| 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 | 37.6 | Very low | 44.5 | Very low | 244 Ų | 244 | 142.1 Ų | 142.1 | 100% | 1.202 | 84% | 0.837 | S | S | * | * | 0 | 108.1 | 0 | -76.1 | -177.5 | 170.8 | 0 | 0 | 108.2 | |||||
| 2 | A | 37.4 | Very low | 45 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | trans | -85.8 | 114.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | R4 | A2-R4 PolarHBondContact O-N 2.92Š| ||
| 3 | V | 43 | Very low | 45.7 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -77.7 | 111 | 173.1 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | S5 | V3-S5 PolarHBondContact O-N 3.02Š| ||
| 4 | R | 43.5 | Very low | 46.4 | Very low | 242 Ų | 242 | 140.2 Ų | 140.2 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -63.2 | 113.8 | 172.8 | -75.6 | 170.7 | 146.5 | 166 | -7.4 | 108.8 | A2 | A2-R4 PolarHBondContact O-N 2.92Š| ||
| 5 | S | 40.7 | Very low | 46.8 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -64 | 128.5 | 173.2 | 18.6 | 0 | 0 | 0 | 0 | 110.4 | V3 S7 | V3-S5 PolarHBondContact O-N 3.02Å; S5-S7 PolarHBondContact O-N 3.08Å | ||
| 6 | A | 45.9 | Very low | 47.5 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | -60.5 | 127.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T8 | A6-T8 VanDerWaalsContact C-N 3.35Å; A6-T8 PolarHBondContact O-N 3.01Å | ||
| 7 | S | 43.5 | Very low | 48 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -67.1 | 90.1 | 171.1 | -53.9 | 0 | 0 | 0 | 0 | 109.9 | S5 L9 | S5-S7 PolarHBondContact O-N 3.08Å; S7-L9 PolarHBondContact O-N 3.38Å | ||
| 8 | T | 46.2 | Very low | 48.5 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -73.8 | 93.1 | 168.1 | -45.6 | 0 | 0 | 0 | 0 | 108.3 | A6 T10 | A6-T8 VanDerWaalsContact C-N 3.35Å; A6-T8 PolarHBondContact O-N 3.01Å; T8-T10 PolarHBondContact O-N 3.12Å | ||
| 9 | L | 47.2 | Very low | 48.6 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -56.3 | 102.3 | 165.6 | -94.6 | 138.8 | 0 | 0 | 0 | 108.9 | S7 | S7-L9 PolarHBondContact O-N 3.38Š| ||
| 10 | T | 56 | Low | 48.8 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -74.3 | 130.2 | 168.5 | 51.8 | 0 | 0 | 0 | 0 | 108.6 | T8 F12 | T8-T10 PolarHBondContact O-N 3.12Å; T10-F12 PolarHBondContact O-N 3.44Å | ||
| 11 | P | 48.8 | Very low | 48.7 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -70.2 | 120.8 | 175.1 | 27.6 | -31.4 | 0 | 0 | 0 | 108.8 | S13 | P11-S13 PolarHBondContact O-N 3.45Š| ||
| 12 | F | 50.5 | Low | 49.4 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | 2.2 | 86 | 167.1 | -75.2 | -89.8 | 0 | 0 | 0 | 115.5 | T10 I14 | T10-F12 PolarHBondContact O-N 3.44Å; F12-I14 PolarHBondContact O-N 2.99Å; F12-I14 VanDerWaalsContact O-N 3.13Å | ||
| 13 | S | 53.6 | Low | 49.8 | Very low | 69 Ų | 69 | 138.5 Ų | 138.5 | 48% | 0.483 | 74% | 0.742 | S | S | . | * | trans | -71.4 | 107.6 | 168.4 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | P11 Q15 A16 | P11-S13 PolarHBondContact O-N 3.45Å; S13-Q15 PolarHBondContact O-N 2.88Å; S13-A16 PolarHBondContact O-N 3.15Å | ||
| 14 | I | 55.8 | Low | 50.1 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 67% | 0.672 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -24 | 176.5 | -62.3 | 171 | 0 | 0 | 0 | 111.1 | F12 A16 I17 | F12-I14 PolarHBondContact O-N 2.99Å; F12-I14 VanDerWaalsContact O-N 3.13Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 3.09Å; I14-I17 PolarHBondContact O-N 3.42Å |
| 15 | Q | 52.8 | Low | 50.3 | Low | 146 Ų | 146 | 135.4 Ų | 135.4 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -68.2 | -25.7 | 178.8 | -64.2 | -178.1 | -10.5 | 0 | 0 | 114 | S13 I17 L18 N19 | S13-Q15 PolarHBondContact O-N 2.88Å; Q15-I17 PolarHBondContact O-N 3.17Å; Q15-L18 PolarHBondContact O-N 3.02Å; Q15-N19 PolarHBondContact O-N 3.48Å |
| 16 | A | 58.3 | Low | 50.3 | Low | 72 Ų | 72 | 134 Ų | 134 | 60% | 0.595 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -69.3 | -23.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S13 I14 | S13-A16 PolarHBondContact O-N 3.15Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 3.09Å |
| 17 | I | 55.7 | Low | 49.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 62% | 0.621 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -80.3 | -32.1 | 179.9 | -59 | 173.5 | 0 | 0 | 0 | 110.8 | I14 Q15 | I14-I17 PolarHBondContact O-N 3.42Å; Q15-I17 PolarHBondContact O-N 3.17Å |
| 18 | L | 57.4 | Low | 49.4 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -77.6 | -34.8 | -178.5 | -66.3 | 176.1 | 0 | 0 | 0 | 112.4 | Q15 K20 K21 | Q15-L18 PolarHBondContact O-N 3.02Å; L18-K20 VanDerWaalsContact C-N 3.29Å; L18-K20 PolarHBondContact O-N 3.38Å; L18-K21 PolarHBondContact O-N 3.19Å |
| 19 | N | 49.9 | Very low | 49 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -70.5 | -21.5 | 177.4 | -99 | -38.6 | 0 | 0 | 0 | 114 | Q15 K21 | Q15-N19 PolarHBondContact O-N 3.48Å; N19-K21 PolarHBondContact O-N 3.22Å |
| 20 | K | 52.1 | Low | 48.8 | Very low | 184 Ų | 184 | 132.3 Ų | 132.3 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -1.4 | 178.8 | -165.7 | 148.2 | -178.1 | 167.3 | 0 | 113.9 | L18 | L18-K20 VanDerWaalsContact C-N 3.29Å; L18-K20 PolarHBondContact O-N 3.38Å |
| 21 | K | 47.8 | Very low | 48.5 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -10.7 | -179.1 | -167.3 | 166.7 | 175.6 | 179.3 | 0 | 113.9 | L18 N19 | L18-K21 PolarHBondContact O-N 3.19Å; N19-K21 PolarHBondContact O-N 3.22Å |
| 22 | E | 52.2 | Low | 48.2 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -30.2 | -178.2 | -157.3 | 169.5 | 134.6 | 0 | 0 | 113.3 | R24 | E22-R24 PolarHBondContact O-N 3.2Š|
| 23 | E | 45.8 | Very low | 47.4 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 13.9 | -178.4 | -69.8 | -71.3 | 129.6 | 0 | 0 | 115.3 | ||
| 24 | R | 47.7 | Very low | 47.2 | Very low | 244 Ų | 244 | 139.6 Ų | 139.6 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | 15.6 | 178.6 | -126.9 | -173.8 | -171.5 | -165.7 | 2.1 | 114 | E22 | E22-R24 PolarHBondContact O-N 3.2Š|
| 25 | G | 48.8 | Very low | 46.9 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -136.2 | 74.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 26 | G | 39.4 | Very low | 46.4 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 173.4 | 103.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 27 | G | 35.7 | Very low | 46 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 157 | 75.6 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 28 | L | 35.9 | Very low | 45.1 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -131.2 | 93 | 159.2 | -100.5 | 157 | 0 | 0 | 0 | 107.6 | ||||
| 29 | A | 37.2 | Very low | 44.1 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -94.5 | 127.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 30 | A | 42.7 | Very low | 43.8 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -69.9 | 149.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 31 | P | 50 | Low | 43 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | -133.3 | 154.9 | 128.8 | 33.9 | -23.2 | 0 | 0 | 0 | 114 | |||||
| 32 | E | 43.5 | Very low | 42.6 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 95% | 0.949 | 84% | 0.835 | S | S | * | * | trans | -54.3 | 151 | 179.2 | -72.4 | -164 | 99.8 | 0 | 0 | 115.5 | ||||
| 33 | G | 34.2 | Very low | 42.1 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | 155.8 | 100.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 34 | R | 48 | Very low | 41.8 | Very low | 246 Ų | 246 | 129.1 Ų | 129.1 | 93% | 0.928 | 84% | 0.839 | S | S | * | * | trans | -78.2 | 167.8 | 159.3 | -106.9 | -170.3 | 178.5 | -164.5 | 1.3 | 109.8 | ||||
| 35 | P | 50 | Low | 41.6 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | cis | -133.7 | 178 | 15.2 | 31.1 | -7.2 | 0 | 0 | 0 | 116.4 | ||||
| 36 | A | 42.1 | Very low | 41.4 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | -68.6 | -168.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 37 | P | 50.8 | Low | 41.6 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | cis | -138.6 | 172.4 | -6.5 | 38.7 | -19.8 | 0 | 0 | 0 | 115.7 | ||||
| 38 | G | 36 | Very low | 42.1 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | 122.1 | 119.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 39 | G | 36.6 | Very low | 42.6 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | 153.8 | 101.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E41 | G39-E41 PolarHBondContact O-N 3.5Š| ||
| 40 | T | 44 | Very low | 43.1 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | trans | -42.3 | 120.6 | 168.8 | 31.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 41 | E | 33.7 | Very low | 43 | Very low | 196 Ų | 196 | 126 Ų | 126 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 120.2 | 164.2 | -71.7 | -142.3 | 137 | 0 | 0 | 111.1 | G39 | G39-E41 PolarHBondContact O-N 3.5Š|
| 42 | V | 40.3 | Very low | 42.9 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 123.4 | 165.3 | 170.4 | 0 | 0 | 0 | 0 | 107.7 | V44 | V42-V44 PolarHBondContact O-N 3.42Š|
| 43 | A | 41.5 | Very low | 42.8 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 44 | V | 40.8 | Very low | 43.3 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | -121.2 | 121.9 | 165.8 | 174.4 | 0 | 0 | 0 | 0 | 108.9 | V42 | V42-V44 PolarHBondContact O-N 3.42Š| ||
| 45 | A | 43.1 | Very low | 42.9 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -67 | 152.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 46 | P | 44.4 | Very low | 42.4 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 125.7 | 179.9 | 30.8 | -32.6 | 0 | 0 | 0 | 112.4 | ||
| 47 | A | 42.6 | Very low | 42 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 151 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 48 | P | 46.3 | Very low | 41.2 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 151.5 | -162.9 | 29.8 | -36.1 | 0 | 0 | 0 | 115.5 | V50 | P48-V50 PolarHBondContact O-N 2.82Š|
| 49 | A | 47.3 | Very low | 41.4 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 117.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C51 | A49-C51 PolarHBondContact O-N 3.41Š|
| 50 | V | 46.8 | Very low | 41.4 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 80% | 0.8 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 121.8 | 170.8 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | P48 C52 | P48-V50 PolarHBondContact O-N 2.82Å; V50-C52 PolarHBondContact O-N 3.22Å |
| 51 | C | 41.3 | Very low | 41.1 | Very low | 117 Ų | 117 | 143 Ų | 143 | 79% | 0.791 | 84% | 0.837 | S | S | * | * | trans | -64.3 | 111.2 | 174.9 | -85.6 | 0 | 0 | 0 | 0 | 111.2 | A49 W53 | A49-C51 PolarHBondContact O-N 3.41Å; C51-W53 PolarHBondContact O-N 3.46Å | ||
| 52 | C | 48.4 | Very low | 41.2 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | trans | -75.2 | 86.4 | 174.7 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | V50 | V50-C52 PolarHBondContact O-N 3.22Š| ||
| 53 | W | 41.1 | Very low | 40.8 | Very low | 246 Ų | 246 | 137.1 Ų | 137.1 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -138 | 83.3 | 155.8 | -68.1 | 92.5 | 0 | 0 | 0 | 109.9 | C51 | C51-W53 PolarHBondContact O-N 3.46Š| ||
| 54 | R | 44.6 | Very low | 40.7 | Very low | 242 Ų | 242 | 140.5 Ų | 140.5 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -144.6 | 104.4 | 155.5 | -87.2 | -164.3 | -177.4 | 108.3 | -2.1 | 108.9 | ||||
| 55 | L | 39.7 | Very low | 40.2 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -161.2 | 83.3 | 165.6 | -109.4 | 140 | 0 | 0 | 0 | 108.3 | ||||
| 56 | F | 39.2 | Very low | 39.6 | Very low | 215 Ų | 215 | 137.5 Ų | 137.5 | 94% | 0.943 | 84% | 0.836 | S | S | * | * | S | Bend | -170.4 | 118.1 | 125.7 | -137.9 | -99.4 | 0 | 0 | 0 | 111 | |||
| 57 | G | 32.7 | Very low | 39.2 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | trans | 103.7 | 71.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 58 | E | 34.3 | Very low | 39.1 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -126.4 | 117.3 | 152.1 | -134.3 | 155.9 | 117.4 | 0 | 0 | 107.3 | ||||
| 59 | T | 39.9 | Very low | 38.6 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -95.1 | 107.5 | -178 | -26.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 60 | D | 36.8 | Very low | 38.2 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -86.6 | 125 | 174.6 | -160.3 | -84.2 | 0 | 0 | 0 | 109.4 | ||||
| 61 | A | 39.1 | Very low | 37.6 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -115.5 | 109.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 62 | G | 35 | Very low | 37.3 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | 81 | 84.7 | 135.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 63 | V | 32.5 | Very low | 36.6 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 76% | 0.758 | 83% | 0.828 | S | S | * | * | trans | -37.3 | 132.5 | 147.8 | 170.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 64 | L | 38.1 | Very low | 36.5 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -158.3 | 117.5 | 136 | -78.8 | -168.3 | 0 | 0 | 0 | 111.8 | ||||
| 65 | G | 30.5 | Very low | 36.7 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 64.8 | 125.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 66 | G | 31.9 | Very low | 36.9 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | cis | 107.2 | 132 | 32.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 67 | A | 34.6 | Very low | 36.8 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 86 | 132.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 68 | E | 40.3 | Very low | 37.1 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | cis | -168.9 | 155.9 | 9.3 | 49.2 | -154.2 | 87.5 | 0 | 0 | 110.1 | ||||
| 69 | D | 36.5 | Very low | 37.1 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | 17.4 | 122 | 163.8 | -79.5 | -61 | 0 | 0 | 0 | 125.9 | ||||
| 70 | S | 39.3 | Very low | 36.8 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | 45.1 | 106.8 | 111.8 | -50 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 71 | R | 32.8 | Very low | 36.7 | Very low | 225 Ų | 225 | 133.7 Ų | 133.7 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | 71.8 | 118.9 | 125.3 | -73.5 | -173.4 | 170.4 | 171.7 | -0.9 | 120.7 | |||||
| 72 | L | 35.7 | Very low | 36.5 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | 74 | 113.5 | 135.4 | -58.8 | 168.4 | 0 | 0 | 0 | 117.9 | ||||
| 73 | A | 34.5 | Very low | 36.6 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | 171.7 | 121.1 | 113 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 74 | S | 38.1 | Very low | 36.8 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -71.7 | 147.1 | 150.7 | -48.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 75 | P | 49.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | -144.6 | 151.6 | 111.5 | 31.4 | -13.5 | 0 | 0 | 0 | 115.1 | |||||
| 76 | T | 43.2 | Very low | 37.3 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -41.6 | 138.8 | 163.7 | 45 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 77 | R | 37.3 | Very low | 37.6 | Very low | 242 Ų | 242 | 142.6 Ų | 142.6 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | -170.5 | 152.7 | 128.8 | -159 | 158.8 | 148.5 | 141.3 | -6.6 | 113.6 | |||||
| 78 | N | 39 | Very low | 38.3 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -66.9 | 159.1 | -170 | -56.9 | -30.4 | 0 | 0 | 0 | 117.9 | ||||
| 79 | R | 34.1 | Very low | 39 | Very low | 233 Ų | 233 | 140.9 Ų | 140.9 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 85.5 | 123.8 | 130.8 | -104 | -173.9 | 161.3 | 177.7 | -4.8 | 121.2 | ||||
| 80 | T | 33.6 | Very low | 39.4 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 90.7 | 108.1 | 131.8 | -45.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 81 | A | 35.4 | Very low | 39.3 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | 60.5 | 148.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 82 | V | 34.9 | Very low | 40.3 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | 103 | 114.8 | 153.5 | -175.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 83 | G | 37.1 | Very low | 40.5 | Very low | 68 Ų | 68 | 137.6 Ų | 137.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 87.8 | 87.9 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 84 | Q | 36.9 | Very low | 40.9 | Very low | 203 Ų | 203 | 137.4 Ų | 137.4 | 95% | 0.949 | 80% | 0.797 | S | S | * | * | trans | -109.9 | 106.2 | 156.1 | -75.8 | -178.1 | 10.2 | 0 | 0 | 109.4 | ||||
| 85 | T | 36.6 | Very low | 41.4 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -70.6 | 133 | 158.4 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 86 | A | 41.9 | Very low | 41.3 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | trans | 52.1 | 152.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 87 | E | 38.4 | Very low | 41.3 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | cis | -159.3 | 137 | 29.5 | -11.3 | -141.1 | 77.8 | 0 | 0 | 106.5 | ||||
| 88 | S | 49 | Very low | 41.4 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -94.8 | 151.9 | 161.6 | -160.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 89 | P | 54.8 | Low | 41.3 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -148 | 131.7 | 92.3 | 29.7 | -9.5 | 0 | 0 | 0 | 114.7 | |||||
| 90 | G | 46.4 | Very low | 41.9 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -81.4 | 135.3 | 141.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 91 | G | 36.8 | Very low | 42.5 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -168.5 | 96.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 92 | W | 52.7 | Low | 42.8 | Very low | 265 Ų | 265 | 135.6 Ų | 135.6 | 100% | 1.004 | 80% | 0.803 | S | S | * | * | trans | -89.6 | 110.2 | 166.2 | -67.9 | 62 | 0 | 0 | 0 | 106.2 | ||||
| 93 | D | 41.5 | Very low | 43 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -156.8 | 142.2 | 174.4 | -140.1 | -88.8 | 0 | 0 | 0 | 104 | ||||
| 94 | S | 43 | Very low | 42.9 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | cis | -174.2 | 141.3 | -12.8 | -92.2 | 0 | 0 | 0 | 0 | 102.2 | ||||
| 95 | D | 47.1 | Very low | 43.1 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -162.4 | 111.6 | 134.8 | -144.6 | -91.6 | 0 | 0 | 0 | 110.8 | ||||
| 96 | S | 48.6 | Very low | 43.2 | Very low | 127 Ų | 127 | 143 Ų | 143 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -111.8 | 116.3 | 157.6 | -71.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 97 | A | 42.7 | Very low | 43.2 | Very low | 88 Ų | 88 | 148.9 Ų | 148.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -149.4 | 124.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 98 | L | 38.8 | Very low | 43.1 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -74.7 | 150.6 | 177.5 | -59.1 | 162.6 | 0 | 0 | 0 | 110.7 | ||||
| 99 | S | 37.8 | Very low | 42.7 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | -179.5 | 134.2 | 112.2 | -106.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 100 | E | 46.9 | Very low | 41.8 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | 23.8 | 116.4 | 142.4 | -70.3 | 153.4 | 95.4 | 0 | 0 | 120.4 | ||||
| 101 | E | 46.3 | Very low | 41.7 | Very low | 197 Ų | 197 | 149.9 Ų | 149.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | -147 | 120.6 | 128.2 | 56.8 | -170.5 | 107 | 0 | 0 | 111.4 | |||||
| 102 | N | 40.5 | Very low | 42.1 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -84.9 | 127.3 | 165.5 | 154.6 | 80.9 | 0 | 0 | 0 | 108.2 | ||||
| 103 | E | 39.5 | Very low | 41.2 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -174.3 | 136.8 | 142 | -156.8 | 69 | -130.6 | 0 | 0 | 108.5 | ||||
| 104 | G | 34.3 | Very low | 41.1 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | 151 | 24.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 105 | R | 41.1 | Very low | 40.9 | Very low | 204 Ų | 204 | 144 Ų | 144 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | 68.2 | 80.4 | 139.6 | -143.6 | 171.7 | -161.9 | -117.8 | -0.9 | 118.4 | R107 | R105-R107 PolarHBondContact O-N 3.33Š| ||
| 106 | R | 39.2 | Very low | 40.3 | Very low | 254 Ų | 254 | 139.8 Ų | 139.8 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -64.3 | 112.7 | 143 | -70.2 | -167.8 | -170.3 | -114.8 | 3.4 | 108.2 | ||||
| 107 | R | 41.7 | Very low | 39.7 | Very low | 203 Ų | 203 | 138.5 Ų | 138.5 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -81.2 | 112.3 | 163.7 | -95.1 | -173.4 | -81.5 | -167.1 | -5.5 | 108.1 | R105 | R105-R107 PolarHBondContact O-N 3.33Š| ||
| 108 | C | 37.4 | Very low | 39.2 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | trans | -172.1 | 92.4 | 148.5 | -91.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 109 | A | 38.9 | Very low | 39.3 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | -174.6 | 122 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 110 | D | 36.1 | Very low | 39.2 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -158.3 | 121.3 | 149.5 | -89.4 | -50.9 | 0 | 0 | 0 | 102 | ||||
| 111 | V | 43.9 | Very low | 38.6 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 74% | 0.739 | 83% | 0.829 | S | S | * | * | cis | -159.9 | 149.6 | 28.3 | 176.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 112 | P | 46.1 | Very low | 38.1 | Very low | 132 Ų | 132 | 144 Ų | 144 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -132.3 | 124.1 | 132.3 | 33.9 | -21.9 | 0 | 0 | 0 | 111.4 | ||||
| 113 | G | 34.5 | Very low | 37.9 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -98 | 114.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 114 | A | 39 | Very low | 37.9 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -140.8 | 117.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 115 | S | 38.9 | Very low | 37.8 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | trans | -90.1 | 151.8 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 116 | G | 33.5 | Very low | 37.5 | Very low | 63 Ų | 63 | 141.2 Ų | 141.2 | 65% | 0.649 | 82% | 0.821 | S | S | * | * | trans | 121.9 | 92 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 117 | A | 35.9 | Very low | 37.2 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | 62.2 | 131.7 | 88.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 118 | C | 32.8 | Very low | 36.8 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | cis | -167 | 147.3 | 13.7 | 43.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 119 | R | 41 | Very low | 37.6 | Very low | 238 Ų | 238 | 132.2 Ų | 132.2 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | 38.2 | 111.4 | 146.8 | -60.6 | 177.9 | 178.3 | -112.1 | -1.9 | 118.8 | ||||
| 120 | T | 35.3 | Very low | 37.1 | Very low | 155 Ų | 155 | 135 Ų | 135 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | -139.3 | 147.3 | 132.1 | 33.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 121 | R | 35 | Very low | 36.8 | Very low | 227 Ų | 227 | 132.2 Ų | 132.2 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -113.4 | 146.4 | -165.3 | -168.8 | -160.1 | -174.3 | 161.7 | 0.7 | 106.2 | ||||
| 122 | V | 35 | Very low | 36.3 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | 70.8 | 136 | 155 | 159.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 123 | T | 36 | Very low | 35.7 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -168.1 | 151.1 | 1.5 | 24.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 124 | L | 39.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 139 Ų | 139 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | 15.3 | 151.6 | 145.7 | -69 | 164 | 0 | 0 | 0 | 122.8 | ||||
| 125 | S | 31.7 | Very low | 35.4 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | 91.4 | 150.2 | 155.8 | -56.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 126 | L | 35.7 | Very low | 35.2 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | cis | -178.8 | 150.4 | -18.6 | 177.7 | 68.7 | 0 | 0 | 0 | 101.9 | ||||
| 127 | D | 32.8 | Very low | 35.4 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 78.2 | 144.6 | 156.9 | -110.6 | -100.4 | 0 | 0 | 0 | 121.8 | ||||
| 128 | Q | 34.4 | Very low | 35.3 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -77.1 | -150.2 | 175.4 | -56 | 177.6 | 1.9 | 0 | 0 | 110.4 | ||||
| 129 | P | 53.6 | Low | 36 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 58% | 0.584 | 77% | 0.771 | S | S | * | * | -122.8 | -164.4 | -68.9 | 26.8 | -5.4 | 0 | 0 | 0 | 110.7 | |||||
| 130 | I | 27.2 | Very low | 36.1 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 97.5 | 138.5 | 152.9 | -59 | 160.2 | 0 | 0 | 0 | 117.9 | ||||
| 131 | C | 30.9 | Very low | 36.4 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | -52 | 155.2 | -179.7 | -46.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 132 | E | 33.8 | Very low | 36.5 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | 154.8 | 138.8 | 115.9 | -103.3 | -174.7 | 93.9 | 0 | 0 | 114.2 | |||||
| 133 | M | 32 | Very low | 36.8 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | trans | 66.2 | 112.1 | 139.5 | -68.3 | -77.2 | 99.4 | 0 | 0 | 122.7 | ||||
| 134 | H | 31.5 | Very low | 37.4 | Very low | 169 Ų | 169 | 139 Ų | 139 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | 40.5 | 125.6 | 124.1 | -81 | -122 | 0 | 0 | 0 | 119.7 | |||||
| 135 | A | 36.3 | Very low | 37.3 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | 169.2 | 112.4 | 118.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 136 | V | 34.5 | Very low | 37.9 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | trans | 39.8 | 126.7 | 133.8 | -71.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 137 | K | 37.9 | Very low | 38.7 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | 177.8 | 104.5 | 119.1 | -93.9 | 160 | 179.1 | -179.2 | 0 | 108.5 | |||||
| 138 | D | 33.4 | Very low | 39.3 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | 62.1 | 108 | 91.4 | -85.7 | -71.4 | 0 | 0 | 0 | 113.9 | |||||
| 139 | L | 48.4 | Very low | 40.3 | Very low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | -171.5 | 111 | 118.9 | -118.8 | 84 | 0 | 0 | 0 | 110.9 | |||||
| 140 | E | 43.1 | Very low | 40 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 45.9 | 113 | 133 | -60 | 178.2 | 118.2 | 0 | 0 | 119.4 | ||||
| 141 | E | 41.9 | Very low | 41.6 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | 69.1 | 115.4 | 91.1 | -121.7 | -162 | 171.7 | 0 | 0 | 111.9 | |||||
| 142 | E | 37 | Very low | 42.4 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | -164.6 | 143.4 | 74.6 | -85.6 | -80.7 | 71.9 | 0 | 0 | 111.9 | |||||
| 143 | A | 41.8 | Very low | 43.2 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -84.8 | -158.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 144 | P | 47.7 | Very low | 43.7 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -135.8 | 176.2 | -13.7 | 30.2 | -7.6 | 0 | 0 | 0 | 113.5 | ||||
| 145 | V | 37.5 | Very low | 44.9 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | 164.9 | 101.2 | 128.1 | 166 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 146 | R | 44.3 | Very low | 45.4 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 42.1 | 123 | 132.4 | -54.9 | -172.5 | 162 | 127.9 | 1.7 | 121.2 | ||||
| 147 | S | 52 | Low | 46 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | 179.6 | 108.8 | 106 | -78.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 148 | D | 46.6 | Very low | 46.2 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -92.2 | 143.7 | 163.2 | -67.4 | -65.8 | 0 | 0 | 0 | 109.6 | ||||
| 149 | S | 55.9 | Low | 46.8 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -139.7 | 90.7 | 169.5 | -64.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 150 | E | 47.3 | Very low | 46.7 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -89.5 | 125.3 | 170.4 | -50.7 | -173.9 | 108.4 | 0 | 0 | 108.4 | ||||
| 151 | T | 59 | Low | 47.1 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | -96 | 97.1 | 176 | 79.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 152 | S | 47.7 | Very low | 47 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -84.3 | 130.6 | 165.9 | -72.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 153 | A | 51.2 | Low | 47.6 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -134.3 | 98.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 154 | S | 43 | Very low | 48 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -89.4 | 133.7 | 162.3 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 155 | V | 56.9 | Low | 47.9 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -131.8 | 103.3 | 160.7 | -164.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 156 | S | 47.2 | Very low | 48.3 | Very low | 126 Ų | 126 | 140 Ų | 140 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 138.4 | 159.5 | -79.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 157 | G | 46 | Very low | 48 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -159.3 | 83.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 158 | D | 43.4 | Very low | 47.6 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -66 | 128.4 | 172.9 | -163.2 | -79.2 | 0 | 0 | 0 | 110.9 | ||||
| 159 | H | 45.9 | Very low | 47 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -154.9 | 103.8 | 152.7 | -161.9 | 56.8 | 0 | 0 | 0 | 111.5 | ||||
| 160 | S | 46 | Very low | 46.3 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 157.7 | 166.9 | -82.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 161 | P | 50.5 | Low | 45.8 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 137.5 | -165.9 | 32.8 | -34 | 0 | 0 | 0 | 113.1 | ||
| 162 | R | 39.3 | Very low | 44.7 | Very low | 200 Ų | 200 | 124.9 Ų | 124.9 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 119.2 | 173.8 | -173.5 | 174.1 | 173.6 | 117.2 | -1.6 | 110.6 | E164 | R162-E164 HydrophobicContact CG-CG 4.45Å; R162-E164 IonicContact CZ-OE1 3.44Å; R162-E164 IonicContact NE-OE1 3.08Å; R162-E164 PolarHBondContact NE-OE1 2.86Å; R162-E164 IonicContact NH2-OE1 2.92Å; R162-E164 PolarHBondContact NH2-OE1 3.07Å |
| 163 | V | 51 | Low | 44.4 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 131.5 | 161.8 | -89.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 164 | E | 49.8 | Very low | 43.9 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -134.1 | 126.9 | 154.2 | -64.9 | -156.8 | 152.9 | 0 | 0 | 109.4 | R162 | R162-E164 HydrophobicContact CG-CG 4.45Å; R162-E164 IonicContact CZ-OE1 3.44Å; R162-E164 IonicContact NE-OE1 3.08Å; R162-E164 PolarHBondContact NE-OE1 2.86Å; R162-E164 IonicContact NH2-OE1 2.92Å; R162-E164 PolarHBondContact NH2-OE1 3.07Å | ||
| 165 | D | 45.6 | Very low | 44.4 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -109.7 | 169.7 | 175.9 | 178.4 | -141.8 | 0 | 0 | 0 | 108.1 | ||||
| 166 | D | 46.6 | Very low | 44.2 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 81.7 | 129.3 | 178.1 | -59.5 | -65.4 | 0 | 0 | 0 | 116.9 | ||||
| 167 | G | 36.7 | Very low | 44.1 | Very low | 69 Ų | 69 | 126.9 Ų | 126.9 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 175.8 | 153 | 1.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 168 | V | 43 | Very low | 43.8 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | 52.4 | 116.8 | 148.8 | 169.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 169 | S | 35.3 | Very low | 43.9 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | 162.4 | 116.3 | 106 | -159.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 170 | T | 41.1 | Very low | 43.5 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | 70.9 | 120.6 | 137.1 | -40.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 171 | G | 35.8 | Very low | 43.2 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 116.8 | 112.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 172 | G | 37.3 | Very low | 42.8 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | cis | 125.3 | 82.2 | 17.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 173 | A | 41.1 | Very low | 42.7 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 175.4 | 105.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 174 | R | 41.3 | Very low | 42.3 | Very low | 236 Ų | 236 | 120.2 Ų | 120.2 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | 54.5 | 118.4 | 87.1 | -74.2 | -171.7 | 175.9 | -162.9 | -0.5 | 111 | |||||
| 175 | V | 53.5 | Low | 41.6 | Very low | 137 Ų | 137 | 116.5 Ų | 116.5 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | cis | -172.2 | 174.1 | 36.7 | -103.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 176 | P | 52.7 | Low | 41.5 | Very low | 108 Ų | 108 | 114 Ų | 114 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -109.8 | 173.3 | -133.9 | 43.8 | -39.5 | 0 | 0 | 0 | 116.3 | ||||
| 177 | G | 43.6 | Very low | 41.3 | Very low | 67 Ų | 67 | 112.6 Ų | 112.6 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 166.1 | 156 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 178 | L | 40.4 | Very low | 41.2 | Very low | 158 Ų | 158 | 113.3 Ų | 113.3 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -157.7 | 119.2 | 157.7 | -96.2 | 136.3 | 0 | 0 | 0 | 109.9 | ||||
| 179 | C | 45.3 | Very low | 41.1 | Very low | 117 Ų | 117 | 111 Ų | 111 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -80.7 | 142.4 | 151.2 | 51.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 180 | S | 36.7 | Very low | 42.1 | Very low | 120 Ų | 120 | 112 Ų | 112 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -164.1 | 151.7 | 150.5 | -85 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 181 | S | 41.3 | Very low | 42 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -88.4 | 163.6 | -160.7 | 54 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 182 | A | 41.8 | Very low | 41.9 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | 60.4 | 133.8 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 183 | G | 36.1 | Very low | 42.1 | Very low | 81 Ų | 81 | 112.1 Ų | 112.1 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 173.5 | 113.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 184 | S | 42.5 | Very low | 42.1 | Very low | 128 Ų | 128 | 117 Ų | 117 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -87.3 | 155.7 | -177.9 | -61.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 185 | G | 36.8 | Very low | 42.4 | Very low | 80 Ų | 80 | 115 Ų | 115 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | 72.4 | 158.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 186 | A | 41.8 | Very low | 42 | Very low | 89 Ų | 89 | 118 Ų | 118 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | cis | -167.4 | 148.9 | -13.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 187 | S | 42.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | 44.1 | 127 | 148.4 | 52.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 188 | G | 34.3 | Very low | 42.1 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | 158.8 | 109.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 189 | A | 41.2 | Very low | 42.8 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | -124.3 | 173.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 190 | P | 56.2 | Low | 43 | Very low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | cis | -139.4 | -176.1 | -0.6 | 38.8 | -18.7 | 0 | 0 | 0 | 115.7 | ||||
| 191 | A | 39.4 | Very low | 44 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | 88.2 | 125.2 | 146 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 192 | G | 34.8 | Very low | 45.1 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | 160 | 99.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 193 | S | 40.8 | Very low | 46 | Very low | 118 Ų | 118 | 125 Ų | 125 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -60.6 | 146.2 | 178.8 | -59.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 194 | M | 41.3 | Very low | 47.5 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 96% | 0.961 | 82% | 0.82 | S | S | * | * | trans | -164.2 | 136.8 | 135.9 | -100.8 | 155.8 | -167.5 | 0 | 0 | 109.3 | ||||
| 195 | E | 47.8 | Very low | 48.6 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -80.1 | 133.6 | -172.2 | -54.4 | 174.1 | 138.7 | 0 | 0 | 109.6 | ||||
| 196 | E | 45.1 | Very low | 50.1 | Low | 199 Ų | 199 | 137 Ų | 137 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -152.2 | 150.7 | 161.8 | -131.5 | 179.4 | 161.5 | 0 | 0 | 110.8 | ||||
| 197 | E | 45.8 | Very low | 51.7 | Low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -59.2 | 152.7 | -149.5 | -70.6 | -166.8 | 112.1 | 0 | 0 | 118.8 | E199 | E197-E199 PolarHBondContact O-N 2.96Š| ||
| 198 | E | 51.2 | Low | 53.4 | Low | 183 Ų | 183 | 146.3 Ų | 146.3 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | -62.5 | 108.6 | 165.4 | -175.3 | -163.3 | 146.5 | 0 | 0 | 111.4 | ||||
| 199 | E | 56.6 | Low | 55.6 | Low | 164 Ų | 164 | 154 Ų | 154 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | trans | -110.1 | 121.1 | 156.8 | -153.9 | -115.8 | 126.2 | 0 | 0 | 107.6 | E197 A201 | E197-E199 PolarHBondContact O-N 2.96Å; E199-A201 VanDerWaalsContact C-N 3.34Å; E199-A201 PolarHBondContact O-N 3.4Å | ||
| 200 | P | 49.1 | Very low | 57.6 | Low | 102 Ų | 102 | 154.9 Ų | 154.9 | 66% | 0.662 | 83% | 0.83 | S | S | * | * | trans | -72 | 91.1 | -174.3 | 28.1 | -33.7 | 0 | 0 | 0 | 110 | A202 | P200-A202 PolarHBondContact O-N 2.72Š| ||
| 201 | A | 56.9 | Low | 59.2 | Low | 85 Ų | 85 | 160.5 Ų | 160.5 | 70% | 0.702 | 84% | 0.835 | S | S | * | * | trans | -49 | 111.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E199 | E199-A201 VanDerWaalsContact C-N 3.34Å; E199-A201 PolarHBondContact O-N 3.4Å | ||
| 202 | A | 65.1 | Low | 61.6 | Low | 78 Ų | 78 | 160.1 Ų | 160.1 | 65% | 0.645 | 83% | 0.832 | S | S | * | * | trans | -43.9 | 143.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P200 K204 | P200-A202 PolarHBondContact O-N 2.72Å; A202-K204 PolarHBondContact O-N 2.91Å | ||
| 203 | P | 60.2 | Low | 64.5 | Low | 127 Ų | 127 | 160.8 Ų | 160.8 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -61.9 | 105.4 | -176 | 25.2 | -33.7 | 0 | 0 | 0 | 110 | P205 | P203-P205 VanDerWaalsContact O-N 3.16Š| ||
| 204 | K | 67.2 | Low | 67.2 | Low | 183 Ų | 183 | 158.3 Ų | 158.3 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -50.3 | 122.9 | 176.5 | -67.8 | 177.4 | -177.7 | 174.7 | 0 | 108.7 | A202 R206 | A202-K204 PolarHBondContact O-N 2.91Å; K204-R206 PolarHBondContact O-N 3.44Å | ||
| 205 | P | 65.5 | Low | 69.9 | Low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -61.9 | 117.7 | -178.1 | 23.2 | -31.9 | 0 | 0 | 0 | 108.7 | P203 K207 | P203-P205 VanDerWaalsContact O-N 3.16Å; P205-K207 PolarHBondContact O-N 3.48Å | ||
| 206 | R | 69.5 | Low | 72.4 | Confident | 242 Ų | 242 | 150.2 Ų | 150.2 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -57.3 | 107.2 | 178.4 | -63.9 | -175.9 | -179.2 | -152.5 | 0.3 | 108.2 | K204 K208 | K204-R206 PolarHBondContact O-N 3.44Å; R206-K208 PolarHBondContact O-N 3.3Å | ||
| 207 | K | 74.9 | Confident | 74.9 | Confident | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -58.4 | 112.8 | 180 | -64.3 | 173.3 | -176.9 | 178.6 | 0 | 108.4 | P205 R209 | P205-K207 PolarHBondContact O-N 3.48Å; K207-R209 PolarHBondContact O-N 3.27Å | ||
| 208 | K | 79.2 | Confident | 77.4 | Confident | 205 Ų | 205 | 136.7 Ų | 136.7 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | trans | -58.5 | 118.9 | 177.8 | -74.1 | 165.1 | 179.6 | 171.6 | 0 | 108.4 | R206 S210 | R206-K208 PolarHBondContact O-N 3.3Å; K208-S210 PolarHBondContact O-N 2.9Å; K208-S210 VanDerWaalsContact O-N 3.13Å | ||
| 209 | R | 79.6 | Confident | 79.7 | Confident | 245 Ų | 245 | 129.8 Ų | 129.8 | 93% | 0.925 | 69% | 0.689 | S | S | * | * | trans | -65.1 | 114.5 | 179.9 | -163.1 | 165.1 | -171.6 | 156.6 | 0.8 | 108.6 | K207 | K207-R209 PolarHBondContact O-N 3.27Š| ||
| 210 | S | 83.8 | Confident | 81.7 | Confident | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139.5 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 110 | K208 A212 | K208-S210 PolarHBondContact O-N 2.9Å; K208-S210 VanDerWaalsContact O-N 3.13Å; S210-A212 PolarHBondContact O-N 2.96Å |
| 211 | R | 89.3 | Confident | 84 | Confident | 238 Ų | 238 | 125.2 Ų | 125.2 | 90% | 0.898 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 125.5 | 176 | -81.4 | 178.2 | 151 | 162.3 | -5 | 108.9 | ||
| 212 | A | 90 | Very high | 86 | Confident | 98 Ų | 98 | 121.1 Ų | 121.1 | 81% | 0.81 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 135.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S210 | S210-A212 PolarHBondContact O-N 2.96Š|
| 213 | A | 95.6 | Very high | 87.6 | Confident | 95 Ų | 95 | 120.5 Ų | 120.5 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 151.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 214 | F | 98 | Very high | 89.4 | Confident | 67 Ų | 67 | 120.8 Ų | 120.8 | 29% | 0.294 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 148 | 171.8 | -58.1 | -47.5 | 0 | 0 | 0 | 110.4 | Q218 V219 L246 Q250 W254 | F214-Q218 HydrophobicContact CB-CB 4.31Å; F214-V219 HydrophobicContact CB-CG2 3.95Å; F214-L246 HydrophobicContact CD1-CD1 4.21Å; F214-L246 HydrophobicContact CD1-CD2 3.8Å; F214-L246 HydrophobicContact CE1-CD1 4.23Å; F214-L246 HydrophobicContact CE1-CD2 3.78Å; F214-Q250 HydrophobicContact CE1-CB 4.24Å; F214-Q250 HydrophobicContact CE1-CG 4.26Å; F214-Q250 HydrophobicContact CZ-CB 3.99Å; F214-Q250 HydrophobicContact CZ-CG 4.19Å; F214-W254 AromaticContact CD2-CD1 3.74Å; F214-W254 HydrophobicContact CE2-CB 4.42Å; F214-W254 AromaticContact CE2-CD1 3.67Å; F214-W254 HydrophobicContact CE2-CG 4.42Å |
| 215 | S | 98.4 | Very high | 90.9 | Very high | 59 Ų | 59 | 118.9 Ų | 118.9 | 41% | 0.413 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 160.1 | 174.8 | 88.2 | 0 | 0 | 0 | 0 | 111.1 | A217 Q218 V219 | S215-A217 VanDerWaalsContact C-N 3.33Å; S215-A217 PolarHBondContact O-N 2.92Å; S215-A217 PolarHBondContact OG-N 3.43Å; S215-Q218 WeakPolarHBondContact O-CB 3.48Å; S215-Q218 PolarHBondContact O-N 3.47Å; S215-Q218 WeakPolarHBondContact OG-CG 3.48Å; S215-Q218 PolarHBondContact OG-N 3.48Å; S215-V219 WeakPolarHBondContact O-CG2 3.46Å; S215-V219 PolarHBondContact O-N 3.14Å |
| 216 | H | 98.4 | Very high | 92.5 | Very high | 159 Ų | 159 | 113.4 Ų | 113.4 | 74% | 0.736 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.1 | -43.5 | 177.7 | -171.4 | 70.8 | 0 | 0 | 0 | 112.2 | Q218 V219 F220 | H216-Q218 VanDerWaalsContact C-N 3.31Å; H216-Q218 PolarHBondContact O-N 3.04Å; H216-V219 PolarHBondContact O-N 2.95Å; H216-F220 PolarHBondContact O-N 3.07Å |
| 217 | A | 98.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 107.3 Ų | 107.3 | 56% | 0.562 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.5 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S215 F220 E221 | S215-A217 VanDerWaalsContact C-N 3.33Å; S215-A217 PolarHBondContact O-N 2.92Å; S215-A217 PolarHBondContact OG-N 3.43Å; A217-F220 PolarHBondContact O-N 3.5Å; A217-E221 PolarHBondContact O-N 3.13Å |
| 218 | Q | 98.6 | Very high | 95 | Very high | 38 Ų | 38 | 104.8 Ų | 104.8 | 18% | 0.178 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 174.9 | -72.3 | 173.3 | -30.4 | 0 | 0 | 111.4 | F214 S215 H216 F220 L222 L244 | F214-Q218 HydrophobicContact CB-CB 4.31Å; S215-Q218 WeakPolarHBondContact O-CB 3.48Å; S215-Q218 PolarHBondContact O-N 3.47Å; S215-Q218 WeakPolarHBondContact OG-CG 3.48Å; S215-Q218 PolarHBondContact OG-N 3.48Å; H216-Q218 VanDerWaalsContact C-N 3.31Å; H216-Q218 PolarHBondContact O-N 3.04Å; Q218-F220 VanDerWaalsContact C-N 3.32Å; Q218-F220 PolarHBondContact O-N 2.7Å; Q218-L222 WeakPolarHBondContact O-CB 3.4Å; Q218-L222 WeakPolarHBondContact O-CD1 3.4Å; Q218-L222 WeakPolarHBondContact O-CG 3.41Å; Q218-L222 PolarHBondContact O-N 3.5Å; Q218-L244 PolarHBondContact NE2-O 3.18Å |
| 219 | V | 98.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 98.6 Ų | 98.6 | 24% | 0.236 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 178.3 | 176.1 | 0 | 0 | 0 | 0 | 111 | F214 S215 H216 L222 E223 | F214-V219 HydrophobicContact CB-CG2 3.95Å; S215-V219 WeakPolarHBondContact O-CG2 3.46Å; S215-V219 PolarHBondContact O-N 3.14Å; H216-V219 PolarHBondContact O-N 2.95Å; V219-L222 PolarHBondContact O-N 2.99Å; V219-E223 HydrophobicContact CG1-CG 4.23Å; V219-E223 WeakPolarHBondContact O-CB 3.36Å; V219-E223 WeakPolarHBondContact O-CG 3.47Å; V219-E223 PolarHBondContact O-N 3.35Å |
| 220 | F | 98.6 | Very high | 96.7 | Very high | 118 Ų | 118 | 92 Ų | 92 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.3 | -51.2 | 178.8 | 175.5 | -96.6 | 0 | 0 | 0 | 112.2 | H216 A217 Q218 L222 E223 R224 | H216-F220 PolarHBondContact O-N 3.07Å; A217-F220 PolarHBondContact O-N 3.5Å; Q218-F220 VanDerWaalsContact C-N 3.32Å; Q218-F220 PolarHBondContact O-N 2.7Å; F220-L222 VanDerWaalsContact C-N 3.35Å; F220-L222 PolarHBondContact O-N 3.41Å; F220-E223 PolarHBondContact O-N 3.38Å; F220-R224 WeakPolarHBondContact O-CB 3.4Å; F220-R224 PolarHBondContact O-N 2.92Å |
| 221 | E | 98.6 | Very high | 97.4 | Very high | 51 Ų | 51 | 93.9 Ų | 93.9 | 24% | 0.238 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | 179.1 | -81.1 | -61.5 | 144 | 0 | 0 | 112.6 | A217 R224 R225 L244 | A217-E221 PolarHBondContact O-N 3.13Å; E221-R224 PolarHBondContact O-N 2.89Å; E221-R224 IonicContact OE1-NH1 3.79Å; E221-R224 PolarHBondContact OE1-NH1 3.25Å; E221-R224 VanDerWaalsContact OE1-NH1 3.08Å; E221-R224 IonicContact OE2-NH1 3.02Å; E221-R225 WeakPolarHBondContact O-CB 3.19Å; E221-R225 WeakPolarHBondContact O-CG 3.43Å; E221-R225 PolarHBondContact O-N 3.22Å; E221-L244 HydrophobicContact CB-CD1 4.25Å; E221-L244 HydrophobicContact CB-CD2 3.61Å; E221-L244 HydrophobicContact CG-CD2 4.11Å |
| 222 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 172 | -72.4 | 166.4 | 0 | 0 | 0 | 111.6 | Q218 V219 F220 F226 L240 L244 L246 V251 W254 F255 | Q218-L222 WeakPolarHBondContact O-CB 3.4Å; Q218-L222 WeakPolarHBondContact O-CD1 3.4Å; Q218-L222 WeakPolarHBondContact O-CG 3.41Å; Q218-L222 PolarHBondContact O-N 3.5Å; V219-L222 PolarHBondContact O-N 2.99Å; F220-L222 VanDerWaalsContact C-N 3.35Å; F220-L222 PolarHBondContact O-N 3.41Å; L222-F226 VanDerWaalsContact O-CB 3.26Å; L222-F226 WeakPolarHBondContact O-CB 3.44Å; L222-F226 PolarHBondContact O-N 3.16Å; L222-L240 HydrophobicContact CD2-CD2 4.03Å; L222-L244 HydrophobicContact CD2-CD1 3.82Å; L222-L244 HydrophobicContact CG-CD1 3.7Å; L222-L246 HydrophobicContact CD1-CD1 4.24Å; L222-V251 HydrophobicContact CD2-CG1 4.24Å; L222-V251 HydrophobicContact CD2-CG2 4.5Å; L222-W254 HydrophobicContact CB-CD2 3.98Å; L222-W254 HydrophobicContact CB-CE3 3.93Å; L222-W254 HydrophobicContact CB-CH2 3.67Å; L222-W254 HydrophobicContact CB-CZ2 3.69Å; L222-W254 HydrophobicContact CB-CZ3 3.78Å; L222-W254 HydrophobicContact CD1-CD2 3.88Å; L222-W254 HydrophobicContact CD1-CE3 4.5Å; L222-W254 HydrophobicContact CD1-CG 3.87Å; L222-W254 HydrophobicContact CD2-CD2 4.42Å; L222-W254 HydrophobicContact CD2-CE3 4.29Å; L222-W254 HydrophobicContact CG-CD2 4.32Å; L222-W254 HydrophobicContact CG-CE3 4.47Å; L222-F255 HydrophobicContact CD2-CE2 3.94Å |
| 223 | E | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 81.9 Ų | 81.9 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 176.6 | -72.9 | -166.4 | 151.1 | 0 | 0 | 112 | V219 F220 R225 F226 N227 W254 R258 | V219-E223 HydrophobicContact CG1-CG 4.23Å; V219-E223 WeakPolarHBondContact O-CB 3.36Å; V219-E223 WeakPolarHBondContact O-CG 3.47Å; V219-E223 PolarHBondContact O-N 3.35Å; F220-E223 PolarHBondContact O-N 3.38Å; E223-R225 PolarHBondContact O-N 2.9Å; E223-F226 PolarHBondContact O-N 3.48Å; E223-N227 PolarHBondContact O-N 3.16Å; E223-N227 PolarHBondContact O-ND2 3.18Å; E223-W254 HydrophobicContact CB-CH2 4.43Å; E223-W254 HydrophobicContact CG-CH2 3.7Å; E223-W254 HydrophobicContact CG-CZ2 3.74Å; E223-R258 IonicContact OE1-CZ 3.27Å; E223-R258 VanDerWaalsContact OE1-CZ 3.27Å; E223-R258 IonicContact OE1-NH1 2.7Å; E223-R258 PolarHBondContact OE1-NH1 3.35Å; E223-R258 IonicContact OE1-NH2 3.41Å; E223-R258 PolarHBondContact OE1-NH2 3.46Å |
| 224 | R | 98.6 | Very high | 98.4 | Very high | 132 Ų | 132 | 79 Ų | 79 | 50% | 0.498 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.3 | -53.9 | 174 | -176.6 | -176.3 | 179 | -169.6 | 1.5 | 110.2 | F220 E221 F226 N227 H228 | F220-R224 WeakPolarHBondContact O-CB 3.4Å; F220-R224 PolarHBondContact O-N 2.92Å; E221-R224 PolarHBondContact O-N 2.89Å; E221-R224 IonicContact OE1-NH1 3.79Å; E221-R224 PolarHBondContact OE1-NH1 3.25Å; E221-R224 VanDerWaalsContact OE1-NH1 3.08Å; E221-R224 IonicContact OE2-NH1 3.02Å; R224-F226 VanDerWaalsContact C-N 3.35Å; R224-F226 PolarHBondContact O-N 3.28Å; R224-N227 PolarHBondContact O-N 3.1Å; R224-H228 PolarHBondContact O-N 3.48Å; R224-H228 PolarHBondContact O-ND1 2.91Å |
| 225 | R | 98.4 | Very high | 98.4 | Very high | 143 Ų | 143 | 80 Ų | 80 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 178 | -72.2 | -69.8 | 180 | 173.3 | 0.8 | 112.4 | E221 E223 N227 H228 Q229 L240 F255 | E221-R225 WeakPolarHBondContact O-CB 3.19Å; E221-R225 WeakPolarHBondContact O-CG 3.43Å; E221-R225 PolarHBondContact O-N 3.22Å; E223-R225 PolarHBondContact O-N 2.9Å; R225-N227 VanDerWaalsContact C-N 3.3Å; R225-N227 PolarHBondContact O-N 3.4Å; R225-H228 PolarHBondContact O-N 3.27Å; R225-H228 VanDerWaalsContact O-N 3.16Å; R225-Q229 PolarHBondContact O-N 2.98Å; R225-L240 HydrophobicContact CB-CD2 4.09Å; R225-L240 HydrophobicContact CG-CD1 3.86Å; R225-L240 HydrophobicContact CG-CD2 4.09Å; R225-F255 HydrophobicContact CB-CZ 4.34Å |
| 226 | F | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 80.5 Ų | 80.5 | 1% | 0.013 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.8 | -36.6 | 178.1 | -178.2 | -96.4 | 0 | 0 | 0 | 113.7 | L222 E223 R224 H228 Q229 R230 W254 F255 R258 R259 | L222-F226 VanDerWaalsContact O-CB 3.26Å; L222-F226 WeakPolarHBondContact O-CB 3.44Å; L222-F226 PolarHBondContact O-N 3.16Å; E223-F226 PolarHBondContact O-N 3.48Å; R224-F226 VanDerWaalsContact C-N 3.35Å; R224-F226 PolarHBondContact O-N 3.28Å; F226-H228 VanDerWaalsContact C-N 3.28Å; F226-H228 PolarHBondContact O-N 3.12Å; F226-Q229 WeakPolarHBondContact CA-O 3.45Å; F226-Q229 CarbonylContact O-C 3.39Å; F226-Q229 PolarHBondContact O-N 2.82Å; F226-R230 HydrophobicContact CE1-CG 4.43Å; F226-R230 HydrophobicContact CE2-CB 3.99Å; F226-R230 HydrophobicContact CE2-CG 4.29Å; F226-R230 HydrophobicContact CZ-CB 4.22Å; F226-R230 HydrophobicContact CZ-CG 4.09Å; F226-W254 HydrophobicContact CB-CH2 4.37Å; F226-W254 HydrophobicContact CB-CZ3 4.06Å; F226-W254 HydrophobicContact CD2-CZ3 4.49Å; F226-W254 HydrophobicContact CG-CZ3 4.42Å; F226-F255 HydrophobicContact CB-CE1 4.19Å; F226-F255 HydrophobicContact CB-CZ 4.33Å; F226-F255 AromaticContact CD2-CD1 3.86Å; F226-F255 HydrophobicContact CD2-CD1 3.86Å; F226-F255 AromaticContact CD2-CE1 3.88Å; F226-F255 HydrophobicContact CD2-CE1 3.88Å; F226-R258 HydrophobicContact CD1-CG 3.68Å; F226-R258 HydrophobicContact CD2-CB 4.22Å; F226-R258 HydrophobicContact CD2-CG 3.69Å; F226-R258 HydrophobicContact CE1-CG 3.66Å; F226-R258 HydrophobicContact CE2-CB 4.11Å; F226-R258 HydrophobicContact CE2-CG 3.68Å; F226-R258 HydrophobicContact CG-CG 3.69Å; F226-R258 HydrophobicContact CZ-CB 4.42Å; F226-R258 HydrophobicContact CZ-CG 3.66Å; F226-R259 HydrophobicContact CE2-CG 3.75Å; F226-R259 HydrophobicContact CZ-CG 4.15Å |
| 227 | N | 98.3 | Very high | 98.4 | Very high | 115 Ų | 115 | 75.6 Ų | 75.6 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.4 | -31.8 | 178.5 | -68.6 | -18.9 | 0 | 0 | 0 | 112.1 | E223 R224 R225 | E223-N227 PolarHBondContact O-N 3.16Å; E223-N227 PolarHBondContact O-ND2 3.18Å; R224-N227 PolarHBondContact O-N 3.1Å; R225-N227 VanDerWaalsContact C-N 3.3Å; R225-N227 PolarHBondContact O-N 3.4Å |
| 228 | H | 98 | Very high | 98.4 | Very high | 151 Ų | 151 | 73.9 Ų | 73.9 | 70% | 0.699 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -78.7 | -43.1 | 174.2 | -63.4 | 81.9 | 0 | 0 | 0 | 111.3 | R224 R225 F226 | R224-H228 PolarHBondContact O-N 3.48Å; R224-H228 PolarHBondContact O-ND1 2.91Å; R225-H228 PolarHBondContact O-N 3.27Å; R225-H228 VanDerWaalsContact O-N 3.16Å; F226-H228 VanDerWaalsContact C-N 3.28Å; F226-H228 PolarHBondContact O-N 3.12Å |
| 229 | Q | 98.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 77.5 Ų | 77.5 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | trans | -144.6 | 114 | -173.4 | -174.8 | 177.3 | -4.5 | 0 | 0 | 110.7 | R225 F226 Y231 L232 E236 F255 | R225-Q229 PolarHBondContact O-N 2.98Å; F226-Q229 WeakPolarHBondContact CA-O 3.45Å; F226-Q229 CarbonylContact O-C 3.39Å; F226-Q229 PolarHBondContact O-N 2.82Å; Q229-Y231 VanDerWaalsContact C-N 3.29Å; Q229-Y231 WeakPolarHBondContact CG-O 3.48Å; Q229-Y231 PolarHBondContact NE2-O 2.77Å; Q229-Y231 PolarHBondContact O-N 2.95Å; Q229-L232 HydrophobicContact CB-CD2 4.41Å; Q229-L232 HydrophobicContact CG-CD2 4.16Å; Q229-E236 VanDerWaalsContact NE2-CD 3.33Å; Q229-E236 PolarHBondContact NE2-OE1 2.79Å; Q229-E236 VanDerWaalsContact NE2-OE1 3.07Å; Q229-E236 PolarHBondContact NE2-OE2 2.68Å; Q229-E236 PolarHBondContact OE1-OE1 2.8Å; Q229-F255 WeakPolarHBondContact O-CE1 3.48Å | ||
| 230 | R | 97.9 | Very high | 98.4 | Very high | 107 Ų | 107 | 76.1 Ų | 76.1 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -78.4 | -14.8 | -174.3 | -58.1 | 174 | 85 | 95.5 | -9.8 | 113.3 | F226 R259 | F226-R230 HydrophobicContact CE1-CG 4.43Å; F226-R230 HydrophobicContact CE2-CB 3.99Å; F226-R230 HydrophobicContact CE2-CG 4.29Å; F226-R230 HydrophobicContact CZ-CB 4.22Å; F226-R230 HydrophobicContact CZ-CG 4.09Å; R230-R259 WeakPolarHBondContact O-CD 3.38Å |
| 231 | Y | 98.3 | Very high | 98.4 | Very high | 152 Ų | 152 | 70.8 Ų | 70.8 | 60% | 0.596 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -137.3 | 118.1 | -176.1 | -63.7 | -107.1 | 0 | 0 | 0 | 109.3 | Q229 | Q229-Y231 VanDerWaalsContact C-N 3.29Å; Q229-Y231 WeakPolarHBondContact CG-O 3.48Å; Q229-Y231 PolarHBondContact NE2-O 2.77Å; Q229-Y231 PolarHBondContact O-N 2.95Å |
| 232 | L | 98.3 | Very high | 98.4 | Very high | 29 Ų | 29 | 72 Ų | 72 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | trans | -98.3 | 138.5 | 177.9 | -60.3 | 179.4 | 0 | 0 | 0 | 111.4 | Q229 E236 R237 L240 V251 F255 | Q229-L232 HydrophobicContact CB-CD2 4.41Å; Q229-L232 HydrophobicContact CG-CD2 4.16Å; L232-E236 HydrophobicContact CB-CB 4.42Å; L232-E236 HydrophobicContact CD2-CB 4.31Å; L232-R237 PolarHBondContact O-NH2 3.15Å; L232-L240 HydrophobicContact CD1-CD2 3.81Å; L232-V251 HydrophobicContact CD1-CG1 4.17Å; L232-F255 HydrophobicContact CD1-CD1 4.26Å; L232-F255 HydrophobicContact CD1-CD2 4.13Å; L232-F255 HydrophobicContact CD1-CE1 3.74Å; L232-F255 HydrophobicContact CD1-CE2 3.59Å; L232-F255 HydrophobicContact CD1-CG 4.45Å; L232-F255 HydrophobicContact CD1-CZ 3.38Å; L232-F255 HydrophobicContact CD2-CE1 4.24Å; L232-F255 HydrophobicContact CD2-CZ 4.38Å; L232-F255 HydrophobicContact CG-CD1 4.07Å; L232-F255 HydrophobicContact CG-CE1 3.62Å; L232-F255 HydrophobicContact CG-CE2 4.39Å; L232-F255 HydrophobicContact CG-CZ 3.81Å | ||
| 233 | S | 98.4 | Very high | 98.4 | Very high | 54 Ų | 54 | 75.9 Ų | 75.9 | 38% | 0.378 | 39% | 0.39 | S | S | . | . | trans | -67.8 | 174.5 | 166.2 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | E236 R237 | S233-E236 VanDerWaalsContact CB-OE2 3.3Å; S233-E236 WeakPolarHBondContact CB-OE2 3.17Å; S233-E236 PolarHBondContact N-OE2 3.4Å; S233-E236 WeakPolarHBondContact OG-CG 3.48Å; S233-E236 PolarHBondContact OG-OE2 3.27Å; S233-R237 WeakPolarHBondContact O-CB 3.47Å; S233-R237 PolarHBondContact O-N 3.41Å | ||
| 234 | G | 98.3 | Very high | 98.4 | Very high | 35 Ų | 35 | 73.8 Ų | 73.8 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.6 | -56.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | E236 R237 A238 | G234-E236 PolarHBondContact O-N 3.48Å; G234-R237 WeakPolarHBondContact O-CB 3.48Å; G234-R237 PolarHBondContact O-N 3.28Å; G234-A238 PolarHBondContact O-N 3.07Å; G234-A238 VanDerWaalsContact O-N 3.14Å |
| 235 | P | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 76.6 Ų | 76.6 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.5 | -48.3 | -178.9 | -25.7 | 35.4 | 0 | 0 | 0 | 113.4 | R237 A238 D239 | P235-R237 PolarHBondContact O-N 2.98Å; P235-R237 VanDerWaalsContact O-N 3.12Å; P235-A238 WeakPolarHBondContact O-CA 3.22Å; P235-A238 WeakPolarHBondContact O-CB 3.35Å; P235-A238 PolarHBondContact O-N 3.5Å; P235-D239 PolarHBondContact O-N 3.43Å |
| 236 | E | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 70.9 Ų | 70.9 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.9 | -32.3 | 178.9 | -66.1 | 164.8 | 148.9 | 0 | 0 | 112.4 | Q229 L232 S233 G234 L240 | Q229-E236 VanDerWaalsContact NE2-CD 3.33Å; Q229-E236 PolarHBondContact NE2-OE1 2.79Å; Q229-E236 VanDerWaalsContact NE2-OE1 3.07Å; Q229-E236 PolarHBondContact NE2-OE2 2.68Å; Q229-E236 PolarHBondContact OE1-OE1 2.8Å; L232-E236 HydrophobicContact CB-CB 4.42Å; L232-E236 HydrophobicContact CD2-CB 4.31Å; S233-E236 VanDerWaalsContact CB-OE2 3.3Å; S233-E236 WeakPolarHBondContact CB-OE2 3.17Å; S233-E236 PolarHBondContact N-OE2 3.4Å; S233-E236 WeakPolarHBondContact OG-CG 3.48Å; S233-E236 PolarHBondContact OG-OE2 3.27Å; G234-E236 PolarHBondContact O-N 3.48Å; E236-L240 WeakPolarHBondContact O-CB 3.37Å; E236-L240 PolarHBondContact O-N 3.13Å; E236-L240 VanDerWaalsContact O-N 3.13Å |
| 237 | R | 98.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 74.3 Ų | 74.3 | 21% | 0.208 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.8 | -39.7 | 176.1 | -166 | -172 | -49.5 | 130 | 8.1 | 111.6 | L232 S233 G234 P235 D239 L240 A241 E248 V251 | L232-R237 PolarHBondContact O-NH2 3.15Å; S233-R237 WeakPolarHBondContact O-CB 3.47Å; S233-R237 PolarHBondContact O-N 3.41Å; G234-R237 WeakPolarHBondContact O-CB 3.48Å; G234-R237 PolarHBondContact O-N 3.28Å; P235-R237 PolarHBondContact O-N 2.98Å; P235-R237 VanDerWaalsContact O-N 3.12Å; R237-D239 VanDerWaalsContact C-N 3.34Å; R237-L240 PolarHBondContact O-N 2.91Å; R237-A241 WeakPolarHBondContact O-CB 3.2Å; R237-A241 PolarHBondContact O-N 2.87Å; R237-E248 WeakPolarHBondContact CD-O 3.4Å; R237-E248 HydrophobicContact CG-CB 4.37Å; R237-V251 HydrophobicContact CG-CB 3.85Å; R237-V251 HydrophobicContact CG-CG1 3.73Å |
| 238 | A | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 73.3 Ų | 73.3 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | G234 P235 L240 A241 A242 E248 | G234-A238 PolarHBondContact O-N 3.07Å; G234-A238 VanDerWaalsContact O-N 3.14Å; P235-A238 WeakPolarHBondContact O-CA 3.22Å; P235-A238 WeakPolarHBondContact O-CB 3.35Å; P235-A238 PolarHBondContact O-N 3.5Å; A238-L240 PolarHBondContact O-N 3.24Å; A238-A241 WeakPolarHBondContact O-CB 3.46Å; A238-A241 PolarHBondContact O-N 3.43Å; A238-A242 WeakPolarHBondContact O-CB 3.42Å; A238-A242 PolarHBondContact O-N 3.41Å; A238-E248 HydrophobicContact CB-CG 4.28Å |
| 239 | D | 98.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 70.3 Ų | 70.3 | 61% | 0.61 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 178.1 | -61.8 | -23.4 | 0 | 0 | 0 | 112.2 | P235 R237 A242 S243 | P235-D239 PolarHBondContact O-N 3.43Å; R237-D239 VanDerWaalsContact C-N 3.34Å; D239-A242 PolarHBondContact O-N 2.9Å; D239-S243 PolarHBondContact O-N 3.32Å; D239-S243 VanDerWaalsContact O-N 3.09Å; D239-S243 PolarHBondContact O-OG 3.41Å |
| 240 | L | 98.4 | Very high | 98.4 | Very high | 10 Ų | 10 | 70.1 Ų | 70.1 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.3 | -36.8 | 177.7 | -170.9 | 58 | 0 | 0 | 0 | 112 | L222 R225 L232 E236 R237 A238 S243 L244 V251 F255 | L222-L240 HydrophobicContact CD2-CD2 4.03Å; R225-L240 HydrophobicContact CB-CD2 4.09Å; R225-L240 HydrophobicContact CG-CD1 3.86Å; R225-L240 HydrophobicContact CG-CD2 4.09Å; L232-L240 HydrophobicContact CD1-CD2 3.81Å; E236-L240 WeakPolarHBondContact O-CB 3.37Å; E236-L240 PolarHBondContact O-N 3.13Å; E236-L240 VanDerWaalsContact O-N 3.13Å; R237-L240 PolarHBondContact O-N 2.91Å; A238-L240 PolarHBondContact O-N 3.24Å; L240-S243 WeakPolarHBondContact CA-OG 3.26Å; L240-S243 PolarHBondContact O-OG 3.32Å; L240-L244 HydrophobicContact CD1-CD1 3.76Å; L240-L244 HydrophobicContact CD1-CG 4.07Å; L240-L244 HydrophobicContact CG-CD1 3.98Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 WeakPolarHBondContact O-CG 3.48Å; L240-L244 PolarHBondContact O-N 3.06Å; L240-L244 VanDerWaalsContact O-N 3.12Å; L240-V251 HydrophobicContact CD2-CG1 4.07Å; L240-F255 HydrophobicContact CD2-CE2 3.95Å; L240-F255 HydrophobicContact CD2-CZ 4.21Å |
| 241 | A | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R237 A238 L244 K245 L246 E248 V251 | R237-A241 WeakPolarHBondContact O-CB 3.2Å; R237-A241 PolarHBondContact O-N 2.87Å; A238-A241 WeakPolarHBondContact O-CB 3.46Å; A238-A241 PolarHBondContact O-N 3.43Å; A241-L244 PolarHBondContact O-N 2.91Å; A241-K245 PolarHBondContact O-N 3.38Å; A241-L246 CarbonylContact C-O 3.5Å; A241-L246 WeakPolarHBondContact CB-O 3.34Å; A241-L246 PolarHBondContact O-N 3.01Å; A241-E248 HydrophobicContact CB-CG 4.13Å; A241-V251 HydrophobicContact CB-CG2 4.06Å |
| 242 | A | 98.5 | Very high | 98.4 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61 | -48 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A238 D239 L244 K245 | A238-A242 WeakPolarHBondContact O-CB 3.42Å; A238-A242 PolarHBondContact O-N 3.41Å; D239-A242 PolarHBondContact O-N 2.9Å; A242-L244 PolarHBondContact O-N 3.05Å; A242-K245 PolarHBondContact O-N 2.94Å |
| 243 | S | 98.1 | Very high | 98.4 | Very high | 81 Ų | 81 | 65.7 Ų | 65.7 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.3 | -37 | 180 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | D239 L240 | D239-S243 PolarHBondContact O-N 3.32Å; D239-S243 VanDerWaalsContact O-N 3.09Å; D239-S243 PolarHBondContact O-OG 3.41Å; L240-S243 WeakPolarHBondContact CA-OG 3.26Å; L240-S243 PolarHBondContact O-OG 3.32Å |
| 244 | L | 97.9 | Very high | 98.4 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -91.7 | -0.8 | -178.4 | -59.5 | -177.9 | 0 | 0 | 0 | 114.3 | Q218 E221 L222 L240 A241 A242 L246 | Q218-L244 PolarHBondContact NE2-O 3.18Å; E221-L244 HydrophobicContact CB-CD1 4.25Å; E221-L244 HydrophobicContact CB-CD2 3.61Å; E221-L244 HydrophobicContact CG-CD2 4.11Å; L222-L244 HydrophobicContact CD2-CD1 3.82Å; L222-L244 HydrophobicContact CG-CD1 3.7Å; L240-L244 HydrophobicContact CD1-CD1 3.76Å; L240-L244 HydrophobicContact CD1-CG 4.07Å; L240-L244 HydrophobicContact CG-CD1 3.98Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 WeakPolarHBondContact O-CG 3.48Å; L240-L244 PolarHBondContact O-N 3.06Å; L240-L244 VanDerWaalsContact O-N 3.12Å; A241-L244 PolarHBondContact O-N 2.91Å; A242-L244 PolarHBondContact O-N 3.05Å; L244-L246 VanDerWaalsContact C-N 3.25Å; L244-L246 HydrophobicContact CB-CD1 4.17Å; L244-L246 HydrophobicContact CB-CG 4.14Å; L244-L246 PolarHBondContact O-N 3.38Å |
| 245 | K | 98.4 | Very high | 98.4 | Very high | 191 Ų | 191 | 63.4 Ų | 63.4 | 83% | 0.83 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 42.9 | -174.2 | -55.6 | 175.7 | -177.9 | 172.2 | 0 | 111.9 | A241 A242 | A241-K245 PolarHBondContact O-N 3.38Å; A242-K245 PolarHBondContact O-N 2.94Å |
| 246 | L | 98 | Very high | 98.4 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.12 | 34% | 0.339 | C | S | . | . | trans | -114.9 | 166.6 | 175.3 | -65.1 | 179.4 | 0 | 0 | 0 | 109.7 | F214 L222 A241 L244 Q250 V251 | F214-L246 HydrophobicContact CD1-CD1 4.21Å; F214-L246 HydrophobicContact CD1-CD2 3.8Å; F214-L246 HydrophobicContact CE1-CD1 4.23Å; F214-L246 HydrophobicContact CE1-CD2 3.78Å; L222-L246 HydrophobicContact CD1-CD1 4.24Å; A241-L246 CarbonylContact C-O 3.5Å; A241-L246 WeakPolarHBondContact CB-O 3.34Å; A241-L246 PolarHBondContact O-N 3.01Å; L244-L246 VanDerWaalsContact C-N 3.25Å; L244-L246 HydrophobicContact CB-CD1 4.17Å; L244-L246 HydrophobicContact CB-CG 4.14Å; L244-L246 PolarHBondContact O-N 3.38Å; L246-Q250 HydrophobicContact CB-CB 4.49Å; L246-V251 HydrophobicContact CB-CG2 4.28Å | ||
| 247 | T | 98.5 | Very high | 98.4 | Very high | 76 Ų | 76 | 65.4 Ų | 65.4 | 47% | 0.466 | 35% | 0.347 | S | S | . | . | trans | -83.5 | 149.7 | 169.8 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | T249 Q250 V251 | T247-T249 PolarHBondContact O-N 3.44Å; T247-T249 VanDerWaalsContact O-N 3.16Å; T247-Q250 WeakPolarHBondContact O-CB 3.36Å; T247-Q250 PolarHBondContact O-N 3.03Å; T247-Q250 WeakPolarHBondContact OG1-CB 3.33Å; T247-Q250 VanDerWaalsContact OG1-CD 3.28Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.3Å; T247-Q250 PolarHBondContact OG1-N 3.34Å; T247-Q250 PolarHBondContact OG1-OE1 3.08Å; T247-V251 PolarHBondContact O-N 3.46Å; T247-V251 VanDerWaalsContact O-N 3.1Å | ||
| 248 | E | 98.5 | Very high | 98.4 | Very high | 93 Ų | 93 | 64.8 Ų | 64.8 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -51.7 | -39.7 | 172.9 | -74.7 | -177.7 | -130.4 | 0 | 0 | 112 | R237 A238 A241 Q250 V251 K252 | R237-E248 WeakPolarHBondContact CD-O 3.4Å; R237-E248 HydrophobicContact CG-CB 4.37Å; A238-E248 HydrophobicContact CB-CG 4.28Å; A241-E248 HydrophobicContact CB-CG 4.13Å; E248-Q250 PolarHBondContact O-N 3.18Å; E248-V251 PolarHBondContact O-N 3.5Å; E248-K252 WeakPolarHBondContact O-CB 3.13Å; E248-K252 PolarHBondContact O-N 3.17Å |
| 249 | T | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 55% | 0.546 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | T247 K252 I253 | T247-T249 PolarHBondContact O-N 3.44Å; T247-T249 VanDerWaalsContact O-N 3.16Å; T249-K252 WeakPolarHBondContact O-CB 3.19Å; T249-K252 PolarHBondContact O-N 2.89Å; T249-I253 HydrophobicContact CG2-CD1 3.84Å; T249-I253 HydrophobicContact CG2-CG1 4.41Å; T249-I253 WeakPolarHBondContact O-CB 3.32Å; T249-I253 VanDerWaalsContact O-CG1 3.28Å; T249-I253 WeakPolarHBondContact O-CG1 3.5Å; T249-I253 PolarHBondContact O-N 3.36Å |
| 250 | Q | 98.3 | Very high | 98.4 | Very high | 69 Ų | 69 | 68 Ų | 68 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.3 | -77.5 | 165.4 | -42.3 | 0 | 0 | 111.4 | F214 L246 T247 E248 I253 W254 | F214-Q250 HydrophobicContact CE1-CB 4.24Å; F214-Q250 HydrophobicContact CE1-CG 4.26Å; F214-Q250 HydrophobicContact CZ-CB 3.99Å; F214-Q250 HydrophobicContact CZ-CG 4.19Å; L246-Q250 HydrophobicContact CB-CB 4.49Å; T247-Q250 WeakPolarHBondContact O-CB 3.36Å; T247-Q250 PolarHBondContact O-N 3.03Å; T247-Q250 WeakPolarHBondContact OG1-CB 3.33Å; T247-Q250 VanDerWaalsContact OG1-CD 3.28Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.3Å; T247-Q250 PolarHBondContact OG1-N 3.34Å; T247-Q250 PolarHBondContact OG1-OE1 3.08Å; E248-Q250 PolarHBondContact O-N 3.18Å; Q250-I253 PolarHBondContact O-N 2.89Å; Q250-W254 WeakPolarHBondContact O-CB 3.47Å; Q250-W254 PolarHBondContact O-N 3.02Å |
| 251 | V | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | L222 L232 R237 L240 A241 L246 T247 E248 I253 W254 F255 | L222-V251 HydrophobicContact CD2-CG1 4.24Å; L222-V251 HydrophobicContact CD2-CG2 4.5Å; L232-V251 HydrophobicContact CD1-CG1 4.17Å; R237-V251 HydrophobicContact CG-CB 3.85Å; R237-V251 HydrophobicContact CG-CG1 3.73Å; L240-V251 HydrophobicContact CD2-CG1 4.07Å; A241-V251 HydrophobicContact CB-CG2 4.06Å; L246-V251 HydrophobicContact CB-CG2 4.28Å; T247-V251 PolarHBondContact O-N 3.46Å; T247-V251 VanDerWaalsContact O-N 3.1Å; E248-V251 PolarHBondContact O-N 3.5Å; V251-I253 PolarHBondContact O-N 3.38Å; V251-W254 PolarHBondContact O-N 3.36Å; V251-F255 HydrophobicContact CG1-CD2 3.78Å; V251-F255 HydrophobicContact CG1-CE2 3.87Å; V251-F255 WeakPolarHBondContact O-CD2 3.28Å; V251-F255 PolarHBondContact O-N 2.86Å |
| 252 | K | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 74 Ų | 74 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56 | -50.2 | 176.5 | -179.3 | -179.6 | 176.2 | -179.7 | 0 | 111.9 | E248 T249 F255 Q256 | E248-K252 WeakPolarHBondContact O-CB 3.13Å; E248-K252 PolarHBondContact O-N 3.17Å; T249-K252 WeakPolarHBondContact O-CB 3.19Å; T249-K252 PolarHBondContact O-N 2.89Å; K252-F255 PolarHBondContact O-N 2.83Å; K252-Q256 WeakPolarHBondContact O-CB 3.32Å; K252-Q256 PolarHBondContact O-N 2.97Å |
| 253 | I | 98.4 | Very high | 98.2 | Very high | 83 Ų | 83 | 76.1 Ų | 76.1 | 43% | 0.426 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 179.5 | -69.7 | 169.1 | 0 | 0 | 0 | 110.3 | T249 Q250 V251 F255 Q256 N257 | T249-I253 HydrophobicContact CG2-CD1 3.84Å; T249-I253 HydrophobicContact CG2-CG1 4.41Å; T249-I253 WeakPolarHBondContact O-CB 3.32Å; T249-I253 VanDerWaalsContact O-CG1 3.28Å; T249-I253 WeakPolarHBondContact O-CG1 3.5Å; T249-I253 PolarHBondContact O-N 3.36Å; Q250-I253 PolarHBondContact O-N 2.89Å; V251-I253 PolarHBondContact O-N 3.38Å; I253-F255 PolarHBondContact O-N 3.19Å; I253-Q256 PolarHBondContact O-N 3.09Å; I253-N257 WeakPolarHBondContact CG2-ND2 3.33Å; I253-N257 WeakPolarHBondContact O-CB 3.39Å; I253-N257 VanDerWaalsContact O-CG 3.31Å; I253-N257 PolarHBondContact O-N 3.43Å; I253-N257 PolarHBondContact O-ND2 3.27Å |
| 254 | W | 98.5 | Very high | 98.2 | Very high | 33 Ų | 33 | 79.4 Ų | 79.4 | 13% | 0.125 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 178.6 | -170.2 | 101 | 0 | 0 | 0 | 111.3 | F214 L222 E223 F226 Q250 V251 Q256 N257 R258 | F214-W254 AromaticContact CD2-CD1 3.74Å; F214-W254 HydrophobicContact CE2-CB 4.42Å; F214-W254 AromaticContact CE2-CD1 3.67Å; F214-W254 HydrophobicContact CE2-CG 4.42Å; L222-W254 HydrophobicContact CB-CD2 3.98Å; L222-W254 HydrophobicContact CB-CE3 3.93Å; L222-W254 HydrophobicContact CB-CH2 3.67Å; L222-W254 HydrophobicContact CB-CZ2 3.69Å; L222-W254 HydrophobicContact CB-CZ3 3.78Å; L222-W254 HydrophobicContact CD1-CD2 3.88Å; L222-W254 HydrophobicContact CD1-CE3 4.5Å; L222-W254 HydrophobicContact CD1-CG 3.87Å; L222-W254 HydrophobicContact CD2-CD2 4.42Å; L222-W254 HydrophobicContact CD2-CE3 4.29Å; L222-W254 HydrophobicContact CG-CD2 4.32Å; L222-W254 HydrophobicContact CG-CE3 4.47Å; E223-W254 HydrophobicContact CB-CH2 4.43Å; E223-W254 HydrophobicContact CG-CH2 3.7Å; E223-W254 HydrophobicContact CG-CZ2 3.74Å; F226-W254 HydrophobicContact CB-CH2 4.37Å; F226-W254 HydrophobicContact CB-CZ3 4.06Å; F226-W254 HydrophobicContact CD2-CZ3 4.49Å; F226-W254 HydrophobicContact CG-CZ3 4.42Å; Q250-W254 WeakPolarHBondContact O-CB 3.47Å; Q250-W254 PolarHBondContact O-N 3.02Å; V251-W254 PolarHBondContact O-N 3.36Å; W254-Q256 VanDerWaalsContact C-N 3.32Å; W254-Q256 PolarHBondContact O-N 2.97Å; W254-N257 PolarHBondContact O-N 2.8Å; W254-R258 HydrophobicContact CE3-CB 4.02Å; W254-R258 HydrophobicContact CH2-CB 4.13Å; W254-R258 HydrophobicContact CH2-CG 3.83Å; W254-R258 HydrophobicContact CZ3-CB 3.76Å; W254-R258 HydrophobicContact CZ3-CG 3.8Å; W254-R258 VanDerWaalsContact O-CB 3.32Å; W254-R258 WeakPolarHBondContact O-CB 3.43Å; W254-R258 PolarHBondContact O-N 2.87Å |
| 255 | F | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 84.6 Ų | 84.6 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64 | -35.7 | 177.1 | -90.9 | -105.2 | 0 | 0 | 0 | 112.5 | L222 R225 F226 Q229 L232 L240 V251 K252 I253 R259 | L222-F255 HydrophobicContact CD2-CE2 3.94Å; R225-F255 HydrophobicContact CB-CZ 4.34Å; F226-F255 HydrophobicContact CB-CE1 4.19Å; F226-F255 HydrophobicContact CB-CZ 4.33Å; F226-F255 AromaticContact CD2-CD1 3.86Å; F226-F255 HydrophobicContact CD2-CD1 3.86Å; F226-F255 AromaticContact CD2-CE1 3.88Å; F226-F255 HydrophobicContact CD2-CE1 3.88Å; Q229-F255 WeakPolarHBondContact O-CE1 3.48Å; L232-F255 HydrophobicContact CD1-CD1 4.26Å; L232-F255 HydrophobicContact CD1-CD2 4.13Å; L232-F255 HydrophobicContact CD1-CE1 3.74Å; L232-F255 HydrophobicContact CD1-CE2 3.59Å; L232-F255 HydrophobicContact CD1-CG 4.45Å; L232-F255 HydrophobicContact CD1-CZ 3.38Å; L232-F255 HydrophobicContact CD2-CE1 4.24Å; L232-F255 HydrophobicContact CD2-CZ 4.38Å; L232-F255 HydrophobicContact CG-CD1 4.07Å; L232-F255 HydrophobicContact CG-CE1 3.62Å; L232-F255 HydrophobicContact CG-CE2 4.39Å; L232-F255 HydrophobicContact CG-CZ 3.81Å; L240-F255 HydrophobicContact CD2-CE2 3.95Å; L240-F255 HydrophobicContact CD2-CZ 4.21Å; V251-F255 HydrophobicContact CG1-CD2 3.78Å; V251-F255 HydrophobicContact CG1-CE2 3.87Å; V251-F255 WeakPolarHBondContact O-CD2 3.28Å; V251-F255 PolarHBondContact O-N 2.86Å; K252-F255 PolarHBondContact O-N 2.83Å; I253-F255 PolarHBondContact O-N 3.19Å; F255-R259 WeakPolarHBondContact O-CG 3.45Å; F255-R259 PolarHBondContact O-N 3.47Å; F255-R259 PolarHBondContact O-NE 3.04Å; F255-R259 VanDerWaalsContact O-NE 3.15Å |
| 256 | Q | 98.6 | Very high | 97.7 | Very high | 110 Ų | 110 | 80.4 Ų | 80.4 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 173.8 | -169.3 | 167.8 | 27.2 | 0 | 0 | 111.6 | K252 I253 W254 R258 R259 Y260 | K252-Q256 WeakPolarHBondContact O-CB 3.32Å; K252-Q256 PolarHBondContact O-N 2.97Å; I253-Q256 PolarHBondContact O-N 3.09Å; W254-Q256 VanDerWaalsContact C-N 3.32Å; W254-Q256 PolarHBondContact O-N 2.97Å; Q256-R258 VanDerWaalsContact C-N 3.3Å; Q256-R258 PolarHBondContact O-N 3.45Å; Q256-R259 PolarHBondContact O-N 3.01Å; Q256-Y260 PolarHBondContact O-N 3.27Å |
| 257 | N | 98.3 | Very high | 97.5 | Very high | 90 Ų | 90 | 84.1 Ų | 84.1 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 176.5 | -73.4 | -23.5 | 0 | 0 | 0 | 111.8 | I253 W254 Y260 K261 | I253-N257 WeakPolarHBondContact CG2-ND2 3.33Å; I253-N257 WeakPolarHBondContact O-CB 3.39Å; I253-N257 VanDerWaalsContact O-CG 3.31Å; I253-N257 PolarHBondContact O-N 3.43Å; I253-N257 PolarHBondContact O-ND2 3.27Å; W254-N257 PolarHBondContact O-N 2.8Å; N257-Y260 PolarHBondContact O-N 2.98Å; N257-K261 WeakPolarHBondContact O-CB 3.47Å; N257-K261 WeakPolarHBondContact O-CG 3.41Å; N257-K261 PolarHBondContact O-N 3.41Å |
| 258 | R | 98.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 83.1 Ų | 83.1 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 179.1 | -174 | 63.6 | -175.2 | -165.3 | -4.9 | 111.8 | E223 F226 W254 Q256 K261 T262 | E223-R258 IonicContact OE1-CZ 3.27Å; E223-R258 VanDerWaalsContact OE1-CZ 3.27Å; E223-R258 IonicContact OE1-NH1 2.7Å; E223-R258 PolarHBondContact OE1-NH1 3.35Å; E223-R258 IonicContact OE1-NH2 3.41Å; E223-R258 PolarHBondContact OE1-NH2 3.46Å; F226-R258 HydrophobicContact CD1-CG 3.68Å; F226-R258 HydrophobicContact CD2-CB 4.22Å; F226-R258 HydrophobicContact CD2-CG 3.69Å; F226-R258 HydrophobicContact CE1-CG 3.66Å; F226-R258 HydrophobicContact CE2-CB 4.11Å; F226-R258 HydrophobicContact CE2-CG 3.68Å; F226-R258 HydrophobicContact CG-CG 3.69Å; F226-R258 HydrophobicContact CZ-CB 4.42Å; F226-R258 HydrophobicContact CZ-CG 3.66Å; W254-R258 HydrophobicContact CE3-CB 4.02Å; W254-R258 HydrophobicContact CH2-CB 4.13Å; W254-R258 HydrophobicContact CH2-CG 3.83Å; W254-R258 HydrophobicContact CZ3-CB 3.76Å; W254-R258 HydrophobicContact CZ3-CG 3.8Å; W254-R258 VanDerWaalsContact O-CB 3.32Å; W254-R258 WeakPolarHBondContact O-CB 3.43Å; W254-R258 PolarHBondContact O-N 2.87Å; Q256-R258 VanDerWaalsContact C-N 3.3Å; Q256-R258 PolarHBondContact O-N 3.45Å; R258-K261 PolarHBondContact O-N 2.91Å; R258-T262 PolarHBondContact O-N 3.28Å; R258-T262 PolarHBondContact O-OG1 2.84Å |
| 259 | R | 98.5 | Very high | 96.8 | Very high | 74 Ų | 74 | 81.3 Ų | 81.3 | 28% | 0.279 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 173.9 | -73.2 | 178.1 | -71.9 | 163.3 | 0.6 | 111.4 | F226 R230 F255 Q256 K261 T262 K263 | F226-R259 HydrophobicContact CE2-CG 3.75Å; F226-R259 HydrophobicContact CZ-CG 4.15Å; R230-R259 WeakPolarHBondContact O-CD 3.38Å; F255-R259 WeakPolarHBondContact O-CG 3.45Å; F255-R259 PolarHBondContact O-N 3.47Å; F255-R259 PolarHBondContact O-NE 3.04Å; F255-R259 VanDerWaalsContact O-NE 3.15Å; Q256-R259 PolarHBondContact O-N 3.01Å; R259-K261 PolarHBondContact O-N 3.45Å; R259-T262 PolarHBondContact O-N 3.38Å; R259-K263 PolarHBondContact O-N 3.38Å |
| 260 | Y | 98.3 | Very high | 96.4 | Very high | 141 Ų | 141 | 82.1 Ų | 82.1 | 55% | 0.553 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 179.6 | -168.7 | -96.8 | 0 | 0 | 0 | 112.4 | Q256 N257 T262 K263 R264 | Q256-Y260 PolarHBondContact O-N 3.27Å; N257-Y260 PolarHBondContact O-N 2.98Å; Y260-T262 VanDerWaalsContact C-N 3.26Å; Y260-T262 PolarHBondContact O-N 3.22Å; Y260-K263 PolarHBondContact O-N 3.06Å; Y260-R264 WeakPolarHBondContact O-CB 3.5Å; Y260-R264 PolarHBondContact O-N 3.05Å |
| 261 | K | 97.6 | Very high | 95.9 | Very high | 122 Ų | 122 | 85 Ų | 85 | 53% | 0.53 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | 175.3 | -74.1 | -178.7 | 80.6 | 175.6 | 0 | 112.4 | N257 R258 R259 R265 | N257-K261 WeakPolarHBondContact O-CB 3.47Å; N257-K261 WeakPolarHBondContact O-CG 3.41Å; N257-K261 PolarHBondContact O-N 3.41Å; R258-K261 PolarHBondContact O-N 2.91Å; R259-K261 PolarHBondContact O-N 3.45Å; K261-R265 WeakPolarHBondContact O-CB 3.41Å; K261-R265 WeakPolarHBondContact O-CG 3.34Å; K261-R265 PolarHBondContact O-N 3.3Å; K261-R265 VanDerWaalsContact O-N 3.08Å; K261-R265 PolarHBondContact O-NE 3.45Å |
| 262 | T | 97.2 | Very high | 95.3 | Very high | 19 Ų | 19 | 91.7 Ų | 91.7 | 12% | 0.117 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -72.2 | -46.1 | 179.5 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | R258 R259 Y260 R264 R265 Q266 | R258-T262 PolarHBondContact O-N 3.28Å; R258-T262 PolarHBondContact O-OG1 2.84Å; R259-T262 PolarHBondContact O-N 3.38Å; Y260-T262 VanDerWaalsContact C-N 3.26Å; Y260-T262 PolarHBondContact O-N 3.22Å; T262-R264 VanDerWaalsContact C-N 3.34Å; T262-R264 PolarHBondContact O-N 3.06Å; T262-R265 PolarHBondContact O-N 3.5Å; T262-Q266 WeakPolarHBondContact O-CG 3.43Å; T262-Q266 PolarHBondContact O-N 3.06Å |
| 263 | K | 97 | Very high | 94.5 | Very high | 122 Ų | 122 | 90.4 Ų | 90.4 | 53% | 0.53 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 174.5 | -175 | 177.4 | 179.7 | 177.6 | 0 | 111.6 | R259 Y260 R265 Q266 M267 | R259-K263 PolarHBondContact O-N 3.38Å; Y260-K263 PolarHBondContact O-N 3.06Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 3.2Å; K263-Q266 PolarHBondContact O-N 3.07Å; K263-M267 HydrophobicContact CD-CE 4.29Å; K263-M267 HydrophobicContact CG-CE 4.12Å; K263-M267 HydrophobicContact CG-SD 4.12Å; K263-M267 WeakPolarHBondContact O-CG 3.45Å; K263-M267 PolarHBondContact O-N 2.96Å |
| 264 | R | 96.4 | Very high | 93.4 | Very high | 149 Ų | 149 | 91.1 Ų | 91.1 | 56% | 0.562 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.7 | -40.3 | 176.6 | -178.2 | -177.2 | -89.9 | 154.3 | -8 | 112 | Y260 T262 A268 | Y260-R264 WeakPolarHBondContact O-CB 3.5Å; Y260-R264 PolarHBondContact O-N 3.05Å; T262-R264 VanDerWaalsContact C-N 3.34Å; T262-R264 PolarHBondContact O-N 3.06Å; R264-A268 WeakPolarHBondContact O-CB 3.43Å; R264-A268 PolarHBondContact O-N 2.97Å |
| 265 | R | 94.6 | Very high | 92.1 | Very high | 131 Ų | 131 | 92 Ų | 92 | 49% | 0.494 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 177 | -85.1 | -176.6 | -95.2 | 161.5 | -11.7 | 112.5 | K261 T262 K263 A268 A269 | K261-R265 WeakPolarHBondContact O-CB 3.41Å; K261-R265 WeakPolarHBondContact O-CG 3.34Å; K261-R265 PolarHBondContact O-N 3.3Å; K261-R265 VanDerWaalsContact O-N 3.08Å; K261-R265 PolarHBondContact O-NE 3.45Å; T262-R265 PolarHBondContact O-N 3.5Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 3.2Å; R265-A268 PolarHBondContact O-N 3.01Å; R265-A269 WeakPolarHBondContact O-CB 3.38Å; R265-A269 PolarHBondContact O-N 3.21Å |
| 266 | Q | 93.1 | Very high | 90.6 | Very high | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -51.3 | 175.1 | -70.7 | 168 | -18.1 | 0 | 0 | 110.8 | T262 K263 A268 A269 D270 | T262-Q266 WeakPolarHBondContact O-CG 3.43Å; T262-Q266 PolarHBondContact O-N 3.06Å; K263-Q266 PolarHBondContact O-N 3.07Å; Q266-A268 VanDerWaalsContact C-N 3.3Å; Q266-A268 PolarHBondContact O-N 3.03Å; Q266-A269 WeakPolarHBondContact O-CB 3.38Å; Q266-A269 PolarHBondContact O-N 3.09Å; Q266-D270 PolarHBondContact O-N 2.83Å |
| 267 | M | 92.3 | Very high | 88.9 | Confident | 101 Ų | 101 | 96.5 Ų | 96.5 | 50% | 0.498 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.6 | -39.7 | 177.4 | -68.8 | 171.4 | 157.6 | 0 | 0 | 113.1 | K263 D270 L271 | K263-M267 HydrophobicContact CD-CE 4.29Å; K263-M267 HydrophobicContact CG-CE 4.12Å; K263-M267 HydrophobicContact CG-SD 4.12Å; K263-M267 WeakPolarHBondContact O-CG 3.45Å; K263-M267 PolarHBondContact O-N 2.96Å; M267-D270 PolarHBondContact O-N 2.83Å; M267-L271 WeakPolarHBondContact O-CG 3.4Å; M267-L271 PolarHBondContact O-N 2.67Å |
| 268 | A | 92.1 | Very high | 87.2 | Confident | 55 Ų | 55 | 96.3 Ų | 96.3 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R264 R265 Q266 L272 | R264-A268 WeakPolarHBondContact O-CB 3.43Å; R264-A268 PolarHBondContact O-N 2.97Å; R265-A268 PolarHBondContact O-N 3.01Å; Q266-A268 VanDerWaalsContact C-N 3.3Å; Q266-A268 PolarHBondContact O-N 3.03Å; A268-L272 PolarHBondContact O-N 3.18Å; A268-L272 VanDerWaalsContact O-N 3.09Å |
| 269 | A | 91.8 | Very high | 85.7 | Confident | 55 Ų | 55 | 103.7 Ų | 103.7 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.8 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R265 Q266 L271 L272 A273 | R265-A269 WeakPolarHBondContact O-CB 3.38Å; R265-A269 PolarHBondContact O-N 3.21Å; Q266-A269 WeakPolarHBondContact O-CB 3.38Å; Q266-A269 PolarHBondContact O-N 3.09Å; A269-L271 VanDerWaalsContact C-N 3.35Å; A269-L271 PolarHBondContact O-N 3.06Å; A269-L272 PolarHBondContact O-N 3.18Å; A269-A273 WeakPolarHBondContact O-CB 3.21Å; A269-A273 PolarHBondContact O-N 2.87Å |
| 270 | D | 89.4 | Confident | 84.2 | Confident | 105 Ų | 105 | 109.9 Ų | 109.9 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.4 | -40.8 | 177.4 | -60.9 | -24.9 | 0 | 0 | 0 | 111.5 | Q266 M267 A273 S274 | Q266-D270 PolarHBondContact O-N 2.83Å; M267-D270 PolarHBondContact O-N 2.83Å; D270-A273 PolarHBondContact O-N 3.44Å; D270-S274 WeakPolarHBondContact O-CB 3.33Å; D270-S274 PolarHBondContact O-N 3.02Å |
| 271 | L | 87.4 | Confident | 82.8 | Confident | 131 Ų | 131 | 109 Ų | 109 | 69% | 0.686 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.9 | -37.9 | 174.3 | -72.2 | 174.3 | 0 | 0 | 0 | 112.5 | M267 A269 A275 | M267-L271 WeakPolarHBondContact O-CG 3.4Å; M267-L271 PolarHBondContact O-N 2.67Å; A269-L271 VanDerWaalsContact C-N 3.35Å; A269-L271 PolarHBondContact O-N 3.06Å; L271-A275 PolarHBondContact O-N 3.48Å |
| 272 | L | 85.6 | Confident | 81.3 | Confident | 140 Ų | 140 | 107.5 Ų | 107.5 | 73% | 0.733 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.5 | -36.2 | 176.6 | -174.5 | 60.9 | 0 | 0 | 0 | 111.8 | A268 A269 A275 | A268-L272 PolarHBondContact O-N 3.18Å; A268-L272 VanDerWaalsContact O-N 3.09Å; A269-L272 PolarHBondContact O-N 3.18Å; L272-A275 PolarHBondContact O-N 2.88Å |
| 273 | A | 83 | Confident | 80.1 | Confident | 86 Ų | 86 | 112.3 Ų | 112.3 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.9 | -32.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A269 D270 | A269-A273 WeakPolarHBondContact O-CB 3.21Å; A269-A273 PolarHBondContact O-N 2.87Å; D270-A273 PolarHBondContact O-N 3.44Å |
| 274 | S | 74.6 | Confident | 78.6 | Confident | 97 Ų | 97 | 115.6 Ų | 115.6 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.5 | -10.9 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | D270 | D270-S274 WeakPolarHBondContact O-CB 3.33Å; D270-S274 PolarHBondContact O-N 3.02Å |
| 275 | A | 70.6 | Confident | 77.3 | Confident | 51 Ų | 51 | 114.2 Ų | 114.2 | 42% | 0.421 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -64.3 | 122.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | L271 L272 A277 | L271-A275 PolarHBondContact O-N 3.48Å; L272-A275 PolarHBondContact O-N 2.88Å; A275-A277 PolarHBondContact O-N 3.17Å |
| 276 | P | 66.9 | Low | 75.9 | Confident | 117 Ų | 117 | 115.9 Ų | 115.9 | 76% | 0.76 | 68% | 0.682 | S | S | * | * | trans | -57 | 124.5 | 176.6 | 24.9 | -32.4 | 0 | 0 | 0 | 106.6 | A278 | P276-A278 VanDerWaalsContact C-N 3.25Å; P276-A278 PolarHBondContact O-N 3.22Å | ||
| 277 | A | 64 | Low | 74.6 | Confident | 96 Ų | 96 | 116.1 Ų | 116.1 | 79% | 0.793 | 69% | 0.691 | S | S | * | * | trans | -52.8 | 97.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | A275 K279 | A275-A277 PolarHBondContact O-N 3.17Å; A277-K279 PolarHBondContact O-N 3.02Å | ||
| 278 | A | 63.6 | Low | 73 | Confident | 86 Ų | 86 | 122.7 Ų | 122.7 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | trans | -64.4 | 105.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | P276 K280 | P276-A278 VanDerWaalsContact C-N 3.25Å; P276-A278 PolarHBondContact O-N 3.22Å; A278-K280 VanDerWaalsContact C-N 3.32Å; A278-K280 PolarHBondContact O-N 2.94Å | ||
| 279 | K | 66.6 | Low | 71.5 | Confident | 196 Ų | 196 | 126.6 Ų | 126.6 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | trans | -59.2 | 101.4 | 175.9 | -64.3 | 176.5 | -177 | 176.4 | 0 | 105.3 | A277 V281 | A277-K279 PolarHBondContact O-N 3.02Å; K279-V281 VanDerWaalsContact C-N 3.31Å; K279-V281 PolarHBondContact O-N 2.99Å | ||
| 280 | K | 65.8 | Low | 69.7 | Low | 204 Ų | 204 | 131.4 Ų | 131.4 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -65.3 | 96.9 | 177.3 | -66.6 | -178.5 | -179.2 | -177.1 | 0 | 106.6 | A278 A282 | A278-K280 VanDerWaalsContact C-N 3.32Å; A278-K280 PolarHBondContact O-N 2.94Å; K280-A282 PolarHBondContact O-N 3.13Å | ||
| 281 | V | 68.9 | Low | 67.8 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | trans | -72 | 108.2 | 171.8 | 179.9 | 0 | 0 | 0 | 0 | 106.2 | K279 V283 | K279-V281 VanDerWaalsContact C-N 3.31Å; K279-V281 PolarHBondContact O-N 2.99Å; V281-V283 PolarHBondContact O-N 3.29Å | ||
| 282 | A | 67.5 | Low | 65.9 | Low | 91 Ų | 91 | 140.8 Ų | 140.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -67.7 | 104.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | K280 K284 | K280-A282 PolarHBondContact O-N 3.13Å; A282-K284 PolarHBondContact O-N 3.26Å | ||
| 283 | V | 70.4 | Confident | 64 | Low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -73.1 | 107.9 | 168.9 | 179.5 | 0 | 0 | 0 | 0 | 106.8 | V281 V285 | V281-V283 PolarHBondContact O-N 3.29Å; V283-V285 PolarHBondContact O-N 3.41Å; V283-V285 VanDerWaalsContact O-N 3.09Å | ||
| 284 | K | 65.9 | Low | 62.1 | Low | 191 Ų | 191 | 148.6 Ų | 148.6 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -66 | 107.1 | 166 | -79.9 | 179.9 | 168.3 | 175.5 | 0 | 107.4 | A282 L286 | A282-K284 PolarHBondContact O-N 3.26Å; K284-L286 PolarHBondContact O-N 3.17Å | ||
| 285 | V | 69.6 | Low | 61.1 | Low | 120 Ų | 120 | 151.7 Ų | 151.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -65.4 | 100.6 | 165.7 | -179.7 | 0 | 0 | 0 | 0 | 106.3 | V283 V287 | V283-V285 PolarHBondContact O-N 3.41Å; V283-V285 VanDerWaalsContact O-N 3.09Å; V285-V287 HydrophobicContact CG1-CG2 3.95Å; V285-V287 PolarHBondContact O-N 2.75Å | ||
| 286 | L | 65.7 | Low | 60.2 | Low | 166 Ų | 166 | 155.4 Ų | 155.4 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -69.5 | 86.5 | 166.4 | -79.4 | 158.8 | 0 | 0 | 0 | 107.1 | K284 R288 | K284-L286 PolarHBondContact O-N 3.17Å; L286-R288 PolarHBondContact O-N 2.99Å | ||
| 287 | V | 65.7 | Low | 59.8 | Low | 108 Ų | 108 | 153.1 Ų | 153.1 | 66% | 0.655 | 80% | 0.802 | S | S | * | * | trans | -64.4 | 113.8 | 161.2 | 177.8 | 0 | 0 | 0 | 0 | 105.4 | V285 D289 | V285-V287 HydrophobicContact CG1-CG2 3.95Å; V285-V287 PolarHBondContact O-N 2.75Å; V287-D289 PolarHBondContact O-N 3Å | ||
| 288 | R | 58.8 | Low | 58.8 | Low | 240 Ų | 240 | 158 Ų | 158 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -66.1 | 111.9 | 165 | -93.1 | -160.9 | 153.9 | 162.3 | -3.4 | 107.3 | L286 D290 | L286-R288 PolarHBondContact O-N 2.99Å; R288-D290 PolarHBondContact O-N 3.03Å | ||
| 289 | D | 59.3 | Low | 58.3 | Low | 137 Ų | 137 | 160.4 Ų | 160.4 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -55.3 | 130.8 | 159.8 | -67.4 | -59.6 | 0 | 0 | 0 | 108.4 | V287 | V287-D289 PolarHBondContact O-N 3Š| ||
| 290 | D | 54.5 | Low | 57.6 | Low | 155 Ų | 155 | 159.1 Ų | 159.1 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | 158.4 | 17.1 | 142.9 | -76.9 | -21.2 | 0 | 0 | 0 | 115.7 | R288 | R288-D290 PolarHBondContact O-N 3.03Š| ||
| 291 | Q | 49 | Very low | 57.1 | Low | 173 Ų | 173 | 159.4 Ų | 159.4 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -137.5 | 82.6 | 160.9 | -68.8 | -169.8 | 13.7 | 0 | 0 | 112.4 | Q293 | Q291-Q293 PolarHBondContact O-N 3.4Š| ||
| 292 | R | 47 | Very low | 56.2 | Low | 260 Ų | 260 | 159 Ų | 159 | 98% | 0.981 | 81% | 0.811 | S | S | * | * | trans | -68.9 | 87.7 | 154.1 | -82.3 | -173.9 | 168.3 | -146.7 | -0.9 | 108.3 | ||||
| 293 | Q | 47.7 | Very low | 55.4 | Low | 166 Ų | 166 | 160 Ų | 160 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -101 | 69.5 | 168.2 | -152.2 | 173.7 | -4 | 0 | 0 | 108.9 | Q291 | Q291-Q293 PolarHBondContact O-N 3.4Š| ||
| 294 | Y | 41.6 | Very low | 54.6 | Low | 224 Ų | 224 | 158.3 Ų | 158.3 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -147.2 | 105 | 162.5 | -118.1 | -87.4 | 0 | 0 | 0 | 109.5 | ||||
| 295 | L | 53.9 | Low | 53.9 | Low | 163 Ų | 163 | 157.1 Ų | 157.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -78.4 | 127.1 | 164.6 | -92.6 | 168.2 | 0 | 0 | 0 | 108.3 | G297 | L295-G297 PolarHBondContact O-N 3.35Š| ||
| 296 | P | 51.8 | Low | 53.1 | Low | 129 Ų | 129 | 158.4 Ų | 158.4 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 93.7 | 173.4 | 31.6 | -26.7 | 0 | 0 | 0 | 108.4 | ||
| 297 | G | 58.4 | Low | 52.4 | Low | 68 Ų | 68 | 155.8 Ų | 155.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.8 | -27.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | L295 V299 | L295-G297 PolarHBondContact O-N 3.35Å; G297-V299 PolarHBondContact O-N 3.4Å |
| 298 | E | 43.3 | Very low | 51.6 | Low | 200 Ų | 200 | 158.8 Ų | 158.8 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -101.6 | 78.7 | -178.4 | -84.4 | -176.9 | 142.4 | 0 | 0 | 112.2 | ||||
| 299 | V | 52.4 | Low | 51.4 | Low | 135 Ų | 135 | 154.9 Ų | 154.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -85.2 | 107.7 | 155.8 | 178.6 | 0 | 0 | 0 | 0 | 107 | G297 | G297-V299 PolarHBondContact O-N 3.4Š| ||
| 300 | L | 53.3 | Low | 50.9 | Low | 170 Ų | 170 | 153.5 Ų | 153.5 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -179.8 | 87.2 | 146.6 | -99.3 | 146.9 | 0 | 0 | 0 | 110 | ||||
| 301 | R | 53.5 | Low | 50.6 | Low | 210 Ų | 210 | 151.3 Ų | 151.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | 163.4 | 112.2 | 137.8 | -177.9 | 171.3 | -179.5 | 118.8 | 1.4 | 109.8 | ||||
| 302 | P | 51.6 | Low | 50.9 | Low | 113 Ų | 113 | 153.8 Ų | 153.8 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -64.4 | 134.4 | 162.3 | -9.9 | 24.9 | 0 | 0 | 0 | 108.1 | S304 | P302-S304 PolarHBondContact O-N 3.37Å; P302-S304 VanDerWaalsContact O-N 3.07Å | ||
| 303 | P | 49.2 | Very low | 51.1 | Low | 112 Ų | 112 | 151.7 Ų | 151.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -64.9 | 116.5 | 166.6 | 27.3 | -28.7 | 0 | 0 | 0 | 106.6 | L305 | P303-L305 PolarHBondContact O-N 3.35Š| ||
| 304 | S | 54.3 | Low | 51.6 | Low | 85 Ų | 85 | 152.6 Ų | 152.6 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | trans | -48.8 | 107.6 | 169.6 | 45.5 | 0 | 0 | 0 | 0 | 109.1 | P302 L306 | P302-S304 PolarHBondContact O-N 3.37Å; P302-S304 VanDerWaalsContact O-N 3.07Å; S304-L306 VanDerWaalsContact C-N 3.34Å; S304-L306 PolarHBondContact O-N 3.36Å | ||
| 305 | L | 50.6 | Low | 52.3 | Low | 166 Ų | 166 | 147.5 Ų | 147.5 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -62.4 | 102.4 | 162.9 | -65.1 | 178.7 | 0 | 0 | 0 | 106.3 | P303 P307 | P303-L305 PolarHBondContact O-N 3.35Å; L305-P307 WeakPolarHBondContact O-CD 3.49Å | ||
| 306 | L | 52.9 | Low | 52.3 | Low | 146 Ų | 146 | 147.4 Ų | 147.4 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -57.4 | 126.8 | 166.7 | -67.7 | 172.1 | 0 | 0 | 0 | 107.5 | S304 L308 | S304-L306 VanDerWaalsContact C-N 3.34Å; S304-L306 PolarHBondContact O-N 3.36Å; L306-L308 PolarHBondContact O-N 3Å | ||
| 307 | P | 51.8 | Low | 52.5 | Low | 112 Ų | 112 | 149.8 Ų | 149.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -66.7 | 106.7 | 169.6 | 24.9 | -28.7 | 0 | 0 | 0 | 107.6 | L305 Q309 | L305-P307 WeakPolarHBondContact O-CD 3.49Å; P307-Q309 PolarHBondContact O-N 3.05Å | ||
| 308 | L | 49.6 | Very low | 52.4 | Low | 170 Ų | 170 | 153 Ų | 153 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -61.6 | 109.7 | 168 | -144 | 80.8 | 0 | 0 | 0 | 106.7 | L306 | L306-L308 PolarHBondContact O-N 3Š| ||
| 309 | Q | 54.1 | Low | 53.2 | Low | 159 Ų | 159 | 148.8 Ų | 148.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -50.6 | 133.8 | 175.3 | -73.7 | -76 | -14.8 | 0 | 0 | 110.4 | P307 S311 | P307-Q309 PolarHBondContact O-N 3.05Å; Q309-S311 PolarHBondContact O-N 2.99Å | ||
| 310 | P | 48.9 | Very low | 53.4 | Low | 108 Ų | 108 | 146.6 Ų | 146.6 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -73.3 | 86.2 | 167.4 | 29.1 | -28.2 | 0 | 0 | 0 | 108.1 | Y312 | P310-Y312 PolarHBondContact O-N 3.43Š| ||
| 311 | S | 46.8 | Very low | 53.2 | Low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -67.1 | 112.8 | 164.9 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | Q309 Y313 | Q309-S311 PolarHBondContact O-N 2.99Å; S311-Y313 PolarHBondContact O-N 2.94Å | ||
| 312 | Y | 55.2 | Low | 53.5 | Low | 224 Ų | 224 | 142.9 Ų | 142.9 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | trans | -54.5 | 102.2 | 166.3 | -82.9 | -101.2 | 0 | 0 | 0 | 109.7 | P310 | P310-Y312 PolarHBondContact O-N 3.43Š| ||
| 313 | Y | 51.9 | Low | 53.6 | Low | 216 Ų | 216 | 140.3 Ų | 140.3 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | trans | -147.7 | 117.3 | 159.7 | -152.5 | -99.7 | 0 | 0 | 0 | 110.6 | S311 | S311-Y313 PolarHBondContact O-N 2.94Š| ||
| 314 | Y | 58 | Low | 53.8 | Low | 185 Ų | 185 | 142.6 Ų | 142.6 | 73% | 0.725 | 75% | 0.75 | S | S | * | * | trans | -51.9 | 134.3 | 179.3 | -104.3 | -101.1 | 0 | 0 | 0 | 113.3 | Y316 | Y314-Y316 AromaticContact CD1-CD2 3.49Å; Y314-Y316 HydrophobicContact CD1-CD2 3.49Å; Y314-Y316 VanDerWaalsContact CD1-CD2 3.49Å; Y314-Y316 AromaticContact CD1-CE2 3.52Å; Y314-Y316 HydrophobicContact CD1-CE2 3.52Å; Y314-Y316 HydrophobicContact CE1-CD2 4.02Å; Y314-Y316 AromaticContact CE1-CE2 3.56Å; Y314-Y316 HydrophobicContact CE1-CE2 3.56Å; Y314-Y316 HydrophobicContact CG-CD2 4.37Å | ||
| 315 | P | 56.7 | Low | 53.5 | Low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -106.3 | 93.3 | 154.3 | 33.2 | -20.5 | 0 | 0 | 0 | 109 | ||||
| 316 | Y | 54.8 | Low | 53.4 | Low | 161 Ų | 161 | 141.8 Ų | 141.8 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | trans | -62.4 | 137.4 | 153.3 | -95.9 | -93.7 | 0 | 0 | 0 | 108.7 | Y314 | Y314-Y316 AromaticContact CD1-CD2 3.49Å; Y314-Y316 HydrophobicContact CD1-CD2 3.49Å; Y314-Y316 VanDerWaalsContact CD1-CD2 3.49Å; Y314-Y316 AromaticContact CD1-CE2 3.52Å; Y314-Y316 HydrophobicContact CD1-CE2 3.52Å; Y314-Y316 HydrophobicContact CE1-CD2 4.02Å; Y314-Y316 AromaticContact CE1-CE2 3.56Å; Y314-Y316 HydrophobicContact CE1-CE2 3.56Å; Y314-Y316 HydrophobicContact CG-CD2 4.37Å | ||
| 317 | Y | 55.6 | Low | 53.2 | Low | 179 Ų | 179 | 141.1 Ų | 141.1 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 77.8 | 71.9 | 166.4 | -47.9 | -70 | 0 | 0 | 0 | 119.7 | L319 | Y317-L319 VanDerWaalsContact C-N 3.26Å; Y317-L319 HydrophobicContact CD1-CD1 4.45Å; Y317-L319 HydrophobicContact CG-CD1 4.4Å; Y317-L319 PolarHBondContact O-N 3.23Å | ||
| 318 | C | 56.2 | Low | 52.7 | Low | 134 Ų | 134 | 140.5 Ų | 140.5 | 91% | 0.905 | 76% | 0.764 | S | S | * | * | trans | -76.7 | 83.9 | 141.7 | -68.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 319 | L | 59.8 | Low | 52.4 | Low | 113 Ų | 113 | 137 Ų | 137 | 59% | 0.592 | 76% | 0.759 | S | S | * | * | trans | -71.5 | 133.4 | 168.2 | -78.3 | 143.3 | 0 | 0 | 0 | 109.6 | Y317 | Y317-L319 VanDerWaalsContact C-N 3.26Å; Y317-L319 HydrophobicContact CD1-CD1 4.45Å; Y317-L319 HydrophobicContact CG-CD1 4.4Å; Y317-L319 PolarHBondContact O-N 3.23Å | ||
| 320 | P | 57.3 | Low | 51.9 | Low | 89 Ų | 89 | 134.5 Ų | 134.5 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | trans | -62.2 | 143.9 | 170.5 | -18.4 | 30.5 | 0 | 0 | 0 | 111 | W322 | P320-W322 PolarHBondContact O-N 3.45Š| ||
| 321 | G | 49.1 | Very low | 51.7 | Low | 91 Ų | 91 | 134.6 Ų | 134.6 | 94% | 0.938 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 42.2 | -167 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 322 | W | 59.2 | Low | 51.4 | Low | 210 Ų | 210 | 132.5 Ų | 132.5 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -0.2 | 168.1 | 61.3 | -77.4 | 0 | 0 | 0 | 112.9 | P320 | P320-W322 PolarHBondContact O-N 3.45Š|
| 323 | A | 53.8 | Low | 51 | Low | 60 Ų | 60 | 128.5 Ų | 128.5 | 50% | 0.496 | 77% | 0.77 | S | S | . | * | trans | -100.4 | 16.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 324 | L | 53.8 | Low | 50.8 | Low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -119.7 | 73.3 | 173.1 | -75.1 | 156.7 | 0 | 0 | 0 | 109.6 | ||||
| 325 | S | 48.4 | Very low | 50.4 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -123.6 | 74.5 | 157.9 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 326 | T | 47.5 | Very low | 50.1 | Low | 117 Ų | 117 | 128.8 Ų | 128.8 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -72.7 | 126.8 | 173.2 | 45.6 | 0 | 0 | 0 | 0 | 109.9 | A328 | T326-A328 PolarHBondContact O-N 3.34Š| ||
| 327 | C | 49 | Very low | 49.8 | Very low | 133 Ų | 133 | 127 Ų | 127 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | trans | -44.8 | 127.3 | 164.1 | -52 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 328 | A | 42 | Very low | 49.5 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -155.3 | 96.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T326 | T326-A328 PolarHBondContact O-N 3.34Š| ||
| 329 | A | 42.3 | Very low | 49.1 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | 175.4 | 89.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 330 | A | 43.1 | Very low | 48.3 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | 62.6 | 124.7 | 73.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 331 | A | 45.4 | Very low | 47.7 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | trans | -71.1 | 167.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 332 | G | 40.7 | Very low | 47.6 | Very low | 64 Ų | 64 | 129.2 Ų | 129.2 | 66% | 0.66 | 83% | 0.826 | S | S | * | * | trans | 165.8 | 101.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 333 | T | 47.1 | Very low | 46.6 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | trans | 33.1 | 130.6 | 134.3 | 59.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 334 | Q | 46.5 | Very low | 46 | Very low | 267 Ų | 267 | 128.2 Ų | 128.2 | 100% | 1.248 | 86% | 0.858 | S | S | * | * | cis | -164 | 0 | 43.9 | -157.6 | -173.6 | 72.5 | 0 | 0 | 109.2 |
Retrieved 334 of 334 residues in 58.5 ms
(Link to these results)