 | -83.8 | -174.7 | 0 | 0 | 0 | 111.7 | |||||
| 10 | L | 35.8 | Very low | 34 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -78.8 | 173.2 | 146.7 | -90.6 | 168.1 | 0 | 0 | 0 | 107.9 | ||||
| 11 | P | 40.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -151.1 | -179.1 | 30.8 | 36.3 | -10.8 | 0 | 0 | 0 | 118.4 | ||||
| 12 | E | 30.3 | Very low | 34.7 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | trans | -24.5 | 173.2 | 152.9 | -158.7 | 175.8 | 107.9 | 0 | 0 | 118.6 | ||||
| 13 | Q | 31.8 | Very low | 34.6 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | trans | 106 | 130.8 | 150.4 | -139.3 | 153.3 | 4.8 | 0 | 0 | 113.2 | ||||
| 14 | Q | 28.9 | Very low | 34.3 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 59% | 0.589 | 75% | 0.747 | S | S | * | * | cis | -178.3 | 165.9 | 19.7 | -137.6 | 166 | 6.5 | 0 | 0 | 111.5 | ||||
| 15 | Y | 29.2 | Very low | 34 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | 74.8 | 119.5 | 145 | -83.8 | -57.8 | 0 | 0 | 0 | 120.7 | ||||
| 16 | A | 29.1 | Very low | 34.1 | Very low | 82 Ų | 82 | 141.4 Ų | 141.4 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | 105.3 | 146.6 | 95 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 17 | T | 29.9 | Very low | 33.9 | Very low | 109 Ų | 109 | 135 Ų | 135 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | cis | 178.7 | 138.7 | 1.4 | -94.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 18 | N | 29.9 | Very low | 33.4 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 54.4 | 135.3 | 148.2 | -55.3 | -12.4 | 0 | 0 | 0 | 124 | ||||
| 19 | G | 28.2 | Very low | 32.5 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | 101.2 | 147 | 127.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 20 | F | 26.9 | Very low | 33.3 | Very low | 205 Ų | 205 | 136.2 Ų | 136.2 | 90% | 0.899 | 75% | 0.752 | S | S | * | * | cis | -168.1 | 132.9 | -0.7 | -163.2 | -111.5 | 0 | 0 | 0 | 103.6 | ||||
| 21 | F | 36.8 | Very low | 33.3 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | -64.9 | 174.2 | 160.9 | -78.9 | -84.9 | 0 | 0 | 0 | 108.8 | ||||
| 22 | P | 47.4 | Very low | 32.9 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 60% | 0.597 | 75% | 0.751 | S | S | * | * | cis | -153.8 | -174.3 | 27.1 | 36.4 | -11 | 0 | 0 | 0 | 117.5 | ||||
| 23 | Q | 35.3 | Very low | 33.3 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | trans | 76.5 | 147.1 | 136.4 | -98.8 | 178.3 | -10.8 | 0 | 0 | 118.7 | ||||
| 24 | R | 33 | Very low | 33.5 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | cis | -169.1 | 139.4 | 2.7 | -157.7 | 162 | -170.7 | -162.3 | -1.6 | 106.6 | ||||
| 25 | S | 32.7 | Very low | 34.3 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 45.1 | 151.2 | 132.8 | -49.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 26 | S | 32.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | cis | 175.2 | 152.5 | 17.2 | 23.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 27 | G | 30.8 | Very low | 35.4 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | trans | 78.2 | 142.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 28 | G | 30.7 | Very low | 36.1 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | cis | 151.2 | 117.7 | 15.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 29 | Y | 31.7 | Very low | 36.5 | Very low | 228 Ų | 228 | 140.1 Ų | 140.1 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | trans | -61.6 | 169.7 | 173 | -57.8 | -83.9 | 0 | 0 | 0 | 111.1 | ||||
| 30 | P | 47.3 | Very low | 37.4 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -154.4 | -179.6 | 31.2 | 42.7 | -19.7 | 0 | 0 | 0 | 119.7 | ||||
| 31 | Q | 36 | Very low | 38.5 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | 67.9 | 118.3 | 153.1 | -63.1 | -130.2 | 18.9 | 0 | 0 | 120.5 | ||||
| 32 | S | 32.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | 170.1 | 127.8 | 108.4 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 33 | I | 38.1 | Very low | 38.7 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | 64.9 | 110.4 | 137.1 | -61 | 159.9 | 0 | 0 | 0 | 118.7 | ||||
| 34 | V | 36.7 | Very low | 38.9 | Very low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 143.3 | 161.6 | -130.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 35 | P | 44.2 | Very low | 39.7 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | -139.4 | 147.4 | 96.4 | 21.6 | -0.4 | 0 | 0 | 0 | 114.3 | |||||
| 36 | F | 38.7 | Very low | 40.9 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -39.1 | 145.3 | 177.9 | -72.9 | -98.5 | 0 | 0 | 0 | 116.2 | ||||
| 37 | P | 43.3 | Very low | 41.8 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -125.1 | 141 | 131.6 | 30.8 | -18.1 | 0 | 0 | 0 | 112.2 | Y39 | P37-Y39 PolarHBondContact O-N 3.42Š| ||
| 38 | S | 44 | Very low | 42.5 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -44.6 | 124.1 | 170.7 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 39 | Y | 39.4 | Very low | 42.9 | Very low | 223 Ų | 223 | 140.8 Ų | 140.8 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | -132.1 | 117.8 | 161 | -116 | -93.6 | 0 | 0 | 0 | 109.2 | P37 | P37-Y39 PolarHBondContact O-N 3.42Š| ||
| 40 | V | 47.3 | Very low | 43.7 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 122.4 | 173 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 41 | P | 49.9 | Very low | 43.8 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 137.1 | 171.7 | 28.6 | -30.5 | 0 | 0 | 0 | 110.3 | ||
| 42 | P | 45.3 | Very low | 44.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 146.2 | 173.8 | 30 | -31.8 | 0 | 0 | 0 | 110.1 | E44 | P42-E44 PolarHBondContact O-N 3.48Å; P42-E44 VanDerWaalsContact O-N 3.13Å |
| 43 | S | 43.3 | Very low | 44.4 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -48 | 113.2 | -179.8 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | A45 | S43-A45 PolarHBondContact O-N 3.28Š| ||
| 44 | E | 38 | Very low | 44.2 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 118.3 | 169.2 | -162.6 | 159 | 154.4 | 0 | 0 | 108.6 | P42 | P42-E44 PolarHBondContact O-N 3.48Å; P42-E44 VanDerWaalsContact O-N 3.13Å |
| 45 | A | 50.7 | Low | 44.9 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 142.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S43 | S43-A45 PolarHBondContact O-N 3.28Š|
| 46 | P | 56.8 | Low | 44.8 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 152.6 | 176.2 | 25.7 | -33.2 | 0 | 0 | 0 | 111.6 | ||
| 47 | P | 53.2 | Low | 45 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -55.6 | 150.9 | -179.1 | 22.9 | -33.7 | 0 | 0 | 0 | 112 | Y49 | P47-Y49 PolarHBondContact O-N 2.97Š|
| 48 | P | 45.3 | Very low | 45.1 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.3 | -168.2 | 21 | -31.1 | 0 | 0 | 0 | 111.6 | S50 | P48-S50 PolarHBondContact O-N 3.46Š|
| 49 | Y | 38.5 | Very low | 45.5 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 117.3 | 177.5 | -142.4 | -100.9 | 0 | 0 | 0 | 110.1 | P47 Q52 | P47-Y49 PolarHBondContact O-N 2.97Å; Y49-Q52 HydrophobicContact CE1-CB 4.14Å |
| 50 | S | 49.3 | Very low | 46.5 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 133.2 | 160 | -66.2 | 0 | 0 | 0 | 0 | 107.2 | P48 Q52 | P48-S50 PolarHBondContact O-N 3.46Å; S50-Q52 PolarHBondContact O-N 2.91Å |
| 51 | P | 48.3 | Very low | 47.7 | Very low | 126 Ų | 126 | 114.7 Ų | 114.7 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -63 | 107.2 | 179.4 | 23.7 | -29.8 | 0 | 0 | 0 | 108.5 | G53 | P51-G53 PolarHBondContact O-N 3.27Š| ||
| 52 | Q | 46 | Very low | 49.2 | Very low | 165 Ų | 165 | 114.1 Ų | 114.1 | 77% | 0.771 | 71% | 0.712 | S | S | * | * | trans | -68.9 | 83.6 | 163.9 | -165.9 | 174.2 | 63.3 | 0 | 0 | 106.5 | Y49 S50 | Y49-Q52 HydrophobicContact CE1-CB 4.14Å; S50-Q52 PolarHBondContact O-N 2.91Å | ||
| 53 | G | 35.2 | Very low | 51 | Low | 58 Ų | 58 | 110.5 Ų | 110.5 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | trans | -84.4 | 108.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P51 | P51-G53 PolarHBondContact O-N 3.27Š| ||
| 54 | S | 34.8 | Very low | 53.1 | Low | 97 Ų | 97 | 108.5 Ų | 108.5 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | trans | 51.3 | 125.7 | 147.5 | 49.7 | 0 | 0 | 0 | 0 | 120.1 | D56 | S54-D56 PolarHBondContact O-N 3.21Š| ||
| 55 | P | 52 | Low | 55.3 | Low | 114 Ų | 114 | 99.5 Ų | 99.5 | 74% | 0.74 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -70.9 | 126.1 | 154.5 | 32.1 | -24.9 | 0 | 0 | 0 | 106.6 | ||
| 56 | D | 41.9 | Very low | 56.9 | Low | 151 Ų | 151 | 105 Ų | 105 | 81% | 0.807 | 63% | 0.633 | S | S | * | * | trans | 129.2 | 61.1 | 170.7 | -62.5 | -21.3 | 0 | 0 | 0 | 111.6 | S54 | S54-D56 PolarHBondContact O-N 3.21Š| ||
| 57 | S | 41.6 | Very low | 58.2 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 78% | 0.776 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -170.1 | 110.8 | 154.4 | -77.4 | 0 | 0 | 0 | 0 | 106.1 | S59 | S57-S59 PolarHBondContact O-N 2.86Š|
| 58 | S | 46.6 | Very low | 59.7 | Low | 102 Ų | 102 | 98.4 Ų | 98.4 | 71% | 0.713 | 59% | 0.59 | S | S | * | * | trans | -39 | 107.9 | 172.5 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | A60 | S58-A60 VanDerWaalsContact C-N 3.26Å; S58-A60 PolarHBondContact O-N 3.38Å | ||
| 59 | S | 51.3 | Low | 61.7 | Low | 115 Ų | 115 | 100.1 Ų | 100.1 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | trans | -61.7 | 94.1 | 179.8 | 64.7 | 0 | 0 | 0 | 0 | 107.7 | S57 | S57-S59 PolarHBondContact O-N 2.86Š| ||
| 60 | A | 60.6 | Low | 63.9 | Low | 27 Ų | 27 | 93.5 Ų | 93.5 | 22% | 0.223 | 57% | 0.566 | C | S | . | * | trans | -56.6 | 127 | 178.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | S58 V62 E75 | S58-A60 VanDerWaalsContact C-N 3.26Å; S58-A60 PolarHBondContact O-N 3.38Å; A60-V62 WeakPolarHBondContact O-CG2 3.21Å; A60-V62 PolarHBondContact O-N 3.13Å; A60-E75 HydrophobicContact CB-CB 4.04Å; A60-E75 HydrophobicContact CB-CG 4.11Å | ||
| 61 | P | 72.9 | Confident | 65.6 | Low | 74 Ų | 74 | 92 Ų | 92 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | trans | -61.7 | 114.4 | -178.6 | 20 | -28.4 | 0 | 0 | 0 | 108.7 | V74 T78 | P61-V74 HydrophobicContact CG-CB 4.25Å; P61-V74 WeakPolarHBondContact O-CB 3.03Å; P61-V74 VanDerWaalsContact O-CG2 3.23Å; P61-V74 WeakPolarHBondContact O-CG2 3.47Å; P61-V74 PolarHBondContact O-N 3.42Å; P61-T78 HydrophobicContact CG-CG2 4.01Å | ||
| 62 | V | 80.9 | Confident | 67.4 | Low | 98 Ų | 98 | 87 Ų | 87 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.4 | 176.1 | -179 | 0 | 0 | 0 | 0 | 108.4 | A60 A71 | A60-V62 WeakPolarHBondContact O-CG2 3.21Å; A60-V62 PolarHBondContact O-N 3.13Å; V62-A71 HydrophobicContact CG1-CB 3.63Å |
| 63 | I | 84.7 | Confident | 69.1 | Low | 42 Ų | 42 | 82.1 Ų | 82.1 | 22% | 0.215 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.9 | 175.6 | -165.7 | 166.3 | 0 | 0 | 0 | 110.5 | I72 V74 V83 T92 P93 I94 | I63-I72 HydrophobicContact CG2-CB 3.88Å; I63-I72 HydrophobicContact CG2-CD1 4.44Å; I63-I72 HydrophobicContact CG2-CG2 4.42Å; I63-I72 PolarHBondContact N-O 2.76Å; I63-I72 WeakPolarHBondContact O-CB 3.42Å; I63-I72 PolarHBondContact O-N 3.36Å; I63-V74 HydrophobicContact CB-CG2 4.02Å; I63-V74 HydrophobicContact CG2-CG2 3.47Å; I63-V74 VanDerWaalsContact CG2-CG2 3.47Å; I63-V83 HydrophobicContact CG2-CG2 4.4Å; I63-T92 HydrophobicContact CD1-CG2 4.1Å; I63-T92 HydrophobicContact CG1-CG2 4.41Å; I63-P93 WeakPolarHBondContact CD1-O 3.5Å; I63-I94 HydrophobicContact CD1-CB 4.49Å; I63-I94 HydrophobicContact CD1-CG2 3.8Å; I63-I94 HydrophobicContact CG2-CG2 4Å |
| 64 | S | 86.3 | Confident | 71.3 | Confident | 79 Ų | 79 | 79.8 Ų | 79.8 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 136.1 | 175.8 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | R66 | S64-R66 PolarHBondContact O-N 2.96Å |
| 65 | C | 83.9 | Confident | 73.2 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.007 | 48% | 0.479 | C | S | . | . | trans | -67.5 | 127.2 | 174.2 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | V67 Q69 T70 I72 C85 C88 | C65-V67 PolarHBondContact O-N 3.44Å; C65-V67 VanDerWaalsContact O-N 3.11Å; C65-V67 PolarHBondContact SG-N 2.99Å; C65-Q69 WeakPolarHBondContact O-CA 3.09Å; C65-Q69 PolarHBondContact O-N 3.47Å; C65-T70 PolarHBondContact N-O 3.11Å; C65-I72 HydrophobicContact CB-CD1 3.98Å; C65-C85 HydrophobicContact CB-CB 4.21Å; C65-C88 PolarHBondContact SG-SG 3.13Å | ||
| 66 | R | 84.3 | Confident | 74 | Confident | 197 Ų | 197 | 78.4 Ų | 78.4 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.1 | 178.4 | -165.8 | 171.5 | -179 | -178.4 | 1.8 | 114.3 | S64 | S64-R66 PolarHBondContact O-N 2.96Š|
| 67 | V | 84.8 | Confident | 75.6 | Confident | 49 Ų | 49 | 76.5 Ų | 76.5 | 30% | 0.297 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -56.4 | -176.5 | -177 | 0 | 0 | 0 | 0 | 111.4 | C65 C88 E90 N109 | C65-V67 PolarHBondContact O-N 3.44Å; C65-V67 VanDerWaalsContact O-N 3.11Å; C65-V67 PolarHBondContact SG-N 2.99Å; V67-C88 HydrophobicContact CG1-CB 4.39Å; V67-E90 HydrophobicContact CG2-CB 3.87Å; V67-E90 HydrophobicContact CG2-CG 3.99Å; V67-N109 HydrophobicContact CG2-CB 4.22Å |
| 68 | C | 84.8 | Confident | 77.2 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 30% | 0.304 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 2.4 | -176.5 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | T70 C88 | C68-T70 PolarHBondContact O-N 2.93Å; C68-T70 PolarHBondContact O-OG1 2.81Å; C68-T70 PolarHBondContact SG-OG1 2.87Å; C68-C88 HydrophobicContact CB-CB 4.32Å |
| 69 | Q | 86.6 | Confident | 78.7 | Confident | 162 Ų | 162 | 75.8 Ų | 75.8 | 76% | 0.757 | 44% | 0.435 | S | S | * | . | trans | 61.7 | 4.5 | 178.1 | -63.5 | 166.2 | 26.7 | 0 | 0 | 115.7 | C65 | C65-Q69 WeakPolarHBondContact O-CA 3.09Å; C65-Q69 PolarHBondContact O-N 3.47Å | ||
| 70 | T | 86.1 | Confident | 80.3 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 31% | 0.313 | 42% | 0.415 | S | S | . | . | trans | -69.3 | 142.1 | 178.4 | -38.7 | 0 | 0 | 0 | 0 | 112.3 | C65 C68 I87 | C65-T70 PolarHBondContact N-O 3.11Å; C68-T70 PolarHBondContact O-N 2.93Å; C68-T70 PolarHBondContact O-OG1 2.81Å; C68-T70 PolarHBondContact SG-OG1 2.87Å; T70-I87 VanDerWaalsContact CB-CD1 3.48Å; T70-I87 HydrophobicContact CG2-CD1 3.14Å; T70-I87 WeakPolarHBondContact OG1-CD1 3.23Å | ||
| 71 | A | 84.7 | Confident | 81.3 | Confident | 68 Ų | 68 | 76.8 Ų | 76.8 | 56% | 0.562 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V62 | V62-A71 HydrophobicContact CG1-CB 3.63Å |
| 72 | I | 84.8 | Confident | 82 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 116.4 | 174.9 | -54.7 | 167.7 | 0 | 0 | 0 | 106.7 | I63 C65 V74 V83 C85 | I63-I72 HydrophobicContact CG2-CB 3.88Å; I63-I72 HydrophobicContact CG2-CD1 4.44Å; I63-I72 HydrophobicContact CG2-CG2 4.42Å; I63-I72 PolarHBondContact N-O 2.76Å; I63-I72 WeakPolarHBondContact O-CB 3.42Å; I63-I72 PolarHBondContact O-N 3.36Å; C65-I72 HydrophobicContact CB-CD1 3.98Å; I72-V74 PolarHBondContact O-N 2.95Å; I72-V83 HydrophobicContact CD1-CG2 4.49Å; I72-V83 HydrophobicContact CG2-CG2 4.22Å; I72-C85 HydrophobicContact CD1-CB 3.85Å |
| 73 | S | 83.2 | Confident | 82.5 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 123.9 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | E75 | S73-E75 VanDerWaalsContact C-N 3.3Å |
| 74 | V | 80.1 | Confident | 82.7 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.048 | 41% | 0.41 | C | S | . | . | trans | -94.7 | 11 | -179.6 | -166 | 0 | 0 | 0 | 0 | 111.4 | P61 I63 I72 G76 K77 T78 I94 | P61-V74 HydrophobicContact CG-CB 4.25Å; P61-V74 WeakPolarHBondContact O-CB 3.03Å; P61-V74 VanDerWaalsContact O-CG2 3.23Å; P61-V74 WeakPolarHBondContact O-CG2 3.47Å; P61-V74 PolarHBondContact O-N 3.42Å; I63-V74 HydrophobicContact CB-CG2 4.02Å; I63-V74 HydrophobicContact CG2-CG2 3.47Å; I63-V74 VanDerWaalsContact CG2-CG2 3.47Å; I72-V74 PolarHBondContact O-N 2.95Å; V74-G76 PolarHBondContact O-N 2.99Å; V74-K77 HydrophobicContact CG1-CB 4.44Å; V74-K77 PolarHBondContact O-N 3.48Å; V74-T78 HydrophobicContact CG1-CG2 4.31Å; V74-T78 PolarHBondContact O-N 2.72Å; V74-I94 HydrophobicContact CG1-CB 4.39Å; V74-I94 HydrophobicContact CG1-CD1 3.71Å; V74-I94 HydrophobicContact CG1-CG2 4.05Å; V74-I94 HydrophobicContact CG2-CG2 4.03Å | ||
| 75 | E | 76.1 | Confident | 82.8 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 126.9 | 178.8 | -156.6 | 166 | -172.9 | 0 | 0 | 111.4 | A60 S73 K77 | A60-E75 HydrophobicContact CB-CB 4.04Å; A60-E75 HydrophobicContact CB-CG 4.11Å; S73-E75 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 3.13Å |
| 76 | G | 68.9 | Low | 83 | Confident | 59 Ų | 59 | 78 Ų | 78 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -13.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | V74 H79 | V74-G76 PolarHBondContact O-N 2.99Å; G76-H79 PolarHBondContact O-CE1 3.16Å; G76-H79 VanDerWaalsContact O-CE1 3.28Å; G76-H79 PolarHBondContact O-ND1 3.49Å; G76-H79 VanDerWaalsContact O-ND1 3.13Å |
| 77 | K | 75.3 | Confident | 83.2 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 48% | 0.478 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 7 | -179.6 | -66.5 | 175.7 | -175 | 165.4 | 0 | 113.7 | V74 E75 H79 Q80 V83 I94 | V74-K77 HydrophobicContact CG1-CB 4.44Å; V74-K77 PolarHBondContact O-N 3.48Å; E75-K77 PolarHBondContact O-N 3.13Å; K77-H79 PolarHBondContact O-N 3.05Å; K77-H79 VanDerWaalsContact O-N 3.12Å; K77-Q80 WeakPolarHBondContact O-CB 3.43Å; K77-Q80 PolarHBondContact O-N 3.47Å; K77-V83 HydrophobicContact CB-CG1 4.22Å; K77-I94 WeakPolarHBondContact O-CD1 2.98Å |
| 78 | T | 74.6 | Confident | 83.3 | Confident | 71 Ų | 71 | 73 Ų | 73 | 44% | 0.436 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.6 | 179.2 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | P61 V74 Q80 K95 | P61-T78 HydrophobicContact CG-CG2 4.01Å; V74-T78 HydrophobicContact CG1-CG2 4.31Å; V74-T78 PolarHBondContact O-N 2.72Å; T78-Q80 VanDerWaalsContact C-N 3.28Å; T78-Q80 PolarHBondContact O-N 3.5Å; T78-K95 WeakPolarHBondContact O-CE 3.31Å; T78-K95 PolarHBondContact O-NZ 3.06Å |
| 79 | H | 78.3 | Confident | 83.5 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -22.3 | 174.7 | 65.3 | -87.2 | 0 | 0 | 0 | 113 | G76 K77 | G76-H79 PolarHBondContact O-CE1 3.16Å; G76-H79 VanDerWaalsContact O-CE1 3.28Å; G76-H79 PolarHBondContact O-ND1 3.49Å; G76-H79 VanDerWaalsContact O-ND1 3.13Å; K77-H79 PolarHBondContact O-N 3.05Å; K77-H79 VanDerWaalsContact O-N 3.12Å |
| 80 | Q | 83.8 | Confident | 83.6 | Confident | 83 Ų | 83 | 70 Ų | 70 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -82 | 159.3 | 179.1 | -55.6 | -176 | 30.4 | 0 | 0 | 110.5 | K77 T78 I94 | K77-Q80 WeakPolarHBondContact O-CB 3.43Å; K77-Q80 PolarHBondContact O-N 3.47Å; T78-Q80 VanDerWaalsContact C-N 3.28Å; T78-Q80 PolarHBondContact O-N 3.5Å; Q80-I94 HydrophobicContact CB-CD1 4.39Å; Q80-I94 WeakPolarHBondContact O-CD1 3.33Å; Q80-I94 WeakPolarHBondContact O-CG1 3.47Å |
| 81 | H | 83.3 | Confident | 83.8 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 38% | 0.375 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -94.7 | -19.6 | 176 | -72 | 63.4 | 0 | 0 | 0 | 112.8 | I94 K95 N96 Y103 | H81-I94 VanDerWaalsContact C-CG1 3.43Å; H81-I94 WeakPolarHBondContact O-CG1 3.2Å; H81-I94 PolarHBondContact O-N 3.26Å; H81-K95 PolarHBondContact O-N 2.93Å; H81-N96 PolarHBondContact CD2-O 2.78Å; H81-Y103 WeakPolarHBondContact CB-OH 3.46Å |
| 82 | V | 87.4 | Confident | 83.9 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.3 | -174.9 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | A91 Y103 L111 | V82-A91 HydrophobicContact CG1-CB 3.69Å; V82-Y103 HydrophobicContact CG2-CE1 3.79Å; V82-Y103 WeakPolarHBondContact CG2-OH 3.42Å; V82-L111 HydrophobicContact CG1-CD2 3.79Å; V82-L111 HydrophobicContact CG2-CD2 4.18Å |
| 83 | V | 90.2 | Very high | 84 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152.4 | 172.4 | -60.7 | 0 | 0 | 0 | 0 | 109.9 | I63 I72 K77 A91 T92 I94 | I63-V83 HydrophobicContact CG2-CG2 4.4Å; I72-V83 HydrophobicContact CD1-CG2 4.49Å; I72-V83 HydrophobicContact CG2-CG2 4.22Å; K77-V83 HydrophobicContact CB-CG1 4.22Å; V83-A91 CarbonylContact O-C 3.53Å; V83-A91 WeakPolarHBondContact O-CA 3.39Å; V83-T92 PolarHBondContact N-O 3.37Å; V83-T92 PolarHBondContact O-N 3.47Å; V83-I94 HydrophobicContact CB-CG2 4.37Å; V83-I94 HydrophobicContact CG1-CD1 3.7Å; V83-I94 HydrophobicContact CG1-CG1 4.19Å; V83-I94 HydrophobicContact CG1-CG2 3.93Å; V83-I94 HydrophobicContact CG2-CG2 3.61Å |
| 84 | K | 89.9 | Confident | 84.1 | Confident | 162 Ų | 162 | 65.7 Ų | 65.7 | 70% | 0.704 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.3 | 172.4 | -64.9 | -179.3 | -176.9 | 176 | 0 | 109.3 | ||
| 85 | C | 88.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.014 | 38% | 0.376 | C | S | . | . | trans | -67.6 | 134.5 | 170.5 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | C65 I72 I87 C88 N89 E90 | C65-C85 HydrophobicContact CB-CB 4.21Å; I72-C85 HydrophobicContact CD1-CB 3.85Å; C85-I87 VanDerWaalsContact C-N 3.26Å; C85-I87 PolarHBondContact O-N 3.47Å; C85-I87 PolarHBondContact SG-N 3.43Å; C85-C88 VanDerWaalsContact CB-SG 3.56Å; C85-C88 VanDerWaalsContact SG-SG 3.63Å; C85-N89 WeakPolarHBondContact O-CA 3.2Å; C85-N89 PolarHBondContact O-N 2.86Å; C85-E90 PolarHBondContact N-O 2.62Å | ||
| 86 | S | 87.8 | Confident | 84.6 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 72% | 0.72 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23.1 | 176.8 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 87 | I | 89 | Confident | 85.4 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -55.7 | -174.5 | -66.3 | 161.5 | 0 | 0 | 0 | 110.9 | T70 C85 | T70-I87 VanDerWaalsContact CB-CD1 3.48Å; T70-I87 HydrophobicContact CG2-CD1 3.14Å; T70-I87 WeakPolarHBondContact OG1-CD1 3.23Å; C85-I87 VanDerWaalsContact C-N 3.26Å; C85-I87 PolarHBondContact O-N 3.47Å; C85-I87 PolarHBondContact SG-N 3.43Å |
| 88 | C | 85.7 | Confident | 85.9 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -0.6 | -177.7 | 63.2 | 0 | 0 | 0 | 0 | 114 | C65 V67 C68 C85 E90 | C65-C88 PolarHBondContact SG-SG 3.13Å; V67-C88 HydrophobicContact CG1-CB 4.39Å; C68-C88 HydrophobicContact CB-CB 4.32Å; C85-C88 VanDerWaalsContact CB-SG 3.56Å; C85-C88 VanDerWaalsContact SG-SG 3.63Å; C88-E90 PolarHBondContact O-N 3.05Å |
| 89 | N | 88.4 | Confident | 86.5 | Confident | 119 Ų | 119 | 71.9 Ų | 71.9 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | trans | 57.3 | 10.8 | -177.3 | -67.5 | -47.9 | 0 | 0 | 0 | 115.5 | C85 | C85-N89 WeakPolarHBondContact O-CA 3.2Å; C85-N89 PolarHBondContact O-N 2.86Å | ||
| 90 | E | 89.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 11% | 0.112 | 37% | 0.373 | C | S | . | . | trans | -84.9 | 141.4 | 179.5 | -71 | -70.9 | -176.8 | 0 | 0 | 111.9 | V67 C85 C88 N109 R125 | V67-E90 HydrophobicContact CG2-CB 3.87Å; V67-E90 HydrophobicContact CG2-CG 3.99Å; C85-E90 PolarHBondContact N-O 2.62Å; C88-E90 PolarHBondContact O-N 3.05Å; E90-N109 HydrophobicContact CG-CB 4.4Å; E90-R125 IonicContact OE1-CZ 3.59Å; E90-R125 IonicContact OE1-NH1 3.82Å; E90-R125 IonicContact OE1-NH2 2.62Å; E90-R125 PolarHBondContact OE1-NH2 2.82Å; E90-R125 IonicContact OE2-NH2 3.47Å; E90-R125 PolarHBondContact OE2-NH2 2.95Å | ||
| 91 | A | 89.6 | Confident | 87.1 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V82 V83 R105 L111 | V82-A91 HydrophobicContact CG1-CB 3.69Å; V83-A91 CarbonylContact O-C 3.53Å; V83-A91 WeakPolarHBondContact O-CA 3.39Å; A91-R105 PolarHBondContact O-NH2 3.31Å; A91-L111 HydrophobicContact CB-CB 3.9Å; A91-L111 HydrophobicContact CB-CD2 3.9Å |
| 92 | T | 87.1 | Confident | 87.4 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.043 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.2 | 178.8 | -53.7 | 0 | 0 | 0 | 0 | 108.6 | I63 V83 | I63-T92 HydrophobicContact CD1-CG2 4.1Å; I63-T92 HydrophobicContact CG1-CG2 4.41Å; V83-T92 PolarHBondContact N-O 3.37Å; V83-T92 PolarHBondContact O-N 3.47Å |
| 93 | P | 86.4 | Confident | 87.6 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 133.4 | 178.4 | 29.9 | -32.5 | 0 | 0 | 0 | 110 | I63 Y103 L111 | I63-P93 WeakPolarHBondContact CD1-O 3.5Å; P93-Y103 HydrophobicContact CB-CD2 3.75Å; P93-Y103 HydrophobicContact CB-CE2 3.79Å; P93-Y103 HydrophobicContact CB-CG 4.33Å; P93-Y103 HydrophobicContact CG-CD2 4.47Å; P93-L111 HydrophobicContact CB-CD2 4.45Å |
| 94 | I | 85.6 | Confident | 87.6 | Confident | 39 Ų | 39 | 68 Ų | 68 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | trans | -106.5 | -20.9 | 176.5 | 50.7 | 163.8 | 0 | 0 | 0 | 112.8 | I63 V74 K77 Q80 H81 V83 | I63-I94 HydrophobicContact CD1-CB 4.49Å; I63-I94 HydrophobicContact CD1-CG2 3.8Å; I63-I94 HydrophobicContact CG2-CG2 4Å; V74-I94 HydrophobicContact CG1-CB 4.39Å; V74-I94 HydrophobicContact CG1-CD1 3.71Å; V74-I94 HydrophobicContact CG1-CG2 4.05Å; V74-I94 HydrophobicContact CG2-CG2 4.03Å; K77-I94 WeakPolarHBondContact O-CD1 2.98Å; Q80-I94 HydrophobicContact CB-CD1 4.39Å; Q80-I94 WeakPolarHBondContact O-CD1 3.33Å; Q80-I94 WeakPolarHBondContact O-CG1 3.47Å; H81-I94 VanDerWaalsContact C-CG1 3.43Å; H81-I94 WeakPolarHBondContact O-CG1 3.2Å; H81-I94 PolarHBondContact O-N 3.26Å; V83-I94 HydrophobicContact CB-CG2 4.37Å; V83-I94 HydrophobicContact CG1-CD1 3.7Å; V83-I94 HydrophobicContact CG1-CG1 4.19Å; V83-I94 HydrophobicContact CG1-CG2 3.93Å; V83-I94 HydrophobicContact CG2-CG2 3.61Å | ||
| 95 | K | 83.9 | Confident | 87.7 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -126.6 | 162.2 | 174.5 | -71.2 | -179 | 166.7 | 173.5 | 0 | 109.9 | T78 H81 Y103 | T78-K95 WeakPolarHBondContact O-CE 3.31Å; T78-K95 PolarHBondContact O-NZ 3.06Å; H81-K95 PolarHBondContact O-N 2.93Å; K95-Y103 WeakPolarHBondContact O-CE2 3.46Å |
| 96 | N | 83.1 | Confident | 87.8 | Confident | 151 Ų | 151 | 62.8 Ų | 62.8 | 81% | 0.807 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 150.2 | 168.1 | -66.8 | -33.4 | 0 | 0 | 0 | 110.2 | H81 | H81-N96 PolarHBondContact CD2-O 2.78Š|
| 97 | A | 85.9 | Confident | 87.9 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 145.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | K101 Y103 | A97-K101 HydrophobicContact CB-CB 4.46Å; A97-K101 WeakPolarHBondContact CB-O 3.38Å; A97-Y103 VanDerWaalsContact CA-CE2 3.49Å; A97-Y103 HydrophobicContact CB-CD2 3.83Å; A97-Y103 HydrophobicContact CB-CE2 3.71Å; A97-Y103 HydrophobicContact CB-CG 4.36Å |
| 98 | P | 86.4 | Confident | 88 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 156.4 | 175.1 | 26 | -35.2 | 0 | 0 | 0 | 110.7 | G100 K101 I113 | P98-G100 PolarHBondContact O-N 2.94Å; P98-K101 HydrophobicContact CG-CB 4.29Å; P98-K101 HydrophobicContact CG-CD 4.07Å; P98-K101 HydrophobicContact CG-CG 4.47Å; P98-K101 WeakPolarHBondContact O-CB 3.36Å; P98-K101 PolarHBondContact O-N 3.39Å; P98-I113 HydrophobicContact CG-CD1 4.07Å |
| 99 | I | 85.8 | Confident | 88.2 | Confident | 179 Ų | 179 | 60.1 Ų | 60.1 | 92% | 0.918 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 131.6 | -172.3 | -56.6 | 171 | 0 | 0 | 0 | 110.9 | K101 | I99-K101 VanDerWaalsContact C-N 3.28Å; I99-K101 PolarHBondContact O-N 3.03Å |
| 100 | G | 85.8 | Confident | 88.3 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 39% | 0.392 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 2.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P98 V116 | P98-G100 PolarHBondContact O-N 2.94Å; G100-V116 PolarHBondContact O-N 2.92Å |
| 101 | K | 89.3 | Confident | 88.4 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 158.4 | 174.7 | -57.1 | -172.2 | -172.1 | 171.1 | 0 | 111.5 | A97 P98 I99 I113 C114 | A97-K101 HydrophobicContact CB-CB 4.46Å; A97-K101 WeakPolarHBondContact CB-O 3.38Å; P98-K101 HydrophobicContact CG-CB 4.29Å; P98-K101 HydrophobicContact CG-CD 4.07Å; P98-K101 HydrophobicContact CG-CG 4.47Å; P98-K101 WeakPolarHBondContact O-CB 3.36Å; P98-K101 PolarHBondContact O-N 3.39Å; I99-K101 VanDerWaalsContact C-N 3.28Å; I99-K101 PolarHBondContact O-N 3.03Å; K101-I113 HydrophobicContact CB-CD1 3.94Å; K101-I113 HydrophobicContact CB-CG1 3.85Å; K101-I113 HydrophobicContact CD-CD1 3.58Å; K101-I113 HydrophobicContact CD-CG1 3.91Å; K101-I113 HydrophobicContact CG-CD1 4.38Å; K101-I113 HydrophobicContact CG-CG1 4.43Å; K101-C114 CarbonylContact C-O 3.58Å; K101-C114 WeakPolarHBondContact CA-O 3.4Å |
| 102 | K | 89.8 | Confident | 88.5 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.5 | 174.1 | 64 | -175.4 | 176.8 | -163.3 | 0 | 110.7 | V104 C114 V116 S118 | K102-V104 HydrophobicContact CD-CG2 4.48Å; K102-V104 HydrophobicContact CG-CG2 4.22Å; K102-C114 WeakPolarHBondContact CE-SG 2.94Å; K102-C114 WeakPolarHBondContact CG-SG 3.23Å; K102-C114 PolarHBondContact N-O 2.68Å; K102-C114 PolarHBondContact O-N 3.12Å; K102-V116 HydrophobicContact CB-CG1 4.17Å; K102-V116 HydrophobicContact CG-CG1 4.48Å; K102-V116 PolarHBondContact NZ-O 3.06Å; K102-S118 PolarHBondContact NZ-O 3.45Å |
| 103 | Y | 91.4 | Very high | 88.8 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 134.7 | 170.2 | -66.8 | -57.7 | 0 | 0 | 0 | 110.6 | H81 V82 P93 K95 A97 L111 L112 I113 | H81-Y103 WeakPolarHBondContact CB-OH 3.46Å; V82-Y103 HydrophobicContact CG2-CE1 3.79Å; V82-Y103 WeakPolarHBondContact CG2-OH 3.42Å; P93-Y103 HydrophobicContact CB-CD2 3.75Å; P93-Y103 HydrophobicContact CB-CE2 3.79Å; P93-Y103 HydrophobicContact CB-CG 4.33Å; P93-Y103 HydrophobicContact CG-CD2 4.47Å; K95-Y103 WeakPolarHBondContact O-CE2 3.46Å; A97-Y103 VanDerWaalsContact CA-CE2 3.49Å; A97-Y103 HydrophobicContact CB-CD2 3.83Å; A97-Y103 HydrophobicContact CB-CE2 3.71Å; A97-Y103 HydrophobicContact CB-CG 4.36Å; Y103-L111 HydrophobicContact CD1-CD1 4.41Å; Y103-L111 HydrophobicContact CD1-CD2 4.38Å; Y103-L111 HydrophobicContact CD1-CG 4.35Å; Y103-L111 HydrophobicContact CG-CD1 4.45Å; Y103-L112 CarbonylContact C-O 3.57Å; Y103-L112 WeakPolarHBondContact CA-O 3.33Å; Y103-I113 HydrophobicContact CD1-CB 4.3Å; Y103-I113 HydrophobicContact CD1-CG1 4.49Å; Y103-I113 HydrophobicContact CE1-CB 4.27Å; Y103-I113 HydrophobicContact CE1-CD1 4.09Å; Y103-I113 HydrophobicContact CE1-CG1 4.31Å |
| 104 | V | 91.4 | Very high | 89 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.7 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | K102 L112 C114 I121 I132 L134 | K102-V104 HydrophobicContact CD-CG2 4.48Å; K102-V104 HydrophobicContact CG-CG2 4.22Å; V104-L112 PolarHBondContact N-O 2.95Å; V104-L112 WeakPolarHBondContact O-CA 3.48Å; V104-L112 WeakPolarHBondContact O-CB 3.35Å; V104-L112 PolarHBondContact O-N 3.31Å; V104-C114 VanDerWaalsContact CG2-SG 3.54Å; V104-I121 HydrophobicContact CB-CD1 3.95Å; V104-I121 HydrophobicContact CG1-CD1 3.92Å; V104-I121 HydrophobicContact CG2-CD1 4.31Å; V104-I132 HydrophobicContact CG1-CD1 4.45Å; V104-I132 HydrophobicContact CG1-CG2 4.43Å; V104-L134 HydrophobicContact CB-CD2 4.35Å; V104-L134 HydrophobicContact CG1-CD2 3.91Å; V104-L134 HydrophobicContact CG2-CD1 4.13Å; V104-L134 HydrophobicContact CG2-CD2 3.47Å; V104-L134 VanDerWaalsContact CG2-CD2 3.47Å; V104-L134 HydrophobicContact CG2-CG 4.42Å |
| 105 | R | 91.3 | Very high | 89.2 | Confident | 52 Ų | 52 | 62 Ų | 62 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.2 | 176.7 | -170.3 | 165.9 | -105.8 | -94.7 | -4.1 | 109.2 | A91 N109 | A91-R105 PolarHBondContact O-NH2 3.31Å; R105-N109 VanDerWaalsContact NH1-CB 3.34Å; R105-N109 PolarHBondContact NH1-O 3.43Å; R105-N109 PolarHBondContact NH1-OD1 2.96Å; R105-N109 VanDerWaalsContact NH1-OD1 3.13Å; R105-N109 PolarHBondContact NH2-O 2.78Å |
| 106 | C | 91.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | trans | -69.8 | 152.5 | 172.6 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | C108 N109 C110 L112 C123 I132 | C106-C108 PolarHBondContact O-N 2.9Å; C106-C108 PolarHBondContact SG-SG 2.69Å; C106-N109 WeakPolarHBondContact O-CA 3.42Å; C106-N109 PolarHBondContact O-N 2.9Å; C106-C110 HydrophobicContact CB-CB 4.19Å; C106-C110 PolarHBondContact N-O 3.13Å; C106-L112 HydrophobicContact CB-CD1 4.21Å; C106-C123 HydrophobicContact CB-CB 4.44Å; C106-I132 HydrophobicContact CB-CD1 3.86Å | ||
| 107 | P | 89.8 | Confident | 89.2 | Confident | 95 Ų | 95 | 57 Ų | 57 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -12.6 | 174.4 | -18.5 | 28.3 | 0 | 0 | 0 | 114.2 | N109 | P107-N109 PolarHBondContact O-N 3.04Š|
| 108 | C | 89.4 | Confident | 89.2 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 15.3 | 168.6 | 70.9 | 0 | 0 | 0 | 0 | 113.6 | C106 C110 C123 R125 C128 | C106-C108 PolarHBondContact O-N 2.9Å; C106-C108 PolarHBondContact SG-SG 2.69Å; C108-C110 PolarHBondContact O-N 3.28Å; C108-C110 VanDerWaalsContact O-N 3.16Å; C108-C123 PolarHBondContact SG-SG 3.15Å; C108-R125 PolarHBondContact O-NH1 3.01Å; C108-C128 HydrophobicContact CB-CB 4.07Å; C108-C128 VanDerWaalsContact CB-SG 3.58Å; C108-C128 PolarHBondContact SG-SG 3.35Å |
| 109 | N | 89.8 | Confident | 89.2 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 68.5 | -3.6 | -176.9 | -68.8 | -43.4 | 0 | 0 | 0 | 117.4 | V67 E90 R105 C106 P107 L111 | V67-N109 HydrophobicContact CG2-CB 4.22Å; E90-N109 HydrophobicContact CG-CB 4.4Å; R105-N109 VanDerWaalsContact NH1-CB 3.34Å; R105-N109 PolarHBondContact NH1-O 3.43Å; R105-N109 PolarHBondContact NH1-OD1 2.96Å; R105-N109 VanDerWaalsContact NH1-OD1 3.13Å; R105-N109 PolarHBondContact NH2-O 2.78Å; C106-N109 WeakPolarHBondContact O-CA 3.42Å; C106-N109 PolarHBondContact O-N 2.9Å; P107-N109 PolarHBondContact O-N 3.04Å; N109-L111 PolarHBondContact O-N 3.48Å |
| 110 | C | 91 | Very high | 89.4 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | trans | -62.9 | 122.3 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | C106 C108 | C106-C110 HydrophobicContact CB-CB 4.19Å; C106-C110 PolarHBondContact N-O 3.13Å; C108-C110 PolarHBondContact O-N 3.28Å; C108-C110 VanDerWaalsContact O-N 3.16Å | ||
| 111 | L | 92.4 | Very high | 89.8 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.1 | 171.9 | -173.2 | 69.4 | 0 | 0 | 0 | 110 | V82 A91 P93 Y103 N109 | V82-L111 HydrophobicContact CG1-CD2 3.79Å; V82-L111 HydrophobicContact CG2-CD2 4.18Å; A91-L111 HydrophobicContact CB-CB 3.9Å; A91-L111 HydrophobicContact CB-CD2 3.9Å; P93-L111 HydrophobicContact CB-CD2 4.45Å; Y103-L111 HydrophobicContact CD1-CD1 4.41Å; Y103-L111 HydrophobicContact CD1-CD2 4.38Å; Y103-L111 HydrophobicContact CD1-CG 4.35Å; Y103-L111 HydrophobicContact CG-CD1 4.45Å; N109-L111 PolarHBondContact O-N 3.48Å |
| 112 | L | 92.5 | Very high | 90 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.2 | -178.2 | -58.1 | 168.5 | 0 | 0 | 0 | 109.6 | Y103 V104 C106 I121 P124 I132 | Y103-L112 CarbonylContact C-O 3.57Å; Y103-L112 WeakPolarHBondContact CA-O 3.33Å; V104-L112 PolarHBondContact N-O 2.95Å; V104-L112 WeakPolarHBondContact O-CA 3.48Å; V104-L112 WeakPolarHBondContact O-CB 3.35Å; V104-L112 PolarHBondContact O-N 3.31Å; C106-L112 HydrophobicContact CB-CD1 4.21Å; L112-I121 HydrophobicContact CB-CD1 4.2Å; L112-I121 HydrophobicContact CD1-CD1 3.8Å; L112-P124 HydrophobicContact CD2-CG 3.91Å; L112-I132 HydrophobicContact CD1-CD1 3.99Å |
| 113 | I | 92 | Very high | 90.2 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 45% | 0.446 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.1 | 168.5 | -170.7 | 168 | 0 | 0 | 0 | 108.4 | P98 K101 Y103 | P98-I113 HydrophobicContact CG-CD1 4.07Å; K101-I113 HydrophobicContact CB-CD1 3.94Å; K101-I113 HydrophobicContact CB-CG1 3.85Å; K101-I113 HydrophobicContact CD-CD1 3.58Å; K101-I113 HydrophobicContact CD-CG1 3.91Å; K101-I113 HydrophobicContact CG-CD1 4.38Å; K101-I113 HydrophobicContact CG-CG1 4.43Å; Y103-I113 HydrophobicContact CD1-CB 4.3Å; Y103-I113 HydrophobicContact CD1-CG1 4.49Å; Y103-I113 HydrophobicContact CE1-CB 4.27Å; Y103-I113 HydrophobicContact CE1-CD1 4.09Å; Y103-I113 HydrophobicContact CE1-CG1 4.31Å |
| 114 | C | 91.3 | Very high | 90.2 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 163 | 178.8 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | K101 K102 V104 I121 | K101-C114 CarbonylContact C-O 3.58Å; K101-C114 WeakPolarHBondContact CA-O 3.4Å; K102-C114 WeakPolarHBondContact CE-SG 2.94Å; K102-C114 WeakPolarHBondContact CG-SG 3.23Å; K102-C114 PolarHBondContact N-O 2.68Å; K102-C114 PolarHBondContact O-N 3.12Å; V104-C114 VanDerWaalsContact CG2-SG 3.54Å; C114-I121 HydrophobicContact CB-CD1 4.39Å; C114-I121 HydrophobicContact CB-CG2 3.73Å |
| 115 | K | 89.6 | Confident | 90.3 | Very high | 129 Ų | 129 | 60.6 Ų | 60.6 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 144 | 173.6 | -170.4 | 174.3 | 174 | 177.3 | 0 | 108.4 | T117 S118 | K115-T117 VanDerWaalsContact CD-OG1 3.24Å; K115-T117 WeakPolarHBondContact CD-OG1 3.49Å; K115-T117 VanDerWaalsContact CE-OG1 3.28Å; K115-T117 WeakPolarHBondContact CE-OG1 3.4Å; K115-T117 WeakPolarHBondContact CG-OG1 3.44Å; K115-T117 PolarHBondContact O-N 2.78Å; K115-T117 VanDerWaalsContact O-N 3.14Å; K115-S118 WeakPolarHBondContact CB-OG 3.48Å; K115-S118 PolarHBondContact N-OG 3.49Å; K115-S118 VanDerWaalsContact O-CB 3.22Å; K115-S118 WeakPolarHBondContact O-CB 3.48Å; K115-S118 PolarHBondContact O-N 2.84Å; K115-S118 PolarHBondContact O-OG 3.36Å |
| 116 | V | 85.7 | Confident | 90.3 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.8 | 178.8 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | G100 K102 S118 | G100-V116 PolarHBondContact O-N 2.92Å; K102-V116 HydrophobicContact CB-CG1 4.17Å; K102-V116 HydrophobicContact CG-CG1 4.48Å; K102-V116 PolarHBondContact NZ-O 3.06Å; V116-S118 VanDerWaalsContact C-N 3.33Å; V116-S118 PolarHBondContact O-N 3.35Å |
| 117 | T | 82.2 | Confident | 90.3 | Very high | 84 Ų | 84 | 73.3 Ų | 73.3 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -6.7 | 176.6 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | K115 Q119 | K115-T117 VanDerWaalsContact CD-OG1 3.24Å; K115-T117 WeakPolarHBondContact CD-OG1 3.49Å; K115-T117 VanDerWaalsContact CE-OG1 3.28Å; K115-T117 WeakPolarHBondContact CE-OG1 3.4Å; K115-T117 WeakPolarHBondContact CG-OG1 3.44Å; K115-T117 PolarHBondContact O-N 2.78Å; K115-T117 VanDerWaalsContact O-N 3.14Å; T117-Q119 PolarHBondContact O-N 3.47Å |
| 118 | S | 84.2 | Confident | 90.4 | Very high | 34 Ų | 34 | 70.1 Ų | 70.1 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | trans | -66.4 | 120.6 | 178.3 | -65.9 | 0 | 0 | 0 | 0 | 109.8 | K102 K115 V116 L134 | K102-S118 PolarHBondContact NZ-O 3.45Å; K115-S118 WeakPolarHBondContact CB-OG 3.48Å; K115-S118 PolarHBondContact N-OG 3.49Å; K115-S118 VanDerWaalsContact O-CB 3.22Å; K115-S118 WeakPolarHBondContact O-CB 3.48Å; K115-S118 PolarHBondContact O-N 2.84Å; K115-S118 PolarHBondContact O-OG 3.36Å; V116-S118 VanDerWaalsContact C-N 3.33Å; V116-S118 PolarHBondContact O-N 3.35Å; S118-L134 WeakPolarHBondContact O-CB 3.37Å; S118-L134 WeakPolarHBondContact O-CD1 3.22Å | ||
| 119 | Q | 87.7 | Confident | 90.5 | Very high | 125 Ų | 125 | 76 Ų | 76 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | trans | -91.9 | -23.8 | 177.2 | -67.2 | 179.2 | -24.3 | 0 | 0 | 112.8 | T117 N133 L134 | T117-Q119 PolarHBondContact O-N 3.47Å; Q119-N133 CarbonylContact O-C 3.57Å; Q119-N133 WeakPolarHBondContact O-CA 3.48Å; Q119-L134 WeakPolarHBondContact CA-O 3.22Å; Q119-L134 PolarHBondContact O-N 2.85Å | ||
| 120 | K | 90 | Very high | 90.6 | Very high | 135 Ų | 135 | 78.6 Ų | 78.6 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 128.4 | -177.2 | -168.3 | 179.2 | -173 | -176.8 | 0 | 109.5 | I131 I132 | K120-I131 HydrophobicContact CD-CG2 3.94Å; K120-I131 HydrophobicContact CG-CG2 3.6Å; K120-I132 WeakPolarHBondContact CA-O 3.39Å |
| 121 | I | 93.5 | Very high | 90.7 | Very high | 23 Ų | 23 | 82.2 Ų | 82.2 | 12% | 0.118 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 147 | 175.4 | 63.8 | 169.5 | 0 | 0 | 0 | 110.3 | V104 L112 C114 I131 I132 L134 | V104-I121 HydrophobicContact CB-CD1 3.95Å; V104-I121 HydrophobicContact CG1-CD1 3.92Å; V104-I121 HydrophobicContact CG2-CD1 4.31Å; L112-I121 HydrophobicContact CB-CD1 4.2Å; L112-I121 HydrophobicContact CD1-CD1 3.8Å; C114-I121 HydrophobicContact CB-CD1 4.39Å; C114-I121 HydrophobicContact CB-CG2 3.73Å; I121-I131 CarbonylContact O-C 3.57Å; I121-I131 WeakPolarHBondContact O-CA 3.27Å; I121-I132 HydrophobicContact CD1-CD1 4.31Å; I121-I132 HydrophobicContact CG1-CB 3.96Å; I121-I132 HydrophobicContact CG1-CD1 4.29Å; I121-I132 PolarHBondContact N-O 3.49Å; I121-I132 PolarHBondContact O-N 3.1Å; I121-L134 HydrophobicContact CB-CD1 4.47Å; I121-L134 HydrophobicContact CD1-CD1 3.89Å; I121-L134 HydrophobicContact CG1-CD1 3.84Å; I121-L134 HydrophobicContact CG2-CD1 3.91Å |
| 122 | A | 93.2 | Very high | 90.6 | Very high | 65 Ų | 65 | 82 Ų | 82 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | R130 | A122-R130 WeakPolarHBondContact CA-O 3.2Å |
| 123 | C | 94.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 87 Ų | 87 | 3% | 0.027 | 44% | 0.436 | C | S | . | . | trans | -71.1 | 130.1 | 171.9 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | C106 C108 R125 C128 K129 R130 | C106-C123 HydrophobicContact CB-CB 4.44Å; C108-C123 PolarHBondContact SG-SG 3.15Å; C123-R125 VanDerWaalsContact C-N 3.27Å; C123-R125 PolarHBondContact O-N 3.38Å; C123-C128 HydrophobicContact CB-CB 4.32Å; C123-K129 WeakPolarHBondContact O-CA 3.25Å; C123-R130 PolarHBondContact N-O 3Å | ||
| 124 | P | 92.5 | Very high | 90 | Very high | 99 Ų | 99 | 84.2 Ų | 84.2 | 64% | 0.643 | 42% | 0.422 | S | S | * | . | trans | -76.7 | -8.9 | -178.5 | 32.2 | -35.4 | 0 | 0 | 0 | 113.6 | L112 | L112-P124 HydrophobicContact CD2-CG 3.91Š| ||
| 125 | R | 93.1 | Very high | 89.1 | Confident | 103 Ų | 103 | 86.3 Ų | 86.3 | 39% | 0.389 | 45% | 0.446 | S | S | . | . | trans | -62 | 131.7 | 179.2 | -81.6 | -168.8 | -178.5 | -166.2 | 3.8 | 110.4 | E90 C108 C123 Y127 C128 K129 | E90-R125 IonicContact OE1-CZ 3.59Å; E90-R125 IonicContact OE1-NH1 3.82Å; E90-R125 IonicContact OE1-NH2 2.62Å; E90-R125 PolarHBondContact OE1-NH2 2.82Å; E90-R125 IonicContact OE2-NH2 3.47Å; E90-R125 PolarHBondContact OE2-NH2 2.95Å; C108-R125 PolarHBondContact O-NH1 3.01Å; C123-R125 VanDerWaalsContact C-N 3.27Å; C123-R125 PolarHBondContact O-N 3.38Å; R125-Y127 PolarHBondContact O-N 3.35Å; R125-Y127 VanDerWaalsContact O-N 3.13Å; R125-C128 HydrophobicContact CB-CB 3.84Å; R125-C128 PolarHBondContact O-N 2.78Å; R125-K129 PolarHBondContact O-N 2.84Å; R125-K129 VanDerWaalsContact O-N 3.15Å | ||
| 126 | P | 91 | Very high | 87.9 | Confident | 89 Ų | 89 | 84.3 Ų | 84.3 | 58% | 0.578 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.4 | -175.2 | 21.8 | -32.7 | 0 | 0 | 0 | 112.8 | K129 | P126-K129 VanDerWaalsContact O-CE 3.31Å; P126-K129 WeakPolarHBondContact O-CE 3.19Å |
| 127 | Y | 90.7 | Very high | 86.4 | Confident | 231 Ų | 231 | 86.3 Ų | 86.3 | 91% | 0.906 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -10.8 | -179.6 | -55.4 | -68 | 0 | 0 | 0 | 115.1 | R125 | R125-Y127 PolarHBondContact O-N 3.35Å; R125-Y127 VanDerWaalsContact O-N 3.13Å |
| 128 | C | 92.8 | Very high | 85 | Confident | 29 Ų | 29 | 90.5 Ų | 90.5 | 20% | 0.196 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -53.7 | -179.8 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | C108 C123 R125 R130 | C108-C128 HydrophobicContact CB-CB 4.07Å; C108-C128 VanDerWaalsContact CB-SG 3.58Å; C108-C128 PolarHBondContact SG-SG 3.35Å; C123-C128 HydrophobicContact CB-CB 4.32Å; R125-C128 HydrophobicContact CB-CB 3.84Å; R125-C128 PolarHBondContact O-N 2.78Å; C128-R130 PolarHBondContact O-N 2.98Å |
| 129 | K | 90.9 | Very high | 83.4 | Confident | 150 Ų | 150 | 96.4 Ų | 96.4 | 65% | 0.652 | 50% | 0.499 | S | S | * | . | trans | 39.8 | 20.6 | -178.4 | -64 | -175 | 179.8 | 176.3 | 0 | 116 | C123 R125 P126 I131 | C123-K129 WeakPolarHBondContact O-CA 3.25Å; R125-K129 PolarHBondContact O-N 2.84Å; R125-K129 VanDerWaalsContact O-N 3.15Å; P126-K129 VanDerWaalsContact O-CE 3.31Å; P126-K129 WeakPolarHBondContact O-CE 3.19Å; K129-I131 PolarHBondContact O-N 3.48Å | ||
| 130 | R | 92.5 | Very high | 81.1 | Confident | 121 Ų | 121 | 93.6 Ų | 93.6 | 46% | 0.457 | 50% | 0.503 | S | S | . | . | trans | -73.2 | 133.5 | -170.7 | -177.4 | -179.5 | -72 | 127.6 | -8.7 | 109.4 | A122 C123 C128 | A122-R130 WeakPolarHBondContact CA-O 3.2Å; C123-R130 PolarHBondContact N-O 3Å; C128-R130 PolarHBondContact O-N 2.98Å | ||
| 131 | I | 92.1 | Very high | 78.7 | Confident | 93 Ų | 93 | 92.4 Ų | 92.4 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.6 | 172.1 | -65 | 174.9 | 0 | 0 | 0 | 108.9 | K120 I121 K129 | K120-I131 HydrophobicContact CD-CG2 3.94Å; K120-I131 HydrophobicContact CG-CG2 3.6Å; I121-I131 CarbonylContact O-C 3.57Å; I121-I131 WeakPolarHBondContact O-CA 3.27Å; K129-I131 PolarHBondContact O-N 3.48Å |
| 132 | I | 90.4 | Very high | 76.2 | Confident | 28 Ų | 28 | 99.5 Ų | 99.5 | 14% | 0.144 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.6 | 178.3 | -54.3 | 162.1 | 0 | 0 | 0 | 107.8 | V104 C106 L112 K120 I121 | V104-I132 HydrophobicContact CG1-CD1 4.45Å; V104-I132 HydrophobicContact CG1-CG2 4.43Å; C106-I132 HydrophobicContact CB-CD1 3.86Å; L112-I132 HydrophobicContact CD1-CD1 3.99Å; K120-I132 WeakPolarHBondContact CA-O 3.39Å; I121-I132 HydrophobicContact CD1-CD1 4.31Å; I121-I132 HydrophobicContact CG1-CB 3.96Å; I121-I132 HydrophobicContact CG1-CD1 4.29Å; I121-I132 PolarHBondContact N-O 3.49Å; I121-I132 PolarHBondContact O-N 3.1Å |
| 133 | N | 88.5 | Confident | 73.8 | Confident | 125 Ų | 125 | 100.9 Ų | 100.9 | 67% | 0.668 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 116 | 172.9 | -60.5 | -41.8 | 0 | 0 | 0 | 108.6 | Q119 | Q119-N133 CarbonylContact O-C 3.57Å; Q119-N133 WeakPolarHBondContact O-CA 3.48Å |
| 134 | L | 82.8 | Confident | 71.3 | Confident | 29 Ų | 29 | 107 Ų | 107 | 15% | 0.152 | 60% | 0.596 | C | S | . | * | trans | -94.4 | 110.7 | 174.2 | -67.1 | 151 | 0 | 0 | 0 | 105.7 | V104 S118 Q119 I121 | V104-L134 HydrophobicContact CB-CD2 4.35Å; V104-L134 HydrophobicContact CG1-CD2 3.91Å; V104-L134 HydrophobicContact CG2-CD1 4.13Å; V104-L134 HydrophobicContact CG2-CD2 3.47Å; V104-L134 VanDerWaalsContact CG2-CD2 3.47Å; V104-L134 HydrophobicContact CG2-CG 4.42Å; S118-L134 WeakPolarHBondContact O-CB 3.37Å; S118-L134 WeakPolarHBondContact O-CD1 3.22Å; Q119-L134 WeakPolarHBondContact CA-O 3.22Å; Q119-L134 PolarHBondContact O-N 2.85Å; I121-L134 HydrophobicContact CB-CD1 4.47Å; I121-L134 HydrophobicContact CD1-CD1 3.89Å; I121-L134 HydrophobicContact CG1-CD1 3.84Å; I121-L134 HydrophobicContact CG2-CD1 3.91Å | ||
| 135 | G | 73.6 | Confident | 68.7 | Low | 56 Ų | 56 | 109 Ų | 109 | 58% | 0.577 | 60% | 0.597 | S | S | * | * | trans | -52 | 151.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V137 | G135-V137 PolarHBondContact O-N 3.35Å; G135-V137 VanDerWaalsContact O-N 3.12Å | ||
| 136 | P | 64.6 | Low | 66.3 | Low | 86 Ų | 86 | 109 Ų | 109 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | trans | -58.3 | 119.3 | 177.8 | -16.4 | 28.7 | 0 | 0 | 0 | 109.6 | H138 | P136-H138 PolarHBondContact O-N 3.38Å; P136-H138 VanDerWaalsContact O-N 3.14Å | ||
| 137 | V | 54.5 | Low | 63.9 | Low | 103 Ų | 103 | 116.5 Ų | 116.5 | 62% | 0.624 | 63% | 0.627 | S | S | * | * | trans | -75.5 | 101.8 | 166.9 | 179.8 | 0 | 0 | 0 | 0 | 105.5 | G135 I139 | G135-V137 PolarHBondContact O-N 3.35Å; G135-V137 VanDerWaalsContact O-N 3.12Å; V137-I139 PolarHBondContact O-N 2.99Å | ||
| 138 | H | 51.9 | Low | 61.8 | Low | 173 Ų | 173 | 116.2 Ų | 116.2 | 80% | 0.801 | 62% | 0.624 | S | S | * | * | trans | -61 | 106.9 | 169.5 | -73.7 | -64.7 | 0 | 0 | 0 | 108.2 | P136 G140 | P136-H138 PolarHBondContact O-N 3.38Å; P136-H138 VanDerWaalsContact O-N 3.14Å; H138-G140 VanDerWaalsContact C-N 3.26Å; H138-G140 PolarHBondContact O-N 2.85Å | ||
| 139 | I | 50.2 | Low | 59.3 | Low | 158 Ų | 158 | 122.2 Ų | 122.2 | 81% | 0.81 | 65% | 0.649 | S | S | * | * | trans | -75.6 | 89 | 166.8 | -58.9 | 169.6 | 0 | 0 | 0 | 105.3 | V137 | V137-I139 PolarHBondContact O-N 2.99Š| ||
| 140 | G | 39.6 | Very low | 57.1 | Low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | -112.9 | 106.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | H138 | H138-G140 VanDerWaalsContact C-N 3.26Å; H138-G140 PolarHBondContact O-N 2.85Å | ||
| 141 | S | 39.5 | Very low | 55.2 | Low | 111 Ų | 111 | 120.7 Ų | 120.7 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | 9.8 | 128 | 147 | -178.5 | 0 | 0 | 0 | 0 | 117.3 | S143 | S141-S143 PolarHBondContact O-N 3.01Š| ||
| 142 | D | 40.8 | Very low | 53.4 | Low | 171 Ų | 171 | 117 Ų | 117 | 91% | 0.914 | 65% | 0.653 | S | S | * | * | trans | -37.6 | 117.9 | 164.6 | -68.3 | -62.7 | 0 | 0 | 0 | 112.9 | ||||
| 143 | S | 42.9 | Very low | 52.1 | Low | 94 Ų | 94 | 121.2 Ų | 121.2 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | trans | -157.3 | 127.8 | 162.1 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | S141 E145 | S141-S143 PolarHBondContact O-N 3.01Å; S143-E145 VanDerWaalsContact C-N 3.33Å; S143-E145 PolarHBondContact O-N 3.49Å | ||
| 144 | P | 43.3 | Very low | 51 | Low | 134 Ų | 134 | 123.8 Ų | 123.8 | 87% | 0.87 | 68% | 0.675 | S | S | * | * | trans | -80.8 | 81.3 | -179.2 | 33.1 | -30.8 | 0 | 0 | 0 | 109.3 | ||||
| 145 | E | 37 | Very low | 50.1 | Low | 140 Ų | 140 | 123.9 Ų | 123.9 | 65% | 0.654 | 68% | 0.677 | S | S | * | * | trans | -119.8 | 129.4 | 174.9 | -166.6 | 63.6 | -167 | 0 | 0 | 109.3 | S143 | S143-E145 VanDerWaalsContact C-N 3.33Å; S143-E145 PolarHBondContact O-N 3.49Å | ||
| 146 | P | 42.4 | Very low | 49.8 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | trans | -64.6 | 140.9 | -162.7 | 24.5 | -31.3 | 0 | 0 | 0 | 112.1 | R148 | P146-R148 PolarHBondContact O-N 2.95Š| ||
| 147 | R | 41.1 | Very low | 49.9 | Very low | 248 Ų | 248 | 119 Ų | 119 | 94% | 0.936 | 63% | 0.633 | S | S | * | * | trans | -20.4 | 95 | 176.5 | -70.8 | -179 | 173.8 | 179.2 | -0.7 | 114 | Q149 | R147-Q149 VanDerWaalsContact C-N 3.25Å; R147-Q149 PolarHBondContact O-N 2.78Å | ||
| 148 | R | 45.7 | Very low | 50.3 | Low | 225 Ų | 225 | 116.7 Ų | 116.7 | 85% | 0.849 | 63% | 0.629 | S | S | * | * | trans | -68.2 | 88.2 | 159.8 | -68.5 | -172.7 | -176.2 | 179.2 | 2.5 | 108.4 | P146 | P146-R148 PolarHBondContact O-N 2.95Š| ||
| 149 | Q | 42 | Very low | 51.1 | Low | 155 Ų | 155 | 113.2 Ų | 113.2 | 72% | 0.724 | 61% | 0.613 | S | S | * | * | trans | -47.5 | 136.5 | 145 | -72.4 | 174.8 | -2.7 | 0 | 0 | 106.4 | R147 V151 | R147-Q149 VanDerWaalsContact C-N 3.25Å; R147-Q149 PolarHBondContact O-N 2.78Å; Q149-V151 VanDerWaalsContact C-N 3.26Å; Q149-V151 PolarHBondContact O-N 3.24Å | ||
| 150 | P | 42.8 | Very low | 51.7 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 68% | 0.682 | 58% | 0.583 | S | S | * | * | trans | -59.8 | 103.8 | 167.6 | 24.7 | -28.6 | 0 | 0 | 0 | 105.1 | G152 | P150-G152 PolarHBondContact O-N 3.3Š| ||
| 151 | V | 52.8 | Low | 53 | Low | 134 Ų | 134 | 108.3 Ų | 108.3 | 81% | 0.812 | 58% | 0.582 | S | S | * | * | trans | -66.7 | 82.5 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 104.8 | Q149 L153 | Q149-V151 VanDerWaalsContact C-N 3.26Å; Q149-V151 PolarHBondContact O-N 3.24Å; V151-L153 PolarHBondContact O-N 3.5Å; V151-L153 VanDerWaalsContact O-N 3.14Å | ||
| 152 | G | 56 | Low | 54.2 | Low | 16 Ų | 16 | 106.5 Ų | 106.5 | 17% | 0.165 | 56% | 0.564 | C | S | . | * | trans | -62.2 | 114.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | P150 R154 | P150-G152 PolarHBondContact O-N 3.3Å; G152-R154 PolarHBondContact O-N 3.42Å; G152-R154 VanDerWaalsContact O-N 3.14Å | ||
| 153 | L | 62.4 | Low | 55.3 | Low | 116 Ų | 116 | 102.3 Ų | 102.3 | 61% | 0.607 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 117.8 | 174.2 | -168.1 | 71.8 | 0 | 0 | 0 | 106.6 | V151 V155 W166 | V151-L153 PolarHBondContact O-N 3.5Å; V151-L153 VanDerWaalsContact O-N 3.14Å; L153-V155 HydrophobicContact CB-CG2 4.29Å; L153-V155 HydrophobicContact CD2-CG2 3.9Å; L153-V155 HydrophobicContact CG-CG2 4.02Å; L153-V155 PolarHBondContact O-N 2.9Å; L153-V155 VanDerWaalsContact O-N 3.16Å; L153-W166 PolarHBondContact N-O 2.7Å; L153-W166 PolarHBondContact O-N 3.14Å; L153-W166 VanDerWaalsContact O-N 3.1Å |
| 154 | R | 64.6 | Low | 56.5 | Low | 179 Ų | 179 | 99 Ų | 99 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 109.1 | 170.8 | -72.6 | -176.1 | -174.2 | -125.2 | 4.3 | 107.3 | G152 L165 | G152-R154 PolarHBondContact O-N 3.42Å; G152-R154 VanDerWaalsContact O-N 3.14Å; R154-L165 HydrophobicContact CG-CD2 3.65Å; R154-L165 HydrophobicContact CG-CG 4.47Å |
| 155 | V | 63.6 | Low | 57.6 | Low | 30 Ų | 30 | 97.7 Ų | 97.7 | 18% | 0.182 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.5 | 178 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | L153 F164 W166 V186 | L153-V155 HydrophobicContact CB-CG2 4.29Å; L153-V155 HydrophobicContact CD2-CG2 3.9Å; L153-V155 HydrophobicContact CG-CG2 4.02Å; L153-V155 PolarHBondContact O-N 2.9Å; L153-V155 VanDerWaalsContact O-N 3.16Å; V155-F164 HydrophobicContact CB-CE1 4.1Å; V155-F164 HydrophobicContact CB-CE2 4.01Å; V155-F164 HydrophobicContact CB-CZ 3.71Å; V155-F164 HydrophobicContact CG1-CE1 4.17Å; V155-F164 HydrophobicContact CG1-CZ 3.85Å; V155-F164 PolarHBondContact N-O 3.16Å; V155-F164 VanDerWaalsContact O-CD1 3.25Å; V155-F164 WeakPolarHBondContact O-CD1 3.24Å; V155-F164 WeakPolarHBondContact O-CE1 3.42Å; V155-F164 PolarHBondContact O-N 3.42Å; V155-W166 HydrophobicContact CG2-CB 4.35Å; V155-V186 HydrophobicContact CG1-CG1 4.34Å; V155-V186 HydrophobicContact CG1-CG2 4.25Å; V155-V186 HydrophobicContact CG2-CG1 4.01Å |
| 156 | I | 67.4 | Low | 58.7 | Low | 40 Ų | 40 | 94.3 Ų | 94.3 | 21% | 0.205 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.6 | 174.5 | -62.1 | 168.4 | 0 | 0 | 0 | 107.7 | G158 T163 I256 | I156-G158 PolarHBondContact O-N 3.14Å; I156-T163 HydrophobicContact CG1-CG2 3.68Å; I156-I256 HydrophobicContact CD1-CD1 4.39Å |
| 157 | C | 67.4 | Low | 59.4 | Low | 1 Ų | 1 | 93.4 Ų | 93.4 | 1% | 0.007 | 48% | 0.478 | C | S | . | . | trans | -70.7 | 124.8 | 174.1 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | H159 C160 S161 N162 F164 S184 | C157-H159 PolarHBondContact O-N 2.99Å; C157-H159 VanDerWaalsContact O-N 3.1Å; C157-H159 PolarHBondContact SG-N 3.39Å; C157-C160 PolarHBondContact O-N 2.76Å; C157-C160 VanDerWaalsContact SG-SG 3.66Å; C157-S161 VanDerWaalsContact O-CA 3.27Å; C157-S161 WeakPolarHBondContact O-CA 3.48Å; C157-S161 PolarHBondContact O-N 3.32Å; C157-N162 PolarHBondContact N-O 3.49Å; C157-F164 HydrophobicContact CB-CD1 4.35Å; C157-F164 HydrophobicContact CB-CE1 4.1Å; C157-S184 PolarHBondContact SG-OG 2.95Å; C157-S184 VanDerWaalsContact SG-OG 3.35Å | ||
| 158 | G | 62.9 | Low | 60 | Low | 53 Ų | 53 | 89.5 Ų | 89.5 | 55% | 0.546 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I156 | I156-G158 PolarHBondContact O-N 3.14Š|
| 159 | H | 67.9 | Low | 60.5 | Low | 100 Ų | 100 | 86.3 Ų | 86.3 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -31.8 | 179.6 | -63.9 | -56.8 | 0 | 0 | 0 | 114.5 | C157 S184 | C157-H159 PolarHBondContact O-N 2.99Å; C157-H159 VanDerWaalsContact O-N 3.1Å; C157-H159 PolarHBondContact SG-N 3.39Å; H159-S184 PolarHBondContact CD2-OG 3.38Å |
| 160 | C | 64.4 | Low | 60.8 | Low | 26 Ų | 26 | 82.6 Ų | 82.6 | 18% | 0.176 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 4.3 | -175.5 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | C157 N162 C180 | C157-C160 PolarHBondContact O-N 2.76Å; C157-C160 VanDerWaalsContact SG-SG 3.66Å; C160-N162 PolarHBondContact O-N 3.12Å; C160-C180 WeakPolarHBondContact CB-SG 3.28Å; C160-C180 PolarHBondContact SG-SG 2.98Å |
| 161 | S | 65.6 | Low | 60.9 | Low | 95 Ų | 95 | 85.3 Ų | 85.3 | 66% | 0.664 | 47% | 0.468 | S | S | * | . | trans | 55.9 | 8.6 | 179.7 | 43.9 | 0 | 0 | 0 | 0 | 115.3 | C157 | C157-S161 VanDerWaalsContact O-CA 3.27Å; C157-S161 WeakPolarHBondContact O-CA 3.48Å; C157-S161 PolarHBondContact O-N 3.32Å | ||
| 162 | N | 65.2 | Low | 60.6 | Low | 72 Ų | 72 | 88.6 Ų | 88.6 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | trans | -78.2 | 137.9 | 176.3 | -73.6 | -25.8 | 0 | 0 | 0 | 110.5 | C157 C160 | C157-N162 PolarHBondContact N-O 3.49Å; C160-N162 PolarHBondContact O-N 3.12Å | ||
| 163 | T | 64.9 | Low | 60.5 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131.8 | 176.2 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | I156 | I156-T163 HydrophobicContact CG1-CG2 3.68Å |
| 164 | F | 67.5 | Low | 60.2 | Low | 24 Ų | 24 | 91.7 Ų | 91.7 | 11% | 0.105 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.9 | 170.6 | 63.8 | -87.2 | 0 | 0 | 0 | 110.2 | V155 C157 W166 V186 | V155-F164 HydrophobicContact CB-CE1 4.1Å; V155-F164 HydrophobicContact CB-CE2 4.01Å; V155-F164 HydrophobicContact CB-CZ 3.71Å; V155-F164 HydrophobicContact CG1-CE1 4.17Å; V155-F164 HydrophobicContact CG1-CZ 3.85Å; V155-F164 PolarHBondContact N-O 3.16Å; V155-F164 VanDerWaalsContact O-CD1 3.25Å; V155-F164 WeakPolarHBondContact O-CD1 3.24Å; V155-F164 WeakPolarHBondContact O-CE1 3.42Å; V155-F164 PolarHBondContact O-N 3.42Å; C157-F164 HydrophobicContact CB-CD1 4.35Å; C157-F164 HydrophobicContact CB-CE1 4.1Å; F164-W166 HydrophobicContact CD2-CB 4.39Å; F164-W166 HydrophobicContact CD2-CE3 4.25Å; F164-W166 HydrophobicContact CE2-CB 4.12Å; F164-W166 HydrophobicContact CE2-CD2 4.32Å; F164-W166 AromaticContact CE2-CE3 3.61Å; F164-W166 HydrophobicContact CE2-CE3 3.61Å; F164-W166 HydrophobicContact CE2-CZ3 4.41Å; F164-W166 PolarHBondContact O-N 3.1Å; F164-V186 HydrophobicContact CE2-CG2 4.12Å; F164-V186 HydrophobicContact CZ-CG2 3.64Å |
| 165 | L | 67.1 | Low | 59.8 | Low | 107 Ų | 107 | 83.3 Ų | 83.3 | 56% | 0.56 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 112.1 | 175.2 | -74.4 | 160.1 | 0 | 0 | 0 | 108 | R154 T167 | R154-L165 HydrophobicContact CG-CD2 3.65Å; R154-L165 HydrophobicContact CG-CG 4.47Å; L165-T167 PolarHBondContact O-N 3.14Å |
| 166 | W | 59.6 | Low | 59.7 | Low | 69 Ų | 69 | 91.5 Ų | 91.5 | 26% | 0.261 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 93.3 | 174.3 | -171.3 | -95.9 | 0 | 0 | 0 | 108.8 | L153 V155 F164 A175 V186 | L153-W166 PolarHBondContact N-O 2.7Å; L153-W166 PolarHBondContact O-N 3.14Å; L153-W166 VanDerWaalsContact O-N 3.1Å; V155-W166 HydrophobicContact CG2-CB 4.35Å; F164-W166 HydrophobicContact CD2-CB 4.39Å; F164-W166 HydrophobicContact CD2-CE3 4.25Å; F164-W166 HydrophobicContact CE2-CB 4.12Å; F164-W166 HydrophobicContact CE2-CD2 4.32Å; F164-W166 AromaticContact CE2-CE3 3.61Å; F164-W166 HydrophobicContact CE2-CE3 3.61Å; F164-W166 HydrophobicContact CE2-CZ3 4.41Å; F164-W166 PolarHBondContact O-N 3.1Å; W166-A175 HydrophobicContact CE3-CB 3.91Å; W166-A175 HydrophobicContact CH2-CB 3.32Å; W166-A175 HydrophobicContact CZ2-CB 4.36Å; W166-A175 HydrophobicContact CZ3-CB 3.06Å; W166-V186 HydrophobicContact CD2-CG1 4.45Å; W166-V186 HydrophobicContact CG-CG1 4.49Å |
| 167 | T | 57.3 | Low | 59.6 | Low | 84 Ų | 84 | 89.7 Ų | 89.7 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | trans | -101.3 | 119.8 | 174.1 | 56.4 | 0 | 0 | 0 | 0 | 108.6 | L165 | L165-T167 PolarHBondContact O-N 3.14Š| ||
| 168 | E | 54 | Low | 59.6 | Low | 165 Ų | 165 | 94.1 Ų | 94.1 | 77% | 0.771 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 79.1 | 99.1 | 174.1 | -58 | -178.3 | 167.7 | 0 | 0 | 116.3 | S170 | E168-S170 PolarHBondContact O-N 2.75Š|
| 169 | I | 55.7 | Low | 59.9 | Low | 158 Ų | 158 | 96.8 Ų | 96.8 | 81% | 0.81 | 50% | 0.497 | S | S | * | . | trans | 14.1 | 76.5 | 133.5 | -46.7 | 165.9 | 0 | 0 | 0 | 113.5 | ||||
| 170 | S | 47.9 | Very low | 59.7 | Low | 78 Ų | 78 | 94.5 Ų | 94.5 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | trans | -90.9 | 114.9 | 161.9 | -161.1 | 0 | 0 | 0 | 0 | 106.6 | E168 R172 | E168-S170 PolarHBondContact O-N 2.75Å; S170-R172 CarbonylContact O-C 3.48Å; S170-R172 PolarHBondContact O-N 2.88Å | ||
| 171 | D | 44.5 | Very low | 59.7 | Low | 161 Ų | 161 | 103.6 Ų | 103.6 | 86% | 0.861 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -55.7 | 10 | -176.2 | -99.7 | -29.8 | 0 | 0 | 0 | 116.4 | ||
| 172 | R | 47.7 | Very low | 59.4 | Low | 203 Ų | 203 | 105.2 Ų | 105.2 | 77% | 0.766 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -129.4 | 122.3 | 171.3 | -70.1 | -174.5 | 167 | 139.5 | -2.4 | 107.9 | S170 L174 | S170-R172 CarbonylContact O-C 3.48Å; S170-R172 PolarHBondContact O-N 2.88Å; R172-L174 PolarHBondContact O-N 3.09Å |
| 173 | T | 53.7 | Low | 59 | Low | 92 Ų | 92 | 104.9 Ų | 104.9 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -55.6 | 17.8 | 178.7 | 49.9 | 0 | 0 | 0 | 0 | 115.7 | S185 | T173-S185 WeakPolarHBondContact O-CA 3.43Å; T173-S185 WeakPolarHBondContact O-CB 3.37Å |
| 174 | L | 54.9 | Low | 58.5 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | trans | -121.3 | 99.9 | -177.7 | -89.2 | 72.4 | 0 | 0 | 0 | 109.8 | R172 V183 | R172-L174 PolarHBondContact O-N 3.09Å; L174-V183 HydrophobicContact CB-CG1 3.61Å; L174-V183 HydrophobicContact CD2-CG1 3.54Å; L174-V183 HydrophobicContact CG-CG1 3.41Å; L174-V183 VanDerWaalsContact CG-CG1 3.41Å | ||
| 175 | A | 56.9 | Low | 57.7 | Low | 3 Ų | 3 | 104.3 Ų | 104.3 | 3% | 0.025 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | W166 V183 S184 V186 | W166-A175 HydrophobicContact CE3-CB 3.91Å; W166-A175 HydrophobicContact CH2-CB 3.32Å; W166-A175 HydrophobicContact CZ2-CB 4.36Å; W166-A175 HydrophobicContact CZ3-CB 3.06Å; A175-V183 CarbonylContact O-C 3.59Å; A175-V183 WeakPolarHBondContact O-CA 3.21Å; A175-S184 WeakPolarHBondContact CB-O 3.47Å; A175-S184 PolarHBondContact N-O 3.01Å; A175-S184 PolarHBondContact O-N 2.9Å; A175-V186 HydrophobicContact CB-CB 4.26Å; A175-V186 HydrophobicContact CB-CG2 3.41Å; A175-V186 VanDerWaalsContact CB-CG2 3.41Å |
| 176 | R | 61.3 | Low | 56.9 | Low | 201 Ų | 201 | 100.7 Ų | 100.7 | 76% | 0.758 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126 | 164.8 | -78.1 | -179.8 | -172.2 | 179.2 | 2.1 | 109.1 | V183 | R176-V183 HydrophobicContact CG-CG2 3.92Å |
| 177 | C | 66.1 | Low | 56.5 | Low | 3 Ų | 3 | 98.8 Ų | 98.8 | 2% | 0.02 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 129.2 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | H179 R181 K182 | C177-H179 VanDerWaalsContact C-N 3.25Å; C177-H179 PolarHBondContact O-N 3.09Å; C177-H179 PolarHBondContact SG-N 3.15Å; C177-R181 WeakPolarHBondContact O-CA 3.43Å; C177-R181 PolarHBondContact O-N 2.7Å; C177-K182 PolarHBondContact N-O 3.01Å |
| 178 | P | 66.9 | Low | 56.2 | Low | 93 Ų | 93 | 98.9 Ų | 98.9 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24.7 | 178.4 | 25.8 | -33.1 | 0 | 0 | 0 | 113.1 | ||
| 179 | H | 69.3 | Low | 55.9 | Low | 110 Ų | 110 | 99.1 Ų | 99.1 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -36.3 | -179.1 | -61 | -75.4 | 0 | 0 | 0 | 113.1 | C177 | C177-H179 VanDerWaalsContact C-N 3.25Å; C177-H179 PolarHBondContact O-N 3.09Å; C177-H179 PolarHBondContact SG-N 3.15Å |
| 180 | C | 63.4 | Low | 55.6 | Low | 52 Ų | 52 | 100 Ų | 100 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -5.6 | -170.5 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | C160 K182 | C160-C180 WeakPolarHBondContact CB-SG 3.28Å; C160-C180 PolarHBondContact SG-SG 2.98Å; C180-K182 PolarHBondContact O-N 2.74Å |
| 181 | R | 64.3 | Low | 55.8 | Low | 216 Ų | 216 | 98 Ų | 98 | 82% | 0.815 | 48% | 0.48 | S | S | * | . | trans | 54.8 | -0.9 | -175.8 | -62.3 | -178.8 | -176.3 | 152.5 | 0.6 | 115.8 | C177 | C177-R181 WeakPolarHBondContact O-CA 3.43Å; C177-R181 PolarHBondContact O-N 2.7Å | ||
| 182 | K | 58.5 | Low | 56.6 | Low | 130 Ų | 130 | 96.3 Ų | 96.3 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | trans | -69.7 | 140.5 | 170.7 | -70.1 | -178.2 | -179.1 | 179.1 | 0 | 109.6 | C177 C180 S184 | C177-K182 PolarHBondContact N-O 3.01Å; C180-K182 PolarHBondContact O-N 2.74Å; K182-S184 PolarHBondContact O-N 3.14Å | ||
| 183 | V | 57.5 | Low | 57.4 | Low | 65 Ų | 65 | 96.6 Ų | 96.6 | 39% | 0.394 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 116.9 | 177 | -179.1 | 0 | 0 | 0 | 0 | 108 | L174 A175 R176 | L174-V183 HydrophobicContact CB-CG1 3.61Å; L174-V183 HydrophobicContact CD2-CG1 3.54Å; L174-V183 HydrophobicContact CG-CG1 3.41Å; L174-V183 VanDerWaalsContact CG-CG1 3.41Å; A175-V183 CarbonylContact O-C 3.59Å; A175-V183 WeakPolarHBondContact O-CA 3.21Å; R176-V183 HydrophobicContact CG-CG2 3.92Å |
| 184 | S | 54.3 | Low | 58.2 | Low | 16 Ų | 16 | 98.6 Ų | 98.6 | 11% | 0.112 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.5 | 171.2 | -61.2 | 0 | 0 | 0 | 0 | 108.5 | C157 H159 A175 K182 V186 | C157-S184 PolarHBondContact SG-OG 2.95Å; C157-S184 VanDerWaalsContact SG-OG 3.35Å; H159-S184 PolarHBondContact CD2-OG 3.38Å; A175-S184 WeakPolarHBondContact CB-O 3.47Å; A175-S184 PolarHBondContact N-O 3.01Å; A175-S184 PolarHBondContact O-N 2.9Å; K182-S184 PolarHBondContact O-N 3.14Å; S184-V186 PolarHBondContact O-N 3.24Å; S184-V186 VanDerWaalsContact O-N 3.15Å |
| 185 | S | 51.3 | Low | 59 | Low | 78 Ų | 78 | 94.5 Ų | 94.5 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | trans | -72.3 | 109.8 | 174.8 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | T173 G187 | T173-S185 WeakPolarHBondContact O-CA 3.43Å; T173-S185 WeakPolarHBondContact O-CB 3.37Å; S185-G187 PolarHBondContact O-N 3.05Å | ||
| 186 | V | 49.3 | Very low | 59.8 | Low | 31 Ų | 31 | 102.6 Ų | 102.6 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | trans | -84.7 | 96.6 | 174.5 | 176.3 | 0 | 0 | 0 | 0 | 107.1 | V155 F164 W166 A175 S184 | V155-V186 HydrophobicContact CG1-CG1 4.34Å; V155-V186 HydrophobicContact CG1-CG2 4.25Å; V155-V186 HydrophobicContact CG2-CG1 4.01Å; F164-V186 HydrophobicContact CE2-CG2 4.12Å; F164-V186 HydrophobicContact CZ-CG2 3.64Å; W166-V186 HydrophobicContact CD2-CG1 4.45Å; W166-V186 HydrophobicContact CG-CG1 4.49Å; A175-V186 HydrophobicContact CB-CB 4.26Å; A175-V186 HydrophobicContact CB-CG2 3.41Å; A175-V186 VanDerWaalsContact CB-CG2 3.41Å; S184-V186 PolarHBondContact O-N 3.24Å; S184-V186 VanDerWaalsContact O-N 3.15Å | ||
| 187 | G | 52.2 | Low | 60.8 | Low | 30 Ų | 30 | 97.9 Ų | 97.9 | 31% | 0.309 | 46% | 0.459 | S | S | . | . | trans | -172 | 94.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S185 Q189 P191 | S185-G187 PolarHBondContact O-N 3.05Å; G187-Q189 PolarHBondContact O-N 3.25Å; G187-P191 WeakPolarHBondContact O-CD 3.49Å | ||
| 188 | Q | 49.8 | Very low | 61.5 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 40% | 0.397 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -63.7 | -19.7 | -179.2 | -105.9 | -74.9 | -27 | 0 | 0 | 113.4 | P255 | Q188-P255 HydrophobicContact CG-CG 4.48Š|
| 189 | Q | 48.7 | Very low | 62.2 | Low | 171 Ų | 171 | 96.8 Ų | 96.8 | 80% | 0.799 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -105.7 | -16.4 | -174.9 | -67.8 | -176.2 | -13.4 | 0 | 0 | 115 | G187 | G187-Q189 PolarHBondContact O-N 3.25Š|
| 190 | Y | 49.3 | Very low | 63 | Low | 176 Ų | 176 | 94.8 Ų | 94.8 | 69% | 0.69 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -81.3 | -42.6 | -172.2 | -159.4 | -99.3 | 0 | 0 | 0 | 114.8 | ||
| 191 | P | 52.9 | Low | 64.1 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 24% | 0.24 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -81.9 | -27.5 | 178.9 | 30 | -30.8 | 0 | 0 | 0 | 113.4 | G187 S195 | G187-P191 WeakPolarHBondContact O-CD 3.49Å; P191-S195 WeakPolarHBondContact O-CB 3.33Å; P191-S195 PolarHBondContact O-N 3.18Å; P191-S195 VanDerWaalsContact O-N 3.09Å |
| 192 | R | 61.2 | Low | 65.2 | Low | 125 Ų | 125 | 88.8 Ų | 88.8 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | -179.9 | -109.8 | 175.1 | 175.8 | 163.1 | -3.9 | 112.3 | R194 S195 W196 | R192-R194 PolarHBondContact O-N 2.86Å; R192-S195 PolarHBondContact O-N 2.93Å; R192-W196 WeakPolarHBondContact O-CB 3.23Å; R192-W196 PolarHBondContact O-N 3.19Å |
| 193 | R | 64.6 | Low | 66.7 | Low | 209 Ų | 209 | 85.8 Ų | 85.8 | 79% | 0.789 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.1 | -39.1 | -178.7 | -166.8 | 174.3 | -176.6 | -164.3 | 0.8 | 112.6 | L197 | R193-L197 WeakPolarHBondContact O-CB 3.38Å; R193-L197 PolarHBondContact O-N 2.85Å |
| 194 | R | 70.6 | Confident | 68.4 | Low | 133 Ų | 133 | 87.3 Ų | 87.3 | 50% | 0.502 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -75.6 | -34.9 | 179.8 | -159.4 | 173.2 | -171.6 | 175.8 | 1.1 | 112.7 | R192 C198 | R192-R194 PolarHBondContact O-N 2.86Å; R194-C198 PolarHBondContact O-N 3.43Å; R194-C198 PolarHBondContact O-SG 3.21Å |
| 195 | S | 71.1 | Confident | 70 | Confident | 21 Ų | 21 | 88.6 Ų | 88.6 | 15% | 0.147 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 170.9 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | P191 R192 L197 C198 F199 | P191-S195 WeakPolarHBondContact O-CB 3.33Å; P191-S195 PolarHBondContact O-N 3.18Å; P191-S195 VanDerWaalsContact O-N 3.09Å; R192-S195 PolarHBondContact O-N 2.93Å; S195-L197 PolarHBondContact O-N 3.01Å; S195-C198 PolarHBondContact O-N 3.31Å; S195-F199 PolarHBondContact O-N 3.35Å |
| 196 | W | 74.1 | Confident | 71.8 | Confident | 173 Ų | 173 | 86.3 Ų | 86.3 | 66% | 0.655 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 178.2 | -158.3 | 68.4 | 0 | 0 | 0 | 112.1 | R192 C198 F199 L200 | R192-W196 WeakPolarHBondContact O-CB 3.23Å; R192-W196 PolarHBondContact O-N 3.19Å; W196-C198 PolarHBondContact O-N 2.84Å; W196-F199 PolarHBondContact O-N 3.23Å; W196-L200 HydrophobicContact CD2-CD1 4.18Å; W196-L200 HydrophobicContact CD2-CG 4.35Å; W196-L200 HydrophobicContact CE3-CD1 3.7Å; W196-L200 HydrophobicContact CE3-CG 4.35Å; W196-L200 HydrophobicContact CH2-CD1 3.91Å; W196-L200 HydrophobicContact CZ2-CD1 4.35Å; W196-L200 HydrophobicContact CZ2-CD2 4.41Å; W196-L200 HydrophobicContact CZ3-CD1 3.56Å; W196-L200 WeakPolarHBondContact O-CG 3.37Å; W196-L200 PolarHBondContact O-N 3.12Å |
| 197 | L | 81.9 | Confident | 73.8 | Confident | 101 Ų | 101 | 87.9 Ų | 87.9 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 173.4 | -173.3 | 67.7 | 0 | 0 | 0 | 112.8 | R193 S195 F199 L200 L201 | R193-L197 WeakPolarHBondContact O-CB 3.38Å; R193-L197 PolarHBondContact O-N 2.85Å; S195-L197 PolarHBondContact O-N 3.01Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3Å; L197-L200 PolarHBondContact O-N 2.75Å; L197-L201 PolarHBondContact O-N 3.14Å |
| 198 | C | 80.1 | Confident | 75.7 | Confident | 12 Ų | 12 | 89 Ų | 89 | 8% | 0.081 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 176.1 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | R194 S195 W196 F202 | R194-C198 PolarHBondContact O-N 3.43Å; R194-C198 PolarHBondContact O-SG 3.21Å; S195-C198 PolarHBondContact O-N 3.31Å; W196-C198 PolarHBondContact O-N 2.84Å; C198-F202 PolarHBondContact O-N 3.46Å; C198-F202 VanDerWaalsContact O-N 3.11Å |
| 199 | F | 82.1 | Confident | 77.5 | Confident | 61 Ų | 61 | 85.6 Ų | 85.6 | 27% | 0.268 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.3 | 177.3 | -107.2 | 0 | 0 | 0 | 112.2 | S195 W196 L197 L201 F202 V203 | S195-F199 PolarHBondContact O-N 3.35Å; W196-F199 PolarHBondContact O-N 3.23Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3Å; F199-L201 VanDerWaalsContact C-N 3.34Å; F199-L201 PolarHBondContact O-N 3.11Å; F199-F202 WeakPolarHBondContact O-CB 3.38Å; F199-F202 PolarHBondContact O-N 3.5Å; F199-V203 HydrophobicContact CD1-CG2 4.49Å; F199-V203 HydrophobicContact CE1-CG2 4.02Å; F199-V203 HydrophobicContact CE2-CG2 4.14Å; F199-V203 HydrophobicContact CZ-CG2 3.82Å; F199-V203 WeakPolarHBondContact O-CG2 3.28Å; F199-V203 PolarHBondContact O-N 2.82Å |
| 200 | L | 85.2 | Confident | 79.5 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 36% | 0.356 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.3 | -69.7 | -174.8 | 0 | 0 | 0 | 112.1 | W196 L197 F202 V203 V204 | W196-L200 HydrophobicContact CD2-CD1 4.18Å; W196-L200 HydrophobicContact CD2-CG 4.35Å; W196-L200 HydrophobicContact CE3-CD1 3.7Å; W196-L200 HydrophobicContact CE3-CG 4.35Å; W196-L200 HydrophobicContact CH2-CD1 3.91Å; W196-L200 HydrophobicContact CZ2-CD1 4.35Å; W196-L200 HydrophobicContact CZ2-CD2 4.41Å; W196-L200 HydrophobicContact CZ3-CD1 3.56Å; W196-L200 WeakPolarHBondContact O-CG 3.37Å; W196-L200 PolarHBondContact O-N 3.12Å; L197-L200 PolarHBondContact O-N 2.75Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 2.9Å; L200-V203 PolarHBondContact O-N 3.13Å; L200-V204 WeakPolarHBondContact O-CG2 3.45Å; L200-V204 PolarHBondContact O-N 3.36Å |
| 201 | L | 86.6 | Confident | 81.5 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 174.3 | -80.8 | 171.5 | 0 | 0 | 0 | 112.3 | L197 F199 V204 L205 | L197-L201 PolarHBondContact O-N 3.14Å; F199-L201 VanDerWaalsContact C-N 3.34Å; F199-L201 PolarHBondContact O-N 3.11Å; L201-V204 PolarHBondContact O-N 3.31Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.74Å |
| 202 | F | 88.7 | Confident | 83.2 | Confident | 47 Ų | 47 | 76.8 Ų | 76.8 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 175.3 | 171.3 | -101.5 | 0 | 0 | 0 | 112 | C198 F199 L200 V204 L205 A206 A237 L241 | C198-F202 PolarHBondContact O-N 3.46Å; C198-F202 VanDerWaalsContact O-N 3.11Å; F199-F202 WeakPolarHBondContact O-CB 3.38Å; F199-F202 PolarHBondContact O-N 3.5Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 2.9Å; F202-V204 VanDerWaalsContact C-N 3.35Å; F202-V204 PolarHBondContact O-N 3.47Å; F202-L205 PolarHBondContact O-N 2.97Å; F202-A206 HydrophobicContact CZ-CB 4.36Å; F202-A206 WeakPolarHBondContact O-CB 3.43Å; F202-A206 PolarHBondContact O-N 3.29Å; F202-A237 WeakPolarHBondContact CD2-O 3.42Å; F202-L241 HydrophobicContact CD1-CD1 4.31Å; F202-L241 HydrophobicContact CD2-CB 3.78Å; F202-L241 HydrophobicContact CD2-CD1 4.05Å; F202-L241 HydrophobicContact CE1-CD1 3.69Å; F202-L241 HydrophobicContact CE2-CB 3.61Å; F202-L241 HydrophobicContact CE2-CD1 3.4Å; F202-L241 HydrophobicContact CE2-CG 4.11Å; F202-L241 HydrophobicContact CG-CD1 4.48Å; F202-L241 HydrophobicContact CZ-CB 4.34Å; F202-L241 HydrophobicContact CZ-CD1 3.19Å; F202-L241 HydrophobicContact CZ-CG 4.35Å |
| 203 | V | 89.2 | Confident | 84.5 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 41% | 0.406 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | F199 L200 A206 A207 | F199-V203 HydrophobicContact CD1-CG2 4.49Å; F199-V203 HydrophobicContact CE1-CG2 4.02Å; F199-V203 HydrophobicContact CE2-CG2 4.14Å; F199-V203 HydrophobicContact CZ-CG2 3.82Å; F199-V203 WeakPolarHBondContact O-CG2 3.28Å; F199-V203 PolarHBondContact O-N 2.82Å; L200-V203 PolarHBondContact O-N 3.13Å; V203-A206 PolarHBondContact O-N 3.44Å; V203-A207 WeakPolarHBondContact O-CB 3.04Å; V203-A207 PolarHBondContact O-N 3.49Å |
| 204 | V | 92.3 | Very high | 85.7 | Confident | 96 Ų | 96 | 68.6 Ų | 68.6 | 58% | 0.582 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 177.9 | 173 | 0 | 0 | 0 | 0 | 111.3 | L200 L201 F202 A207 S208 | L200-V204 WeakPolarHBondContact O-CG2 3.45Å; L200-V204 PolarHBondContact O-N 3.36Å; L201-V204 PolarHBondContact O-N 3.31Å; F202-V204 VanDerWaalsContact C-N 3.35Å; F202-V204 PolarHBondContact O-N 3.47Å; V204-A207 PolarHBondContact O-N 3.09Å; V204-S208 WeakPolarHBondContact O-CB 3.26Å; V204-S208 PolarHBondContact O-N 3.49Å |
| 205 | L | 88.3 | Confident | 86.5 | Confident | 43 Ų | 43 | 65 Ų | 65 | 23% | 0.225 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.4 | -72.5 | 173.6 | 0 | 0 | 0 | 112.1 | L201 F202 S208 T209 A237 T240 | L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.74Å; F202-L205 PolarHBondContact O-N 2.97Å; L205-S208 PolarHBondContact O-N 2.96Å; L205-T209 VanDerWaalsContact O-CB 3.31Å; L205-T209 WeakPolarHBondContact O-CB 3.31Å; L205-T209 PolarHBondContact O-N 3.2Å; L205-T209 PolarHBondContact O-OG1 3.3Å; L205-A237 HydrophobicContact CB-CB 4.49Å; L205-T240 HydrophobicContact CD1-CG2 3.81Å |
| 206 | A | 89.8 | Confident | 87.4 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F202 V203 T209 T210 | F202-A206 HydrophobicContact CZ-CB 4.36Å; F202-A206 WeakPolarHBondContact O-CB 3.43Å; F202-A206 PolarHBondContact O-N 3.29Å; V203-A206 PolarHBondContact O-N 3.44Å; A206-T209 PolarHBondContact O-N 2.88Å; A206-T210 PolarHBondContact O-N 3.05Å; A206-T210 PolarHBondContact O-OG1 2.96Å |
| 207 | A | 92 | Very high | 87.7 | Confident | 64 Ų | 64 | 65.4 Ų | 65.4 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V203 V204 G211 | V203-A207 WeakPolarHBondContact O-CB 3.04Å; V203-A207 PolarHBondContact O-N 3.49Å; V204-A207 PolarHBondContact O-N 3.09Å; A207-G211 PolarHBondContact O-N 3.04Å |
| 208 | S | 90.4 | Very high | 87.7 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 176 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | V204 L205 G211 L212 | V204-S208 WeakPolarHBondContact O-CB 3.26Å; V204-S208 PolarHBondContact O-N 3.49Å; L205-S208 PolarHBondContact O-N 2.96Å; S208-G211 PolarHBondContact O-N 3.43Å; S208-L212 WeakPolarHBondContact O-CB 3.35Å; S208-L212 WeakPolarHBondContact O-CG 3.38Å; S208-L212 PolarHBondContact O-N 3.35Å |
| 209 | T | 89.6 | Confident | 87.6 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 8% | 0.08 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 177.8 | -56 | 0 | 0 | 0 | 0 | 110.4 | L205 A206 G211 L212 L213 L233 I234 | L205-T209 VanDerWaalsContact O-CB 3.31Å; L205-T209 WeakPolarHBondContact O-CB 3.31Å; L205-T209 PolarHBondContact O-N 3.2Å; L205-T209 PolarHBondContact O-OG1 3.3Å; A206-T209 PolarHBondContact O-N 2.88Å; T209-G211 PolarHBondContact O-N 3.47Å; T209-L212 PolarHBondContact O-N 2.94Å; T209-L213 HydrophobicContact CG2-CD1 3.73Å; T209-L213 WeakPolarHBondContact O-CD1 3.32Å; T209-L213 PolarHBondContact O-N 3.18Å; T209-L233 HydrophobicContact CG2-CB 4.42Å; T209-I234 HydrophobicContact CG2-CG1 3.85Å |
| 210 | T | 90.3 | Very high | 87.4 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 55% | 0.546 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 177.1 | -56 | 0 | 0 | 0 | 0 | 111.9 | A206 L212 L213 V214 | A206-T210 PolarHBondContact O-N 3.05Å; A206-T210 PolarHBondContact O-OG1 2.96Å; T210-L212 VanDerWaalsContact C-N 3.34Å; T210-L212 PolarHBondContact O-N 2.98Å; T210-L213 PolarHBondContact O-N 2.86Å; T210-V214 WeakPolarHBondContact O-CG2 3.46Å; T210-V214 PolarHBondContact O-N 3.11Å |
| 211 | G | 90.7 | Very high | 86.9 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A207 S208 T209 G215 | A207-G211 PolarHBondContact O-N 3.04Å; S208-G211 PolarHBondContact O-N 3.43Å; T209-G211 PolarHBondContact O-N 3.47Å; G211-G215 PolarHBondContact O-N 3.22Å |
| 212 | L | 89.3 | Confident | 86.5 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 34% | 0.335 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 175.7 | -76.2 | 168.5 | 0 | 0 | 0 | 112 | S208 T209 T210 V214 G215 T216 L233 | S208-L212 WeakPolarHBondContact O-CB 3.35Å; S208-L212 WeakPolarHBondContact O-CG 3.38Å; S208-L212 PolarHBondContact O-N 3.35Å; T209-L212 PolarHBondContact O-N 2.94Å; T210-L212 VanDerWaalsContact C-N 3.34Å; T210-L212 PolarHBondContact O-N 2.98Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.44Å; L212-G215 PolarHBondContact O-N 3.49Å; L212-T216 WeakPolarHBondContact O-CB 3.48Å; L212-T216 PolarHBondContact O-N 3.23Å; L212-T216 PolarHBondContact O-OG1 3.41Å; L212-L233 HydrophobicContact CD1-CD1 3.23Å |
| 213 | L | 87.5 | Confident | 86.1 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.9 | -94.9 | 74.6 | 0 | 0 | 0 | 111.4 | T209 T210 W217 W230 | T209-L213 HydrophobicContact CG2-CD1 3.73Å; T209-L213 WeakPolarHBondContact O-CD1 3.32Å; T209-L213 PolarHBondContact O-N 3.18Å; T210-L213 PolarHBondContact O-N 2.86Å; L213-W217 WeakPolarHBondContact O-CB 3.39Å; L213-W217 PolarHBondContact O-N 3Å; L213-W230 HydrophobicContact CD1-CB 4.4Å; L213-W230 HydrophobicContact CD1-CD2 4.16Å; L213-W230 HydrophobicContact CD1-CG 3.98Å; L213-W230 HydrophobicContact CG-CD2 4.19Å; L213-W230 HydrophobicContact CG-CE3 4.46Å |
| 214 | V | 90.3 | Very high | 85.8 | Confident | 110 Ų | 110 | 84.1 Ų | 84.1 | 67% | 0.667 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.7 | -47.3 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | T210 L212 T216 W217 | T210-V214 WeakPolarHBondContact O-CG2 3.46Å; T210-V214 PolarHBondContact O-N 3.11Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.44Å; V214-T216 PolarHBondContact O-N 3.47Å; V214-W217 PolarHBondContact O-N 3Å |
| 215 | G | 87 | Confident | 85.4 | Confident | 59 Ų | 59 | 82 Ų | 82 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -69.8 | -30.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G211 L212 | G211-G215 PolarHBondContact O-N 3.22Å; L212-G215 PolarHBondContact O-N 3.49Å |
| 216 | T | 89.3 | Confident | 85.3 | Confident | 31 Ų | 31 | 81.5 Ų | 81.5 | 19% | 0.19 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 9.5 | -178.6 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | L212 V214 K218 P219 A220 W230 | L212-T216 WeakPolarHBondContact O-CB 3.48Å; L212-T216 PolarHBondContact O-N 3.23Å; L212-T216 PolarHBondContact O-OG1 3.41Å; V214-T216 PolarHBondContact O-N 3.47Å; T216-K218 PolarHBondContact O-N 2.89Å; T216-P219 VanDerWaalsContact O-CD 3.24Å; T216-P219 WeakPolarHBondContact O-CD 3.48Å; T216-P219 WeakPolarHBondContact O-CG 3.49Å; T216-A220 WeakPolarHBondContact O-CB 3.43Å; T216-A220 PolarHBondContact O-N 3.05Å; T216-W230 VanDerWaalsContact OG1-CZ2 3.24Å; T216-W230 WeakPolarHBondContact OG1-CZ2 3.42Å; T216-W230 PolarHBondContact OG1-NE1 3.02Å |
| 217 | W | 81.3 | Confident | 85.1 | Confident | 170 Ų | 170 | 85.2 Ų | 85.2 | 64% | 0.644 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -44.3 | -178 | -167.4 | -92.9 | 0 | 0 | 0 | 113.9 | L213 V214 W230 | L213-W217 WeakPolarHBondContact O-CB 3.39Å; L213-W217 PolarHBondContact O-N 3Å; V214-W217 PolarHBondContact O-N 3Å; W217-W230 HydrophobicContact CE3-CH2 4.44Å |
| 218 | K | 82.6 | Confident | 84.9 | Confident | 188 Ų | 188 | 87 Ų | 87 | 82% | 0.817 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -48.3 | 177.9 | -63.7 | -160.9 | 178.4 | -175 | 0 | 113.7 | T216 A220 | T216-K218 PolarHBondContact O-N 2.89Å; K218-A220 VanDerWaalsContact C-N 3.31Å; K218-A220 PolarHBondContact O-N 3.24Å |
| 219 | P | 78.4 | Confident | 84.7 | Confident | 66 Ų | 66 | 87 Ų | 87 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -73.5 | -17.3 | 179.9 | 26.7 | -35.3 | 0 | 0 | 0 | 114.6 | T216 Q221 H222 I226 | T216-P219 VanDerWaalsContact O-CD 3.24Å; T216-P219 WeakPolarHBondContact O-CD 3.48Å; T216-P219 WeakPolarHBondContact O-CG 3.49Å; P219-Q221 PolarHBondContact O-N 2.98Å; P219-H222 PolarHBondContact O-N 3.38Å; P219-I226 HydrophobicContact CB-CD1 4.16Å; P219-I226 HydrophobicContact CG-CD1 4.45Å |
| 220 | A | 76 | Confident | 84.7 | Confident | 2 Ų | 2 | 87.9 Ų | 87.9 | 2% | 0.017 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -57.7 | -30.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T216 K218 H222 I226 Y227 W230 | T216-A220 WeakPolarHBondContact O-CB 3.43Å; T216-A220 PolarHBondContact O-N 3.05Å; K218-A220 VanDerWaalsContact C-N 3.31Å; K218-A220 PolarHBondContact O-N 3.24Å; A220-H222 PolarHBondContact O-N 3.45Å; A220-I226 HydrophobicContact CB-CB 4.5Å; A220-I226 HydrophobicContact CB-CG2 3.99Å; A220-Y227 HydrophobicContact CB-CE2 4.44Å; A220-Y227 WeakPolarHBondContact O-CE2 3.36Å; A220-W230 HydrophobicContact CB-CH2 3.64Å; A220-W230 HydrophobicContact CB-CZ2 3.84Å; A220-W230 HydrophobicContact CB-CZ3 4.46Å |
| 221 | Q | 75.1 | Confident | 84.7 | Confident | 170 Ų | 170 | 88 Ų | 88 | 79% | 0.794 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -67.7 | -20.7 | -178.7 | -64.6 | -153.4 | -15.1 | 0 | 0 | 114.1 | P219 | P219-Q221 PolarHBondContact O-N 2.98Š|
| 222 | H | 79.6 | Confident | 84.7 | Confident | 186 Ų | 186 | 90.9 Ų | 90.9 | 86% | 0.861 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -23.2 | -175.7 | -159.5 | 53.1 | 0 | 0 | 0 | 113.5 | P219 A220 | P219-H222 PolarHBondContact O-N 3.38Å; A220-H222 PolarHBondContact O-N 3.45Å |
| 223 | S | 79.6 | Confident | 84.6 | Confident | 48 Ų | 48 | 89.2 Ų | 89.2 | 34% | 0.336 | 47% | 0.474 | S | S | . | . | trans | -130.9 | 117.9 | -173.8 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | G225 I226 | S223-G225 PolarHBondContact O-N 3.46Å; S223-I226 PolarHBondContact O-N 2.94Å; S223-I226 WeakPolarHBondContact OG-CD1 3.49Å; S223-I226 VanDerWaalsContact OG-CG1 3.32Å; S223-I226 WeakPolarHBondContact OG-CG1 3.4Å | ||
| 224 | K | 82.3 | Confident | 84.7 | Confident | 185 Ų | 185 | 90.2 Ų | 90.2 | 80% | 0.804 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.2 | -22.4 | -179.7 | -66.1 | 179.7 | -179.2 | 172.7 | 0 | 113.3 | I226 Y227 | K224-I226 VanDerWaalsContact C-N 3.29Å; K224-I226 PolarHBondContact O-N 3.37Å; K224-Y227 PolarHBondContact O-N 3.32Å |
| 225 | G | 83.9 | Confident | 84.9 | Confident | 51 Ų | 51 | 89 Ų | 89 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66 | -27 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S223 Y227 V228 S229 | S223-G225 PolarHBondContact O-N 3.46Å; G225-Y227 VanDerWaalsContact C-N 3.34Å; G225-V228 PolarHBondContact O-N 2.92Å; G225-S229 PolarHBondContact O-N 2.99Å |
| 226 | I | 85.6 | Confident | 85 | Confident | 34 Ų | 34 | 90.1 Ų | 90.1 | 17% | 0.174 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 178 | -64.2 | 177 | 0 | 0 | 0 | 110.6 | P219 A220 S223 K224 V228 S229 W230 | P219-I226 HydrophobicContact CB-CD1 4.16Å; P219-I226 HydrophobicContact CG-CD1 4.45Å; A220-I226 HydrophobicContact CB-CB 4.5Å; A220-I226 HydrophobicContact CB-CG2 3.99Å; S223-I226 PolarHBondContact O-N 2.94Å; S223-I226 WeakPolarHBondContact OG-CD1 3.49Å; S223-I226 VanDerWaalsContact OG-CG1 3.32Å; S223-I226 WeakPolarHBondContact OG-CG1 3.4Å; K224-I226 VanDerWaalsContact C-N 3.29Å; K224-I226 PolarHBondContact O-N 3.37Å; I226-V228 PolarHBondContact O-N 3.37Å; I226-S229 WeakPolarHBondContact O-CB 3.44Å; I226-S229 PolarHBondContact O-N 3.4Å; I226-W230 HydrophobicContact CG2-CD2 4.49Å; I226-W230 HydrophobicContact CG2-CZ2 4Å; I226-W230 PolarHBondContact O-N 2.69Å |
| 227 | Y | 85.8 | Confident | 85 | Confident | 108 Ų | 108 | 89.2 Ų | 89.2 | 42% | 0.424 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 175 | -66.6 | -75 | 0 | 0 | 0 | 112.6 | A220 K224 G225 S229 W230 V231 | A220-Y227 HydrophobicContact CB-CE2 4.44Å; A220-Y227 WeakPolarHBondContact O-CE2 3.36Å; K224-Y227 PolarHBondContact O-N 3.32Å; G225-Y227 VanDerWaalsContact C-N 3.34Å; Y227-S229 VanDerWaalsContact C-N 3.3Å; Y227-S229 PolarHBondContact O-N 2.86Å; Y227-W230 AromaticContact CD1-CE3 3.85Å; Y227-W230 HydrophobicContact CD1-CE3 3.85Å; Y227-W230 AromaticContact CD1-CZ3 3.91Å; Y227-W230 HydrophobicContact CD1-CZ3 3.91Å; Y227-W230 HydrophobicContact CE1-CE3 4.16Å; Y227-W230 HydrophobicContact CE1-CH2 4.46Å; Y227-W230 AromaticContact CE1-CZ3 3.73Å; Y227-W230 HydrophobicContact CE1-CZ3 3.73Å; Y227-W230 PolarHBondContact O-N 3.44Å; Y227-V231 WeakPolarHBondContact O-CG2 3.42Å; Y227-V231 PolarHBondContact O-N 2.88Å |
| 228 | V | 87.8 | Confident | 85.4 | Confident | 101 Ų | 101 | 85.6 Ų | 85.6 | 61% | 0.612 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.4 | -40.3 | 176.1 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | G225 I226 V231 L232 | G225-V228 PolarHBondContact O-N 2.92Å; I226-V228 PolarHBondContact O-N 3.37Å; V228-V231 PolarHBondContact O-N 3.44Å; V228-L232 WeakPolarHBondContact O-CB 3.34Å; V228-L232 PolarHBondContact O-N 2.95Å |
| 229 | S | 87.3 | Confident | 85.7 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | G225 I226 Y227 L232 L233 | G225-S229 PolarHBondContact O-N 2.99Å; I226-S229 WeakPolarHBondContact O-CB 3.44Å; I226-S229 PolarHBondContact O-N 3.4Å; Y227-S229 VanDerWaalsContact C-N 3.3Å; Y227-S229 PolarHBondContact O-N 2.86Å; S229-L232 PolarHBondContact O-N 2.93Å; S229-L233 WeakPolarHBondContact O-CG 3.39Å; S229-L233 PolarHBondContact O-N 3.42Å |
| 230 | W | 88.4 | Confident | 86 | Confident | 30 Ų | 30 | 81.1 Ų | 81.1 | 11% | 0.114 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 175.5 | -66.6 | -3.4 | 0 | 0 | 0 | 112.1 | L213 T216 W217 A220 I226 Y227 L232 L233 I234 | L213-W230 HydrophobicContact CD1-CB 4.4Å; L213-W230 HydrophobicContact CD1-CD2 4.16Å; L213-W230 HydrophobicContact CD1-CG 3.98Å; L213-W230 HydrophobicContact CG-CD2 4.19Å; L213-W230 HydrophobicContact CG-CE3 4.46Å; T216-W230 VanDerWaalsContact OG1-CZ2 3.24Å; T216-W230 WeakPolarHBondContact OG1-CZ2 3.42Å; T216-W230 PolarHBondContact OG1-NE1 3.02Å; W217-W230 HydrophobicContact CE3-CH2 4.44Å; A220-W230 HydrophobicContact CB-CH2 3.64Å; A220-W230 HydrophobicContact CB-CZ2 3.84Å; A220-W230 HydrophobicContact CB-CZ3 4.46Å; I226-W230 HydrophobicContact CG2-CD2 4.49Å; I226-W230 HydrophobicContact CG2-CZ2 4Å; I226-W230 PolarHBondContact O-N 2.69Å; Y227-W230 AromaticContact CD1-CE3 3.85Å; Y227-W230 HydrophobicContact CD1-CE3 3.85Å; Y227-W230 AromaticContact CD1-CZ3 3.91Å; Y227-W230 HydrophobicContact CD1-CZ3 3.91Å; Y227-W230 HydrophobicContact CE1-CE3 4.16Å; Y227-W230 HydrophobicContact CE1-CH2 4.46Å; Y227-W230 AromaticContact CE1-CZ3 3.73Å; Y227-W230 HydrophobicContact CE1-CZ3 3.73Å; Y227-W230 PolarHBondContact O-N 3.44Å; W230-L232 VanDerWaalsContact C-N 3.34Å; W230-L232 PolarHBondContact O-N 3.41Å; W230-L233 PolarHBondContact O-N 2.86Å; W230-I234 WeakPolarHBondContact O-CB 3.26Å; W230-I234 WeakPolarHBondContact O-CD1 3.49Å; W230-I234 WeakPolarHBondContact O-CG1 3.34Å; W230-I234 PolarHBondContact O-N 3.32Å |
| 231 | V | 91.4 | Very high | 86.4 | Confident | 92 Ų | 92 | 83.8 Ų | 83.8 | 56% | 0.558 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61 | -44.6 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | Y227 V228 L233 I234 V235 | Y227-V231 WeakPolarHBondContact O-CG2 3.42Å; Y227-V231 PolarHBondContact O-N 2.88Å; V228-V231 PolarHBondContact O-N 3.44Å; V231-L233 PolarHBondContact O-N 3.42Å; V231-I234 PolarHBondContact O-N 3.47Å; V231-V235 HydrophobicContact CG1-CG2 4.4Å; V231-V235 WeakPolarHBondContact O-CB 3.18Å; V231-V235 VanDerWaalsContact O-CG2 3.26Å; V231-V235 WeakPolarHBondContact O-CG2 3.39Å; V231-V235 PolarHBondContact O-N 3Å |
| 232 | L | 89.8 | Confident | 86.9 | Confident | 107 Ų | 107 | 81.2 Ų | 81.2 | 56% | 0.56 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.6 | -44.9 | 178.4 | -174.9 | 68.5 | 0 | 0 | 0 | 112 | V228 S229 W230 V235 L236 | V228-L232 WeakPolarHBondContact O-CB 3.34Å; V228-L232 PolarHBondContact O-N 2.95Å; S229-L232 PolarHBondContact O-N 2.93Å; W230-L232 VanDerWaalsContact C-N 3.34Å; W230-L232 PolarHBondContact O-N 3.41Å; L232-V235 PolarHBondContact O-N 3.32Å; L232-L236 HydrophobicContact CG-CD1 4.24Å; L232-L236 WeakPolarHBondContact O-CG 3.33Å; L232-L236 PolarHBondContact O-N 2.96Å |
| 233 | L | 88.1 | Confident | 87.1 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 15% | 0.152 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 179.2 | -72.7 | 172.6 | 0 | 0 | 0 | 112.6 | T209 L212 S229 W230 V231 L236 A237 | T209-L233 HydrophobicContact CG2-CB 4.42Å; L212-L233 HydrophobicContact CD1-CD1 3.23Å; S229-L233 WeakPolarHBondContact O-CG 3.39Å; S229-L233 PolarHBondContact O-N 3.42Å; W230-L233 PolarHBondContact O-N 2.86Å; V231-L233 PolarHBondContact O-N 3.42Å; L233-L236 PolarHBondContact O-N 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 3.02Å |
| 234 | I | 89.8 | Confident | 87 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 174.9 | -69.4 | 165.2 | 0 | 0 | 0 | 110.4 | T209 W230 V231 A237 L238 | T209-I234 HydrophobicContact CG2-CG1 3.85Å; W230-I234 WeakPolarHBondContact O-CB 3.26Å; W230-I234 WeakPolarHBondContact O-CD1 3.49Å; W230-I234 WeakPolarHBondContact O-CG1 3.34Å; W230-I234 PolarHBondContact O-N 3.32Å; V231-I234 PolarHBondContact O-N 3.47Å; I234-A237 PolarHBondContact O-N 3.48Å; I234-L238 HydrophobicContact CG2-CD1 4.03Å; I234-L238 HydrophobicContact CG2-CG 4.46Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 WeakPolarHBondContact O-CG 3.34Å; I234-L238 PolarHBondContact O-N 3.03Å |
| 235 | V | 93 | Very high | 86.8 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | V231 L232 L238 F239 | V231-V235 HydrophobicContact CG1-CG2 4.4Å; V231-V235 WeakPolarHBondContact O-CB 3.18Å; V231-V235 VanDerWaalsContact O-CG2 3.26Å; V231-V235 WeakPolarHBondContact O-CG2 3.39Å; V231-V235 PolarHBondContact O-N 3Å; L232-V235 PolarHBondContact O-N 3.32Å; V235-L238 PolarHBondContact O-N 3.44Å; V235-F239 WeakPolarHBondContact O-CB 3.36Å; V235-F239 PolarHBondContact O-N 3.43Å |
| 236 | L | 89.9 | Confident | 86.5 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 175.4 | -73.2 | 168.5 | 0 | 0 | 0 | 112.2 | L232 L233 F239 T240 | L232-L236 HydrophobicContact CG-CD1 4.24Å; L232-L236 WeakPolarHBondContact O-CG 3.33Å; L232-L236 PolarHBondContact O-N 2.96Å; L233-L236 PolarHBondContact O-N 3.26Å; L236-F239 PolarHBondContact O-N 3.03Å; L236-T240 WeakPolarHBondContact O-CG2 3.39Å; L236-T240 PolarHBondContact O-N 2.92Å; L236-T240 PolarHBondContact O-OG1 3.44Å |
| 237 | A | 89.6 | Confident | 85.7 | Confident | 12 Ų | 12 | 78.4 Ų | 78.4 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F202 L205 L233 I234 T240 L241 | F202-A237 WeakPolarHBondContact CD2-O 3.42Å; L205-A237 HydrophobicContact CB-CB 4.49Å; L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 3.02Å; I234-A237 PolarHBondContact O-N 3.48Å; A237-T240 WeakPolarHBondContact CA-OG1 3.42Å; A237-T240 PolarHBondContact O-N 3.37Å; A237-T240 PolarHBondContact O-OG1 3.01Å; A237-L241 VanDerWaalsContact O-CB 3.31Å; A237-L241 WeakPolarHBondContact O-CB 3.32Å; A237-L241 PolarHBondContact O-N 3.32Å |
| 238 | L | 89.8 | Confident | 84.7 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 176 | -73.6 | 170.7 | 0 | 0 | 0 | 112.2 | I234 V235 T240 L241 I242 | I234-L238 HydrophobicContact CG2-CD1 4.03Å; I234-L238 HydrophobicContact CG2-CG 4.46Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 WeakPolarHBondContact O-CG 3.34Å; I234-L238 PolarHBondContact O-N 3.03Å; V235-L238 PolarHBondContact O-N 3.44Å; L238-T240 PolarHBondContact O-N 3.27Å; L238-L241 WeakPolarHBondContact O-CB 3.07Å; L238-L241 PolarHBondContact O-N 3.18Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.24Å; L238-I242 PolarHBondContact O-N 3.43Å |
| 239 | F | 89 | Confident | 83.3 | Confident | 131 Ų | 131 | 80.4 Ų | 80.4 | 58% | 0.575 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 177 | -180 | -101.4 | 0 | 0 | 0 | 112 | V235 L236 I242 R243 | V235-F239 WeakPolarHBondContact O-CB 3.36Å; V235-F239 PolarHBondContact O-N 3.43Å; L236-F239 PolarHBondContact O-N 3.03Å; F239-I242 PolarHBondContact O-N 3.4Å; F239-R243 WeakPolarHBondContact O-CB 3.36Å; F239-R243 PolarHBondContact O-N 3.45Å; F239-R243 VanDerWaalsContact O-N 3.11Å |
| 240 | T | 85.1 | Confident | 82 | Confident | 30 Ų | 30 | 83.6 Ų | 83.6 | 18% | 0.184 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.4 | -34.1 | 176.9 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | L205 L236 A237 L238 A244 | L205-T240 HydrophobicContact CD1-CG2 3.81Å; L236-T240 WeakPolarHBondContact O-CG2 3.39Å; L236-T240 PolarHBondContact O-N 2.92Å; L236-T240 PolarHBondContact O-OG1 3.44Å; A237-T240 WeakPolarHBondContact CA-OG1 3.42Å; A237-T240 PolarHBondContact O-N 3.37Å; A237-T240 PolarHBondContact O-OG1 3.01Å; L238-T240 PolarHBondContact O-N 3.27Å; T240-A244 VanDerWaalsContact O-CB 3.26Å; T240-A244 WeakPolarHBondContact O-CB 3.12Å; T240-A244 PolarHBondContact O-N 2.9Å |
| 241 | L | 83.8 | Confident | 79.8 | Confident | 58 Ų | 58 | 91.6 Ų | 91.6 | 30% | 0.304 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.4 | -52.3 | 171.3 | -175.7 | 99.7 | 0 | 0 | 0 | 111.4 | F202 A237 L238 R243 A244 M245 | F202-L241 HydrophobicContact CD1-CD1 4.31Å; F202-L241 HydrophobicContact CD2-CB 3.78Å; F202-L241 HydrophobicContact CD2-CD1 4.05Å; F202-L241 HydrophobicContact CE1-CD1 3.69Å; F202-L241 HydrophobicContact CE2-CB 3.61Å; F202-L241 HydrophobicContact CE2-CD1 3.4Å; F202-L241 HydrophobicContact CE2-CG 4.11Å; F202-L241 HydrophobicContact CG-CD1 4.48Å; F202-L241 HydrophobicContact CZ-CB 4.34Å; F202-L241 HydrophobicContact CZ-CD1 3.19Å; F202-L241 HydrophobicContact CZ-CG 4.35Å; A237-L241 VanDerWaalsContact O-CB 3.31Å; A237-L241 WeakPolarHBondContact O-CB 3.32Å; A237-L241 PolarHBondContact O-N 3.32Å; L238-L241 WeakPolarHBondContact O-CB 3.07Å; L238-L241 PolarHBondContact O-N 3.18Å; L241-R243 PolarHBondContact O-N 3.24Å; L241-A244 CarbonylContact O-C 3.53Å; L241-A244 PolarHBondContact O-N 3.34Å; L241-A244 VanDerWaalsContact O-N 3.13Å; L241-M245 HydrophobicContact CG-CG 4.34Å; L241-M245 WeakPolarHBondContact O-CB 3.35Å; L241-M245 WeakPolarHBondContact O-CG 3.35Å; L241-M245 PolarHBondContact O-N 2.88Å |
| 242 | I | 85.4 | Confident | 78 | Confident | 116 Ų | 116 | 90.5 Ų | 90.5 | 60% | 0.595 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.1 | -44.4 | -179.8 | -69.9 | 163.7 | 0 | 0 | 0 | 109.9 | L238 F239 M245 Y246 | L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.24Å; L238-I242 PolarHBondContact O-N 3.43Å; F239-I242 PolarHBondContact O-N 3.4Å; I242-M245 PolarHBondContact O-N 2.89Å; I242-Y246 WeakPolarHBondContact O-CB 3.39Å; I242-Y246 PolarHBondContact O-N 3.39Å |
| 243 | R | 83.4 | Confident | 75.7 | Confident | 107 Ų | 107 | 87.8 Ų | 87.8 | 40% | 0.404 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -50 | 176.1 | -174 | 170.7 | 150.9 | 149.9 | -8.9 | 110.9 | F239 L241 M245 Y246 W247 | F239-R243 WeakPolarHBondContact O-CB 3.36Å; F239-R243 PolarHBondContact O-N 3.45Å; F239-R243 VanDerWaalsContact O-N 3.11Å; L241-R243 PolarHBondContact O-N 3.24Å; R243-M245 VanDerWaalsContact C-N 3.3Å; R243-M245 PolarHBondContact O-N 2.89Å; R243-Y246 WeakPolarHBondContact O-CB 3.49Å; R243-Y246 PolarHBondContact O-N 3.32Å; R243-Y246 VanDerWaalsContact O-N 3.12Å; R243-W247 PolarHBondContact O-N 3.19Å |
| 244 | A | 78.6 | Confident | 73.7 | Confident | 6 Ų | 6 | 91.7 Ų | 91.7 | 5% | 0.05 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T240 L241 W247 R248 | T240-A244 VanDerWaalsContact O-CB 3.26Å; T240-A244 WeakPolarHBondContact O-CB 3.12Å; T240-A244 PolarHBondContact O-N 2.9Å; L241-A244 CarbonylContact O-C 3.53Å; L241-A244 PolarHBondContact O-N 3.34Å; L241-A244 VanDerWaalsContact O-N 3.13Å; A244-W247 PolarHBondContact O-N 3.23Å; A244-R248 WeakPolarHBondContact O-CB 3.24Å; A244-R248 WeakPolarHBondContact O-CG 3.17Å; A244-R248 PolarHBondContact O-N 2.92Å |
| 245 | M | 76.8 | Confident | 71.6 | Confident | 102 Ų | 102 | 91.5 Ų | 91.5 | 50% | 0.502 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 173.2 | -75.2 | -149.1 | 71.7 | 0 | 0 | 111.5 | L241 I242 R243 W247 R248 C249 | L241-M245 HydrophobicContact CG-CG 4.34Å; L241-M245 WeakPolarHBondContact O-CB 3.35Å; L241-M245 WeakPolarHBondContact O-CG 3.35Å; L241-M245 PolarHBondContact O-N 2.88Å; I242-M245 PolarHBondContact O-N 2.89Å; R243-M245 VanDerWaalsContact C-N 3.3Å; R243-M245 PolarHBondContact O-N 2.89Å; M245-W247 VanDerWaalsContact C-N 3.29Å; M245-W247 PolarHBondContact O-N 3.43Å; M245-R248 PolarHBondContact O-N 2.57Å; M245-R248 VanDerWaalsContact O-N 3.14Å; M245-C249 VanDerWaalsContact O-CB 3.23Å; M245-C249 WeakPolarHBondContact O-CB 3.42Å; M245-C249 PolarHBondContact O-N 3.5Å; M245-C249 PolarHBondContact O-SG 2.86Å |
| 246 | Y | 78.8 | Confident | 69.4 | Low | 153 Ų | 153 | 94 Ų | 94 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.3 | -43.9 | 173.4 | 176.8 | -93.9 | 0 | 0 | 0 | 111.8 | I242 R243 F250 | I242-Y246 WeakPolarHBondContact O-CB 3.39Å; I242-Y246 PolarHBondContact O-N 3.39Å; R243-Y246 WeakPolarHBondContact O-CB 3.49Å; R243-Y246 PolarHBondContact O-N 3.32Å; R243-Y246 VanDerWaalsContact O-N 3.12Å; Y246-F250 PolarHBondContact O-N 3.2Å |
| 247 | W | 69.5 | Low | 67.4 | Low | 76 Ų | 76 | 94.6 Ų | 94.6 | 29% | 0.288 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.4 | -29.1 | 176.5 | -67.1 | 99.4 | 0 | 0 | 0 | 113.7 | R243 A244 M245 F250 | R243-W247 PolarHBondContact O-N 3.19Å; A244-W247 PolarHBondContact O-N 3.23Å; M245-W247 VanDerWaalsContact C-N 3.29Å; M245-W247 PolarHBondContact O-N 3.43Å; W247-F250 WeakPolarHBondContact O-CB 3.07Å |
| 248 | R | 63.3 | Low | 65.1 | Low | 157 Ų | 157 | 101 Ų | 101 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.9 | -37.2 | 174.9 | -80.9 | -160.6 | 178.7 | -161.5 | 0.4 | 113.3 | A244 M245 F250 | A244-R248 WeakPolarHBondContact O-CB 3.24Å; A244-R248 WeakPolarHBondContact O-CG 3.17Å; A244-R248 PolarHBondContact O-N 2.92Å; M245-R248 PolarHBondContact O-N 2.57Å; M245-R248 VanDerWaalsContact O-N 3.14Å; R248-F250 PolarHBondContact O-N 3.32Å |
| 249 | C | 59.3 | Low | 62.9 | Low | 94 Ų | 94 | 103.7 Ų | 103.7 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72.3 | -16.6 | 174.6 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | M245 K251 | M245-C249 VanDerWaalsContact O-CB 3.23Å; M245-C249 WeakPolarHBondContact O-CB 3.42Å; M245-C249 PolarHBondContact O-N 3.5Å; M245-C249 PolarHBondContact O-SG 2.86Å; C249-K251 VanDerWaalsContact C-N 3.25Å; C249-K251 PolarHBondContact O-N 3.24Å |
| 250 | F | 58.8 | Low | 60.3 | Low | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -68.1 | 88.6 | 166 | -152.5 | -94.8 | 0 | 0 | 0 | 109.2 | Y246 W247 R248 I252 | Y246-F250 PolarHBondContact O-N 3.2Å; W247-F250 WeakPolarHBondContact O-CB 3.07Å; R248-F250 PolarHBondContact O-N 3.32Å; F250-I252 PolarHBondContact O-N 3.45Å |
| 251 | K | 43.2 | Very low | 59.1 | Low | 199 Ų | 199 | 110.9 Ų | 110.9 | 87% | 0.865 | 56% | 0.563 | S | S | * | * | trans | -58.1 | 114.5 | -177.3 | -153.8 | 165.8 | -176.7 | 163.7 | 0 | 109.7 | C249 | C249-K251 VanDerWaalsContact C-N 3.25Å; C249-K251 PolarHBondContact O-N 3.24Å | ||
| 252 | I | 53.5 | Low | 57.8 | Low | 69 Ų | 69 | 113.7 Ų | 113.7 | 35% | 0.354 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -98.4 | 124.1 | 176.9 | -70.7 | 158.6 | 0 | 0 | 0 | 107.7 | F250 | F250-I252 PolarHBondContact O-N 3.45Š|
| 253 | S | 41.8 | Very low | 56.3 | Low | 49 Ų | 49 | 113.6 Ų | 113.6 | 34% | 0.343 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -77 | 131 | 175.5 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 254 | D | 45.8 | Very low | 54.7 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 59% | 0.594 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 137.6 | 179.4 | -67.2 | -52.6 | 0 | 0 | 0 | 112.1 | ||
| 255 | P | 45.5 | Very low | 53.2 | Low | 69 Ų | 69 | 120.7 Ų | 120.7 | 45% | 0.448 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -79 | 126.8 | 170.7 | 30.6 | -28.6 | 0 | 0 | 0 | 109.5 | Q188 S257 | Q188-P255 HydrophobicContact CG-CG 4.48Å; P255-S257 PolarHBondContact O-N 3.45Å |
| 256 | I | 46.7 | Very low | 51.6 | Low | 136 Ų | 136 | 121.9 Ų | 121.9 | 70% | 0.697 | 63% | 0.627 | S | S | * | * | trans | -71.3 | 95.5 | 167.6 | -58 | 165.7 | 0 | 0 | 0 | 106.6 | I156 N258 | I156-I256 HydrophobicContact CD1-CD1 4.39Å; I256-N258 PolarHBondContact O-N 3.19Å; I256-N258 VanDerWaalsContact O-N 3.09Å | ||
| 257 | S | 48.2 | Very low | 49.7 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | trans | -72.7 | 92.9 | 165.6 | 50.4 | 0 | 0 | 0 | 0 | 108 | P255 I259 | P255-S257 PolarHBondContact O-N 3.45Å; S257-I259 VanDerWaalsContact C-N 3.3Å; S257-I259 PolarHBondContact O-N 2.86Å; S257-I259 VanDerWaalsContact O-N 3.09Å | ||
| 258 | N | 40.3 | Very low | 48.2 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | trans | -73.2 | 96 | 159 | -101.1 | -35.5 | 0 | 0 | 0 | 106.9 | I256 | I256-N258 PolarHBondContact O-N 3.19Å; I256-N258 VanDerWaalsContact O-N 3.09Å | ||
| 259 | I | 44.5 | Very low | 46.9 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | trans | -78.1 | 113.7 | 164.8 | -61.8 | 166.9 | 0 | 0 | 0 | 105.4 | S257 | S257-I259 VanDerWaalsContact C-N 3.3Å; S257-I259 PolarHBondContact O-N 2.86Å; S257-I259 VanDerWaalsContact O-N 3.09Å | ||
| 260 | T | 35.2 | Very low | 45.8 | Very low | 201 Ų | 201 | 122.6 Ų | 122.6 | 100% | 1.233 | 66% | 0.663 | S | S | * | * | trans | -142.6 | 0 | 157.6 | -51.2 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 260 of 260 residues in 229 ms
(Link to these results)