| 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 | 52.3 | Low | 46.2 | Very low | 235 Ų | 235 | 150.5 Ų | 150.5 | 100% | 1.158 | 84% | 0.836 | S | S | * | * | 0 | 65.6 | 0 | -57.3 | -169.5 | -158.3 | 0 | 0 | 106.8 | |||||
| 2 | E | 38.4 | Very low | 46.1 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | 65.6 | 102.6 | 83.1 | -68.3 | -178.2 | 171.5 | 0 | 0 | 112.4 | |||||
| 3 | N | 49.7 | Very low | 46.4 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | trans | 170.8 | 93.5 | 139.1 | -84.9 | -10.9 | 0 | 0 | 0 | 108.2 | ||||
| 4 | L | 44.8 | Very low | 46.8 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | 87.1 | 91.3 | 91.7 | -84.7 | 161.4 | 0 | 0 | 0 | 112.3 | |||||
| 5 | M | 40.2 | Very low | 46.8 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 95% | 0.946 | 82% | 0.821 | S | S | * | * | trans | -92.8 | 121.4 | 163.7 | -71.6 | -162.1 | 168.9 | 0 | 0 | 109.7 | ||||
| 6 | T | 48.4 | Very low | 46.4 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 72% | 0.718 | 83% | 0.825 | S | S | * | * | trans | -154 | 112.5 | 160.7 | 54.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 7 | S | 42.9 | Very low | 46.9 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | 115 | 119.9 | 82 | 61.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 8 | S | 49.9 | Very low | 46.6 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | 178.5 | 128.6 | 115 | -164.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 9 | T | 39.7 | Very low | 46.9 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | trans | -98 | 139.5 | -172.8 | -63.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 10 | L | 52.1 | Low | 46.9 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -138.4 | 134.7 | 153.7 | -81.1 | 175.6 | 0 | 0 | 0 | 110.6 | ||||
| 11 | P | 49.8 | Very low | 46.9 | Very low | 99 Ų | 99 | 147 Ų | 147 | 64% | 0.643 | 82% | 0.821 | S | S | * | * | trans | -94.9 | 164.7 | -171.1 | 37.8 | -34.1 | 0 | 0 | 0 | 113.6 | ||||
| 12 | P | 45.1 | Very low | 46.5 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -88.3 | 138.9 | 177.8 | 35.1 | -29.2 | 0 | 0 | 0 | 110.8 | ||||
| 13 | L | 50.4 | Low | 46.7 | Very low | 141 Ų | 141 | 141 Ų | 141 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -126.9 | 130.7 | -178.8 | -143 | 75.9 | 0 | 0 | 0 | 111.8 | ||||
| 14 | F | 51.4 | Low | 46.7 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | 91.6 | 88.4 | 166.2 | -69.2 | -72.1 | 0 | 0 | 0 | 119.3 | ||||
| 15 | A | 46.7 | Very low | 46.5 | Very low | 89 Ų | 89 | 142 Ų | 142 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -72.9 | 158.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 16 | D | 40.8 | Very low | 46.8 | Very low | 166 Ų | 166 | 141 Ų | 141 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -52.6 | 137.2 | 179.1 | -53.3 | -85.1 | 0 | 0 | 0 | 114.4 | ||||
| 17 | E | 54.4 | Low | 46.3 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -124.9 | 104 | 158 | -133.5 | -167.8 | 152.4 | 0 | 0 | 109.1 | ||||
| 18 | D | 42.6 | Very low | 46.3 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -84.6 | 118.3 | 166.7 | -179 | 13.3 | 0 | 0 | 0 | 107.9 | ||||
| 19 | G | 52.3 | Low | 45.9 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -136.2 | 85.7 | -175 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 20 | S | 45.6 | Very low | 46.1 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -56 | 134.5 | 169.7 | -62.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 21 | K | 48.1 | Very low | 45.7 | Very low | 202 Ų | 202 | 138.1 Ų | 138.1 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | 172.8 | 136.5 | 114.6 | -99.3 | 170.9 | 176.6 | 165.9 | 0 | 114.3 | |||||
| 22 | E | 43.1 | Very low | 45.5 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -57 | 153.5 | 168.3 | -63.9 | 158.9 | 106.8 | 0 | 0 | 113.8 | ||||
| 23 | S | 42.7 | Very low | 45.5 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | 137.8 | 115.4 | 130.9 | -60 | 0 | 0 | 0 | 0 | 111 | ||||
| 24 | N | 49.8 | Very low | 45.4 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -177.6 | 93.2 | 136.1 | -91.2 | -24.5 | 0 | 0 | 0 | 109.6 | ||||
| 25 | D | 40 | Very low | 45 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -79 | 128.6 | 147.1 | -83.6 | -56.9 | 0 | 0 | 0 | 107.8 | ||||
| 26 | L | 48 | Very low | 45 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -154.3 | 101.8 | 148.4 | -132.3 | 85.8 | 0 | 0 | 0 | 109.3 | ||||
| 27 | A | 37.4 | Very low | 45.1 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -65.1 | 151.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 28 | T | 41.7 | Very low | 44.5 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 173.3 | 106.7 | 133.5 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 29 | T | 42.1 | Very low | 44.6 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | 45.5 | 130.6 | 140.5 | 68 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 30 | G | 44.1 | Very low | 43.9 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -163.5 | 90.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | L | 43.7 | Very low | 43.5 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 132.9 | 169.8 | -76.9 | 151.4 | 0 | 0 | 0 | 111.1 | ||||
| 32 | N | 45.8 | Very low | 42.9 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | 166.1 | 143.5 | 111.6 | -102.8 | -3.4 | 0 | 0 | 0 | 113.5 | |||||
| 33 | H | 45.1 | Very low | 42.8 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -85.9 | -165 | -174.3 | -139.3 | -36.4 | 0 | 0 | 0 | 110.7 | ||||
| 34 | P | 48 | Very low | 42.6 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 60% | 0.597 | 81% | 0.809 | S | S | * | * | -122.3 | 176.2 | -53.1 | 2.3 | 21.1 | 0 | 0 | 0 | 116 | |||||
| 35 | E | 42.2 | Very low | 41.8 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 65.1 | 112.5 | 140.8 | -55.2 | -113.7 | 130.6 | 0 | 0 | 121.4 | ||||
| 36 | V | 47.3 | Very low | 41.8 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | -164.5 | 137.7 | 123.1 | -99.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 37 | P | 42.4 | Very low | 41.3 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -109.2 | 131.9 | -177.9 | 36.5 | -25.7 | 0 | 0 | 0 | 113.1 | ||||
| 38 | Y | 42.7 | Very low | 41.5 | Very low | 233 Ų | 233 | 130.2 Ų | 130.2 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | -164.6 | 108.3 | 158.4 | -101.4 | -82.4 | 0 | 0 | 0 | 107.4 | ||||
| 39 | S | 43.9 | Very low | 41.3 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | 90.1 | 121.7 | 90.1 | -170.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 40 | S | 39.3 | Very low | 41 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 63.4 | 110 | 147 | 60 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 41 | G | 36.7 | Very low | 40.7 | Very low | 77 Ų | 77 | 136.7 Ų | 136.7 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -175 | 78.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 42 | A | 35.3 | Very low | 40.8 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 123.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 43 | T | 41.4 | Very low | 40.4 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -144.4 | 92.7 | 152.8 | 50.5 | 0 | 0 | 0 | 0 | 109 | S45 | T43-S45 PolarHBondContact O-N 3.43Å; T43-S45 VanDerWaalsContact O-N 3.14Å | ||
| 44 | S | 37 | Very low | 39.8 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -73.7 | 98.7 | 169.8 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 45 | S | 34.1 | Very low | 39.2 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -92.9 | 104.4 | 160.7 | -115.7 | 0 | 0 | 0 | 0 | 108 | T43 | T43-S45 PolarHBondContact O-N 3.43Å; T43-S45 VanDerWaalsContact O-N 3.14Å | ||
| 46 | T | 39.1 | Very low | 38.9 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -144.9 | 92.2 | 163.5 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | N48 | T46-N48 PolarHBondContact O-N 3.35Š| ||
| 47 | N | 37.8 | Very low | 38.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | trans | -66.7 | 108.8 | 153.2 | -84.4 | -58.3 | 0 | 0 | 0 | 108.1 | K255 | N47-K255 WeakPolarHBondContact OD1-CE 3.42Å; N47-K255 PolarHBondContact OD1-NZ 3.35Å | ||
| 48 | N | 42.5 | Very low | 37.8 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -164.9 | 104.4 | 150.5 | -147.6 | 13.7 | 0 | 0 | 0 | 110.8 | T46 | T46-N48 PolarHBondContact O-N 3.35Š| ||
| 49 | P | 36.2 | Very low | 37.2 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -116.4 | 83.3 | 161.5 | 35.4 | -19.9 | 0 | 0 | 0 | 108.2 | ||||
| 50 | E | 36.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | trans | -140.4 | 124.4 | 163.3 | -129.1 | -165.8 | 128.3 | 0 | 0 | 107.2 | ||||
| 51 | F | 37.3 | Very low | 36.6 | Very low | 213 Ų | 213 | 137.3 Ų | 137.3 | 93% | 0.934 | 79% | 0.794 | S | S | * | * | trans | 91.7 | 61.2 | -178.4 | -134.4 | -93.2 | 0 | 0 | 0 | 116.8 | ||||
| 52 | V | 45.3 | Very low | 36.6 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -109.3 | 136.4 | 152.4 | -67.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 53 | E | 37.3 | Very low | 36.5 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -36.6 | 129.7 | 175.5 | -66.6 | 158.3 | 149.9 | 0 | 0 | 114.4 | ||||
| 54 | D | 34.4 | Very low | 36.4 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -129 | 102.1 | 146.1 | -171 | 14 | 0 | 0 | 0 | 109.5 | S56 | D54-S56 PolarHBondContact OD1-N 3.21Š| ||
| 55 | L | 33.7 | Very low | 36.5 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -129.8 | 52.1 | 171.9 | -149.4 | 93.2 | 0 | 0 | 0 | 108.4 | ||||
| 56 | S | 35.7 | Very low | 36.6 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | -165.4 | 110 | 156.7 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | D54 | D54-S56 PolarHBondContact OD1-N 3.21Š| ||
| 57 | Q | 35.8 | Very low | 36.5 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | -172.6 | 100.9 | 128.2 | -104.8 | 166 | 40.1 | 0 | 0 | 110.4 | |||||
| 58 | G | 31.7 | Very low | 36.4 | Very low | 67 Ų | 67 | 141.7 Ų | 141.7 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -79.2 | 159.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 59 | Q | 31.1 | Very low | 36.2 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 75.5 | 108.5 | -178.7 | -62.4 | 176.9 | -18.1 | 0 | 0 | 114.9 | ||||
| 60 | L | 33.5 | Very low | 36.2 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | 175.7 | 108.8 | 101.7 | -162.2 | 69.6 | 0 | 0 | 0 | 109.3 | Q62 | L60-Q62 HydrophobicContact CD1-CG 4.47Š| |||
| 61 | L | 35 | Very low | 36.3 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | trans | -122 | 98.5 | 157.7 | -78.2 | 175.3 | 0 | 0 | 0 | 107.3 | ||||
| 62 | Q | 38 | Very low | 36.2 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -93.5 | 112.4 | 159.5 | -87.3 | -179.8 | 47 | 0 | 0 | 105.2 | L60 | L60-Q62 HydrophobicContact CD1-CG 4.47Š| ||
| 63 | S | 31.9 | Very low | 35.9 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | 86.9 | 99.2 | 91.3 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 64 | E | 40.9 | Very low | 35.9 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -147.1 | 94.9 | 147.3 | -69.3 | -167 | 109.1 | 0 | 0 | 105.6 | ||||
| 65 | S | 37.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | 75.7 | 97.3 | 90.3 | -70.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 66 | S | 37.2 | Very low | 36.2 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | 59 | 115 | 128.9 | 61.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 67 | N | 35.8 | Very low | 36.1 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | 165.3 | 151.8 | 93.2 | -95.4 | -28.9 | 0 | 0 | 0 | 114.9 | |||||
| 68 | A | 36.9 | Very low | 36.3 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 76 | 104.9 | 158 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 69 | A | 38 | Very low | 36.4 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | 73.8 | 137.5 | 79.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 70 | E | 36.5 | Very low | 36.7 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | cis | -173.3 | 156.3 | 3.5 | -111.5 | 175.9 | 171.5 | 0 | 0 | 105.8 | ||||
| 71 | G | 38.4 | Very low | 36.9 | Very low | 79 Ų | 79 | 148 Ų | 148 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 89.6 | 141.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 72 | N | 36.1 | Very low | 37.1 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -165.7 | 153.7 | 1.6 | -169.5 | 24.2 | 0 | 0 | 0 | 108.7 | ||||
| 73 | E | 37.4 | Very low | 36.9 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -2.2 | 151.6 | 151.9 | -70 | 170.1 | 92 | 0 | 0 | 118.9 | ||||
| 74 | Q | 37.4 | Very low | 37.1 | Very low | 127 Ų | 127 | 155 Ų | 155 | 59% | 0.593 | 79% | 0.794 | S | S | * | * | cis | -178.3 | 152 | 10.8 | -112 | 158.9 | -1.8 | 0 | 0 | 108.4 | ||||
| 75 | R | 33.7 | Very low | 37 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | trans | 52.6 | 125.1 | 140.7 | -58.1 | 163.3 | 175.9 | -107.1 | -1.8 | 120.1 | ||||
| 76 | H | 40.9 | Very low | 36.9 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | -177.9 | 142.3 | 80.9 | -111.1 | -75.9 | 0 | 0 | 0 | 110.4 | |||||
| 77 | E | 35 | Very low | 36.8 | Very low | 177 Ų | 177 | 155 Ų | 155 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -68.6 | 137.2 | 175.2 | -62 | 163.9 | 143.5 | 0 | 0 | 110.8 | ||||
| 78 | D | 38.7 | Very low | 37.5 | Very low | 172 Ų | 172 | 153 Ų | 153 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | trans | -141.6 | 107.9 | 153 | -106.5 | -33.1 | 0 | 0 | 0 | 109.9 | ||||
| 79 | E | 35 | Very low | 38.1 | Very low | 180 Ų | 180 | 158.7 Ų | 158.7 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -83.7 | 117.3 | 173.8 | -161 | -178.4 | -176.1 | 0 | 0 | 107.5 | ||||
| 80 | Q | 36.5 | Very low | 38.1 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 160.9 | 142.6 | 143.5 | -88.7 | 169.6 | 30.2 | 0 | 0 | 113.3 | ||||
| 81 | R | 37.2 | Very low | 38.8 | Very low | 231 Ų | 231 | 159.8 Ų | 159.8 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | 83.4 | 96.4 | 162.9 | -66.1 | 168.2 | 169.4 | -120.8 | -1.8 | 117.8 | ||||
| 82 | S | 40 | Very low | 39.6 | Very low | 115 Ų | 115 | 165.4 Ų | 165.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | 162.1 | 132 | 77.3 | 61 | 0 | 0 | 0 | 0 | 112.5 | R84 | S82-R84 PolarHBondContact O-N 2.88Š| |||
| 83 | K | 34.4 | Very low | 40.6 | Very low | 205 Ų | 205 | 170.7 Ų | 170.7 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | -58.9 | 114.2 | 169 | -64.9 | 165.6 | 174.6 | 172.5 | 0 | 110.5 | ||||
| 84 | R | 34.4 | Very low | 41.6 | Very low | 251 Ų | 251 | 172.9 Ų | 172.9 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | trans | -162.9 | 125.7 | 147.1 | -68.4 | -156.6 | 179.7 | -144.4 | -2.8 | 111.2 | S82 | S82-R84 PolarHBondContact O-N 2.88Š| ||
| 85 | G | 39.8 | Very low | 42.7 | Very low | 68 Ų | 68 | 175.8 Ų | 175.8 | 70% | 0.701 | 84% | 0.835 | S | S | * | * | trans | 149.1 | 46.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | W87 | G85-W87 PolarHBondContact O-N 3.48Š| ||
| 86 | G | 35.9 | Very low | 44 | Very low | 78 Ų | 78 | 172.5 Ų | 172.5 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -59.8 | 130.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S88 | G86-S88 PolarHBondContact O-N 3.3Š| ||
| 87 | W | 34.9 | Very low | 45.1 | Very low | 256 Ų | 256 | 168.5 Ų | 168.5 | 97% | 0.97 | 82% | 0.822 | S | S | * | * | trans | -62.7 | 104.4 | 173.2 | -73.5 | 45.1 | 0 | 0 | 0 | 109.2 | G85 K89 | G85-W87 PolarHBondContact O-N 3.48Å; W87-K89 PolarHBondContact O-N 3.44Å | ||
| 88 | S | 49.7 | Very low | 46.6 | Very low | 115 Ų | 115 | 166.2 Ų | 166.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -64.1 | 121.9 | 175.7 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | G86 G90 | G86-S88 PolarHBondContact O-N 3.3Å; S88-G90 PolarHBondContact O-N 3.2Å | ||
| 89 | K | 49.2 | Very low | 48.3 | Very low | 209 Ų | 209 | 159.1 Ų | 159.1 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -49.5 | 128.1 | 177.7 | -69.1 | -175.2 | 178.6 | 178.7 | 0 | 110.3 | W87 R91 | W87-K89 PolarHBondContact O-N 3.44Å; K89-R91 PolarHBondContact O-N 3.49Å | ||
| 90 | G | 38.8 | Very low | 50.4 | Low | 71 Ų | 71 | 156.1 Ų | 156.1 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | -44.3 | 120.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S88 K92 | S88-G90 PolarHBondContact O-N 3.2Å; G90-K92 PolarHBondContact O-N 2.96Å | ||
| 91 | R | 52.4 | Low | 52.5 | Low | 236 Ų | 236 | 153.2 Ų | 153.2 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -57.1 | 106.4 | 164.7 | -164.5 | 178.6 | -173 | -151.7 | 5.6 | 107.7 | K89 R93 | K89-R91 PolarHBondContact O-N 3.49Å; R91-R93 PolarHBondContact O-N 3.34Å | ||
| 92 | K | 53.7 | Low | 54.7 | Low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | trans | -48.4 | 112.1 | 176.3 | -70.9 | -166.1 | 176.7 | -177.2 | 0 | 108.7 | G90 K94 | G90-K92 PolarHBondContact O-N 2.96Å; K92-K94 PolarHBondContact O-N 2.65Å | ||
| 93 | R | 57 | Low | 56.9 | Low | 242 Ų | 242 | 138.9 Ų | 138.9 | 91% | 0.913 | 69% | 0.693 | S | S | * | * | trans | -54.5 | 114.4 | 172.7 | -73.8 | -178.6 | 173.9 | 167.9 | -2.2 | 106.8 | R91 K95 | R91-R93 PolarHBondContact O-N 3.34Å; R93-K95 PolarHBondContact O-N 2.79Å | ||
| 94 | K | 58.1 | Low | 59.6 | Low | 181 Ų | 181 | 135.8 Ų | 135.8 | 79% | 0.787 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.1 | 174.4 | -72.8 | -156.2 | 175.6 | -169.4 | 0 | 107 | K92 | K92-K94 PolarHBondContact O-N 2.65Š|
| 95 | K | 61 | Low | 62.2 | Low | 189 Ų | 189 | 127 Ų | 127 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 137.6 | 177.4 | -69.7 | 162.8 | 179.3 | 178.9 | 0 | 108.8 | R93 L97 | R93-K95 PolarHBondContact O-N 2.79Å; K95-L97 PolarHBondContact O-N 3.06Å |
| 96 | P | 60.9 | Low | 64.7 | Low | 118 Ų | 118 | 125.6 Ų | 125.6 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 140.8 | 174.1 | -19.2 | 27.9 | 0 | 0 | 0 | 109.2 | R98 | P96-R98 PolarHBondContact O-N 2.95Š|
| 97 | L | 63.9 | Low | 67.4 | Low | 76 Ų | 76 | 125.2 Ų | 125.2 | 40% | 0.398 | 61% | 0.614 | S | S | . | * | trans | -66 | 113.2 | 173 | -162.3 | 71 | 0 | 0 | 0 | 105.9 | K95 F179 K182 | K95-L97 PolarHBondContact O-N 3.06Å; L97-F179 HydrophobicContact CG-CE2 4.48Å; L97-F179 VanDerWaalsContact O-CZ 3.3Å; L97-F179 WeakPolarHBondContact O-CZ 3.44Å; L97-K182 HydrophobicContact CD2-CD 4.03Å; L97-K182 HydrophobicContact CD2-CG 4.37Å | ||
| 98 | R | 67 | Low | 70.2 | Confident | 128 Ų | 128 | 117 Ų | 117 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | trans | -97.5 | 127.7 | 176 | -168.5 | 169.9 | 178.5 | -102.6 | -19.4 | 106.5 | P96 S100 K104 | P96-R98 PolarHBondContact O-N 2.95Å; R98-S100 PolarHBondContact O-N 3.41Å; R98-K104 VanDerWaalsContact NH2-CD 3.3Å | ||
| 99 | D | 74.3 | Confident | 72.4 | Confident | 24 Ų | 24 | 111.6 Ų | 111.6 | 13% | 0.128 | 56% | 0.555 | C | S | . | * | trans | -64.3 | 135.8 | 170.5 | -157.7 | -32.3 | 0 | 0 | 0 | 108.5 | N101 A102 Y170 F179 | D99-N101 PolarHBondContact OD1-N 3.07Å; D99-A102 HydrophobicContact CB-CB 3.86Å; D99-Y170 WeakPolarHBondContact CB-OH 3.35Å; D99-Y170 VanDerWaalsContact CG-OH 3.23Å; D99-Y170 PolarHBondContact OD2-OH 3.27Å; D99-F179 HydrophobicContact CB-CB 4.5Å; D99-F179 HydrophobicContact CB-CD1 4.32Å; D99-F179 HydrophobicContact CB-CD2 3.49Å; D99-F179 VanDerWaalsContact CB-CD2 3.49Å; D99-F179 HydrophobicContact CB-CE1 4.46Å; D99-F179 HydrophobicContact CB-CE2 3.67Å; D99-F179 HydrophobicContact CB-CG 3.85Å; D99-F179 HydrophobicContact CB-CZ 4.16Å; D99-F179 VanDerWaalsContact N-CE2 3.34Å; D99-F179 WeakPolarHBondContact OD2-CB 3.34Å; D99-F179 WeakPolarHBondContact OD2-CD2 3.47Å; D99-F179 WeakPolarHBondContact OD2-CG 3.33Å | ||
| 100 | S | 80.2 | Confident | 74.5 | Confident | 117 Ų | 117 | 105.8 Ų | 105.8 | 82% | 0.818 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -70.4 | -25.9 | 172.7 | -164.7 | 0 | 0 | 0 | 0 | 111.5 | R98 | R98-S100 PolarHBondContact O-N 3.41Š|
| 101 | N | 79.2 | Confident | 77.2 | Confident | 110 Ų | 110 | 105.2 Ų | 105.2 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -86.7 | -11.7 | -180 | -60.8 | -38.9 | 0 | 0 | 0 | 113.1 | D99 Y170 A175 | D99-N101 PolarHBondContact OD1-N 3.07Å; N101-Y170 HydrophobicContact CB-CE2 3.98Å; N101-Y170 WeakPolarHBondContact O-CD2 3.23Å; N101-A175 HydrophobicContact CB-CB 4.34Å |
| 102 | A | 83.6 | Confident | 79.2 | Confident | 25 Ų | 25 | 97.1 Ų | 97.1 | 21% | 0.207 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -71.8 | 136.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D99 Y170 | D99-A102 HydrophobicContact CB-CB 3.86Å; A102-Y170 HydrophobicContact CB-CD1 4.3Å; A102-Y170 HydrophobicContact CB-CE1 3.66Å; A102-Y170 HydrophobicContact CB-CE2 4.44Å |
| 103 | P | 87.5 | Confident | 81.2 | Confident | 20 Ų | 20 | 87.8 Ų | 87.8 | 13% | 0.13 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -48.7 | 144.5 | 172.6 | -29.5 | 36.3 | 0 | 0 | 0 | 112.1 | S105 Y163 E166 Y170 | P103-S105 PolarHBondContact O-N 2.84Å; P103-Y163 HydrophobicContact CB-CD2 3.85Å; P103-Y163 HydrophobicContact CB-CE2 3.91Å; P103-E166 HydrophobicContact CB-CB 3.91Å; P103-E166 HydrophobicContact CG-CB 3.71Å; P103-Y170 HydrophobicContact CG-CG 4.37Å |
| 104 | K | 89.7 | Confident | 83 | Confident | 140 Ų | 140 | 76.7 Ų | 76.7 | 61% | 0.609 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 127.9 | 178.2 | -169.3 | 108.5 | -159.7 | 178.6 | 0 | 109.4 | R98 Y163 | R98-K104 VanDerWaalsContact NH2-CD 3.3Å; K104-Y163 WeakPolarHBondContact O-CD2 3.39Å |
| 105 | S | 89.8 | Confident | 84.7 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 138.8 | 174.9 | -49.6 | 0 | 0 | 0 | 0 | 111.3 | P103 | P103-S105 PolarHBondContact O-N 2.84Š|
| 106 | P | 93.1 | Very high | 86.3 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 153.4 | -174 | 31 | -35.8 | 0 | 0 | 0 | 110.2 | D159 K160 Y163 | P106-D159 WeakPolarHBondContact CA-OD2 3.32Å; P106-D159 HydrophobicContact CB-CB 4.17Å; P106-D159 VanDerWaalsContact CB-OD2 3.27Å; P106-D159 WeakPolarHBondContact CB-OD2 3.43Å; P106-K160 HydrophobicContact CB-CB 4.46Å; P106-K160 HydrophobicContact CG-CB 4.26Å; P106-Y163 HydrophobicContact CG-CD1 4.19Å; P106-Y163 HydrophobicContact CG-CG 4.23Å |
| 107 | L | 92.3 | Very high | 87.8 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 135 | 175.2 | -63.5 | 101.3 | 0 | 0 | 0 | 109.9 | V111 N115 A156 D159 | L107-V111 HydrophobicContact CD2-CG1 3.9Å; L107-N115 WeakPolarHBondContact CD2-ND2 3.44Å; L107-A156 WeakPolarHBondContact O-CB 3.48Å; L107-D159 PolarHBondContact N-OD2 3.46Å |
| 108 | T | 93.6 | Very high | 89.2 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 156.4 | 170.1 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | Y110 V111 R112 | T108-Y110 VanDerWaalsContact C-N 3.25Å; T108-Y110 PolarHBondContact O-N 3.32Å; T108-V111 PolarHBondContact O-N 3.04Å; T108-V111 VanDerWaalsContact OG1-CG2 3.31Å; T108-V111 WeakPolarHBondContact OG1-CG2 3.29Å; T108-V111 PolarHBondContact OG1-N 3.28Å; T108-R112 PolarHBondContact O-N 3.12Å |
| 109 | G | 94.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.4 | -41.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R112 F113 Y152 A156 | G109-R112 PolarHBondContact O-N 3.46Å; G109-F113 PolarHBondContact O-N 3.04Å; G109-Y152 VanDerWaalsContact CA-O 3.23Å; G109-Y152 WeakPolarHBondContact CA-O 3.5Å; G109-A156 VanDerWaalsContact N-CB 3.26Å |
| 110 | Y | 94.5 | Very high | 91.3 | Very high | 87 Ų | 87 | 65.2 Ų | 65.2 | 34% | 0.341 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 173.5 | 175.1 | -120.4 | 0 | 0 | 0 | 112.6 | T108 R112 F113 M114 W141 | T108-Y110 VanDerWaalsContact C-N 3.25Å; T108-Y110 PolarHBondContact O-N 3.32Å; Y110-R112 VanDerWaalsContact C-N 3.3Å; Y110-R112 PolarHBondContact O-N 3.18Å; Y110-F113 PolarHBondContact O-N 3.07Å; Y110-M114 HydrophobicContact CD1-CG 4.33Å; Y110-M114 HydrophobicContact CD2-CG 3.82Å; Y110-M114 HydrophobicContact CD2-SD 4.48Å; Y110-M114 HydrophobicContact CE1-CG 4.01Å; Y110-M114 HydrophobicContact CE2-CG 3.46Å; Y110-M114 VanDerWaalsContact CE2-CG 3.46Å; Y110-M114 HydrophobicContact CE2-SD 3.61Å; Y110-M114 HydrophobicContact CG-CG 4.26Å; Y110-M114 WeakPolarHBondContact O-CB 3.36Å; Y110-M114 WeakPolarHBondContact O-CG 2.97Å; Y110-M114 PolarHBondContact O-N 3.39Å; Y110-W141 HydrophobicContact CD2-CB 3.93Å; Y110-W141 AromaticContact CD2-CD1 3.44Å; Y110-W141 VanDerWaalsContact CD2-CD1 3.44Å; Y110-W141 AromaticContact CD2-CD2 3.62Å; Y110-W141 HydrophobicContact CD2-CD2 3.62Å; Y110-W141 AromaticContact CD2-CE2 3.77Å; Y110-W141 HydrophobicContact CD2-CE3 4.35Å; Y110-W141 AromaticContact CD2-CG 3.39Å; Y110-W141 HydrophobicContact CD2-CG 3.39Å; Y110-W141 AromaticContact CD2-NE1 3.65Å; Y110-W141 HydrophobicContact CE2-CB 3.75Å; Y110-W141 AromaticContact CE2-CD1 3.76Å; Y110-W141 HydrophobicContact CE2-CD2 4.37Å; Y110-W141 AromaticContact CE2-CG 3.69Å; Y110-W141 HydrophobicContact CE2-CG 3.69Å |
| 111 | V | 95 | Very high | 91.8 | Very high | 59 Ų | 59 | 61 Ų | 61 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | -179.2 | 179.6 | 0 | 0 | 0 | 0 | 111 | L107 T108 M114 N115 | L107-V111 HydrophobicContact CD2-CG1 3.9Å; T108-V111 PolarHBondContact O-N 3.04Å; T108-V111 VanDerWaalsContact OG1-CG2 3.31Å; T108-V111 WeakPolarHBondContact OG1-CG2 3.29Å; T108-V111 PolarHBondContact OG1-N 3.28Å; V111-M114 PolarHBondContact O-N 2.91Å; V111-N115 WeakPolarHBondContact O-CB 3.28Å; V111-N115 VanDerWaalsContact O-CG 3.23Å; V111-N115 PolarHBondContact O-N 2.88Å; V111-N115 PolarHBondContact O-ND2 3.19Å |
| 112 | R | 94.2 | Very high | 92.4 | Very high | 66 Ų | 66 | 62 Ų | 62 | 25% | 0.249 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -51.9 | 173.9 | -176.8 | 177.6 | -81.1 | -113.9 | 12.6 | 110.9 | T108 G109 Y110 M114 N115 E116 Y152 E155 | T108-R112 PolarHBondContact O-N 3.12Å; G109-R112 PolarHBondContact O-N 3.46Å; Y110-R112 VanDerWaalsContact C-N 3.3Å; Y110-R112 PolarHBondContact O-N 3.18Å; R112-M114 PolarHBondContact O-N 3.28Å; R112-N115 PolarHBondContact O-N 3.13Å; R112-E116 PolarHBondContact O-N 3.02Å; R112-E116 VanDerWaalsContact O-N 3.08Å; R112-Y152 HydrophobicContact CB-CD1 4.38Å; R112-Y152 HydrophobicContact CG-CD1 4.04Å; R112-Y152 HydrophobicContact CG-CE1 4.41Å; R112-E155 IonicContact CZ-OE1 3.99Å; R112-E155 IonicContact NH1-OE1 3.65Å; R112-E155 PolarHBondContact NH1-OE1 2.89Å; R112-E155 IonicContact NH2-OE1 3.29Å |
| 113 | F | 95.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.7 | -49.6 | 173.5 | 166.8 | -97.3 | 0 | 0 | 0 | 111.8 | G109 Y110 N115 E116 R117 E140 W141 L144 Y152 | G109-F113 PolarHBondContact O-N 3.04Å; Y110-F113 PolarHBondContact O-N 3.07Å; F113-N115 VanDerWaalsContact C-N 3.31Å; F113-N115 PolarHBondContact O-N 3.12Å; F113-E116 PolarHBondContact O-N 3.16Å; F113-R117 HydrophobicContact CD2-CG 4.11Å; F113-R117 HydrophobicContact CE2-CB 4.5Å; F113-R117 HydrophobicContact CE2-CG 3.61Å; F113-R117 HydrophobicContact CZ-CB 4.43Å; F113-R117 HydrophobicContact CZ-CG 3.91Å; F113-R117 PolarHBondContact O-N 3.41Å; F113-E140 HydrophobicContact CE1-CB 4.47Å; F113-E140 HydrophobicContact CZ-CB 4.04Å; F113-E140 HydrophobicContact CZ-CG 3.87Å; F113-W141 HydrophobicContact CB-CE3 3.76Å; F113-W141 HydrophobicContact CB-CZ3 3.69Å; F113-W141 HydrophobicContact CD1-CB 4.01Å; F113-W141 HydrophobicContact CD1-CD2 4.29Å; F113-W141 AromaticContact CD1-CE3 3.59Å; F113-W141 HydrophobicContact CD1-CE3 3.59Å; F113-W141 HydrophobicContact CD1-CG 4.5Å; F113-W141 HydrophobicContact CD1-CZ3 4.41Å; F113-W141 HydrophobicContact CD2-CE3 4.21Å; F113-W141 HydrophobicContact CE1-CB 3.78Å; F113-W141 HydrophobicContact CE1-CE3 4.26Å; F113-W141 AromaticContact CG-CE3 3.57Å; F113-W141 HydrophobicContact CG-CE3 3.57Å; F113-W141 AromaticContact CG-CZ3 3.97Å; F113-W141 HydrophobicContact CG-CZ3 3.97Å; F113-L144 HydrophobicContact CD2-CD2 4.26Å; F113-L144 HydrophobicContact CE2-CD1 4.33Å; F113-L144 HydrophobicContact CE2-CD2 4.27Å; F113-Y152 HydrophobicContact CB-CD1 4.07Å; F113-Y152 HydrophobicContact CB-CD2 4.12Å; F113-Y152 HydrophobicContact CB-CE1 4.12Å; F113-Y152 HydrophobicContact CB-CE2 4.18Å; F113-Y152 HydrophobicContact CB-CG 4.08Å; F113-Y152 HydrophobicContact CD2-CD2 4.23Å; F113-Y152 AromaticContact CD2-CE2 3.65Å; F113-Y152 HydrophobicContact CD2-CE2 3.65Å; F113-Y152 AromaticContact CD2-CZ 3.89Å; F113-Y152 HydrophobicContact CG-CE2 4.39Å |
| 114 | M | 94.9 | Very high | 93 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 4% | 0.044 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | -179.7 | -72.6 | -72.8 | -71.3 | 0 | 0 | 111.8 | Y110 V111 R112 R118 T134 L137 | Y110-M114 HydrophobicContact CD1-CG 4.33Å; Y110-M114 HydrophobicContact CD2-CG 3.82Å; Y110-M114 HydrophobicContact CD2-SD 4.48Å; Y110-M114 HydrophobicContact CE1-CG 4.01Å; Y110-M114 HydrophobicContact CE2-CG 3.46Å; Y110-M114 VanDerWaalsContact CE2-CG 3.46Å; Y110-M114 HydrophobicContact CE2-SD 3.61Å; Y110-M114 HydrophobicContact CG-CG 4.26Å; Y110-M114 WeakPolarHBondContact O-CB 3.36Å; Y110-M114 WeakPolarHBondContact O-CG 2.97Å; Y110-M114 PolarHBondContact O-N 3.39Å; V111-M114 PolarHBondContact O-N 2.91Å; R112-M114 PolarHBondContact O-N 3.28Å; M114-R118 WeakPolarHBondContact O-CA 3.38Å; M114-R118 WeakPolarHBondContact O-CB 3.49Å; M114-R118 PolarHBondContact O-N 3.18Å; M114-T134 HydrophobicContact CE-CG2 3.79Å; M114-L137 HydrophobicContact CE-CB 3.77Å; M114-L137 HydrophobicContact CE-CD1 4.28Å; M114-L137 HydrophobicContact SD-CB 3.27Å; M114-L137 WeakPolarHBondContact SD-CB 3.34Å; M114-L137 HydrophobicContact SD-CD1 4.27Å; M114-L137 HydrophobicContact SD-CG 4.4Å |
| 115 | N | 93.8 | Very high | 93 | Very high | 71 Ų | 71 | 70.1 Ų | 70.1 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.6 | -46.9 | 179.8 | -76.5 | -16.2 | 0 | 0 | 0 | 111.8 | L107 V111 R112 F113 R118 E119 | L107-N115 WeakPolarHBondContact CD2-ND2 3.44Å; V111-N115 WeakPolarHBondContact O-CB 3.28Å; V111-N115 VanDerWaalsContact O-CG 3.23Å; V111-N115 PolarHBondContact O-N 2.88Å; V111-N115 PolarHBondContact O-ND2 3.19Å; R112-N115 PolarHBondContact O-N 3.13Å; F113-N115 VanDerWaalsContact C-N 3.31Å; F113-N115 PolarHBondContact O-N 3.12Å; N115-R118 PolarHBondContact O-N 3.09Å; N115-E119 PolarHBondContact O-N 3.42Å |
| 116 | E | 93.6 | Very high | 93.1 | Very high | 83 Ų | 83 | 71.7 Ų | 71.7 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -51.5 | 178.7 | -172.1 | -171.9 | 164.5 | 0 | 0 | 111.1 | R112 F113 E119 Q120 Y152 | R112-E116 PolarHBondContact O-N 3.02Å; R112-E116 VanDerWaalsContact O-N 3.08Å; F113-E116 PolarHBondContact O-N 3.16Å; E116-E119 PolarHBondContact O-N 3.03Å; E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-Q120 PolarHBondContact O-N 3.36Å; E116-Y152 VanDerWaalsContact OE2-CE1 3.23Å; E116-Y152 WeakPolarHBondContact OE2-CE1 3.46Å; E116-Y152 PolarHBondContact OE2-OH 3.4Å |
| 117 | R | 93.6 | Very high | 93 | Very high | 76 Ų | 76 | 76.3 Ų | 76.3 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.4 | -28.7 | -179.2 | -76.2 | -51.1 | -160.7 | 97.9 | 1.4 | 113.7 | F113 E119 Q120 L121 L137 E140 | F113-R117 HydrophobicContact CD2-CG 4.11Å; F113-R117 HydrophobicContact CE2-CB 4.5Å; F113-R117 HydrophobicContact CE2-CG 3.61Å; F113-R117 HydrophobicContact CZ-CB 4.43Å; F113-R117 HydrophobicContact CZ-CG 3.91Å; F113-R117 PolarHBondContact O-N 3.41Å; R117-E119 VanDerWaalsContact C-N 3.33Å; R117-E119 PolarHBondContact O-N 2.9Å; R117-Q120 PolarHBondContact O-N 3.31Å; R117-L121 WeakPolarHBondContact O-CB 3.49Å; R117-L121 PolarHBondContact O-N 3.15Å; R117-L137 HydrophobicContact CB-CD2 3.41Å; R117-L137 VanDerWaalsContact CB-CD2 3.41Å; R117-L137 HydrophobicContact CG-CD2 4.45Å; R117-E140 IonicContact CZ-OE1 2.65Å; R117-E140 IonicContact NH1-OE1 3.26Å; R117-E140 PolarHBondContact NH1-OE1 2.98Å; R117-E140 IonicContact NH1-OE2 3.4Å; R117-E140 IonicContact NH2-OE1 3.36Å; R117-E140 PolarHBondContact NH2-OE1 3.39Å |
| 118 | R | 93.3 | Very high | 92.9 | Very high | 48 Ų | 48 | 74.4 Ų | 74.4 | 18% | 0.181 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 172.9 | 176.8 | -179.8 | -70 | 174 | -5.1 | 111.8 | M114 N115 L121 R122 F130 I133 T134 L137 | M114-R118 WeakPolarHBondContact O-CA 3.38Å; M114-R118 WeakPolarHBondContact O-CB 3.49Å; M114-R118 PolarHBondContact O-N 3.18Å; N115-R118 PolarHBondContact O-N 3.09Å; R118-L121 PolarHBondContact O-N 2.71Å; R118-R122 VanDerWaalsContact O-CB 3.25Å; R118-R122 WeakPolarHBondContact O-CB 3.38Å; R118-R122 PolarHBondContact O-N 2.96Å; R118-F130 VanDerWaalsContact CZ-CZ 3.48Å; R118-F130 VanDerWaalsContact NH1-CE2 3.26Å; R118-I133 HydrophobicContact CB-CG2 4.49Å; R118-I133 HydrophobicContact CG-CG2 4.05Å; R118-T134 PolarHBondContact NH2-OG1 3.33Å; R118-L137 HydrophobicContact CB-CD1 3.65Å |
| 119 | E | 92.8 | Very high | 92.9 | Very high | 126 Ų | 126 | 74.4 Ų | 74.4 | 59% | 0.589 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63 | -46.6 | 176 | -177.5 | 162.2 | -143.9 | 0 | 0 | 111.1 | N115 E116 R117 L121 R122 A123 | N115-E119 PolarHBondContact O-N 3.42Å; E116-E119 PolarHBondContact O-N 3.03Å; R117-E119 VanDerWaalsContact C-N 3.33Å; R117-E119 PolarHBondContact O-N 2.9Å; E119-L121 PolarHBondContact O-N 3.18Å; E119-R122 PolarHBondContact O-N 2.95Å; E119-A123 WeakPolarHBondContact O-CB 3.34Å; E119-A123 PolarHBondContact O-N 3.03Å |
| 120 | Q | 92.6 | Very high | 92.6 | Very high | 70 Ų | 70 | 80 Ų | 80 | 33% | 0.327 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.6 | -63.8 | 175.9 | 20.4 | 0 | 0 | 112.7 | E116 R117 A123 K124 | E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-Q120 PolarHBondContact O-N 3.36Å; R117-Q120 PolarHBondContact O-N 3.31Å; Q120-A123 PolarHBondContact O-N 2.64Å; Q120-K124 WeakPolarHBondContact O-CG 3.33Å; Q120-K124 PolarHBondContact O-N 2.94Å; Q120-K124 VanDerWaalsContact O-N 3.14Å |
| 121 | L | 91.3 | Very high | 92.6 | Very high | 29 Ų | 29 | 79.8 Ų | 79.8 | 15% | 0.152 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.2 | -38.7 | -177.8 | -164.5 | 62.3 | 0 | 0 | 0 | 111.7 | R117 R118 E119 A123 K124 R125 I133 M136 L137 | R117-L121 WeakPolarHBondContact O-CB 3.49Å; R117-L121 PolarHBondContact O-N 3.15Å; R118-L121 PolarHBondContact O-N 2.71Å; E119-L121 PolarHBondContact O-N 3.18Å; L121-A123 VanDerWaalsContact C-N 3.3Å; L121-A123 PolarHBondContact O-N 3.44Å; L121-K124 PolarHBondContact O-N 3.06Å; L121-R125 WeakPolarHBondContact O-CA 3.35Å; L121-R125 PolarHBondContact O-N 3.48Å; L121-I133 HydrophobicContact CD2-CB 4.38Å; L121-I133 HydrophobicContact CD2-CG1 4.22Å; L121-I133 HydrophobicContact CD2-CG2 4.06Å; L121-M136 HydrophobicContact CD2-CB 4.41Å; L121-M136 HydrophobicContact CD2-CE 4.27Å; L121-M136 HydrophobicContact CD2-SD 4.23Å; L121-L137 HydrophobicContact CD2-CD2 4.48Å |
| 122 | R | 90.6 | Very high | 92.5 | Very high | 131 Ų | 131 | 80.5 Ų | 80.5 | 49% | 0.494 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -33.6 | 175.3 | -173.1 | 178.9 | 63.2 | -133.5 | -5.9 | 111.9 | R118 E119 P126 I133 | R118-R122 VanDerWaalsContact O-CB 3.25Å; R118-R122 WeakPolarHBondContact O-CB 3.38Å; R118-R122 PolarHBondContact O-N 2.96Å; E119-R122 PolarHBondContact O-N 2.95Å; R122-P126 WeakPolarHBondContact O-CA 3.31Å; R122-I133 HydrophobicContact CB-CD1 4.41Å |
| 123 | A | 91.9 | Very high | 92.4 | Very high | 83 Ų | 83 | 77.6 Ų | 77.6 | 69% | 0.686 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.3 | -38.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E119 Q120 L121 | E119-A123 WeakPolarHBondContact O-CB 3.34Å; E119-A123 PolarHBondContact O-N 3.03Å; Q120-A123 PolarHBondContact O-N 2.64Å; L121-A123 VanDerWaalsContact C-N 3.3Å; L121-A123 PolarHBondContact O-N 3.44Å |
| 124 | K | 92.6 | Very high | 92.2 | Very high | 159 Ų | 159 | 79.4 Ų | 79.4 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -80.5 | -30.9 | 179.4 | -69.1 | 175.2 | -177.4 | 177.9 | 0 | 113.6 | Q120 L121 | Q120-K124 WeakPolarHBondContact O-CG 3.33Å; Q120-K124 PolarHBondContact O-N 2.94Å; Q120-K124 VanDerWaalsContact O-N 3.14Å; L121-K124 PolarHBondContact O-N 3.06Å |
| 125 | R | 89.5 | Confident | 92.2 | Very high | 113 Ų | 113 | 85.3 Ų | 85.3 | 43% | 0.426 | 42% | 0.418 | S | S | . | . | trans | -137.9 | 67.8 | -172.7 | -65.4 | -172.4 | -177.1 | 165.4 | 0.5 | 111.3 | L121 E127 V128 | L121-R125 WeakPolarHBondContact O-CA 3.35Å; L121-R125 PolarHBondContact O-N 3.48Å; R125-E127 VanDerWaalsContact CA-OE2 3.26Å; R125-E127 WeakPolarHBondContact CA-OE2 3.31Å; R125-E127 WeakPolarHBondContact CB-OE1 3.39Å; R125-E127 PolarHBondContact O-N 3.2Å; R125-V128 HydrophobicContact CB-CB 4.43Å; R125-V128 HydrophobicContact CB-CG2 3.88Å; R125-V128 PolarHBondContact O-N 3.04Å | ||
| 126 | P | 90.6 | Very high | 92.2 | Very high | 101 Ų | 101 | 85 Ų | 85 | 66% | 0.656 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.4 | -179.2 | 27.7 | -35.7 | 0 | 0 | 0 | 113.7 | R122 | R122-P126 WeakPolarHBondContact O-CA 3.31Š|
| 127 | E | 92 | Very high | 92.2 | Very high | 135 Ų | 135 | 81.1 Ų | 81.1 | 63% | 0.631 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.9 | 179.2 | 72.8 | -69.9 | 165.6 | 0 | 0 | 114.1 | R125 | R125-E127 VanDerWaalsContact CA-OE2 3.26Å; R125-E127 WeakPolarHBondContact CA-OE2 3.31Å; R125-E127 WeakPolarHBondContact CB-OE1 3.39Å; R125-E127 PolarHBondContact O-N 3.2Å |
| 128 | V | 89.8 | Confident | 92.2 | Very high | 30 Ų | 30 | 78.2 Ų | 78.2 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -80.4 | 128.9 | -174.2 | 179.3 | 0 | 0 | 0 | 0 | 110 | R125 E132 I133 | R125-V128 HydrophobicContact CB-CB 4.43Å; R125-V128 HydrophobicContact CB-CG2 3.88Å; R125-V128 PolarHBondContact O-N 3.04Å; V128-E132 HydrophobicContact CG1-CB 3.62Å; V128-E132 HydrophobicContact CG1-CG 3.66Å; V128-I133 HydrophobicContact CB-CD1 4.46Å; V128-I133 HydrophobicContact CB-CG1 4.14Å; V128-I133 HydrophobicContact CG1-CG1 3.8Å; V128-I133 WeakPolarHBondContact O-CD1 3.44Å |
| 129 | P | 93.1 | Very high | 92.3 | Very high | 83 Ų | 83 | 80.4 Ų | 80.4 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | trans | -68.7 | 148.4 | -176.9 | 28.5 | -34.9 | 0 | 0 | 0 | 111.6 | P131 E132 I133 | P129-P131 VanDerWaalsContact C-CD 3.42Å; P129-E132 HydrophobicContact CG-CB 4Å; P129-E132 WeakPolarHBondContact O-CB 3.48Å; P129-E132 PolarHBondContact O-N 3.09Å; P129-I133 PolarHBondContact O-N 2.87Å; P129-I133 VanDerWaalsContact O-N 3.16Å | ||
| 130 | F | 89.1 | Confident | 92.4 | Very high | 120 Ų | 120 | 77.3 Ų | 77.3 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -49.5 | -41.8 | -176.6 | 174.1 | -93.3 | 0 | 0 | 0 | 115.8 | R118 E132 I133 T134 | R118-F130 VanDerWaalsContact CZ-CZ 3.48Å; R118-F130 VanDerWaalsContact NH1-CE2 3.26Å; F130-E132 VanDerWaalsContact C-N 3.3Å; F130-E132 PolarHBondContact O-N 3.16Å; F130-I133 PolarHBondContact O-N 3.44Å; F130-T134 WeakPolarHBondContact O-CB 3.47Å; F130-T134 PolarHBondContact O-N 3.22Å; F130-T134 PolarHBondContact O-OG1 2.88Å |
| 131 | P | 93.9 | Very high | 92.5 | Very high | 82 Ų | 82 | 75.3 Ų | 75.3 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -35 | 176.9 | -22.3 | 35.1 | 0 | 0 | 0 | 113.1 | P129 T134 R135 | P129-P131 VanDerWaalsContact C-CD 3.42Å; P131-T134 PolarHBondContact O-N 3.45Å; P131-R135 PolarHBondContact O-N 3.14Å |
| 132 | E | 93.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 78.6 Ų | 78.6 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.2 | -47.8 | 178.3 | -169.2 | 63.6 | -127.3 | 0 | 0 | 110.6 | V128 P129 F130 T134 R135 M136 | V128-E132 HydrophobicContact CG1-CB 3.62Å; V128-E132 HydrophobicContact CG1-CG 3.66Å; P129-E132 HydrophobicContact CG-CB 4Å; P129-E132 WeakPolarHBondContact O-CB 3.48Å; P129-E132 PolarHBondContact O-N 3.09Å; F130-E132 VanDerWaalsContact C-N 3.3Å; F130-E132 PolarHBondContact O-N 3.16Å; E132-T134 PolarHBondContact O-N 3.46Å; E132-R135 PolarHBondContact O-N 2.89Å; E132-R135 VanDerWaalsContact O-N 3.08Å; E132-R135 IonicContact OE1-NH1 2.7Å; E132-R135 PolarHBondContact OE1-NH1 3.25Å; E132-R135 IonicContact OE2-CZ 3.69Å; E132-R135 IonicContact OE2-NH1 3.27Å; E132-R135 PolarHBondContact OE2-NH1 2.8Å; E132-M136 WeakPolarHBondContact O-CG 3.46Å; E132-M136 PolarHBondContact O-N 2.96Å |
| 133 | I | 92.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 80.9 Ų | 80.9 | 3% | 0.026 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -52.6 | -46.4 | 172.3 | -69.4 | 174.6 | 0 | 0 | 0 | 110.3 | R118 L121 R122 V128 P129 F130 R135 M136 L137 | R118-I133 HydrophobicContact CB-CG2 4.49Å; R118-I133 HydrophobicContact CG-CG2 4.05Å; L121-I133 HydrophobicContact CD2-CB 4.38Å; L121-I133 HydrophobicContact CD2-CG1 4.22Å; L121-I133 HydrophobicContact CD2-CG2 4.06Å; R122-I133 HydrophobicContact CB-CD1 4.41Å; V128-I133 HydrophobicContact CB-CD1 4.46Å; V128-I133 HydrophobicContact CB-CG1 4.14Å; V128-I133 HydrophobicContact CG1-CG1 3.8Å; V128-I133 WeakPolarHBondContact O-CD1 3.44Å; P129-I133 PolarHBondContact O-N 2.87Å; P129-I133 VanDerWaalsContact O-N 3.16Å; F130-I133 PolarHBondContact O-N 3.44Å; I133-R135 PolarHBondContact O-N 2.94Å; I133-M136 PolarHBondContact O-N 3.35Å; I133-L137 HydrophobicContact CG2-CD1 3.83Å; I133-L137 HydrophobicContact CG2-CG 4.41Å; I133-L137 VanDerWaalsContact O-CG 3.23Å; I133-L137 WeakPolarHBondContact O-CG 3.31Å; I133-L137 PolarHBondContact O-N 3.05Å |
| 134 | T | 92 | Very high | 93 | Very high | 40 Ų | 40 | 78 Ų | 78 | 25% | 0.245 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.2 | -38.9 | -179.3 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | M114 R118 F130 P131 E132 G138 | M114-T134 HydrophobicContact CE-CG2 3.79Å; R118-T134 PolarHBondContact NH2-OG1 3.33Å; F130-T134 WeakPolarHBondContact O-CB 3.47Å; F130-T134 PolarHBondContact O-N 3.22Å; F130-T134 PolarHBondContact O-OG1 2.88Å; P131-T134 PolarHBondContact O-N 3.45Å; E132-T134 PolarHBondContact O-N 3.46Å; T134-G138 PolarHBondContact O-N 3.27Å; T134-G138 VanDerWaalsContact O-N 3.08Å |
| 135 | R | 94.3 | Very high | 93.2 | Very high | 132 Ų | 132 | 73.1 Ų | 73.1 | 50% | 0.498 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.1 | -166.9 | -174.6 | -55.7 | 104.2 | -1.7 | 111.9 | P131 E132 I133 L137 G138 N139 | P131-R135 PolarHBondContact O-N 3.14Å; E132-R135 PolarHBondContact O-N 2.89Å; E132-R135 VanDerWaalsContact O-N 3.08Å; E132-R135 IonicContact OE1-NH1 2.7Å; E132-R135 PolarHBondContact OE1-NH1 3.25Å; E132-R135 IonicContact OE2-CZ 3.69Å; E132-R135 IonicContact OE2-NH1 3.27Å; E132-R135 PolarHBondContact OE2-NH1 2.8Å; I133-R135 PolarHBondContact O-N 2.94Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-L137 PolarHBondContact O-N 2.87Å; R135-G138 PolarHBondContact O-N 3.45Å; R135-N139 PolarHBondContact O-N 3.44Å; R135-N139 VanDerWaalsContact O-N 3.13Å |
| 136 | M | 92.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 72.1 Ų | 72.1 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 178.2 | -68.7 | -178.4 | 63.8 | 0 | 0 | 111.9 | L121 E132 I133 N139 E140 | L121-M136 HydrophobicContact CD2-CB 4.41Å; L121-M136 HydrophobicContact CD2-CE 4.27Å; L121-M136 HydrophobicContact CD2-SD 4.23Å; E132-M136 WeakPolarHBondContact O-CG 3.46Å; E132-M136 PolarHBondContact O-N 2.96Å; I133-M136 PolarHBondContact O-N 3.35Å; M136-N139 PolarHBondContact O-N 3.48Å; M136-E140 PolarHBondContact O-N 2.83Å |
| 137 | L | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 180 | -64.2 | 172.7 | 0 | 0 | 0 | 112.9 | M114 R117 R118 L121 I133 R135 N139 E140 W141 | M114-L137 HydrophobicContact CE-CB 3.77Å; M114-L137 HydrophobicContact CE-CD1 4.28Å; M114-L137 HydrophobicContact SD-CB 3.27Å; M114-L137 WeakPolarHBondContact SD-CB 3.34Å; M114-L137 HydrophobicContact SD-CD1 4.27Å; M114-L137 HydrophobicContact SD-CG 4.4Å; R117-L137 HydrophobicContact CB-CD2 3.41Å; R117-L137 VanDerWaalsContact CB-CD2 3.41Å; R117-L137 HydrophobicContact CG-CD2 4.45Å; R118-L137 HydrophobicContact CB-CD1 3.65Å; L121-L137 HydrophobicContact CD2-CD2 4.48Å; I133-L137 HydrophobicContact CG2-CD1 3.83Å; I133-L137 HydrophobicContact CG2-CG 4.41Å; I133-L137 VanDerWaalsContact O-CG 3.23Å; I133-L137 WeakPolarHBondContact O-CG 3.31Å; I133-L137 PolarHBondContact O-N 3.05Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-L137 PolarHBondContact O-N 2.87Å; L137-N139 VanDerWaalsContact C-N 3.29Å; L137-N139 PolarHBondContact O-N 2.92Å; L137-E140 PolarHBondContact O-N 2.86Å; L137-E140 VanDerWaalsContact O-N 3.17Å; L137-W141 PolarHBondContact O-N 2.94Å |
| 138 | G | 94.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 71.1 Ų | 71.1 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T134 R135 E140 W141 S142 | T134-G138 PolarHBondContact O-N 3.27Å; T134-G138 VanDerWaalsContact O-N 3.08Å; R135-G138 PolarHBondContact O-N 3.45Å; G138-E140 VanDerWaalsContact C-N 3.35Å; G138-E140 PolarHBondContact O-N 3.44Å; G138-W141 PolarHBondContact O-N 3.42Å; G138-S142 PolarHBondContact O-N 3.33Å; G138-S142 PolarHBondContact O-OG 3.44Å |
| 139 | N | 94.9 | Very high | 93.9 | Very high | 94 Ų | 94 | 72.5 Ų | 72.5 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 175 | -68.6 | -16.4 | 0 | 0 | 0 | 112.8 | R135 M136 L137 K143 | R135-N139 PolarHBondContact O-N 3.44Å; R135-N139 VanDerWaalsContact O-N 3.13Å; M136-N139 PolarHBondContact O-N 3.48Å; L137-N139 VanDerWaalsContact C-N 3.29Å; L137-N139 PolarHBondContact O-N 2.92Å; N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 2.69Å |
| 140 | E | 94.5 | Very high | 94 | Very high | 60 Ų | 60 | 73 Ų | 73 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 176.4 | -166.5 | 176.1 | 177.7 | 0 | 0 | 111.1 | F113 R117 M136 L137 G138 S142 K143 L144 | F113-E140 HydrophobicContact CE1-CB 4.47Å; F113-E140 HydrophobicContact CZ-CB 4.04Å; F113-E140 HydrophobicContact CZ-CG 3.87Å; R117-E140 IonicContact CZ-OE1 2.65Å; R117-E140 IonicContact NH1-OE1 3.26Å; R117-E140 PolarHBondContact NH1-OE1 2.98Å; R117-E140 IonicContact NH1-OE2 3.4Å; R117-E140 IonicContact NH2-OE1 3.36Å; R117-E140 PolarHBondContact NH2-OE1 3.39Å; M136-E140 PolarHBondContact O-N 2.83Å; L137-E140 PolarHBondContact O-N 2.86Å; L137-E140 VanDerWaalsContact O-N 3.17Å; G138-E140 VanDerWaalsContact C-N 3.35Å; G138-E140 PolarHBondContact O-N 3.44Å; E140-S142 VanDerWaalsContact C-N 3.34Å; E140-S142 PolarHBondContact O-N 3.35Å; E140-K143 CarbonylContact O-C 3.59Å; E140-K143 PolarHBondContact O-N 2.93Å; E140-K143 VanDerWaalsContact O-N 3.09Å; E140-L144 PolarHBondContact O-N 3.28Å |
| 141 | W | 95.3 | Very high | 94.4 | Very high | 28 Ų | 28 | 73.2 Ų | 73.2 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.1 | 177 | -106.4 | 0 | 0 | 0 | 112.6 | Y110 F113 L137 G138 K143 L144 K149 Y152 | Y110-W141 HydrophobicContact CD2-CB 3.93Å; Y110-W141 AromaticContact CD2-CD1 3.44Å; Y110-W141 VanDerWaalsContact CD2-CD1 3.44Å; Y110-W141 AromaticContact CD2-CD2 3.62Å; Y110-W141 HydrophobicContact CD2-CD2 3.62Å; Y110-W141 AromaticContact CD2-CE2 3.77Å; Y110-W141 HydrophobicContact CD2-CE3 4.35Å; Y110-W141 AromaticContact CD2-CG 3.39Å; Y110-W141 HydrophobicContact CD2-CG 3.39Å; Y110-W141 AromaticContact CD2-NE1 3.65Å; Y110-W141 HydrophobicContact CE2-CB 3.75Å; Y110-W141 AromaticContact CE2-CD1 3.76Å; Y110-W141 HydrophobicContact CE2-CD2 4.37Å; Y110-W141 AromaticContact CE2-CG 3.69Å; Y110-W141 HydrophobicContact CE2-CG 3.69Å; F113-W141 HydrophobicContact CB-CE3 3.76Å; F113-W141 HydrophobicContact CB-CZ3 3.69Å; F113-W141 HydrophobicContact CD1-CB 4.01Å; F113-W141 HydrophobicContact CD1-CD2 4.29Å; F113-W141 AromaticContact CD1-CE3 3.59Å; F113-W141 HydrophobicContact CD1-CE3 3.59Å; F113-W141 HydrophobicContact CD1-CG 4.5Å; F113-W141 HydrophobicContact CD1-CZ3 4.41Å; F113-W141 HydrophobicContact CD2-CE3 4.21Å; F113-W141 HydrophobicContact CE1-CB 3.78Å; F113-W141 HydrophobicContact CE1-CE3 4.26Å; F113-W141 AromaticContact CG-CE3 3.57Å; F113-W141 HydrophobicContact CG-CE3 3.57Å; F113-W141 AromaticContact CG-CZ3 3.97Å; F113-W141 HydrophobicContact CG-CZ3 3.97Å; L137-W141 PolarHBondContact O-N 2.94Å; G138-W141 PolarHBondContact O-N 3.42Å; W141-K143 PolarHBondContact O-N 2.94Å; W141-L144 HydrophobicContact CE3-CD2 3.92Å; W141-L144 HydrophobicContact CZ3-CD2 3.99Å; W141-L144 WeakPolarHBondContact O-CB 3.33Å; W141-L144 PolarHBondContact O-N 2.94Å; W141-K149 HydrophobicContact CH2-CB 4.5Å; W141-K149 HydrophobicContact CH2-CD 4.46Å; W141-K149 HydrophobicContact CH2-CG 3.48Å; W141-K149 VanDerWaalsContact CH2-CG 3.48Å; W141-K149 HydrophobicContact CZ2-CD 4.08Å; W141-K149 VanDerWaalsContact CZ2-CE 3.44Å; W141-K149 HydrophobicContact CZ2-CG 3.58Å; W141-K149 HydrophobicContact CZ3-CG 3.98Å; W141-Y152 HydrophobicContact CZ3-CD2 4.08Å; W141-Y152 HydrophobicContact CZ3-CG 4.3Å |
| 142 | S | 94.8 | Very high | 94.5 | Very high | 99 Ų | 99 | 69.9 Ų | 69.9 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.5 | -20.6 | 177 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | G138 E140 | G138-S142 PolarHBondContact O-N 3.33Å; G138-S142 PolarHBondContact O-OG 3.44Å; E140-S142 VanDerWaalsContact C-N 3.34Å; E140-S142 PolarHBondContact O-N 3.35Å |
| 143 | K | 95 | Very high | 94.5 | Very high | 179 Ų | 179 | 69.3 Ų | 69.3 | 78% | 0.778 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 0.9 | 179.8 | -66.6 | 178.1 | -178.6 | -176.2 | 0 | 113.1 | N139 E140 W141 | N139-K143 WeakPolarHBondContact O-CG 3.38Å; N139-K143 PolarHBondContact O-N 2.69Å; E140-K143 CarbonylContact O-C 3.59Å; E140-K143 PolarHBondContact O-N 2.93Å; E140-K143 VanDerWaalsContact O-N 3.09Å; W141-K143 PolarHBondContact O-N 2.94Å |
| 144 | L | 94 | Very high | 94.7 | Very high | 23 Ų | 23 | 71.9 Ų | 71.9 | 12% | 0.12 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -69.7 | 136.8 | -176.8 | -163.3 | 69.7 | 0 | 0 | 0 | 109.8 | F113 E140 W141 E148 K149 Y152 | F113-L144 HydrophobicContact CD2-CD2 4.26Å; F113-L144 HydrophobicContact CE2-CD1 4.33Å; F113-L144 HydrophobicContact CE2-CD2 4.27Å; E140-L144 PolarHBondContact O-N 3.28Å; W141-L144 HydrophobicContact CE3-CD2 3.92Å; W141-L144 HydrophobicContact CZ3-CD2 3.99Å; W141-L144 WeakPolarHBondContact O-CB 3.33Å; W141-L144 PolarHBondContact O-N 2.94Å; L144-E148 HydrophobicContact CD1-CB 4.08Å; L144-E148 HydrophobicContact CD2-CB 3.97Å; L144-E148 HydrophobicContact CG-CB 3.79Å; L144-K149 HydrophobicContact CD2-CB 4.24Å; L144-Y152 HydrophobicContact CD2-CD2 4.17Å; L144-Y152 HydrophobicContact CD2-CE2 4.27Å |
| 145 | P | 95.8 | Very high | 94.8 | Very high | 56 Ų | 56 | 73.2 Ų | 73.2 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | trans | -54.8 | 145.4 | 174 | -24.8 | 33.9 | 0 | 0 | 0 | 111.5 | E147 E148 K149 | P145-E147 WeakPolarHBondContact CB-OE2 3.44Å; P145-E147 PolarHBondContact O-N 3.28Å; P145-E148 PolarHBondContact O-N 3.3Å; P145-E148 VanDerWaalsContact O-N 3.17Å; P145-K149 WeakPolarHBondContact O-CB 3.4Å; P145-K149 PolarHBondContact O-N 3.47Å | ||
| 146 | P | 94.3 | Very high | 94.9 | Very high | 91 Ų | 91 | 67.5 Ų | 67.5 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.6 | -32.9 | -177.8 | 22.8 | -31.4 | 0 | 0 | 0 | 112.3 | K149 Q150 | P146-K149 PolarHBondContact O-N 3.02Å; P146-Q150 VanDerWaalsContact O-CB 3.25Å; P146-Q150 WeakPolarHBondContact O-CB 3.33Å; P146-Q150 PolarHBondContact O-N 2.86Å |
| 147 | E | 94.6 | Very high | 94.9 | Very high | 139 Ų | 139 | 68.3 Ų | 68.3 | 65% | 0.65 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.2 | -43.9 | 178.7 | -56.9 | 76.3 | -166.2 | 0 | 0 | 111.8 | P145 Q150 R151 | P145-E147 WeakPolarHBondContact CB-OE2 3.44Å; P145-E147 PolarHBondContact O-N 3.28Å; E147-Q150 PolarHBondContact O-N 3.07Å; E147-R151 PolarHBondContact O-N 2.81Å; E147-R151 VanDerWaalsContact O-N 3.15Å |
| 148 | E | 94.4 | Very high | 94.9 | Very high | 77 Ų | 77 | 74.8 Ų | 74.8 | 36% | 0.36 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 176.4 | -75.7 | -165.6 | -130.6 | 0 | 0 | 111.5 | L144 P145 Q150 R151 Y152 | L144-E148 HydrophobicContact CD1-CB 4.08Å; L144-E148 HydrophobicContact CD2-CB 3.97Å; L144-E148 HydrophobicContact CG-CB 3.79Å; P145-E148 PolarHBondContact O-N 3.3Å; P145-E148 VanDerWaalsContact O-N 3.17Å; E148-Q150 VanDerWaalsContact C-N 3.3Å; E148-Q150 PolarHBondContact O-N 2.98Å; E148-R151 WeakPolarHBondContact O-CB 3.23Å; E148-R151 PolarHBondContact O-N 2.86Å; E148-Y152 VanDerWaalsContact O-CD2 3.22Å; E148-Y152 WeakPolarHBondContact O-CD2 3.37Å; E148-Y152 PolarHBondContact O-N 3.04Å |
| 149 | K | 95.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 74.7 Ų | 74.7 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 174.1 | -164.6 | -179.6 | 179.1 | -175.4 | 0 | 110.2 | W141 L144 P145 P146 R151 Y152 L153 | W141-K149 HydrophobicContact CH2-CB 4.5Å; W141-K149 HydrophobicContact CH2-CD 4.46Å; W141-K149 HydrophobicContact CH2-CG 3.48Å; W141-K149 VanDerWaalsContact CH2-CG 3.48Å; W141-K149 HydrophobicContact CZ2-CD 4.08Å; W141-K149 VanDerWaalsContact CZ2-CE 3.44Å; W141-K149 HydrophobicContact CZ2-CG 3.58Å; W141-K149 HydrophobicContact CZ3-CG 3.98Å; L144-K149 HydrophobicContact CD2-CB 4.24Å; P145-K149 WeakPolarHBondContact O-CB 3.4Å; P145-K149 PolarHBondContact O-N 3.47Å; P146-K149 PolarHBondContact O-N 3.02Å; K149-R151 PolarHBondContact O-N 3.33Å; K149-Y152 PolarHBondContact O-N 3.14Å; K149-Y152 VanDerWaalsContact O-N 3.16Å; K149-L153 WeakPolarHBondContact O-CG 3.42Å; K149-L153 PolarHBondContact O-N 3.17Å; K149-L153 VanDerWaalsContact O-N 3.15Å |
| 150 | Q | 95.1 | Very high | 94.8 | Very high | 93 Ų | 93 | 75.6 Ų | 75.6 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 179.5 | -167.8 | 62.7 | 25.7 | 0 | 0 | 112.1 | P146 E147 E148 Y152 L153 D154 | P146-Q150 VanDerWaalsContact O-CB 3.25Å; P146-Q150 WeakPolarHBondContact O-CB 3.33Å; P146-Q150 PolarHBondContact O-N 2.86Å; E147-Q150 PolarHBondContact O-N 3.07Å; E148-Q150 VanDerWaalsContact C-N 3.3Å; E148-Q150 PolarHBondContact O-N 2.98Å; Q150-Y152 PolarHBondContact O-N 3.48Å; Q150-L153 WeakPolarHBondContact O-CA 3.47Å; Q150-L153 WeakPolarHBondContact O-CB 3.45Å; Q150-L153 PolarHBondContact O-N 3.22Å; Q150-D154 PolarHBondContact NE2-OD1 3.33Å; Q150-D154 PolarHBondContact O-N 3.37Å |
| 151 | R | 96.3 | Very high | 94.8 | Very high | 126 Ų | 126 | 78.2 Ų | 78.2 | 48% | 0.475 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.1 | -41.9 | 174.7 | -173.5 | -174.7 | 72.2 | -139.5 | -0 | 112.4 | E147 E148 K149 E155 | E147-R151 PolarHBondContact O-N 2.81Å; E147-R151 VanDerWaalsContact O-N 3.15Å; E148-R151 WeakPolarHBondContact O-CB 3.23Å; E148-R151 PolarHBondContact O-N 2.86Å; K149-R151 PolarHBondContact O-N 3.33Å; R151-E155 VanDerWaalsContact O-CB 3.28Å; R151-E155 WeakPolarHBondContact O-CB 3.26Å; R151-E155 PolarHBondContact O-N 2.94Å |
| 152 | Y | 96.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 82.5 Ų | 82.5 | 4% | 0.043 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.9 | -32.4 | 177.6 | -74 | -70.3 | 0 | 0 | 0 | 113.1 | G109 R112 F113 E116 W141 L144 E148 K149 Q150 A156 | G109-Y152 VanDerWaalsContact CA-O 3.23Å; G109-Y152 WeakPolarHBondContact CA-O 3.5Å; R112-Y152 HydrophobicContact CB-CD1 4.38Å; R112-Y152 HydrophobicContact CG-CD1 4.04Å; R112-Y152 HydrophobicContact CG-CE1 4.41Å; F113-Y152 HydrophobicContact CB-CD1 4.07Å; F113-Y152 HydrophobicContact CB-CD2 4.12Å; F113-Y152 HydrophobicContact CB-CE1 4.12Å; F113-Y152 HydrophobicContact CB-CE2 4.18Å; F113-Y152 HydrophobicContact CB-CG 4.08Å; F113-Y152 HydrophobicContact CD2-CD2 4.23Å; F113-Y152 AromaticContact CD2-CE2 3.65Å; F113-Y152 HydrophobicContact CD2-CE2 3.65Å; F113-Y152 AromaticContact CD2-CZ 3.89Å; F113-Y152 HydrophobicContact CG-CE2 4.39Å; E116-Y152 VanDerWaalsContact OE2-CE1 3.23Å; E116-Y152 WeakPolarHBondContact OE2-CE1 3.46Å; E116-Y152 PolarHBondContact OE2-OH 3.4Å; W141-Y152 HydrophobicContact CZ3-CD2 4.08Å; W141-Y152 HydrophobicContact CZ3-CG 4.3Å; L144-Y152 HydrophobicContact CD2-CD2 4.17Å; L144-Y152 HydrophobicContact CD2-CE2 4.27Å; E148-Y152 VanDerWaalsContact O-CD2 3.22Å; E148-Y152 WeakPolarHBondContact O-CD2 3.37Å; E148-Y152 PolarHBondContact O-N 3.04Å; K149-Y152 PolarHBondContact O-N 3.14Å; K149-Y152 VanDerWaalsContact O-N 3.16Å; Q150-Y152 PolarHBondContact O-N 3.48Å; Y152-A156 WeakPolarHBondContact O-CB 3.49Å; Y152-A156 PolarHBondContact O-N 2.78Å; Y152-A156 VanDerWaalsContact O-N 3.12Å |
| 153 | L | 94.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 80 Ų | 80 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.5 | -49.9 | 176.4 | -64.1 | 175.2 | 0 | 0 | 0 | 110.9 | K149 Q150 E155 A156 D157 | K149-L153 WeakPolarHBondContact O-CG 3.42Å; K149-L153 PolarHBondContact O-N 3.17Å; K149-L153 VanDerWaalsContact O-N 3.15Å; Q150-L153 WeakPolarHBondContact O-CA 3.47Å; Q150-L153 WeakPolarHBondContact O-CB 3.45Å; Q150-L153 PolarHBondContact O-N 3.22Å; L153-E155 PolarHBondContact O-N 3.5Å; L153-A156 CarbonylContact O-C 3.6Å; L153-A156 WeakPolarHBondContact O-CA 3.32Å; L153-A156 WeakPolarHBondContact O-CB 3.46Å; L153-A156 PolarHBondContact O-N 2.85Å; L153-D157 PolarHBondContact O-N 2.89Å |
| 154 | D | 95.5 | Very high | 94.4 | Very high | 58 Ų | 58 | 77 Ų | 77 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.6 | -41.7 | 177.8 | -64.6 | -10.7 | 0 | 0 | 0 | 111.5 | Q150 A156 D157 R158 | Q150-D154 PolarHBondContact NE2-OD1 3.33Å; Q150-D154 PolarHBondContact O-N 3.37Å; D154-A156 VanDerWaalsContact C-N 3.35Å; D154-D157 PolarHBondContact O-N 3.34Å; D154-R158 WeakPolarHBondContact O-CG 3.48Å; D154-R158 PolarHBondContact O-N 2.94Å |
| 155 | E | 94.9 | Very high | 94.3 | Very high | 69 Ų | 69 | 82.3 Ų | 82.3 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.2 | -29.2 | 179.1 | -174.6 | 59.8 | -159.3 | 0 | 0 | 112.7 | R112 R151 L153 R158 D159 | R112-E155 IonicContact CZ-OE1 3.99Å; R112-E155 IonicContact NH1-OE1 3.65Å; R112-E155 PolarHBondContact NH1-OE1 2.89Å; R112-E155 IonicContact NH2-OE1 3.29Å; R151-E155 VanDerWaalsContact O-CB 3.28Å; R151-E155 WeakPolarHBondContact O-CB 3.26Å; R151-E155 PolarHBondContact O-N 2.94Å; L153-E155 PolarHBondContact O-N 3.5Å; E155-R158 IonicContact OE2-NH1 2.73Å; E155-R158 PolarHBondContact OE2-NH1 2.94Å; E155-D159 WeakPolarHBondContact O-CB 3.43Å; E155-D159 PolarHBondContact O-N 3.46Å; E155-D159 VanDerWaalsContact O-N 3.17Å |
| 156 | A | 95.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 82.8 Ų | 82.8 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L107 G109 Y152 L153 D154 D159 K160 | L107-A156 WeakPolarHBondContact O-CB 3.48Å; G109-A156 VanDerWaalsContact N-CB 3.26Å; Y152-A156 WeakPolarHBondContact O-CB 3.49Å; Y152-A156 PolarHBondContact O-N 2.78Å; Y152-A156 VanDerWaalsContact O-N 3.12Å; L153-A156 CarbonylContact O-C 3.6Å; L153-A156 WeakPolarHBondContact O-CA 3.32Å; L153-A156 WeakPolarHBondContact O-CB 3.46Å; L153-A156 PolarHBondContact O-N 2.85Å; D154-A156 VanDerWaalsContact C-N 3.35Å; A156-D159 PolarHBondContact O-N 3.3Å; A156-K160 WeakPolarHBondContact O-CB 3.41Å; A156-K160 PolarHBondContact O-N 3.36Å |
| 157 | D | 94.1 | Very high | 94 | Very high | 83 Ų | 83 | 80.7 Ų | 80.7 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.7 | -73.2 | -28.5 | 0 | 0 | 0 | 111.6 | L153 D154 D159 K160 E161 | L153-D157 PolarHBondContact O-N 2.89Å; D154-D157 PolarHBondContact O-N 3.34Å; D157-D159 VanDerWaalsContact C-N 3.3Å; D157-D159 PolarHBondContact O-N 2.88Å; D157-K160 WeakPolarHBondContact O-CB 3.48Å; D157-K160 PolarHBondContact O-N 3.03Å; D157-K160 VanDerWaalsContact O-N 3.14Å; D157-E161 PolarHBondContact O-N 2.93Å |
| 158 | R | 94.6 | Very high | 93.8 | Very high | 137 Ų | 137 | 79.1 Ų | 79.1 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 171.1 | -68.9 | -175.2 | -161.5 | 95.5 | 13.6 | 112.4 | D154 E155 K160 E161 R162 | D154-R158 WeakPolarHBondContact O-CG 3.48Å; D154-R158 PolarHBondContact O-N 2.94Å; E155-R158 IonicContact OE2-NH1 2.73Å; E155-R158 PolarHBondContact OE2-NH1 2.94Å; R158-K160 VanDerWaalsContact C-N 3.32Å; R158-K160 PolarHBondContact O-N 2.65Å; R158-E161 PolarHBondContact O-N 3.4Å; R158-R162 WeakPolarHBondContact O-CB 3.36Å; R158-R162 PolarHBondContact O-N 2.73Å |
| 159 | D | 93.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.07 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 177.6 | -167.3 | 42 | 0 | 0 | 0 | 111.9 | P106 L107 E155 A156 D157 R162 Y163 | P106-D159 WeakPolarHBondContact CA-OD2 3.32Å; P106-D159 HydrophobicContact CB-CB 4.17Å; P106-D159 VanDerWaalsContact CB-OD2 3.27Å; P106-D159 WeakPolarHBondContact CB-OD2 3.43Å; L107-D159 PolarHBondContact N-OD2 3.46Å; E155-D159 WeakPolarHBondContact O-CB 3.43Å; E155-D159 PolarHBondContact O-N 3.46Å; E155-D159 VanDerWaalsContact O-N 3.17Å; A156-D159 PolarHBondContact O-N 3.3Å; D157-D159 VanDerWaalsContact C-N 3.3Å; D157-D159 PolarHBondContact O-N 2.88Å; D159-R162 PolarHBondContact O-N 3.26Å; D159-R162 IonicContact OD1-CZ 2.94Å; D159-R162 IonicContact OD1-NE 2.67Å; D159-R162 PolarHBondContact OD1-NE 2.95Å; D159-R162 IonicContact OD1-NH2 3.41Å; D159-R162 PolarHBondContact OD1-NH2 3.06Å; D159-Y163 WeakPolarHBondContact O-CB 3.37Å; D159-Y163 PolarHBondContact O-N 3.29Å |
| 160 | K | 92.9 | Very high | 93.3 | Very high | 113 Ų | 113 | 79.7 Ų | 79.7 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 173.9 | -176.8 | -173.8 | 175.8 | -171.3 | 0 | 111.6 | P106 A156 D157 R158 R162 Y163 M164 | P106-K160 HydrophobicContact CB-CB 4.46Å; P106-K160 HydrophobicContact CG-CB 4.26Å; A156-K160 WeakPolarHBondContact O-CB 3.41Å; A156-K160 PolarHBondContact O-N 3.36Å; D157-K160 WeakPolarHBondContact O-CB 3.48Å; D157-K160 PolarHBondContact O-N 3.03Å; D157-K160 VanDerWaalsContact O-N 3.14Å; R158-K160 VanDerWaalsContact C-N 3.32Å; R158-K160 PolarHBondContact O-N 2.65Å; K160-R162 PolarHBondContact O-N 3.3Å; K160-Y163 PolarHBondContact O-N 2.93Å; K160-M164 HydrophobicContact CG-SD 4.42Å; K160-M164 WeakPolarHBondContact O-CG 3.34Å; K160-M164 PolarHBondContact O-N 3.44Å |
| 161 | E | 93.4 | Very high | 93 | Very high | 116 Ų | 116 | 79.4 Ų | 79.4 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.4 | -71 | 177.4 | -168.2 | 0 | 0 | 112 | D157 R158 M164 K165 | D157-E161 PolarHBondContact O-N 2.93Å; R158-E161 PolarHBondContact O-N 3.4Å; E161-M164 PolarHBondContact O-N 3.32Å; E161-K165 WeakPolarHBondContact O-CG 3.45Å; E161-K165 PolarHBondContact O-N 2.85Å; E161-K165 VanDerWaalsContact O-N 3.08Å |
| 162 | R | 94.7 | Very high | 92.6 | Very high | 117 Ų | 117 | 80.1 Ų | 80.1 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 175.9 | -176.9 | -84.7 | -63.7 | -140.5 | -8.1 | 111.3 | R158 D159 K160 M164 K165 E166 | R158-R162 WeakPolarHBondContact O-CB 3.36Å; R158-R162 PolarHBondContact O-N 2.73Å; D159-R162 PolarHBondContact O-N 3.26Å; D159-R162 IonicContact OD1-CZ 2.94Å; D159-R162 IonicContact OD1-NE 2.67Å; D159-R162 PolarHBondContact OD1-NE 2.95Å; D159-R162 IonicContact OD1-NH2 3.41Å; D159-R162 PolarHBondContact OD1-NH2 3.06Å; K160-R162 PolarHBondContact O-N 3.3Å; R162-M164 VanDerWaalsContact C-N 3.32Å; R162-M164 PolarHBondContact O-N 3.22Å; R162-K165 PolarHBondContact O-N 3.49Å; R162-E166 WeakPolarHBondContact CD-OE1 3.32Å; R162-E166 IonicContact CZ-OE1 3.3Å; R162-E166 IonicContact NE-OE1 2.99Å; R162-E166 IonicContact NH1-OE1 3.66Å; R162-E166 PolarHBondContact NH1-OE1 3.49Å; R162-E166 VanDerWaalsContact NH1-OE1 3.12Å; R162-E166 IonicContact NH1-OE2 3.18Å; R162-E166 PolarHBondContact NH1-OE2 2.69Å; R162-E166 WeakPolarHBondContact O-CG 3.41Å; R162-E166 PolarHBondContact O-N 3.44Å |
| 163 | Y | 93.8 | Very high | 92.3 | Very high | 48 Ų | 48 | 82.2 Ų | 82.2 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 176.5 | 169.4 | -101.7 | 0 | 0 | 0 | 112.2 | P103 K104 P106 D159 K160 E166 L167 | P103-Y163 HydrophobicContact CB-CD2 3.85Å; P103-Y163 HydrophobicContact CB-CE2 3.91Å; K104-Y163 WeakPolarHBondContact O-CD2 3.39Å; P106-Y163 HydrophobicContact CG-CD1 4.19Å; P106-Y163 HydrophobicContact CG-CG 4.23Å; D159-Y163 WeakPolarHBondContact O-CB 3.37Å; D159-Y163 PolarHBondContact O-N 3.29Å; K160-Y163 PolarHBondContact O-N 2.93Å; Y163-E166 PolarHBondContact O-N 3.17Å; Y163-L167 HydrophobicContact CE1-CB 4.48Å; Y163-L167 HydrophobicContact CE1-CD2 3.84Å; Y163-L167 WeakPolarHBondContact O-CB 3.35Å; Y163-L167 PolarHBondContact O-N 3.35Å |
| 164 | M | 89.8 | Confident | 91.9 | Very high | 114 Ų | 114 | 85 Ų | 85 | 56% | 0.562 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 178.4 | -74.2 | 179.2 | 66.9 | 0 | 0 | 111.8 | K160 E161 R162 L167 E168 | K160-M164 HydrophobicContact CG-SD 4.42Å; K160-M164 WeakPolarHBondContact O-CG 3.34Å; K160-M164 PolarHBondContact O-N 3.44Å; E161-M164 PolarHBondContact O-N 3.32Å; R162-M164 VanDerWaalsContact C-N 3.32Å; R162-M164 PolarHBondContact O-N 3.22Å; M164-L167 PolarHBondContact O-N 2.92Å; M164-E168 PolarHBondContact O-N 2.83Å |
| 165 | K | 91.8 | Very high | 91.5 | Very high | 136 Ų | 136 | 83.7 Ų | 83.7 | 59% | 0.591 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62 | -48.6 | 175.5 | -68.7 | 175 | -176.8 | 173.7 | 0 | 111.9 | E161 R162 L167 E168 Q169 | E161-K165 WeakPolarHBondContact O-CG 3.45Å; E161-K165 PolarHBondContact O-N 2.85Å; E161-K165 VanDerWaalsContact O-N 3.08Å; R162-K165 PolarHBondContact O-N 3.49Å; K165-L167 VanDerWaalsContact C-N 3.31Å; K165-L167 PolarHBondContact O-N 2.96Å; K165-E168 PolarHBondContact O-N 2.95Å; K165-Q169 WeakPolarHBondContact O-CG 3.43Å; K165-Q169 PolarHBondContact O-N 2.9Å; K165-Q169 VanDerWaalsContact O-N 3.1Å |
| 166 | E | 92.5 | Very high | 91.2 | Very high | 66 Ų | 66 | 84 Ų | 84 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 176.8 | -71.8 | 180 | 177.2 | 0 | 0 | 111.8 | P103 R162 Y163 Q169 Y170 | P103-E166 HydrophobicContact CB-CB 3.91Å; P103-E166 HydrophobicContact CG-CB 3.71Å; R162-E166 WeakPolarHBondContact CD-OE1 3.32Å; R162-E166 IonicContact CZ-OE1 3.3Å; R162-E166 IonicContact NE-OE1 2.99Å; R162-E166 IonicContact NH1-OE1 3.66Å; R162-E166 PolarHBondContact NH1-OE1 3.49Å; R162-E166 VanDerWaalsContact NH1-OE1 3.12Å; R162-E166 IonicContact NH1-OE2 3.18Å; R162-E166 PolarHBondContact NH1-OE2 2.69Å; R162-E166 WeakPolarHBondContact O-CG 3.41Å; R162-E166 PolarHBondContact O-N 3.44Å; Y163-E166 PolarHBondContact O-N 3.17Å; E166-Q169 PolarHBondContact O-N 3.4Å; E166-Y170 VanDerWaalsContact O-CB 3.27Å; E166-Y170 WeakPolarHBondContact O-CB 3.3Å; E166-Y170 PolarHBondContact O-N 2.92Å |
| 167 | L | 90.1 | Very high | 90.8 | Very high | 47 Ų | 47 | 88.8 Ų | 88.8 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | 179.4 | -175.1 | 68.8 | 0 | 0 | 0 | 111.5 | Y163 M164 K165 Y170 Q171 | Y163-L167 HydrophobicContact CE1-CB 4.48Å; Y163-L167 HydrophobicContact CE1-CD2 3.84Å; Y163-L167 WeakPolarHBondContact O-CB 3.35Å; Y163-L167 PolarHBondContact O-N 3.35Å; M164-L167 PolarHBondContact O-N 2.92Å; K165-L167 VanDerWaalsContact C-N 3.31Å; K165-L167 PolarHBondContact O-N 2.96Å; L167-Y170 HydrophobicContact CD1-CD1 4.27Å; L167-Y170 PolarHBondContact O-N 3.43Å; L167-Q171 WeakPolarHBondContact O-CB 3.23Å; L167-Q171 VanDerWaalsContact O-CG 3.25Å; L167-Q171 WeakPolarHBondContact O-CG 3.48Å; L167-Q171 PolarHBondContact O-N 3.06Å; L167-Q171 PolarHBondContact O-NE2 3.39Å |
| 168 | E | 90.2 | Very high | 90.5 | Very high | 105 Ų | 105 | 89.5 Ų | 89.5 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.5 | -164 | -158.1 | 148.1 | 0 | 0 | 111.3 | M164 K165 Q171 K172 | M164-E168 PolarHBondContact O-N 2.83Å; K165-E168 PolarHBondContact O-N 2.95Å; E168-Q171 PolarHBondContact O-N 3.17Å; E168-K172 WeakPolarHBondContact OE1-CE 3.43Å; E168-K172 IonicContact OE1-NZ 3.2Å; E168-K172 PolarHBondContact OE1-NZ 3.14Å |
| 169 | Q | 89.9 | Confident | 90.2 | Very high | 132 Ų | 132 | 85 Ų | 85 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 175.4 | -70.4 | 176.8 | -10.9 | 0 | 0 | 111.5 | K165 E166 Q171 K172 | K165-Q169 WeakPolarHBondContact O-CG 3.43Å; K165-Q169 PolarHBondContact O-N 2.9Å; K165-Q169 VanDerWaalsContact O-N 3.1Å; E166-Q169 PolarHBondContact O-N 3.4Å; Q169-Q171 VanDerWaalsContact C-N 3.32Å; Q169-Q171 PolarHBondContact O-N 3.4Å; Q169-K172 WeakPolarHBondContact O-CB 3.24Å; Q169-K172 PolarHBondContact O-N 2.98Å; Q169-K172 VanDerWaalsContact O-N 3.09Å |
| 170 | Y | 89.6 | Confident | 89.8 | Confident | 16 Ų | 16 | 86.1 Ų | 86.1 | 6% | 0.063 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 177.7 | 170.6 | -111.4 | 0 | 0 | 0 | 112.2 | D99 N101 A102 P103 E166 L167 K172 T173 A175 Y176 | D99-Y170 WeakPolarHBondContact CB-OH 3.35Å; D99-Y170 VanDerWaalsContact CG-OH 3.23Å; D99-Y170 PolarHBondContact OD2-OH 3.27Å; N101-Y170 HydrophobicContact CB-CE2 3.98Å; N101-Y170 WeakPolarHBondContact O-CD2 3.23Å; A102-Y170 HydrophobicContact CB-CD1 4.3Å; A102-Y170 HydrophobicContact CB-CE1 3.66Å; A102-Y170 HydrophobicContact CB-CE2 4.44Å; P103-Y170 HydrophobicContact CG-CG 4.37Å; E166-Y170 VanDerWaalsContact O-CB 3.27Å; E166-Y170 WeakPolarHBondContact O-CB 3.3Å; E166-Y170 PolarHBondContact O-N 2.92Å; L167-Y170 HydrophobicContact CD1-CD1 4.27Å; L167-Y170 PolarHBondContact O-N 3.43Å; Y170-K172 PolarHBondContact O-N 3.03Å; Y170-K172 VanDerWaalsContact O-N 3.15Å; Y170-T173 WeakPolarHBondContact O-CB 3.41Å; Y170-T173 PolarHBondContact O-N 3.37Å; Y170-T173 PolarHBondContact O-OG1 3.41Å; Y170-A175 HydrophobicContact CE2-CB 4.29Å; Y170-Y176 AromaticContact CD1-CD2 3.99Å; Y170-Y176 HydrophobicContact CD1-CD2 3.99Å; Y170-Y176 AromaticContact CE1-CD2 3.44Å; Y170-Y176 HydrophobicContact CE1-CD2 3.44Å; Y170-Y176 VanDerWaalsContact CE1-CD2 3.44Å; Y170-Y176 HydrophobicContact CE1-CE2 4.28Å; Y170-Y176 HydrophobicContact CE1-CG 4.22Å; Y170-Y176 AromaticContact CZ-CD2 3.99Å; Y170-Y176 WeakPolarHBondContact O-CB 3.39Å |
| 171 | Q | 88.5 | Confident | 89.5 | Confident | 87 Ų | 87 | 88.9 Ų | 88.9 | 41% | 0.407 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.1 | -24.3 | 177.2 | -78 | 175.4 | 74.5 | 0 | 0 | 113.7 | L167 E168 Q169 T173 Y176 | L167-Q171 WeakPolarHBondContact O-CB 3.23Å; L167-Q171 VanDerWaalsContact O-CG 3.25Å; L167-Q171 WeakPolarHBondContact O-CG 3.48Å; L167-Q171 PolarHBondContact O-N 3.06Å; L167-Q171 PolarHBondContact O-NE2 3.39Å; E168-Q171 PolarHBondContact O-N 3.17Å; Q169-Q171 VanDerWaalsContact C-N 3.32Å; Q169-Q171 PolarHBondContact O-N 3.4Å; Q171-T173 VanDerWaalsContact C-N 3.35Å; Q171-Y176 HydrophobicContact CB-CD1 4.13Å; Q171-Y176 HydrophobicContact CB-CE1 4.14Å; Q171-Y176 HydrophobicContact CB-CG 4.49Å; Q171-Y176 HydrophobicContact CG-CD1 4.23Å; Q171-Y176 HydrophobicContact CG-CD2 4.32Å; Q171-Y176 HydrophobicContact CG-CE1 3.91Å; Q171-Y176 HydrophobicContact CG-CE2 4.01Å; Q171-Y176 HydrophobicContact CG-CG 4.41Å; Q171-Y176 WeakPolarHBondContact O-CD1 3.46Å |
| 172 | K | 89.4 | Confident | 89.2 | Confident | 141 Ų | 141 | 89.4 Ų | 89.4 | 61% | 0.613 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.3 | 176.7 | -62.4 | 172.1 | -171.3 | 171.8 | 0 | 113.1 | E168 Q169 Y170 | E168-K172 WeakPolarHBondContact OE1-CE 3.43Å; E168-K172 IonicContact OE1-NZ 3.2Å; E168-K172 PolarHBondContact OE1-NZ 3.14Å; Q169-K172 WeakPolarHBondContact O-CB 3.24Å; Q169-K172 PolarHBondContact O-N 2.98Å; Q169-K172 VanDerWaalsContact O-N 3.09Å; Y170-K172 PolarHBondContact O-N 3.03Å; Y170-K172 VanDerWaalsContact O-N 3.15Å |
| 173 | T | 88.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 86 Ų | 86 | 34% | 0.337 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -82 | 154.2 | -176.5 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | Y170 Q171 A175 Y176 K177 | Y170-T173 WeakPolarHBondContact O-CB 3.41Å; Y170-T173 PolarHBondContact O-N 3.37Å; Y170-T173 PolarHBondContact O-OG1 3.41Å; Q171-T173 VanDerWaalsContact C-N 3.35Å; T173-A175 PolarHBondContact O-N 3.4Å; T173-Y176 PolarHBondContact O-N 2.93Å; T173-Y176 PolarHBondContact OG1-N 3.35Å; T173-K177 PolarHBondContact O-N 3.12Å |
| 174 | E | 86.9 | Confident | 88.2 | Confident | 120 Ų | 120 | 88.8 Ų | 88.8 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.6 | -32 | 171.3 | -70.7 | -55.1 | 121.9 | 0 | 0 | 112.5 | Y176 K177 V178 | E174-Y176 VanDerWaalsContact C-N 3.29Å; E174-Y176 PolarHBondContact O-N 3.17Å; E174-K177 PolarHBondContact O-N 3.28Å; E174-K177 VanDerWaalsContact O-N 3.15Å; E174-K177 WeakPolarHBondContact OE1-CD 3.49Å; E174-K177 WeakPolarHBondContact OE1-CE 3.39Å; E174-K177 IonicContact OE1-NZ 2.78Å; E174-K177 PolarHBondContact OE1-NZ 3.47Å; E174-V178 WeakPolarHBondContact O-CG2 3.25Å; E174-V178 PolarHBondContact O-N 3.03Å |
| 175 | A | 87.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 87.6 Ų | 87.6 | 26% | 0.264 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N101 Y170 T173 K177 V178 F179 | N101-A175 HydrophobicContact CB-CB 4.34Å; Y170-A175 HydrophobicContact CE2-CB 4.29Å; T173-A175 PolarHBondContact O-N 3.4Å; A175-K177 PolarHBondContact O-N 3.44Å; A175-V178 PolarHBondContact O-N 2.82Å; A175-F179 WeakPolarHBondContact O-CB 3.41Å; A175-F179 PolarHBondContact O-N 3.42Å |
| 176 | Y | 87.6 | Confident | 87.2 | Confident | 76 Ų | 76 | 86 Ų | 86 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.9 | 179.5 | -108.4 | 0 | 0 | 0 | 113 | Y170 Q171 T173 E174 F179 S180 | Y170-Y176 AromaticContact CD1-CD2 3.99Å; Y170-Y176 HydrophobicContact CD1-CD2 3.99Å; Y170-Y176 AromaticContact CE1-CD2 3.44Å; Y170-Y176 HydrophobicContact CE1-CD2 3.44Å; Y170-Y176 VanDerWaalsContact CE1-CD2 3.44Å; Y170-Y176 HydrophobicContact CE1-CE2 4.28Å; Y170-Y176 HydrophobicContact CE1-CG 4.22Å; Y170-Y176 AromaticContact CZ-CD2 3.99Å; Y170-Y176 WeakPolarHBondContact O-CB 3.39Å; Q171-Y176 HydrophobicContact CB-CD1 4.13Å; Q171-Y176 HydrophobicContact CB-CE1 4.14Å; Q171-Y176 HydrophobicContact CB-CG 4.49Å; Q171-Y176 HydrophobicContact CG-CD1 4.23Å; Q171-Y176 HydrophobicContact CG-CD2 4.32Å; Q171-Y176 HydrophobicContact CG-CE1 3.91Å; Q171-Y176 HydrophobicContact CG-CE2 4.01Å; Q171-Y176 HydrophobicContact CG-CG 4.41Å; Q171-Y176 WeakPolarHBondContact O-CD1 3.46Å; T173-Y176 PolarHBondContact O-N 2.93Å; T173-Y176 PolarHBondContact OG1-N 3.35Å; E174-Y176 VanDerWaalsContact C-N 3.29Å; E174-Y176 PolarHBondContact O-N 3.17Å; Y176-F179 PolarHBondContact O-N 3.2Å; Y176-S180 VanDerWaalsContact O-CB 3.25Å; Y176-S180 WeakPolarHBondContact O-CB 3.28Å; Y176-S180 PolarHBondContact O-N 3.07Å; Y176-S180 PolarHBondContact O-OG 2.89Å |
| 177 | K | 87.4 | Confident | 86.3 | Confident | 110 Ų | 110 | 89.6 Ų | 89.6 | 48% | 0.478 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.7 | -64.5 | 179.8 | -172.9 | 167 | 0 | 111.5 | T173 E174 A175 S180 R181 | T173-K177 PolarHBondContact O-N 3.12Å; E174-K177 PolarHBondContact O-N 3.28Å; E174-K177 VanDerWaalsContact O-N 3.15Å; E174-K177 WeakPolarHBondContact OE1-CD 3.49Å; E174-K177 WeakPolarHBondContact OE1-CE 3.39Å; E174-K177 IonicContact OE1-NZ 2.78Å; E174-K177 PolarHBondContact OE1-NZ 3.47Å; A175-K177 PolarHBondContact O-N 3.44Å; K177-S180 PolarHBondContact O-N 3.34Å; K177-R181 WeakPolarHBondContact O-CB 3.23Å; K177-R181 PolarHBondContact O-N 3.15Å |
| 178 | V | 88.4 | Confident | 85.5 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.4 | -44.7 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | E174 A175 R181 K182 | E174-V178 WeakPolarHBondContact O-CG2 3.25Å; E174-V178 PolarHBondContact O-N 3.03Å; A175-V178 PolarHBondContact O-N 2.82Å; V178-R181 PolarHBondContact O-N 3.08Å; V178-K182 WeakPolarHBondContact O-CB 3.41Å; V178-K182 PolarHBondContact O-N 3.14Å |
| 179 | F | 87.5 | Confident | 84.3 | Confident | 41 Ų | 41 | 90.6 Ų | 90.6 | 18% | 0.18 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 177.1 | 179.7 | -100.7 | 0 | 0 | 0 | 112.6 | L97 D99 A175 Y176 R181 K182 T183 | L97-F179 HydrophobicContact CG-CE2 4.48Å; L97-F179 VanDerWaalsContact O-CZ 3.3Å; L97-F179 WeakPolarHBondContact O-CZ 3.44Å; D99-F179 HydrophobicContact CB-CB 4.5Å; D99-F179 HydrophobicContact CB-CD1 4.32Å; D99-F179 HydrophobicContact CB-CD2 3.49Å; D99-F179 VanDerWaalsContact CB-CD2 3.49Å; D99-F179 HydrophobicContact CB-CE1 4.46Å; D99-F179 HydrophobicContact CB-CE2 3.67Å; D99-F179 HydrophobicContact CB-CG 3.85Å; D99-F179 HydrophobicContact CB-CZ 4.16Å; D99-F179 VanDerWaalsContact N-CE2 3.34Å; D99-F179 WeakPolarHBondContact OD2-CB 3.34Å; D99-F179 WeakPolarHBondContact OD2-CD2 3.47Å; D99-F179 WeakPolarHBondContact OD2-CG 3.33Å; A175-F179 WeakPolarHBondContact O-CB 3.41Å; A175-F179 PolarHBondContact O-N 3.42Å; Y176-F179 PolarHBondContact O-N 3.2Å; F179-R181 PolarHBondContact O-N 3.45Å; F179-K182 PolarHBondContact O-N 3.25Å; F179-T183 HydrophobicContact CD1-CG2 4.19Å; F179-T183 HydrophobicContact CD2-CG2 4.36Å; F179-T183 HydrophobicContact CE1-CG2 3.76Å; F179-T183 HydrophobicContact CE2-CG2 3.95Å; F179-T183 HydrophobicContact CG-CG2 4.48Å; F179-T183 HydrophobicContact CZ-CG2 3.63Å; F179-T183 WeakPolarHBondContact O-CG2 3.48Å; F179-T183 PolarHBondContact O-N 2.94Å; F179-T183 PolarHBondContact O-OG1 3.49Å; F179-T183 VanDerWaalsContact O-OG1 3.08Å |
| 180 | S | 86.2 | Confident | 83.1 | Confident | 37 Ų | 37 | 90.7 Ų | 90.7 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -43 | 176.8 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | Y176 K177 T183 Q184 | Y176-S180 VanDerWaalsContact O-CB 3.25Å; Y176-S180 WeakPolarHBondContact O-CB 3.28Å; Y176-S180 PolarHBondContact O-N 3.07Å; Y176-S180 PolarHBondContact O-OG 2.89Å; K177-S180 PolarHBondContact O-N 3.34Å; S180-T183 WeakPolarHBondContact CA-OG1 3.22Å; S180-T183 PolarHBondContact O-N 3.08Å; S180-T183 PolarHBondContact O-OG1 3.14Å; S180-Q184 WeakPolarHBondContact O-CB 3.47Å; S180-Q184 PolarHBondContact O-N 3.44Å |
| 181 | R | 86.7 | Confident | 81.7 | Confident | 172 Ų | 172 | 93 Ų | 93 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62 | -49.1 | 174.1 | -168.7 | 178.5 | -62.1 | -174.6 | 1.2 | 111.8 | K177 V178 F179 T183 Q184 D185 | K177-R181 WeakPolarHBondContact O-CB 3.23Å; K177-R181 PolarHBondContact O-N 3.15Å; V178-R181 PolarHBondContact O-N 3.08Å; F179-R181 PolarHBondContact O-N 3.45Å; R181-T183 VanDerWaalsContact C-N 3.3Å; R181-T183 PolarHBondContact O-N 3.32Å; R181-Q184 WeakPolarHBondContact O-CB 3.46Å; R181-Q184 PolarHBondContact O-N 3.4Å; R181-Q184 VanDerWaalsContact O-N 3.13Å; R181-D185 VanDerWaalsContact O-CG 3.32Å; R181-D185 PolarHBondContact O-N 3.18Å |
| 182 | K | 86 | Confident | 80.2 | Confident | 127 Ų | 127 | 95.6 Ų | 95.6 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.8 | -37 | 178.9 | -174.1 | 173.8 | -174.1 | 171.5 | 0 | 113 | L97 V178 F179 R186 | L97-K182 HydrophobicContact CD2-CD 4.03Å; L97-K182 HydrophobicContact CD2-CG 4.37Å; V178-K182 WeakPolarHBondContact O-CB 3.41Å; V178-K182 PolarHBondContact O-N 3.14Å; F179-K182 PolarHBondContact O-N 3.25Å; K182-R186 WeakPolarHBondContact O-CB 3.42Å; K182-R186 PolarHBondContact O-N 3.23Å |
| 183 | T | 84.7 | Confident | 78.7 | Confident | 46 Ų | 46 | 98.4 Ų | 98.4 | 28% | 0.282 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 176.3 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | F179 S180 R181 R186 Q187 | F179-T183 HydrophobicContact CD1-CG2 4.19Å; F179-T183 HydrophobicContact CD2-CG2 4.36Å; F179-T183 HydrophobicContact CE1-CG2 3.76Å; F179-T183 HydrophobicContact CE2-CG2 3.95Å; F179-T183 HydrophobicContact CG-CG2 4.48Å; F179-T183 HydrophobicContact CZ-CG2 3.63Å; F179-T183 WeakPolarHBondContact O-CG2 3.48Å; F179-T183 PolarHBondContact O-N 2.94Å; F179-T183 PolarHBondContact O-OG1 3.49Å; F179-T183 VanDerWaalsContact O-OG1 3.08Å; S180-T183 WeakPolarHBondContact CA-OG1 3.22Å; S180-T183 PolarHBondContact O-N 3.08Å; S180-T183 PolarHBondContact O-OG1 3.14Å; R181-T183 VanDerWaalsContact C-N 3.3Å; R181-T183 PolarHBondContact O-N 3.32Å; T183-R186 PolarHBondContact O-N 2.95Å; T183-Q187 WeakPolarHBondContact O-CG 3.49Å; T183-Q187 PolarHBondContact O-N 3.47Å; T183-Q187 VanDerWaalsContact O-N 3.15Å |
| 184 | Q | 82.4 | Confident | 77.3 | Confident | 106 Ų | 106 | 102 Ų | 102 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 174.9 | -167 | -177.6 | 40 | 0 | 0 | 112.4 | S180 R181 R186 Q187 K188 | S180-Q184 WeakPolarHBondContact O-CB 3.47Å; S180-Q184 PolarHBondContact O-N 3.44Å; R181-Q184 WeakPolarHBondContact O-CB 3.46Å; R181-Q184 PolarHBondContact O-N 3.4Å; R181-Q184 VanDerWaalsContact O-N 3.13Å; Q184-R186 VanDerWaalsContact C-N 3.25Å; Q184-R186 PolarHBondContact O-N 2.67Å; Q184-Q187 WeakPolarHBondContact O-CB 3.4Å; Q184-Q187 PolarHBondContact O-N 3.2Å; Q184-K188 PolarHBondContact O-N 2.68Å |
| 185 | D | 82 | Confident | 75.8 | Confident | 89 Ų | 89 | 99.3 Ų | 99.3 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 178.6 | -67.5 | -27.4 | 0 | 0 | 0 | 111.7 | R181 Q187 K188 G189 | R181-D185 VanDerWaalsContact O-CG 3.32Å; R181-D185 PolarHBondContact O-N 3.18Å; D185-Q187 VanDerWaalsContact C-N 3.34Å; D185-Q187 PolarHBondContact O-N 3.24Å; D185-K188 PolarHBondContact O-N 3.16Å; D185-G189 PolarHBondContact O-N 2.99Å |
| 186 | R | 79.9 | Confident | 74.4 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 39% | 0.389 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.9 | -30.2 | 176.1 | -168.6 | 175.2 | 178.3 | -168.3 | -2.6 | 112.8 | K182 T183 Q184 K190 | K182-R186 WeakPolarHBondContact O-CB 3.42Å; K182-R186 PolarHBondContact O-N 3.23Å; T183-R186 PolarHBondContact O-N 2.95Å; Q184-R186 VanDerWaalsContact C-N 3.25Å; Q184-R186 PolarHBondContact O-N 2.67Å; R186-K190 WeakPolarHBondContact O-CG 3.41Å; R186-K190 PolarHBondContact O-N 3.32Å |
| 187 | Q | 73.5 | Confident | 72.9 | Confident | 141 Ų | 141 | 99.8 Ų | 99.8 | 66% | 0.659 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.8 | -45.1 | 172.7 | -73.3 | -175.7 | 7.3 | 0 | 0 | 110.8 | T183 Q184 D185 G189 K190 S191 | T183-Q187 WeakPolarHBondContact O-CG 3.49Å; T183-Q187 PolarHBondContact O-N 3.47Å; T183-Q187 VanDerWaalsContact O-N 3.15Å; Q184-Q187 WeakPolarHBondContact O-CB 3.4Å; Q184-Q187 PolarHBondContact O-N 3.2Å; D185-Q187 VanDerWaalsContact C-N 3.34Å; D185-Q187 PolarHBondContact O-N 3.24Å; Q187-G189 PolarHBondContact O-N 3Å; Q187-K190 WeakPolarHBondContact O-CB 3.26Å; Q187-K190 PolarHBondContact O-N 2.99Å; Q187-K190 VanDerWaalsContact O-N 3.11Å; Q187-S191 PolarHBondContact O-N 3.42Å; Q187-S191 VanDerWaalsContact O-N 3.1Å |
| 188 | K | 73.4 | Confident | 71.4 | Confident | 130 Ų | 130 | 102.8 Ų | 102.8 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.2 | -45.7 | 174.5 | -71.4 | -179 | 177.9 | 176.8 | 0 | 112.1 | Q184 D185 K190 S191 H192 | Q184-K188 PolarHBondContact O-N 2.68Å; D185-K188 PolarHBondContact O-N 3.16Å; K188-K190 VanDerWaalsContact C-N 3.26Å; K188-K190 PolarHBondContact O-N 3.42Å; K188-S191 PolarHBondContact O-N 3.5Å; K188-S191 VanDerWaalsContact O-N 3.14Å; K188-H192 PolarHBondContact O-N 3.24Å |
| 189 | G | 64.8 | Low | 69.8 | Low | 43 Ų | 43 | 104.4 Ų | 104.4 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -25.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D185 Q187 R193 | D185-G189 PolarHBondContact O-N 2.99Å; Q187-G189 PolarHBondContact O-N 3Å; G189-R193 WeakPolarHBondContact O-CB 3.32Å; G189-R193 PolarHBondContact O-N 3.3Å |
| 190 | K | 63.9 | Low | 68.2 | Low | 134 Ų | 134 | 106 Ų | 106 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75.4 | -39.1 | 172 | -80.3 | 176.3 | 177.6 | 179.6 | 0 | 112.1 | R186 Q187 K188 R193 Q194 | R186-K190 WeakPolarHBondContact O-CG 3.41Å; R186-K190 PolarHBondContact O-N 3.32Å; Q187-K190 WeakPolarHBondContact O-CB 3.26Å; Q187-K190 PolarHBondContact O-N 2.99Å; Q187-K190 VanDerWaalsContact O-N 3.11Å; K188-K190 VanDerWaalsContact C-N 3.26Å; K188-K190 PolarHBondContact O-N 3.42Å; K190-R193 PolarHBondContact O-N 2.91Å; K190-Q194 PolarHBondContact O-N 3.09Å; K190-Q194 VanDerWaalsContact O-N 3.15Å |
| 191 | S | 59.4 | Low | 66.6 | Low | 63 Ų | 63 | 109.8 Ų | 109.8 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 173.9 | -159.2 | 0 | 0 | 0 | 0 | 110 | Q187 K188 R193 Q194 D195 | Q187-S191 PolarHBondContact O-N 3.42Å; Q187-S191 VanDerWaalsContact O-N 3.1Å; K188-S191 PolarHBondContact O-N 3.5Å; K188-S191 VanDerWaalsContact O-N 3.14Å; S191-R193 PolarHBondContact O-N 3.26Å; S191-R193 VanDerWaalsContact O-N 3.16Å; S191-Q194 CarbonylContact O-C 3.56Å; S191-Q194 WeakPolarHBondContact O-CA 3.5Å; S191-Q194 WeakPolarHBondContact O-CB 3.45Å; S191-Q194 PolarHBondContact O-N 2.84Å; S191-D195 PolarHBondContact O-N 3.17Å; S191-D195 VanDerWaalsContact O-OD2 3.11Å |
| 192 | H | 58 | Low | 64.8 | Low | 142 Ų | 142 | 107.1 Ų | 107.1 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.3 | -30.5 | -177.5 | -156 | 30.3 | 0 | 0 | 0 | 113.2 | K188 A196 | K188-H192 PolarHBondContact O-N 3.24Å; H192-A196 VanDerWaalsContact O-CB 3.28Å; H192-A196 WeakPolarHBondContact O-CB 3.36Å; H192-A196 PolarHBondContact O-N 3.35Å |
| 193 | R | 58.4 | Low | 62.8 | Low | 201 Ų | 201 | 107.7 Ų | 107.7 | 76% | 0.758 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -75.6 | -27.7 | 173.6 | -166.6 | 173.4 | 175.7 | 165.9 | 3.1 | 113.2 | G189 K190 S191 A197 | G189-R193 WeakPolarHBondContact O-CB 3.32Å; G189-R193 PolarHBondContact O-N 3.3Å; K190-R193 PolarHBondContact O-N 2.91Å; S191-R193 PolarHBondContact O-N 3.26Å; S191-R193 VanDerWaalsContact O-N 3.16Å; R193-A197 WeakPolarHBondContact O-CB 3.37Å; R193-A197 PolarHBondContact O-N 3.15Å |
| 194 | Q | 57.7 | Low | 60.9 | Low | 131 Ų | 131 | 114.3 Ų | 114.3 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73 | -39 | 170.7 | -107.2 | 177.2 | 6.3 | 0 | 0 | 111 | K190 S191 A197 R198 | K190-Q194 PolarHBondContact O-N 3.09Å; K190-Q194 VanDerWaalsContact O-N 3.15Å; S191-Q194 CarbonylContact O-C 3.56Å; S191-Q194 WeakPolarHBondContact O-CA 3.5Å; S191-Q194 WeakPolarHBondContact O-CB 3.45Å; S191-Q194 PolarHBondContact O-N 2.84Å; Q194-A197 PolarHBondContact O-N 2.91Å; Q194-R198 WeakPolarHBondContact O-CG 3.47Å; Q194-R198 PolarHBondContact O-N 2.97Å |
| 195 | D | 57.1 | Low | 59.1 | Low | 62 Ų | 62 | 116.3 Ų | 116.3 | 33% | 0.332 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.4 | -43.4 | 177.8 | -62.3 | -38.2 | 0 | 0 | 0 | 111.6 | S191 A197 R198 Q199 | S191-D195 PolarHBondContact O-N 3.17Å; S191-D195 VanDerWaalsContact O-OD2 3.11Å; D195-A197 VanDerWaalsContact C-N 3.29Å; D195-A197 PolarHBondContact O-N 3.27Å; D195-R198 CarbonylContact O-C 3.59Å; D195-R198 WeakPolarHBondContact O-CB 2.9Å; D195-R198 PolarHBondContact O-N 2.98Å; D195-Q199 PolarHBondContact O-N 3.18Å |
| 196 | A | 57.1 | Low | 57 | Low | 56 Ų | 56 | 121.1 Ų | 121.1 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.5 | -32 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H192 R198 Q199 A200 | H192-A196 VanDerWaalsContact O-CB 3.28Å; H192-A196 WeakPolarHBondContact O-CB 3.36Å; H192-A196 PolarHBondContact O-N 3.35Å; A196-R198 VanDerWaalsContact C-N 3.32Å; A196-Q199 PolarHBondContact O-N 2.81Å; A196-A200 PolarHBondContact O-N 3.39Å; A196-A200 VanDerWaalsContact O-N 3.08Å |
| 197 | A | 56.8 | Low | 54.9 | Low | 63 Ų | 63 | 124.7 Ų | 124.7 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.7 | -25.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R193 Q194 D195 | R193-A197 WeakPolarHBondContact O-CB 3.37Å; R193-A197 PolarHBondContact O-N 3.15Å; Q194-A197 PolarHBondContact O-N 2.91Å; D195-A197 VanDerWaalsContact C-N 3.29Å; D195-A197 PolarHBondContact O-N 3.27Å |
| 198 | R | 55.6 | Low | 53.4 | Low | 173 Ų | 173 | 124.5 Ų | 124.5 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.7 | -31.8 | 171.1 | -71.6 | 172.1 | 170 | -178.1 | -6.4 | 111.9 | Q194 D195 A196 T201 | Q194-R198 WeakPolarHBondContact O-CG 3.47Å; Q194-R198 PolarHBondContact O-N 2.97Å; D195-R198 CarbonylContact O-C 3.59Å; D195-R198 WeakPolarHBondContact O-CB 2.9Å; D195-R198 PolarHBondContact O-N 2.98Å; A196-R198 VanDerWaalsContact C-N 3.32Å; R198-T201 PolarHBondContact O-OG1 3.03Å |
| 199 | Q | 54.2 | Low | 51.8 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70 | -41.1 | 176.8 | -139.7 | 111.2 | 27.8 | 0 | 0 | 112 | D195 A196 T201 H202 D203 | D195-Q199 PolarHBondContact O-N 3.18Å; A196-Q199 PolarHBondContact O-N 2.81Å; Q199-T201 PolarHBondContact O-N 3.48Å; Q199-H202 WeakPolarHBondContact O-CA 3.37Å; Q199-H202 WeakPolarHBondContact O-CB 3.23Å; Q199-H202 PolarHBondContact O-N 3.35Å; Q199-D203 PolarHBondContact O-N 3.26Å |
| 200 | A | 54.3 | Low | 51.1 | Low | 74 Ų | 74 | 130 Ų | 130 | 61% | 0.612 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -16 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A196 | A196-A200 PolarHBondContact O-N 3.39Å; A196-A200 VanDerWaalsContact O-N 3.08Å |
| 201 | T | 53.6 | Low | 50.4 | Low | 117 Ų | 117 | 131.1 Ų | 131.1 | 72% | 0.718 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -10.9 | 169.9 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | R198 Q199 | R198-T201 PolarHBondContact O-OG1 3.03Å; Q199-T201 PolarHBondContact O-N 3.48Å |
| 202 | H | 47.4 | Very low | 49.9 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 53% | 0.532 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.7 | -11.2 | -175 | -158.8 | -44.1 | 0 | 0 | 0 | 113.2 | Q199 H204 E205 | Q199-H202 WeakPolarHBondContact O-CA 3.37Å; Q199-H202 WeakPolarHBondContact O-CB 3.23Å; Q199-H202 PolarHBondContact O-N 3.35Å; H202-H204 PolarHBondContact O-N 2.91Å; H202-E205 PolarHBondContact CE1-O 2.8Å; H202-E205 PolarHBondContact ND1-O 2.91Å; H202-E205 PolarHBondContact O-N 3.31Å |
| 203 | D | 44.3 | Very low | 49.9 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -0.8 | 179.3 | -80.8 | -39.6 | 0 | 0 | 0 | 114.7 | Q199 | Q199-D203 PolarHBondContact O-N 3.26Š|
| 204 | H | 45.1 | Very low | 50.2 | Low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.856 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -1.6 | 170.9 | -130.3 | -45.4 | 0 | 0 | 0 | 115 | H202 | H202-H204 PolarHBondContact O-N 2.91Š|
| 205 | E | 45.3 | Very low | 50.8 | Low | 149 Ų | 149 | 128.2 Ų | 128.2 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | trans | -128.7 | 86.5 | 178.9 | -69.1 | -179 | 170.8 | 0 | 0 | 109.7 | H202 | H202-E205 PolarHBondContact CE1-O 2.8Å; H202-E205 PolarHBondContact ND1-O 2.91Å; H202-E205 PolarHBondContact O-N 3.31Å | ||
| 206 | K | 37.6 | Very low | 51.6 | Low | 190 Ų | 190 | 134.3 Ų | 134.3 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | trans | -73.6 | 142.5 | 166.6 | -80 | -176.9 | 175.6 | -179.1 | 0 | 109.7 | ||||
| 207 | E | 36.2 | Very low | 52.8 | Low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | 75.7 | 86.8 | 159.7 | -67 | 171.1 | 173.5 | 0 | 0 | 117.7 | ||||
| 208 | T | 41.4 | Very low | 53.9 | Low | 137 Ų | 137 | 134 Ų | 134 | 84% | 0.84 | 66% | 0.66 | S | S | * | * | trans | -153 | 131.3 | 137.5 | 37.2 | 0 | 0 | 0 | 0 | 111.2 | V210 | T208-V210 PolarHBondContact O-N 3.46Š| ||
| 209 | E | 40.6 | Very low | 55.3 | Low | 159 Ų | 159 | 129.5 Ų | 129.5 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | trans | -57.4 | 118.6 | 177 | -63.4 | 171.2 | 125.8 | 0 | 0 | 112.5 | R213 | E209-R213 PolarHBondContact O-NH1 3.47Å; E209-R213 VanDerWaalsContact O-NH1 3.09Å | ||
| 210 | V | 49.4 | Very low | 56.6 | Low | 128 Ų | 128 | 128.4 Ų | 128.4 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | trans | -101.7 | 77.2 | 166.3 | -172 | 0 | 0 | 0 | 0 | 108.5 | T208 | T208-V210 PolarHBondContact O-N 3.46Š| ||
| 211 | K | 48.6 | Very low | 57.9 | Low | 159 Ų | 159 | 133.9 Ų | 133.9 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | trans | -49.7 | 143.9 | 148.7 | -91.6 | 170 | 173.7 | 163 | 0 | 107.8 | R213 | K211-R213 VanDerWaalsContact C-N 3.27Å; K211-R213 PolarHBondContact O-N 3.04Å | ||
| 212 | E | 49.4 | Very low | 59.6 | Low | 199 Ų | 199 | 130.5 Ų | 130.5 | 93% | 0.93 | 64% | 0.64 | S | S | * | * | trans | -41.7 | 92 | 165 | -74.4 | 177.5 | 141.3 | 0 | 0 | 109.7 | S214 | E212-S214 PolarHBondContact O-N 3.47Š| ||
| 213 | R | 58.6 | Low | 61.5 | Low | 156 Ų | 156 | 131.1 Ų | 131.1 | 59% | 0.589 | 64% | 0.644 | S | S | * | * | trans | -70.9 | 121.6 | 169.3 | -110.9 | 81.3 | -175.6 | -168.1 | 2.8 | 104.2 | E209 K211 D217 | E209-R213 PolarHBondContact O-NH1 3.47Å; E209-R213 VanDerWaalsContact O-NH1 3.09Å; K211-R213 VanDerWaalsContact C-N 3.27Å; K211-R213 PolarHBondContact O-N 3.04Å; R213-D217 HydrophobicContact CB-CB 4.1Å; R213-D217 HydrophobicContact CG-CB 3.67Å | ||
| 214 | S | 64.9 | Low | 63.6 | Low | 50 Ų | 50 | 130.2 Ų | 130.2 | 35% | 0.35 | 64% | 0.635 | S | S | . | * | trans | -59.5 | 153.4 | 175.5 | 78.1 | 0 | 0 | 0 | 0 | 108.2 | E212 F216 D217 | E212-S214 PolarHBondContact O-N 3.47Å; S214-F216 PolarHBondContact O-N 3.49Å; S214-F216 PolarHBondContact OG-N 2.83Å; S214-D217 VanDerWaalsContact CB-OD2 3.31Å; S214-D217 WeakPolarHBondContact CB-OD2 3.27Å; S214-D217 PolarHBondContact N-OD2 3.35Å; S214-D217 WeakPolarHBondContact O-CB 3.12Å; S214-D217 PolarHBondContact O-N 3.35Å; S214-D217 VanDerWaalsContact OG-CG 3.23Å; S214-D217 PolarHBondContact OG-OD2 2.96Å | ||
| 215 | V | 68.6 | Low | 65.7 | Low | 70 Ų | 70 | 124.9 Ų | 124.9 | 42% | 0.424 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -50.4 | -24.2 | 175.2 | 165.7 | 0 | 0 | 0 | 0 | 112.3 | H228 | V215-H228 VanDerWaalsContact CG1-NE2 3.26Å; V215-H228 WeakPolarHBondContact CG1-NE2 3.37Å |
| 216 | F | 73.8 | Confident | 67.7 | Low | 190 Ų | 190 | 122.8 Ų | 122.8 | 83% | 0.833 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -80.3 | -14.2 | 178.4 | -57 | -74.8 | 0 | 0 | 0 | 114.4 | S214 | S214-F216 PolarHBondContact O-N 3.49Å; S214-F216 PolarHBondContact OG-N 2.83Å |
| 217 | D | 82.8 | Confident | 70.2 | Confident | 93 Ų | 93 | 117.7 Ų | 117.7 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -92.4 | 1 | -177 | -61.4 | -48.3 | 0 | 0 | 0 | 113.5 | R213 S214 P219 | R213-D217 HydrophobicContact CB-CB 4.1Å; R213-D217 HydrophobicContact CG-CB 3.67Å; S214-D217 VanDerWaalsContact CB-OD2 3.31Å; S214-D217 WeakPolarHBondContact CB-OD2 3.27Å; S214-D217 PolarHBondContact N-OD2 3.35Å; S214-D217 WeakPolarHBondContact O-CB 3.12Å; S214-D217 PolarHBondContact O-N 3.35Å; S214-D217 VanDerWaalsContact OG-CG 3.23Å; S214-D217 PolarHBondContact OG-OD2 2.96Å; D217-P219 WeakPolarHBondContact O-CD 3.44Å |
| 218 | I | 79.6 | Confident | 72.6 | Confident | 20 Ų | 20 | 111.6 Ų | 111.6 | 10% | 0.103 | 56% | 0.556 | C | S | . | * | S | Bend | trans | -81.3 | 115.6 | -179.9 | -47.1 | 174.8 | 0 | 0 | 0 | 109.1 | I220 E224 F225 H228 | I218-I220 PolarHBondContact O-N 3.29Å; I218-E224 HydrophobicContact CG2-CB 3.93Å; I218-E224 HydrophobicContact CG2-CG 3.79Å; I218-F225 HydrophobicContact CG2-CB 3.74Å; I218-F225 VanDerWaalsContact CG2-N 3.34Å; I218-H228 HydrophobicContact CD1-CB 3.81Å |
| 219 | P | 85.8 | Confident | 74.9 | Confident | 78 Ų | 78 | 108 Ų | 108 | 51% | 0.506 | 54% | 0.536 | S | S | . | . | trans | -66.4 | 134.3 | -175.1 | -16 | 28.3 | 0 | 0 | 0 | 112.3 | D217 F221 T222 F225 | D217-P219 WeakPolarHBondContact O-CD 3.44Å; P219-F221 PolarHBondContact O-N 3.5Å; P219-T222 HydrophobicContact CB-CG2 3.88Å; P219-T222 HydrophobicContact CG-CG2 4Å; P219-T222 PolarHBondContact O-N 3.38Å; P219-T222 PolarHBondContact O-OG1 2.87Å; P219-F225 VanDerWaalsContact O-CB 3.26Å; P219-F225 WeakPolarHBondContact O-CB 3.35Å | ||
| 220 | I | 80.7 | Confident | 77.3 | Confident | 110 Ų | 110 | 107.6 Ų | 107.6 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 1.4 | -166.4 | 54.8 | 169.8 | 0 | 0 | 0 | 117.7 | I218 F225 | I218-I220 PolarHBondContact O-N 3.29Å; I220-F225 HydrophobicContact CG2-CD2 4.44Å; I220-F225 HydrophobicContact CG2-CE2 4.06Å; I220-F225 HydrophobicContact CG2-CZ 4.23Å; I220-F225 WeakPolarHBondContact O-CD1 3.5Å |
| 221 | F | 82.9 | Confident | 79.3 | Confident | 189 Ų | 189 | 104.2 Ų | 104.2 | 83% | 0.829 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.7 | 16.7 | 177.3 | -60 | -65.8 | 0 | 0 | 0 | 113.4 | P219 | P219-F221 PolarHBondContact O-N 3.5Š|
| 222 | T | 87.8 | Confident | 81.3 | Confident | 47 Ų | 47 | 102.7 Ų | 102.7 | 29% | 0.288 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -86.6 | 153 | 173.9 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | P219 E224 F225 L226 | P219-T222 HydrophobicContact CB-CG2 3.88Å; P219-T222 HydrophobicContact CG-CG2 4Å; P219-T222 PolarHBondContact O-N 3.38Å; P219-T222 PolarHBondContact O-OG1 2.87Å; T222-E224 PolarHBondContact O-N 2.92Å; T222-F225 PolarHBondContact O-N 3.17Å; T222-F225 VanDerWaalsContact O-N 3.08Å; T222-F225 PolarHBondContact OG1-N 3.34Å; T222-F225 VanDerWaalsContact OG1-N 3.08Å; T222-L226 PolarHBondContact O-N 3.08Å; T222-L226 VanDerWaalsContact O-N 3.12Å |
| 223 | E | 88.5 | Confident | 83.4 | Confident | 128 Ų | 128 | 96.3 Ų | 96.3 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -55.8 | -30.4 | 167.9 | -177 | 59.2 | -148.7 | 0 | 0 | 111 | N227 | E223-N227 WeakPolarHBondContact O-CB 3.45Å; E223-N227 PolarHBondContact O-N 3.27Å; E223-N227 PolarHBondContact O-ND2 3.36Å; E223-N227 PolarHBondContact OE1-ND2 3.49Å |
| 224 | E | 87.4 | Confident | 85.1 | Confident | 120 Ų | 120 | 91.3 Ų | 91.3 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 173.6 | -169.4 | 179.6 | -171.9 | 0 | 0 | 112.2 | I218 T222 N227 H228 | I218-E224 HydrophobicContact CG2-CB 3.93Å; I218-E224 HydrophobicContact CG2-CG 3.79Å; T222-E224 PolarHBondContact O-N 2.92Å; E224-N227 PolarHBondContact O-N 3.06Å; E224-H228 WeakPolarHBondContact O-CB 3.23Å; E224-H228 PolarHBondContact O-N 3.27Å |
| 225 | F | 89.6 | Confident | 86.5 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 32% | 0.316 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.4 | 177.9 | -98 | 0 | 0 | 0 | 111.9 | I218 P219 I220 T222 N227 H228 S229 | I218-F225 HydrophobicContact CG2-CB 3.74Å; I218-F225 VanDerWaalsContact CG2-N 3.34Å; P219-F225 VanDerWaalsContact O-CB 3.26Å; P219-F225 WeakPolarHBondContact O-CB 3.35Å; I220-F225 HydrophobicContact CG2-CD2 4.44Å; I220-F225 HydrophobicContact CG2-CE2 4.06Å; I220-F225 HydrophobicContact CG2-CZ 4.23Å; I220-F225 WeakPolarHBondContact O-CD1 3.5Å; T222-F225 PolarHBondContact O-N 3.17Å; T222-F225 VanDerWaalsContact O-N 3.08Å; T222-F225 PolarHBondContact OG1-N 3.34Å; T222-F225 VanDerWaalsContact OG1-N 3.08Å; F225-N227 VanDerWaalsContact C-N 3.34Å; F225-N227 PolarHBondContact O-N 3.44Å; F225-H228 PolarHBondContact O-N 3.08Å; F225-S229 VanDerWaalsContact O-CB 3.28Å; F225-S229 WeakPolarHBondContact O-CB 3.37Å; F225-S229 PolarHBondContact O-N 2.94Å |
| 226 | L | 88.5 | Confident | 87.9 | Confident | 105 Ų | 105 | 93.4 Ų | 93.4 | 55% | 0.55 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.7 | -79.7 | 158.5 | 0 | 0 | 0 | 111.6 | T222 K230 | T222-L226 PolarHBondContact O-N 3.08Å; T222-L226 VanDerWaalsContact O-N 3.12Å; L226-K230 VanDerWaalsContact O-CB 3.23Å; L226-K230 WeakPolarHBondContact O-CB 3.36Å; L226-K230 PolarHBondContact O-N 3.35Å |
| 227 | N | 88.2 | Confident | 89 | Confident | 83 Ų | 83 | 91.1 Ų | 91.1 | 44% | 0.444 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 177.7 | -76.5 | -49 | 0 | 0 | 0 | 112.5 | E223 E224 F225 K230 A231 | E223-N227 WeakPolarHBondContact O-CB 3.45Å; E223-N227 PolarHBondContact O-N 3.27Å; E223-N227 PolarHBondContact O-ND2 3.36Å; E223-N227 PolarHBondContact OE1-ND2 3.49Å; E224-N227 PolarHBondContact O-N 3.06Å; F225-N227 VanDerWaalsContact C-N 3.34Å; F225-N227 PolarHBondContact O-N 3.44Å; N227-K230 PolarHBondContact O-N 3.44Å; N227-A231 WeakPolarHBondContact O-CB 3.43Å; N227-A231 PolarHBondContact O-N 3.28Å |
| 228 | H | 87.6 | Confident | 89.6 | Confident | 51 Ų | 51 | 93.8 Ų | 93.8 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.4 | -49 | 175.3 | -176.4 | 81.2 | 0 | 0 | 0 | 111.6 | V215 I218 E224 F225 K230 A231 R232 | V215-H228 VanDerWaalsContact CG1-NE2 3.26Å; V215-H228 WeakPolarHBondContact CG1-NE2 3.37Å; I218-H228 HydrophobicContact CD1-CB 3.81Å; E224-H228 WeakPolarHBondContact O-CB 3.23Å; E224-H228 PolarHBondContact O-N 3.27Å; F225-H228 PolarHBondContact O-N 3.08Å; H228-K230 VanDerWaalsContact C-N 3.33Å; H228-K230 PolarHBondContact O-N 2.88Å; H228-A231 PolarHBondContact O-N 3.43Å; H228-R232 WeakPolarHBondContact NE2-CG 3.48Å; H228-R232 PolarHBondContact O-N 3.46Å |
| 229 | S | 89.1 | Confident | 90.5 | Very high | 61 Ų | 61 | 97.7 Ų | 97.7 | 43% | 0.427 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | F225 A231 R232 E233 | F225-S229 VanDerWaalsContact O-CB 3.28Å; F225-S229 WeakPolarHBondContact O-CB 3.37Å; F225-S229 PolarHBondContact O-N 2.94Å; S229-A231 PolarHBondContact O-N 2.86Å; S229-R232 PolarHBondContact O-N 2.96Å; S229-E233 VanDerWaalsContact O-CB 3.28Å; S229-E233 WeakPolarHBondContact O-CB 3.47Å; S229-E233 PolarHBondContact O-N 3.38Å |
| 230 | K | 92 | Very high | 91 | Very high | 150 Ų | 150 | 100.9 Ų | 100.9 | 65% | 0.652 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.7 | -39.2 | 176.1 | -172.7 | 176 | -176.3 | 175.7 | 0 | 112.7 | L226 N227 H228 A234 | L226-K230 VanDerWaalsContact O-CB 3.23Å; L226-K230 WeakPolarHBondContact O-CB 3.36Å; L226-K230 PolarHBondContact O-N 3.35Å; N227-K230 PolarHBondContact O-N 3.44Å; H228-K230 VanDerWaalsContact C-N 3.33Å; H228-K230 PolarHBondContact O-N 2.88Å; K230-A234 WeakPolarHBondContact O-CB 3.39Å; K230-A234 PolarHBondContact O-N 3.32Å |
| 231 | A | 91.1 | Very high | 91.8 | Very high | 58 Ų | 58 | 101.6 Ų | 101.6 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N227 H228 S229 A234 E235 | N227-A231 WeakPolarHBondContact O-CB 3.43Å; N227-A231 PolarHBondContact O-N 3.28Å; H228-A231 PolarHBondContact O-N 3.43Å; S229-A231 PolarHBondContact O-N 2.86Å; A231-A234 PolarHBondContact O-N 2.86Å; A231-E235 WeakPolarHBondContact O-CB 3.38Å; A231-E235 PolarHBondContact O-N 2.98Å |
| 232 | R | 89.7 | Confident | 92.4 | Very high | 126 Ų | 126 | 94.7 Ų | 94.7 | 48% | 0.475 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.2 | -78.4 | -60.4 | -157.4 | 170.9 | 6.9 | 112.6 | H228 S229 A234 E235 L236 | H228-R232 WeakPolarHBondContact NE2-CG 3.48Å; H228-R232 PolarHBondContact O-N 3.46Å; S229-R232 PolarHBondContact O-N 2.96Å; R232-A234 VanDerWaalsContact C-N 3.31Å; R232-A234 PolarHBondContact O-N 3.44Å; R232-E235 WeakPolarHBondContact CD-OE2 3.44Å; R232-E235 IonicContact CZ-OE2 3.86Å; R232-E235 IonicContact NH1-OE2 2.93Å; R232-E235 PolarHBondContact NH1-OE2 3.17Å; R232-E235 WeakPolarHBondContact O-CB 3.44Å; R232-E235 PolarHBondContact O-N 3.12Å; R232-L236 WeakPolarHBondContact O-CB 3.37Å; R232-L236 PolarHBondContact O-N 3.37Å |
| 233 | E | 93.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 96.6 Ų | 96.6 | 31% | 0.308 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.1 | -34.1 | 177.9 | 178.9 | 61.1 | -159 | 0 | 0 | 111.4 | S229 R237 | S229-E233 VanDerWaalsContact O-CB 3.28Å; S229-E233 WeakPolarHBondContact O-CB 3.47Å; S229-E233 PolarHBondContact O-N 3.38Å; E233-R237 WeakPolarHBondContact O-CG 3.16Å; E233-R237 PolarHBondContact O-N 3.33Å; E233-R237 VanDerWaalsContact O-N 3.1Å; E233-R237 IonicContact OE1-CZ 2.67Å; E233-R237 IonicContact OE1-NE 3.98Å; E233-R237 PolarHBondContact OE1-NE 3.37Å; E233-R237 IonicContact OE1-NH2 3.4Å; E233-R237 PolarHBondContact OE1-NH2 2.88Å |
| 234 | A | 95 | Very high | 93.3 | Very high | 51 Ų | 51 | 96 Ų | 96 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K230 A231 R232 R237 Q238 | K230-A234 WeakPolarHBondContact O-CB 3.39Å; K230-A234 PolarHBondContact O-N 3.32Å; A231-A234 PolarHBondContact O-N 2.86Å; R232-A234 VanDerWaalsContact C-N 3.31Å; R232-A234 PolarHBondContact O-N 3.44Å; A234-R237 PolarHBondContact O-N 3.49Å; A234-Q238 PolarHBondContact O-N 3.13Å |
| 235 | E | 95.1 | Very high | 93.7 | Very high | 93 Ų | 93 | 93.2 Ų | 93.2 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 173.6 | -178.2 | -177.1 | -157.5 | 0 | 0 | 110.8 | A231 R232 R237 Q238 L239 | A231-E235 WeakPolarHBondContact O-CB 3.38Å; A231-E235 PolarHBondContact O-N 2.98Å; R232-E235 WeakPolarHBondContact CD-OE2 3.44Å; R232-E235 IonicContact CZ-OE2 3.86Å; R232-E235 IonicContact NH1-OE2 2.93Å; R232-E235 PolarHBondContact NH1-OE2 3.17Å; R232-E235 WeakPolarHBondContact O-CB 3.44Å; R232-E235 PolarHBondContact O-N 3.12Å; E235-R237 VanDerWaalsContact C-N 3.35Å; E235-R237 PolarHBondContact O-N 3.02Å; E235-Q238 WeakPolarHBondContact O-CB 3.08Å; E235-Q238 PolarHBondContact O-N 3.33Å; E235-Q238 VanDerWaalsContact O-N 3.11Å; E235-L239 HydrophobicContact CG-CD1 4.28Å; E235-L239 WeakPolarHBondContact O-CG 3.25Å; E235-L239 PolarHBondContact O-N 3.45Å |
| 236 | L | 97.1 | Very high | 94 | Very high | 70 Ų | 70 | 95 Ų | 95 | 37% | 0.366 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 178.9 | -172.8 | 61.4 | 0 | 0 | 0 | 112.4 | R232 L239 R240 | R232-L236 WeakPolarHBondContact O-CB 3.37Å; R232-L236 PolarHBondContact O-N 3.37Å; L236-L239 PolarHBondContact O-N 3.33Å; L236-R240 VanDerWaalsContact O-CG 3.3Å; L236-R240 WeakPolarHBondContact O-CG 3.34Å; L236-R240 PolarHBondContact O-N 3.21Å |
| 237 | R | 96.6 | Very high | 94.5 | Very high | 143 Ų | 143 | 95.4 Ų | 95.4 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 173.1 | -73.4 | 179.9 | -165.9 | 120.4 | 5.2 | 112.1 | E233 A234 E235 R240 K241 | E233-R237 WeakPolarHBondContact O-CG 3.16Å; E233-R237 PolarHBondContact O-N 3.33Å; E233-R237 VanDerWaalsContact O-N 3.1Å; E233-R237 IonicContact OE1-CZ 2.67Å; E233-R237 IonicContact OE1-NE 3.98Å; E233-R237 PolarHBondContact OE1-NE 3.37Å; E233-R237 IonicContact OE1-NH2 3.4Å; E233-R237 PolarHBondContact OE1-NH2 2.88Å; A234-R237 PolarHBondContact O-N 3.49Å; E235-R237 VanDerWaalsContact C-N 3.35Å; E235-R237 PolarHBondContact O-N 3.02Å; R237-R240 PolarHBondContact O-N 3.08Å; R237-K241 PolarHBondContact O-N 3.24Å |
| 238 | Q | 96.4 | Very high | 94.9 | Very high | 148 Ų | 148 | 96.4 Ų | 96.4 | 69% | 0.692 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 176.9 | -175.9 | 177.2 | -25.2 | 0 | 0 | 111.4 | A234 E235 K241 S242 | A234-Q238 PolarHBondContact O-N 3.13Å; E235-Q238 WeakPolarHBondContact O-CB 3.08Å; E235-Q238 PolarHBondContact O-N 3.33Å; E235-Q238 VanDerWaalsContact O-N 3.11Å; Q238-K241 PolarHBondContact O-N 2.89Å; Q238-S242 WeakPolarHBondContact O-CB 3.47Å; Q238-S242 PolarHBondContact O-N 3.43Å |
| 239 | L | 97 | Very high | 95.3 | Very high | 103 Ų | 103 | 100.2 Ų | 100.2 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 175.5 | -72.9 | 173.3 | 0 | 0 | 0 | 111.8 | E235 L236 K241 S242 N243 | E235-L239 HydrophobicContact CG-CD1 4.28Å; E235-L239 WeakPolarHBondContact O-CG 3.25Å; E235-L239 PolarHBondContact O-N 3.45Å; L236-L239 PolarHBondContact O-N 3.33Å; L239-K241 VanDerWaalsContact C-N 3.34Å; L239-K241 PolarHBondContact O-N 3.41Å; L239-S242 PolarHBondContact O-N 3.35Å; L239-N243 WeakPolarHBondContact O-CB 3.27Å; L239-N243 PolarHBondContact O-N 3.04Å |
| 240 | R | 97.7 | Very high | 95.7 | Very high | 144 Ų | 144 | 102.1 Ų | 102.1 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 174.6 | -75 | 171.5 | 179.6 | 148.4 | -1 | 111.9 | L236 R237 N243 M244 | L236-R240 VanDerWaalsContact O-CG 3.3Å; L236-R240 WeakPolarHBondContact O-CG 3.34Å; L236-R240 PolarHBondContact O-N 3.21Å; R237-R240 PolarHBondContact O-N 3.08Å; R240-N243 PolarHBondContact O-N 3Å; R240-M244 PolarHBondContact O-N 3.36Å |
| 241 | K | 97 | Very high | 96 | Very high | 126 Ų | 126 | 98 Ų | 98 | 55% | 0.548 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 176.2 | -173.8 | -177.2 | 176.7 | -170.4 | 0 | 111.3 | R237 Q238 L239 N243 M244 E245 | R237-K241 PolarHBondContact O-N 3.24Å; Q238-K241 PolarHBondContact O-N 2.89Å; L239-K241 VanDerWaalsContact C-N 3.34Å; L239-K241 PolarHBondContact O-N 3.41Å; K241-N243 VanDerWaalsContact C-N 3.3Å; K241-N243 PolarHBondContact O-N 3.21Å; K241-M244 PolarHBondContact O-N 3.08Å; K241-E245 VanDerWaalsContact CE-OE1 3.27Å; K241-E245 WeakPolarHBondContact CE-OE1 3.42Å; K241-E245 IonicContact NZ-OE1 2.88Å; K241-E245 WeakPolarHBondContact O-CG 3.35Å; K241-E245 PolarHBondContact O-N 3.46Å |
| 242 | S | 95.8 | Very high | 96.3 | Very high | 43 Ų | 43 | 98.3 Ų | 98.3 | 30% | 0.301 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 178.8 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | Q238 L239 E245 F246 | Q238-S242 WeakPolarHBondContact O-CB 3.47Å; Q238-S242 PolarHBondContact O-N 3.43Å; L239-S242 PolarHBondContact O-N 3.35Å; S242-E245 PolarHBondContact O-N 3.47Å; S242-F246 WeakPolarHBondContact O-CD2 3.32Å; S242-F246 WeakPolarHBondContact O-CG 3.31Å; S242-F246 PolarHBondContact O-N 2.9Å; S242-F246 VanDerWaalsContact OG-CE2 3.23Å; S242-F246 WeakPolarHBondContact OG-CE2 3.4Å |
| 243 | N | 97.3 | Very high | 96.7 | Very high | 88 Ų | 88 | 97.3 Ų | 97.3 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 178.2 | -166 | 10.7 | 0 | 0 | 0 | 111 | L239 R240 K241 E245 F246 E247 | L239-N243 WeakPolarHBondContact O-CB 3.27Å; L239-N243 PolarHBondContact O-N 3.04Å; R240-N243 PolarHBondContact O-N 3Å; K241-N243 VanDerWaalsContact C-N 3.3Å; K241-N243 PolarHBondContact O-N 3.21Å; N243-E245 VanDerWaalsContact C-N 3.29Å; N243-E245 PolarHBondContact O-N 2.96Å; N243-F246 CarbonylContact O-C 3.6Å; N243-F246 WeakPolarHBondContact O-CA 3.49Å; N243-F246 WeakPolarHBondContact O-CB 3.15Å; N243-F246 PolarHBondContact O-N 3.39Å; N243-E247 WeakPolarHBondContact O-CG 3.45Å; N243-E247 PolarHBondContact O-N 3.46Å |
| 244 | M | 96.7 | Very high | 96.9 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.6 | -43 | 174.1 | -174.9 | 177.7 | 69.3 | 0 | 0 | 112 | R240 K241 F246 E247 E248 | R240-M244 PolarHBondContact O-N 3.36Å; K241-M244 PolarHBondContact O-N 3.08Å; M244-F246 VanDerWaalsContact C-N 3.31Å; M244-F246 PolarHBondContact O-N 3.13Å; M244-E247 PolarHBondContact O-N 2.95Å; M244-E248 WeakPolarHBondContact O-CB 3.34Å; M244-E248 PolarHBondContact O-N 3.24Å |
| 245 | E | 96.5 | Very high | 97 | Very high | 62 Ų | 62 | 101.5 Ų | 101.5 | 29% | 0.29 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -28.1 | 175.6 | -65.8 | 179.6 | -162.4 | 0 | 0 | 113.2 | K241 S242 N243 R249 | K241-E245 VanDerWaalsContact CE-OE1 3.27Å; K241-E245 WeakPolarHBondContact CE-OE1 3.42Å; K241-E245 IonicContact NZ-OE1 2.88Å; K241-E245 WeakPolarHBondContact O-CG 3.35Å; K241-E245 PolarHBondContact O-N 3.46Å; S242-E245 PolarHBondContact O-N 3.47Å; N243-E245 VanDerWaalsContact C-N 3.29Å; N243-E245 PolarHBondContact O-N 2.96Å; E245-R249 VanDerWaalsContact CB-NH1 3.33Å; E245-R249 VanDerWaalsContact O-CG 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.44Å; E245-R249 PolarHBondContact O-N 3.21Å; E245-R249 PolarHBondContact O-NH1 3.28Å; E245-R249 IonicContact OE2-NH1 3.35Å; E245-R249 IonicContact OE2-NH2 3.5Å |
| 246 | F | 97.1 | Very high | 97.2 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.5 | -40.7 | 173.1 | -74.9 | -54.3 | 0 | 0 | 0 | 111.7 | S242 N243 M244 E248 R249 N250 | S242-F246 WeakPolarHBondContact O-CD2 3.32Å; S242-F246 WeakPolarHBondContact O-CG 3.31Å; S242-F246 PolarHBondContact O-N 2.9Å; S242-F246 VanDerWaalsContact OG-CE2 3.23Å; S242-F246 WeakPolarHBondContact OG-CE2 3.4Å; N243-F246 CarbonylContact O-C 3.6Å; N243-F246 WeakPolarHBondContact O-CA 3.49Å; N243-F246 WeakPolarHBondContact O-CB 3.15Å; N243-F246 PolarHBondContact O-N 3.39Å; M244-F246 VanDerWaalsContact C-N 3.31Å; M244-F246 PolarHBondContact O-N 3.13Å; F246-E248 VanDerWaalsContact C-N 3.33Å; F246-E248 PolarHBondContact O-N 3.46Å; F246-R249 PolarHBondContact O-N 2.94Å; F246-N250 WeakPolarHBondContact O-CB 3.14Å; F246-N250 PolarHBondContact O-N 3.44Å; F246-N250 PolarHBondContact O-ND2 2.99Å |
| 247 | E | 97.6 | Very high | 97.2 | Very high | 112 Ų | 112 | 101.7 Ų | 101.7 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 174.6 | -72.7 | 170.9 | -176.5 | 0 | 0 | 111.1 | N243 M244 N250 A251 | N243-E247 WeakPolarHBondContact O-CG 3.45Å; N243-E247 PolarHBondContact O-N 3.46Å; M244-E247 PolarHBondContact O-N 2.95Å; E247-N250 PolarHBondContact O-N 3.16Å; E247-A251 WeakPolarHBondContact O-CB 3.49Å; E247-A251 PolarHBondContact O-N 3.4Å |
| 248 | E | 97.4 | Very high | 97.3 | Very high | 104 Ų | 104 | 99.5 Ų | 99.5 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.8 | -177.2 | 171.5 | -149.8 | 0 | 0 | 112.4 | M244 F246 N250 A251 A252 | M244-E248 WeakPolarHBondContact O-CB 3.34Å; M244-E248 PolarHBondContact O-N 3.24Å; F246-E248 VanDerWaalsContact C-N 3.33Å; F246-E248 PolarHBondContact O-N 3.46Å; E248-N250 VanDerWaalsContact C-N 3.34Å; E248-N250 PolarHBondContact O-N 2.67Å; E248-A251 PolarHBondContact O-N 3.4Å; E248-A252 PolarHBondContact O-N 3.12Å |
| 249 | R | 96.1 | Very high | 97.4 | Very high | 132 Ų | 132 | 95.6 Ų | 95.6 | 50% | 0.498 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 175.5 | -74 | -178.9 | -171.1 | 96.2 | 0.2 | 112.1 | E245 F246 A252 L253 | E245-R249 VanDerWaalsContact CB-NH1 3.33Å; E245-R249 VanDerWaalsContact O-CG 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.44Å; E245-R249 PolarHBondContact O-N 3.21Å; E245-R249 PolarHBondContact O-NH1 3.28Å; E245-R249 IonicContact OE2-NH1 3.35Å; E245-R249 IonicContact OE2-NH2 3.5Å; F246-R249 PolarHBondContact O-N 2.94Å; R249-A252 PolarHBondContact O-N 2.91Å; R249-L253 WeakPolarHBondContact O-CG 3.49Å; R249-L253 PolarHBondContact O-N 3.32Å |
| 250 | N | 97.3 | Very high | 97.4 | Very high | 100 Ų | 100 | 95.7 Ų | 95.7 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 176.8 | -73.5 | -18.5 | 0 | 0 | 0 | 111.4 | F246 E247 E248 L253 Q254 | F246-N250 WeakPolarHBondContact O-CB 3.14Å; F246-N250 PolarHBondContact O-N 3.44Å; F246-N250 PolarHBondContact O-ND2 2.99Å; E247-N250 PolarHBondContact O-N 3.16Å; E248-N250 VanDerWaalsContact C-N 3.34Å; E248-N250 PolarHBondContact O-N 2.67Å; N250-L253 PolarHBondContact O-N 3.14Å; N250-Q254 WeakPolarHBondContact O-CB 3.13Å; N250-Q254 PolarHBondContact O-N 2.9Å |
| 251 | A | 98 | Very high | 97.5 | Very high | 64 Ų | 64 | 96.7 Ų | 96.7 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | E247 E248 Q254 K255 | E247-A251 WeakPolarHBondContact O-CB 3.49Å; E247-A251 PolarHBondContact O-N 3.4Å; E248-A251 PolarHBondContact O-N 3.4Å; A251-Q254 PolarHBondContact O-N 3.48Å; A251-K255 PolarHBondContact O-N 2.88Å |
| 252 | A | 97.3 | Very high | 97.5 | Very high | 64 Ų | 64 | 95 Ų | 95 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E248 R249 K255 H256 | E248-A252 PolarHBondContact O-N 3.12Å; R249-A252 PolarHBondContact O-N 2.91Å; A252-K255 PolarHBondContact O-N 3.06Å; A252-H256 PolarHBondContact O-N 2.9Å; A252-H256 VanDerWaalsContact O-N 3.08Å |
| 253 | L | 97.8 | Very high | 97.7 | Very high | 106 Ų | 106 | 95.4 Ų | 95.4 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 175.4 | -74.2 | 172.1 | 0 | 0 | 0 | 111.8 | R249 N250 K255 H256 V257 | R249-L253 WeakPolarHBondContact O-CG 3.49Å; R249-L253 PolarHBondContact O-N 3.32Å; N250-L253 PolarHBondContact O-N 3.14Å; L253-K255 PolarHBondContact O-N 3.43Å; L253-H256 WeakPolarHBondContact O-CB 3.48Å; L253-H256 PolarHBondContact O-N 3.02Å; L253-H256 VanDerWaalsContact O-N 3.13Å; L253-V257 WeakPolarHBondContact O-CG2 3.29Å; L253-V257 PolarHBondContact O-N 3.49Å |
| 254 | Q | 97.7 | Very high | 97.7 | Very high | 95 Ų | 95 | 94.8 Ų | 94.8 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 178.2 | -176 | 60 | 27.7 | 0 | 0 | 111.4 | N250 A251 H256 V257 E258 | N250-Q254 WeakPolarHBondContact O-CB 3.13Å; N250-Q254 PolarHBondContact O-N 2.9Å; A251-Q254 PolarHBondContact O-N 3.48Å; Q254-H256 VanDerWaalsContact C-N 3.32Å; Q254-H256 PolarHBondContact O-N 3.31Å; Q254-V257 PolarHBondContact O-N 3.08Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.4Å; Q254-E258 PolarHBondContact NE2-OE1 2.99Å; Q254-E258 WeakPolarHBondContact O-CG 3.46Å; Q254-E258 PolarHBondContact O-N 3.25Å |
| 255 | K | 98.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 95.3 Ų | 95.3 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 174.1 | -176.5 | -179.6 | 173.4 | -173.4 | 0 | 112.4 | N47 A251 A252 L253 E258 S259 | N47-K255 WeakPolarHBondContact OD1-CE 3.42Å; N47-K255 PolarHBondContact OD1-NZ 3.35Å; A251-K255 PolarHBondContact O-N 2.88Å; A252-K255 PolarHBondContact O-N 3.06Å; L253-K255 PolarHBondContact O-N 3.43Å; K255-E258 PolarHBondContact O-N 2.94Å; K255-S259 PolarHBondContact O-N 3.01Å |
| 256 | H | 98.2 | Very high | 97.9 | Very high | 111 Ų | 111 | 98.9 Ų | 98.9 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 177.2 | -177.3 | 58.1 | 0 | 0 | 0 | 112 | A252 L253 Q254 E258 S259 M260 | A252-H256 PolarHBondContact O-N 2.9Å; A252-H256 VanDerWaalsContact O-N 3.08Å; L253-H256 WeakPolarHBondContact O-CB 3.48Å; L253-H256 PolarHBondContact O-N 3.02Å; L253-H256 VanDerWaalsContact O-N 3.13Å; Q254-H256 VanDerWaalsContact C-N 3.32Å; Q254-H256 PolarHBondContact O-N 3.31Å; H256-E258 VanDerWaalsContact C-N 3.32Å; H256-E258 PolarHBondContact O-N 2.6Å; H256-S259 PolarHBondContact O-N 3.35Å; H256-M260 PolarHBondContact NE2-SD 3.43Å; H256-M260 VanDerWaalsContact NE2-SD 3.41Å; H256-M260 WeakPolarHBondContact O-CG 3.37Å; H256-M260 PolarHBondContact O-N 3.38Å |
| 257 | V | 97.9 | Very high | 97.9 | Very high | 57 Ų | 57 | 98.9 Ų | 98.9 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L253 Q254 M260 R261 | L253-V257 WeakPolarHBondContact O-CG2 3.29Å; L253-V257 PolarHBondContact O-N 3.49Å; Q254-V257 PolarHBondContact O-N 3.08Å; V257-M260 PolarHBondContact O-N 2.89Å; V257-R261 HydrophobicContact CG1-CG 4.49Å; V257-R261 VanDerWaalsContact O-CG 3.32Å; V257-R261 WeakPolarHBondContact O-CG 3.44Å; V257-R261 PolarHBondContact O-N 2.89Å |
| 258 | E | 97.9 | Very high | 98 | Very high | 96 Ų | 96 | 99.1 Ų | 99.1 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 175.5 | -74.3 | 165.6 | -164.6 | 0 | 0 | 111.7 | Q254 K255 H256 M260 R261 T262 | Q254-E258 WeakPolarHBondContact CG-OE1 3.4Å; Q254-E258 PolarHBondContact NE2-OE1 2.99Å; Q254-E258 WeakPolarHBondContact O-CG 3.46Å; Q254-E258 PolarHBondContact O-N 3.25Å; K255-E258 PolarHBondContact O-N 2.94Å; H256-E258 VanDerWaalsContact C-N 3.32Å; H256-E258 PolarHBondContact O-N 2.6Å; E258-M260 VanDerWaalsContact C-N 3.3Å; E258-M260 PolarHBondContact O-N 3Å; E258-R261 PolarHBondContact O-N 3.45Å; E258-T262 PolarHBondContact O-N 3.28Å; E258-T262 PolarHBondContact O-OG1 2.8Å |
| 259 | S | 98.2 | Very high | 98 | Very high | 67 Ų | 67 | 98.1 Ų | 98.1 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 175.6 | -177 | 0 | 0 | 0 | 0 | 112.6 | K255 H256 A263 | K255-S259 PolarHBondContact O-N 3.01Å; H256-S259 PolarHBondContact O-N 3.35Å; S259-A263 PolarHBondContact O-N 3.43Å; S259-A263 VanDerWaalsContact O-N 3.14Å |
| 260 | M | 98.6 | Very high | 98.1 | Very high | 105 Ų | 105 | 95 Ų | 95 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 176.4 | -77.4 | -177.7 | 54.9 | 0 | 0 | 111.8 | H256 V257 E258 T262 A263 V264 | H256-M260 PolarHBondContact NE2-SD 3.43Å; H256-M260 VanDerWaalsContact NE2-SD 3.41Å; H256-M260 WeakPolarHBondContact O-CG 3.37Å; H256-M260 PolarHBondContact O-N 3.38Å; V257-M260 PolarHBondContact O-N 2.89Å; E258-M260 VanDerWaalsContact C-N 3.3Å; E258-M260 PolarHBondContact O-N 3Å; M260-T262 PolarHBondContact O-N 3.48Å; M260-A263 PolarHBondContact O-N 3.42Å; M260-V264 WeakPolarHBondContact O-CG2 3.25Å; M260-V264 PolarHBondContact O-N 3.1Å |
| 261 | R | 98.4 | Very high | 98.2 | Very high | 164 Ų | 164 | 93.5 Ų | 93.5 | 62% | 0.619 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.9 | -46.9 | 177.1 | -76 | 174.5 | 178.2 | 179.8 | 0.5 | 111.3 | V257 E258 A263 V264 E265 | V257-R261 HydrophobicContact CG1-CG 4.49Å; V257-R261 VanDerWaalsContact O-CG 3.32Å; V257-R261 WeakPolarHBondContact O-CG 3.44Å; V257-R261 PolarHBondContact O-N 2.89Å; E258-R261 PolarHBondContact O-N 3.45Å; R261-A263 VanDerWaalsContact C-N 3.31Å; R261-A263 PolarHBondContact O-N 2.97Å; R261-V264 PolarHBondContact O-N 2.76Å; R261-E265 PolarHBondContact O-N 3.3Å |
| 262 | T | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 95.8 Ų | 95.8 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -37.9 | 176.1 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | E258 M260 K266 | E258-T262 PolarHBondContact O-N 3.28Å; E258-T262 PolarHBondContact O-OG1 2.8Å; M260-T262 PolarHBondContact O-N 3.48Å; T262-K266 PolarHBondContact O-N 3.35Å; T262-K266 VanDerWaalsContact O-N 3.08Å |
| 263 | A | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 98.3 Ų | 98.3 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S259 M260 R261 K266 L267 | S259-A263 PolarHBondContact O-N 3.43Å; S259-A263 VanDerWaalsContact O-N 3.14Å; M260-A263 PolarHBondContact O-N 3.42Å; R261-A263 VanDerWaalsContact C-N 3.31Å; R261-A263 PolarHBondContact O-N 2.97Å; A263-K266 PolarHBondContact O-N 2.92Å; A263-L267 WeakPolarHBondContact O-CG 3.27Å; A263-L267 PolarHBondContact O-N 3.34Å; A263-L267 VanDerWaalsContact O-N 3.07Å |
| 264 | V | 98.3 | Very high | 98.2 | Very high | 74 Ų | 74 | 97.6 Ų | 97.6 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | M260 R261 K266 L267 E268 | M260-V264 WeakPolarHBondContact O-CG2 3.25Å; M260-V264 PolarHBondContact O-N 3.1Å; R261-V264 PolarHBondContact O-N 2.76Å; V264-K266 VanDerWaalsContact C-N 3.28Å; V264-K266 PolarHBondContact O-N 3.31Å; V264-L267 PolarHBondContact O-N 2.87Å; V264-L267 VanDerWaalsContact O-N 3.08Å; V264-E268 HydrophobicContact CG1-CG 4.34Å; V264-E268 WeakPolarHBondContact O-CG 3.47Å; V264-E268 PolarHBondContact O-N 3.48Å |
| 265 | E | 98.3 | Very high | 98.2 | Very high | 126 Ų | 126 | 101.3 Ų | 101.3 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.8 | -43.1 | 177.9 | -177.2 | 176 | -162.2 | 0 | 0 | 111.6 | R261 E268 V269 | R261-E265 PolarHBondContact O-N 3.3Å; E265-E268 PolarHBondContact O-N 3.35Å; E265-V269 WeakPolarHBondContact O-CG2 3.4Å; E265-V269 PolarHBondContact O-N 2.84Å; E265-V269 VanDerWaalsContact O-N 3.12Å |
| 266 | K | 98.3 | Very high | 98.2 | Very high | 137 Ų | 137 | 99.2 Ų | 99.2 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 174.8 | -174.4 | -176.9 | 175.6 | -173.3 | 0 | 112.3 | T262 A263 V264 E268 V269 D270 | T262-K266 PolarHBondContact O-N 3.35Å; T262-K266 VanDerWaalsContact O-N 3.08Å; A263-K266 PolarHBondContact O-N 2.92Å; V264-K266 VanDerWaalsContact C-N 3.28Å; V264-K266 PolarHBondContact O-N 3.31Å; K266-E268 VanDerWaalsContact C-N 3.3Å; K266-E268 PolarHBondContact O-N 2.99Å; K266-V269 PolarHBondContact O-N 3.33Å; K266-D270 PolarHBondContact O-N 3.33Å |
| 267 | L | 98.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 99.8 Ų | 99.8 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -36.5 | 178.5 | -74.5 | 171.2 | 0 | 0 | 0 | 112.1 | A263 V264 D270 V271 | A263-L267 WeakPolarHBondContact O-CG 3.27Å; A263-L267 PolarHBondContact O-N 3.34Å; A263-L267 VanDerWaalsContact O-N 3.07Å; V264-L267 PolarHBondContact O-N 2.87Å; V264-L267 VanDerWaalsContact O-N 3.08Å; L267-D270 PolarHBondContact O-N 3.39Å; L267-V271 WeakPolarHBondContact O-CB 3.49Å; L267-V271 VanDerWaalsContact O-CG2 3.23Å; L267-V271 WeakPolarHBondContact O-CG2 3.27Å; L267-V271 PolarHBondContact O-N 2.97Å |
| 268 | E | 98.4 | Very high | 98.2 | Very high | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 175.5 | -72.7 | 177.2 | 166.4 | 0 | 0 | 111.5 | V264 E265 K266 V271 I272 | V264-E268 HydrophobicContact CG1-CG 4.34Å; V264-E268 WeakPolarHBondContact O-CG 3.47Å; V264-E268 PolarHBondContact O-N 3.48Å; E265-E268 PolarHBondContact O-N 3.35Å; K266-E268 VanDerWaalsContact C-N 3.3Å; K266-E268 PolarHBondContact O-N 2.99Å; E268-V271 PolarHBondContact O-N 3.04Å; E268-I272 VanDerWaalsContact O-CG1 3.3Å; E268-I272 WeakPolarHBondContact O-CG1 3.06Å; E268-I272 PolarHBondContact O-N 3.48Å |
| 269 | V | 98.3 | Very high | 98.3 | Very high | 83 Ų | 83 | 99.3 Ų | 99.3 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | E265 K266 V271 I272 Q273 | E265-V269 WeakPolarHBondContact O-CG2 3.4Å; E265-V269 PolarHBondContact O-N 2.84Å; E265-V269 VanDerWaalsContact O-N 3.12Å; K266-V269 PolarHBondContact O-N 3.33Å; V269-V271 VanDerWaalsContact C-N 3.3Å; V269-V271 PolarHBondContact O-N 3.39Å; V269-I272 PolarHBondContact O-N 2.84Å; V269-Q273 PolarHBondContact O-N 3.09Å |
| 270 | D | 98.2 | Very high | 98.2 | Very high | 65 Ų | 65 | 100.4 Ų | 100.4 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 179.1 | -69.6 | -14.4 | 0 | 0 | 0 | 111.1 | K266 L267 Q273 E274 | K266-D270 PolarHBondContact O-N 3.33Å; L267-D270 PolarHBondContact O-N 3.39Å; D270-Q273 PolarHBondContact O-N 3.38Å; D270-E274 PolarHBondContact O-N 3.4Å |
| 271 | V | 98.5 | Very high | 98.2 | Very high | 69 Ų | 69 | 99.5 Ų | 99.5 | 42% | 0.418 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.4 | 167.5 | 0 | 0 | 0 | 0 | 111.8 | L267 E268 V269 Q273 R275 | L267-V271 WeakPolarHBondContact O-CB 3.49Å; L267-V271 VanDerWaalsContact O-CG2 3.23Å; L267-V271 WeakPolarHBondContact O-CG2 3.27Å; L267-V271 PolarHBondContact O-N 2.97Å; E268-V271 PolarHBondContact O-N 3.04Å; V269-V271 VanDerWaalsContact C-N 3.3Å; V269-V271 PolarHBondContact O-N 3.39Å; V271-Q273 VanDerWaalsContact C-N 3.35Å; V271-R275 HydrophobicContact CG1-CG 4.48Å; V271-R275 WeakPolarHBondContact O-CB 3.49Å; V271-R275 VanDerWaalsContact O-CG 3.24Å; V271-R275 WeakPolarHBondContact O-CG 3.23Å; V271-R275 PolarHBondContact O-N 2.98Å |
| 272 | I | 98.2 | Very high | 98.1 | Very high | 113 Ų | 113 | 97.2 Ų | 97.2 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 176.5 | -69.2 | 165.1 | 0 | 0 | 0 | 110.3 | E268 V269 R275 S276 | E268-I272 VanDerWaalsContact O-CG1 3.3Å; E268-I272 WeakPolarHBondContact O-CG1 3.06Å; E268-I272 PolarHBondContact O-N 3.48Å; V269-I272 PolarHBondContact O-N 2.84Å; I272-R275 PolarHBondContact O-N 3.02Å; I272-S276 PolarHBondContact O-N 2.88Å; I272-S276 PolarHBondContact O-OG 3.41Å |
| 273 | Q | 98 | Very high | 98 | Very high | 117 Ų | 117 | 98.6 Ų | 98.6 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -49.6 | 177.5 | -177.2 | 175.2 | -5.2 | 0 | 0 | 111.1 | V269 D270 V271 R275 S276 R277 | V269-Q273 PolarHBondContact O-N 3.09Å; D270-Q273 PolarHBondContact O-N 3.38Å; V271-Q273 VanDerWaalsContact C-N 3.35Å; Q273-R275 VanDerWaalsContact C-N 3.34Å; Q273-R275 PolarHBondContact O-N 3.27Å; Q273-S276 PolarHBondContact O-N 2.98Å; Q273-S276 VanDerWaalsContact O-N 3.17Å; Q273-S276 PolarHBondContact O-OG 3.32Å; Q273-R277 PolarHBondContact O-N 3.01Å |
| 274 | E | 97.9 | Very high | 97.8 | Very high | 91 Ų | 91 | 101.9 Ų | 101.9 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 178.9 | -78.1 | -57.6 | 118.9 | 0 | 0 | 112.8 | D270 R277 N278 | D270-E274 PolarHBondContact O-N 3.4Å; E274-R277 PolarHBondContact O-N 3.38Å; E274-R277 IonicContact OE1-NE 3.73Å; E274-R277 PolarHBondContact OE1-NE 3.4Å; E274-R277 IonicContact OE2-CZ 3.35Å; E274-R277 VanDerWaalsContact OE2-CZ 3.26Å; E274-R277 IonicContact OE2-NE 3.54Å; E274-R277 PolarHBondContact OE2-NE 2.83Å; E274-R277 IonicContact OE2-NH2 2.65Å; E274-R277 PolarHBondContact OE2-NH2 3.49Å; E274-N278 WeakPolarHBondContact O-CB 3.49Å; E274-N278 PolarHBondContact O-N 2.88Å |
| 275 | R | 98.2 | Very high | 97.6 | Very high | 172 Ų | 172 | 102.3 Ų | 102.3 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 172.6 | -76 | 174 | -178.9 | -177.4 | 3.1 | 111.7 | V271 I272 Q273 N278 T279 | V271-R275 HydrophobicContact CG1-CG 4.48Å; V271-R275 WeakPolarHBondContact O-CB 3.49Å; V271-R275 VanDerWaalsContact O-CG 3.24Å; V271-R275 WeakPolarHBondContact O-CG 3.23Å; V271-R275 PolarHBondContact O-N 2.98Å; I272-R275 PolarHBondContact O-N 3.02Å; Q273-R275 VanDerWaalsContact C-N 3.34Å; Q273-R275 PolarHBondContact O-N 3.27Å; R275-N278 PolarHBondContact O-N 3.36Å; R275-T279 PolarHBondContact O-N 2.81Å; R275-T279 PolarHBondContact O-OG1 3.41Å; R275-T279 VanDerWaalsContact O-OG1 3.06Å |
| 276 | S | 98.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 99.5 Ų | 99.5 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 178.3 | 69.5 | 0 | 0 | 0 | 0 | 112.1 | I272 Q273 N278 T279 V280 | I272-S276 PolarHBondContact O-N 2.88Å; I272-S276 PolarHBondContact O-OG 3.41Å; Q273-S276 PolarHBondContact O-N 2.98Å; Q273-S276 VanDerWaalsContact O-N 3.17Å; Q273-S276 PolarHBondContact O-OG 3.32Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3.39Å; S276-T279 PolarHBondContact O-N 3.28Å; S276-V280 WeakPolarHBondContact O-CG2 3.33Å; S276-V280 PolarHBondContact O-N 3.34Å |
| 277 | R | 98.1 | Very high | 97.2 | Very high | 123 Ų | 123 | 96.7 Ų | 96.7 | 46% | 0.464 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 173.1 | -171.5 | -175.2 | 70.6 | 77.3 | 1.4 | 111.6 | Q273 E274 V280 L281 | Q273-R277 PolarHBondContact O-N 3.01Å; E274-R277 PolarHBondContact O-N 3.38Å; E274-R277 IonicContact OE1-NE 3.73Å; E274-R277 PolarHBondContact OE1-NE 3.4Å; E274-R277 IonicContact OE2-CZ 3.35Å; E274-R277 VanDerWaalsContact OE2-CZ 3.26Å; E274-R277 IonicContact OE2-NE 3.54Å; E274-R277 PolarHBondContact OE2-NE 2.83Å; E274-R277 IonicContact OE2-NH2 2.65Å; E274-R277 PolarHBondContact OE2-NH2 3.49Å; R277-V280 PolarHBondContact O-N 3.44Å; R277-L281 WeakPolarHBondContact O-CG 3.41Å; R277-L281 PolarHBondContact O-N 3.04Å |
| 278 | N | 98.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 94.2 Ų | 94.2 | 40% | 0.401 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.1 | -163.6 | -89.5 | 0 | 0 | 0 | 111.6 | E274 R275 S276 V280 L281 Q282 | E274-N278 WeakPolarHBondContact O-CB 3.49Å; E274-N278 PolarHBondContact O-N 2.88Å; R275-N278 PolarHBondContact O-N 3.36Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact O-N 3.39Å; N278-V280 PolarHBondContact O-N 3.19Å; N278-L281 PolarHBondContact O-N 2.66Å; N278-Q282 WeakPolarHBondContact O-CG 3.21Å; N278-Q282 PolarHBondContact O-N 3.44Å; N278-Q282 PolarHBondContact OD1-NE2 3.15Å |
| 279 | T | 98.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 91.7 Ų | 91.7 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 175 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | R275 S276 L281 Q282 Q283 | R275-T279 PolarHBondContact O-N 2.81Å; R275-T279 PolarHBondContact O-OG1 3.41Å; R275-T279 VanDerWaalsContact O-OG1 3.06Å; S276-T279 PolarHBondContact O-N 3.28Å; T279-L281 PolarHBondContact O-N 3.32Å; T279-Q282 PolarHBondContact O-N 2.98Å; T279-Q283 WeakPolarHBondContact O-CG 3.36Å; T279-Q283 PolarHBondContact O-N 3.46Å |
| 280 | V | 97.5 | Very high | 96.4 | Very high | 91 Ų | 91 | 92.6 Ų | 92.6 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | S276 R277 N278 Q283 H284 | S276-V280 WeakPolarHBondContact O-CG2 3.33Å; S276-V280 PolarHBondContact O-N 3.34Å; R277-V280 PolarHBondContact O-N 3.44Å; N278-V280 PolarHBondContact O-N 3.19Å; V280-Q283 PolarHBondContact O-N 2.95Å; V280-H284 PolarHBondContact O-N 3.44Å |
| 281 | L | 97.2 | Very high | 96.1 | Very high | 86 Ų | 86 | 91.8 Ų | 91.8 | 45% | 0.45 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.2 | -72.5 | 174.6 | 0 | 0 | 0 | 112.5 | R277 N278 T279 H284 L285 | R277-L281 WeakPolarHBondContact O-CG 3.41Å; R277-L281 PolarHBondContact O-N 3.04Å; N278-L281 PolarHBondContact O-N 2.66Å; T279-L281 PolarHBondContact O-N 3.32Å; L281-H284 PolarHBondContact O-N 3.11Å; L281-L285 WeakPolarHBondContact O-CB 3.2Å; L281-L285 PolarHBondContact O-N 2.99Å |
| 282 | Q | 96.8 | Very high | 95.7 | Very high | 115 Ų | 115 | 89.4 Ų | 89.4 | 54% | 0.537 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 174.5 | -73.7 | -179.9 | 2 | 0 | 0 | 111.5 | N278 T279 L285 E286 | N278-Q282 WeakPolarHBondContact O-CG 3.21Å; N278-Q282 PolarHBondContact O-N 3.44Å; N278-Q282 PolarHBondContact OD1-NE2 3.15Å; T279-Q282 PolarHBondContact O-N 2.98Å; Q282-L285 PolarHBondContact O-N 3.4Å; Q282-E286 WeakPolarHBondContact O-CB 3.48Å; Q282-E286 PolarHBondContact O-N 3.29Å |
| 283 | Q | 96.7 | Very high | 95.5 | Very high | 120 Ų | 120 | 85 Ų | 85 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | 174.7 | -73.2 | 172.7 | -3.7 | 0 | 0 | 111.9 | T279 V280 E286 T287 | T279-Q283 WeakPolarHBondContact O-CG 3.36Å; T279-Q283 PolarHBondContact O-N 3.46Å; V280-Q283 PolarHBondContact O-N 2.95Å; Q283-E286 PolarHBondContact O-N 2.94Å; Q283-T287 WeakPolarHBondContact O-CB 3.47Å; Q283-T287 PolarHBondContact O-N 3.48Å; Q283-T287 PolarHBondContact O-OG1 2.86Å |
| 284 | H | 94.6 | Very high | 95.1 | Very high | 122 Ų | 122 | 83.2 Ų | 83.2 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.4 | -44.6 | 176.5 | -175.3 | 60.5 | 0 | 0 | 0 | 111.8 | V280 L281 E286 T287 L288 | V280-H284 PolarHBondContact O-N 3.44Å; L281-H284 PolarHBondContact O-N 3.11Å; H284-E286 PolarHBondContact O-N 3.4Å; H284-T287 PolarHBondContact O-N 3.15Å; H284-L288 WeakPolarHBondContact O-CB 3.33Å; H284-L288 PolarHBondContact O-N 3.19Å |
| 285 | L | 94 | Very high | 94.7 | Very high | 83 Ų | 83 | 80.2 Ų | 80.2 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.4 | -174.8 | 164 | 0 | 0 | 0 | 111.2 | L281 Q282 T287 L288 R289 | L281-L285 WeakPolarHBondContact O-CB 3.2Å; L281-L285 PolarHBondContact O-N 2.99Å; Q282-L285 PolarHBondContact O-N 3.4Å; L285-T287 VanDerWaalsContact C-N 3.35Å; L285-T287 PolarHBondContact O-N 3.35Å; L285-L288 PolarHBondContact O-N 3.1Å; L285-R289 HydrophobicContact CD2-CG 3.9Å; L285-R289 WeakPolarHBondContact O-CG 3.4Å; L285-R289 PolarHBondContact O-N 3.3Å |
| 286 | E | 94.1 | Very high | 94.3 | Very high | 67 Ų | 67 | 72 Ų | 72 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 178.8 | -178.4 | 55.4 | -150 | 0 | 0 | 111.6 | Q282 Q283 H284 L288 R289 Q290 | Q282-E286 WeakPolarHBondContact O-CB 3.48Å; Q282-E286 PolarHBondContact O-N 3.29Å; Q283-E286 PolarHBondContact O-N 2.94Å; H284-E286 PolarHBondContact O-N 3.4Å; E286-L288 VanDerWaalsContact C-N 3.33Å; E286-L288 PolarHBondContact O-N 3.05Å; E286-R289 PolarHBondContact O-N 3.47Å; E286-Q290 VanDerWaalsContact O-CG 3.32Å; E286-Q290 WeakPolarHBondContact O-CG 3.17Å; E286-Q290 PolarHBondContact O-N 2.8Å; E286-Q290 PolarHBondContact OE1-NE2 3.4Å |
| 287 | T | 92.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 71.8 Ų | 71.8 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 174.5 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | Q283 H284 L285 Q290 V291 | Q283-T287 WeakPolarHBondContact O-CB 3.47Å; Q283-T287 PolarHBondContact O-N 3.48Å; Q283-T287 PolarHBondContact O-OG1 2.86Å; H284-T287 PolarHBondContact O-N 3.15Å; L285-T287 VanDerWaalsContact C-N 3.35Å; L285-T287 PolarHBondContact O-N 3.35Å; T287-Q290 PolarHBondContact O-N 2.99Å; T287-V291 WeakPolarHBondContact O-CG2 3.38Å; T287-V291 PolarHBondContact O-N 2.7Å |
| 288 | L | 92.3 | Very high | 93.3 | Very high | 58 Ų | 58 | 70.9 Ų | 70.9 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 178.3 | -178.3 | 146.2 | 0 | 0 | 0 | 111.7 | H284 L285 E286 Q290 V291 L292 L345 | H284-L288 WeakPolarHBondContact O-CB 3.33Å; H284-L288 PolarHBondContact O-N 3.19Å; L285-L288 PolarHBondContact O-N 3.1Å; E286-L288 VanDerWaalsContact C-N 3.33Å; E286-L288 PolarHBondContact O-N 3.05Å; L288-Q290 VanDerWaalsContact C-N 3.33Å; L288-Q290 PolarHBondContact O-N 3.44Å; L288-V291 PolarHBondContact O-N 2.88Å; L288-L292 HydrophobicContact CD2-CD1 3.48Å; L288-L292 VanDerWaalsContact CD2-CD1 3.48Å; L288-L292 HydrophobicContact CD2-CG 4.27Å; L288-L292 HydrophobicContact CG-CD1 4.3Å; L288-L292 WeakPolarHBondContact O-CB 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.43Å; L288-L292 PolarHBondContact O-N 3.08Å; L288-L345 HydrophobicContact CD1-CD1 4.49Å |
| 289 | R | 93.8 | Very high | 92.6 | Very high | 64 Ų | 64 | 69.1 Ų | 69.1 | 24% | 0.242 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 175 | -76.5 | -172 | 171.2 | 168.1 | -1 | 112.1 | L285 E286 T293 I313 D314 | L285-R289 HydrophobicContact CD2-CG 3.9Å; L285-R289 WeakPolarHBondContact O-CG 3.4Å; L285-R289 PolarHBondContact O-N 3.3Å; E286-R289 PolarHBondContact O-N 3.47Å; R289-T293 VanDerWaalsContact O-CB 3.26Å; R289-T293 WeakPolarHBondContact O-CB 3.49Å; R289-T293 PolarHBondContact O-N 3.01Å; R289-T293 PolarHBondContact O-OG1 2.87Å; R289-I313 HydrophobicContact CB-CG2 3.98Å; R289-I313 HydrophobicContact CG-CG2 3.62Å; R289-D314 IonicContact CZ-OD2 2.6Å; R289-D314 IonicContact NE-OD1 3.76Å; R289-D314 IonicContact NE-OD2 3.65Å; R289-D314 PolarHBondContact NE-OD2 3.3Å; R289-D314 IonicContact NH2-OD2 2.76Å; R289-D314 PolarHBondContact NH2-OD2 3.04Å |
| 290 | Q | 93 | Very high | 92.1 | Very high | 102 Ų | 102 | 69 Ų | 69 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 176.7 | -71 | 174.9 | 13.8 | 0 | 0 | 112.3 | E286 T287 L288 T293 S294 | E286-Q290 VanDerWaalsContact O-CG 3.32Å; E286-Q290 WeakPolarHBondContact O-CG 3.17Å; E286-Q290 PolarHBondContact O-N 2.8Å; E286-Q290 PolarHBondContact OE1-NE2 3.4Å; T287-Q290 PolarHBondContact O-N 2.99Å; L288-Q290 VanDerWaalsContact C-N 3.33Å; L288-Q290 PolarHBondContact O-N 3.44Å; Q290-T293 PolarHBondContact O-N 2.95Å; Q290-S294 WeakPolarHBondContact O-CB 3.42Å; Q290-S294 PolarHBondContact O-N 3.24Å; Q290-S294 PolarHBondContact O-OG 3.01Å |
| 291 | V | 91.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 176.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | T287 L288 S294 S295 V341 L345 | T287-V291 WeakPolarHBondContact O-CG2 3.38Å; T287-V291 PolarHBondContact O-N 2.7Å; L288-V291 PolarHBondContact O-N 2.88Å; V291-S294 PolarHBondContact O-OG 2.83Å; V291-S295 VanDerWaalsContact O-CB 3.31Å; V291-S295 WeakPolarHBondContact O-CB 3.3Å; V291-S295 PolarHBondContact O-N 3.42Å; V291-S295 PolarHBondContact O-OG 3.29Å; V291-V341 HydrophobicContact CG1-CG1 4.47Å; V291-L345 HydrophobicContact CG1-CD2 4.1Å |
| 292 | L | 91 | Very high | 90.4 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -49.1 | 176.8 | -72.1 | 174.7 | 0 | 0 | 0 | 111.8 | L288 S294 S295 F296 I313 M317 V341 | L288-L292 HydrophobicContact CD2-CD1 3.48Å; L288-L292 VanDerWaalsContact CD2-CD1 3.48Å; L288-L292 HydrophobicContact CD2-CG 4.27Å; L288-L292 HydrophobicContact CG-CD1 4.3Å; L288-L292 WeakPolarHBondContact O-CB 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.43Å; L288-L292 PolarHBondContact O-N 3.08Å; L292-S294 VanDerWaalsContact C-N 3.32Å; L292-S294 PolarHBondContact O-N 2.95Å; L292-S295 PolarHBondContact O-N 3.46Å; L292-F296 HydrophobicContact CD2-CE2 4.07Å; L292-F296 VanDerWaalsContact O-CD2 3.31Å; L292-F296 WeakPolarHBondContact O-CD2 3.44Å; L292-F296 PolarHBondContact O-N 2.88Å; L292-I313 HydrophobicContact CB-CD1 3.82Å; L292-I313 HydrophobicContact CB-CG1 3.76Å; L292-I313 HydrophobicContact CD1-CG1 4.29Å; L292-M317 HydrophobicContact CD1-CG 4.34Å; L292-M317 HydrophobicContact CD2-CE 4.13Å; L292-M317 HydrophobicContact CD2-SD 4.37Å; L292-V341 HydrophobicContact CD2-CG1 3.83Å |
| 293 | T | 92.8 | Very high | 89.6 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 13% | 0.129 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | -179.8 | -58 | 0 | 0 | 0 | 0 | 111.5 | R289 Q290 A297 V310 | R289-T293 VanDerWaalsContact O-CB 3.26Å; R289-T293 WeakPolarHBondContact O-CB 3.49Å; R289-T293 PolarHBondContact O-N 3.01Å; R289-T293 PolarHBondContact O-OG1 2.87Å; Q290-T293 PolarHBondContact O-N 2.95Å; T293-A297 WeakPolarHBondContact O-CB 3.47Å; T293-A297 PolarHBondContact O-N 3.32Å; T293-V310 HydrophobicContact CG2-CG2 4.38Å |
| 294 | S | 91.1 | Very high | 88.8 | Confident | 80 Ų | 80 | 60 Ų | 60 | 56% | 0.559 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.8 | -39.3 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 113 | Q290 V291 L292 F296 A297 | Q290-S294 WeakPolarHBondContact O-CB 3.42Å; Q290-S294 PolarHBondContact O-N 3.24Å; Q290-S294 PolarHBondContact O-OG 3.01Å; V291-S294 PolarHBondContact O-OG 2.83Å; L292-S294 VanDerWaalsContact C-N 3.32Å; L292-S294 PolarHBondContact O-N 2.95Å; S294-F296 VanDerWaalsContact C-N 3.35Å; S294-F296 PolarHBondContact O-N 2.78Å; S294-A297 WeakPolarHBondContact O-CB 3.47Å; S294-A297 PolarHBondContact O-N 3.28Å |
| 295 | S | 89.3 | Confident | 88.2 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | V291 L292 V341 | V291-S295 VanDerWaalsContact O-CB 3.31Å; V291-S295 WeakPolarHBondContact O-CB 3.3Å; V291-S295 PolarHBondContact O-N 3.42Å; V291-S295 PolarHBondContact O-OG 3.29Å; L292-S295 PolarHBondContact O-N 3.46Å; S295-V341 VanDerWaalsContact CB-CG2 3.41Å; S295-V341 WeakPolarHBondContact OG-CG2 3.45Å |
| 296 | F | 90 | Very high | 87.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 5.6 | 179.3 | -69.7 | -76.8 | 0 | 0 | 0 | 113.9 | L292 S294 S298 M299 P308 Y316 M317 L320 T337 V338 | L292-F296 HydrophobicContact CD2-CE2 4.07Å; L292-F296 VanDerWaalsContact O-CD2 3.31Å; L292-F296 WeakPolarHBondContact O-CD2 3.44Å; L292-F296 PolarHBondContact O-N 2.88Å; S294-F296 VanDerWaalsContact C-N 3.35Å; S294-F296 PolarHBondContact O-N 2.78Å; F296-S298 PolarHBondContact O-N 2.86Å; F296-S298 VanDerWaalsContact O-N 3.15Å; F296-M299 HydrophobicContact CD1-CB 4.28Å; F296-M299 HydrophobicContact CD1-SD 3.99Å; F296-M299 HydrophobicContact CE1-SD 4.3Å; F296-M299 PolarHBondContact O-N 3.42Å; F296-P308 HydrophobicContact CB-CG 3.61Å; F296-P308 WeakPolarHBondContact O-CD 3.25Å; F296-P308 WeakPolarHBondContact O-CG 3.33Å; F296-Y316 HydrophobicContact CB-CE1 3.9Å; F296-Y316 HydrophobicContact CD1-CE1 4.11Å; F296-Y316 HydrophobicContact CD2-CE1 4.46Å; F296-Y316 AromaticContact CG-CE1 3.91Å; F296-Y316 HydrophobicContact CG-CE1 3.91Å; F296-M317 HydrophobicContact CD2-SD 4.07Å; F296-M317 HydrophobicContact CE2-CE 4.08Å; F296-M317 HydrophobicContact CE2-SD 3.82Å; F296-M317 HydrophobicContact CZ-CE 4.44Å; F296-M317 HydrophobicContact CZ-SD 4.43Å; F296-L320 HydrophobicContact CD1-CD2 4.27Å; F296-L320 HydrophobicContact CE1-CD2 3.7Å; F296-L320 HydrophobicContact CZ-CD2 3.95Å; F296-T337 HydrophobicContact CD1-CG2 4.35Å; F296-T337 HydrophobicContact CE1-CG2 3.93Å; F296-T337 HydrophobicContact CZ-CG2 4.22Å; F296-V338 HydrophobicContact CE1-CG2 4.23Å; F296-V338 HydrophobicContact CZ-CG2 3.69Å |
| 297 | A | 88.2 | Confident | 87.6 | Confident | 60 Ų | 60 | 56 Ų | 56 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T293 S294 | T293-A297 WeakPolarHBondContact O-CB 3.47Å; T293-A297 PolarHBondContact O-N 3.32Å; S294-A297 WeakPolarHBondContact O-CB 3.47Å; S294-A297 PolarHBondContact O-N 3.28Å |
| 298 | S | 85.6 | Confident | 87.5 | Confident | 103 Ų | 103 | 52.7 Ų | 52.7 | 72% | 0.72 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.4 | 177.6 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | F296 P300 | F296-S298 PolarHBondContact O-N 2.86Å; F296-S298 VanDerWaalsContact O-N 3.15Å; S298-P300 WeakPolarHBondContact O-CD 3.36Å |
| 299 | M | 84.6 | Confident | 87.5 | Confident | 38 Ų | 38 | 53 Ų | 53 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | trans | -119.9 | 87.8 | -173 | -64.4 | -162.3 | 162.3 | 0 | 0 | 111.5 | F296 Y316 F334 T337 | F296-M299 HydrophobicContact CD1-CB 4.28Å; F296-M299 HydrophobicContact CD1-SD 3.99Å; F296-M299 HydrophobicContact CE1-SD 4.3Å; F296-M299 PolarHBondContact O-N 3.42Å; M299-Y316 PolarHBondContact O-OH 2.93Å; M299-F334 HydrophobicContact CB-CD1 4.4Å; M299-F334 HydrophobicContact CB-CE1 3.76Å; M299-F334 HydrophobicContact CB-CZ 4.5Å; M299-F334 HydrophobicContact SD-CD1 3.99Å; M299-F334 HydrophobicContact SD-CE1 4.23Å; M299-T337 HydrophobicContact CE-CG2 4.13Å; M299-T337 WeakPolarHBondContact CE-OG1 3.26Å; M299-T337 HydrophobicContact SD-CG2 3.96Å | ||
| 300 | P | 86.1 | Confident | 87.4 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 140.1 | 174.2 | 28.3 | -33.2 | 0 | 0 | 0 | 110.9 | S298 T307 | S298-P300 WeakPolarHBondContact O-CD 3.36Å; P300-T307 HydrophobicContact CB-CG2 4.36Å |
| 301 | L | 83.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 132.9 | 177.2 | -84.7 | 160.5 | 0 | 0 | 0 | 111.6 | G303 S304 G305 E306 Y316 R319 L320 I323 | L301-G303 PolarHBondContact O-N 2.9Å; L301-S304 WeakPolarHBondContact CB-OG 3.45Å; L301-S304 PolarHBondContact O-N 3.13Å; L301-G305 PolarHBondContact O-N 3.31Å; L301-E306 HydrophobicContact CD1-CB 4.46Å; L301-E306 PolarHBondContact N-O 3.02Å; L301-Y316 HydrophobicContact CB-CE2 4.42Å; L301-Y316 HydrophobicContact CD1-CD2 3.28Å; L301-Y316 HydrophobicContact CD1-CE2 3.58Å; L301-Y316 HydrophobicContact CD1-CG 3.94Å; L301-Y316 HydrophobicContact CD2-CE2 4.29Å; L301-Y316 HydrophobicContact CG-CD2 3.71Å; L301-Y316 HydrophobicContact CG-CE2 3.41Å; L301-Y316 VanDerWaalsContact CG-CE2 3.41Å; L301-Y316 HydrophobicContact CG-CG 4.5Å; L301-R319 HydrophobicContact CD1-CB 4.09Å; L301-R319 HydrophobicContact CD2-CB 4.4Å; L301-L320 HydrophobicContact CD2-CB 3.98Å; L301-L320 HydrophobicContact CD2-CD1 4.15Å; L301-I323 HydrophobicContact CD2-CD1 3.73Å |
| 302 | P | 75.9 | Confident | 87.5 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 40% | 0.396 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 127.2 | 174 | -23.1 | 33.9 | 0 | 0 | 0 | 111.3 | S304 I323 F334 | P302-S304 PolarHBondContact O-N 2.97Å; P302-I323 HydrophobicContact CG-CG2 4.42Å; P302-F334 HydrophobicContact CG-CE2 3.67Å; P302-F334 HydrophobicContact CG-CZ 4.02Å |
| 303 | G | 79.9 | Confident | 87.6 | Confident | 92 Ų | 92 | 52.9 Ų | 52.9 | 95% | 0.948 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | -42 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L301 | L301-G303 PolarHBondContact O-N 2.9Š|
| 304 | S | 80.4 | Confident | 87.6 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 47% | 0.469 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -26.7 | 177.8 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | L301 P302 E306 | L301-S304 WeakPolarHBondContact CB-OG 3.45Å; L301-S304 PolarHBondContact O-N 3.13Å; P302-S304 PolarHBondContact O-N 2.97Å; S304-E306 PolarHBondContact O-N 3.43Å; S304-E306 WeakPolarHBondContact OG-CB 3.46Å; S304-E306 PolarHBondContact OG-N 2.98Å |
| 305 | G | 82.6 | Confident | 87.7 | Confident | 52 Ų | 52 | 54 Ų | 54 | 54% | 0.536 | 36% | 0.364 | S | S | . | . | trans | 67.4 | 8.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L301 | L301-G305 PolarHBondContact O-N 3.31Š| ||
| 306 | E | 86.4 | Confident | 87.9 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 129.8 | -176.4 | -171.6 | 178.2 | 179.5 | 0 | 0 | 110.1 | L301 S304 | L301-E306 HydrophobicContact CD1-CB 4.46Å; L301-E306 PolarHBondContact N-O 3.02Å; S304-E306 PolarHBondContact O-N 3.43Å; S304-E306 WeakPolarHBondContact OG-CB 3.46Å; S304-E306 PolarHBondContact OG-N 2.98Å |
| 307 | T | 88.4 | Confident | 88 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 142.9 | 171.6 | 51 | 0 | 0 | 0 | 0 | 109.8 | P300 | P300-T307 HydrophobicContact CB-CG2 4.36Š|
| 308 | P | 91.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -70 | 139.2 | -177.7 | 24.6 | -26.3 | 0 | 0 | 0 | 111 | F296 I313 Y316 | F296-P308 HydrophobicContact CB-CG 3.61Å; F296-P308 WeakPolarHBondContact O-CD 3.25Å; F296-P308 WeakPolarHBondContact O-CG 3.33Å; P308-I313 HydrophobicContact CB-CD1 3.65Å; P308-Y316 HydrophobicContact CB-CD1 4.01Å; P308-Y316 HydrophobicContact CB-CD2 3.78Å; P308-Y316 HydrophobicContact CB-CE1 4.37Å; P308-Y316 HydrophobicContact CB-CE2 4.12Å; P308-Y316 HydrophobicContact CB-CG 3.74Å; P308-Y316 HydrophobicContact CG-CD1 4.39Å; P308-Y316 HydrophobicContact CG-CD2 4.13Å; P308-Y316 HydrophobicContact CG-CE1 4.25Å; P308-Y316 HydrophobicContact CG-CE2 3.93Å; P308-Y316 HydrophobicContact CG-CG 4.37Å |
| 309 | T | 92 | Very high | 88.5 | Confident | 63 Ų | 63 | 59 Ų | 59 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | trans | -119.6 | 165.7 | 165.3 | 71.5 | 0 | 0 | 0 | 0 | 109.4 | D311 T312 I313 | T309-D311 PolarHBondContact O-N 3.15Å; T309-D311 VanDerWaalsContact O-N 3.14Å; T309-T312 PolarHBondContact N-OG1 2.94Å; T309-T312 PolarHBondContact O-N 3.49Å; T309-T312 WeakPolarHBondContact OG1-CG2 3.48Å; T309-T312 PolarHBondContact OG1-N 3.3Å; T309-T312 PolarHBondContact OG1-OG1 3.02Å; T309-T312 VanDerWaalsContact OG1-OG1 3.07Å; T309-I313 WeakPolarHBondContact O-CB 3.28Å; T309-I313 PolarHBondContact O-N 3.47Å | ||
| 310 | V | 91.2 | Very high | 88.7 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 28% | 0.279 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.4 | 179.5 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | T293 I313 | T293-V310 HydrophobicContact CG2-CG2 4.38Å; V310-I313 WeakPolarHBondContact O-CG2 3.41Å |
| 311 | D | 92.2 | Very high | 88.9 | Confident | 144 Ų | 144 | 59.5 Ų | 59.5 | 77% | 0.77 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -26.6 | 179.1 | -58.9 | -50.2 | 0 | 0 | 0 | 113.4 | T309 | T309-D311 PolarHBondContact O-N 3.15Å; T309-D311 VanDerWaalsContact O-N 3.14Å |
| 312 | T | 94.1 | Very high | 89.2 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -6.3 | -176.5 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | T309 D314 S315 Y316 | T309-T312 PolarHBondContact N-OG1 2.94Å; T309-T312 PolarHBondContact O-N 3.49Å; T309-T312 WeakPolarHBondContact OG1-CG2 3.48Å; T309-T312 PolarHBondContact OG1-N 3.3Å; T309-T312 PolarHBondContact OG1-OG1 3.02Å; T309-T312 VanDerWaalsContact OG1-OG1 3.07Å; T312-D314 VanDerWaalsContact C-N 3.27Å; T312-D314 PolarHBondContact O-N 3.24Å; T312-D314 VanDerWaalsContact O-N 3.17Å; T312-S315 WeakPolarHBondContact O-CB 3.46Å; T312-S315 PolarHBondContact O-N 3.44Å; T312-Y316 PolarHBondContact O-N 3.44Å |
| 313 | I | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.3 | -38.5 | -171.3 | -171.3 | 61.7 | 0 | 0 | 0 | 113 | R289 L292 P308 T309 V310 S315 Y316 M317 | R289-I313 HydrophobicContact CB-CG2 3.98Å; R289-I313 HydrophobicContact CG-CG2 3.62Å; L292-I313 HydrophobicContact CB-CD1 3.82Å; L292-I313 HydrophobicContact CB-CG1 3.76Å; L292-I313 HydrophobicContact CD1-CG1 4.29Å; P308-I313 HydrophobicContact CB-CD1 3.65Å; T309-I313 WeakPolarHBondContact O-CB 3.28Å; T309-I313 PolarHBondContact O-N 3.47Å; V310-I313 WeakPolarHBondContact O-CG2 3.41Å; I313-S315 PolarHBondContact O-N 2.91Å; I313-Y316 HydrophobicContact CD1-CD1 4.17Å; I313-Y316 PolarHBondContact O-N 3.17Å; I313-M317 HydrophobicContact CD1-CG 4.03Å; I313-M317 HydrophobicContact CD1-SD 4.29Å; I313-M317 HydrophobicContact CG1-CG 4.14Å; I313-M317 WeakPolarHBondContact O-CB 3.39Å; I313-M317 VanDerWaalsContact O-CG 3.23Å; I313-M317 WeakPolarHBondContact O-CG 3.48Å; I313-M317 PolarHBondContact O-N 2.89Å |
| 314 | D | 93.4 | Very high | 90.1 | Very high | 74 Ų | 74 | 59 Ų | 59 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 179.1 | -59.3 | -36.3 | 0 | 0 | 0 | 111.8 | R289 T312 N318 | R289-D314 IonicContact CZ-OD2 2.6Å; R289-D314 IonicContact NE-OD1 3.76Å; R289-D314 IonicContact NE-OD2 3.65Å; R289-D314 PolarHBondContact NE-OD2 3.3Å; R289-D314 IonicContact NH2-OD2 2.76Å; R289-D314 PolarHBondContact NH2-OD2 3.04Å; T312-D314 VanDerWaalsContact C-N 3.27Å; T312-D314 PolarHBondContact O-N 3.24Å; T312-D314 VanDerWaalsContact O-N 3.17Å; D314-N318 PolarHBondContact O-N 3.43Å; D314-N318 VanDerWaalsContact O-N 3.14Å; D314-N318 PolarHBondContact O-ND2 3.11Å |
| 315 | S | 93.8 | Very high | 90.5 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 174.4 | 167 | 0 | 0 | 0 | 0 | 110.9 | T312 I313 M317 N318 R319 | T312-S315 WeakPolarHBondContact O-CB 3.46Å; T312-S315 PolarHBondContact O-N 3.44Å; I313-S315 PolarHBondContact O-N 2.91Å; S315-M317 PolarHBondContact O-N 3.37Å; S315-N318 PolarHBondContact O-N 2.96Å; S315-R319 WeakPolarHBondContact O-CG 3.47Å; S315-R319 PolarHBondContact O-N 3.27Å; S315-R319 PolarHBondContact OG-NE 3.43Å |
| 316 | Y | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 176.8 | 176.4 | -82 | 0 | 0 | 0 | 110.9 | F296 M299 L301 P308 T312 I313 N318 R319 L320 | F296-Y316 HydrophobicContact CB-CE1 3.9Å; F296-Y316 HydrophobicContact CD1-CE1 4.11Å; F296-Y316 HydrophobicContact CD2-CE1 4.46Å; F296-Y316 AromaticContact CG-CE1 3.91Å; F296-Y316 HydrophobicContact CG-CE1 3.91Å; M299-Y316 PolarHBondContact O-OH 2.93Å; L301-Y316 HydrophobicContact CB-CE2 4.42Å; L301-Y316 HydrophobicContact CD1-CD2 3.28Å; L301-Y316 HydrophobicContact CD1-CE2 3.58Å; L301-Y316 HydrophobicContact CD1-CG 3.94Å; L301-Y316 HydrophobicContact CD2-CE2 4.29Å; L301-Y316 HydrophobicContact CG-CD2 3.71Å; L301-Y316 HydrophobicContact CG-CE2 3.41Å; L301-Y316 VanDerWaalsContact CG-CE2 3.41Å; L301-Y316 HydrophobicContact CG-CG 4.5Å; P308-Y316 HydrophobicContact CB-CD1 4.01Å; P308-Y316 HydrophobicContact CB-CD2 3.78Å; P308-Y316 HydrophobicContact CB-CE1 4.37Å; P308-Y316 HydrophobicContact CB-CE2 4.12Å; P308-Y316 HydrophobicContact CB-CG 3.74Å; P308-Y316 HydrophobicContact CG-CD1 4.39Å; P308-Y316 HydrophobicContact CG-CD2 4.13Å; P308-Y316 HydrophobicContact CG-CE1 4.25Å; P308-Y316 HydrophobicContact CG-CE2 3.93Å; P308-Y316 HydrophobicContact CG-CG 4.37Å; T312-Y316 PolarHBondContact O-N 3.44Å; I313-Y316 HydrophobicContact CD1-CD1 4.17Å; I313-Y316 PolarHBondContact O-N 3.17Å; Y316-N318 PolarHBondContact O-N 3.29Å; Y316-R319 PolarHBondContact O-N 2.89Å; Y316-L320 HydrophobicContact CE1-CB 4.44Å; Y316-L320 HydrophobicContact CE1-CD2 4.06Å; Y316-L320 VanDerWaalsContact O-CB 3.31Å; Y316-L320 WeakPolarHBondContact O-CB 3.5Å; Y316-L320 PolarHBondContact O-N 3.41Å |
| 317 | M | 91.7 | Very high | 90.6 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 26% | 0.261 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | -179.5 | -69 | -56.4 | -67.5 | 0 | 0 | 112.2 | L292 F296 I313 S315 L320 H321 | L292-M317 HydrophobicContact CD1-CG 4.34Å; L292-M317 HydrophobicContact CD2-CE 4.13Å; L292-M317 HydrophobicContact CD2-SD 4.37Å; F296-M317 HydrophobicContact CD2-SD 4.07Å; F296-M317 HydrophobicContact CE2-CE 4.08Å; F296-M317 HydrophobicContact CE2-SD 3.82Å; F296-M317 HydrophobicContact CZ-CE 4.44Å; F296-M317 HydrophobicContact CZ-SD 4.43Å; I313-M317 HydrophobicContact CD1-CG 4.03Å; I313-M317 HydrophobicContact CD1-SD 4.29Å; I313-M317 HydrophobicContact CG1-CG 4.14Å; I313-M317 WeakPolarHBondContact O-CB 3.39Å; I313-M317 VanDerWaalsContact O-CG 3.23Å; I313-M317 WeakPolarHBondContact O-CG 3.48Å; I313-M317 PolarHBondContact O-N 2.89Å; S315-M317 PolarHBondContact O-N 3.37Å; M317-L320 HydrophobicContact CE-CD2 4.44Å; M317-L320 PolarHBondContact O-N 2.88Å; M317-L320 HydrophobicContact SD-CD2 4.22Å; M317-H321 WeakPolarHBondContact O-CB 3.44Å; M317-H321 PolarHBondContact O-N 3.14Å |
| 318 | N | 92.3 | Very high | 90.3 | Very high | 110 Ų | 110 | 62.8 Ų | 62.8 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 174.5 | -80.6 | -55.4 | 0 | 0 | 0 | 112.5 | D314 S315 Y316 S322 | D314-N318 PolarHBondContact O-N 3.43Å; D314-N318 VanDerWaalsContact O-N 3.14Å; D314-N318 PolarHBondContact O-ND2 3.11Å; S315-N318 PolarHBondContact O-N 2.96Å; Y316-N318 PolarHBondContact O-N 3.29Å; N318-S322 PolarHBondContact O-N 3.15Å; N318-S322 VanDerWaalsContact O-N 3.09Å; N318-S322 PolarHBondContact O-OG 2.88Å |
| 319 | R | 91.3 | Very high | 89.8 | Confident | 132 Ų | 132 | 69.7 Ų | 69.7 | 50% | 0.498 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 175.2 | -70.8 | 172.9 | -172.3 | -103 | 4.4 | 110.9 | L301 S315 Y316 H321 S322 I323 | L301-R319 HydrophobicContact CD1-CB 4.09Å; L301-R319 HydrophobicContact CD2-CB 4.4Å; S315-R319 WeakPolarHBondContact O-CG 3.47Å; S315-R319 PolarHBondContact O-N 3.27Å; S315-R319 PolarHBondContact OG-NE 3.43Å; Y316-R319 PolarHBondContact O-N 2.89Å; R319-H321 PolarHBondContact O-N 3.5Å; R319-S322 WeakPolarHBondContact O-CB 3.35Å; R319-S322 PolarHBondContact O-N 2.94Å; R319-S322 VanDerWaalsContact O-N 3.16Å; R319-I323 WeakPolarHBondContact O-CG1 3.4Å; R319-I323 PolarHBondContact O-N 2.86Å |
| 320 | L | 89 | Confident | 89.2 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 176.3 | -179.2 | 62.3 | 0 | 0 | 0 | 111.1 | F296 L301 Y316 M317 S322 I323 I324 F334 V338 | F296-L320 HydrophobicContact CD1-CD2 4.27Å; F296-L320 HydrophobicContact CE1-CD2 3.7Å; F296-L320 HydrophobicContact CZ-CD2 3.95Å; L301-L320 HydrophobicContact CD2-CB 3.98Å; L301-L320 HydrophobicContact CD2-CD1 4.15Å; Y316-L320 HydrophobicContact CE1-CB 4.44Å; Y316-L320 HydrophobicContact CE1-CD2 4.06Å; Y316-L320 VanDerWaalsContact O-CB 3.31Å; Y316-L320 WeakPolarHBondContact O-CB 3.5Å; Y316-L320 PolarHBondContact O-N 3.41Å; M317-L320 HydrophobicContact CE-CD2 4.44Å; M317-L320 PolarHBondContact O-N 2.88Å; M317-L320 HydrophobicContact SD-CD2 4.22Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.1Å; L320-I323 PolarHBondContact O-N 3.44Å; L320-I324 HydrophobicContact CD1-CD1 3.92Å; L320-I324 HydrophobicContact CD1-CG1 4.17Å; L320-I324 HydrophobicContact CD2-CD1 4.39Å; L320-I324 HydrophobicContact CG-CD1 3.78Å; L320-I324 HydrophobicContact CG-CG1 4.39Å; L320-I324 WeakPolarHBondContact O-CG1 3.28Å; L320-I324 PolarHBondContact O-N 3.34Å; L320-F334 HydrophobicContact CD1-CB 4.02Å; L320-F334 HydrophobicContact CD1-CD1 3.43Å; L320-F334 VanDerWaalsContact CD1-CD1 3.43Å; L320-F334 HydrophobicContact CD1-CD2 4.49Å; L320-F334 HydrophobicContact CD1-CE1 3.93Å; L320-F334 HydrophobicContact CD1-CG 3.75Å; L320-F334 HydrophobicContact CD2-CD1 4.45Å; L320-V338 HydrophobicContact CD2-CG2 4.3Å |
| 321 | H | 89.6 | Confident | 88.7 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 52% | 0.523 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | 176.5 | 179.8 | -107.3 | 0 | 0 | 0 | 111.7 | M317 R319 L325 | M317-H321 WeakPolarHBondContact O-CB 3.44Å; M317-H321 PolarHBondContact O-N 3.14Å; R319-H321 PolarHBondContact O-N 3.5Å; H321-L325 WeakPolarHBondContact CE1-CD1 3.47Å; H321-L325 WeakPolarHBondContact O-CB 3.39Å; H321-L325 WeakPolarHBondContact O-CG 3.41Å; H321-L325 PolarHBondContact O-N 3.45Å |
| 322 | S | 90.7 | Very high | 88.3 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 51% | 0.51 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 177.2 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | N318 R319 L320 A326 | N318-S322 PolarHBondContact O-N 3.15Å; N318-S322 VanDerWaalsContact O-N 3.09Å; N318-S322 PolarHBondContact O-OG 2.88Å; R319-S322 WeakPolarHBondContact O-CB 3.35Å; R319-S322 PolarHBondContact O-N 2.94Å; R319-S322 VanDerWaalsContact O-N 3.16Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.1Å; S322-A326 WeakPolarHBondContact O-CB 3.36Å; S322-A326 PolarHBondContact O-N 3.12Å; S322-A326 VanDerWaalsContact O-N 3.09Å |
| 323 | I | 87.6 | Confident | 87.8 | Confident | 43 Ų | 43 | 72.7 Ų | 72.7 | 22% | 0.221 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.9 | -45.2 | 178.5 | -68.4 | 170.8 | 0 | 0 | 0 | 111.2 | L301 P302 R319 L320 L325 A326 N327 | L301-I323 HydrophobicContact CD2-CD1 3.73Å; P302-I323 HydrophobicContact CG-CG2 4.42Å; R319-I323 WeakPolarHBondContact O-CG1 3.4Å; R319-I323 PolarHBondContact O-N 2.86Å; L320-I323 PolarHBondContact O-N 3.44Å; I323-L325 VanDerWaalsContact C-N 3.29Å; I323-L325 PolarHBondContact O-N 2.99Å; I323-A326 PolarHBondContact O-N 2.85Å; I323-N327 PolarHBondContact O-N 3.33Å |
| 324 | I | 87 | Confident | 87.3 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 15% | 0.154 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 177.3 | -69.7 | 172.2 | 0 | 0 | 0 | 110.4 | L320 N327 P328 N331 F334 I335 V338 | L320-I324 HydrophobicContact CD1-CD1 3.92Å; L320-I324 HydrophobicContact CD1-CG1 4.17Å; L320-I324 HydrophobicContact CD2-CD1 4.39Å; L320-I324 HydrophobicContact CG-CD1 3.78Å; L320-I324 HydrophobicContact CG-CG1 4.39Å; L320-I324 WeakPolarHBondContact O-CG1 3.28Å; L320-I324 PolarHBondContact O-N 3.34Å; I324-N327 CarbonylContact O-C 3.52Å; I324-P328 WeakPolarHBondContact O-CA 3.23Å; I324-P328 WeakPolarHBondContact O-CD 3.26Å; I324-P328 WeakPolarHBondContact O-CG 3.38Å; I324-N331 HydrophobicContact CG1-CB 4.24Å; I324-F334 HydrophobicContact CD1-CB 4.11Å; I324-F334 HydrophobicContact CG1-CB 4.41Å; I324-I335 HydrophobicContact CD1-CG1 4.38Å; I324-I335 HydrophobicContact CG1-CG1 4.48Å; I324-I335 HydrophobicContact CG2-CD1 4.04Å; I324-I335 HydrophobicContact CG2-CG1 3.84Å; I324-V338 HydrophobicContact CD1-CG2 4.42Å |
| 325 | L | 88.6 | Confident | 86.9 | Confident | 116 Ų | 116 | 71.5 Ų | 71.5 | 61% | 0.607 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.8 | -35.3 | 176.9 | -75.4 | -179.8 | 0 | 0 | 0 | 113.1 | H321 I323 | H321-L325 WeakPolarHBondContact CE1-CD1 3.47Å; H321-L325 WeakPolarHBondContact O-CB 3.39Å; H321-L325 WeakPolarHBondContact O-CG 3.41Å; H321-L325 PolarHBondContact O-N 3.45Å; I323-L325 VanDerWaalsContact C-N 3.29Å; I323-L325 PolarHBondContact O-N 2.99Å |
| 326 | A | 88.5 | Confident | 86.6 | Confident | 67 Ų | 67 | 71.7 Ų | 71.7 | 55% | 0.554 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.9 | -48.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S322 I323 | S322-A326 WeakPolarHBondContact O-CB 3.36Å; S322-A326 PolarHBondContact O-N 3.12Å; S322-A326 VanDerWaalsContact O-N 3.09Å; I323-A326 PolarHBondContact O-N 2.85Å |
| 327 | N | 83.8 | Confident | 86.2 | Confident | 91 Ų | 91 | 72.7 Ų | 72.7 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | trans | -135.3 | 80 | -177.6 | -64.1 | -38.1 | 0 | 0 | 0 | 111.1 | I323 I324 Q329 D330 N331 | I323-N327 PolarHBondContact O-N 3.33Å; I324-N327 CarbonylContact O-C 3.52Å; N327-Q329 VanDerWaalsContact C-N 3.32Å; N327-Q329 PolarHBondContact O-N 2.91Å; N327-D330 HydrophobicContact CB-CB 4.29Å; N327-D330 PolarHBondContact O-N 3.29Å; N327-N331 PolarHBondContact O-ND2 2.85Å | ||
| 328 | P | 81.9 | Confident | 85.9 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -60.5 | -40.3 | -177.1 | -23.6 | 31.8 | 0 | 0 | 0 | 113.4 | I324 D330 N331 | I324-P328 WeakPolarHBondContact O-CA 3.23Å; I324-P328 WeakPolarHBondContact O-CD 3.26Å; I324-P328 WeakPolarHBondContact O-CG 3.38Å; P328-D330 VanDerWaalsContact C-N 3.3Å; P328-D330 PolarHBondContact O-N 3.16Å; P328-N331 PolarHBondContact O-N 3.27Å |
| 329 | Q | 79.8 | Confident | 85.6 | Confident | 154 Ų | 154 | 74.6 Ų | 74.6 | 72% | 0.72 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -67.4 | -29.2 | -173.8 | -57.5 | -61.4 | -40.8 | 0 | 0 | 113.1 | N327 N331 | N327-Q329 VanDerWaalsContact C-N 3.32Å; N327-Q329 PolarHBondContact O-N 2.91Å; Q329-N331 VanDerWaalsContact C-N 3.35Å |
| 330 | D | 79.3 | Confident | 85.4 | Confident | 129 Ų | 129 | 72.9 Ų | 72.9 | 69% | 0.69 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -84.5 | -14.9 | -179.4 | -62.8 | -25.8 | 0 | 0 | 0 | 112.2 | N327 P328 | N327-D330 HydrophobicContact CB-CB 4.29Å; N327-D330 PolarHBondContact O-N 3.29Å; P328-D330 VanDerWaalsContact C-N 3.3Å; P328-D330 PolarHBondContact O-N 3.16Å |
| 331 | N | 81.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -114.8 | 25.7 | -170.9 | -66.1 | -68.7 | 0 | 0 | 0 | 113.2 | I324 N327 P328 Q329 N333 F334 I335 | I324-N331 HydrophobicContact CG1-CB 4.24Å; N327-N331 PolarHBondContact O-ND2 2.85Å; P328-N331 PolarHBondContact O-N 3.27Å; Q329-N331 VanDerWaalsContact C-N 3.35Å; N331-N333 PolarHBondContact O-N 3.17Å; N331-F334 HydrophobicContact CB-CD2 4.12Å; N331-F334 WeakPolarHBondContact O-CB 3.44Å; N331-F334 PolarHBondContact O-N 3.08Å; N331-I335 WeakPolarHBondContact O-CG1 3.42Å; N331-I335 PolarHBondContact O-N 3.04Å; N331-I335 VanDerWaalsContact O-N 3.07Å |
| 332 | E | 84.2 | Confident | 85 | Confident | 89 Ų | 89 | 71 Ų | 71 | 42% | 0.416 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54.7 | -36.7 | -180 | -72.8 | -64.7 | 150.2 | 0 | 0 | 113.2 | F334 I335 A336 | E332-F334 PolarHBondContact O-N 2.89Å; E332-I335 PolarHBondContact O-N 2.89Å; E332-A336 WeakPolarHBondContact O-CB 3.42Å; E332-A336 PolarHBondContact O-N 2.81Å |
| 333 | N | 82.9 | Confident | 84.8 | Confident | 130 Ų | 130 | 72.7 Ų | 72.7 | 70% | 0.695 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 176.6 | -70.2 | -25.9 | 0 | 0 | 0 | 112.2 | N331 A336 T337 | N331-N333 PolarHBondContact O-N 3.17Å; N333-A336 PolarHBondContact O-N 2.89Å; N333-T337 PolarHBondContact O-N 3.34Å; N333-T337 VanDerWaalsContact O-N 3.12Å; N333-T337 PolarHBondContact O-OG1 3.21Å |
| 334 | F | 83.2 | Confident | 84.6 | Confident | 23 Ų | 23 | 77.8 Ų | 77.8 | 10% | 0.101 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 176.2 | -70.8 | -79.9 | 0 | 0 | 0 | 111.2 | M299 P302 L320 I324 N331 E332 A336 T337 V338 | M299-F334 HydrophobicContact CB-CD1 4.4Å; M299-F334 HydrophobicContact CB-CE1 3.76Å; M299-F334 HydrophobicContact CB-CZ 4.5Å; M299-F334 HydrophobicContact SD-CD1 3.99Å; M299-F334 HydrophobicContact SD-CE1 4.23Å; P302-F334 HydrophobicContact CG-CE2 3.67Å; P302-F334 HydrophobicContact CG-CZ 4.02Å; L320-F334 HydrophobicContact CD1-CB 4.02Å; L320-F334 HydrophobicContact CD1-CD1 3.43Å; L320-F334 VanDerWaalsContact CD1-CD1 3.43Å; L320-F334 HydrophobicContact CD1-CD2 4.49Å; L320-F334 HydrophobicContact CD1-CE1 3.93Å; L320-F334 HydrophobicContact CD1-CG 3.75Å; L320-F334 HydrophobicContact CD2-CD1 4.45Å; I324-F334 HydrophobicContact CD1-CB 4.11Å; I324-F334 HydrophobicContact CG1-CB 4.41Å; N331-F334 HydrophobicContact CB-CD2 4.12Å; N331-F334 WeakPolarHBondContact O-CB 3.44Å; N331-F334 PolarHBondContact O-N 3.08Å; E332-F334 PolarHBondContact O-N 2.89Å; F334-A336 VanDerWaalsContact C-N 3.34Å; F334-A336 PolarHBondContact O-N 3.43Å; F334-T337 PolarHBondContact O-N 3.08Å; F334-V338 WeakPolarHBondContact O-CB 3.36Å; F334-V338 VanDerWaalsContact O-CG2 3.23Å; F334-V338 WeakPolarHBondContact O-CG2 3.28Å; F334-V338 PolarHBondContact O-N 3.01Å |
| 335 | I | 85.2 | Confident | 84 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 14% | 0.138 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 177.8 | -63.4 | 169.1 | 0 | 0 | 0 | 110.6 | I324 N331 E332 V338 R339 | I324-I335 HydrophobicContact CD1-CG1 4.38Å; I324-I335 HydrophobicContact CG1-CG1 4.48Å; I324-I335 HydrophobicContact CG2-CD1 4.04Å; I324-I335 HydrophobicContact CG2-CG1 3.84Å; N331-I335 WeakPolarHBondContact O-CG1 3.42Å; N331-I335 PolarHBondContact O-N 3.04Å; N331-I335 VanDerWaalsContact O-N 3.07Å; E332-I335 PolarHBondContact O-N 2.89Å; I335-V338 PolarHBondContact O-N 2.82Å; I335-R339 WeakPolarHBondContact O-CG 3.4Å; I335-R339 PolarHBondContact O-N 3.45Å |
| 336 | A | 87.2 | Confident | 82.9 | Confident | 54 Ų | 54 | 80.8 Ų | 80.8 | 45% | 0.446 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E332 N333 F334 R339 E340 | E332-A336 WeakPolarHBondContact O-CB 3.42Å; E332-A336 PolarHBondContact O-N 2.81Å; N333-A336 PolarHBondContact O-N 2.89Å; F334-A336 VanDerWaalsContact C-N 3.34Å; F334-A336 PolarHBondContact O-N 3.43Å; A336-R339 PolarHBondContact O-N 2.68Å; A336-E340 PolarHBondContact O-N 3.44Å |
| 337 | T | 85.2 | Confident | 81.3 | Confident | 21 Ų | 21 | 91 Ų | 91 | 13% | 0.129 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68 | -40.9 | 176.9 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | F296 M299 N333 F334 R339 E340 V341 | F296-T337 HydrophobicContact CD1-CG2 4.35Å; F296-T337 HydrophobicContact CE1-CG2 3.93Å; F296-T337 HydrophobicContact CZ-CG2 4.22Å; M299-T337 HydrophobicContact CE-CG2 4.13Å; M299-T337 WeakPolarHBondContact CE-OG1 3.26Å; M299-T337 HydrophobicContact SD-CG2 3.96Å; N333-T337 PolarHBondContact O-N 3.34Å; N333-T337 VanDerWaalsContact O-N 3.12Å; N333-T337 PolarHBondContact O-OG1 3.21Å; F334-T337 PolarHBondContact O-N 3.08Å; T337-R339 VanDerWaalsContact C-N 3.3Å; T337-R339 PolarHBondContact O-N 2.87Å; T337-E340 PolarHBondContact O-N 3.33Å; T337-V341 HydrophobicContact CG2-CG2 4.3Å; T337-V341 VanDerWaalsContact O-CG2 3.28Å; T337-V341 WeakPolarHBondContact O-CG2 3.4Å; T337-V341 PolarHBondContact O-N 3.31Å |
| 338 | V | 86 | Confident | 81.1 | Confident | 44 Ų | 44 | 91 Ų | 91 | 27% | 0.267 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 172.8 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | F296 L320 I324 F334 I335 E340 V341 V342 | F296-V338 HydrophobicContact CE1-CG2 4.23Å; F296-V338 HydrophobicContact CZ-CG2 3.69Å; L320-V338 HydrophobicContact CD2-CG2 4.3Å; I324-V338 HydrophobicContact CD1-CG2 4.42Å; F334-V338 WeakPolarHBondContact O-CB 3.36Å; F334-V338 VanDerWaalsContact O-CG2 3.23Å; F334-V338 WeakPolarHBondContact O-CG2 3.28Å; F334-V338 PolarHBondContact O-N 3.01Å; I335-V338 PolarHBondContact O-N 2.82Å; V338-E340 VanDerWaalsContact C-N 3.35Å; V338-E340 PolarHBondContact O-N 2.92Å; V338-V341 PolarHBondContact O-N 3.08Å; V338-V342 HydrophobicContact CG1-CG2 4.29Å; V338-V342 VanDerWaalsContact O-CG2 3.29Å; V338-V342 WeakPolarHBondContact O-CG2 3.5Å; V338-V342 PolarHBondContact O-N 3.41Å |
| 339 | R | 85.9 | Confident | 81.1 | Confident | 160 Ų | 160 | 92.6 Ų | 92.6 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 176.8 | -73.6 | 174.6 | -178.5 | 166.1 | 4.9 | 111.9 | I335 A336 T337 N343 | I335-R339 WeakPolarHBondContact O-CG 3.4Å; I335-R339 PolarHBondContact O-N 3.45Å; A336-R339 PolarHBondContact O-N 2.68Å; T337-R339 VanDerWaalsContact C-N 3.3Å; T337-R339 PolarHBondContact O-N 2.87Å; R339-N343 WeakPolarHBondContact O-CB 3.48Å; R339-N343 PolarHBondContact O-N 2.81Å; R339-N343 PolarHBondContact O-ND2 3.05Å |
| 340 | E | 87.9 | Confident | 81.2 | Confident | 96 Ų | 96 | 89.2 Ų | 89.2 | 45% | 0.449 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.4 | -175.1 | 178.5 | -177 | 0 | 0 | 111.8 | A336 T337 V338 N343 R344 | A336-E340 PolarHBondContact O-N 3.44Å; T337-E340 PolarHBondContact O-N 3.33Å; V338-E340 VanDerWaalsContact C-N 3.35Å; V338-E340 PolarHBondContact O-N 2.92Å; E340-N343 PolarHBondContact O-N 3.45Å; E340-R344 WeakPolarHBondContact O-CG 3.31Å; E340-R344 PolarHBondContact O-N 2.93Å; E340-R344 VanDerWaalsContact O-N 3.16Å; E340-R344 IonicContact OE1-CZ 3.12Å; E340-R344 IonicContact OE1-NE 3.98Å; E340-R344 IonicContact OE1-NH2 3.21Å; E340-R344 PolarHBondContact OE1-NH2 2.68Å |
| 341 | V | 85.5 | Confident | 81.3 | Confident | 5 Ų | 5 | 86.9 Ų | 86.9 | 3% | 0.03 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.4 | -45 | -179.6 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | V291 L292 S295 T337 V338 N343 R344 L345 | V291-V341 HydrophobicContact CG1-CG1 4.47Å; L292-V341 HydrophobicContact CD2-CG1 3.83Å; S295-V341 VanDerWaalsContact CB-CG2 3.41Å; S295-V341 WeakPolarHBondContact OG-CG2 3.45Å; T337-V341 HydrophobicContact CG2-CG2 4.3Å; T337-V341 VanDerWaalsContact O-CG2 3.28Å; T337-V341 WeakPolarHBondContact O-CG2 3.4Å; T337-V341 PolarHBondContact O-N 3.31Å; V338-V341 PolarHBondContact O-N 3.08Å; V341-N343 VanDerWaalsContact C-N 3.3Å; V341-N343 PolarHBondContact O-N 3.01Å; V341-R344 WeakPolarHBondContact O-CB 3.44Å; V341-R344 PolarHBondContact O-N 3.36Å; V341-L345 HydrophobicContact CG1-CD1 3.89Å; V341-L345 HydrophobicContact CG1-CG 4.32Å; V341-L345 WeakPolarHBondContact O-CG 3.33Å; V341-L345 PolarHBondContact O-N 3.2Å |
| 342 | V | 84.5 | Confident | 81.3 | Confident | 71 Ų | 71 | 91.7 Ų | 91.7 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 176 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | V338 R344 L345 D346 | V338-V342 HydrophobicContact CG1-CG2 4.29Å; V338-V342 VanDerWaalsContact O-CG2 3.29Å; V338-V342 WeakPolarHBondContact O-CG2 3.5Å; V338-V342 PolarHBondContact O-N 3.41Å; V342-R344 PolarHBondContact O-N 3.39Å; V342-L345 PolarHBondContact O-N 2.91Å; V342-L345 VanDerWaalsContact O-N 3.12Å; V342-D346 PolarHBondContact O-N 3.5Å; V342-D346 VanDerWaalsContact O-N 3.13Å |
| 343 | N | 85.8 | Confident | 81.1 | Confident | 107 Ų | 107 | 91.9 Ų | 91.9 | 57% | 0.572 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64 | -22.1 | 176.4 | -72.3 | -26.4 | 0 | 0 | 0 | 114 | R339 E340 V341 | R339-N343 WeakPolarHBondContact O-CB 3.48Å; R339-N343 PolarHBondContact O-N 2.81Å; R339-N343 PolarHBondContact O-ND2 3.05Å; E340-N343 PolarHBondContact O-N 3.45Å; V341-N343 VanDerWaalsContact C-N 3.3Å; V341-N343 PolarHBondContact O-N 3.01Å |
| 344 | R | 82.8 | Confident | 81 | Confident | 151 Ų | 151 | 89.1 Ų | 89.1 | 57% | 0.57 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -86.5 | -29.7 | 174.6 | -71.6 | 176 | -177.6 | -161.9 | 2.6 | 112.6 | E340 V341 V342 | E340-R344 WeakPolarHBondContact O-CG 3.31Å; E340-R344 PolarHBondContact O-N 2.93Å; E340-R344 VanDerWaalsContact O-N 3.16Å; E340-R344 IonicContact OE1-CZ 3.12Å; E340-R344 IonicContact OE1-NE 3.98Å; E340-R344 IonicContact OE1-NH2 3.21Å; E340-R344 PolarHBondContact OE1-NH2 2.68Å; V341-R344 WeakPolarHBondContact O-CB 3.44Å; V341-R344 PolarHBondContact O-N 3.36Å; V342-R344 PolarHBondContact O-N 3.39Å |
| 345 | L | 75.2 | Confident | 80.8 | Confident | 69 Ų | 69 | 94.2 Ų | 94.2 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -78.6 | -25.7 | 179.2 | -71.3 | 170.1 | 0 | 0 | 0 | 113.1 | L288 V291 V341 V342 R347 | L288-L345 HydrophobicContact CD1-CD1 4.49Å; V291-L345 HydrophobicContact CG1-CD2 4.1Å; V341-L345 HydrophobicContact CG1-CD1 3.89Å; V341-L345 HydrophobicContact CG1-CG 4.32Å; V341-L345 WeakPolarHBondContact O-CG 3.33Å; V341-L345 PolarHBondContact O-N 3.2Å; V342-L345 PolarHBondContact O-N 2.91Å; V342-L345 VanDerWaalsContact O-N 3.12Å; L345-R347 PolarHBondContact O-N 3.09Å |
| 346 | D | 66.1 | Low | 80.4 | Confident | 140 Ų | 140 | 99.8 Ų | 99.8 | 75% | 0.749 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -1.4 | 175.3 | -89.5 | -18.7 | 0 | 0 | 0 | 114 | V342 | V342-D346 PolarHBondContact O-N 3.5Å; V342-D346 VanDerWaalsContact O-N 3.13Å |
| 347 | R | 53 | Low | 79.8 | Confident | 280 Ų | 280 | 104 Ų | 104 | 100% | 1.057 | 47% | 0.474 | S | S | * | . | trans | -107.4 | 0 | 174.6 | -70.1 | -171.9 | -176.7 | -164.2 | 1.3 | 111 | L345 | L345-R347 PolarHBondContact O-N 3.09Š|
Retrieved 347 of 347 residues in 1054.2 ms
(Link to these results)