| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.2 | Very low | 36.4 | Very low | 242 Ų | 242 | 143.5 Ų | 143.5 | 100% | 1.192 | 88% | 0.875 | S | S | * | * | 0 | 98.4 | 0 | -67.9 | 148.8 | 168.5 | 0 | 0 | 105.9 | |||||
| 2 | K | 34.7 | Very low | 36.3 | Very low | 215 Ų | 215 | 141.8 Ų | 141.8 | 94% | 0.935 | 87% | 0.872 | S | S | * | * | 40.2 | 136 | 99.1 | -94 | -178.3 | 173.7 | 176 | 0 | 113.1 | |||||
| 3 | A | 39.2 | Very low | 36.4 | Very low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 87% | 0.873 | S | S | * | * | cis | 179.2 | 159.3 | -14.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 4 | G | 33.6 | Very low | 36.4 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 84% | 0.835 | 87% | 0.869 | S | S | * | * | trans | 167.1 | 97.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 5 | A | 38.4 | Very low | 36.6 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 78% | 0.777 | 87% | 0.873 | S | S | * | * | trans | -64.9 | 143.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 6 | S | 39.2 | Very low | 36.7 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 88% | 0.876 | S | S | * | * | 70.9 | 123.2 | 74 | -52.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 7 | S | 37.3 | Very low | 36.8 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 87% | 0.87 | S | S | * | * | -170.9 | 115.8 | 128.1 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 8 | V | 35.5 | Very low | 36.7 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 84% | 0.836 | 87% | 0.872 | S | S | * | * | trans | -121.5 | 128.7 | 164.6 | 170.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 9 | W | 34.7 | Very low | 36.7 | Very low | 262 Ų | 262 | 142.8 Ų | 142.8 | 99% | 0.992 | 86% | 0.861 | S | S | * | * | trans | -98.5 | 113.8 | 173.4 | -82.9 | -24.3 | 0 | 0 | 0 | 110.3 | ||||
| 10 | A | 35.6 | Very low | 36.7 | Very low | 89 Ų | 89 | 144.9 Ų | 144.9 | 74% | 0.736 | 86% | 0.863 | S | S | * | * | trans | -119.2 | 126.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 11 | S | 36.3 | Very low | 36.6 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 85% | 0.853 | S | S | * | * | trans | -99.9 | 114.2 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 12 | C | 34.4 | Very low | 36.6 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | trans | -118.3 | 114.2 | 168.3 | -65.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | C | 38.6 | Very low | 36.4 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 89% | 0.892 | 84% | 0.836 | S | S | * | * | trans | -111.7 | 98.6 | 164.7 | -84.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 14 | G | 35.7 | Very low | 36 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | -105.3 | 114.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 15 | L | 39.5 | Very low | 36.1 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 93% | 0.927 | 83% | 0.834 | S | S | * | * | trans | -102.7 | 112.4 | 164.2 | -86 | 162.8 | 0 | 0 | 0 | 107.2 | ||||
| 16 | L | 38.4 | Very low | 35.8 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 92% | 0.916 | 84% | 0.842 | S | S | * | * | trans | -105 | 137.6 | 161.2 | -82.4 | 171.1 | 0 | 0 | 0 | 108.8 | ||||
| 17 | N | 38.4 | Very low | 35.4 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 84% | 0.836 | S | S | * | * | trans | -90.2 | 130.5 | 173.2 | -163.8 | 38.5 | 0 | 0 | 0 | 107.7 | ||||
| 18 | E | 35 | Very low | 35.2 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 84% | 0.841 | S | S | * | * | trans | -148 | 154.6 | 159.1 | -88.3 | -148.2 | 141.2 | 0 | 0 | 112.3 | ||||
| 19 | V | 36 | Very low | 35.2 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 67% | 0.667 | 84% | 0.838 | S | S | * | * | trans | -107.7 | 159.3 | -155.5 | 162.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 20 | M | 38.2 | Very low | 36 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | 81.2 | 115.5 | 156.5 | -95.1 | -178.3 | -75.8 | 0 | 0 | 120.7 | ||||
| 21 | G | 33.2 | Very low | 35.8 | Very low | 62 Ų | 62 | 135.1 Ų | 135.1 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | 128.1 | 130.5 | 109 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 22 | T | 35.8 | Very low | 35.8 | Very low | 157 Ų | 157 | 140 Ų | 140 | 96% | 0.963 | 84% | 0.835 | S | S | * | * | trans | 86.6 | 129.8 | 157.1 | 76.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 23 | G | 30.6 | Very low | 35.7 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | 146.3 | 99.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 24 | A | 31.6 | Very low | 35.7 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | trans | -69.9 | 161.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 25 | V | 35.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | 180 | 108.4 | 114.7 | 170.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 26 | R | 31.6 | Very low | 35.4 | Very low | 249 Ų | 249 | 133.3 Ų | 133.3 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | trans | 21.4 | 133.8 | 134.8 | -150.2 | 171.6 | -176.3 | 149.9 | -0.7 | 122.9 | ||||
| 27 | G | 31 | Very low | 35.3 | Very low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | 112.4 | 126.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 28 | Q | 33.7 | Very low | 35.7 | Very low | 193 Ų | 193 | 126.9 Ų | 126.9 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | cis | -164 | 141.7 | 24.7 | -177.7 | 83.8 | 19.4 | 0 | 0 | 107.8 | ||||
| 29 | Q | 34.7 | Very low | 36 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | trans | -84.5 | -174.6 | 170.5 | -87.1 | -95.2 | -40 | 0 | 0 | 111.3 | ||||
| 30 | P | 51.7 | Low | 36.2 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 83% | 0.833 | S | S | * | * | -122 | 174.7 | -72.9 | 35.7 | -17.3 | 0 | 0 | 0 | 111.4 | |||||
| 31 | G | 32.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -153.3 | 113.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 32 | F | 35.2 | Very low | 36.6 | Very low | 220 Ų | 220 | 136.4 Ų | 136.4 | 97% | 0.965 | 84% | 0.839 | S | S | * | * | trans | -57.6 | 157.7 | 171.9 | -84.9 | -109.4 | 0 | 0 | 0 | 113.8 | ||||
| 33 | G | 32.7 | Very low | 37 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | 147.5 | 108.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 34 | A | 39.3 | Very low | 37.6 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -69.1 | 153.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 35 | G | 32.8 | Very low | 38.1 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | 152 | 95.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 36 | A | 35.6 | Very low | 38.1 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | trans | 30.1 | 114.4 | 138 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 37 | G | 35.5 | Very low | 38.5 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | 67.4 | 169.6 | 133.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 38 | P | 48 | Very low | 38.9 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | cis | -143.4 | 103.6 | 8.6 | 36.9 | -13.5 | 0 | 0 | 0 | 114.3 | ||||
| 39 | F | 40.3 | Very low | 39.3 | Very low | 206 Ų | 206 | 129 Ų | 129 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -142.5 | 103.4 | 151.5 | -79.4 | -73.3 | 0 | 0 | 0 | 109.2 | ||||
| 40 | R | 40.3 | Very low | 39.5 | Very low | 246 Ų | 246 | 127.8 Ų | 127.8 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 121.1 | 170.6 | -70.3 | -171.1 | 178.7 | -112.9 | 3.7 | 108.3 | ||||
| 41 | F | 43.5 | Very low | 39.3 | Very low | 204 Ų | 204 | 127.8 Ų | 127.8 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -109.3 | 135.7 | 145.6 | -81 | -83.9 | 0 | 0 | 0 | 107.8 | ||||
| 42 | A | 37.4 | Very low | 39.6 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -70.7 | 167.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 43 | P | 43.8 | Very low | 40 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -97.1 | 129.7 | -149.4 | 36.2 | -31.1 | 0 | 0 | 0 | 113.6 | ||||
| 44 | S | 42.8 | Very low | 40.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -158.8 | 83.7 | 162.8 | 58.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 45 | A | 41.1 | Very low | 40.9 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | 163.5 | 99.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | Y47 | A45-Y47 VanDerWaalsContact C-N 3.32Å; A45-Y47 PolarHBondContact O-N 2.8Å | ||
| 46 | G | 36.1 | Very low | 41.4 | Very low | 85 Ų | 85 | 126 Ų | 126 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | trans | -61.4 | 99.7 | 166 | 0 | 0 | 0 | 0 | 0 | 108.1 | S48 | G46-S48 PolarHBondContact O-N 2.94Š| ||
| 47 | Y | 41 | Very low | 42.2 | Very low | 201 Ų | 201 | 126.5 Ų | 126.5 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -71.2 | 92.5 | 160.2 | 61.7 | -84 | 0 | 0 | 0 | 105.6 | A45 T49 | A45-Y47 VanDerWaalsContact C-N 3.32Å; A45-Y47 PolarHBondContact O-N 2.8Å; Y47-T49 HydrophobicContact CD2-CG2 4.06Å; Y47-T49 HydrophobicContact CE2-CG2 4.29Å; Y47-T49 PolarHBondContact O-N 3.05Å; Y47-T49 VanDerWaalsContact O-N 3.15Å | ||
| 48 | S | 39.5 | Very low | 43.3 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 58% | 0.58 | 76% | 0.757 | S | S | * | * | trans | -62.5 | 112.8 | 164.3 | -175.3 | 0 | 0 | 0 | 0 | 107 | G46 H50 | G46-S48 PolarHBondContact O-N 2.94Å; S48-H50 PolarHBondContact O-N 3.44Å; S48-H50 VanDerWaalsContact O-N 3.15Å; S48-H50 PolarHBondContact OG-N 2.74Å | ||
| 49 | T | 40.7 | Very low | 43.9 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | trans | -73.9 | 17.3 | 168.2 | 39.9 | 0 | 0 | 0 | 0 | 112.5 | Y47 | Y47-T49 HydrophobicContact CD2-CG2 4.06Å; Y47-T49 HydrophobicContact CE2-CG2 4.29Å; Y47-T49 PolarHBondContact O-N 3.05Å; Y47-T49 VanDerWaalsContact O-N 3.15Å | ||
| 50 | H | 40.2 | Very low | 45.9 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -89.4 | 132.9 | 167.1 | -65.9 | -75.2 | 0 | 0 | 0 | 109 | S48 | S48-H50 PolarHBondContact O-N 3.44Å; S48-H50 VanDerWaalsContact O-N 3.15Å; S48-H50 PolarHBondContact OG-N 2.74Å |
| 51 | P | 46.1 | Very low | 48.4 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 138.9 | 167.3 | 24.6 | -31.6 | 0 | 0 | 0 | 107.9 | N53 | P51-N53 PolarHBondContact O-N 2.77Š|
| 52 | P | 40.1 | Very low | 50.8 | Low | 113 Ų | 113 | 101.9 Ų | 101.9 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 117.6 | 178.2 | 23.8 | -30.5 | 0 | 0 | 0 | 106.9 | S54 | P52-S54 PolarHBondContact O-N 2.87Š|
| 53 | N | 42.5 | Very low | 53.4 | Low | 150 Ų | 150 | 103 Ų | 103 | 80% | 0.802 | 64% | 0.64 | S | S | * | * | trans | -66.8 | 84.5 | 167.4 | -162.5 | 48.7 | 0 | 0 | 0 | 105.4 | P51 S55 | P51-N53 PolarHBondContact O-N 2.77Å; N53-S55 PolarHBondContact O-N 2.89Å | ||
| 54 | S | 43.5 | Very low | 55.7 | Low | 97 Ų | 97 | 99.8 Ų | 99.8 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | trans | -65.3 | 91.9 | 170.5 | -70.3 | 0 | 0 | 0 | 0 | 106.3 | P52 G56 | P52-S54 PolarHBondContact O-N 2.87Å; S54-G56 PolarHBondContact O-N 3.48Å | ||
| 55 | S | 47.4 | Very low | 58 | Low | 115 Ų | 115 | 96.7 Ų | 96.7 | 80% | 0.804 | 60% | 0.602 | S | S | * | * | trans | -62.9 | 55.6 | 146.3 | -49.5 | 0 | 0 | 0 | 0 | 108.2 | N53 | N53-S55 PolarHBondContact O-N 2.89Š| ||
| 56 | G | 44.5 | Very low | 60.4 | Low | 50 Ų | 50 | 94.9 Ų | 94.9 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | trans | -88.3 | 120.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S54 P58 | S54-G56 PolarHBondContact O-N 3.48Å; G56-P58 WeakPolarHBondContact O-CD 3.15Å; G56-P58 VanDerWaalsContact O-N 3.15Å | ||
| 57 | N | 52.9 | Low | 63.1 | Low | 117 Ų | 117 | 96 Ų | 96 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | trans | -54.5 | 118.2 | 174 | -159.9 | -9.2 | 0 | 0 | 0 | 108.9 | G59 L60 | N57-G59 PolarHBondContact O-N 2.97Å; N57-L60 HydrophobicContact CB-CD1 4.22Å; N57-L60 PolarHBondContact O-N 3.4Å | ||
| 58 | P | 57.1 | Low | 65.5 | Low | 117 Ų | 117 | 89.2 Ų | 89.2 | 76% | 0.76 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -6.2 | -169.7 | 19.4 | -30.6 | 0 | 0 | 0 | 115 | G56 | G56-P58 WeakPolarHBondContact O-CD 3.15Å; G56-P58 VanDerWaalsContact O-N 3.15Å |
| 59 | G | 60.7 | Low | 68.1 | Low | 35 Ų | 35 | 87 Ų | 87 | 36% | 0.361 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -0.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | N57 K75 | N57-G59 PolarHBondContact O-N 2.97Å; G59-K75 PolarHBondContact O-NZ 2.86Å |
| 60 | L | 83.5 | Confident | 70.3 | Confident | 111 Ų | 111 | 84.2 Ų | 84.2 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -110.6 | 5.7 | -170.6 | -65.3 | 172.6 | 0 | 0 | 0 | 115.4 | N57 F69 | N57-L60 HydrophobicContact CB-CD1 4.22Å; N57-L60 PolarHBondContact O-N 3.4Å; L60-F69 WeakPolarHBondContact O-CD2 3.12Å; L60-F69 PolarHBondContact O-N 3.32Å |
| 61 | V | 92.6 | Very high | 72.3 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | B | Isolated β-bridge | trans | -122.2 | 151.8 | 178.4 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | R63 Q67 A68 F69 | V61-R63 PolarHBondContact O-N 3.48Å; V61-Q67 WeakPolarHBondContact CA-O 3.5Å; V61-A68 HydrophobicContact CG1-CB 4.35Å; V61-F69 VanDerWaalsContact O-CE2 3.26Å; V61-F69 WeakPolarHBondContact O-CE2 3.35Å |
| 62 | C | 93.1 | Very high | 74.2 | Confident | 1 Ų | 1 | 87.8 Ų | 87.8 | 1% | 0.007 | 54% | 0.538 | C | S | . | . | trans | -64.8 | 124.5 | 171.8 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | A64 C65 G66 Q67 F69 C86 | C62-A64 PolarHBondContact O-N 3.39Å; C62-C65 WeakPolarHBondContact CB-SG 3.42Å; C62-C65 PolarHBondContact SG-SG 3.29Å; C62-G66 VanDerWaalsContact O-CA 3.24Å; C62-G66 WeakPolarHBondContact O-CA 3.15Å; C62-G66 PolarHBondContact O-N 3.36Å; C62-Q67 PolarHBondContact N-O 3.24Å; C62-F69 HydrophobicContact CB-CE1 4.07Å; C62-F69 HydrophobicContact CB-CZ 4.1Å; C62-C86 HydrophobicContact CB-CB 4.36Å; C62-C86 PolarHBondContact SG-N 3.38Å; C62-C86 VanDerWaalsContact SG-N 3.36Å | ||
| 63 | R | 92.5 | Very high | 76.3 | Confident | 118 Ų | 118 | 86.1 Ų | 86.1 | 45% | 0.445 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21.3 | -176.4 | -171.3 | 56.8 | 174.5 | 152.9 | -1.5 | 114 | V61 K83 S84 F85 L129 | V61-R63 PolarHBondContact O-N 3.48Å; R63-K83 HydrophobicContact CB-CB 4.32Å; R63-K83 HydrophobicContact CG-CB 4.35Å; R63-S84 PolarHBondContact N-O 3.48Å; R63-F85 HydrophobicContact CB-CD1 4.29Å; R63-F85 HydrophobicContact CB-CE1 3.81Å; R63-F85 HydrophobicContact CB-CZ 4.05Å; R63-F85 HydrophobicContact CG-CE1 4.45Å; R63-F85 HydrophobicContact CG-CZ 4.46Å; R63-L129 HydrophobicContact CB-CD2 4.36Å; R63-L129 HydrophobicContact CG-CD2 3.37Å |
| 64 | A | 91.5 | Very high | 78.5 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -47.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C62 F85 C89 | C62-A64 PolarHBondContact O-N 3.39Å; A64-F85 HydrophobicContact CB-CD1 3.86Å; A64-F85 HydrophobicContact CB-CE1 4.04Å; A64-C89 HydrophobicContact CB-CB 3.79Å |
| 65 | C | 92.4 | Very high | 80.9 | Confident | 53 Ų | 53 | 83.8 Ų | 83.8 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -4.7 | -175 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | C62 Q67 | C62-C65 WeakPolarHBondContact CB-SG 3.42Å; C62-C65 PolarHBondContact SG-SG 3.29Å; C65-Q67 HydrophobicContact CB-CG 4.49Å; C65-Q67 PolarHBondContact O-N 3.18Å; C65-Q67 VanDerWaalsContact O-N 3.1Å |
| 66 | G | 91.2 | Very high | 83.1 | Confident | 50 Ų | 50 | 81.2 Ų | 81.2 | 52% | 0.515 | 47% | 0.465 | S | S | . | . | trans | 71.9 | -2.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C62 | C62-G66 VanDerWaalsContact O-CA 3.24Å; C62-G66 WeakPolarHBondContact O-CA 3.15Å; C62-G66 PolarHBondContact O-N 3.36Å | ||
| 67 | Q | 92 | Very high | 85.4 | Confident | 107 Ų | 107 | 82.5 Ų | 82.5 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 138.2 | -177.7 | -62.6 | -62.2 | -24.4 | 0 | 0 | 111.6 | V61 C62 C65 | V61-Q67 WeakPolarHBondContact CA-O 3.5Å; C62-Q67 PolarHBondContact N-O 3.24Å; C65-Q67 HydrophobicContact CB-CG 4.49Å; C65-Q67 PolarHBondContact O-N 3.18Å; C65-Q67 VanDerWaalsContact O-N 3.1Å |
| 68 | A | 92.1 | Very high | 87.4 | Confident | 59 Ų | 59 | 77 Ų | 77 | 49% | 0.488 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 141.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V61 | V61-A68 HydrophobicContact CG1-CB 4.35Å |
| 69 | F | 92.7 | Very high | 89.1 | Confident | 38 Ų | 38 | 72.8 Ų | 72.8 | 17% | 0.167 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 145.4 | 171.6 | -60.9 | -62.9 | 0 | 0 | 0 | 110.5 | L60 V61 C62 R73 K75 C86 | L60-F69 WeakPolarHBondContact O-CD2 3.12Å; L60-F69 PolarHBondContact O-N 3.32Å; V61-F69 VanDerWaalsContact O-CE2 3.26Å; V61-F69 WeakPolarHBondContact O-CE2 3.35Å; C62-F69 HydrophobicContact CB-CE1 4.07Å; C62-F69 HydrophobicContact CB-CZ 4.1Å; F69-R73 WeakPolarHBondContact CA-O 3.46Å; F69-R73 WeakPolarHBondContact CD1-O 3.49Å; F69-K75 HydrophobicContact CB-CB 4.47Å; F69-K75 HydrophobicContact CD1-CB 3.74Å; F69-K75 HydrophobicContact CD2-CB 4Å; F69-K75 HydrophobicContact CD2-CD 3.97Å; F69-K75 HydrophobicContact CD2-CG 4.22Å; F69-K75 HydrophobicContact CE1-CB 3.88Å; F69-K75 HydrophobicContact CE1-CG 4.31Å; F69-K75 HydrophobicContact CE2-CB 4.14Å; F69-K75 HydrophobicContact CE2-CD 3.88Å; F69-K75 HydrophobicContact CE2-CG 3.97Å; F69-K75 HydrophobicContact CG-CB 3.81Å; F69-K75 HydrophobicContact CZ-CB 4.08Å; F69-K75 HydrophobicContact CZ-CD 4.43Å; F69-K75 HydrophobicContact CZ-CG 4.02Å; F69-C86 HydrophobicContact CE1-CB 4.34Å |
| 70 | S | 87.2 | Confident | 90.5 | Very high | 66 Ų | 66 | 72.4 Ų | 72.4 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -152.3 | 177.6 | 178.6 | 65.5 | 0 | 0 | 0 | 0 | 109.6 | F72 R73 | S70-F72 PolarHBondContact O-N 2.65Å; S70-F72 VanDerWaalsContact O-N 3.13Å; S70-F72 PolarHBondContact OG-N 2.86Å; S70-R73 PolarHBondContact N-O 3.35Å; S70-R73 VanDerWaalsContact N-O 3.12Å; S70-R73 CarbonylContact O-C 3.5Å; S70-R73 PolarHBondContact O-N 2.78Å; S70-R73 PolarHBondContact OG-N 3.42Å |
| 71 | V | 82.8 | Confident | 90.8 | Very high | 128 Ų | 128 | 67.5 Ų | 67.5 | 78% | 0.776 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.3 | 174.6 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 72 | F | 85 | Confident | 90.8 | Very high | 198 Ų | 198 | 71.7 Ų | 71.7 | 87% | 0.868 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8.5 | 175.5 | -56.6 | -71.7 | 0 | 0 | 0 | 113.3 | S70 | S70-F72 PolarHBondContact O-N 2.65Å; S70-F72 VanDerWaalsContact O-N 3.13Å; S70-F72 PolarHBondContact OG-N 2.86Å |
| 73 | R | 85.9 | Confident | 90.8 | Very high | 78 Ų | 78 | 75.5 Ų | 75.5 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -132.7 | 81.7 | -177.9 | -164.6 | 178.6 | -66.8 | -86.9 | 0.8 | 109.2 | F69 S70 C86 | F69-R73 WeakPolarHBondContact CA-O 3.46Å; F69-R73 WeakPolarHBondContact CD1-O 3.49Å; S70-R73 PolarHBondContact N-O 3.35Å; S70-R73 VanDerWaalsContact N-O 3.12Å; S70-R73 CarbonylContact O-C 3.5Å; S70-R73 PolarHBondContact O-N 2.78Å; S70-R73 PolarHBondContact OG-N 3.42Å; R73-C86 HydrophobicContact CG-CB 3.74Å |
| 74 | I | 88.7 | Confident | 90.9 | Very high | 97 Ų | 97 | 70.8 Ų | 70.8 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | trans | -62.6 | 141.6 | -179.1 | -57.6 | 172.8 | 0 | 0 | 0 | 110.2 | Y76 | I74-Y76 HydrophobicContact CB-CE2 4.03Å; I74-Y76 HydrophobicContact CG2-CE1 4.43Å; I74-Y76 HydrophobicContact CG2-CE2 3.94Å | ||
| 75 | K | 92.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 68 Ų | 68 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.2 | 175.3 | 168.9 | 171.5 | 158.3 | 162.2 | 0 | 110.3 | G59 F69 S84 | G59-K75 PolarHBondContact O-NZ 2.86Å; F69-K75 HydrophobicContact CB-CB 4.47Å; F69-K75 HydrophobicContact CD1-CB 3.74Å; F69-K75 HydrophobicContact CD2-CB 4Å; F69-K75 HydrophobicContact CD2-CD 3.97Å; F69-K75 HydrophobicContact CD2-CG 4.22Å; F69-K75 HydrophobicContact CE1-CB 3.88Å; F69-K75 HydrophobicContact CE1-CG 4.31Å; F69-K75 HydrophobicContact CE2-CB 4.14Å; F69-K75 HydrophobicContact CE2-CD 3.88Å; F69-K75 HydrophobicContact CE2-CG 3.97Å; F69-K75 HydrophobicContact CG-CB 3.81Å; F69-K75 HydrophobicContact CZ-CB 4.08Å; F69-K75 HydrophobicContact CZ-CD 4.43Å; F69-K75 HydrophobicContact CZ-CG 4.02Å; K75-S84 WeakPolarHBondContact CE-OG 3.36Å; K75-S84 PolarHBondContact NZ-OG 3.44Å; K75-S84 VanDerWaalsContact NZ-OG 3.11Å |
| 76 | Y | 93.1 | Very high | 91.1 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 24% | 0.239 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.2 | 170.8 | -64 | -80.7 | 0 | 0 | 0 | 109.9 | I74 S84 F85 R97 | I74-Y76 HydrophobicContact CB-CE2 4.03Å; I74-Y76 HydrophobicContact CG2-CE1 4.43Å; I74-Y76 HydrophobicContact CG2-CE2 3.94Å; Y76-S84 CarbonylContact O-C 3.6Å; Y76-S84 WeakPolarHBondContact O-CA 3.37Å; Y76-F85 PolarHBondContact N-O 3.01Å; Y76-F85 PolarHBondContact O-N 2.74Å; Y76-R97 HydrophobicContact CD1-CG 3.86Å; Y76-R97 HydrophobicContact CG-CG 4.33Å |
| 77 | T | 93.9 | Very high | 91.2 | Very high | 77 Ų | 77 | 66 Ų | 66 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.3 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | ||
| 78 | C | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -71 | 131.1 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | D80 C81 K82 K83 F85 R97 C99 | C78-D80 VanDerWaalsContact C-N 3.29Å; C78-D80 PolarHBondContact O-N 3.28Å; C78-D80 PolarHBondContact SG-N 2.83Å; C78-C81 VanDerWaalsContact SG-SG 3.64Å; C78-K82 WeakPolarHBondContact O-CA 2.94Å; C78-K82 PolarHBondContact O-N 3.27Å; C78-K82 VanDerWaalsContact O-N 3.08Å; C78-K83 PolarHBondContact N-O 3.48Å; C78-F85 HydrophobicContact CB-CD2 3.86Å; C78-F85 HydrophobicContact CB-CE2 3.59Å; C78-R97 CarbonylContact C-O 3.57Å; C78-R97 VanDerWaalsContact CA-O 3.32Å; C78-R97 WeakPolarHBondContact CA-O 3.23Å; C78-C99 HydrophobicContact CB-CB 4.15Å; C78-C99 PolarHBondContact SG-N 3.37Å | ||
| 79 | C | 92.9 | Very high | 91.3 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -35.3 | 176.2 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | K82 L96 R97 | C79-K82 WeakPolarHBondContact O-CD 3.29Å; C79-K82 WeakPolarHBondContact O-CE 3.41Å; C79-K82 PolarHBondContact O-NZ 3.28Å; C79-L96 HydrophobicContact CB-CB 4.27Å; C79-L96 HydrophobicContact CB-CD1 4.34Å; C79-R97 PolarHBondContact N-O 3.08Å; C79-R97 PolarHBondContact SG-O 3.41Å |
| 80 | D | 89.9 | Confident | 91.4 | Very high | 26 Ų | 26 | 64.9 Ų | 64.9 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -71.3 | 180 | -61.9 | -0.3 | 0 | 0 | 0 | 112.7 | C78 K82 I98 C102 K106 | C78-D80 VanDerWaalsContact C-N 3.29Å; C78-D80 PolarHBondContact O-N 3.28Å; C78-D80 PolarHBondContact SG-N 2.83Å; D80-K82 VanDerWaalsContact C-N 3.29Å; D80-K82 PolarHBondContact O-N 3.13Å; D80-I98 VanDerWaalsContact OD2-CD1 3.25Å; D80-I98 WeakPolarHBondContact OD2-CD1 3.22Å; D80-C102 HydrophobicContact CB-CB 3.91Å; D80-C102 WeakPolarHBondContact OD2-CB 3.39Å; D80-K106 VanDerWaalsContact CG-CE 3.47Å; D80-K106 VanDerWaalsContact CG-NZ 3.31Å; D80-K106 WeakPolarHBondContact OD1-CE 3.31Å; D80-K106 IonicContact OD1-NZ 2.65Å; D80-K106 PolarHBondContact OD1-NZ 2.75Å; D80-K106 VanDerWaalsContact OD2-CD 3.31Å; D80-K106 WeakPolarHBondContact OD2-CD 3.34Å; D80-K106 WeakPolarHBondContact OD2-CE 3.44Å; D80-K106 IonicContact OD2-NZ 3.26Å; D80-K106 PolarHBondContact OD2-NZ 2.86Å |
| 81 | C | 91.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -1 | -172.9 | 66.1 | 0 | 0 | 0 | 0 | 115.3 | C78 K83 L129 | C78-C81 VanDerWaalsContact SG-SG 3.64Å; C81-K83 HydrophobicContact CB-CG 4.45Å; C81-K83 WeakPolarHBondContact O-CG 3.41Å; C81-K83 PolarHBondContact O-N 3.04Å; C81-L129 HydrophobicContact CB-CB 3.89Å |
| 82 | K | 92.5 | Very high | 92 | Very high | 147 Ų | 147 | 64.3 Ų | 64.3 | 64% | 0.639 | 32% | 0.321 | S | S | * | . | trans | 55.1 | 10.9 | -178.5 | -45.5 | -58.7 | -175.9 | -174.5 | 0 | 115.6 | C78 C79 D80 | C78-K82 WeakPolarHBondContact O-CA 2.94Å; C78-K82 PolarHBondContact O-N 3.27Å; C78-K82 VanDerWaalsContact O-N 3.08Å; C79-K82 WeakPolarHBondContact O-CD 3.29Å; C79-K82 WeakPolarHBondContact O-CE 3.41Å; C79-K82 PolarHBondContact O-NZ 3.28Å; D80-K82 VanDerWaalsContact C-N 3.29Å; D80-K82 PolarHBondContact O-N 3.13Å | ||
| 83 | K | 92.9 | Very high | 92 | Very high | 82 Ų | 82 | 57.7 Ų | 57.7 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | trans | -84.5 | 164.8 | 176.2 | -53.8 | -50.8 | 179.9 | -166.8 | 0 | 111.7 | R63 C78 C81 F85 L129 | R63-K83 HydrophobicContact CB-CB 4.32Å; R63-K83 HydrophobicContact CG-CB 4.35Å; C78-K83 PolarHBondContact N-O 3.48Å; C81-K83 HydrophobicContact CB-CG 4.45Å; C81-K83 WeakPolarHBondContact O-CG 3.41Å; C81-K83 PolarHBondContact O-N 3.04Å; K83-F85 HydrophobicContact CB-CE2 3.69Å; K83-F85 HydrophobicContact CB-CZ 4Å; K83-F85 WeakPolarHBondContact O-CD2 3.08Å; K83-F85 VanDerWaalsContact O-CE2 3.3Å; K83-F85 WeakPolarHBondContact O-CE2 3.25Å; K83-L129 HydrophobicContact CB-CD2 4.47Å; K83-L129 WeakPolarHBondContact CE-O 3.17Å; K83-L129 HydrophobicContact CG-CD2 4.15Å | ||
| 84 | S | 94.5 | Very high | 91.9 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.7 | -176.8 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | R63 K75 Y76 | R63-S84 PolarHBondContact N-O 3.48Å; K75-S84 WeakPolarHBondContact CE-OG 3.36Å; K75-S84 PolarHBondContact NZ-OG 3.44Å; K75-S84 VanDerWaalsContact NZ-OG 3.11Å; Y76-S84 CarbonylContact O-C 3.6Å; Y76-S84 WeakPolarHBondContact O-CA 3.37Å |
| 85 | F | 94.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157.9 | -176.5 | -61.4 | -89.3 | 0 | 0 | 0 | 111.1 | R63 A64 Y76 C78 K83 C89 T90 C99 L129 | R63-F85 HydrophobicContact CB-CD1 4.29Å; R63-F85 HydrophobicContact CB-CE1 3.81Å; R63-F85 HydrophobicContact CB-CZ 4.05Å; R63-F85 HydrophobicContact CG-CE1 4.45Å; R63-F85 HydrophobicContact CG-CZ 4.46Å; A64-F85 HydrophobicContact CB-CD1 3.86Å; A64-F85 HydrophobicContact CB-CE1 4.04Å; Y76-F85 PolarHBondContact N-O 3.01Å; Y76-F85 PolarHBondContact O-N 2.74Å; C78-F85 HydrophobicContact CB-CD2 3.86Å; C78-F85 HydrophobicContact CB-CE2 3.59Å; K83-F85 HydrophobicContact CB-CE2 3.69Å; K83-F85 HydrophobicContact CB-CZ 4Å; K83-F85 WeakPolarHBondContact O-CD2 3.08Å; K83-F85 VanDerWaalsContact O-CE2 3.3Å; K83-F85 WeakPolarHBondContact O-CE2 3.25Å; F85-C89 HydrophobicContact CB-CB 4.25Å; F85-C89 HydrophobicContact CD1-CB 4.28Å; F85-T90 HydrophobicContact CB-CG2 3.32Å; F85-T90 HydrophobicContact CD2-CG2 4.49Å; F85-T90 HydrophobicContact CG-CG2 4.14Å; F85-C99 HydrophobicContact CD1-CB 3.8Å; F85-C99 HydrophobicContact CD2-CB 3.67Å; F85-C99 HydrophobicContact CE1-CB 3.57Å; F85-C99 HydrophobicContact CE2-CB 3.45Å; F85-C99 VanDerWaalsContact CE2-CB 3.45Å; F85-C99 HydrophobicContact CG-CB 3.84Å; F85-C99 HydrophobicContact CZ-CB 3.39Å; F85-L129 HydrophobicContact CE1-CD2 4.36Å; F85-L129 HydrophobicContact CZ-CD1 4.24Å; F85-L129 HydrophobicContact CZ-CD2 3.8Å |
| 86 | C | 94.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 167.6 | 173.6 | 76.1 | 0 | 0 | 0 | 0 | 111.6 | C62 F69 R73 L88 C89 T90 | C62-C86 HydrophobicContact CB-CB 4.36Å; C62-C86 PolarHBondContact SG-N 3.38Å; C62-C86 VanDerWaalsContact SG-N 3.36Å; F69-C86 HydrophobicContact CE1-CB 4.34Å; R73-C86 HydrophobicContact CG-CB 3.74Å; C86-L88 PolarHBondContact O-N 3.17Å; C86-L88 VanDerWaalsContact O-N 3.15Å; C86-C89 CarbonylContact O-C 3.5Å; C86-C89 PolarHBondContact O-N 3.47Å; C86-T90 PolarHBondContact O-N 3.02Å; C86-T90 PolarHBondContact O-OG1 2.83Å |
| 87 | S | 91.8 | Very high | 91.6 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -51.6 | -37.9 | 178.3 | 50 | 0 | 0 | 0 | 0 | 113.6 | C89 T90 | S87-C89 VanDerWaalsContact C-N 3.29Å; S87-C89 PolarHBondContact O-N 3.17Å; S87-T90 PolarHBondContact O-OG1 3.44Å |
| 88 | L | 92.5 | Very high | 91.6 | Very high | 150 Ų | 150 | 59.7 Ų | 59.7 | 79% | 0.785 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -75.2 | -14.7 | 179.2 | -63 | 172.8 | 0 | 0 | 0 | 114.1 | C86 | C86-L88 PolarHBondContact O-N 3.17Å; C86-L88 VanDerWaalsContact O-N 3.15Å |
| 89 | C | 93.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 14% | 0.142 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -109.4 | 8 | 179.8 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | A64 F85 C86 S87 C99 A100 | A64-C89 HydrophobicContact CB-CB 3.79Å; F85-C89 HydrophobicContact CB-CB 4.25Å; F85-C89 HydrophobicContact CD1-CB 4.28Å; C86-C89 CarbonylContact O-C 3.5Å; C86-C89 PolarHBondContact O-N 3.47Å; S87-C89 VanDerWaalsContact C-N 3.29Å; S87-C89 PolarHBondContact O-N 3.17Å; C89-C99 WeakPolarHBondContact O-CA 3.35Å; C89-A100 PolarHBondContact O-N 2.84Å |
| 90 | T | 94.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.2 | 176.9 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | F85 C86 S87 R97 I98 | F85-T90 HydrophobicContact CB-CG2 3.32Å; F85-T90 HydrophobicContact CD2-CG2 4.49Å; F85-T90 HydrophobicContact CG-CG2 4.14Å; C86-T90 PolarHBondContact O-N 3.02Å; C86-T90 PolarHBondContact O-OG1 2.83Å; S87-T90 PolarHBondContact O-OG1 3.44Å; T90-R97 PolarHBondContact OG1-NH1 2.94Å; T90-I98 CarbonylContact C-O 3.59Å; T90-I98 WeakPolarHBondContact CA-O 3.39Å |
| 91 | E | 92.1 | Very high | 91.8 | Very high | 91 Ų | 91 | 60.5 Ų | 60.5 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 159.9 | 171.4 | -66.2 | -179.1 | -164.9 | 0 | 0 | 108.9 | R97 I98 H103 | E91-R97 WeakPolarHBondContact O-CA 3.27Å; E91-I98 HydrophobicContact CB-CG2 4.27Å; E91-I98 PolarHBondContact N-O 3.04Å; E91-I98 PolarHBondContact O-N 2.86Å; E91-H103 IonicContact OE2-CE1 3.09Å; E91-H103 PolarHBondContact OE2-CE1 3.25Å; E91-H103 IonicContact OE2-CG 3.67Å; E91-H103 IonicContact OE2-ND1 2.76Å; E91-H103 PolarHBondContact OE2-ND1 2.96Å |
| 92 | V | 91.3 | Very high | 91.9 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.5 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | L96 | V92-L96 CarbonylContact C-O 3.58Å; V92-L96 WeakPolarHBondContact CA-O 3.48Å |
| 93 | L | 84.3 | Confident | 92 | Very high | 60 Ų | 60 | 55.8 Ų | 55.8 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.7 | 174.4 | -177.2 | 66.7 | 0 | 0 | 0 | 107.2 | S95 L96 I98 | L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.48Å; L93-L96 PolarHBondContact N-O 3.22Å; L93-L96 WeakPolarHBondContact O-CA 3.36Å; L93-L96 PolarHBondContact O-N 2.87Å; L93-I98 HydrophobicContact CB-CG2 3.94Å; L93-I98 HydrophobicContact CD2-CD1 4.47Å |
| 94 | E | 84.1 | Confident | 92 | Very high | 170 Ų | 170 | 55 Ų | 55 | 79% | 0.794 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 48.4 | 176.7 | -62.9 | 172.1 | -179.7 | 0 | 0 | 113 | L96 | E94-L96 PolarHBondContact O-N 3.47Å; E94-L96 VanDerWaalsContact O-N 3.14Å |
| 95 | S | 85.9 | Confident | 92 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 79% | 0.79 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | -6.9 | -175.8 | 77.5 | 0 | 0 | 0 | 0 | 117 | L93 | L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.48Å |
| 96 | L | 89.4 | Confident | 91.7 | Very high | 103 Ų | 103 | 58 Ų | 58 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 150.4 | 175.1 | -63.6 | 175.1 | 0 | 0 | 0 | 112.2 | C79 V92 L93 E94 | C79-L96 HydrophobicContact CB-CB 4.27Å; C79-L96 HydrophobicContact CB-CD1 4.34Å; V92-L96 CarbonylContact C-O 3.58Å; V92-L96 WeakPolarHBondContact CA-O 3.48Å; L93-L96 PolarHBondContact N-O 3.22Å; L93-L96 WeakPolarHBondContact O-CA 3.36Å; L93-L96 PolarHBondContact O-N 2.87Å; E94-L96 PolarHBondContact O-N 3.47Å; E94-L96 VanDerWaalsContact O-N 3.14Å |
| 97 | R | 93.4 | Very high | 91.6 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 27% | 0.268 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 123.4 | 175.8 | -75.1 | -78.6 | -176.6 | 171.7 | -5.2 | 110 | Y76 C78 C79 T90 E91 | Y76-R97 HydrophobicContact CD1-CG 3.86Å; Y76-R97 HydrophobicContact CG-CG 4.33Å; C78-R97 CarbonylContact C-O 3.57Å; C78-R97 VanDerWaalsContact CA-O 3.32Å; C78-R97 WeakPolarHBondContact CA-O 3.23Å; C79-R97 PolarHBondContact N-O 3.08Å; C79-R97 PolarHBondContact SG-O 3.41Å; T90-R97 PolarHBondContact OG1-NH1 2.94Å; E91-R97 WeakPolarHBondContact O-CA 3.27Å |
| 98 | I | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.1 | 176.1 | -171.8 | 165.6 | 0 | 0 | 0 | 109.9 | D80 T90 E91 L93 C102 H103 K106 | D80-I98 VanDerWaalsContact OD2-CD1 3.25Å; D80-I98 WeakPolarHBondContact OD2-CD1 3.22Å; T90-I98 CarbonylContact C-O 3.59Å; T90-I98 WeakPolarHBondContact CA-O 3.39Å; E91-I98 HydrophobicContact CB-CG2 4.27Å; E91-I98 PolarHBondContact N-O 3.04Å; E91-I98 PolarHBondContact O-N 2.86Å; L93-I98 HydrophobicContact CB-CG2 3.94Å; L93-I98 HydrophobicContact CD2-CD1 4.47Å; I98-C102 HydrophobicContact CD1-CB 3.98Å; I98-C102 HydrophobicContact CG1-CB 3.73Å; I98-H103 HydrophobicContact CD1-CB 4.08Å; I98-H103 HydrophobicContact CG1-CB 4.14Å; I98-H103 HydrophobicContact CG2-CB 3.96Å; I98-K106 HydrophobicContact CD1-CD 3.71Å |
| 99 | C | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 152.9 | 175.3 | 79.7 | 0 | 0 | 0 | 0 | 110.9 | C78 F85 C89 T101 C102 H103 | C78-C99 HydrophobicContact CB-CB 4.15Å; C78-C99 PolarHBondContact SG-N 3.37Å; F85-C99 HydrophobicContact CD1-CB 3.8Å; F85-C99 HydrophobicContact CD2-CB 3.67Å; F85-C99 HydrophobicContact CE1-CB 3.57Å; F85-C99 HydrophobicContact CE2-CB 3.45Å; F85-C99 VanDerWaalsContact CE2-CB 3.45Å; F85-C99 HydrophobicContact CG-CB 3.84Å; F85-C99 HydrophobicContact CZ-CB 3.39Å; C89-C99 WeakPolarHBondContact O-CA 3.35Å; C99-T101 PolarHBondContact O-N 3.48Å; C99-T101 VanDerWaalsContact O-N 3.14Å; C99-C102 PolarHBondContact O-N 3.19Å; C99-C102 VanDerWaalsContact O-N 3.1Å; C99-C102 PolarHBondContact SG-N 3.44Å; C99-C102 VanDerWaalsContact SG-N 3.37Å; C99-C102 PolarHBondContact SG-SG 3.11Å; C99-H103 WeakPolarHBondContact O-CB 3.05Å; C99-H103 PolarHBondContact O-N 3.17Å |
| 100 | A | 92.3 | Very high | 91.3 | Very high | 48 Ų | 48 | 53 Ų | 53 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.7 | -36.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C89 L104 | C89-A100 PolarHBondContact O-N 2.84Å; A100-L104 VanDerWaalsContact O-CB 3.31Å; A100-L104 WeakPolarHBondContact O-CB 3.01Å; A100-L104 PolarHBondContact O-N 2.93Å |
| 101 | T | 93.8 | Very high | 91.1 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 15% | 0.153 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -47.6 | 177.4 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | C99 H103 L104 L105 Q125 Y126 L129 | C99-T101 PolarHBondContact O-N 3.48Å; C99-T101 VanDerWaalsContact O-N 3.14Å; T101-H103 VanDerWaalsContact C-N 3.34Å; T101-L104 PolarHBondContact O-N 2.9Å; T101-L105 HydrophobicContact CG2-CD1 4.14Å; T101-L105 WeakPolarHBondContact O-CD1 3.36Å; T101-L105 PolarHBondContact O-N 3.33Å; T101-L105 VanDerWaalsContact O-N 3.13Å; T101-Q125 HydrophobicContact CG2-CB 4.26Å; T101-Q125 HydrophobicContact CG2-CG 3.99Å; T101-Y126 HydrophobicContact CG2-CD2 4.47Å; T101-L129 HydrophobicContact CG2-CD1 4.04Å |
| 102 | C | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 178 | -71.2 | 0 | 0 | 0 | 0 | 111.4 | D80 I98 C99 L104 L105 K106 | D80-C102 HydrophobicContact CB-CB 3.91Å; D80-C102 WeakPolarHBondContact OD2-CB 3.39Å; I98-C102 HydrophobicContact CD1-CB 3.98Å; I98-C102 HydrophobicContact CG1-CB 3.73Å; C99-C102 PolarHBondContact O-N 3.19Å; C99-C102 VanDerWaalsContact O-N 3.1Å; C99-C102 PolarHBondContact SG-N 3.44Å; C99-C102 VanDerWaalsContact SG-N 3.37Å; C99-C102 PolarHBondContact SG-SG 3.11Å; C102-L104 PolarHBondContact O-N 2.8Å; C102-L105 PolarHBondContact O-N 3.25Å; C102-K106 PolarHBondContact O-N 2.74Å |
| 103 | H | 93.6 | Very high | 91 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 175.3 | -176.6 | -126.8 | 0 | 0 | 0 | 111.7 | E91 I98 C99 T101 L105 K106 A107 | E91-H103 IonicContact OE2-CE1 3.09Å; E91-H103 PolarHBondContact OE2-CE1 3.25Å; E91-H103 IonicContact OE2-CG 3.67Å; E91-H103 IonicContact OE2-ND1 2.76Å; E91-H103 PolarHBondContact OE2-ND1 2.96Å; I98-H103 HydrophobicContact CD1-CB 4.08Å; I98-H103 HydrophobicContact CG1-CB 4.14Å; I98-H103 HydrophobicContact CG2-CB 3.96Å; C99-H103 WeakPolarHBondContact O-CB 3.05Å; C99-H103 PolarHBondContact O-N 3.17Å; T101-H103 VanDerWaalsContact C-N 3.34Å; H103-L105 VanDerWaalsContact C-N 3.32Å; H103-L105 PolarHBondContact O-N 2.79Å; H103-K106 PolarHBondContact O-N 3.02Å; H103-A107 WeakPolarHBondContact O-CB 3.48Å; H103-A107 PolarHBondContact O-N 3.42Å |
| 104 | L | 93.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 60.7 Ų | 60.7 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 176.3 | 178.3 | 64.2 | 0 | 0 | 0 | 112.3 | A100 T101 C102 L118 D122 | A100-L104 VanDerWaalsContact O-CB 3.31Å; A100-L104 WeakPolarHBondContact O-CB 3.01Å; A100-L104 PolarHBondContact O-N 2.93Å; T101-L104 PolarHBondContact O-N 2.9Å; C102-L104 PolarHBondContact O-N 2.8Å; L104-L118 HydrophobicContact CD1-CD2 4Å; L104-L118 HydrophobicContact CD2-CD2 4.21Å; L104-L118 HydrophobicContact CG-CD2 4.05Å; L104-D122 HydrophobicContact CD2-CB 4.13Å |
| 105 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.4 | -41 | 178.4 | -86.7 | 87 | 0 | 0 | 0 | 112.4 | T101 C102 H103 A107 T108 F110 L115 L118 Y126 V147 | T101-L105 HydrophobicContact CG2-CD1 4.14Å; T101-L105 WeakPolarHBondContact O-CD1 3.36Å; T101-L105 PolarHBondContact O-N 3.33Å; T101-L105 VanDerWaalsContact O-N 3.13Å; C102-L105 PolarHBondContact O-N 3.25Å; H103-L105 VanDerWaalsContact C-N 3.32Å; H103-L105 PolarHBondContact O-N 2.79Å; L105-A107 PolarHBondContact O-N 3.26Å; L105-T108 WeakPolarHBondContact O-CB 3.49Å; L105-T108 PolarHBondContact O-N 3.14Å; L105-T108 PolarHBondContact O-OG1 3.44Å; L105-F110 HydrophobicContact CB-CE1 4.3Å; L105-L115 HydrophobicContact CD2-CD2 4.23Å; L105-L115 HydrophobicContact CG-CD2 4.43Å; L105-L118 HydrophobicContact CD1-CD1 4.34Å; L105-L118 HydrophobicContact CG-CD1 4.14Å; L105-Y126 HydrophobicContact CB-CD2 4.02Å; L105-Y126 HydrophobicContact CB-CE2 3.97Å; L105-Y126 HydrophobicContact CD1-CD2 3.76Å; L105-Y126 HydrophobicContact CD1-CG 3.83Å; L105-Y126 HydrophobicContact CD2-CD1 3.31Å; L105-Y126 HydrophobicContact CD2-CD2 3.53Å; L105-Y126 HydrophobicContact CD2-CE1 3.62Å; L105-Y126 HydrophobicContact CD2-CE2 3.84Å; L105-Y126 HydrophobicContact CD2-CG 3.22Å; L105-Y126 HydrophobicContact CG-CD2 3.95Å; L105-Y126 HydrophobicContact CG-CE2 4.32Å; L105-Y126 HydrophobicContact CG-CG 4.02Å; L105-V147 HydrophobicContact CD2-CG1 3.94Å; L105-V147 HydrophobicContact CD2-CG2 4.26Å |
| 106 | K | 89.7 | Confident | 92.3 | Very high | 84 Ų | 84 | 49.3 Ų | 49.3 | 37% | 0.365 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.9 | -38.3 | 172.9 | -85 | -171 | 167.4 | 173.5 | 0 | 112.1 | D80 I98 C102 H103 T108 A109 F110 | D80-K106 VanDerWaalsContact CG-CE 3.47Å; D80-K106 VanDerWaalsContact CG-NZ 3.31Å; D80-K106 WeakPolarHBondContact OD1-CE 3.31Å; D80-K106 IonicContact OD1-NZ 2.65Å; D80-K106 PolarHBondContact OD1-NZ 2.75Å; D80-K106 VanDerWaalsContact OD2-CD 3.31Å; D80-K106 WeakPolarHBondContact OD2-CD 3.34Å; D80-K106 WeakPolarHBondContact OD2-CE 3.44Å; D80-K106 IonicContact OD2-NZ 3.26Å; D80-K106 PolarHBondContact OD2-NZ 2.86Å; I98-K106 HydrophobicContact CD1-CD 3.71Å; C102-K106 PolarHBondContact O-N 2.74Å; H103-K106 PolarHBondContact O-N 3.02Å; K106-T108 PolarHBondContact O-N 2.64Å; K106-A109 WeakPolarHBondContact O-CA 3.43Å; K106-A109 PolarHBondContact O-N 2.84Å; K106-F110 HydrophobicContact CG-CE2 4.14Å; K106-F110 HydrophobicContact CG-CZ 4.28Å |
| 107 | A | 90.6 | Very high | 92.5 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 44% | 0.438 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H103 L105 A109 R114 | H103-A107 WeakPolarHBondContact O-CB 3.48Å; H103-A107 PolarHBondContact O-N 3.42Å; L105-A107 PolarHBondContact O-N 3.26Å; A107-A109 VanDerWaalsContact C-N 3.29Å; A107-R114 VanDerWaalsContact O-CZ 3.28Å; A107-R114 PolarHBondContact O-NH2 2.94Å |
| 108 | T | 91.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.6 | 172.8 | 73.6 | 0 | 0 | 0 | 0 | 113.8 | L105 K106 F110 H111 R114 L115 L118 | L105-T108 WeakPolarHBondContact O-CB 3.49Å; L105-T108 PolarHBondContact O-N 3.14Å; L105-T108 PolarHBondContact O-OG1 3.44Å; K106-T108 PolarHBondContact O-N 2.64Å; T108-F110 PolarHBondContact O-N 3.37Å; T108-F110 PolarHBondContact OG1-N 3Å; T108-H111 PolarHBondContact O-N 3.29Å; T108-R114 HydrophobicContact CG2-CB 4.27Å; T108-R114 VanDerWaalsContact O-CD 3.28Å; T108-R114 WeakPolarHBondContact O-CD 3Å; T108-L115 HydrophobicContact CG2-CD2 4.29Å; T108-L115 WeakPolarHBondContact OG1-CD2 3.37Å; T108-L118 HydrophobicContact CG2-CD1 3.77Å; T108-L118 HydrophobicContact CG2-CD2 4.34Å; T108-L118 HydrophobicContact CG2-CG 4.15Å |
| 109 | A | 90.1 | Very high | 92.6 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 35% | 0.347 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 23.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K106 A107 H111 R151 | K106-A109 WeakPolarHBondContact O-CA 3.43Å; K106-A109 PolarHBondContact O-N 2.84Å; A107-A109 VanDerWaalsContact C-N 3.29Å; A109-H111 PolarHBondContact O-N 3.33Å; A109-R151 PolarHBondContact O-NH1 3.1Å |
| 110 | F | 90.9 | Very high | 92.5 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 35.1 | -175.9 | -53.8 | -92 | 0 | 0 | 0 | 114.1 | L105 K106 T108 Y126 V147 L148 R151 | L105-F110 HydrophobicContact CB-CE1 4.3Å; K106-F110 HydrophobicContact CG-CE2 4.14Å; K106-F110 HydrophobicContact CG-CZ 4.28Å; T108-F110 PolarHBondContact O-N 3.37Å; T108-F110 PolarHBondContact OG1-N 3Å; F110-Y126 VanDerWaalsContact CE1-OH 3.3Å; F110-Y126 WeakPolarHBondContact CE1-OH 3.45Å; F110-V147 HydrophobicContact CD1-CG1 3.92Å; F110-V147 HydrophobicContact CE1-CG1 4.26Å; F110-L148 HydrophobicContact CB-CD2 4.3Å; F110-L148 WeakPolarHBondContact O-CD2 3.49Å; F110-R151 VanDerWaalsContact CG-CD 3.45Å |
| 111 | H | 91.1 | Very high | 92.6 | Very high | 111 Ų | 111 | 63 Ų | 63 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | trans | -83.4 | 132.5 | 169.8 | -71.3 | -74.8 | 0 | 0 | 0 | 110.9 | T108 A109 P113 R114 L115 | T108-H111 PolarHBondContact O-N 3.29Å; A109-H111 PolarHBondContact O-N 3.33Å; H111-P113 VanDerWaalsContact C-CD 3.49Å; H111-R114 HydrophobicContact CB-CB 4.46Å; H111-R114 HydrophobicContact CB-CG 4.33Å; H111-R114 WeakPolarHBondContact O-CA 3.26Å; H111-R114 WeakPolarHBondContact O-CB 3.21Å; H111-R114 PolarHBondContact O-N 2.98Å; H111-L115 PolarHBondContact O-N 3.13Å | ||
| 112 | R | 89.7 | Confident | 92.6 | Very high | 102 Ų | 102 | 63 Ų | 63 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -45.6 | -49.8 | 179.7 | -167.8 | -170.3 | -166.4 | 77.7 | 5 | 113.7 | R114 L115 M116 V144 D145 L148 | R112-R114 PolarHBondContact O-N 3.27Å; R112-L115 PolarHBondContact O-N 3.19Å; R112-M116 HydrophobicContact CG-CG 4.45Å; R112-M116 WeakPolarHBondContact O-CB 3.36Å; R112-M116 WeakPolarHBondContact O-CG 3.5Å; R112-M116 PolarHBondContact O-N 3.26Å; R112-V144 HydrophobicContact CG-CG1 3.98Å; R112-D145 IonicContact CZ-OD1 3.99Å; R112-D145 IonicContact CZ-OD2 2.79Å; R112-D145 IonicContact NH1-OD1 3.59Å; R112-D145 PolarHBondContact NH1-OD1 3.28Å; R112-D145 IonicContact NH1-OD2 3.66Å; R112-D145 IonicContact NH2-OD1 3.37Å; R112-D145 PolarHBondContact NH2-OD1 2.81Å; R112-D145 IonicContact NH2-OD2 3.18Å; R112-D145 PolarHBondContact NH2-OD2 3.33Å; R112-L148 HydrophobicContact CB-CD1 4.13Å; R112-L148 HydrophobicContact CG-CD1 4.34Å |
| 113 | P | 91.6 | Very high | 92.7 | Very high | 91 Ų | 91 | 63 Ų | 63 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.6 | -20.6 | -178.3 | -18.6 | 33.6 | 0 | 0 | 0 | 114.1 | H111 R117 | H111-P113 VanDerWaalsContact C-CD 3.49Å; P113-R117 PolarHBondContact O-NE 2.98Å; P113-R117 VanDerWaalsContact O-NE 3.08Å |
| 114 | R | 93 | Very high | 92.7 | Very high | 109 Ų | 109 | 64.2 Ų | 64.2 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -84.5 | -42.4 | 176.9 | -66 | 178.4 | 75.3 | 176.9 | 6.2 | 110.4 | A107 T108 H111 R112 M116 R117 | A107-R114 VanDerWaalsContact O-CZ 3.28Å; A107-R114 PolarHBondContact O-NH2 2.94Å; T108-R114 HydrophobicContact CG2-CB 4.27Å; T108-R114 VanDerWaalsContact O-CD 3.28Å; T108-R114 WeakPolarHBondContact O-CD 3Å; H111-R114 HydrophobicContact CB-CB 4.46Å; H111-R114 HydrophobicContact CB-CG 4.33Å; H111-R114 WeakPolarHBondContact O-CA 3.26Å; H111-R114 WeakPolarHBondContact O-CB 3.21Å; H111-R114 PolarHBondContact O-N 2.98Å; R112-R114 PolarHBondContact O-N 3.27Å; R114-M116 VanDerWaalsContact C-N 3.34Å; R114-M116 PolarHBondContact O-N 3.27Å; R114-R117 WeakPolarHBondContact O-CB 3.31Å; R114-R117 PolarHBondContact O-N 3.44Å; R114-R117 VanDerWaalsContact O-N 3.14Å |
| 115 | L | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 173.1 | -68.9 | 171.7 | 0 | 0 | 0 | 112 | L105 T108 H111 R112 R117 L118 L123 V144 V147 L148 | L105-L115 HydrophobicContact CD2-CD2 4.23Å; L105-L115 HydrophobicContact CG-CD2 4.43Å; T108-L115 HydrophobicContact CG2-CD2 4.29Å; T108-L115 WeakPolarHBondContact OG1-CD2 3.37Å; H111-L115 PolarHBondContact O-N 3.13Å; R112-L115 PolarHBondContact O-N 3.19Å; L115-R117 PolarHBondContact O-N 2.75Å; L115-R117 VanDerWaalsContact O-N 3.1Å; L115-L118 HydrophobicContact CD2-CD1 4.2Å; L115-L118 WeakPolarHBondContact O-CB 3.46Å; L115-L118 PolarHBondContact O-N 3.32Å; L115-L123 HydrophobicContact CD2-CD2 4.25Å; L115-V144 HydrophobicContact CB-CB 4.44Å; L115-V144 HydrophobicContact CB-CG1 3.73Å; L115-V144 HydrophobicContact CB-CG2 3.94Å; L115-V144 HydrophobicContact CD1-CG1 4Å; L115-V147 HydrophobicContact CD1-CG1 3.89Å; L115-V147 HydrophobicContact CD2-CG1 4.13Å; L115-L148 HydrophobicContact CD1-CD2 3.71Å; L115-L148 HydrophobicContact CD1-CG 4.02Å |
| 116 | M | 92.9 | Very high | 92.7 | Very high | 44 Ų | 44 | 64 Ų | 64 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.8 | 175.5 | -77.9 | -54.8 | -56.9 | 0 | 0 | 114.3 | R112 R114 K140 E141 V144 | R112-M116 HydrophobicContact CG-CG 4.45Å; R112-M116 WeakPolarHBondContact O-CB 3.36Å; R112-M116 WeakPolarHBondContact O-CG 3.5Å; R112-M116 PolarHBondContact O-N 3.26Å; R114-M116 VanDerWaalsContact C-N 3.34Å; R114-M116 PolarHBondContact O-N 3.27Å; M116-K140 HydrophobicContact CE-CB 4.44Å; M116-K140 HydrophobicContact CE-CD 3.97Å; M116-K140 HydrophobicContact CE-CG 4.12Å; M116-K140 VanDerWaalsContact O-CE 3.29Å; M116-K140 WeakPolarHBondContact O-CE 3.34Å; M116-K140 PolarHBondContact O-NZ 3.34Å; M116-K140 HydrophobicContact SD-CG 4.36Å; M116-E141 HydrophobicContact CE-CG 4.07Å; M116-E141 WeakPolarHBondContact CE-OE1 3.49Å; M116-E141 HydrophobicContact SD-CG 4.12Å; M116-V144 HydrophobicContact CG-CG1 4.45Å; M116-V144 HydrophobicContact CG-CG2 4.23Å; M116-V144 HydrophobicContact SD-CB 4.04Å; M116-V144 HydrophobicContact SD-CG1 4.42Å; M116-V144 HydrophobicContact SD-CG2 3.51Å; M116-V144 VanDerWaalsContact SD-CG2 3.51Å |
| 117 | R | 95.5 | Very high | 92.8 | Very high | 185 Ų | 185 | 60 Ų | 60 | 70% | 0.698 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -16.1 | 174 | -73.6 | -178.3 | -80.7 | 173.4 | -9.3 | 113.4 | P113 R114 L115 | P113-R117 PolarHBondContact O-NE 2.98Å; P113-R117 VanDerWaalsContact O-NE 3.08Å; R114-R117 WeakPolarHBondContact O-CB 3.31Å; R114-R117 PolarHBondContact O-N 3.44Å; R114-R117 VanDerWaalsContact O-N 3.14Å; L115-R117 PolarHBondContact O-N 2.75Å; L115-R117 VanDerWaalsContact O-N 3.1Å |
| 118 | L | 93.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72.6 | 150.3 | 177.6 | -64.9 | -177.8 | 0 | 0 | 0 | 111.6 | L104 L105 T108 L115 L123 K140 | L104-L118 HydrophobicContact CD1-CD2 4Å; L104-L118 HydrophobicContact CD2-CD2 4.21Å; L104-L118 HydrophobicContact CG-CD2 4.05Å; L105-L118 HydrophobicContact CD1-CD1 4.34Å; L105-L118 HydrophobicContact CG-CD1 4.14Å; T108-L118 HydrophobicContact CG2-CD1 3.77Å; T108-L118 HydrophobicContact CG2-CD2 4.34Å; T108-L118 HydrophobicContact CG2-CG 4.15Å; L115-L118 HydrophobicContact CD2-CD1 4.2Å; L115-L118 WeakPolarHBondContact O-CB 3.46Å; L115-L118 PolarHBondContact O-N 3.32Å; L118-L123 HydrophobicContact CB-CD2 4.33Å; L118-L123 HydrophobicContact CB-CG 4.34Å; L118-L123 HydrophobicContact CD1-CD2 4.22Å; L118-K140 WeakPolarHBondContact O-CE 3.12Å; L118-K140 PolarHBondContact O-NZ 3.08Å |
| 119 | P | 94.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | trans | -60.8 | 145.3 | 171.3 | -23.1 | 34 | 0 | 0 | 0 | 112.5 | R121 D122 L123 | P119-R121 PolarHBondContact O-N 3.03Å; P119-D122 WeakPolarHBondContact CD-OD2 3.28Å; P119-D122 WeakPolarHBondContact CG-OD2 3.4Å; P119-D122 PolarHBondContact O-N 3.2Å; P119-L123 PolarHBondContact O-N 3.39Å | ||
| 120 | V | 94.6 | Very high | 92.8 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54.1 | -37.6 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | D122 L123 R124 K140 L143 | V120-D122 VanDerWaalsContact C-N 3.3Å; V120-D122 PolarHBondContact O-N 3.07Å; V120-L123 PolarHBondContact O-N 2.82Å; V120-R124 HydrophobicContact CG1-CG 4.31Å; V120-R124 WeakPolarHBondContact O-CB 3.44Å; V120-R124 WeakPolarHBondContact O-CG 3.5Å; V120-R124 PolarHBondContact O-N 3.16Å; V120-K140 HydrophobicContact CG2-CB 4.18Å; V120-K140 HydrophobicContact CG2-CD 3.96Å; V120-K140 HydrophobicContact CG2-CG 3.91Å; V120-L143 HydrophobicContact CG1-CD1 3.7Å |
| 121 | R | 94.1 | Very high | 92.6 | Very high | 180 Ų | 180 | 64.3 Ų | 64.3 | 68% | 0.679 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56.4 | -44.1 | 176.5 | -176.6 | -165.2 | 67 | -164.9 | -4.2 | 111.9 | P119 Q125 | P119-R121 PolarHBondContact O-N 3.03Å; R121-Q125 WeakPolarHBondContact O-CB 3.43Å; R121-Q125 PolarHBondContact O-N 3.29Å |
| 122 | D | 93.7 | Very high | 92.5 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76.4 | -35.6 | -172.9 | -58.6 | -22 | 0 | 0 | 0 | 110.6 | L104 P119 V120 Q125 Y126 | L104-D122 HydrophobicContact CD2-CB 4.13Å; P119-D122 WeakPolarHBondContact CD-OD2 3.28Å; P119-D122 WeakPolarHBondContact CG-OD2 3.4Å; P119-D122 PolarHBondContact O-N 3.2Å; V120-D122 VanDerWaalsContact C-N 3.3Å; V120-D122 PolarHBondContact O-N 3.07Å; D122-Q125 PolarHBondContact O-N 3.03Å; D122-Y126 WeakPolarHBondContact O-CB 3.35Å; D122-Y126 PolarHBondContact O-N 2.83Å |
| 123 | L | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 170.3 | -64.5 | 172.9 | 0 | 0 | 0 | 111.4 | L115 L118 P119 V120 Q125 Y126 L127 K140 L143 V144 V147 | L115-L123 HydrophobicContact CD2-CD2 4.25Å; L118-L123 HydrophobicContact CB-CD2 4.33Å; L118-L123 HydrophobicContact CB-CG 4.34Å; L118-L123 HydrophobicContact CD1-CD2 4.22Å; P119-L123 PolarHBondContact O-N 3.39Å; V120-L123 PolarHBondContact O-N 2.82Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-Q125 PolarHBondContact O-N 2.95Å; L123-Y126 PolarHBondContact O-N 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.25Å; L123-K140 HydrophobicContact CD1-CG 4.16Å; L123-L143 HydrophobicContact CB-CB 4.22Å; L123-L143 HydrophobicContact CD1-CB 4.31Å; L123-V144 HydrophobicContact CD1-CG2 3.7Å; L123-V144 HydrophobicContact CD2-CG2 4.39Å; L123-V147 HydrophobicContact CD2-CG2 4.42Å |
| 124 | R | 93.4 | Very high | 92.3 | Very high | 84 Ų | 84 | 56.2 Ų | 56.2 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 177.1 | -73 | -175.5 | 180 | -87 | 0.2 | 112.1 | V120 Y126 L127 L128 T134 C137 L143 | V120-R124 HydrophobicContact CG1-CG 4.31Å; V120-R124 WeakPolarHBondContact O-CB 3.44Å; V120-R124 WeakPolarHBondContact O-CG 3.5Å; V120-R124 PolarHBondContact O-N 3.16Å; R124-Y126 VanDerWaalsContact C-N 3.33Å; R124-Y126 PolarHBondContact O-N 3.25Å; R124-L127 PolarHBondContact O-N 3.04Å; R124-L128 VanDerWaalsContact O-CB 3.28Å; R124-L128 WeakPolarHBondContact O-CB 3.34Å; R124-L128 PolarHBondContact O-N 3.35Å; R124-T134 VanDerWaalsContact NH1-CB 3.32Å; R124-T134 PolarHBondContact NH1-O 3.4Å; R124-T134 PolarHBondContact NH1-OG1 2.74Å; R124-C137 PolarHBondContact NH2-O 2.85Å; R124-L143 HydrophobicContact CG-CD1 3.73Å; R124-L143 HydrophobicContact CG-CD2 3.77Å; R124-L143 HydrophobicContact CG-CG 4.43Å |
| 125 | Q | 93.3 | Very high | 92 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.8 | -178.5 | 59.1 | 47.2 | 0 | 0 | 111.5 | T101 R121 D122 L123 L128 L129 | T101-Q125 HydrophobicContact CG2-CB 4.26Å; T101-Q125 HydrophobicContact CG2-CG 3.99Å; R121-Q125 WeakPolarHBondContact O-CB 3.43Å; R121-Q125 PolarHBondContact O-N 3.29Å; D122-Q125 PolarHBondContact O-N 3.03Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-Q125 PolarHBondContact O-N 2.95Å; Q125-L128 PolarHBondContact O-N 3.05Å; Q125-L129 VanDerWaalsContact O-CG 3.27Å; Q125-L129 WeakPolarHBondContact O-CG 3.04Å; Q125-L129 PolarHBondContact O-N 3.48Å |
| 126 | Y | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 175.9 | 178.7 | -97.5 | 0 | 0 | 0 | 112.5 | T101 L105 F110 D122 L123 R124 L128 L129 R130 V147 | T101-Y126 HydrophobicContact CG2-CD2 4.47Å; L105-Y126 HydrophobicContact CB-CD2 4.02Å; L105-Y126 HydrophobicContact CB-CE2 3.97Å; L105-Y126 HydrophobicContact CD1-CD2 3.76Å; L105-Y126 HydrophobicContact CD1-CG 3.83Å; L105-Y126 HydrophobicContact CD2-CD1 3.31Å; L105-Y126 HydrophobicContact CD2-CD2 3.53Å; L105-Y126 HydrophobicContact CD2-CE1 3.62Å; L105-Y126 HydrophobicContact CD2-CE2 3.84Å; L105-Y126 HydrophobicContact CD2-CG 3.22Å; L105-Y126 HydrophobicContact CG-CD2 3.95Å; L105-Y126 HydrophobicContact CG-CE2 4.32Å; L105-Y126 HydrophobicContact CG-CG 4.02Å; F110-Y126 VanDerWaalsContact CE1-OH 3.3Å; F110-Y126 WeakPolarHBondContact CE1-OH 3.45Å; D122-Y126 WeakPolarHBondContact O-CB 3.35Å; D122-Y126 PolarHBondContact O-N 2.83Å; L123-Y126 PolarHBondContact O-N 3.28Å; R124-Y126 VanDerWaalsContact C-N 3.33Å; R124-Y126 PolarHBondContact O-N 3.25Å; Y126-L128 VanDerWaalsContact C-N 3.29Å; Y126-L128 PolarHBondContact O-N 2.96Å; Y126-L129 WeakPolarHBondContact O-CB 3.49Å; Y126-L129 PolarHBondContact O-N 3.43Å; Y126-L129 VanDerWaalsContact O-N 3.07Å; Y126-R130 PolarHBondContact O-N 3.17Å; Y126-R130 PolarHBondContact OH-NE 2.84Å; Y126-R130 PolarHBondContact OH-NH1 2.9Å; Y126-R130 PolarHBondContact OH-NH2 3.31Å; Y126-V147 HydrophobicContact CD1-CG2 4.02Å; Y126-V147 HydrophobicContact CE1-CG1 4.21Å; Y126-V147 HydrophobicContact CE1-CG2 4.35Å |
| 127 | L | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 178.2 | -67.2 | 167.4 | 0 | 0 | 0 | 111.1 | L123 R124 L129 R130 S131 I132 T134 L143 L146 V147 | L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.25Å; R124-L127 PolarHBondContact O-N 3.04Å; L127-L129 PolarHBondContact O-N 3.36Å; L127-R130 CarbonylContact O-C 3.48Å; L127-R130 PolarHBondContact O-N 3.12Å; L127-S131 PolarHBondContact O-N 2.71Å; L127-I132 HydrophobicContact CB-CB 4.28Å; L127-I132 HydrophobicContact CD2-CB 4.35Å; L127-I132 HydrophobicContact CD2-CD1 3.66Å; L127-I132 HydrophobicContact CD2-CG2 4.43Å; L127-I132 WeakPolarHBondContact O-CB 3.41Å; L127-I132 PolarHBondContact O-N 3.03Å; L127-T134 HydrophobicContact CB-CG2 3.73Å; L127-T134 HydrophobicContact CD1-CG2 3.61Å; L127-T134 HydrophobicContact CG-CG2 4.3Å; L127-L143 HydrophobicContact CD1-CB 4.21Å; L127-L143 HydrophobicContact CD1-CD2 3.76Å; L127-L146 HydrophobicContact CD1-CB 4.18Å; L127-L146 HydrophobicContact CD1-CD2 3.78Å; L127-L146 HydrophobicContact CD2-CB 4.09Å; L127-L146 HydrophobicContact CD2-CD2 3.87Å; L127-L146 HydrophobicContact CD2-CG 4.18Å; L127-L146 HydrophobicContact CG-CD2 4.29Å; L127-V147 HydrophobicContact CD1-CG2 4.18Å; L127-V147 HydrophobicContact CD2-CB 4.48Å; L127-V147 HydrophobicContact CD2-CG2 3.6Å; L127-V147 HydrophobicContact CG-CG2 3.87Å |
| 128 | L | 91.9 | Very high | 91 | Very high | 88 Ų | 88 | 62.8 Ų | 62.8 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 175.1 | -176 | 67.2 | 0 | 0 | 0 | 113.1 | R124 Q125 Y126 R130 S131 | R124-L128 VanDerWaalsContact O-CB 3.28Å; R124-L128 WeakPolarHBondContact O-CB 3.34Å; R124-L128 PolarHBondContact O-N 3.35Å; Q125-L128 PolarHBondContact O-N 3.05Å; Y126-L128 VanDerWaalsContact C-N 3.29Å; Y126-L128 PolarHBondContact O-N 2.96Å; L128-R130 PolarHBondContact O-N 3.28Å; L128-S131 PolarHBondContact O-N 3.2Å; L128-S131 VanDerWaalsContact O-N 3.15Å |
| 129 | L | 91.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65 | -30.8 | 176.5 | -76 | 173.4 | 0 | 0 | 0 | 112.1 | R63 C81 K83 F85 T101 Q125 Y126 L127 S131 | R63-L129 HydrophobicContact CB-CD2 4.36Å; R63-L129 HydrophobicContact CG-CD2 3.37Å; C81-L129 HydrophobicContact CB-CB 3.89Å; K83-L129 HydrophobicContact CB-CD2 4.47Å; K83-L129 WeakPolarHBondContact CE-O 3.17Å; K83-L129 HydrophobicContact CG-CD2 4.15Å; F85-L129 HydrophobicContact CE1-CD2 4.36Å; F85-L129 HydrophobicContact CZ-CD1 4.24Å; F85-L129 HydrophobicContact CZ-CD2 3.8Å; T101-L129 HydrophobicContact CG2-CD1 4.04Å; Q125-L129 VanDerWaalsContact O-CG 3.27Å; Q125-L129 WeakPolarHBondContact O-CG 3.04Å; Q125-L129 PolarHBondContact O-N 3.48Å; Y126-L129 WeakPolarHBondContact O-CB 3.49Å; Y126-L129 PolarHBondContact O-N 3.43Å; Y126-L129 VanDerWaalsContact O-N 3.07Å; L127-L129 PolarHBondContact O-N 3.36Å; L129-S131 VanDerWaalsContact C-N 3.33Å |
| 130 | R | 88.1 | Confident | 90.8 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 11% | 0.109 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 10.3 | 174.3 | -71.5 | -177.1 | 164.9 | -160.3 | -10.3 | 113.9 | Y126 L127 L128 I132 H150 E154 | Y126-R130 PolarHBondContact O-N 3.17Å; Y126-R130 PolarHBondContact OH-NE 2.84Å; Y126-R130 PolarHBondContact OH-NH1 2.9Å; Y126-R130 PolarHBondContact OH-NH2 3.31Å; L127-R130 CarbonylContact O-C 3.48Å; L127-R130 PolarHBondContact O-N 3.12Å; L128-R130 PolarHBondContact O-N 3.28Å; R130-I132 HydrophobicContact CB-CD1 3.79Å; R130-I132 HydrophobicContact CB-CG1 3.96Å; R130-I132 PolarHBondContact O-N 3.32Å; R130-H150 PolarHBondContact NH1-CD2 3.35Å; R130-E154 VanDerWaalsContact CZ-CD 3.44Å; R130-E154 IonicContact CZ-OE1 3.28Å; R130-E154 IonicContact CZ-OE2 2.98Å; R130-E154 IonicContact NE-OE1 3.74Å; R130-E154 VanDerWaalsContact NH1-CD 3.26Å; R130-E154 IonicContact NH1-OE1 2.87Å; R130-E154 PolarHBondContact NH1-OE1 3.28Å; R130-E154 IonicContact NH1-OE2 3.77Å; R130-E154 PolarHBondContact NH1-OE2 3.49Å; R130-E154 IonicContact NH2-OE1 2.72Å; R130-E154 PolarHBondContact NH2-OE1 3.33Å; R130-E154 IonicContact NH2-OE2 2.68Å; R130-E154 PolarHBondContact NH2-OE2 3.08Å |
| 131 | S | 87.9 | Confident | 90.6 | Very high | 97 Ų | 97 | 68 Ų | 68 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 24.1 | 178.3 | 3.4 | 0 | 0 | 0 | 0 | 114.1 | L127 L128 L129 | L127-S131 PolarHBondContact O-N 2.71Å; L128-S131 PolarHBondContact O-N 3.2Å; L128-S131 VanDerWaalsContact O-N 3.15Å; L129-S131 VanDerWaalsContact C-N 3.33Å |
| 132 | I | 89 | Confident | 90.6 | Very high | 32 Ų | 32 | 62 Ų | 62 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | trans | -92.7 | 126.2 | 179.9 | -49.1 | 163.8 | 0 | 0 | 0 | 108.7 | L127 R130 L146 H150 | L127-I132 HydrophobicContact CB-CB 4.28Å; L127-I132 HydrophobicContact CD2-CB 4.35Å; L127-I132 HydrophobicContact CD2-CD1 3.66Å; L127-I132 HydrophobicContact CD2-CG2 4.43Å; L127-I132 WeakPolarHBondContact O-CB 3.41Å; L127-I132 PolarHBondContact O-N 3.03Å; R130-I132 HydrophobicContact CB-CD1 3.79Å; R130-I132 HydrophobicContact CB-CG1 3.96Å; R130-I132 PolarHBondContact O-N 3.32Å; I132-L146 HydrophobicContact CB-CD2 4.44Å; I132-L146 HydrophobicContact CG2-CD2 3.37Å; I132-L146 HydrophobicContact CG2-CG 3.9Å; I132-H150 HydrophobicContact CD1-CB 3.81Å; I132-H150 WeakPolarHBondContact CD1-CD2 3.1Å; I132-H150 VanDerWaalsContact CD1-CG 3.43Å | ||
| 133 | S | 86.6 | Confident | 90.5 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 51% | 0.51 | 31% | 0.307 | S | S | . | . | trans | -70.2 | 142.6 | 177.3 | -167 | 0 | 0 | 0 | 0 | 111.1 | D135 L146 | S133-D135 WeakPolarHBondContact CB-OD1 3.45Å; S133-D135 PolarHBondContact OG-OD1 2.92Å; S133-L146 WeakPolarHBondContact O-CD2 3.38Å | ||
| 134 | T | 90.6 | Very high | 90.4 | Very high | 29 Ų | 29 | 60.9 Ų | 60.9 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | trans | -122.9 | 20.7 | 178.6 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | R124 L127 T136 C137 L143 L146 | R124-T134 VanDerWaalsContact NH1-CB 3.32Å; R124-T134 PolarHBondContact NH1-O 3.4Å; R124-T134 PolarHBondContact NH1-OG1 2.74Å; L127-T134 HydrophobicContact CB-CG2 3.73Å; L127-T134 HydrophobicContact CD1-CG2 3.61Å; L127-T134 HydrophobicContact CG-CG2 4.3Å; T134-T136 VanDerWaalsContact C-N 3.32Å; T134-C137 PolarHBondContact O-N 3.1Å; T134-L143 HydrophobicContact CG2-CD2 3.8Å; T134-L146 HydrophobicContact CG2-CD2 4.23Å | ||
| 135 | D | 85.8 | Confident | 90.3 | Very high | 128 Ų | 128 | 59.7 Ų | 59.7 | 68% | 0.684 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -69.6 | -28.7 | -179.6 | 60.8 | -36.4 | 0 | 0 | 0 | 112.7 | S133 | S133-D135 WeakPolarHBondContact CB-OD1 3.45Å; S133-D135 PolarHBondContact OG-OD1 2.92Å |
| 136 | T | 81.3 | Confident | 90.2 | Very high | 102 Ų | 102 | 59 Ų | 59 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -83.9 | -12.7 | 176.4 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | T134 R138 | T134-T136 VanDerWaalsContact C-N 3.32Å; T136-R138 PolarHBondContact O-N 3.22Å |
| 137 | C | 88.8 | Confident | 90.1 | Very high | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | trans | -82.6 | 114 | -174.6 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | R124 T134 D142 L143 | R124-C137 PolarHBondContact NH2-O 2.85Å; T134-C137 PolarHBondContact O-N 3.1Å; C137-D142 HydrophobicContact CB-CB 3.81Å; C137-L143 HydrophobicContact CB-CD2 3.6Å; C137-L143 HydrophobicContact CB-CG 3.99Å | ||
| 138 | R | 91.6 | Very high | 89.9 | Confident | 235 Ų | 235 | 61.3 Ų | 61.3 | 89% | 0.887 | 32% | 0.317 | S | S | * | . | trans | -98.9 | -32.6 | 178.9 | -71.1 | -178.2 | 148.6 | 161.5 | -4.2 | 112.4 | T136 D142 | T136-R138 PolarHBondContact O-N 3.22Å; R138-D142 PolarHBondContact N-OD2 3.34Å | ||
| 139 | E | 92.6 | Very high | 89.6 | Confident | 123 Ų | 123 | 60.5 Ų | 60.5 | 58% | 0.575 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -113.5 | 166.5 | -178.5 | -59.8 | -171.1 | 133 | 0 | 0 | 111.4 | E141 D142 | E139-E141 VanDerWaalsContact C-N 3.27Å; E139-D142 PolarHBondContact N-OD2 3.14Å |
| 140 | K | 91.9 | Very high | 89.1 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.9 | -34 | 177.7 | -179.5 | 177.1 | -176.3 | -177.5 | 0 | 110.3 | M116 L118 V120 L123 D142 L143 V144 | M116-K140 HydrophobicContact CE-CB 4.44Å; M116-K140 HydrophobicContact CE-CD 3.97Å; M116-K140 HydrophobicContact CE-CG 4.12Å; M116-K140 VanDerWaalsContact O-CE 3.29Å; M116-K140 WeakPolarHBondContact O-CE 3.34Å; M116-K140 PolarHBondContact O-NZ 3.34Å; M116-K140 HydrophobicContact SD-CG 4.36Å; L118-K140 WeakPolarHBondContact O-CE 3.12Å; L118-K140 PolarHBondContact O-NZ 3.08Å; V120-K140 HydrophobicContact CG2-CB 4.18Å; V120-K140 HydrophobicContact CG2-CD 3.96Å; V120-K140 HydrophobicContact CG2-CG 3.91Å; L123-K140 HydrophobicContact CD1-CG 4.16Å; K140-D142 VanDerWaalsContact C-N 3.32Å; K140-L143 WeakPolarHBondContact O-CB 3.39Å; K140-L143 PolarHBondContact O-N 2.69Å; K140-L143 VanDerWaalsContact O-N 3.17Å; K140-V144 PolarHBondContact O-N 3.33Å; K140-V144 VanDerWaalsContact O-N 3.16Å |
| 141 | E | 91 | Very high | 88.5 | Confident | 77 Ų | 77 | 67 Ų | 67 | 36% | 0.36 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 175.4 | -69.1 | 68.7 | -155.6 | 0 | 0 | 110.3 | M116 E139 L143 V144 D145 | M116-E141 HydrophobicContact CE-CG 4.07Å; M116-E141 WeakPolarHBondContact CE-OE1 3.49Å; M116-E141 HydrophobicContact SD-CG 4.12Å; E139-E141 VanDerWaalsContact C-N 3.27Å; E141-L143 PolarHBondContact O-N 3.18Å; E141-V144 CarbonylContact O-C 3.11Å; E141-V144 WeakPolarHBondContact O-CA 3.34Å; E141-V144 WeakPolarHBondContact O-CB 3.37Å; E141-V144 PolarHBondContact O-N 3.26Å; E141-D145 PolarHBondContact O-N 3.34Å |
| 142 | D | 92.5 | Very high | 87.2 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.1 | -39.9 | 175.8 | -60 | -25.5 | 0 | 0 | 0 | 112.4 | C137 R138 E139 K140 L146 | C137-D142 HydrophobicContact CB-CB 3.81Å; R138-D142 PolarHBondContact N-OD2 3.34Å; E139-D142 PolarHBondContact N-OD2 3.14Å; K140-D142 VanDerWaalsContact C-N 3.32Å; D142-L146 WeakPolarHBondContact O-CB 3.25Å; D142-L146 PolarHBondContact O-N 3.44Å |
| 143 | L | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.2 | -36.9 | 178.6 | -61.8 | 167.8 | 0 | 0 | 0 | 111.7 | V120 L123 R124 L127 T134 C137 K140 E141 V147 | V120-L143 HydrophobicContact CG1-CD1 3.7Å; L123-L143 HydrophobicContact CB-CB 4.22Å; L123-L143 HydrophobicContact CD1-CB 4.31Å; R124-L143 HydrophobicContact CG-CD1 3.73Å; R124-L143 HydrophobicContact CG-CD2 3.77Å; R124-L143 HydrophobicContact CG-CG 4.43Å; L127-L143 HydrophobicContact CD1-CB 4.21Å; L127-L143 HydrophobicContact CD1-CD2 3.76Å; T134-L143 HydrophobicContact CG2-CD2 3.8Å; C137-L143 HydrophobicContact CB-CD2 3.6Å; C137-L143 HydrophobicContact CB-CG 3.99Å; K140-L143 WeakPolarHBondContact O-CB 3.39Å; K140-L143 PolarHBondContact O-N 2.69Å; K140-L143 VanDerWaalsContact O-N 3.17Å; E141-L143 PolarHBondContact O-N 3.18Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.21Å; L143-V147 PolarHBondContact O-N 3.33Å; L143-V147 VanDerWaalsContact O-N 3.1Å |
| 144 | V | 93.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | R112 L115 M116 L123 K140 E141 L146 V147 L148 | R112-V144 HydrophobicContact CG-CG1 3.98Å; L115-V144 HydrophobicContact CB-CB 4.44Å; L115-V144 HydrophobicContact CB-CG1 3.73Å; L115-V144 HydrophobicContact CB-CG2 3.94Å; L115-V144 HydrophobicContact CD1-CG1 4Å; M116-V144 HydrophobicContact CG-CG1 4.45Å; M116-V144 HydrophobicContact CG-CG2 4.23Å; M116-V144 HydrophobicContact SD-CB 4.04Å; M116-V144 HydrophobicContact SD-CG1 4.42Å; M116-V144 HydrophobicContact SD-CG2 3.51Å; M116-V144 VanDerWaalsContact SD-CG2 3.51Å; L123-V144 HydrophobicContact CD1-CG2 3.7Å; L123-V144 HydrophobicContact CD2-CG2 4.39Å; K140-V144 PolarHBondContact O-N 3.33Å; K140-V144 VanDerWaalsContact O-N 3.16Å; E141-V144 CarbonylContact O-C 3.11Å; E141-V144 WeakPolarHBondContact O-CA 3.34Å; E141-V144 WeakPolarHBondContact O-CB 3.37Å; E141-V144 PolarHBondContact O-N 3.26Å; V144-L146 VanDerWaalsContact C-N 3.35Å; V144-V147 PolarHBondContact O-N 3.01Å; V144-L148 HydrophobicContact CG1-CD1 4.14Å; V144-L148 WeakPolarHBondContact O-CG 3.3Å; V144-L148 PolarHBondContact O-N 2.57Å |
| 145 | D | 90.3 | Very high | 82.3 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 32% | 0.316 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 174.1 | -77.2 | -44.1 | 0 | 0 | 0 | 111.4 | R112 E141 V147 L148 C149 | R112-D145 IonicContact CZ-OD1 3.99Å; R112-D145 IonicContact CZ-OD2 2.79Å; R112-D145 IonicContact NH1-OD1 3.59Å; R112-D145 PolarHBondContact NH1-OD1 3.28Å; R112-D145 IonicContact NH1-OD2 3.66Å; R112-D145 IonicContact NH2-OD1 3.37Å; R112-D145 PolarHBondContact NH2-OD1 2.81Å; R112-D145 IonicContact NH2-OD2 3.18Å; R112-D145 PolarHBondContact NH2-OD2 3.33Å; E141-D145 PolarHBondContact O-N 3.34Å; D145-V147 VanDerWaalsContact C-N 3.31Å; D145-V147 PolarHBondContact O-N 2.92Å; D145-L148 PolarHBondContact O-N 3.4Å; D145-L148 VanDerWaalsContact O-N 3.15Å; D145-C149 WeakPolarHBondContact O-CB 3.02Å; D145-C149 PolarHBondContact O-N 3.31Å; D145-C149 PolarHBondContact O-SG 2.96Å; D145-C149 VanDerWaalsContact O-SG 3.41Å |
| 146 | L | 90.9 | Very high | 80.4 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 175.8 | -147.3 | 78.8 | 0 | 0 | 0 | 112.8 | L127 I132 S133 T134 D142 V144 H150 | L127-L146 HydrophobicContact CD1-CB 4.18Å; L127-L146 HydrophobicContact CD1-CD2 3.78Å; L127-L146 HydrophobicContact CD2-CB 4.09Å; L127-L146 HydrophobicContact CD2-CD2 3.87Å; L127-L146 HydrophobicContact CD2-CG 4.18Å; L127-L146 HydrophobicContact CG-CD2 4.29Å; I132-L146 HydrophobicContact CB-CD2 4.44Å; I132-L146 HydrophobicContact CG2-CD2 3.37Å; I132-L146 HydrophobicContact CG2-CG 3.9Å; S133-L146 WeakPolarHBondContact O-CD2 3.38Å; T134-L146 HydrophobicContact CG2-CD2 4.23Å; D142-L146 WeakPolarHBondContact O-CB 3.25Å; D142-L146 PolarHBondContact O-N 3.44Å; V144-L146 VanDerWaalsContact C-N 3.35Å; L146-H150 WeakPolarHBondContact O-CB 3.37Å; L146-H150 PolarHBondContact O-N 3.27Å; L146-H150 VanDerWaalsContact O-N 3.14Å |
| 147 | V | 91.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.4 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | L105 F110 L115 L123 Y126 L127 L143 V144 D145 R151 | L105-V147 HydrophobicContact CD2-CG1 3.94Å; L105-V147 HydrophobicContact CD2-CG2 4.26Å; F110-V147 HydrophobicContact CD1-CG1 3.92Å; F110-V147 HydrophobicContact CE1-CG1 4.26Å; L115-V147 HydrophobicContact CD1-CG1 3.89Å; L115-V147 HydrophobicContact CD2-CG1 4.13Å; L123-V147 HydrophobicContact CD2-CG2 4.42Å; Y126-V147 HydrophobicContact CD1-CG2 4.02Å; Y126-V147 HydrophobicContact CE1-CG1 4.21Å; Y126-V147 HydrophobicContact CE1-CG2 4.35Å; L127-V147 HydrophobicContact CD1-CG2 4.18Å; L127-V147 HydrophobicContact CD2-CB 4.48Å; L127-V147 HydrophobicContact CD2-CG2 3.6Å; L127-V147 HydrophobicContact CG-CG2 3.87Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.21Å; L143-V147 PolarHBondContact O-N 3.33Å; L143-V147 VanDerWaalsContact O-N 3.1Å; V144-V147 PolarHBondContact O-N 3.01Å; D145-V147 VanDerWaalsContact C-N 3.31Å; D145-V147 PolarHBondContact O-N 2.92Å; V147-R151 PolarHBondContact O-N 3.08Å |
| 148 | L | 89 | Confident | 76.2 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.4 | -45.9 | -179.6 | -68.3 | 173.8 | 0 | 0 | 0 | 111.8 | F110 R112 L115 V144 D145 H150 R151 A152 | F110-L148 HydrophobicContact CB-CD2 4.3Å; F110-L148 WeakPolarHBondContact O-CD2 3.49Å; R112-L148 HydrophobicContact CB-CD1 4.13Å; R112-L148 HydrophobicContact CG-CD1 4.34Å; L115-L148 HydrophobicContact CD1-CD2 3.71Å; L115-L148 HydrophobicContact CD1-CG 4.02Å; V144-L148 HydrophobicContact CG1-CD1 4.14Å; V144-L148 WeakPolarHBondContact O-CG 3.3Å; V144-L148 PolarHBondContact O-N 2.57Å; D145-L148 PolarHBondContact O-N 3.4Å; D145-L148 VanDerWaalsContact O-N 3.15Å; L148-H150 VanDerWaalsContact C-N 3.35Å; L148-H150 PolarHBondContact O-N 3.39Å; L148-R151 PolarHBondContact O-N 3.19Å; L148-A152 PolarHBondContact O-N 2.8Å |
| 149 | C | 86.1 | Confident | 73.9 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 177.1 | -72.9 | 0 | 0 | 0 | 0 | 111.2 | D145 R151 A152 F153 | D145-C149 WeakPolarHBondContact O-CB 3.02Å; D145-C149 PolarHBondContact O-N 3.31Å; D145-C149 PolarHBondContact O-SG 2.96Å; D145-C149 VanDerWaalsContact O-SG 3.41Å; C149-R151 PolarHBondContact O-N 3.1Å; C149-A152 WeakPolarHBondContact O-CB 3.5Å; C149-A152 PolarHBondContact O-N 3.49Å; C149-A152 VanDerWaalsContact O-N 3.11Å; C149-F153 WeakPolarHBondContact O-CD2 3.47Å; C149-F153 PolarHBondContact O-N 3.21Å |
| 150 | H | 80.7 | Confident | 71.5 | Confident | 62 Ų | 62 | 75.8 Ų | 75.8 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.7 | -15.3 | -177.4 | -170.9 | 65.2 | 0 | 0 | 0 | 114.3 | R130 I132 L146 L148 | R130-H150 PolarHBondContact NH1-CD2 3.35Å; I132-H150 HydrophobicContact CD1-CB 3.81Å; I132-H150 WeakPolarHBondContact CD1-CD2 3.1Å; I132-H150 VanDerWaalsContact CD1-CG 3.43Å; L146-H150 WeakPolarHBondContact O-CB 3.37Å; L146-H150 PolarHBondContact O-N 3.27Å; L146-H150 VanDerWaalsContact O-N 3.14Å; L148-H150 VanDerWaalsContact C-N 3.35Å; L148-H150 PolarHBondContact O-N 3.39Å |
| 151 | R | 76.5 | Confident | 69.2 | Low | 103 Ų | 103 | 81.1 Ų | 81.1 | 39% | 0.389 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -78.5 | -37.6 | 167.9 | -177.6 | -179.4 | -179.3 | -146.6 | 0.4 | 111.8 | A109 F110 V147 L148 C149 F153 E154 V155 | A109-R151 PolarHBondContact O-NH1 3.1Å; F110-R151 VanDerWaalsContact CG-CD 3.45Å; V147-R151 PolarHBondContact O-N 3.08Å; L148-R151 PolarHBondContact O-N 3.19Å; C149-R151 PolarHBondContact O-N 3.1Å; R151-F153 PolarHBondContact O-N 3.02Å; R151-E154 PolarHBondContact O-N 2.96Å; R151-V155 PolarHBondContact O-N 2.87Å |
| 152 | A | 60.3 | Low | 66.7 | Low | 50 Ų | 50 | 84.2 Ų | 84.2 | 41% | 0.413 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.9 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L148 C149 E154 V155 E156 | L148-A152 PolarHBondContact O-N 2.8Å; C149-A152 WeakPolarHBondContact O-CB 3.5Å; C149-A152 PolarHBondContact O-N 3.49Å; C149-A152 VanDerWaalsContact O-N 3.11Å; A152-E154 PolarHBondContact O-N 3.45Å; A152-V155 PolarHBondContact O-N 3.19Å; A152-E156 PolarHBondContact O-N 2.85Å |
| 153 | F | 53.9 | Low | 64.5 | Low | 126 Ų | 126 | 90.1 Ų | 90.1 | 55% | 0.553 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.7 | -28.5 | 174.7 | -69 | -73.3 | 0 | 0 | 0 | 114.6 | C149 R151 V155 | C149-F153 WeakPolarHBondContact O-CD2 3.47Å; C149-F153 PolarHBondContact O-N 3.21Å; R151-F153 PolarHBondContact O-N 3.02Å; F153-V155 VanDerWaalsContact C-N 3.27Å; F153-V155 PolarHBondContact O-N 3.41Å |
| 154 | E | 56.3 | Low | 62.1 | Low | 73 Ų | 73 | 97.3 Ų | 97.3 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76.7 | -14 | 177.9 | -71.8 | 178.6 | 150.9 | 0 | 0 | 112.8 | R130 R151 A152 | R130-E154 VanDerWaalsContact CZ-CD 3.44Å; R130-E154 IonicContact CZ-OE1 3.28Å; R130-E154 IonicContact CZ-OE2 2.98Å; R130-E154 IonicContact NE-OE1 3.74Å; R130-E154 VanDerWaalsContact NH1-CD 3.26Å; R130-E154 IonicContact NH1-OE1 2.87Å; R130-E154 PolarHBondContact NH1-OE1 3.28Å; R130-E154 IonicContact NH1-OE2 3.77Å; R130-E154 PolarHBondContact NH1-OE2 3.49Å; R130-E154 IonicContact NH2-OE1 2.72Å; R130-E154 PolarHBondContact NH2-OE1 3.33Å; R130-E154 IonicContact NH2-OE2 2.68Å; R130-E154 PolarHBondContact NH2-OE2 3.08Å; R151-E154 PolarHBondContact O-N 2.96Å; A152-E154 PolarHBondContact O-N 3.45Å |
| 155 | V | 52.5 | Low | 60.1 | Low | 65 Ų | 65 | 106.3 Ų | 106.3 | 39% | 0.394 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -95 | -31.3 | 179.8 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | R151 A152 F153 D157 E158 | R151-V155 PolarHBondContact O-N 2.87Å; A152-V155 PolarHBondContact O-N 3.19Å; F153-V155 VanDerWaalsContact C-N 3.27Å; F153-V155 PolarHBondContact O-N 3.41Å; V155-D157 VanDerWaalsContact C-N 3.28Å; V155-D157 PolarHBondContact O-N 3.38Å; V155-E158 PolarHBondContact O-N 3.37Å |
| 156 | E | 44.8 | Very low | 58.2 | Low | 124 Ų | 124 | 112.6 Ų | 112.6 | 58% | 0.579 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.8 | -23.5 | 177.5 | -68.9 | 173.6 | -178.9 | 0 | 0 | 112.7 | A152 | A152-E156 PolarHBondContact O-N 2.85Å |
| 157 | D | 39.7 | Very low | 56.3 | Low | 125 Ų | 125 | 119.3 Ų | 119.3 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -14.1 | 176.6 | -69.8 | -29.5 | 0 | 0 | 0 | 113.6 | V155 | V155-D157 VanDerWaalsContact C-N 3.28Å; V155-D157 PolarHBondContact O-N 3.38Å |
| 158 | E | 43.9 | Very low | 54 | Low | 144 Ų | 144 | 127.1 Ų | 127.1 | 67% | 0.673 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -15.2 | -179.5 | -70.9 | -179 | 173.2 | 0 | 0 | 112.9 | V155 | V155-E158 PolarHBondContact O-N 3.37Š|
| 159 | E | 42 | Very low | 52.1 | Low | 141 Ų | 141 | 132.5 Ų | 132.5 | 66% | 0.659 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -91.3 | -10.2 | -176.9 | -66.8 | -177.5 | -178.1 | 0 | 0 | 113.8 | ||
| 160 | E | 42 | Very low | 50.1 | Low | 167 Ų | 167 | 136.6 Ų | 136.6 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -97.3 | -0.8 | 178.8 | -65.1 | -145.9 | 178.4 | 0 | 0 | 114.6 | ||
| 161 | E | 44.2 | Very low | 48.6 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -95.6 | -6.2 | 176.8 | -69.7 | -172.9 | 170.8 | 0 | 0 | 113.8 | ||
| 162 | D | 39.1 | Very low | 47.2 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -100.1 | -0.5 | -173.9 | -75.8 | -29.8 | 0 | 0 | 0 | 114.8 | ||
| 163 | E | 45.3 | Very low | 46.6 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -100.9 | 0.6 | -175.5 | -70.8 | -167.8 | 168.1 | 0 | 0 | 115.5 | ||
| 164 | D | 42.4 | Very low | 46.1 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -103.7 | 5.9 | -170.5 | -76.4 | -21.4 | 0 | 0 | 0 | 116.4 | ||
| 165 | E | 51.3 | Low | 45.5 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -111.9 | 3.5 | -170.9 | -85.8 | -165.8 | 179.4 | 0 | 0 | 119 | ||
| 166 | E | 49.3 | Very low | 44.8 | Very low | 190 Ų | 190 | 155.2 Ų | 155.2 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -133.7 | 82.1 | 176.8 | -61.8 | -152.3 | -162.2 | 0 | 0 | 114.2 | ||||
| 167 | E | 50.5 | Low | 44.8 | Very low | 186 Ų | 186 | 156.5 Ų | 156.5 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -166.7 | 98.9 | 148.9 | -107.3 | 173.5 | -147.6 | 0 | 0 | 108.1 | ||||
| 168 | D | 43.9 | Very low | 44.7 | Very low | 165 Ų | 165 | 158 Ų | 158 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 176.7 | 73.8 | 148.8 | -85.7 | -22.2 | 0 | 0 | 0 | 109.2 | ||||
| 169 | D | 48.6 | Very low | 44.5 | Very low | 160 Ų | 160 | 156.5 Ų | 156.5 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -134 | 99.6 | 156.7 | -95.8 | -32.9 | 0 | 0 | 0 | 106.2 | ||||
| 170 | D | 45 | Very low | 44.1 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -160.7 | 102.2 | 152.2 | -90.3 | -32.7 | 0 | 0 | 0 | 108.5 | ||||
| 171 | D | 48.8 | Very low | 43.7 | Very low | 142 Ų | 142 | 156.9 Ų | 156.9 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 29.4 | 125.7 | 143.6 | -63.3 | -34.4 | 0 | 0 | 0 | 120.9 | ||||
| 172 | D | 47 | Very low | 43.8 | Very low | 175 Ų | 175 | 154.3 Ų | 154.3 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | -151.4 | 131 | 125.4 | -99.8 | -34.4 | 0 | 0 | 0 | 111 | |||||
| 173 | D | 48.2 | Very low | 43.6 | Very low | 146 Ų | 146 | 154.9 Ų | 154.9 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -74.8 | 173.3 | -179.1 | -93 | -50.7 | 0 | 0 | 0 | 114 | ||||
| 174 | D | 43.6 | Very low | 43.1 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | 95.1 | 94.7 | 156.6 | -70.1 | -34.1 | 0 | 0 | 0 | 120.3 | ||||
| 175 | D | 43.1 | Very low | 42.7 | Very low | 137 Ų | 137 | 149.5 Ų | 149.5 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | 72 | 136.6 | 112.5 | -94.1 | -26.6 | 0 | 0 | 0 | 124 | |||||
| 176 | D | 38.8 | Very low | 41.8 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 83.4 | 104.7 | 150.9 | -73.6 | -40.4 | 0 | 0 | 0 | 123 | ||||
| 177 | E | 43.1 | Very low | 41.1 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | 67.6 | 121.2 | 120.7 | -69.1 | -99.6 | 137.6 | 0 | 0 | 122.9 | |||||
| 178 | E | 39.6 | Very low | 40.5 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 64.8 | 136.4 | 139.9 | -70.5 | -158.2 | 157.5 | 0 | 0 | 118.9 | ||||
| 179 | V | 38.9 | Very low | 40 | Very low | 111 Ų | 111 | 139 Ų | 139 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | cis | -170 | 150.2 | 18.5 | -110.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 180 | E | 34.2 | Very low | 39.2 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 59.4 | 119.7 | 146.6 | -51.3 | -114.6 | 130.1 | 0 | 0 | 120.3 | ||||
| 181 | D | 32.5 | Very low | 38.6 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 167.7 | 130 | 93.2 | -151.1 | -4.2 | 0 | 0 | 0 | 110.5 | |||||
| 182 | P | 47.4 | Very low | 37.6 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | trans | -120.3 | 112.6 | 161.5 | 33.5 | -18.3 | 0 | 0 | 0 | 109.9 | ||||
| 183 | N | 33.8 | Very low | 36.8 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | -140.6 | 132.9 | 151.7 | -109.8 | -27.9 | 0 | 0 | 0 | 115.1 | ||||
| 184 | T | 35.1 | Very low | 36 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -77.6 | 157.2 | -170.1 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 185 | A | 33.4 | Very low | 35.4 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 86.4 | 117.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 186 | S | 34.1 | Very low | 34.8 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | 118.7 | 136.2 | 105.3 | -113.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 187 | L | 33.8 | Very low | 34.5 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | 88.5 | 98.4 | 144 | -63.5 | 163.4 | 0 | 0 | 0 | 119.3 | ||||
| 188 | L | 36.7 | Very low | 34.1 | Very low | 159 Ų | 159 | 134 Ų | 134 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | 15.4 | 112.7 | 114.9 | -73.4 | 170.8 | 0 | 0 | 0 | 116.6 | |||||
| 189 | S | 33.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -177.8 | 109 | 138.1 | 29.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 190 | H | 33.2 | Very low | 33.6 | Very low | 167 Ų | 167 | 133 Ų | 133 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | 90.4 | 127.4 | 91.7 | -87.9 | 36.4 | 0 | 0 | 0 | 114.4 | |||||
| 191 | I | 32.9 | Very low | 34.6 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 90.6 | 99.4 | 142.7 | -60 | 159 | 0 | 0 | 0 | 117.5 | ||||
| 192 | H | 27.8 | Very low | 35.4 | Very low | 147 Ų | 147 | 129 Ų | 129 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | 47.4 | 109 | 115.8 | -100 | -118.3 | 0 | 0 | 0 | 120 | |||||
| 193 | R | 30.4 | Very low | 34.8 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | 72.1 | 145.4 | 109.5 | -148 | -177.9 | 76.5 | -154.9 | 2.8 | 119.1 | |||||
| 194 | T | 29.5 | Very low | 34.9 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 64% | 0.638 | 74% | 0.735 | S | S | * | * | trans | 98.6 | 133.2 | 155.2 | 71.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 195 | L | 32.8 | Very low | 34.9 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | cis | -165.4 | 164.7 | 24.1 | -104.6 | 134.8 | 0 | 0 | 0 | 112 | ||||
| 196 | T | 30.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | trans | 71.4 | 141.9 | 142 | 53 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 197 | D | 32.1 | Very low | 34.9 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | cis | -169.9 | 152.9 | 12.2 | -124.8 | -23 | 0 | 0 | 0 | 105.6 | ||||
| 198 | S | 34.1 | Very low | 34.8 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | 175.9 | 137.9 | 61.6 | -99.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 199 | I | 36.3 | Very low | 34.6 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | 68.8 | 129.5 | 128.9 | -51.1 | 167.1 | 0 | 0 | 0 | 120.8 | |||||
| 200 | A | 32.3 | Very low | 34.5 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | trans | -97.7 | -153.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 201 | P | 56 | Low | 34.5 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | -124.4 | -157.9 | -78.9 | 41.2 | -22.4 | 0 | 0 | 0 | 111.3 | |||||
| 202 | P | 48.8 | Very low | 34.5 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | -151.3 | 159.8 | 66 | 37.7 | -14.9 | 0 | 0 | 0 | 118.8 | |||||
| 203 | A | 33.4 | Very low | 34.7 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 56.8 | 139.1 | 134.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 204 | S | 37.9 | Very low | 34.5 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -156.7 | 128.1 | 21.6 | -63.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 205 | E | 33.7 | Very low | 34.4 | Very low | 166 Ų | 166 | 128 Ų | 128 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | 62.5 | 104.5 | 87.2 | -62.1 | -119.1 | 125.1 | 0 | 0 | 114.4 | |||||
| 206 | L | 33.3 | Very low | 34.1 | Very low | 144 Ų | 144 | 127 Ų | 127 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | 77.6 | 141.5 | 92.9 | -88.5 | 135 | 0 | 0 | 0 | 111.9 | |||||
| 207 | S | 33.8 | Very low | 34 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -173.2 | 171 | 26.1 | 41.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 208 | A | 33 | Very low | 33.8 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -64.2 | 161.5 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 209 | A | 31.1 | Very low | 33.6 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -171.6 | 143.3 | 131.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 210 | T | 31.8 | Very low | 33.2 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -56.5 | 157.2 | 170.9 | -22.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 211 | L | 33.2 | Very low | 33.4 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | 177.5 | 161.2 | 127.7 | -91.3 | 174.5 | 0 | 0 | 0 | 113 | |||||
| 212 | E | 33.1 | Very low | 32.2 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -76.3 | 159.2 | -158.8 | -66.3 | -110.3 | 118.9 | 0 | 0 | 118.8 | ||||
| 213 | E | 31.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 39.8 | 126.6 | 133.4 | -162.1 | 156.6 | 104.1 | 0 | 0 | 121.8 | ||||
| 214 | S | 26.9 | Very low | 31.1 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | 175.1 | 133.5 | 124.1 | -73.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 215 | L | 27.7 | Very low | 31 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -65 | 148.9 | 173.2 | -67.8 | 143 | 0 | 0 | 0 | 113.6 | ||||
| 216 | S | 26.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | 172.8 | 143.4 | 116.1 | 35.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 217 | R | 28.4 | Very low | 30.6 | Very low | 236 Ų | 236 | 140.6 Ų | 140.6 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -32 | 157.9 | 154.7 | -107.8 | 164.8 | 178.9 | -153.9 | -3.9 | 114.5 | ||||
| 218 | S | 27.9 | Very low | 30.5 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | cis | -176.1 | 160.8 | 35.6 | 18.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 219 | E | 28.9 | Very low | 30.6 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | 79.5 | 130.2 | 145.9 | -77.3 | 168 | 110.1 | 0 | 0 | 122.9 | ||||
| 220 | S | 28.7 | Very low | 30.7 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -69.1 | 168.9 | 178.4 | -36.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 221 | P | 36.5 | Very low | 30.9 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | -140.7 | 158.1 | 102.1 | 30.8 | -13.3 | 0 | 0 | 0 | 115.1 | |||||
| 222 | E | 30.6 | Very low | 31.2 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -66.3 | 144.5 | -179.8 | -57.2 | 168.8 | 103.3 | 0 | 0 | 113.1 | ||||
| 223 | T | 29.9 | Very low | 31.6 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | -166.8 | 105.2 | 129.7 | 48 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 224 | N | 29.1 | Very low | 32.6 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 35.9 | 126.7 | 134.2 | -86.3 | -17.7 | 0 | 0 | 0 | 123.4 | ||||
| 225 | Q | 35.3 | Very low | 34 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | 91.7 | 98.7 | 145.7 | -62.9 | 172.4 | 90.8 | 0 | 0 | 118 | ||||
| 226 | T | 28.5 | Very low | 35.9 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | 175.7 | 129.8 | 99.7 | -64.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 227 | S | 29.7 | Very low | 38.2 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | -50.4 | 136 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | Q229 | S227-Q229 PolarHBondContact OG-N 3.47Š| ||
| 228 | P | 31.8 | Very low | 40.5 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 75% | 0.747 | 65% | 0.65 | S | S | * | * | -117 | 123.9 | 108.7 | -0.9 | 19.3 | 0 | 0 | 0 | 108.9 | T230 | P228-T230 VanDerWaalsContact C-N 3.34Å; P228-T230 PolarHBondContact O-N 3.44Å | |||
| 229 | Q | 36 | Very low | 42.6 | Very low | 158 Ų | 158 | 113.5 Ų | 113.5 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | trans | -46.3 | 99.3 | 163.4 | -75.7 | 176.5 | -31.2 | 0 | 0 | 109.3 | S227 R231 | S227-Q229 PolarHBondContact OG-N 3.47Å; Q229-R231 PolarHBondContact O-N 2.83Å | ||
| 230 | T | 32.8 | Very low | 44.8 | Very low | 110 Ų | 110 | 110.1 Ų | 110.1 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | trans | -65.6 | 95.6 | 151.6 | 48.1 | 0 | 0 | 0 | 0 | 104.7 | P228 H232 | P228-T230 VanDerWaalsContact C-N 3.34Å; P228-T230 PolarHBondContact O-N 3.44Å; T230-H232 PolarHBondContact O-N 2.85Å | ||
| 231 | R | 36.4 | Very low | 47.2 | Very low | 223 Ų | 223 | 105.6 Ų | 105.6 | 84% | 0.842 | 60% | 0.604 | S | S | * | * | trans | -52.6 | 92.4 | 156.2 | -68.8 | -178.8 | 173.2 | -174.8 | -2.6 | 105.2 | Q229 G233 | Q229-R231 PolarHBondContact O-N 2.83Å; R231-G233 PolarHBondContact O-N 2.75Å | ||
| 232 | H | 38.8 | Very low | 48.9 | Very low | 172 Ų | 172 | 104.2 Ų | 104.2 | 80% | 0.796 | 60% | 0.597 | S | S | * | * | trans | -61.9 | 89.9 | 156.5 | -79.7 | -75.9 | 0 | 0 | 0 | 103.8 | T230 A234 | T230-H232 PolarHBondContact O-N 2.85Å; H232-A234 PolarHBondContact O-N 3.47Å | ||
| 233 | G | 41.7 | Very low | 50.9 | Low | 56 Ų | 56 | 97.4 Ų | 97.4 | 58% | 0.577 | 57% | 0.57 | S | S | * | * | trans | -52.7 | 136.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | R231 G235 | R231-G233 PolarHBondContact O-N 2.75Å; G233-G235 PolarHBondContact O-N 3.05Å | ||
| 234 | A | 52.2 | Low | 52.9 | Low | 105 Ų | 105 | 93.8 Ų | 93.8 | 87% | 0.868 | 55% | 0.547 | S | S | * | . | trans | -47 | 100 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | H232 | H232-A234 PolarHBondContact O-N 3.47Š| ||
| 235 | G | 57.3 | Low | 55.1 | Low | 16 Ų | 16 | 97 Ų | 97 | 17% | 0.165 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 153.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G233 S237 E257 R261 | G233-G235 PolarHBondContact O-N 3.05Å; G235-S237 PolarHBondContact O-N 3.39Å; G235-S237 VanDerWaalsContact O-N 3.14Å; G235-E257 VanDerWaalsContact CA-OE1 3.22Å; G235-E257 WeakPolarHBondContact CA-OE1 3.4Å; G235-R261 VanDerWaalsContact O-CZ 3.27Å; G235-R261 PolarHBondContact O-NH1 2.68Å |
| 236 | A | 65.8 | Low | 57.1 | Low | 17 Ų | 17 | 92.6 Ų | 92.6 | 14% | 0.14 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 118.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q254 I258 R261 | A236-Q254 HydrophobicContact CB-CB 4.22Å; A236-Q254 HydrophobicContact CB-CG 4.29Å; A236-I258 HydrophobicContact CB-CD1 3.99Å; A236-I258 HydrophobicContact CB-CG1 3.81Å; A236-I258 WeakPolarHBondContact O-CG1 3.47Å; A236-R261 VanDerWaalsContact N-NH1 3.13Å; A236-R261 PolarHBondContact O-NH1 2.87Å |
| 237 | S | 76.6 | Confident | 59.8 | Low | 35 Ų | 35 | 86.3 Ų | 86.3 | 25% | 0.245 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 155.8 | 171.6 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | G235 S239 D240 | G235-S237 PolarHBondContact O-N 3.39Å; G235-S237 VanDerWaalsContact O-N 3.14Å; S237-S239 PolarHBondContact O-N 3.31Å; S237-S239 PolarHBondContact OG-N 2.99Å; S237-D240 WeakPolarHBondContact CB-OD2 3.38Å; S237-D240 PolarHBondContact N-OD2 3.45Å; S237-D240 PolarHBondContact O-N 3.45Å; S237-D240 VanDerWaalsContact O-N 3.12Å |
| 238 | V | 76.3 | Confident | 62.4 | Low | 3 Ų | 3 | 89 Ų | 89 | 2% | 0.018 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -59.4 | -29.5 | 169.3 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | D240 I241 I258 N262 L282 Y283 K286 | V238-D240 PolarHBondContact O-N 2.99Å; V238-I241 PolarHBondContact O-N 3.23Å; V238-I258 HydrophobicContact CG2-CG2 3.46Å; V238-I258 VanDerWaalsContact CG2-CG2 3.46Å; V238-N262 WeakPolarHBondContact CG2-ND2 2.95Å; V238-L282 HydrophobicContact CG2-CD2 3.6Å; V238-L282 HydrophobicContact CG2-CG 4.17Å; V238-Y283 HydrophobicContact CG1-CD2 4.12Å; V238-K286 HydrophobicContact CB-CD 4.24Å; V238-K286 HydrophobicContact CG1-CD 3.7Å |
| 239 | S | 71.4 | Confident | 64.8 | Low | 86 Ų | 86 | 86.7 Ų | 86.7 | 60% | 0.601 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -68.6 | -13.3 | 179.1 | -49.2 | 0 | 0 | 0 | 0 | 113.9 | S237 K286 | S237-S239 PolarHBondContact O-N 3.31Å; S237-S239 PolarHBondContact OG-N 2.99Å; S239-K286 PolarHBondContact OG-NZ 3.2Å |
| 240 | D | 76.2 | Confident | 67.1 | Low | 112 Ų | 112 | 80.5 Ų | 80.5 | 60% | 0.599 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -93.3 | -0.9 | 180 | -53 | -40.5 | 0 | 0 | 0 | 112.5 | S237 V238 | S237-D240 WeakPolarHBondContact CB-OD2 3.38Å; S237-D240 PolarHBondContact N-OD2 3.45Å; S237-D240 PolarHBondContact O-N 3.45Å; S237-D240 VanDerWaalsContact O-N 3.12Å; V238-D240 PolarHBondContact O-N 2.99Å |
| 241 | I | 78.9 | Confident | 69.8 | Low | 15 Ų | 15 | 77.6 Ų | 77.6 | 8% | 0.077 | 45% | 0.446 | C | S | . | . | trans | -98.5 | 123.1 | -177.8 | -55.2 | 172 | 0 | 0 | 0 | 107.8 | V238 D246 I247 L250 I258 V279 Y283 | V238-I241 PolarHBondContact O-N 3.23Å; I241-D246 HydrophobicContact CG2-CB 4.4Å; I241-I247 HydrophobicContact CD1-CG1 4.45Å; I241-I247 HydrophobicContact CG2-CD1 4.23Å; I241-I247 HydrophobicContact CG2-CG1 3.61Å; I241-L250 HydrophobicContact CD1-CD1 4.21Å; I241-I258 HydrophobicContact CD1-CD1 3.9Å; I241-V279 HydrophobicContact CD1-CG1 4.21Å; I241-Y283 HydrophobicContact CB-CD2 4.15Å; I241-Y283 HydrophobicContact CB-CE2 4.07Å; I241-Y283 HydrophobicContact CG2-CD2 4.02Å; I241-Y283 HydrophobicContact CG2-CE2 3.96Å; I241-Y283 VanDerWaalsContact O-CE2 3.26Å; I241-Y283 WeakPolarHBondContact O-CE2 3.49Å | ||
| 242 | S | 71.1 | Confident | 72.2 | Confident | 102 Ų | 102 | 70 Ų | 70 | 71% | 0.713 | 42% | 0.423 | S | S | * | . | trans | -101.8 | -17.8 | -178.5 | -58.2 | 0 | 0 | 0 | 0 | 113.4 | Y283 | S242-Y283 PolarHBondContact O-OH 3.14Š| ||
| 243 | S | 72.4 | Confident | 74.5 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -153.3 | 158.5 | -179.9 | 78.4 | 0 | 0 | 0 | 0 | 113.5 | R245 D246 | S243-R245 PolarHBondContact O-N 3.06Å; S243-R245 PolarHBondContact OG-N 3.09Å; S243-D246 WeakPolarHBondContact CB-OD2 3.42Å; S243-D246 PolarHBondContact N-OD2 3.39Å; S243-D246 VanDerWaalsContact N-OD2 3.09Å; S243-D246 WeakPolarHBondContact O-CB 3.48Å; S243-D246 PolarHBondContact O-N 2.68Å; S243-D246 VanDerWaalsContact O-N 3.09Å; S243-D246 PolarHBondContact OG-N 3.2Å; S243-D246 PolarHBondContact OG-OD2 2.99Å |
| 244 | V | 73.5 | Confident | 76.7 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 38% | 0.382 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.5 | -27.4 | 174.6 | -179 | 0 | 0 | 0 | 0 | 112.3 | I247 | V244-I247 PolarHBondContact O-N 3.41Å |
| 245 | R | 73.6 | Confident | 78.4 | Confident | 215 Ų | 215 | 66.9 Ų | 66.9 | 81% | 0.811 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.9 | -35.5 | 177 | -77.3 | -175.1 | -91.6 | -160.1 | -6.4 | 112 | S243 I247 K248 | S243-R245 PolarHBondContact O-N 3.06Å; S243-R245 PolarHBondContact OG-N 3.09Å; R245-I247 VanDerWaalsContact C-N 3.26Å; R245-I247 PolarHBondContact O-N 3.37Å; R245-K248 PolarHBondContact O-N 2.83Å |
| 246 | D | 79.2 | Confident | 79.8 | Confident | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.5 | -30 | 179.3 | -56 | -43.1 | 0 | 0 | 0 | 111.5 | I241 S243 K248 G249 L250 | I241-D246 HydrophobicContact CG2-CB 4.4Å; S243-D246 WeakPolarHBondContact CB-OD2 3.42Å; S243-D246 PolarHBondContact N-OD2 3.39Å; S243-D246 VanDerWaalsContact N-OD2 3.09Å; S243-D246 WeakPolarHBondContact O-CB 3.48Å; S243-D246 PolarHBondContact O-N 2.68Å; S243-D246 VanDerWaalsContact O-N 3.09Å; S243-D246 PolarHBondContact OG-N 3.2Å; S243-D246 PolarHBondContact OG-OD2 2.99Å; D246-K248 PolarHBondContact O-N 2.92Å; D246-G249 PolarHBondContact O-N 3.26Å; D246-L250 WeakPolarHBondContact O-CG 3.26Å; D246-L250 PolarHBondContact O-N 2.87Å |
| 247 | I | 83.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 178.3 | -53.2 | 177.6 | 0 | 0 | 0 | 111.5 | I241 V244 R245 G249 L250 L255 V276 V279 N280 Y283 | I241-I247 HydrophobicContact CD1-CG1 4.45Å; I241-I247 HydrophobicContact CG2-CD1 4.23Å; I241-I247 HydrophobicContact CG2-CG1 3.61Å; V244-I247 PolarHBondContact O-N 3.41Å; R245-I247 VanDerWaalsContact C-N 3.26Å; R245-I247 PolarHBondContact O-N 3.37Å; I247-G249 PolarHBondContact O-N 2.97Å; I247-L250 PolarHBondContact O-N 2.92Å; I247-L255 HydrophobicContact CG2-CD2 4.19Å; I247-V276 HydrophobicContact CG2-CG1 4.09Å; I247-V279 HydrophobicContact CD1-CG1 4.47Å; I247-V279 HydrophobicContact CG2-CB 3.99Å; I247-V279 HydrophobicContact CG2-CG1 3.67Å; I247-N280 HydrophobicContact CD1-CB 4.22Å; I247-Y283 HydrophobicContact CD1-CD1 4.36Å; I247-Y283 HydrophobicContact CD1-CG 4.07Å |
| 248 | K | 84.3 | Confident | 81.5 | Confident | 147 Ų | 147 | 70.3 Ų | 70.3 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.9 | -32.2 | 178.5 | -67.6 | -175.6 | 178.7 | -176.2 | 0 | 111.8 | R245 D246 K272 V276 | R245-K248 PolarHBondContact O-N 2.83Å; D246-K248 PolarHBondContact O-N 2.92Å; K248-K272 PolarHBondContact O-NZ 2.86Å; K248-V276 HydrophobicContact CG-CG1 4.17Å |
| 249 | G | 82.2 | Confident | 82 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -75.7 | -15 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D246 I247 | D246-G249 PolarHBondContact O-N 3.26Å; I247-G249 PolarHBondContact O-N 2.97Å |
| 250 | L | 85.9 | Confident | 82.7 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -67.7 | 147.1 | -179 | -65.1 | 173.5 | 0 | 0 | 0 | 112.6 | I241 D246 I247 Q254 L255 I258 K272 | I241-L250 HydrophobicContact CD1-CD1 4.21Å; D246-L250 WeakPolarHBondContact O-CG 3.26Å; D246-L250 PolarHBondContact O-N 2.87Å; I247-L250 PolarHBondContact O-N 2.92Å; L250-Q254 HydrophobicContact CB-CB 4.27Å; L250-Q254 HydrophobicContact CD2-CB 4.3Å; L250-L255 HydrophobicContact CB-CD2 3.91Å; L250-L255 HydrophobicContact CB-CG 3.95Å; L250-L255 HydrophobicContact CD1-CD2 3.96Å; L250-I258 HydrophobicContact CD1-CD1 3.49Å; L250-I258 VanDerWaalsContact CD1-CD1 3.49Å; L250-K272 WeakPolarHBondContact O-CE 3.41Å; L250-K272 PolarHBondContact O-NZ 3.42Å; L250-K272 VanDerWaalsContact O-NZ 3.08Å |
| 251 | S | 88.3 | Confident | 83.1 | Confident | 50 Ų | 50 | 67 Ų | 67 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | trans | -70.7 | 155.1 | 170.4 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | R253 Q254 L255 | S251-R253 PolarHBondContact O-N 3.15Å; S251-R253 VanDerWaalsContact O-N 3.16Å; S251-Q254 PolarHBondContact O-N 3.07Å; S251-Q254 VanDerWaalsContact OG-CD 3.3Å; S251-Q254 VanDerWaalsContact OG-CG 3.31Å; S251-Q254 WeakPolarHBondContact OG-CG 3.34Å; S251-Q254 PolarHBondContact OG-N 3.15Å; S251-Q254 PolarHBondContact OG-OE1 2.89Å; S251-L255 WeakPolarHBondContact O-CG 3.46Å; S251-L255 PolarHBondContact O-N 2.98Å | ||
| 252 | V | 87.3 | Confident | 83.3 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 38% | 0.376 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.6 | -36 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | K256 K272 L275 | V252-K256 HydrophobicContact CG1-CD 4.16Å; V252-K256 WeakPolarHBondContact O-CB 3.39Å; V252-K256 WeakPolarHBondContact O-CG 3.28Å; V252-K256 PolarHBondContact O-N 3.46Å; V252-K272 HydrophobicContact CG2-CB 4.25Å; V252-K272 HydrophobicContact CG2-CD 4.32Å; V252-K272 HydrophobicContact CG2-CG 4.12Å; V252-L275 HydrophobicContact CG1-CD1 3.87Å |
| 253 | R | 86.8 | Confident | 83.9 | Confident | 196 Ų | 196 | 65.4 Ų | 65.4 | 74% | 0.74 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 176.7 | -166.6 | 177.7 | 79.2 | 169.8 | 2.9 | 111.2 | S251 K256 E257 | S251-R253 PolarHBondContact O-N 3.15Å; S251-R253 VanDerWaalsContact O-N 3.16Å; R253-K256 PolarHBondContact O-N 2.93Å; R253-E257 WeakPolarHBondContact O-CB 3.34Å; R253-E257 PolarHBondContact O-N 2.63Å |
| 254 | Q | 88.2 | Confident | 84.5 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 178.7 | -72.1 | 162.8 | -50.4 | 0 | 0 | 111.8 | A236 L250 S251 K256 E257 I258 | A236-Q254 HydrophobicContact CB-CB 4.22Å; A236-Q254 HydrophobicContact CB-CG 4.29Å; L250-Q254 HydrophobicContact CB-CB 4.27Å; L250-Q254 HydrophobicContact CD2-CB 4.3Å; S251-Q254 PolarHBondContact O-N 3.07Å; S251-Q254 VanDerWaalsContact OG-CD 3.3Å; S251-Q254 VanDerWaalsContact OG-CG 3.31Å; S251-Q254 WeakPolarHBondContact OG-CG 3.34Å; S251-Q254 PolarHBondContact OG-N 3.15Å; S251-Q254 PolarHBondContact OG-OE1 2.89Å; Q254-K256 PolarHBondContact O-N 2.78Å; Q254-E257 WeakPolarHBondContact O-CB 3.27Å; Q254-E257 PolarHBondContact O-N 3.36Å; Q254-I258 WeakPolarHBondContact O-CD1 3.41Å; Q254-I258 VanDerWaalsContact O-CG1 3.28Å; Q254-I258 WeakPolarHBondContact O-CG1 2.86Å; Q254-I258 PolarHBondContact O-N 3.18Å |
| 255 | L | 88.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.8 | -48 | 176.5 | -67.9 | 168.6 | 0 | 0 | 0 | 111.5 | I247 L250 S251 E257 I258 L259 K272 L275 V276 V279 | I247-L255 HydrophobicContact CG2-CD2 4.19Å; L250-L255 HydrophobicContact CB-CD2 3.91Å; L250-L255 HydrophobicContact CB-CG 3.95Å; L250-L255 HydrophobicContact CD1-CD2 3.96Å; S251-L255 WeakPolarHBondContact O-CG 3.46Å; S251-L255 PolarHBondContact O-N 2.98Å; L255-E257 VanDerWaalsContact C-N 3.31Å; L255-E257 PolarHBondContact O-N 3.43Å; L255-I258 PolarHBondContact O-N 3.44Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.38Å; L255-K272 HydrophobicContact CD1-CG 4.03Å; L255-L275 HydrophobicContact CB-CB 4.1Å; L255-L275 HydrophobicContact CD1-CB 4.07Å; L255-V276 HydrophobicContact CD1-CG2 3.66Å; L255-V276 HydrophobicContact CD2-CG2 4.18Å; L255-V279 HydrophobicContact CB-CG2 4.44Å; L255-V279 HydrophobicContact CD2-CB 4.15Å; L255-V279 HydrophobicContact CD2-CG1 4.39Å; L255-V279 HydrophobicContact CD2-CG2 3.83Å |
| 256 | K | 87.2 | Confident | 85.5 | Confident | 83 Ų | 83 | 58 Ų | 58 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 176 | -71.9 | 179.6 | 179.6 | -177.4 | 0 | 112.1 | V252 R253 Q254 L259 A260 Y266 L275 | V252-K256 HydrophobicContact CG1-CD 4.16Å; V252-K256 WeakPolarHBondContact O-CB 3.39Å; V252-K256 WeakPolarHBondContact O-CG 3.28Å; V252-K256 PolarHBondContact O-N 3.46Å; R253-K256 PolarHBondContact O-N 2.93Å; Q254-K256 PolarHBondContact O-N 2.78Å; K256-L259 PolarHBondContact O-N 3.21Å; K256-A260 WeakPolarHBondContact O-CB 3.49Å; K256-A260 PolarHBondContact O-N 3.17Å; K256-Y266 HydrophobicContact CB-CE2 4.24Å; K256-Y266 HydrophobicContact CD-CD2 4.5Å; K256-Y266 HydrophobicContact CD-CE2 4.05Å; K256-Y266 HydrophobicContact CG-CD2 4.14Å; K256-Y266 HydrophobicContact CG-CE2 3.92Å; K256-L275 HydrophobicContact CG-CD1 4.04Å; K256-L275 HydrophobicContact CG-CD2 4.22Å |
| 257 | E | 88.5 | Confident | 85.6 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 176 | -128.6 | -175.9 | 137.3 | 0 | 0 | 112.1 | G235 R253 Q254 L255 A260 R261 | G235-E257 VanDerWaalsContact CA-OE1 3.22Å; G235-E257 WeakPolarHBondContact CA-OE1 3.4Å; R253-E257 WeakPolarHBondContact O-CB 3.34Å; R253-E257 PolarHBondContact O-N 2.63Å; Q254-E257 WeakPolarHBondContact O-CB 3.27Å; Q254-E257 PolarHBondContact O-N 3.36Å; L255-E257 VanDerWaalsContact C-N 3.31Å; L255-E257 PolarHBondContact O-N 3.43Å; E257-A260 PolarHBondContact O-N 3.18Å; E257-R261 WeakPolarHBondContact O-CB 3.4Å; E257-R261 WeakPolarHBondContact O-CG 3.43Å; E257-R261 PolarHBondContact O-N 3.1Å; E257-R261 IonicContact OE1-CZ 3.25Å; E257-R261 IonicContact OE1-NH1 3.38Å; E257-R261 PolarHBondContact OE1-NH1 3.09Å; E257-R261 IonicContact OE1-NH2 2.65Å; E257-R261 PolarHBondContact OE1-NH2 3.25Å; E257-R261 IonicContact OE2-NH1 2.61Å |
| 258 | I | 87.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 178.3 | -72.6 | 158.5 | 0 | 0 | 0 | 110.4 | A236 V238 I241 L250 Q254 L255 R261 N262 V279 L282 | A236-I258 HydrophobicContact CB-CD1 3.99Å; A236-I258 HydrophobicContact CB-CG1 3.81Å; A236-I258 WeakPolarHBondContact O-CG1 3.47Å; V238-I258 HydrophobicContact CG2-CG2 3.46Å; V238-I258 VanDerWaalsContact CG2-CG2 3.46Å; I241-I258 HydrophobicContact CD1-CD1 3.9Å; L250-I258 HydrophobicContact CD1-CD1 3.49Å; L250-I258 VanDerWaalsContact CD1-CD1 3.49Å; Q254-I258 WeakPolarHBondContact O-CD1 3.41Å; Q254-I258 VanDerWaalsContact O-CG1 3.28Å; Q254-I258 WeakPolarHBondContact O-CG1 2.86Å; Q254-I258 PolarHBondContact O-N 3.18Å; L255-I258 PolarHBondContact O-N 3.44Å; I258-R261 PolarHBondContact O-N 3.41Å; I258-N262 PolarHBondContact O-N 2.61Å; I258-N262 PolarHBondContact O-ND2 2.82Å; I258-V279 HydrophobicContact CB-CG2 4.47Å; I258-V279 HydrophobicContact CG2-CG1 4Å; I258-V279 HydrophobicContact CG2-CG2 4.13Å; I258-L282 HydrophobicContact CG2-CD2 4.28Å |
| 259 | L | 88.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 178.3 | -65.5 | 172.8 | 0 | 0 | 0 | 111.5 | L255 K256 R261 N262 F263 V264 Y266 L275 R278 V279 L282 | L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.38Å; K256-L259 PolarHBondContact O-N 3.21Å; L259-R261 PolarHBondContact O-N 3.44Å; L259-N262 CarbonylContact O-C 3.44Å; L259-N262 PolarHBondContact O-N 3.16Å; L259-F263 PolarHBondContact O-N 2.96Å; L259-F263 VanDerWaalsContact O-N 3.11Å; L259-V264 HydrophobicContact CB-CB 4.23Å; L259-V264 HydrophobicContact CD2-CB 3.87Å; L259-V264 HydrophobicContact CD2-CG1 3.79Å; L259-V264 HydrophobicContact CD2-CG2 4.37Å; L259-V264 PolarHBondContact O-N 2.78Å; L259-Y266 HydrophobicContact CB-CD1 3.71Å; L259-Y266 HydrophobicContact CB-CE1 4.35Å; L259-Y266 HydrophobicContact CB-CG 4.49Å; L259-Y266 HydrophobicContact CD1-CD1 4.38Å; L259-Y266 HydrophobicContact CD1-CG 4.35Å; L259-L275 HydrophobicContact CD1-CD2 3.72Å; L259-R278 HydrophobicContact CD1-CB 4.12Å; L259-R278 HydrophobicContact CD2-CB 3.9Å; L259-V279 HydrophobicContact CD1-CG2 4.01Å; L259-V279 HydrophobicContact CD2-CB 4.49Å; L259-V279 HydrophobicContact CD2-CG2 3.59Å; L259-V279 HydrophobicContact CG-CG2 3.56Å; L259-L282 HydrophobicContact CD2-CD2 4.46Å |
| 260 | A | 85.1 | Confident | 85.8 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | K256 E257 N262 F263 Y266 | K256-A260 WeakPolarHBondContact O-CB 3.49Å; K256-A260 PolarHBondContact O-N 3.17Å; E257-A260 PolarHBondContact O-N 3.18Å; A260-N262 PolarHBondContact O-N 2.98Å; A260-F263 PolarHBondContact O-N 2.81Å; A260-F263 VanDerWaalsContact O-N 3.08Å; A260-Y266 HydrophobicContact CB-CE1 4.02Å |
| 261 | R | 83.8 | Confident | 86 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 32% | 0.317 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -28.6 | 177.2 | -82.9 | -169.5 | 179.7 | 82 | 21 | 113.4 | G235 A236 E257 I258 L259 K347 | G235-R261 VanDerWaalsContact O-CZ 3.27Å; G235-R261 PolarHBondContact O-NH1 2.68Å; A236-R261 VanDerWaalsContact N-NH1 3.13Å; A236-R261 PolarHBondContact O-NH1 2.87Å; E257-R261 WeakPolarHBondContact O-CB 3.4Å; E257-R261 WeakPolarHBondContact O-CG 3.43Å; E257-R261 PolarHBondContact O-N 3.1Å; E257-R261 IonicContact OE1-CZ 3.25Å; E257-R261 IonicContact OE1-NH1 3.38Å; E257-R261 PolarHBondContact OE1-NH1 3.09Å; E257-R261 IonicContact OE1-NH2 2.65Å; E257-R261 PolarHBondContact OE1-NH2 3.25Å; E257-R261 IonicContact OE2-NH1 2.61Å; I258-R261 PolarHBondContact O-N 3.41Å; L259-R261 PolarHBondContact O-N 3.44Å; R261-K347 WeakPolarHBondContact O-CE 3.4Å; R261-K347 PolarHBondContact O-NZ 2.69Å |
| 262 | N | 84.8 | Confident | 86 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.064 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 14.6 | -180 | -66.3 | -78.7 | 0 | 0 | 0 | 112.4 | V238 I258 L259 A260 V264 L282 T343 H364 | V238-N262 WeakPolarHBondContact CG2-ND2 2.95Å; I258-N262 PolarHBondContact O-N 2.61Å; I258-N262 PolarHBondContact O-ND2 2.82Å; L259-N262 CarbonylContact O-C 3.44Å; L259-N262 PolarHBondContact O-N 3.16Å; A260-N262 PolarHBondContact O-N 2.98Å; N262-V264 HydrophobicContact CB-CG2 4.29Å; N262-V264 PolarHBondContact O-N 3Å; N262-L282 HydrophobicContact CB-CD1 4.15Å; N262-L282 HydrophobicContact CB-CD2 3.64Å; N262-T343 WeakPolarHBondContact O-CG2 3.41Å; N262-H364 VanDerWaalsContact O-CB 3.27Å; N262-H364 WeakPolarHBondContact O-CB 3.3Å |
| 263 | F | 82.2 | Confident | 86.1 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 32% | 0.316 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 29.5 | 176.9 | -63.5 | -99.1 | 0 | 0 | 0 | 113.1 | L259 A260 T343 K347 A362 H364 | L259-F263 PolarHBondContact O-N 2.96Å; L259-F263 VanDerWaalsContact O-N 3.11Å; A260-F263 PolarHBondContact O-N 2.81Å; A260-F263 VanDerWaalsContact O-N 3.08Å; F263-T343 HydrophobicContact CD2-CG2 4.27Å; F263-K347 HydrophobicContact CD2-CD 4.01Å; F263-K347 HydrophobicContact CD2-CG 3.86Å; F263-K347 HydrophobicContact CE2-CB 3.7Å; F263-K347 HydrophobicContact CE2-CD 3.41Å; F263-K347 VanDerWaalsContact CE2-CD 3.41Å; F263-K347 HydrophobicContact CE2-CG 3.26Å; F263-K347 HydrophobicContact CZ-CB 3.88Å; F263-K347 HydrophobicContact CZ-CD 4.39Å; F263-K347 HydrophobicContact CZ-CG 3.96Å; F263-A362 WeakPolarHBondContact CB-O 3.22Å; F263-A362 HydrophobicContact CD1-CB 4.31Å; F263-A362 VanDerWaalsContact CD1-O 3.29Å; F263-A362 WeakPolarHBondContact CD1-O 3.29Å; F263-H364 PolarHBondContact O-N 2.76Å |
| 264 | V | 84.9 | Confident | 86.3 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | trans | -86.2 | 122.1 | 171.9 | 179 | 0 | 0 | 0 | 0 | 107.3 | L259 N262 Y266 L282 H364 F366 | L259-V264 HydrophobicContact CB-CB 4.23Å; L259-V264 HydrophobicContact CD2-CB 3.87Å; L259-V264 HydrophobicContact CD2-CG1 3.79Å; L259-V264 HydrophobicContact CD2-CG2 4.37Å; L259-V264 PolarHBondContact O-N 2.78Å; N262-V264 HydrophobicContact CB-CG2 4.29Å; N262-V264 PolarHBondContact O-N 3Å; V264-Y266 PolarHBondContact O-N 3.43Å; V264-L282 HydrophobicContact CG2-CD1 4.07Å; V264-L282 HydrophobicContact CG2-CD2 4.18Å; V264-H364 HydrophobicContact CG2-CB 3.91Å; V264-F366 HydrophobicContact CG1-CE2 3.92Å; V264-F366 HydrophobicContact CG1-CZ 3.8Å; V264-F366 HydrophobicContact CG2-CE2 4.41Å; V264-F366 HydrophobicContact CG2-CZ 3.9Å | ||
| 265 | N | 82.5 | Confident | 86.3 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | trans | -70.2 | 127.4 | 175.9 | -172 | 23.6 | 0 | 0 | 0 | 110.6 | S267 | N265-S267 VanDerWaalsContact CG-OG 3.31Å; N265-S267 PolarHBondContact ND2-OG 3.42Å; N265-S267 WeakPolarHBondContact OD1-CB 3.49Å; N265-S267 PolarHBondContact OD1-N 3.49Å; N265-S267 PolarHBondContact OD1-OG 3.15Å; N265-S267 VanDerWaalsContact OD1-OG 3.07Å | ||
| 266 | Y | 85.5 | Confident | 86.4 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 30% | 0.302 | 31% | 0.306 | S | S | . | . | trans | -120.1 | 13.4 | 175 | 60.1 | -94.1 | 0 | 0 | 0 | 112.4 | K256 L259 A260 V264 G268 C269 L275 | K256-Y266 HydrophobicContact CB-CE2 4.24Å; K256-Y266 HydrophobicContact CD-CD2 4.5Å; K256-Y266 HydrophobicContact CD-CE2 4.05Å; K256-Y266 HydrophobicContact CG-CD2 4.14Å; K256-Y266 HydrophobicContact CG-CE2 3.92Å; L259-Y266 HydrophobicContact CB-CD1 3.71Å; L259-Y266 HydrophobicContact CB-CE1 4.35Å; L259-Y266 HydrophobicContact CB-CG 4.49Å; L259-Y266 HydrophobicContact CD1-CD1 4.38Å; L259-Y266 HydrophobicContact CD1-CG 4.35Å; A260-Y266 HydrophobicContact CB-CE1 4.02Å; V264-Y266 PolarHBondContact O-N 3.43Å; Y266-G268 PolarHBondContact O-N 3.36Å; Y266-C269 PolarHBondContact O-N 3.19Å; Y266-C269 VanDerWaalsContact O-N 3.14Å; Y266-C269 PolarHBondContact O-SG 3.07Å; Y266-L275 HydrophobicContact CD2-CD2 4.44Å; Y266-L275 HydrophobicContact CG-CD2 4.35Å | ||
| 267 | S | 82.1 | Confident | 86.4 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 129.1 | 169.7 | 67.3 | 0 | 0 | 0 | 0 | 109.8 | N265 | N265-S267 VanDerWaalsContact CG-OG 3.31Å; N265-S267 PolarHBondContact ND2-OG 3.42Å; N265-S267 WeakPolarHBondContact OD1-CB 3.49Å; N265-S267 PolarHBondContact OD1-N 3.49Å; N265-S267 PolarHBondContact OD1-OG 3.15Å; N265-S267 VanDerWaalsContact OD1-OG 3.07Å |
| 268 | G | 83.3 | Confident | 86.4 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | 3.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y266 C270 | Y266-G268 PolarHBondContact O-N 3.36Å; G268-C270 PolarHBondContact O-N 2.92Å |
| 269 | C | 87.3 | Confident | 86.6 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | trans | -77.7 | 109.5 | 166.3 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | Y266 E274 L275 R278 | Y266-C269 PolarHBondContact O-N 3.19Å; Y266-C269 VanDerWaalsContact O-N 3.14Å; Y266-C269 PolarHBondContact O-SG 3.07Å; C269-E274 VanDerWaalsContact C-OE2 3.27Å; C269-E274 WeakPolarHBondContact CA-OE2 3.47Å; C269-E274 HydrophobicContact CB-CB 4.21Å; C269-L275 HydrophobicContact CB-CD2 3.65Å; C269-L275 HydrophobicContact CB-CG 3.93Å; C269-R278 PolarHBondContact SG-NH1 3.25Å | ||
| 270 | C | 84.4 | Confident | 86.6 | Confident | 118 Ų | 118 | 60.5 Ų | 60.5 | 80% | 0.797 | 32% | 0.319 | S | S | * | . | trans | -87.1 | -31.4 | 177.7 | -66 | 0 | 0 | 0 | 0 | 111.4 | G268 E274 | G268-C270 PolarHBondContact O-N 2.92Å; C270-E274 PolarHBondContact N-OE2 2.9Å | ||
| 271 | E | 89 | Confident | 86.8 | Confident | 112 Ų | 112 | 63.4 Ų | 63.4 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -119.9 | 154.4 | -170.1 | -59.6 | -169.5 | 132 | 0 | 0 | 113 | W273 E274 | E271-W273 VanDerWaalsContact C-N 3.26Å; E271-W273 VanDerWaalsContact CB-CD1 3.41Å; E271-W273 HydrophobicContact CB-CG 4.41Å; E271-W273 PolarHBondContact O-N 3.34Å; E271-W273 VanDerWaalsContact OE2-CD1 3.31Å; E271-W273 PolarHBondContact OE2-NE1 2.99Å; E271-E274 HydrophobicContact CB-CG 4.42Å; E271-E274 PolarHBondContact N-OE2 3.21Å; E271-E274 VanDerWaalsContact N-OE2 3.08Å; E271-E274 PolarHBondContact O-N 3.48Å |
| 272 | K | 88.4 | Confident | 87 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 40% | 0.4 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | -179 | 179.1 | -179 | 168.5 | -174.2 | 0 | 111.3 | K248 L250 V252 L255 E274 L275 V276 | K248-K272 PolarHBondContact O-NZ 2.86Å; L250-K272 WeakPolarHBondContact O-CE 3.41Å; L250-K272 PolarHBondContact O-NZ 3.42Å; L250-K272 VanDerWaalsContact O-NZ 3.08Å; V252-K272 HydrophobicContact CG2-CB 4.25Å; V252-K272 HydrophobicContact CG2-CD 4.32Å; V252-K272 HydrophobicContact CG2-CG 4.12Å; L255-K272 HydrophobicContact CD1-CG 4.03Å; K272-E274 VanDerWaalsContact C-N 3.33Å; K272-E274 PolarHBondContact O-N 3.27Å; K272-L275 WeakPolarHBondContact O-CB 3.5Å; K272-L275 PolarHBondContact O-N 3.41Å; K272-V276 HydrophobicContact CG-CG2 4.27Å; K272-V276 WeakPolarHBondContact O-CG2 3.34Å; K272-V276 PolarHBondContact O-N 3.45Å |
| 273 | W | 89.8 | Confident | 87.1 | Confident | 139 Ų | 139 | 60.6 Ų | 60.6 | 53% | 0.527 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | -177.4 | 75 | -95.8 | 0 | 0 | 0 | 111.9 | E271 L275 V276 E277 | E271-W273 VanDerWaalsContact C-N 3.26Å; E271-W273 VanDerWaalsContact CB-CD1 3.41Å; E271-W273 HydrophobicContact CB-CG 4.41Å; E271-W273 PolarHBondContact O-N 3.34Å; E271-W273 VanDerWaalsContact OE2-CD1 3.31Å; E271-W273 PolarHBondContact OE2-NE1 2.99Å; W273-L275 VanDerWaalsContact C-N 3.27Å; W273-L275 PolarHBondContact O-N 2.96Å; W273-V276 CarbonylContact O-C 3.54Å; W273-V276 WeakPolarHBondContact O-CA 3.22Å; W273-V276 WeakPolarHBondContact O-CB 3.27Å; W273-V276 PolarHBondContact O-N 3.14Å; W273-V276 VanDerWaalsContact O-N 3.1Å; W273-E277 VanDerWaalsContact CZ3-OE2 3.27Å; W273-E277 WeakPolarHBondContact CZ3-OE2 3.28Å; W273-E277 WeakPolarHBondContact O-CB 3.33Å; W273-E277 PolarHBondContact O-N 3.02Å |
| 274 | E | 89.8 | Confident | 87.3 | Confident | 40 Ų | 40 | 63 Ų | 63 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 178.2 | -61.7 | 179 | 131.9 | 0 | 0 | 112.6 | C269 C270 E271 K272 R278 | C269-E274 VanDerWaalsContact C-OE2 3.27Å; C269-E274 WeakPolarHBondContact CA-OE2 3.47Å; C269-E274 HydrophobicContact CB-CB 4.21Å; C270-E274 PolarHBondContact N-OE2 2.9Å; E271-E274 HydrophobicContact CB-CG 4.42Å; E271-E274 PolarHBondContact N-OE2 3.21Å; E271-E274 VanDerWaalsContact N-OE2 3.08Å; E271-E274 PolarHBondContact O-N 3.48Å; K272-E274 VanDerWaalsContact C-N 3.33Å; K272-E274 PolarHBondContact O-N 3.27Å; E274-R278 WeakPolarHBondContact O-CG 3.26Å; E274-R278 PolarHBondContact O-N 3.15Å; E274-R278 PolarHBondContact O-NH1 3.34Å |
| 275 | L | 89 | Confident | 87.1 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.7 | -43.2 | 172.7 | -65.7 | 171.2 | 0 | 0 | 0 | 110.7 | V252 L255 K256 L259 Y266 C269 K272 W273 E277 R278 V279 | V252-L275 HydrophobicContact CG1-CD1 3.87Å; L255-L275 HydrophobicContact CB-CB 4.1Å; L255-L275 HydrophobicContact CD1-CB 4.07Å; K256-L275 HydrophobicContact CG-CD1 4.04Å; K256-L275 HydrophobicContact CG-CD2 4.22Å; L259-L275 HydrophobicContact CD1-CD2 3.72Å; Y266-L275 HydrophobicContact CD2-CD2 4.44Å; Y266-L275 HydrophobicContact CG-CD2 4.35Å; C269-L275 HydrophobicContact CB-CD2 3.65Å; C269-L275 HydrophobicContact CB-CG 3.93Å; K272-L275 WeakPolarHBondContact O-CB 3.5Å; K272-L275 PolarHBondContact O-N 3.41Å; W273-L275 VanDerWaalsContact C-N 3.27Å; W273-L275 PolarHBondContact O-N 2.96Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-E277 PolarHBondContact O-N 3.06Å; L275-R278 PolarHBondContact O-N 3.35Å; L275-V279 VanDerWaalsContact O-CG2 3.3Å; L275-V279 WeakPolarHBondContact O-CG2 3.1Å; L275-V279 PolarHBondContact O-N 3.44Å |
| 276 | V | 89.8 | Confident | 87 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | 175.8 | 167.5 | 0 | 0 | 0 | 0 | 110.4 | I247 K248 L255 K272 W273 V279 N280 | I247-V276 HydrophobicContact CG2-CG1 4.09Å; K248-V276 HydrophobicContact CG-CG1 4.17Å; L255-V276 HydrophobicContact CD1-CG2 3.66Å; L255-V276 HydrophobicContact CD2-CG2 4.18Å; K272-V276 HydrophobicContact CG-CG2 4.27Å; K272-V276 WeakPolarHBondContact O-CG2 3.34Å; K272-V276 PolarHBondContact O-N 3.45Å; W273-V276 CarbonylContact O-C 3.54Å; W273-V276 WeakPolarHBondContact O-CA 3.22Å; W273-V276 WeakPolarHBondContact O-CB 3.27Å; W273-V276 PolarHBondContact O-N 3.14Å; W273-V276 VanDerWaalsContact O-N 3.1Å; V276-V279 PolarHBondContact O-N 3.26Å; V276-N280 VanDerWaalsContact O-CB 3.25Å; V276-N280 WeakPolarHBondContact O-CB 3.48Å; V276-N280 PolarHBondContact O-N 3Å |
| 277 | E | 88.6 | Confident | 86.8 | Confident | 98 Ų | 98 | 64 Ų | 64 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 178.3 | -173.4 | -172.9 | -164 | 0 | 0 | 111.5 | W273 L275 V279 N280 R281 | W273-E277 VanDerWaalsContact CZ3-OE2 3.27Å; W273-E277 WeakPolarHBondContact CZ3-OE2 3.28Å; W273-E277 WeakPolarHBondContact O-CB 3.33Å; W273-E277 PolarHBondContact O-N 3.02Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-E277 PolarHBondContact O-N 3.06Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 3.11Å; E277-N280 PolarHBondContact O-N 2.88Å; E277-R281 WeakPolarHBondContact O-CB 3.33Å; E277-R281 PolarHBondContact O-N 3.22Å |
| 278 | R | 88.5 | Confident | 86.4 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 23% | 0.226 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.4 | -76.8 | 179.2 | 175.5 | 78 | -5.1 | 112.6 | L259 C269 E274 L275 L282 | L259-R278 HydrophobicContact CD1-CB 4.12Å; L259-R278 HydrophobicContact CD2-CB 3.9Å; C269-R278 PolarHBondContact SG-NH1 3.25Å; E274-R278 WeakPolarHBondContact O-CG 3.26Å; E274-R278 PolarHBondContact O-N 3.15Å; E274-R278 PolarHBondContact O-NH1 3.34Å; L275-R278 PolarHBondContact O-N 3.35Å; R278-L282 WeakPolarHBondContact O-CB 3.35Å; R278-L282 PolarHBondContact O-N 2.93Å; R278-L282 VanDerWaalsContact O-N 3.08Å |
| 279 | V | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -39 | 176 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | I241 I247 L255 I258 L259 L275 V276 E277 L282 Y283 | I241-V279 HydrophobicContact CD1-CG1 4.21Å; I247-V279 HydrophobicContact CD1-CG1 4.47Å; I247-V279 HydrophobicContact CG2-CB 3.99Å; I247-V279 HydrophobicContact CG2-CG1 3.67Å; L255-V279 HydrophobicContact CB-CG2 4.44Å; L255-V279 HydrophobicContact CD2-CB 4.15Å; L255-V279 HydrophobicContact CD2-CG1 4.39Å; L255-V279 HydrophobicContact CD2-CG2 3.83Å; I258-V279 HydrophobicContact CB-CG2 4.47Å; I258-V279 HydrophobicContact CG2-CG1 4Å; I258-V279 HydrophobicContact CG2-CG2 4.13Å; L259-V279 HydrophobicContact CD1-CG2 4.01Å; L259-V279 HydrophobicContact CD2-CB 4.49Å; L259-V279 HydrophobicContact CD2-CG2 3.59Å; L259-V279 HydrophobicContact CG-CG2 3.56Å; L275-V279 VanDerWaalsContact O-CG2 3.3Å; L275-V279 WeakPolarHBondContact O-CG2 3.1Å; L275-V279 PolarHBondContact O-N 3.44Å; V276-V279 PolarHBondContact O-N 3.26Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 3.11Å; V279-L282 WeakPolarHBondContact O-CB 3.33Å; V279-L282 PolarHBondContact O-N 3.49Å; V279-Y283 WeakPolarHBondContact O-CB 3.44Å; V279-Y283 PolarHBondContact O-N 3.26Å |
| 280 | N | 89.5 | Confident | 85.4 | Confident | 44 Ų | 44 | 65.6 Ų | 65.6 | 24% | 0.235 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 177.4 | -166.4 | 13.3 | 0 | 0 | 0 | 111.5 | I247 V276 E277 Y283 R284 | I247-N280 HydrophobicContact CD1-CB 4.22Å; V276-N280 VanDerWaalsContact O-CB 3.25Å; V276-N280 WeakPolarHBondContact O-CB 3.48Å; V276-N280 PolarHBondContact O-N 3Å; E277-N280 PolarHBondContact O-N 2.88Å; N280-Y283 PolarHBondContact O-N 3Å; N280-R284 PolarHBondContact O-N 3.23Å |
| 281 | R | 88.5 | Confident | 84.6 | Confident | 109 Ų | 109 | 64.7 Ų | 64.7 | 41% | 0.411 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 173.5 | -168.2 | 171.5 | 64 | -157.6 | 1.7 | 111.7 | E277 Y283 R284 E285 F366 | E277-R281 WeakPolarHBondContact O-CB 3.33Å; E277-R281 PolarHBondContact O-N 3.22Å; R281-Y283 VanDerWaalsContact C-N 3.33Å; R281-Y283 PolarHBondContact O-N 3.22Å; R281-R284 PolarHBondContact O-N 2.98Å; R281-E285 WeakPolarHBondContact O-CB 3.01Å; R281-E285 PolarHBondContact O-N 3.31Å; R281-F366 HydrophobicContact CB-CD1 4.36Å; R281-F366 HydrophobicContact CB-CE1 4.11Å; R281-F366 HydrophobicContact CG-CD1 3.59Å; R281-F366 HydrophobicContact CG-CE1 3.84Å; R281-F366 HydrophobicContact CG-CG 4.38Å; R281-F366 VanDerWaalsContact NE-CD1 3.28Å; R281-F366 VanDerWaalsContact NH2-CE2 3.27Å |
| 282 | L | 87.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 175.6 | 178.3 | 67.6 | 0 | 0 | 0 | 112.1 | V238 I258 L259 N262 V264 R278 V279 K286 F366 | V238-L282 HydrophobicContact CG2-CD2 3.6Å; V238-L282 HydrophobicContact CG2-CG 4.17Å; I258-L282 HydrophobicContact CG2-CD2 4.28Å; L259-L282 HydrophobicContact CD2-CD2 4.46Å; N262-L282 HydrophobicContact CB-CD1 4.15Å; N262-L282 HydrophobicContact CB-CD2 3.64Å; V264-L282 HydrophobicContact CG2-CD1 4.07Å; V264-L282 HydrophobicContact CG2-CD2 4.18Å; R278-L282 WeakPolarHBondContact O-CB 3.35Å; R278-L282 PolarHBondContact O-N 2.93Å; R278-L282 VanDerWaalsContact O-N 3.08Å; V279-L282 WeakPolarHBondContact O-CB 3.33Å; V279-L282 PolarHBondContact O-N 3.49Å; L282-K286 WeakPolarHBondContact O-CB 3.45Å; L282-K286 PolarHBondContact O-N 3.1Å; L282-F366 HydrophobicContact CB-CE1 4.14Å |
| 283 | Y | 87.4 | Confident | 82.4 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 14% | 0.137 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -51.2 | 178.5 | 179.9 | -95.6 | 0 | 0 | 0 | 111.9 | V238 I241 S242 I247 V279 N280 R281 E285 K286 E287 | V238-Y283 HydrophobicContact CG1-CD2 4.12Å; I241-Y283 HydrophobicContact CB-CD2 4.15Å; I241-Y283 HydrophobicContact CB-CE2 4.07Å; I241-Y283 HydrophobicContact CG2-CD2 4.02Å; I241-Y283 HydrophobicContact CG2-CE2 3.96Å; I241-Y283 VanDerWaalsContact O-CE2 3.26Å; I241-Y283 WeakPolarHBondContact O-CE2 3.49Å; S242-Y283 PolarHBondContact O-OH 3.14Å; I247-Y283 HydrophobicContact CD1-CD1 4.36Å; I247-Y283 HydrophobicContact CD1-CG 4.07Å; V279-Y283 WeakPolarHBondContact O-CB 3.44Å; V279-Y283 PolarHBondContact O-N 3.26Å; N280-Y283 PolarHBondContact O-N 3Å; R281-Y283 VanDerWaalsContact C-N 3.33Å; R281-Y283 PolarHBondContact O-N 3.22Å; Y283-E285 VanDerWaalsContact C-N 3.33Å; Y283-E285 PolarHBondContact O-N 2.88Å; Y283-K286 PolarHBondContact O-N 3.34Å; Y283-E287 PolarHBondContact O-N 3.08Å |
| 284 | R | 85.8 | Confident | 81 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 46% | 0.464 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 178.1 | -77.6 | -178.7 | 64.2 | -121.7 | 8.7 | 112.7 | N280 R281 E287 K288 | N280-R284 PolarHBondContact O-N 3.23Å; R281-R284 PolarHBondContact O-N 2.98Å; R284-E287 PolarHBondContact O-N 2.9Å; R284-K288 WeakPolarHBondContact O-CG 3.4Å; R284-K288 PolarHBondContact O-N 3.46Å |
| 285 | E | 81.4 | Confident | 79.5 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 179.1 | -171 | 169.3 | -164.9 | 0 | 0 | 111.7 | R281 Y283 K288 N289 H364 F366 K367 | R281-E285 WeakPolarHBondContact O-CB 3.01Å; R281-E285 PolarHBondContact O-N 3.31Å; Y283-E285 VanDerWaalsContact C-N 3.33Å; Y283-E285 PolarHBondContact O-N 2.88Å; E285-K288 PolarHBondContact O-N 3.01Å; E285-N289 WeakPolarHBondContact O-CB 3.38Å; E285-N289 PolarHBondContact O-N 3.18Å; E285-H364 IonicContact OE2-CE1 2.74Å; E285-H364 PolarHBondContact OE2-CE1 2.76Å; E285-H364 VanDerWaalsContact OE2-CE1 3.28Å; E285-F366 WeakPolarHBondContact OE2-CA 3.36Å; E285-F366 WeakPolarHBondContact OE2-CD1 3.49Å; E285-K367 PolarHBondContact OE1-N 3.14Å |
| 286 | K | 81.2 | Confident | 77.5 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 27% | 0.27 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.3 | -167.7 | 171.8 | -173.9 | 167.8 | 0 | 111.9 | V238 S239 L282 Y283 N289 T290 | V238-K286 HydrophobicContact CB-CD 4.24Å; V238-K286 HydrophobicContact CG1-CD 3.7Å; S239-K286 PolarHBondContact OG-NZ 3.2Å; L282-K286 WeakPolarHBondContact O-CB 3.45Å; L282-K286 PolarHBondContact O-N 3.1Å; Y283-K286 PolarHBondContact O-N 3.34Å; K286-N289 WeakPolarHBondContact O-CB 3.24Å; K286-N289 PolarHBondContact O-N 3.1Å; K286-T290 PolarHBondContact O-N 2.84Å; K286-T290 PolarHBondContact O-OG1 3.23Å |
| 287 | E | 79.9 | Confident | 75.4 | Confident | 92 Ų | 92 | 75 Ų | 75 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.5 | -174.8 | 177.5 | -145 | 0 | 0 | 112 | Y283 R284 T290 N291 | Y283-E287 PolarHBondContact O-N 3.08Å; R284-E287 PolarHBondContact O-N 2.9Å; E287-T290 WeakPolarHBondContact CA-OG1 3.49Å; E287-T290 PolarHBondContact O-N 3.24Å; E287-T290 PolarHBondContact O-OG1 3.33Å; E287-N291 WeakPolarHBondContact O-CB 3.41Å; E287-N291 PolarHBondContact O-N 3.46Å |
| 288 | K | 74.7 | Confident | 73.3 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.8 | -73.2 | 176.6 | -178.5 | -176 | 0 | 111.3 | R284 E285 T290 N291 T292 | R284-K288 WeakPolarHBondContact O-CG 3.4Å; R284-K288 PolarHBondContact O-N 3.46Å; E285-K288 PolarHBondContact O-N 3.01Å; K288-T290 VanDerWaalsContact C-N 3.35Å; K288-T290 PolarHBondContact O-N 3.05Å; K288-N291 PolarHBondContact O-N 2.79Å; K288-T292 WeakPolarHBondContact O-CB 3.3Å; K288-T292 PolarHBondContact O-N 3.13Å; K288-T292 PolarHBondContact O-OG1 3.38Å |
| 289 | N | 74.7 | Confident | 71.3 | Confident | 24 Ų | 24 | 78.7 Ų | 78.7 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 177.8 | -179.1 | 17.6 | 0 | 0 | 0 | 111.7 | E285 K286 L293 V328 | E285-N289 WeakPolarHBondContact O-CB 3.38Å; E285-N289 PolarHBondContact O-N 3.18Å; K286-N289 WeakPolarHBondContact O-CB 3.24Å; K286-N289 PolarHBondContact O-N 3.1Å; N289-L293 PolarHBondContact O-N 3.21Å; N289-L293 VanDerWaalsContact O-N 3.17Å; N289-V328 HydrophobicContact CB-CG2 4.08Å; N289-V328 WeakPolarHBondContact ND2-CG2 3.19Å; N289-V328 WeakPolarHBondContact OD1-CB 3.49Å; N289-V328 WeakPolarHBondContact OD1-CG1 3.26Å; N289-V328 WeakPolarHBondContact OD1-CG2 3Å; N289-V328 PolarHBondContact OD1-N 3.26Å |
| 290 | T | 73.8 | Confident | 69.1 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 36% | 0.362 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.1 | 45.5 | 0 | 0 | 0 | 0 | 113 | K286 E287 K288 L293 M294 | K286-T290 PolarHBondContact O-N 2.84Å; K286-T290 PolarHBondContact O-OG1 3.23Å; E287-T290 WeakPolarHBondContact CA-OG1 3.49Å; E287-T290 PolarHBondContact O-N 3.24Å; E287-T290 PolarHBondContact O-OG1 3.33Å; K288-T290 VanDerWaalsContact C-N 3.35Å; K288-T290 PolarHBondContact O-N 3.05Å; T290-L293 PolarHBondContact O-N 3.43Å; T290-M294 WeakPolarHBondContact O-CB 3.2Å; T290-M294 WeakPolarHBondContact O-CG 3.44Å; T290-M294 PolarHBondContact O-N 3.46Å |
| 291 | N | 69.3 | Low | 66.9 | Low | 99 Ų | 99 | 89.9 Ų | 89.9 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -39 | 178.4 | -82.5 | -10 | 0 | 0 | 0 | 112 | E287 K288 L293 M294 A295 | E287-N291 WeakPolarHBondContact O-CB 3.41Å; E287-N291 PolarHBondContact O-N 3.46Å; K288-N291 PolarHBondContact O-N 2.79Å; N291-L293 VanDerWaalsContact C-N 3.26Å; N291-L293 PolarHBondContact O-N 2.61Å; N291-M294 PolarHBondContact O-N 3.21Å; N291-A295 VanDerWaalsContact O-CB 3.28Å; N291-A295 WeakPolarHBondContact O-CB 3.15Å; N291-A295 PolarHBondContact O-N 3.2Å |
| 292 | T | 65.8 | Low | 64.6 | Low | 84 Ų | 84 | 91.9 Ų | 91.9 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 173.5 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | K288 | K288-T292 WeakPolarHBondContact O-CB 3.3Å; K288-T292 PolarHBondContact O-N 3.13Å; K288-T292 PolarHBondContact O-OG1 3.38Å |
| 293 | L | 64.2 | Low | 62.7 | Low | 77 Ų | 77 | 95.7 Ų | 95.7 | 40% | 0.403 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75.7 | -34.2 | 178.1 | -165.9 | 70.3 | 0 | 0 | 0 | 113 | N289 T290 N291 L320 D326 | N289-L293 PolarHBondContact O-N 3.21Å; N289-L293 VanDerWaalsContact O-N 3.17Å; T290-L293 PolarHBondContact O-N 3.43Å; N291-L293 VanDerWaalsContact C-N 3.26Å; N291-L293 PolarHBondContact O-N 2.61Å; L293-L320 HydrophobicContact CD1-CD2 3.9Å; L293-D326 WeakPolarHBondContact CD2-O 3.28Å |
| 294 | M | 60.9 | Low | 60.3 | Low | 151 Ų | 151 | 98.8 Ų | 98.8 | 74% | 0.744 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -84.3 | -17.1 | -179.9 | -70.4 | -165 | -175.7 | 0 | 0 | 114.5 | T290 N291 F296 | T290-M294 WeakPolarHBondContact O-CB 3.2Å; T290-M294 WeakPolarHBondContact O-CG 3.44Å; T290-M294 PolarHBondContact O-N 3.46Å; N291-M294 PolarHBondContact O-N 3.21Å; M294-F296 PolarHBondContact O-N 3.19Å |
| 295 | A | 57.8 | Low | 58.9 | Low | 66 Ų | 66 | 101.7 Ų | 101.7 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | -4.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N291 | N291-A295 VanDerWaalsContact O-CB 3.28Å; N291-A295 WeakPolarHBondContact O-CB 3.15Å; N291-A295 PolarHBondContact O-N 3.2Å |
| 296 | F | 46.6 | Very low | 57.2 | Low | 130 Ų | 130 | 103.6 Ų | 103.6 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | trans | -135.7 | 96.9 | 175.9 | -62.7 | -77.6 | 0 | 0 | 0 | 111.4 | M294 S298 | M294-F296 PolarHBondContact O-N 3.19Å; F296-S298 PolarHBondContact O-N 3.02Å | ||
| 297 | P | 46.6 | Very low | 55.4 | Low | 117 Ų | 117 | 108.6 Ų | 108.6 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 116 | 162 | -2.5 | 18.2 | 0 | 0 | 0 | 107.2 | P299 | P297-P299 WeakPolarHBondContact O-CD 3.31Š|
| 298 | S | 43.6 | Very low | 54.1 | Low | 115 Ų | 115 | 107.7 Ų | 107.7 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 123.3 | 168.9 | -61 | 0 | 0 | 0 | 0 | 109.6 | F296 L300 | F296-S298 PolarHBondContact O-N 3.02Å; S298-L300 PolarHBondContact O-N 2.99Å |
| 299 | P | 47.7 | Very low | 52.6 | Low | 120 Ų | 120 | 110.8 Ų | 110.8 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 128.4 | 160.2 | -1 | 18.5 | 0 | 0 | 0 | 106.8 | P297 C301 | P297-P299 WeakPolarHBondContact O-CD 3.31Å; P299-C301 PolarHBondContact O-N 2.84Å |
| 300 | L | 43.1 | Very low | 51.2 | Low | 155 Ų | 155 | 119.8 Ų | 119.8 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -31.2 | 125.6 | 162.4 | -103.8 | 62 | 0 | 0 | 0 | 111.3 | S298 N302 | S298-L300 PolarHBondContact O-N 2.99Å; L300-N302 PolarHBondContact O-N 3.36Å | ||
| 301 | C | 43.4 | Very low | 49.7 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 83% | 0.831 | 73% | 0.733 | S | S | * | * | trans | -55.6 | 105.2 | 162.5 | 50.7 | 0 | 0 | 0 | 0 | 109.6 | P299 | P299-C301 PolarHBondContact O-N 2.84Š| ||
| 302 | N | 41.9 | Very low | 48.4 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -111.6 | 121 | 152.8 | -91 | 1.8 | 0 | 0 | 0 | 107.1 | L300 | L300-N302 PolarHBondContact O-N 3.36Š| ||
| 303 | G | 47.8 | Very low | 47.2 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -61.8 | 144.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 304 | A | 37 | Very low | 46.3 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -153.9 | 124.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 305 | I | 55.1 | Low | 45.7 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 94% | 0.938 | 76% | 0.756 | S | S | * | * | trans | -63.8 | 125.7 | 168.7 | -64.7 | 178.9 | 0 | 0 | 0 | 107.5 | ||||
| 306 | G | 45.3 | Very low | 45.4 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -178 | 98.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 307 | D | 45 | Very low | 46.1 | Very low | 167 Ų | 167 | 123.6 Ų | 123.6 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | trans | 13.2 | 117.3 | 155.6 | -130.8 | -90.2 | 0 | 0 | 0 | 119.9 | E309 | D307-E309 PolarHBondContact O-N 3.11Š| ||
| 308 | G | 51.4 | Low | 47.3 | Very low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | 86.5 | 9.7 | 116.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 309 | E | 44.3 | Very low | 49.1 | Very low | 181 Ų | 181 | 120.8 Ų | 120.8 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -123.2 | 114.2 | 168.2 | -71.3 | -171.2 | 129.1 | 0 | 0 | 110.3 | D307 C311 | D307-E309 PolarHBondContact O-N 3.11Å; E309-C311 PolarHBondContact O-N 3.46Å | ||
| 310 | K | 44.9 | Very low | 51.1 | Low | 212 Ų | 212 | 116.4 Ų | 116.4 | 92% | 0.922 | 69% | 0.69 | S | S | * | * | trans | -62.4 | 99 | 177.4 | -74.7 | 179.5 | 178.7 | -178.5 | 0 | 109 | ||||
| 311 | C | 42.6 | Very low | 53.3 | Low | 81 Ų | 81 | 109.1 Ų | 109.1 | 55% | 0.547 | 65% | 0.651 | S | S | . | * | trans | -50.9 | 131.2 | 166.9 | -75.2 | 0 | 0 | 0 | 0 | 109.6 | E309 L313 | E309-C311 PolarHBondContact O-N 3.46Å; C311-L313 HydrophobicContact CB-CB 4.36Å; C311-L313 HydrophobicContact CB-CD1 4.23Å; C311-L313 HydrophobicContact CB-CG 4.15Å; C311-L313 PolarHBondContact O-N 3.45Å | ||
| 312 | P | 40.6 | Very low | 55.5 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -62.4 | -1.3 | 175.3 | -21.7 | 32.5 | 0 | 0 | 0 | 114.9 | T314 L315 | P312-T314 PolarHBondContact O-N 2.93Å; P312-T314 VanDerWaalsContact O-N 3.1Å; P312-L315 PolarHBondContact O-N 3.36Å |
| 313 | L | 42.6 | Very low | 57.8 | Low | 122 Ų | 122 | 106.4 Ų | 106.4 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -65.4 | -11.1 | -174.5 | -61.9 | 177.1 | 0 | 0 | 0 | 114.5 | C311 | C311-L313 HydrophobicContact CB-CB 4.36Å; C311-L313 HydrophobicContact CB-CD1 4.23Å; C311-L313 HydrophobicContact CB-CG 4.15Å; C311-L313 PolarHBondContact O-N 3.45Å |
| 314 | T | 44.6 | Very low | 59.8 | Low | 102 Ų | 102 | 104 Ų | 104 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -91.9 | -8.1 | -175.7 | 49.8 | 0 | 0 | 0 | 0 | 114.6 | P312 | P312-T314 PolarHBondContact O-N 2.93Å; P312-T314 VanDerWaalsContact O-N 3.1Å |
| 315 | L | 48.6 | Very low | 62.2 | Low | 130 Ų | 130 | 105.5 Ų | 105.5 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -90.4 | -13.4 | -178.2 | -73.8 | 169.1 | 0 | 0 | 0 | 114.3 | P312 | P312-L315 PolarHBondContact O-N 3.36Š|
| 316 | Q | 51.4 | Low | 63.5 | Low | 102 Ų | 102 | 102.6 Ų | 102.6 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -92.5 | -28.6 | -179.1 | -83.4 | 171.1 | -18.2 | 0 | 0 | 113.4 | D318 N319 | Q316-D318 PolarHBondContact O-N 2.8Å; Q316-N319 PolarHBondContact O-N 3.01Å |
| 317 | D | 60.3 | Low | 65.4 | Low | 98 Ų | 98 | 100.2 Ų | 100.2 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -64.9 | -24 | 177.2 | -71.1 | -20.6 | 0 | 0 | 0 | 113.1 | N319 L320 | D317-N319 PolarHBondContact O-N 2.87Å; D317-L320 PolarHBondContact O-N 3.28Å; D317-L320 VanDerWaalsContact O-N 3.13Å |
| 318 | D | 72.4 | Confident | 67.5 | Low | 89 Ų | 89 | 93.4 Ų | 93.4 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -64.6 | -24.5 | -180 | -83.4 | -36.8 | 0 | 0 | 0 | 113.2 | Q316 R322 | Q316-D318 PolarHBondContact O-N 2.8Å; D318-R322 PolarHBondContact O-NH2 3.27Å; D318-R322 IonicContact OD1-NH2 3.19Å; D318-R322 PolarHBondContact OD1-NH2 3.37Å |
| 319 | N | 81.4 | Confident | 69.4 | Low | 84 Ų | 84 | 91 Ų | 91 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -91.4 | -3.6 | 179.9 | -62.5 | -71.5 | 0 | 0 | 0 | 113.4 | Q316 D317 V328 I329 | Q316-N319 PolarHBondContact O-N 3.01Å; D317-N319 PolarHBondContact O-N 2.87Å; N319-V328 CarbonylContact O-C 3.47Å; N319-V328 WeakPolarHBondContact O-CA 3.47Å; N319-V328 WeakPolarHBondContact O-CB 3.44Å; N319-I329 PolarHBondContact O-N 2.68Å |
| 320 | L | 89 | Confident | 71.6 | Confident | 29 Ų | 29 | 83.4 Ų | 83.4 | 15% | 0.152 | 44% | 0.439 | C | S | . | . | B | Isolated β-bridge | trans | -82.6 | 143.6 | 178.2 | -65.8 | 175.2 | 0 | 0 | 0 | 111.3 | L293 D317 R322 V328 I329 | L293-L320 HydrophobicContact CD1-CD2 3.9Å; D317-L320 PolarHBondContact O-N 3.28Å; D317-L320 VanDerWaalsContact O-N 3.13Å; L320-R322 PolarHBondContact O-N 3.48Å; L320-V328 HydrophobicContact CD2-CG1 4.37Å; L320-I329 WeakPolarHBondContact O-CD1 3.37Å; L320-I329 WeakPolarHBondContact O-CG1 3.49Å |
| 321 | C | 90.4 | Very high | 73.8 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | trans | -53.8 | 120.8 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 109.3 | I323 C324 M325 A327 C342 C345 | C321-I323 PolarHBondContact O-N 3.1Å; C321-I323 PolarHBondContact SG-N 3.08Å; C321-C324 VanDerWaalsContact CB-SG 3.57Å; C321-M325 VanDerWaalsContact O-CA 3.25Å; C321-M325 WeakPolarHBondContact O-CA 3.37Å; C321-M325 PolarHBondContact O-N 3.14Å; C321-A327 WeakPolarHBondContact CB-O 3.33Å; C321-A327 PolarHBondContact N-O 2.9Å; C321-C342 HydrophobicContact CB-CB 3.8Å; C321-C342 PolarHBondContact SG-N 3.3Å; C321-C342 VanDerWaalsContact SG-SG 3.63Å; C321-C345 VanDerWaalsContact SG-SG 3.66Å | ||
| 322 | R | 88.6 | Confident | 76.1 | Confident | 125 Ų | 125 | 70.7 Ų | 70.7 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -0.8 | -177.1 | -55.3 | -59.3 | 178.1 | 103.5 | -4.3 | 113.8 | D318 L320 V340 | D318-R322 PolarHBondContact O-NH2 3.27Å; D318-R322 IonicContact OD1-NH2 3.19Å; D318-R322 PolarHBondContact OD1-NH2 3.37Å; L320-R322 PolarHBondContact O-N 3.48Å; R322-V340 HydrophobicContact CB-CG2 3.86Å; R322-V340 HydrophobicContact CG-CG2 3.67Å; R322-V340 PolarHBondContact N-O 2.92Å |
| 323 | I | 90.6 | Very high | 78.6 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -54.7 | -179.3 | -51.2 | -58 | 0 | 0 | 0 | 111.2 | C321 T341 C345 P353 | C321-I323 PolarHBondContact O-N 3.1Å; C321-I323 PolarHBondContact SG-N 3.08Å; I323-T341 HydrophobicContact CD1-CG2 4.41Å; I323-T341 HydrophobicContact CG1-CG2 3.54Å; I323-C345 HydrophobicContact CB-CB 3.91Å; I323-C345 HydrophobicContact CG1-CB 4.27Å; I323-C345 HydrophobicContact CG2-CB 4.13Å; I323-P353 HydrophobicContact CD1-CB 4.42Å; I323-P353 HydrophobicContact CD1-CG 4.42Å |
| 324 | C | 90.4 | Very high | 80.6 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -23 | 179.5 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | C321 D326 C345 | C321-C324 VanDerWaalsContact CB-SG 3.57Å; C324-D326 HydrophobicContact CB-CB 4.31Å; C324-D326 PolarHBondContact O-N 3.45Å; C324-C345 VanDerWaalsContact CB-SG 3.59Å |
| 325 | M | 86.1 | Confident | 82.5 | Confident | 130 Ų | 130 | 63.7 Ų | 63.7 | 64% | 0.64 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 56.4 | -3.2 | -169 | -61.6 | -178.5 | 167.1 | 0 | 0 | 115.3 | C321 | C321-M325 VanDerWaalsContact O-CA 3.25Å; C321-M325 WeakPolarHBondContact O-CA 3.37Å; C321-M325 PolarHBondContact O-N 3.14Å |
| 326 | D | 83.9 | Confident | 84.4 | Confident | 123 Ų | 123 | 58.9 Ų | 58.9 | 66% | 0.658 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -95.5 | -1.6 | -176.5 | -60.3 | -31.8 | 0 | 0 | 0 | 115 | L293 C324 | L293-D326 WeakPolarHBondContact CD2-O 3.28Å; C324-D326 HydrophobicContact CB-CB 4.31Å; C324-D326 PolarHBondContact O-N 3.45Å |
| 327 | A | 84.9 | Confident | 86.2 | Confident | 20 Ų | 20 | 56 Ų | 56 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -150.6 | 150.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | C321 C342 | C321-A327 WeakPolarHBondContact CB-O 3.33Å; C321-A327 PolarHBondContact N-O 2.9Å; A327-C342 HydrophobicContact CB-CB 3.72Å |
| 328 | V | 89.2 | Confident | 87.7 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 158.6 | 175.1 | -57 | 0 | 0 | 0 | 0 | 112.4 | N289 N319 L320 D330 C342 | N289-V328 HydrophobicContact CB-CG2 4.08Å; N289-V328 WeakPolarHBondContact ND2-CG2 3.19Å; N289-V328 WeakPolarHBondContact OD1-CB 3.49Å; N289-V328 WeakPolarHBondContact OD1-CG1 3.26Å; N289-V328 WeakPolarHBondContact OD1-CG2 3Å; N289-V328 PolarHBondContact OD1-N 3.26Å; N319-V328 CarbonylContact O-C 3.47Å; N319-V328 WeakPolarHBondContact O-CA 3.47Å; N319-V328 WeakPolarHBondContact O-CB 3.44Å; L320-V328 HydrophobicContact CD2-CG1 4.37Å; V328-D330 PolarHBondContact O-N 2.72Å; V328-C342 VanDerWaalsContact O-CB 3.26Å; V328-C342 WeakPolarHBondContact O-CB 3.25Å |
| 329 | I | 90.9 | Very high | 88.6 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | trans | -70.2 | 112.5 | 170.5 | -59.6 | 167.5 | 0 | 0 | 0 | 108.5 | N319 L320 L339 K367 | N319-I329 PolarHBondContact O-N 2.68Å; L320-I329 WeakPolarHBondContact O-CD1 3.37Å; L320-I329 WeakPolarHBondContact O-CG1 3.49Å; I329-L339 VanDerWaalsContact CG2-C 3.49Å; I329-L339 HydrophobicContact CG2-CB 3.82Å; I329-K367 PolarHBondContact O-NZ 3.21Å | ||
| 330 | D | 90.5 | Very high | 89.1 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | trans | -132.2 | 8.5 | -178.7 | 64.4 | -17.3 | 0 | 0 | 0 | 111.6 | V328 C342 T343 H364 V365 | V328-D330 PolarHBondContact O-N 2.72Å; D330-C342 WeakPolarHBondContact OD1-CA 3.3Å; D330-T343 PolarHBondContact OD1-N 3.07Å; D330-T343 PolarHBondContact OD1-OG1 3.43Å; D330-T343 PolarHBondContact OD2-OG1 2.94Å; D330-H364 WeakPolarHBondContact O-CA 3.47Å; D330-H364 IonicContact OD2-CD2 2.96Å; D330-H364 IonicContact OD2-NE2 3.11Å; D330-H364 PolarHBondContact OD2-NE2 3.4Å; D330-V365 PolarHBondContact O-N 2.88Å | ||
| 331 | C | 89.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.2 | -175.7 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | T341 V363 | C331-T341 PolarHBondContact N-O 3.29Å; C331-V363 WeakPolarHBondContact CA-O 3.33Å; C331-V363 PolarHBondContact SG-O 3.36Å; C331-V363 VanDerWaalsContact SG-O 3.42Å |
| 332 | V | 92.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 50 Ų | 50 | 16% | 0.158 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.2 | 171 | 66.3 | 0 | 0 | 0 | 0 | 110.8 | L339 V363 V365 | V332-L339 HydrophobicContact CB-CG 4.23Å; V332-L339 HydrophobicContact CG2-CD1 4.15Å; V332-L339 HydrophobicContact CG2-CG 4.34Å; V332-V363 HydrophobicContact CG1-CB 4.19Å; V332-V363 PolarHBondContact N-O 3.09Å; V332-V363 PolarHBondContact O-N 3.29Å; V332-V365 HydrophobicContact CB-CG2 3.8Å; V332-V365 HydrophobicContact CG1-CG2 3.51Å |
| 333 | L | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.5 | 173.9 | -53.6 | 178 | 0 | 0 | 0 | 109.3 | G337 H338 V340 M349 C352 V359 A362 | L333-G337 WeakPolarHBondContact O-CA 3.2Å; L333-G337 PolarHBondContact O-N 3.5Å; L333-H338 PolarHBondContact N-O 3.47Å; L333-V340 HydrophobicContact CD1-CG1 4.43Å; L333-M349 HydrophobicContact CD1-CE 4.43Å; L333-M349 HydrophobicContact CD1-SD 3.84Å; L333-M349 HydrophobicContact CD2-CG 4.38Å; L333-M349 HydrophobicContact CD2-SD 3.77Å; L333-M349 HydrophobicContact CG-SD 4.44Å; L333-C352 HydrophobicContact CD1-CB 3.97Å; L333-V359 HydrophobicContact CB-CG1 4.41Å; L333-V359 HydrophobicContact CB-CG2 4.3Å; L333-V359 HydrophobicContact CD1-CG2 3.94Å; L333-V359 HydrophobicContact CD2-CG1 3.91Å; L333-V359 HydrophobicContact CD2-CG2 4.23Å; L333-V359 HydrophobicContact CG-CG2 4.38Å; L333-A362 HydrophobicContact CD2-CB 4.42Å |
| 334 | L | 84.5 | Confident | 89.4 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 156.7 | 180 | -71.4 | 166.2 | 0 | 0 | 0 | 111.5 | C336 R361 V363 | L334-C336 VanDerWaalsContact C-N 3.25Å; L334-C336 PolarHBondContact O-N 3.36Å; L334-R361 HydrophobicContact CB-CB 4.3Å; L334-R361 VanDerWaalsContact CB-O 3.31Å; L334-R361 WeakPolarHBondContact CB-O 3.22Å; L334-R361 HydrophobicContact CD1-CB 3.8Å; L334-R361 HydrophobicContact CD1-CG 4.24Å; L334-R361 VanDerWaalsContact CD1-NE 3.25Å; L334-R361 PolarHBondContact N-O 2.65Å; L334-V363 HydrophobicContact CD1-CG2 3.45Å; L334-V363 VanDerWaalsContact CD1-CG2 3.45Å; L334-V363 HydrophobicContact CG-CG2 4.22Å |
| 335 | E | 84.8 | Confident | 89.5 | Confident | 129 Ų | 129 | 42.1 Ų | 42.1 | 60% | 0.603 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -37.6 | -165.2 | -52.2 | -165.9 | 156.8 | 0 | 0 | 115.6 | V360 | E335-V360 HydrophobicContact CG-CB 4.22Å; E335-V360 HydrophobicContact CG-CG2 4.23Å; E335-V360 WeakPolarHBondContact OE1-CG2 3.49Å; E335-V360 WeakPolarHBondContact OE2-CG2 3.49Å |
| 336 | C | 89.8 | Confident | 89.7 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -21.1 | 179.6 | 69.8 | 0 | 0 | 0 | 0 | 114.8 | L334 H338 C355 Q357 | L334-C336 VanDerWaalsContact C-N 3.25Å; L334-C336 PolarHBondContact O-N 3.36Å; C336-H338 VanDerWaalsContact C-N 3.3Å; C336-H338 PolarHBondContact O-N 3.28Å; C336-H338 PolarHBondContact SG-ND1 2.96Å; C336-H338 VanDerWaalsContact SG-ND1 3.42Å; C336-C355 VanDerWaalsContact CB-SG 3.52Å; C336-Q357 HydrophobicContact CB-CB 4.05Å; C336-Q357 HydrophobicContact CB-CG 4.27Å |
| 337 | G | 87.9 | Confident | 89.9 | Confident | 42 Ų | 42 | 33.6 Ų | 33.6 | 43% | 0.433 | 19% | 0.187 | S | C | . | . | trans | 72.2 | 14 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L333 L339 | L333-G337 WeakPolarHBondContact O-CA 3.2Å; L333-G337 PolarHBondContact O-N 3.5Å; G337-L339 WeakPolarHBondContact O-CD1 3.46Å | ||
| 338 | H | 92.1 | Very high | 90.2 | Very high | 58 Ų | 58 | 41.7 Ų | 41.7 | 27% | 0.269 | 21% | 0.214 | S | C | . | . | trans | -79.6 | 128.4 | -179.2 | -64.6 | 100.7 | 0 | 0 | 0 | 111.7 | L333 C336 C352 I354 C355 | L333-H338 PolarHBondContact N-O 3.47Å; C336-H338 VanDerWaalsContact C-N 3.3Å; C336-H338 PolarHBondContact O-N 3.28Å; C336-H338 PolarHBondContact SG-ND1 2.96Å; C336-H338 VanDerWaalsContact SG-ND1 3.42Å; H338-C352 PolarHBondContact ND1-SG 3.24Å; H338-C352 VanDerWaalsContact ND1-SG 3.38Å; H338-I354 HydrophobicContact CB-CG1 4.32Å; H338-C355 PolarHBondContact CE1-SG 2.84Å; H338-C355 PolarHBondContact ND1-SG 2.92Å | ||
| 339 | L | 91.4 | Very high | 90 | Very high | 101 Ų | 101 | 42 Ų | 42 | 53% | 0.529 | 21% | 0.214 | S | C | . | . | trans | -99.5 | 94.4 | 172.7 | -68.5 | 91.2 | 0 | 0 | 0 | 108.9 | I329 V332 G337 | I329-L339 VanDerWaalsContact CG2-C 3.49Å; I329-L339 HydrophobicContact CG2-CB 3.82Å; V332-L339 HydrophobicContact CB-CG 4.23Å; V332-L339 HydrophobicContact CG2-CD1 4.15Å; V332-L339 HydrophobicContact CG2-CG 4.34Å; G337-L339 WeakPolarHBondContact O-CD1 3.46Å | ||
| 340 | V | 91.4 | Very high | 89.9 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | trans | -137.1 | -14.2 | -173.1 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | R322 L333 P353 I354 | R322-V340 HydrophobicContact CB-CG2 3.86Å; R322-V340 HydrophobicContact CG-CG2 3.67Å; R322-V340 PolarHBondContact N-O 2.92Å; L333-V340 HydrophobicContact CD1-CG1 4.43Å; V340-P353 HydrophobicContact CB-CG 4.36Å; V340-P353 HydrophobicContact CG1-CG 3.42Å; V340-P353 VanDerWaalsContact CG1-CG 3.42Å; V340-P353 HydrophobicContact CG2-CG 3.99Å; V340-I354 HydrophobicContact CB-CG1 4.28Å; V340-I354 HydrophobicContact CG1-CG1 4.32Å; V340-I354 HydrophobicContact CG2-CD1 3.94Å; V340-I354 HydrophobicContact CG2-CG1 4.2Å | ||
| 341 | T | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -125.6 | 151.5 | -174.3 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | I323 C331 C345 M349 | I323-T341 HydrophobicContact CD1-CG2 4.41Å; I323-T341 HydrophobicContact CG1-CG2 3.54Å; C331-T341 PolarHBondContact N-O 3.29Å; T341-C345 HydrophobicContact CG2-CB 4.39Å; T341-M349 HydrophobicContact CG2-CE 3.73Å; T341-M349 HydrophobicContact CG2-SD 3.56Å; T341-M349 VanDerWaalsContact CG2-SD 3.56Å |
| 342 | C | 92.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | trans | -69.1 | 164.1 | 160.1 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | C321 A327 V328 D330 D344 C345 G346 | C321-C342 HydrophobicContact CB-CB 3.8Å; C321-C342 PolarHBondContact SG-N 3.3Å; C321-C342 VanDerWaalsContact SG-SG 3.63Å; A327-C342 HydrophobicContact CB-CB 3.72Å; V328-C342 VanDerWaalsContact O-CB 3.26Å; V328-C342 WeakPolarHBondContact O-CB 3.25Å; D330-C342 WeakPolarHBondContact OD1-CA 3.3Å; C342-D344 VanDerWaalsContact C-N 3.27Å; C342-D344 PolarHBondContact O-N 2.89Å; C342-C345 PolarHBondContact O-N 2.86Å; C342-C345 VanDerWaalsContact O-N 3.13Å; C342-C345 PolarHBondContact SG-N 3.32Å; C342-C345 VanDerWaalsContact SG-N 3.44Å; C342-G346 PolarHBondContact O-N 2.89Å | ||
| 343 | T | 91 | Very high | 90 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | -177.5 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | N262 F263 D330 C345 G346 K347 H364 | N262-T343 WeakPolarHBondContact O-CG2 3.41Å; F263-T343 HydrophobicContact CD2-CG2 4.27Å; D330-T343 PolarHBondContact OD1-N 3.07Å; D330-T343 PolarHBondContact OD1-OG1 3.43Å; D330-T343 PolarHBondContact OD2-OG1 2.94Å; T343-C345 PolarHBondContact O-N 3.44Å; T343-G346 PolarHBondContact O-N 3.44Å; T343-K347 WeakPolarHBondContact O-CG 2.98Å; T343-K347 PolarHBondContact O-N 2.8Å; T343-H364 HydrophobicContact CG2-CB 4.44Å; T343-H364 PolarHBondContact OG1-CD2 2.74Å |
| 344 | D | 90.4 | Very high | 89.9 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.7 | -32 | -179.7 | -67.2 | -34.9 | 0 | 0 | 0 | 114.3 | C342 K347 R348 | C342-D344 VanDerWaalsContact C-N 3.27Å; C342-D344 PolarHBondContact O-N 2.89Å; D344-K347 WeakPolarHBondContact OD1-CE 3.48Å; D344-K347 IonicContact OD1-NZ 2.86Å; D344-K347 PolarHBondContact OD1-NZ 3.15Å; D344-R348 PolarHBondContact O-NE 3.42Å |
| 345 | C | 92.2 | Very high | 90.2 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -77.4 | -38.1 | 172.3 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | C321 I323 C324 T341 C342 T343 K347 R348 | C321-C345 VanDerWaalsContact SG-SG 3.66Å; I323-C345 HydrophobicContact CB-CB 3.91Å; I323-C345 HydrophobicContact CG1-CB 4.27Å; I323-C345 HydrophobicContact CG2-CB 4.13Å; C324-C345 VanDerWaalsContact CB-SG 3.59Å; T341-C345 HydrophobicContact CG2-CB 4.39Å; C342-C345 PolarHBondContact O-N 2.86Å; C342-C345 VanDerWaalsContact O-N 3.13Å; C342-C345 PolarHBondContact SG-N 3.32Å; C342-C345 VanDerWaalsContact SG-N 3.44Å; T343-C345 PolarHBondContact O-N 3.44Å; C345-K347 VanDerWaalsContact C-N 3.3Å; C345-K347 PolarHBondContact O-N 3.12Å; C345-R348 PolarHBondContact O-N 3.38Å |
| 346 | G | 90.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.6 | -37.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C342 T343 R348 M349 | C342-G346 PolarHBondContact O-N 2.89Å; T343-G346 PolarHBondContact O-N 3.44Å; G346-R348 PolarHBondContact O-N 3.13Å; G346-M349 WeakPolarHBondContact O-CG 3.31Å |
| 347 | K | 87.7 | Confident | 90.6 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29 | 178.6 | -32.8 | -178.4 | 165.5 | 160.8 | 0 | 113.2 | R261 F263 T343 D344 C345 | R261-K347 WeakPolarHBondContact O-CE 3.4Å; R261-K347 PolarHBondContact O-NZ 2.69Å; F263-K347 HydrophobicContact CD2-CD 4.01Å; F263-K347 HydrophobicContact CD2-CG 3.86Å; F263-K347 HydrophobicContact CE2-CB 3.7Å; F263-K347 HydrophobicContact CE2-CD 3.41Å; F263-K347 VanDerWaalsContact CE2-CD 3.41Å; F263-K347 HydrophobicContact CE2-CG 3.26Å; F263-K347 HydrophobicContact CZ-CB 3.88Å; F263-K347 HydrophobicContact CZ-CD 4.39Å; F263-K347 HydrophobicContact CZ-CG 3.96Å; T343-K347 WeakPolarHBondContact O-CG 2.98Å; T343-K347 PolarHBondContact O-N 2.8Å; D344-K347 WeakPolarHBondContact OD1-CE 3.48Å; D344-K347 IonicContact OD1-NZ 2.86Å; D344-K347 PolarHBondContact OD1-NZ 3.15Å; C345-K347 VanDerWaalsContact C-N 3.3Å; C345-K347 PolarHBondContact O-N 3.12Å |
| 348 | R | 89.8 | Confident | 90.8 | Very high | 190 Ų | 190 | 68.6 Ų | 68.6 | 72% | 0.717 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -0.4 | -168.4 | -65.8 | -174.6 | -70.7 | 175 | 2.6 | 113 | D344 C345 G346 | D344-R348 PolarHBondContact O-NE 3.42Å; C345-R348 PolarHBondContact O-N 3.38Å; G346-R348 PolarHBondContact O-N 3.13Å |
| 349 | M | 85.9 | Confident | 90.7 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 15% | 0.148 | 31% | 0.314 | C | S | . | . | trans | -110.9 | 139.5 | -172.6 | 75.9 | -166.8 | -38.4 | 0 | 0 | 112.5 | L333 T341 G346 Q351 P353 V359 | L333-M349 HydrophobicContact CD1-CE 4.43Å; L333-M349 HydrophobicContact CD1-SD 3.84Å; L333-M349 HydrophobicContact CD2-CG 4.38Å; L333-M349 HydrophobicContact CD2-SD 3.77Å; L333-M349 HydrophobicContact CG-SD 4.44Å; T341-M349 HydrophobicContact CG2-CE 3.73Å; T341-M349 HydrophobicContact CG2-SD 3.56Å; T341-M349 VanDerWaalsContact CG2-SD 3.56Å; G346-M349 WeakPolarHBondContact O-CG 3.31Å; M349-Q351 WeakPolarHBondContact CE-O 3.5Å; M349-P353 HydrophobicContact CE-CG 3.99Å; M349-V359 HydrophobicContact CG-CG2 4.34Å | ||
| 350 | N | 89.1 | Confident | 90.4 | Very high | 108 Ų | 108 | 65.7 Ų | 65.7 | 58% | 0.578 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -105.5 | -10.7 | -179.9 | -59.3 | -16.6 | 0 | 0 | 0 | 112.5 | Y358 V359 | N350-Y358 HydrophobicContact CB-CE2 4.19Å; N350-Y358 WeakPolarHBondContact O-CA 3.2Å; N350-Y358 WeakPolarHBondContact O-CD2 3.4Å; N350-V359 PolarHBondContact O-N 3.24Å |
| 351 | Q | 92.9 | Very high | 90.2 | Very high | 118 Ų | 118 | 71.3 Ų | 71.3 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | B | Isolated β-bridge | trans | -139.5 | 142.5 | 178.7 | -67.8 | -180 | 10.9 | 0 | 0 | 110.3 | M349 Q357 | M349-Q351 WeakPolarHBondContact CE-O 3.5Å; Q351-Q357 CarbonylContact C-O 3.58Å; Q351-Q357 WeakPolarHBondContact CA-O 3.32Å |
| 352 | C | 91.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | trans | -66.5 | 132.8 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | L333 H338 I354 C355 R356 Q357 | L333-C352 HydrophobicContact CD1-CB 3.97Å; H338-C352 PolarHBondContact ND1-SG 3.24Å; H338-C352 VanDerWaalsContact ND1-SG 3.38Å; C352-I354 PolarHBondContact O-N 3.04Å; C352-I354 PolarHBondContact SG-N 3.44Å; C352-C355 VanDerWaalsContact SG-SG 3.64Å; C352-R356 WeakPolarHBondContact O-CA 3.46Å; C352-R356 PolarHBondContact O-N 3.43Å; C352-Q357 PolarHBondContact N-O 2.76Å | ||
| 353 | P | 88.5 | Confident | 89.8 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -15.6 | -177.3 | 31.3 | -32.1 | 0 | 0 | 0 | 112.1 | I323 V340 M349 | I323-P353 HydrophobicContact CD1-CB 4.42Å; I323-P353 HydrophobicContact CD1-CG 4.42Å; V340-P353 HydrophobicContact CB-CG 4.36Å; V340-P353 HydrophobicContact CG1-CG 3.42Å; V340-P353 VanDerWaalsContact CG1-CG 3.42Å; V340-P353 HydrophobicContact CG2-CG 3.99Å; M349-P353 HydrophobicContact CE-CG 3.99Å |
| 354 | I | 90.8 | Very high | 89.6 | Confident | 104 Ų | 104 | 73.1 Ų | 73.1 | 53% | 0.533 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -57.1 | 178.2 | -53.8 | -56.6 | 0 | 0 | 0 | 110.8 | H338 V340 C352 | H338-I354 HydrophobicContact CB-CG1 4.32Å; V340-I354 HydrophobicContact CB-CG1 4.28Å; V340-I354 HydrophobicContact CG1-CG1 4.32Å; V340-I354 HydrophobicContact CG2-CD1 3.94Å; V340-I354 HydrophobicContact CG2-CG1 4.2Å; C352-I354 PolarHBondContact O-N 3.04Å; C352-I354 PolarHBondContact SG-N 3.44Å |
| 355 | C | 91.4 | Very high | 89.5 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -0.4 | -170.2 | 70.9 | 0 | 0 | 0 | 0 | 114.6 | C336 H338 C352 Q357 | C336-C355 VanDerWaalsContact CB-SG 3.52Å; H338-C355 PolarHBondContact CE1-SG 2.84Å; H338-C355 PolarHBondContact ND1-SG 2.92Å; C352-C355 VanDerWaalsContact SG-SG 3.64Å; C355-Q357 PolarHBondContact O-N 3.38Å; C355-Q357 WeakPolarHBondContact SG-CB 3.49Å |
| 356 | R | 92.6 | Very high | 89 | Confident | 204 Ų | 204 | 73.6 Ų | 73.6 | 77% | 0.77 | 35% | 0.346 | S | S | * | . | trans | 58.9 | 8.4 | -178.6 | -52.9 | -177.2 | -178.7 | -150.3 | -0.5 | 115.5 | C352 | C352-R356 WeakPolarHBondContact O-CA 3.46Å; C352-R356 PolarHBondContact O-N 3.43Å | ||
| 357 | Q | 90.3 | Very high | 87.9 | Confident | 97 Ų | 97 | 79 Ų | 79 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | trans | -61.4 | 140.9 | 172.1 | -172.3 | 65 | 19.2 | 0 | 0 | 109.8 | C336 Q351 C352 C355 V359 | C336-Q357 HydrophobicContact CB-CB 4.05Å; C336-Q357 HydrophobicContact CB-CG 4.27Å; Q351-Q357 CarbonylContact C-O 3.58Å; Q351-Q357 WeakPolarHBondContact CA-O 3.32Å; C352-Q357 PolarHBondContact N-O 2.76Å; C355-Q357 PolarHBondContact O-N 3.38Å; C355-Q357 WeakPolarHBondContact SG-CB 3.49Å; Q357-V359 PolarHBondContact O-N 2.8Å | ||
| 358 | Y | 92.3 | Very high | 86.1 | Confident | 135 Ų | 135 | 85 Ų | 85 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -60.8 | 134.4 | 175.2 | -173.3 | -99.4 | 0 | 0 | 0 | 110.5 | N350 V360 | N350-Y358 HydrophobicContact CB-CE2 4.19Å; N350-Y358 WeakPolarHBondContact O-CA 3.2Å; N350-Y358 WeakPolarHBondContact O-CD2 3.4Å; Y358-V360 HydrophobicContact CD1-CG2 3.8Å; Y358-V360 HydrophobicContact CE1-CG2 4.15Å; Y358-V360 PolarHBondContact O-N 2.92Å |
| 359 | V | 89.3 | Confident | 85.9 | Confident | 13 Ų | 13 | 79.8 Ų | 79.8 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | trans | -89.8 | 104 | 179.3 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | L333 M349 N350 Q357 | L333-V359 HydrophobicContact CB-CG1 4.41Å; L333-V359 HydrophobicContact CB-CG2 4.3Å; L333-V359 HydrophobicContact CD1-CG2 3.94Å; L333-V359 HydrophobicContact CD2-CG1 3.91Å; L333-V359 HydrophobicContact CD2-CG2 4.23Å; L333-V359 HydrophobicContact CG-CG2 4.38Å; M349-V359 HydrophobicContact CG-CG2 4.34Å; N350-V359 PolarHBondContact O-N 3.24Å; Q357-V359 PolarHBondContact O-N 2.8Å | ||
| 360 | V | 85.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 52% | 0.521 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -76.2 | -36.1 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | E335 Y358 | E335-V360 HydrophobicContact CG-CB 4.22Å; E335-V360 HydrophobicContact CG-CG2 4.23Å; E335-V360 WeakPolarHBondContact OE1-CG2 3.49Å; E335-V360 WeakPolarHBondContact OE2-CG2 3.49Å; Y358-V360 HydrophobicContact CD1-CG2 3.8Å; Y358-V360 HydrophobicContact CE1-CG2 4.15Å; Y358-V360 PolarHBondContact O-N 2.92Å |
| 361 | R | 86.3 | Confident | 85.7 | Confident | 127 Ų | 127 | 80.9 Ų | 80.9 | 48% | 0.479 | 41% | 0.407 | S | S | . | . | trans | -156.9 | 139.6 | -177.5 | -152.1 | 171.1 | 72.3 | 124.8 | 3.1 | 111.2 | L334 | L334-R361 HydrophobicContact CB-CB 4.3Å; L334-R361 VanDerWaalsContact CB-O 3.31Å; L334-R361 WeakPolarHBondContact CB-O 3.22Å; L334-R361 HydrophobicContact CD1-CB 3.8Å; L334-R361 HydrophobicContact CD1-CG 4.24Å; L334-R361 VanDerWaalsContact CD1-NE 3.25Å; L334-R361 PolarHBondContact N-O 2.65Å | ||
| 362 | A | 87.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 142 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | F263 L333 | F263-A362 WeakPolarHBondContact CB-O 3.22Å; F263-A362 HydrophobicContact CD1-CB 4.31Å; F263-A362 VanDerWaalsContact CD1-O 3.29Å; F263-A362 WeakPolarHBondContact CD1-O 3.29Å; L333-A362 HydrophobicContact CD2-CB 4.42Å |
| 363 | V | 88.8 | Confident | 84.9 | Confident | 28 Ų | 28 | 83.6 Ų | 83.6 | 17% | 0.17 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.2 | 176 | 176 | 0 | 0 | 0 | 0 | 109.3 | C331 V332 L334 | C331-V363 WeakPolarHBondContact CA-O 3.33Å; C331-V363 PolarHBondContact SG-O 3.36Å; C331-V363 VanDerWaalsContact SG-O 3.42Å; V332-V363 HydrophobicContact CG1-CB 4.19Å; V332-V363 PolarHBondContact N-O 3.09Å; V332-V363 PolarHBondContact O-N 3.29Å; L334-V363 HydrophobicContact CD1-CG2 3.45Å; L334-V363 VanDerWaalsContact CD1-CG2 3.45Å; L334-V363 HydrophobicContact CG-CG2 4.22Å |
| 364 | H | 88.6 | Confident | 84.6 | Confident | 12 Ų | 12 | 84.9 Ų | 84.9 | 6% | 0.056 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129.4 | 172.3 | -174.3 | -63.2 | 0 | 0 | 0 | 109.8 | N262 F263 V264 E285 D330 T343 | N262-H364 VanDerWaalsContact O-CB 3.27Å; N262-H364 WeakPolarHBondContact O-CB 3.3Å; F263-H364 PolarHBondContact O-N 2.76Å; V264-H364 HydrophobicContact CG2-CB 3.91Å; E285-H364 IonicContact OE2-CE1 2.74Å; E285-H364 PolarHBondContact OE2-CE1 2.76Å; E285-H364 VanDerWaalsContact OE2-CE1 3.28Å; D330-H364 WeakPolarHBondContact O-CA 3.47Å; D330-H364 IonicContact OD2-CD2 2.96Å; D330-H364 IonicContact OD2-NE2 3.11Å; D330-H364 PolarHBondContact OD2-NE2 3.4Å; T343-H364 HydrophobicContact CG2-CB 4.44Å; T343-H364 PolarHBondContact OG1-CD2 2.74Å |
| 365 | V | 88 | Confident | 84.2 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 130.4 | 177.6 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | D330 V332 | D330-V365 PolarHBondContact O-N 2.88Å; V332-V365 HydrophobicContact CB-CG2 3.8Å; V332-V365 HydrophobicContact CG1-CG2 3.51Å |
| 366 | F | 80.9 | Confident | 83.6 | Confident | 41 Ų | 41 | 85.8 Ų | 85.8 | 18% | 0.18 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 123.4 | 173.2 | -61.9 | -85.1 | 0 | 0 | 0 | 108.6 | V264 R281 L282 E285 C368 | V264-F366 HydrophobicContact CG1-CE2 3.92Å; V264-F366 HydrophobicContact CG1-CZ 3.8Å; V264-F366 HydrophobicContact CG2-CE2 4.41Å; V264-F366 HydrophobicContact CG2-CZ 3.9Å; R281-F366 HydrophobicContact CB-CD1 4.36Å; R281-F366 HydrophobicContact CB-CE1 4.11Å; R281-F366 HydrophobicContact CG-CD1 3.59Å; R281-F366 HydrophobicContact CG-CE1 3.84Å; R281-F366 HydrophobicContact CG-CG 4.38Å; R281-F366 VanDerWaalsContact NE-CD1 3.28Å; R281-F366 VanDerWaalsContact NH2-CE2 3.27Å; L282-F366 HydrophobicContact CB-CE1 4.14Å; E285-F366 WeakPolarHBondContact OE2-CA 3.36Å; E285-F366 WeakPolarHBondContact OE2-CD1 3.49Å; F366-C368 PolarHBondContact O-N 2.88Å |
| 367 | K | 68.6 | Low | 82.9 | Confident | 116 Ų | 116 | 75.9 Ų | 75.9 | 50% | 0.504 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 120.8 | 167.5 | -73.8 | 179.4 | 174.2 | 124.9 | 0 | 108.7 | E285 I329 | E285-K367 PolarHBondContact OE1-N 3.14Å; I329-K367 PolarHBondContact O-NZ 3.21Å |
| 368 | C | 48.4 | Very low | 82.2 | Confident | 198 Ų | 198 | 74 Ų | 74 | 100% | 1.338 | 38% | 0.383 | S | S | * | . | trans | -68.3 | 0 | 174.3 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | F366 | F366-C368 PolarHBondContact O-N 2.88Š|
Retrieved 368 of 368 residues in 106 ms
(Link to these results)