| 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 | 28.4 | Very low | 35.2 | Very low | 241 Ų | 241 | 141.1 Ų | 141.1 | 100% | 1.187 | 82% | 0.815 | S | S | * | * | 0 | 175.1 | 0 | -72.4 | 136.8 | 74.6 | 0 | 0 | 108.3 | |||||
| 2 | S | 30.6 | Very low | 34.8 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -45 | 133.5 | 179.3 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | A | 36.1 | Very low | 34.4 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | 81.7 | 150.9 | 80.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 4 | A | 38.2 | Very low | 34.3 | Very low | 83 Ų | 83 | 143.3 Ų | 143.3 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | cis | -148 | 178.5 | 5.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 5 | D | 34.5 | Very low | 34 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | trans | 19.3 | 122.9 | 156.1 | -65.7 | -60.2 | 0 | 0 | 0 | 121.2 | ||||
| 6 | R | 35.4 | Very low | 33.6 | Very low | 233 Ų | 233 | 148.1 Ų | 148.1 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | 78.5 | 112.8 | 64.5 | -78.2 | -171.9 | 173.5 | 158 | -12.8 | 115.6 | |||||
| 7 | S | 27.2 | Very low | 33.5 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -160.4 | 150.8 | 138.2 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 8 | L | 27.7 | Very low | 33.3 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -164.1 | 160 | 177.3 | -85.4 | 175.7 | 0 | 0 | 0 | 107.4 | ||||
| 9 | P | 56.6 | Low | 33.1 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | cis | -119.5 | -141.9 | -31.9 | 35.5 | -14.4 | 0 | 0 | 0 | 108.3 | ||||
| 10 | P | 42 | Very low | 32.9 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | cis | -135.5 | 150.5 | 45.4 | 36.6 | -16.6 | 0 | 0 | 0 | 117.7 | ||||
| 11 | L | 30.9 | Very low | 32.8 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | 47.7 | 106.6 | 140 | -63.2 | 168.1 | 0 | 0 | 0 | 121.5 | ||||
| 12 | L | 29.4 | Very low | 32.7 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 16.6 | 115.1 | 114.7 | -86.3 | 155.8 | 0 | 0 | 0 | 117.6 | L14 | L12-L14 HydrophobicContact CD2-CG 4.41Š| |||
| 13 | I | 30.5 | Very low | 32.4 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -114.4 | 123.8 | 149.8 | -64.4 | 176.3 | 0 | 0 | 0 | 106.7 | ||||
| 14 | L | 32.4 | Very low | 32.1 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -100.8 | 151.3 | 171.9 | -98.6 | 167.3 | 0 | 0 | 0 | 110.4 | L12 | L12-L14 HydrophobicContact CD2-CG 4.41Š| ||
| 15 | F | 30.2 | Very low | 31.7 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -66.6 | 138.7 | -168.8 | -70.1 | -103 | 0 | 0 | 0 | 114.2 | ||||
| 16 | L | 26.8 | Very low | 31.3 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -138.3 | 143.8 | 139.5 | -93.4 | 170.4 | 0 | 0 | 0 | 108.1 | ||||
| 17 | P | 32.5 | Very low | 31.6 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -81.7 | 144.5 | -169.2 | 31.9 | -34.9 | 0 | 0 | 0 | 113.5 | ||||
| 18 | S | 29.6 | Very low | 31.6 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -74.2 | 142.6 | -176.9 | -45.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 19 | S | 30 | Very low | 31.5 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -163.6 | 89.6 | 152.6 | -84.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 20 | L | 29 | Very low | 30.2 | Very low | 159 Ų | 159 | 142 Ų | 142 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 179.8 | 134.3 | 142.5 | -99.6 | 161.7 | 0 | 0 | 0 | 112.2 | ||||
| 21 | L | 30.1 | Very low | 29.6 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | 58.9 | 117.6 | 154.7 | -68.6 | 163.7 | 0 | 0 | 0 | 122.1 | ||||
| 22 | I | 27.8 | Very low | 29.5 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -174.6 | 119.6 | 134.3 | -94.7 | 150.6 | 0 | 0 | 0 | 105.2 | ||||
| 23 | C | 24.3 | Very low | 29.5 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | 84.3 | 95.2 | 61 | -77.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 24 | L | 28.9 | Very low | 29.4 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | 63.6 | 123.2 | 135.4 | -68.8 | 161.7 | 0 | 0 | 0 | 123.7 | ||||
| 25 | D | 29.4 | Very low | 29.1 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | 73.7 | 112 | 133.8 | -69.6 | -6.2 | 0 | 0 | 0 | 125.2 | ||||
| 26 | G | 27.8 | Very low | 28.9 | Very low | 75 Ų | 75 | 129 Ų | 129 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 106.9 | 169.3 | 132.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 27 | P | 40.2 | Very low | 29 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | cis | -144.9 | 178.5 | -3.7 | 43.8 | -25.6 | 0 | 0 | 0 | 118.2 | ||||
| 28 | L | 27.3 | Very low | 28.8 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 80% | 0.801 | 82% | 0.82 | S | S | * | * | trans | 76.1 | 106.5 | 144 | -83.6 | 164.4 | 0 | 0 | 0 | 125.3 | ||||
| 29 | R | 25.1 | Very low | 28.8 | Very low | 239 Ų | 239 | 129.2 Ų | 129.2 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | 164.6 | 135.2 | 122.6 | -93.3 | 173.6 | 163.5 | 162.7 | -5.5 | 109 | |||||
| 30 | A | 29.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | cis | 80.6 | 134.8 | 28.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 31 | A | 29.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | cis | -171.7 | 148.3 | -17.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 32 | A | 28.8 | Very low | 30 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -177.3 | 127.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 33 | E | 30.9 | Very low | 31 | Very low | 200 Ų | 200 | 123.5 Ų | 123.5 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | 64.9 | 123.6 | 66.9 | -65.7 | -161.2 | 154.4 | 0 | 0 | 114.1 | |||||
| 34 | G | 26.9 | Very low | 31.2 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | cis | -148.5 | -164.2 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 35 | G | 27 | Very low | 31.3 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | cis | 149.8 | 113.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | G | 26.3 | Very low | 31.2 | Very low | 78 Ų | 78 | 123.2 Ų | 123.2 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 172 | 140.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 37 | L | 29 | Very low | 31.6 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -117.5 | 152.1 | 179.9 | -58.5 | 101.4 | 0 | 0 | 0 | 111.6 | ||||
| 38 | S | 27.3 | Very low | 31 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | 177.9 | 167.4 | 126.7 | 39 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 39 | S | 29.5 | Very low | 31.7 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -107.7 | 163.1 | -172.8 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 40 | P | 45.5 | Very low | 32.1 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -83.4 | 168.3 | -168.7 | 38 | -39.8 | 0 | 0 | 0 | 113.5 | ||||
| 41 | P | 37.7 | Very low | 32.2 | Very low | 126 Ų | 126 | 118.1 Ų | 118.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | -143.7 | 176 | 91.5 | 40 | -24.7 | 0 | 0 | 0 | 116 | |||||
| 42 | S | 32.4 | Very low | 32.3 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -78 | 179.9 | 166.8 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 43 | P | 48.3 | Very low | 32.6 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | cis | -143.8 | -159.3 | 15.3 | 45.1 | -24.4 | 0 | 0 | 0 | 116.5 | ||||
| 44 | L | 29.1 | Very low | 32.7 | Very low | 183 Ų | 183 | 113.6 Ų | 113.6 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | 82.7 | 136.2 | 161.9 | -147.9 | 77.7 | 0 | 0 | 0 | 117.2 | ||||
| 45 | G | 29.3 | Very low | 32.8 | Very low | 75 Ų | 75 | 117.6 Ų | 117.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 145.4 | 53.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 46 | D | 29.1 | Very low | 33.2 | Very low | 140 Ų | 140 | 119.6 Ų | 119.6 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | 36.5 | 133.5 | 144.9 | -142.8 | 47.7 | 0 | 0 | 0 | 124.4 | ||||
| 47 | N | 34.5 | Very low | 33.7 | Very low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 41.8 | 107.8 | 149.6 | -71.7 | -41.9 | 0 | 0 | 0 | 122 | ||||
| 48 | G | 28.6 | Very low | 34 | Very low | 72 Ų | 72 | 116.7 Ų | 116.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -165 | 110.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P50 | G48-P50 WeakPolarHBondContact O-CD 3.19Š| ||
| 49 | V | 41.1 | Very low | 34.6 | Very low | 150 Ų | 150 | 117.9 Ų | 117.9 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -90.8 | 125.8 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 50 | P | 35 | Very low | 35.1 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -119.7 | 159.2 | 147.9 | 36.3 | -28.4 | 0 | 0 | 0 | 111.8 | G48 | G48-P50 WeakPolarHBondContact O-CD 3.19Š| ||
| 51 | A | 30.6 | Very low | 35.4 | Very low | 89 Ų | 89 | 117.6 Ų | 117.6 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -56.1 | 139.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V53 | A51-V53 VanDerWaalsContact C-N 3.32Å; A51-V53 PolarHBondContact O-N 3.14Å | ||
| 52 | A | 30.3 | Very low | 36.6 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -66.6 | 92.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | G54 | A52-G54 PolarHBondContact O-N 3.29Å; A52-G54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | V | 37 | Very low | 38.9 | Very low | 137 Ų | 137 | 112.1 Ų | 112.1 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -57.6 | 116.9 | 159.6 | 175.9 | 0 | 0 | 0 | 0 | 105.9 | A51 D55 | A51-V53 VanDerWaalsContact C-N 3.32Å; A51-V53 PolarHBondContact O-N 3.14Å; V53-D55 PolarHBondContact O-N 2.96Å | ||
| 54 | G | 31.4 | Very low | 40.8 | Very low | 57 Ų | 57 | 110.9 Ų | 110.9 | 59% | 0.588 | 72% | 0.723 | S | S | * | * | trans | -62.2 | 112.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A52 T56 | A52-G54 PolarHBondContact O-N 3.29Å; A52-G54 VanDerWaalsContact O-N 3.15Å; G54-T56 PolarHBondContact O-N 3.42Å; G54-T56 PolarHBondContact O-OG1 3.24Å | ||
| 55 | D | 29 | Very low | 43.6 | Very low | 167 Ų | 167 | 102.3 Ų | 102.3 | 89% | 0.893 | 68% | 0.678 | S | S | * | * | trans | -58.3 | 90.1 | 164 | -100.1 | -32.2 | 0 | 0 | 0 | 107.7 | V53 S57 | V53-D55 PolarHBondContact O-N 2.96Å; D55-S57 PolarHBondContact O-N 3.49Å | ||
| 56 | T | 36.1 | Very low | 46.6 | Very low | 127 Ų | 127 | 99.7 Ų | 99.7 | 78% | 0.779 | 65% | 0.648 | S | S | * | * | trans | -78.2 | 66.1 | 173.7 | -51.1 | 0 | 0 | 0 | 0 | 106.6 | G54 A58 | G54-T56 PolarHBondContact O-N 3.42Å; G54-T56 PolarHBondContact O-OG1 3.24Å; T56-A58 PolarHBondContact O-N 3Å | ||
| 57 | S | 36.3 | Very low | 49.5 | Very low | 109 Ų | 109 | 93 Ų | 93 | 76% | 0.762 | 61% | 0.612 | S | S | * | * | trans | -56.7 | 89.8 | 153.6 | -178.2 | 0 | 0 | 0 | 0 | 105.5 | D55 L59 | D55-S57 PolarHBondContact O-N 3.49Å; S57-L59 PolarHBondContact O-N 3.27Å | ||
| 58 | A | 36.3 | Very low | 52.4 | Low | 81 Ų | 81 | 89.4 Ų | 89.4 | 67% | 0.669 | 59% | 0.589 | S | S | * | * | trans | -65.3 | 92.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | T56 A60 | T56-A58 PolarHBondContact O-N 3Å; A58-A60 PolarHBondContact O-N 3.43Å | ||
| 59 | L | 38.7 | Very low | 55.5 | Low | 151 Ų | 151 | 86 Ų | 86 | 79% | 0.791 | 55% | 0.554 | S | S | * | * | trans | -49.2 | 105.7 | 174.6 | -166.3 | 92.5 | 0 | 0 | 0 | 106.1 | S57 T61 | S57-L59 PolarHBondContact O-N 3.27Å; L59-T61 PolarHBondContact O-N 2.72Å | ||
| 60 | A | 41.3 | Very low | 58.1 | Low | 94 Ų | 94 | 80.1 Ų | 80.1 | 78% | 0.777 | 52% | 0.517 | S | S | * | . | trans | -61.5 | 105.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | A58 E62 | A58-A60 PolarHBondContact O-N 3.43Å; A60-E62 VanDerWaalsContact C-N 3.31Å; A60-E62 PolarHBondContact O-N 3.22Å | ||
| 61 | T | 51.9 | Low | 61 | Low | 129 Ų | 129 | 74.8 Ų | 74.8 | 79% | 0.791 | 48% | 0.483 | S | S | * | . | trans | -69.7 | 92.1 | -167.9 | 31.6 | 0 | 0 | 0 | 0 | 108.6 | L59 A63 | L59-T61 PolarHBondContact O-N 2.72Å; T61-A63 PolarHBondContact O-N 2.67Å; T61-A63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | E | 63.1 | Low | 64 | Low | 91 Ų | 91 | 75 Ų | 75 | 43% | 0.425 | 47% | 0.465 | S | S | . | . | trans | -50.6 | 124.7 | -179.4 | -167.6 | 179.4 | -161.4 | 0 | 0 | 107.9 | A60 Q64 P110 N112 | A60-E62 VanDerWaalsContact C-N 3.31Å; A60-E62 PolarHBondContact O-N 3.22Å; E62-Q64 PolarHBondContact O-N 3.41Å; E62-P110 HydrophobicContact CG-CB 3.7Å; E62-P110 WeakPolarHBondContact OE1-CB 3.13Å; E62-N112 PolarHBondContact OE1-ND2 3.27Å | ||
| 63 | A | 79.9 | Confident | 67 | Low | 28 Ų | 28 | 70.6 Ų | 70.6 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | trans | -78.8 | 70.3 | -152.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T61 Y111 R138 | T61-A63 PolarHBondContact O-N 2.67Å; T61-A63 VanDerWaalsContact O-N 3.15Å; A63-Y111 WeakPolarHBondContact O-CB 3.44Å; A63-Y111 PolarHBondContact O-N 3.4Å; A63-Y111 VanDerWaalsContact O-N 3.11Å; A63-R138 PolarHBondContact O-NE 2.73Å; A63-R138 VanDerWaalsContact O-NE 3.17Å | ||
| 64 | Q | 87.9 | Confident | 69.6 | Low | 87 Ų | 87 | 66 Ų | 66 | 41% | 0.407 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 149.2 | -172.2 | -68.8 | 170.5 | 21 | 0 | 0 | 112.6 | E62 V109 P110 R138 | E62-Q64 PolarHBondContact O-N 3.41Å; Q64-V109 CarbonylContact C-O 3.58Å; Q64-V109 VanDerWaalsContact CA-O 3.26Å; Q64-V109 WeakPolarHBondContact CA-O 3.34Å; Q64-P110 HydrophobicContact CG-CB 4.31Å; Q64-R138 PolarHBondContact O-NE 3.4Å; Q64-R138 PolarHBondContact O-NH2 2.92Å |
| 65 | F | 88.8 | Confident | 72.4 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 158 | 170.2 | 70.8 | -82.1 | 0 | 0 | 0 | 110.1 | L67 V109 W133 R138 P139 | F65-L67 HydrophobicContact CD2-CB 4.4Å; F65-L67 HydrophobicContact CE2-CB 3.82Å; F65-L67 HydrophobicContact CE2-CD1 4.39Å; F65-V109 HydrophobicContact CD1-CB 4.22Å; F65-V109 WeakPolarHBondContact CD1-O 3.28Å; F65-V109 HydrophobicContact CE1-CB 3.57Å; F65-V109 HydrophobicContact CE1-CG1 3.65Å; F65-V109 WeakPolarHBondContact CE1-O 3.5Å; F65-V109 HydrophobicContact CE2-CB 4.4Å; F65-V109 HydrophobicContact CZ-CB 3.65Å; F65-V109 HydrophobicContact CZ-CG1 3.84Å; F65-V109 HydrophobicContact CZ-CG2 4.32Å; F65-V109 PolarHBondContact N-O 2.63Å; F65-V109 PolarHBondContact O-N 2.89Å; F65-W133 HydrophobicContact CD2-CH2 4.44Å; F65-W133 AromaticContact CE1-CH2 3.74Å; F65-W133 HydrophobicContact CE1-CH2 3.74Å; F65-W133 AromaticContact CE1-CZ3 3.75Å; F65-W133 HydrophobicContact CE1-CZ3 3.75Å; F65-W133 AromaticContact CE2-CH2 3.53Å; F65-W133 HydrophobicContact CE2-CH2 3.53Å; F65-W133 HydrophobicContact CE2-CZ2 4.14Å; F65-W133 HydrophobicContact CE2-CZ3 4.14Å; F65-W133 HydrophobicContact CZ-CE3 4.32Å; F65-W133 AromaticContact CZ-CH2 3.12Å; F65-W133 HydrophobicContact CZ-CH2 3.12Å; F65-W133 HydrophobicContact CZ-CZ2 4.1Å; F65-W133 AromaticContact CZ-CZ3 3.29Å; F65-W133 HydrophobicContact CZ-CZ3 3.29Å; F65-R138 HydrophobicContact CB-CG 4.5Å; F65-P139 HydrophobicContact CB-CG 4.26Å; F65-P139 WeakPolarHBondContact CB-O 3.36Å; F65-P139 HydrophobicContact CD1-CG 4.37Å; F65-P139 HydrophobicContact CD2-CG 3.52Å; F65-P139 HydrophobicContact CE2-CG 3.91Å; F65-P139 HydrophobicContact CG-CG 3.79Å |
| 66 | S | 90.9 | Very high | 75.4 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126 | 176.1 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | S142 | S66-S142 PolarHBondContact O-N 3.46Å |
| 67 | L | 91.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 111.5 | 178.7 | 176 | 66.3 | 0 | 0 | 0 | 109.1 | F65 V69 L107 V109 L119 S142 V144 | F65-L67 HydrophobicContact CD2-CB 4.4Å; F65-L67 HydrophobicContact CE2-CB 3.82Å; F65-L67 HydrophobicContact CE2-CD1 4.39Å; L67-V69 HydrophobicContact CD1-CG2 4.41Å; L67-V69 HydrophobicContact CD2-CG2 3.83Å; L67-V69 HydrophobicContact CG-CG2 3.75Å; L67-L107 HydrophobicContact CB-CB 4.34Å; L67-L107 PolarHBondContact N-O 2.96Å; L67-L107 PolarHBondContact O-N 3.42Å; L67-V109 HydrophobicContact CB-CG2 4.14Å; L67-V109 HydrophobicContact CD2-CG2 3.98Å; L67-L119 HydrophobicContact CD2-CD1 3.76Å; L67-L119 HydrophobicContact CD2-CD2 3.57Å; L67-L119 HydrophobicContact CD2-CG 4.3Å; L67-S142 CarbonylContact C-O 3.5Å; L67-S142 WeakPolarHBondContact CA-O 3.47Å; L67-V144 HydrophobicContact CD1-CB 4.41Å; L67-V144 HydrophobicContact CD1-CG2 3.87Å |
| 68 | K | 93.7 | Very high | 80.8 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 30% | 0.3 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.4 | 169.4 | -165.7 | -177.5 | -165.9 | -162.9 | 0 | 109.2 | E104 L106 F141 S142 A143 V144 | K68-E104 WeakPolarHBondContact CE-OE1 3.33Å; K68-E104 WeakPolarHBondContact CE-OE2 3.44Å; K68-E104 IonicContact NZ-OE1 3.82Å; K68-E104 PolarHBondContact NZ-OE1 2.94Å; K68-E104 IonicContact NZ-OE2 2.7Å; K68-E104 PolarHBondContact NZ-OE2 2.88Å; K68-L106 HydrophobicContact CB-CD1 4.22Å; K68-F141 HydrophobicContact CB-CE2 3.92Å; K68-F141 HydrophobicContact CB-CZ 3.76Å; K68-F141 HydrophobicContact CD-CZ 4.36Å; K68-S142 PolarHBondContact N-O 3.43Å; K68-A143 HydrophobicContact CB-CB 4.37Å; K68-A143 CarbonylContact O-C 3.55Å; K68-A143 VanDerWaalsContact O-CA 3.32Å; K68-A143 WeakPolarHBondContact O-CA 3.37Å; K68-V144 PolarHBondContact O-N 3.48Å |
| 69 | V | 94.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.4 | 174.4 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | L67 V71 V85 E104 V105 L107 V144 L146 | L67-V69 HydrophobicContact CD1-CG2 4.41Å; L67-V69 HydrophobicContact CD2-CG2 3.83Å; L67-V69 HydrophobicContact CG-CG2 3.75Å; V69-V71 HydrophobicContact CG1-CG2 4.19Å; V69-V85 HydrophobicContact CB-CG1 4.32Å; V69-V85 HydrophobicContact CG1-CG1 4.06Å; V69-V85 HydrophobicContact CG1-CG2 4.15Å; V69-V85 HydrophobicContact CG2-CG1 4.22Å; V69-E104 CarbonylContact O-C 3.58Å; V69-E104 WeakPolarHBondContact O-CA 3.2Å; V69-V105 HydrophobicContact CB-CG1 3.89Å; V69-V105 PolarHBondContact N-O 2.57Å; V69-V105 PolarHBondContact O-N 2.96Å; V69-L107 HydrophobicContact CG2-CD1 3.98Å; V69-V144 WeakPolarHBondContact CA-O 3.33Å; V69-L146 HydrophobicContact CG1-CB 4.46Å; V69-L146 HydrophobicContact CG1-CD1 3.58Å; V69-L146 HydrophobicContact CG1-CG 3.75Å |
| 70 | L | 95.1 | Very high | 86.2 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 109.5 | 177.8 | 168.9 | 61.6 | 0 | 0 | 0 | 108.3 | R72 E104 V144 T145 L146 | L70-R72 HydrophobicContact CD1-CG 4.21Å; L70-R72 HydrophobicContact CG-CG 4.22Å; L70-E104 HydrophobicContact CB-CG 4.43Å; L70-E104 HydrophobicContact CD1-CG 3.63Å; L70-V144 PolarHBondContact N-O 3.27Å; L70-T145 HydrophobicContact CG-CG2 4.42Å; L70-T145 CarbonylContact O-C 3.55Å; L70-T145 VanDerWaalsContact O-CA 3.26Å; L70-T145 WeakPolarHBondContact O-CA 3.19Å; L70-L146 PolarHBondContact O-N 3.2Å |
| 71 | V | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.5 | -178.5 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | V69 L80 A83 V85 T99 G103 L146 L148 | V69-V71 HydrophobicContact CG1-CG2 4.19Å; V71-L80 HydrophobicContact CG1-CB 4.18Å; V71-L80 HydrophobicContact CG1-CD1 4.32Å; V71-L80 PolarHBondContact O-N 2.94Å; V71-A83 HydrophobicContact CB-CB 4.32Å; V71-A83 HydrophobicContact CG1-CB 3.89Å; V71-A83 HydrophobicContact CG2-CB 4.47Å; V71-V85 HydrophobicContact CG2-CG2 3.54Å; V71-T99 HydrophobicContact CB-CG2 3.98Å; V71-T99 HydrophobicContact CG2-CG2 3.53Å; V71-G103 PolarHBondContact N-O 2.64Å; V71-L146 WeakPolarHBondContact CA-O 3.5Å; V71-L146 HydrophobicContact CG2-CB 4.32Å; V71-L146 HydrophobicContact CG2-CD1 4.39Å; V71-L148 HydrophobicContact CG1-CD1 3.63Å; V71-L148 HydrophobicContact CG1-CG 3.75Å |
| 72 | R | 94.7 | Very high | 90.7 | Very high | 94 Ų | 94 | 53.2 Ų | 53.2 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 155.6 | -178.8 | -69.6 | -179.2 | 176.6 | -141.9 | 5.3 | 112.1 | L70 R77 R78 L146 L147 L148 | L70-R72 HydrophobicContact CD1-CG 4.21Å; L70-R72 HydrophobicContact CG-CG 4.22Å; R72-R77 PolarHBondContact NH1-O 3.46Å; R72-R78 CarbonylContact C-O 3.57Å; R72-R78 WeakPolarHBondContact CA-O 3.46Å; R72-R78 WeakPolarHBondContact CB-O 3.38Å; R72-L146 PolarHBondContact N-O 3.08Å; R72-L147 HydrophobicContact CB-CD2 4.09Å; R72-L147 CarbonylContact O-C 3.57Å; R72-L147 WeakPolarHBondContact O-CA 3.26Å; R72-L148 PolarHBondContact O-N 3.44Å |
| 73 | D | 93.6 | Very high | 92.2 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 128.5 | 168 | 179.3 | -21.2 | 0 | 0 | 0 | 109.7 | V75 T76 R77 R78 L80 Y126 | D73-V75 VanDerWaalsContact C-N 3.29Å; D73-V75 PolarHBondContact O-N 3.34Å; D73-V75 WeakPolarHBondContact OD1-CA 3.29Å; D73-V75 WeakPolarHBondContact OD1-CB 3.07Å; D73-V75 PolarHBondContact OD1-N 3.35Å; D73-T76 WeakPolarHBondContact CB-OG1 3.48Å; D73-T76 VanDerWaalsContact CG-N 3.31Å; D73-T76 PolarHBondContact OD1-N 3.35Å; D73-T76 VanDerWaalsContact OD2-CB 3.29Å; D73-T76 WeakPolarHBondContact OD2-CB 3.33Å; D73-T76 WeakPolarHBondContact OD2-CG2 3.4Å; D73-T76 PolarHBondContact OD2-N 2.91Å; D73-T76 PolarHBondContact OD2-OG1 3.07Å; D73-R77 WeakPolarHBondContact O-CA 3.47Å; D73-R77 PolarHBondContact O-N 3.24Å; D73-R78 PolarHBondContact N-O 3.01Å; D73-L80 HydrophobicContact CB-CD1 4.33Å; D73-L80 HydrophobicContact CB-CD2 4.28Å; D73-L80 HydrophobicContact CB-CG 4.37Å; D73-Y126 HydrophobicContact CB-CE1 4.28Å |
| 74 | L | 90.8 | Very high | 92.9 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 22% | 0.22 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -32.7 | 178.6 | 177.2 | 60.3 | 0 | 0 | 0 | 112.9 | R77 L147 L148 L149 | L74-R77 PolarHBondContact O-NE 3.17Å; L74-L147 HydrophobicContact CB-CB 4.22Å; L74-L147 HydrophobicContact CD1-CB 3.9Å; L74-L147 HydrophobicContact CD1-CD1 3.93Å; L74-L147 HydrophobicContact CD1-CG 4.45Å; L74-L148 WeakPolarHBondContact CB-O 3.39Å; L74-L148 PolarHBondContact N-O 3.2Å; L74-L149 HydrophobicContact CD2-CB 4.04Å; L74-L149 HydrophobicContact CD2-CD1 4.11Å |
| 75 | V | 90 | Very high | 93.2 | Very high | 100 Ų | 100 | 44.2 Ų | 44.2 | 61% | 0.606 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -58.2 | -177.6 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | D73 P150 | D73-V75 VanDerWaalsContact C-N 3.29Å; D73-V75 PolarHBondContact O-N 3.34Å; D73-V75 WeakPolarHBondContact OD1-CA 3.29Å; D73-V75 WeakPolarHBondContact OD1-CB 3.07Å; D73-V75 PolarHBondContact OD1-N 3.35Å; V75-P150 HydrophobicContact CG2-CG 4.03Å |
| 76 | T | 92.4 | Very high | 93.4 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -11.3 | -174.4 | 73.9 | 0 | 0 | 0 | 0 | 114 | D73 R78 | D73-T76 WeakPolarHBondContact CB-OG1 3.48Å; D73-T76 VanDerWaalsContact CG-N 3.31Å; D73-T76 PolarHBondContact OD1-N 3.35Å; D73-T76 VanDerWaalsContact OD2-CB 3.29Å; D73-T76 WeakPolarHBondContact OD2-CB 3.33Å; D73-T76 WeakPolarHBondContact OD2-CG2 3.4Å; D73-T76 PolarHBondContact OD2-N 2.91Å; D73-T76 PolarHBondContact OD2-OG1 3.07Å; T76-R78 PolarHBondContact O-N 3.46Å |
| 77 | R | 92.2 | Very high | 93.4 | Very high | 136 Ų | 136 | 44.3 Ų | 44.3 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | trans | 58.9 | 9.2 | -177.7 | -55 | -59.6 | -179.4 | 144.2 | 0.8 | 115.6 | R72 D73 L74 | R72-R77 PolarHBondContact NH1-O 3.46Å; D73-R77 WeakPolarHBondContact O-CA 3.47Å; D73-R77 PolarHBondContact O-N 3.24Å; L74-R77 PolarHBondContact O-NE 3.17Å | ||
| 78 | R | 94.1 | Very high | 93.3 | Very high | 180 Ų | 180 | 45 Ų | 45 | 68% | 0.679 | 23% | 0.232 | S | C | * | . | trans | -71.4 | 149.5 | 175 | -67.3 | 179.6 | 177 | -168.8 | -1.8 | 111.1 | R72 D73 T76 | R72-R78 CarbonylContact C-O 3.57Å; R72-R78 WeakPolarHBondContact CA-O 3.46Å; R72-R78 WeakPolarHBondContact CB-O 3.38Å; D73-R78 PolarHBondContact N-O 3.01Å; T76-R78 PolarHBondContact O-N 3.46Å | ||
| 79 | P | 94.4 | Very high | 92.9 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 40% | 0.403 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -61.6 | 147.8 | 170 | 28 | -34.9 | 0 | 0 | 0 | 111.7 | D102 | P79-D102 WeakPolarHBondContact CB-O 3.47Å |
| 80 | L | 94.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | trans | -116.3 | 93.2 | 177.9 | -67.2 | 178 | 0 | 0 | 0 | 110.3 | V71 D73 T99 K123 Y126 L148 | V71-L80 HydrophobicContact CG1-CB 4.18Å; V71-L80 HydrophobicContact CG1-CD1 4.32Å; V71-L80 PolarHBondContact O-N 2.94Å; D73-L80 HydrophobicContact CB-CD1 4.33Å; D73-L80 HydrophobicContact CB-CD2 4.28Å; D73-L80 HydrophobicContact CB-CG 4.37Å; L80-T99 PolarHBondContact O-OG1 3.11Å; L80-K123 HydrophobicContact CB-CD 4.29Å; L80-Y126 HydrophobicContact CD1-CD1 4.02Å; L80-Y126 HydrophobicContact CD1-CE1 3.71Å; L80-Y126 HydrophobicContact CD1-CE2 4.39Å; L80-Y126 HydrophobicContact CD1-CG 4.49Å; L80-Y126 HydrophobicContact CD2-CE1 4.23Å; L80-Y126 HydrophobicContact CD2-CE2 4.17Å; L80-Y126 WeakPolarHBondContact CD2-OH 3.49Å; L80-L148 HydrophobicContact CD1-CB 3.95Å; L80-L148 HydrophobicContact CD1-CD1 4Å; L80-L148 HydrophobicContact CD1-CG 4.24Å | ||
| 81 | A | 93.8 | Very high | 91.6 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 149.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112 | A83 G100 K123 | A81-A83 VanDerWaalsContact C-N 3.25Å; A81-A83 PolarHBondContact O-N 3.19Å; A81-G100 VanDerWaalsContact CA-O 3.28Å; A81-G100 WeakPolarHBondContact CA-O 3.44Å; A81-G100 WeakPolarHBondContact CB-O 3.46Å; A81-K123 PolarHBondContact O-NZ 2.83Å |
| 82 | G | 92.8 | Very high | 91 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 45% | 0.454 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 20.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T99 | G82-T99 PolarHBondContact N-O 3.16Å; G82-T99 PolarHBondContact N-OG1 3.22Å; G82-T99 VanDerWaalsContact N-OG1 3.12Å |
| 83 | A | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -82 | 138.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V71 A81 Q98 T99 N122 K123 L148 | V71-A83 HydrophobicContact CB-CB 4.32Å; V71-A83 HydrophobicContact CG1-CB 3.89Å; V71-A83 HydrophobicContact CG2-CB 4.47Å; A81-A83 VanDerWaalsContact C-N 3.25Å; A81-A83 PolarHBondContact O-N 3.19Å; A83-Q98 CarbonylContact O-C 3.59Å; A83-Q98 VanDerWaalsContact O-CA 3.29Å; A83-Q98 WeakPolarHBondContact O-CA 3.2Å; A83-T99 HydrophobicContact CB-CG2 4.45Å; A83-T99 PolarHBondContact N-OG1 3.15Å; A83-T99 PolarHBondContact O-N 3.49Å; A83-T99 PolarHBondContact O-OG1 2.96Å; A83-N122 CarbonylContact C-O 3.57Å; A83-N122 WeakPolarHBondContact CA-O 3.47Å; A83-K123 HydrophobicContact CB-CB 4.04Å; A83-K123 HydrophobicContact CB-CD 4.11Å; A83-K123 HydrophobicContact CB-CG 4.47Å; A83-L148 HydrophobicContact CB-CD1 4.4Å | ||
| 84 | S | 94.6 | Very high | 90 | Very high | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 141.8 | 167.9 | 74.8 | 0 | 0 | 0 | 0 | 110.3 | D86 A97 N122 | S84-D86 WeakPolarHBondContact CB-OD2 3.46Å; S84-D86 PolarHBondContact OG-OD2 3.45Å; S84-A97 WeakPolarHBondContact CA-O 3.39Å; S84-N122 PolarHBondContact N-O 3.01Å; S84-N122 PolarHBondContact O-N 2.88Å |
| 85 | V | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 103.7 | 169.1 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | V69 V71 A97 T99 V105 L107 L120 L146 | V69-V85 HydrophobicContact CB-CG1 4.32Å; V69-V85 HydrophobicContact CG1-CG1 4.06Å; V69-V85 HydrophobicContact CG1-CG2 4.15Å; V69-V85 HydrophobicContact CG2-CG1 4.22Å; V71-V85 HydrophobicContact CG2-CG2 3.54Å; V85-A97 PolarHBondContact N-O 2.94Å; V85-A97 PolarHBondContact O-N 3.12Å; V85-T99 HydrophobicContact CG2-CG2 4.3Å; V85-V105 HydrophobicContact CB-CG1 4.12Å; V85-V105 HydrophobicContact CG2-CG1 3.82Å; V85-L107 HydrophobicContact CB-CD1 4.19Å; V85-L107 HydrophobicContact CG1-CD1 3.63Å; V85-L120 WeakPolarHBondContact CA-O 3.41Å; V85-L146 HydrophobicContact CG1-CD1 4.12Å; V85-L146 HydrophobicContact CG2-CD1 4.34Å |
| 86 | D | 92.6 | Very high | 89.7 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.4 | -174.7 | -61.6 | -75.4 | 0 | 0 | 0 | 110.1 | S84 Y88 S96 L120 | S84-D86 WeakPolarHBondContact CB-OD2 3.46Å; S84-D86 PolarHBondContact OG-OD2 3.45Å; D86-Y88 HydrophobicContact CB-CE2 3.62Å; D86-S96 WeakPolarHBondContact OD1-CB 3.41Å; D86-S96 PolarHBondContact OD1-OG 2.95Å; D86-L120 HydrophobicContact CB-CB 4.25Å; D86-L120 PolarHBondContact N-O 3.35Å; D86-L120 PolarHBondContact O-N 2.89Å |
| 87 | V | 91.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 112.7 | -170.2 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | L89 K94 S95 L107 V109 L117 L119 | V87-L89 HydrophobicContact CG1-CD1 4.18Å; V87-K94 PolarHBondContact O-N 2.73Å; V87-S95 PolarHBondContact N-O 3.3Å; V87-L107 HydrophobicContact CG2-CD1 3.75Å; V87-L107 HydrophobicContact CG2-CD2 4.12Å; V87-L107 HydrophobicContact CG2-CG 4.45Å; V87-V109 HydrophobicContact CG1-CG1 4.13Å; V87-V109 HydrophobicContact CG1-CG2 4.16Å; V87-L117 HydrophobicContact CG1-CD1 3.72Å; V87-L117 HydrophobicContact CG1-CG 4.43Å; V87-L119 HydrophobicContact CG1-CD2 4.32Å; V87-L119 HydrophobicContact CG2-CD2 4.07Å |
| 88 | Y | 88.6 | Confident | 89.9 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.6 | -180 | -58.8 | -101.6 | 0 | 0 | 0 | 110.3 | D86 T92 L117 T118 L120 L278 T280 | D86-Y88 HydrophobicContact CB-CE2 3.62Å; Y88-T92 WeakPolarHBondContact CA-O 3.13Å; Y88-L117 CarbonylContact O-C 3.58Å; Y88-L117 WeakPolarHBondContact O-CA 3.28Å; Y88-T118 PolarHBondContact N-O 2.79Å; Y88-T118 PolarHBondContact O-N 3.21Å; Y88-L120 HydrophobicContact CD2-CB 4.38Å; Y88-L120 HydrophobicContact CE2-CB 3.82Å; Y88-L120 HydrophobicContact CE2-CD2 4.01Å; Y88-L278 PolarHBondContact OH-O 2.8Å; Y88-T280 VanDerWaalsContact CD1-C 3.5Å |
| 89 | L | 87.3 | Confident | 89.9 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.1 | 166.4 | -84.8 | 86.2 | 0 | 0 | 0 | 108.6 | V87 H91 T92 K94 V109 P110 V115 L117 | V87-L89 HydrophobicContact CG1-CD1 4.18Å; L89-H91 VanDerWaalsContact C-N 3.26Å; L89-H91 PolarHBondContact O-N 2.87Å; L89-T92 PolarHBondContact N-O 3.23Å; L89-T92 WeakPolarHBondContact O-CB 3.43Å; L89-T92 PolarHBondContact O-N 2.88Å; L89-K94 HydrophobicContact CB-CG 4.1Å; L89-K94 HydrophobicContact CD1-CB 4.03Å; L89-K94 HydrophobicContact CD1-CG 3.95Å; L89-V109 HydrophobicContact CD1-CG1 4.39Å; L89-P110 HydrophobicContact CD1-CG 4.09Å; L89-P110 HydrophobicContact CD2-CG 3.91Å; L89-V115 HydrophobicContact CB-CG1 3.99Å; L89-V115 HydrophobicContact CD2-CG1 4.13Å; L89-V115 HydrophobicContact CG-CG1 4.22Å; L89-L117 HydrophobicContact CD1-CD1 3.35Å; L89-L117 HydrophobicContact CG-CD1 3.69Å |
| 90 | N | 81.9 | Confident | 89.8 | Confident | 91 Ų | 91 | 41.6 Ų | 41.6 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.7 | 52.4 | -176.2 | -167.1 | 24.4 | 0 | 0 | 0 | 112.5 | T92 V115 S116 | N90-T92 PolarHBondContact O-N 3.34Å; N90-T92 PolarHBondContact O-OG1 3.02Å; N90-V115 HydrophobicContact CB-CG1 4.04Å; N90-S116 PolarHBondContact N-O 3.01Å |
| 91 | H | 79.3 | Confident | 89.7 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 12 | 178.2 | -48.2 | -69 | 0 | 0 | 0 | 115.9 | L89 I218 T280 A282 | L89-H91 VanDerWaalsContact C-N 3.26Å; L89-H91 PolarHBondContact O-N 2.87Å; H91-I218 HydrophobicContact CB-CD1 4.04Å; H91-T280 WeakPolarHBondContact CA-O 3.42Å; H91-T280 WeakPolarHBondContact O-CA 3.32Å; H91-A282 VanDerWaalsContact ND1-CB 3.27Å; H91-A282 WeakPolarHBondContact ND1-CB 3.38Å |
| 92 | T | 82.9 | Confident | 89.6 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.4 | 173.6 | -51.4 | 0 | 0 | 0 | 0 | 109 | Y88 L89 N90 | Y88-T92 WeakPolarHBondContact CA-O 3.13Å; L89-T92 PolarHBondContact N-O 3.23Å; L89-T92 WeakPolarHBondContact O-CB 3.43Å; L89-T92 PolarHBondContact O-N 2.88Å; N90-T92 PolarHBondContact O-N 3.34Å; N90-T92 PolarHBondContact O-OG1 3.02Å |
| 93 | S | 82.6 | Confident | 89.6 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 137.4 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 94 | K | 84.2 | Confident | 89.6 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 55% | 0.548 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | -27.9 | -174.9 | -76.9 | -68.3 | -166.9 | 165.6 | 0 | 114 | V87 L89 | V87-K94 PolarHBondContact O-N 2.73Å; L89-K94 HydrophobicContact CB-CG 4.1Å; L89-K94 HydrophobicContact CD1-CB 4.03Å; L89-K94 HydrophobicContact CD1-CG 3.95Å |
| 95 | S | 84.1 | Confident | 89.6 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 150.8 | 177 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | V87 | V87-S95 PolarHBondContact N-O 3.3Å |
| 96 | S | 90.6 | Very high | 89.6 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 135.2 | 173 | -176 | 0 | 0 | 0 | 0 | 107.6 | D86 | D86-S96 WeakPolarHBondContact OD1-CB 3.41Å; D86-S96 PolarHBondContact OD1-OG 2.95Å |
| 97 | A | 93.1 | Very high | 89.5 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 156.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S84 V85 V105 L107 | S84-A97 WeakPolarHBondContact CA-O 3.39Å; V85-A97 PolarHBondContact N-O 2.94Å; V85-A97 PolarHBondContact O-N 3.12Å; A97-V105 HydrophobicContact CB-CG2 3.57Å; A97-L107 HydrophobicContact CB-CD2 3.72Å |
| 98 | Q | 95.5 | Very high | 89.5 | Confident | 145 Ų | 145 | 65.5 Ų | 65.5 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 149.3 | 177 | -66.9 | -179.4 | -1.1 | 0 | 0 | 111.2 | A83 V105 | A83-Q98 CarbonylContact O-C 3.59Å; A83-Q98 VanDerWaalsContact O-CA 3.29Å; A83-Q98 WeakPolarHBondContact O-CA 3.2Å; Q98-V105 WeakPolarHBondContact O-CG2 3.35Å |
| 99 | T | 94.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.055 | 35% | 0.347 | C | S | . | . | trans | -76 | 139.4 | 176 | 49.9 | 0 | 0 | 0 | 0 | 113 | V71 L80 G82 A83 V85 G103 E104 V105 | V71-T99 HydrophobicContact CB-CG2 3.98Å; V71-T99 HydrophobicContact CG2-CG2 3.53Å; L80-T99 PolarHBondContact O-OG1 3.11Å; G82-T99 PolarHBondContact N-O 3.16Å; G82-T99 PolarHBondContact N-OG1 3.22Å; G82-T99 VanDerWaalsContact N-OG1 3.12Å; A83-T99 HydrophobicContact CB-CG2 4.45Å; A83-T99 PolarHBondContact N-OG1 3.15Å; A83-T99 PolarHBondContact O-N 3.49Å; A83-T99 PolarHBondContact O-OG1 2.96Å; V85-T99 HydrophobicContact CG2-CG2 4.3Å; T99-G103 VanDerWaalsContact CG2-O 3.29Å; T99-G103 WeakPolarHBondContact CG2-O 2.98Å; T99-E104 WeakPolarHBondContact CA-O 3.38Å; T99-V105 HydrophobicContact CG2-CB 4.16Å; T99-V105 HydrophobicContact CG2-CG1 4.09Å | ||
| 100 | G | 92.9 | Very high | 89.5 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | trans | -71.2 | -175 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A81 D102 G103 E104 | A81-G100 VanDerWaalsContact CA-O 3.28Å; A81-G100 WeakPolarHBondContact CA-O 3.44Å; A81-G100 WeakPolarHBondContact CB-O 3.46Å; G100-D102 VanDerWaalsContact C-N 3.3Å; G100-D102 PolarHBondContact O-N 3.04Å; G100-G103 WeakPolarHBondContact O-CA 3.4Å; G100-G103 PolarHBondContact O-N 2.95Å; G100-E104 PolarHBondContact N-O 2.92Å | ||
| 101 | E | 92.2 | Very high | 89.6 | Confident | 180 Ų | 180 | 62.5 Ų | 62.5 | 84% | 0.841 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.3 | -174 | -60.6 | -172.4 | 168.6 | 0 | 0 | 113.2 | G103 | E101-G103 PolarHBondContact O-N 3.48Å; E101-G103 VanDerWaalsContact O-N 3.08Å |
| 102 | D | 91.5 | Very high | 89.7 | Confident | 121 Ų | 121 | 64.6 Ų | 64.6 | 65% | 0.647 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 3.6 | 174.3 | -64.6 | -61.9 | 0 | 0 | 0 | 114.6 | P79 G100 E104 | P79-D102 WeakPolarHBondContact CB-O 3.47Å; G100-D102 VanDerWaalsContact C-N 3.3Å; G100-D102 PolarHBondContact O-N 3.04Å; D102-E104 HydrophobicContact CB-CG 4.22Å; D102-E104 PolarHBondContact O-N 2.74Å |
| 103 | G | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 70.3 | 14.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V71 T99 G100 E101 | V71-G103 PolarHBondContact N-O 2.64Å; T99-G103 VanDerWaalsContact CG2-O 3.29Å; T99-G103 WeakPolarHBondContact CG2-O 2.98Å; G100-G103 WeakPolarHBondContact O-CA 3.4Å; G100-G103 PolarHBondContact O-N 2.95Å; E101-G103 PolarHBondContact O-N 3.48Å; E101-G103 VanDerWaalsContact O-N 3.08Å |
| 104 | E | 95 | Very high | 88.9 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 149 | -177.1 | -62.2 | -165.3 | 137.8 | 0 | 0 | 112.4 | K68 V69 L70 T99 G100 D102 | K68-E104 WeakPolarHBondContact CE-OE1 3.33Å; K68-E104 WeakPolarHBondContact CE-OE2 3.44Å; K68-E104 IonicContact NZ-OE1 3.82Å; K68-E104 PolarHBondContact NZ-OE1 2.94Å; K68-E104 IonicContact NZ-OE2 2.7Å; K68-E104 PolarHBondContact NZ-OE2 2.88Å; V69-E104 CarbonylContact O-C 3.58Å; V69-E104 WeakPolarHBondContact O-CA 3.2Å; L70-E104 HydrophobicContact CB-CG 4.43Å; L70-E104 HydrophobicContact CD1-CG 3.63Å; T99-E104 WeakPolarHBondContact CA-O 3.38Å; G100-E104 PolarHBondContact N-O 2.92Å; D102-E104 HydrophobicContact CB-CG 4.22Å; D102-E104 PolarHBondContact O-N 2.74Å |
| 105 | V | 95.2 | Very high | 88.6 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 11% | 0.109 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.8 | 170.9 | 66.7 | 0 | 0 | 0 | 0 | 110.3 | V69 V85 A97 Q98 T99 L107 | V69-V105 HydrophobicContact CB-CG1 3.89Å; V69-V105 PolarHBondContact N-O 2.57Å; V69-V105 PolarHBondContact O-N 2.96Å; V85-V105 HydrophobicContact CB-CG1 4.12Å; V85-V105 HydrophobicContact CG2-CG1 3.82Å; A97-V105 HydrophobicContact CB-CG2 3.57Å; Q98-V105 WeakPolarHBondContact O-CG2 3.35Å; T99-V105 HydrophobicContact CG2-CB 4.16Å; T99-V105 HydrophobicContact CG2-CG1 4.09Å; V105-L107 HydrophobicContact CG1-CD1 4.4Å |
| 106 | L | 94.1 | Very high | 88.3 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.3 | 174.8 | -171.4 | 70.2 | 0 | 0 | 0 | 109.4 | K68 | K68-L106 HydrophobicContact CB-CD1 4.22Å |
| 107 | L | 91.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.9 | -177.4 | -73.8 | 161.7 | 0 | 0 | 0 | 110.5 | L67 V69 V85 V87 A97 V105 V109 | L67-L107 HydrophobicContact CB-CB 4.34Å; L67-L107 PolarHBondContact N-O 2.96Å; L67-L107 PolarHBondContact O-N 3.42Å; V69-L107 HydrophobicContact CG2-CD1 3.98Å; V85-L107 HydrophobicContact CB-CD1 4.19Å; V85-L107 HydrophobicContact CG1-CD1 3.63Å; V87-L107 HydrophobicContact CG2-CD1 3.75Å; V87-L107 HydrophobicContact CG2-CD2 4.12Å; V87-L107 HydrophobicContact CG2-CG 4.45Å; A97-L107 HydrophobicContact CB-CD2 3.72Å; V105-L107 HydrophobicContact CG1-CD1 4.4Å; L107-V109 HydrophobicContact CB-CG2 4.1Å |
| 108 | W | 90.2 | Very high | 87.8 | Confident | 151 Ų | 151 | 59.1 Ų | 59.1 | 57% | 0.572 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 114.2 | 167.1 | -68.6 | 100.8 | 0 | 0 | 0 | 108.8 | ||
| 109 | V | 88.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.9 | -172.2 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | Q64 F65 L67 V87 L89 L107 Y111 L117 | Q64-V109 CarbonylContact C-O 3.58Å; Q64-V109 VanDerWaalsContact CA-O 3.26Å; Q64-V109 WeakPolarHBondContact CA-O 3.34Å; F65-V109 HydrophobicContact CD1-CB 4.22Å; F65-V109 WeakPolarHBondContact CD1-O 3.28Å; F65-V109 HydrophobicContact CE1-CB 3.57Å; F65-V109 HydrophobicContact CE1-CG1 3.65Å; F65-V109 WeakPolarHBondContact CE1-O 3.5Å; F65-V109 HydrophobicContact CE2-CB 4.4Å; F65-V109 HydrophobicContact CZ-CB 3.65Å; F65-V109 HydrophobicContact CZ-CG1 3.84Å; F65-V109 HydrophobicContact CZ-CG2 4.32Å; F65-V109 PolarHBondContact N-O 2.63Å; F65-V109 PolarHBondContact O-N 2.89Å; L67-V109 HydrophobicContact CB-CG2 4.14Å; L67-V109 HydrophobicContact CD2-CG2 3.98Å; V87-V109 HydrophobicContact CG1-CG1 4.13Å; V87-V109 HydrophobicContact CG1-CG2 4.16Å; L89-V109 HydrophobicContact CD1-CG1 4.39Å; L107-V109 HydrophobicContact CB-CG2 4.1Å; V109-Y111 PolarHBondContact O-N 2.79Å; V109-L117 HydrophobicContact CG1-CD1 3.66Å; V109-L117 HydrophobicContact CG1-CD2 3.93Å; V109-L117 HydrophobicContact CG1-CG 4.49Å |
| 110 | P | 87 | Confident | 87.5 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123.9 | 176.3 | 26 | -31.9 | 0 | 0 | 0 | 111.1 | E62 Q64 L89 N112 | E62-P110 HydrophobicContact CG-CB 3.7Å; E62-P110 WeakPolarHBondContact OE1-CB 3.13Å; Q64-P110 HydrophobicContact CG-CB 4.31Å; L89-P110 HydrophobicContact CD1-CG 4.09Å; L89-P110 HydrophobicContact CD2-CG 3.91Å; P110-N112 PolarHBondContact O-N 2.7Å |
| 111 | Y | 84.2 | Confident | 87.4 | Confident | 35 Ų | 35 | 50 Ų | 50 | 14% | 0.137 | 28% | 0.278 | C | S | . | . | trans | -83.4 | 109.4 | 172.7 | 175.7 | -96.1 | 0 | 0 | 0 | 110.4 | A63 V109 P113 T135 T136 K137 R138 | A63-Y111 WeakPolarHBondContact O-CB 3.44Å; A63-Y111 PolarHBondContact O-N 3.4Å; A63-Y111 VanDerWaalsContact O-N 3.11Å; V109-Y111 PolarHBondContact O-N 2.79Å; Y111-P113 HydrophobicContact CE1-CB 3.97Å; Y111-P113 HydrophobicContact CE1-CG 4.24Å; Y111-T135 HydrophobicContact CD2-CG2 4.44Å; Y111-T135 HydrophobicContact CE2-CG2 4.08Å; Y111-T136 VanDerWaalsContact OH-C 3.22Å; Y111-T136 PolarHBondContact OH-O 3.23Å; Y111-K137 VanDerWaalsContact CE2-C 3.46Å; Y111-K137 WeakPolarHBondContact OH-CA 3.41Å; Y111-K137 PolarHBondContact OH-N 3.03Å; Y111-R138 HydrophobicContact CD1-CB 3.71Å; Y111-R138 HydrophobicContact CD1-CG 4.27Å; Y111-R138 HydrophobicContact CD2-CB 4.11Å; Y111-R138 HydrophobicContact CE1-CB 3.95Å; Y111-R138 HydrophobicContact CE2-CB 4.33Å; Y111-R138 HydrophobicContact CG-CB 3.78Å; Y111-R138 HydrophobicContact CG-CG 4.05Å; Y111-R138 VanDerWaalsContact CZ-N 3.35Å | ||
| 112 | N | 81.8 | Confident | 87.5 | Confident | 61 Ų | 61 | 43.9 Ų | 43.9 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | trans | -114.6 | 109.8 | 171 | -75.8 | -64.5 | 0 | 0 | 0 | 108.9 | E62 P110 G114 V115 | E62-N112 PolarHBondContact OE1-ND2 3.27Å; P110-N112 PolarHBondContact O-N 2.7Å; N112-G114 PolarHBondContact O-N 3.09Å; N112-V115 HydrophobicContact CB-CB 4Å; N112-V115 HydrophobicContact CB-CG2 3.7Å; N112-V115 WeakPolarHBondContact O-CB 3.38Å; N112-V115 PolarHBondContact O-N 2.88Å; N112-V115 VanDerWaalsContact O-N 3.15Å | ||
| 113 | P | 76.2 | Confident | 87.6 | Confident | 96 Ų | 96 | 40.7 Ų | 40.7 | 62% | 0.623 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 132 | -174.6 | 25.9 | -33.6 | 0 | 0 | 0 | 111.4 | Y111 V115 | Y111-P113 HydrophobicContact CE1-CB 3.97Å; Y111-P113 HydrophobicContact CE1-CG 4.24Å; P113-V115 VanDerWaalsContact C-N 3.31Å |
| 114 | G | 72.6 | Confident | 87.5 | Confident | 87 Ų | 87 | 48 Ų | 48 | 90% | 0.897 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -3.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | N112 | N112-G114 PolarHBondContact O-N 3.09Š|
| 115 | V | 77.7 | Confident | 87.2 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 37% | 0.37 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 135.3 | 170.2 | 173.7 | 0 | 0 | 0 | 0 | 110 | L89 N90 N112 P113 | L89-V115 HydrophobicContact CB-CG1 3.99Å; L89-V115 HydrophobicContact CD2-CG1 4.13Å; L89-V115 HydrophobicContact CG-CG1 4.22Å; N90-V115 HydrophobicContact CB-CG1 4.04Å; N112-V115 HydrophobicContact CB-CB 4Å; N112-V115 HydrophobicContact CB-CG2 3.7Å; N112-V115 WeakPolarHBondContact O-CB 3.38Å; N112-V115 PolarHBondContact O-N 2.88Å; N112-V115 VanDerWaalsContact O-N 3.15Å; P113-V115 VanDerWaalsContact C-N 3.31Å |
| 116 | S | 77.5 | Confident | 87.1 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 129.5 | 169.7 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | N90 | N90-S116 PolarHBondContact N-O 3.01Š|
| 117 | L | 85.9 | Confident | 87 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 146.4 | 164 | -162.4 | 75.9 | 0 | 0 | 0 | 109.1 | V87 Y88 L89 V109 L119 W133 | V87-L117 HydrophobicContact CG1-CD1 3.72Å; V87-L117 HydrophobicContact CG1-CG 4.43Å; Y88-L117 CarbonylContact O-C 3.58Å; Y88-L117 WeakPolarHBondContact O-CA 3.28Å; L89-L117 HydrophobicContact CD1-CD1 3.35Å; L89-L117 HydrophobicContact CG-CD1 3.69Å; V109-L117 HydrophobicContact CG1-CD1 3.66Å; V109-L117 HydrophobicContact CG1-CD2 3.93Å; V109-L117 HydrophobicContact CG1-CG 4.49Å; L117-L119 HydrophobicContact CD2-CD2 4.01Å; L117-L119 HydrophobicContact CD2-CG 4.34Å; L117-W133 HydrophobicContact CB-CB 4.3Å; L117-W133 HydrophobicContact CB-CE3 3.9Å; L117-W133 WeakPolarHBondContact CB-O 3.47Å; L117-W133 HydrophobicContact CD2-CB 4.37Å; L117-W133 HydrophobicContact CD2-CD2 4.15Å; L117-W133 HydrophobicContact CD2-CE3 3.39Å; L117-W133 HydrophobicContact CD2-CZ3 3.93Å; L117-W133 HydrophobicContact CG-CE3 4.26Å; L117-W133 PolarHBondContact N-O 3.32Å; L117-W133 PolarHBondContact O-N 3.41Å |
| 118 | T | 87.6 | Confident | 87 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.2 | 162.9 | -61.4 | 0 | 0 | 0 | 0 | 109 | Y88 P130 | Y88-T118 PolarHBondContact N-O 2.79Å; Y88-T118 PolarHBondContact O-N 3.21Å; T118-P130 HydrophobicContact CG2-CB 3.97Å |
| 119 | L | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.7 | 174.4 | -57.9 | 171.2 | 0 | 0 | 0 | 107.3 | L67 V87 L117 L131 V144 | L67-L119 HydrophobicContact CD2-CD1 3.76Å; L67-L119 HydrophobicContact CD2-CD2 3.57Å; L67-L119 HydrophobicContact CD2-CG 4.3Å; V87-L119 HydrophobicContact CG1-CD2 4.32Å; V87-L119 HydrophobicContact CG2-CD2 4.07Å; L117-L119 HydrophobicContact CD2-CD2 4.01Å; L117-L119 HydrophobicContact CD2-CG 4.34Å; L119-L131 PolarHBondContact N-O 3.37Å; L119-L131 PolarHBondContact O-N 3.22Å; L119-V144 HydrophobicContact CD1-CG1 4.32Å |
| 120 | L | 92.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.5 | 176 | 173.6 | 58.6 | 0 | 0 | 0 | 108.8 | V85 D86 Y88 P128 P130 F276 L278 | V85-L120 WeakPolarHBondContact CA-O 3.41Å; D86-L120 HydrophobicContact CB-CB 4.25Å; D86-L120 PolarHBondContact N-O 3.35Å; D86-L120 PolarHBondContact O-N 2.89Å; Y88-L120 HydrophobicContact CD2-CB 4.38Å; Y88-L120 HydrophobicContact CE2-CB 3.82Å; Y88-L120 HydrophobicContact CE2-CD2 4.01Å; L120-P128 HydrophobicContact CD1-CB 3.96Å; L120-P130 HydrophobicContact CD1-CB 4.46Å; L120-F276 HydrophobicContact CD1-CE1 3.66Å; L120-F276 HydrophobicContact CD1-CZ 3.76Å; L120-F276 HydrophobicContact CD2-CE1 3.86Å; L120-F276 HydrophobicContact CD2-CZ 4.06Å; L120-F276 HydrophobicContact CG-CE1 4.41Å; L120-F276 HydrophobicContact CG-CZ 4.46Å; L120-L278 HydrophobicContact CD2-CD2 3.96Å |
| 121 | G | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | T129 L148 | G121-T129 PolarHBondContact N-O 3.33Å; G121-T129 VanDerWaalsContact N-O 3.07Å; G121-T129 PolarHBondContact O-N 2.85Å; G121-L148 WeakPolarHBondContact O-CD2 3.32Å |
| 122 | N | 93.1 | Very high | 86.9 | Confident | 52 Ų | 52 | 38.2 Ų | 38.2 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.8 | -179 | 172.7 | 52 | 0 | 0 | 0 | 111 | A83 S84 | A83-N122 CarbonylContact C-O 3.57Å; A83-N122 WeakPolarHBondContact CA-O 3.47Å; S84-N122 PolarHBondContact N-O 3.01Å; S84-N122 PolarHBondContact O-N 2.88Å |
| 123 | K | 93.1 | Very high | 86.7 | Confident | 55 Ų | 55 | 37.8 Ų | 37.8 | 24% | 0.239 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 142.9 | 177 | -175.9 | 169.9 | 174.8 | 167.7 | 0 | 109.7 | L80 A81 A83 G125 Y126 L148 | L80-K123 HydrophobicContact CB-CD 4.29Å; A81-K123 PolarHBondContact O-NZ 2.83Å; A83-K123 HydrophobicContact CB-CB 4.04Å; A83-K123 HydrophobicContact CB-CD 4.11Å; A83-K123 HydrophobicContact CB-CG 4.47Å; K123-G125 PolarHBondContact O-N 3.17Å; K123-Y126 HydrophobicContact CB-CD2 4.1Å; K123-Y126 HydrophobicContact CB-CG 4.5Å; K123-Y126 HydrophobicContact CD-CD2 4.09Å; K123-Y126 HydrophobicContact CD-CE2 4.21Å; K123-Y126 HydrophobicContact CG-CD2 4.02Å; K123-Y126 PolarHBondContact O-N 2.82Å; K123-L148 HydrophobicContact CB-CD1 3.94Å |
| 124 | E | 90.2 | Very high | 86.7 | Confident | 154 Ų | 154 | 38.2 Ų | 38.2 | 72% | 0.72 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 134.6 | 173.7 | -171.2 | 176.4 | -175.5 | 0 | 0 | 111.4 | Y126 | E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 WeakPolarHBondContact O-CD2 3.48Å |
| 125 | G | 89.6 | Confident | 86.6 | Confident | 35 Ų | 35 | 36.5 Ų | 36.5 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 6 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | K123 P150 H151 | K123-G125 PolarHBondContact O-N 3.17Å; G125-P150 WeakPolarHBondContact O-CA 3.45Å; G125-H151 VanDerWaalsContact C-ND1 3.26Å; G125-H151 PolarHBondContact O-N 2.87Å |
| 126 | Y | 92.7 | Very high | 86.6 | Confident | 38 Ų | 38 | 39.9 Ų | 39.9 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.2 | 176.2 | -67.3 | -99.8 | 0 | 0 | 0 | 112.5 | D73 L80 K123 E124 P128 L148 L149 P150 H151 | D73-Y126 HydrophobicContact CB-CE1 4.28Å; L80-Y126 HydrophobicContact CD1-CD1 4.02Å; L80-Y126 HydrophobicContact CD1-CE1 3.71Å; L80-Y126 HydrophobicContact CD1-CE2 4.39Å; L80-Y126 HydrophobicContact CD1-CG 4.49Å; L80-Y126 HydrophobicContact CD2-CE1 4.23Å; L80-Y126 HydrophobicContact CD2-CE2 4.17Å; L80-Y126 WeakPolarHBondContact CD2-OH 3.49Å; K123-Y126 HydrophobicContact CB-CD2 4.1Å; K123-Y126 HydrophobicContact CB-CG 4.5Å; K123-Y126 HydrophobicContact CD-CD2 4.09Å; K123-Y126 HydrophobicContact CD-CE2 4.21Å; K123-Y126 HydrophobicContact CG-CD2 4.02Å; K123-Y126 PolarHBondContact O-N 2.82Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 WeakPolarHBondContact O-CD2 3.48Å; Y126-P128 WeakPolarHBondContact O-CD 3.29Å; Y126-L148 HydrophobicContact CD1-CB 3.59Å; Y126-L148 HydrophobicContact CE1-CB 4.48Å; Y126-L148 HydrophobicContact CG-CB 4.04Å; Y126-L148 HydrophobicContact CG-CD1 4.5Å; Y126-L149 CarbonylContact C-O 3.46Å; Y126-L149 WeakPolarHBondContact CA-O 3.48Å; Y126-P150 HydrophobicContact CD1-CB 4.02Å; Y126-P150 HydrophobicContact CE1-CB 3.76Å; Y126-P150 HydrophobicContact CE1-CG 4.27Å; Y126-H151 VanDerWaalsContact C-ND1 3.27Å; Y126-H151 PolarHBondContact N-ND1 2.88Å; Y126-H151 PolarHBondContact O-CE1 2.87Å; Y126-H151 PolarHBondContact O-ND1 3.5Å |
| 127 | V | 92.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.9 | 176.2 | -178.1 | 0 | 0 | 0 | 0 | 110 | T129 L149 T201 P203 Y309 | V127-T129 PolarHBondContact O-N 2.88Å; V127-T129 PolarHBondContact O-OG1 2.9Å; V127-L149 HydrophobicContact CB-CB 4.38Å; V127-L149 HydrophobicContact CG2-CB 4.4Å; V127-L149 HydrophobicContact CG2-CD2 4.26Å; V127-L149 HydrophobicContact CG2-CG 4.36Å; V127-L149 PolarHBondContact N-O 2.88Å; V127-T201 HydrophobicContact CG2-CG2 3.81Å; V127-P203 HydrophobicContact CG1-CG 4.27Å; V127-Y309 HydrophobicContact CG1-CD1 4.08Å; V127-Y309 HydrophobicContact CG1-CD2 4.46Å; V127-Y309 HydrophobicContact CG1-CE1 3.72Å; V127-Y309 HydrophobicContact CG1-CE2 4.15Å; V127-Y309 HydrophobicContact CG1-CG 4.44Å |
| 128 | P | 91 | Very high | 86.6 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 123.2 | 176.1 | -23.8 | 33.5 | 0 | 0 | 0 | 111.1 | L120 Y126 P130 F276 L278 Y309 | L120-P128 HydrophobicContact CD1-CB 3.96Å; Y126-P128 WeakPolarHBondContact O-CD 3.29Å; P128-P130 WeakPolarHBondContact O-CD 3.47Å; P128-F276 HydrophobicContact CB-CE1 4.34Å; P128-L278 HydrophobicContact CB-CD2 3.99Å; P128-L278 HydrophobicContact CG-CD2 4.12Å; P128-Y309 WeakPolarHBondContact O-CE1 3.41Å |
| 129 | T | 88.9 | Confident | 86.3 | Confident | 26 Ų | 26 | 52.3 Ų | 52.3 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 101.9 | -169.8 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | G121 V127 | G121-T129 PolarHBondContact N-O 3.33Å; G121-T129 VanDerWaalsContact N-O 3.07Å; G121-T129 PolarHBondContact O-N 2.85Å; V127-T129 PolarHBondContact O-N 2.88Å; V127-T129 PolarHBondContact O-OG1 2.9Å |
| 130 | P | 88.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.8 | 173.6 | 31 | -33.6 | 0 | 0 | 0 | 111.3 | T118 L120 P128 T215 F276 | T118-P130 HydrophobicContact CG2-CB 3.97Å; L120-P130 HydrophobicContact CD1-CB 4.46Å; P128-P130 WeakPolarHBondContact O-CD 3.47Å; P130-T215 HydrophobicContact CG-CG2 4.17Å; P130-F276 HydrophobicContact CB-CE2 3.7Å; P130-F276 HydrophobicContact CB-CZ 3.75Å; P130-F276 HydrophobicContact CG-CD2 4.18Å; P130-F276 HydrophobicContact CG-CE2 3.58Å; P130-F276 HydrophobicContact CG-CZ 3.88Å |
| 131 | L | 86.5 | Confident | 85.4 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 109.1 | 169.3 | 179.1 | 63.7 | 0 | 0 | 0 | 109.3 | L119 V144 L146 N213 | L119-L131 PolarHBondContact N-O 3.37Å; L119-L131 PolarHBondContact O-N 3.22Å; L131-V144 HydrophobicContact CD2-CG1 3.39Å; L131-L146 HydrophobicContact CB-CD2 3.59Å; L131-L146 HydrophobicContact CD2-CD2 3.65Å; L131-L146 HydrophobicContact CG-CD2 4.28Å; L131-N213 HydrophobicContact CD1-CB 4.47Å |
| 132 | P | 83.4 | Confident | 85.1 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 146.5 | 169.9 | 27 | -32.8 | 0 | 0 | 0 | 110.8 | P216 | P132-P216 HydrophobicContact CB-CG 4.21Å |
| 133 | W | 78.4 | Confident | 85 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 20% | 0.197 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 133.7 | 174.6 | -174.3 | 80.4 | 0 | 0 | 0 | 110.4 | F65 L117 T135 P139 | F65-W133 HydrophobicContact CD2-CH2 4.44Å; F65-W133 AromaticContact CE1-CH2 3.74Å; F65-W133 HydrophobicContact CE1-CH2 3.74Å; F65-W133 AromaticContact CE1-CZ3 3.75Å; F65-W133 HydrophobicContact CE1-CZ3 3.75Å; F65-W133 AromaticContact CE2-CH2 3.53Å; F65-W133 HydrophobicContact CE2-CH2 3.53Å; F65-W133 HydrophobicContact CE2-CZ2 4.14Å; F65-W133 HydrophobicContact CE2-CZ3 4.14Å; F65-W133 HydrophobicContact CZ-CE3 4.32Å; F65-W133 AromaticContact CZ-CH2 3.12Å; F65-W133 HydrophobicContact CZ-CH2 3.12Å; F65-W133 HydrophobicContact CZ-CZ2 4.1Å; F65-W133 AromaticContact CZ-CZ3 3.29Å; F65-W133 HydrophobicContact CZ-CZ3 3.29Å; L117-W133 HydrophobicContact CB-CB 4.3Å; L117-W133 HydrophobicContact CB-CE3 3.9Å; L117-W133 WeakPolarHBondContact CB-O 3.47Å; L117-W133 HydrophobicContact CD2-CB 4.37Å; L117-W133 HydrophobicContact CD2-CD2 4.15Å; L117-W133 HydrophobicContact CD2-CE3 3.39Å; L117-W133 HydrophobicContact CD2-CZ3 3.93Å; L117-W133 HydrophobicContact CG-CE3 4.26Å; L117-W133 PolarHBondContact N-O 3.32Å; L117-W133 PolarHBondContact O-N 3.41Å; W133-T135 HydrophobicContact CE3-CG2 4.2Å; W133-T135 HydrophobicContact CH2-CG2 3.31Å; W133-T135 HydrophobicContact CZ2-CG2 3.64Å; W133-T135 HydrophobicContact CZ3-CG2 3.61Å; W133-P139 HydrophobicContact CH2-CG 3.83Å; W133-P139 HydrophobicContact CZ2-CG 4.06Å |
| 134 | S | 75.6 | Confident | 84.9 | Confident | 106 Ų | 106 | 65.9 Ų | 65.9 | 74% | 0.741 | 36% | 0.356 | S | S | * | . | trans | -140.7 | 139.9 | 177 | 64.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 135 | T | 72.3 | Confident | 85 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | trans | -147.2 | 142.4 | 173.4 | 170.7 | 0 | 0 | 0 | 0 | 110 | Y111 W133 K137 | Y111-T135 HydrophobicContact CD2-CG2 4.44Å; Y111-T135 HydrophobicContact CE2-CG2 4.08Å; W133-T135 HydrophobicContact CE3-CG2 4.2Å; W133-T135 HydrophobicContact CH2-CG2 3.31Å; W133-T135 HydrophobicContact CZ2-CG2 3.64Å; W133-T135 HydrophobicContact CZ3-CG2 3.61Å; T135-K137 VanDerWaalsContact C-N 3.33Å; T135-K137 WeakPolarHBondContact CG2-O 3.38Å; T135-K137 PolarHBondContact OG1-N 3Å; T135-K137 PolarHBondContact OG1-O 3.47Å | ||
| 136 | T | 75.9 | Confident | 85.1 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 81% | 0.81 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -86.2 | -6.3 | 179.3 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | Y111 | Y111-T136 VanDerWaalsContact OH-C 3.22Å; Y111-T136 PolarHBondContact OH-O 3.23Å |
| 137 | K | 80.7 | Confident | 85 | Confident | 143 Ų | 143 | 61.1 Ų | 61.1 | 62% | 0.622 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -135.7 | 146.8 | 177.7 | -62.8 | -179.4 | -179.1 | 178.3 | 0 | 109.9 | Y111 T135 P139 | Y111-K137 VanDerWaalsContact CE2-C 3.46Å; Y111-K137 WeakPolarHBondContact OH-CA 3.41Å; Y111-K137 PolarHBondContact OH-N 3.03Å; T135-K137 VanDerWaalsContact C-N 3.33Å; T135-K137 WeakPolarHBondContact CG2-O 3.38Å; T135-K137 PolarHBondContact OG1-N 3Å; T135-K137 PolarHBondContact OG1-O 3.47Å; K137-P139 WeakPolarHBondContact O-CD 3.29Å |
| 138 | R | 82.6 | Confident | 85 | Confident | 138 Ų | 138 | 61.1 Ų | 61.1 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | trans | -65.6 | 119.1 | 171.3 | -179.2 | 172.5 | 170.5 | -152.2 | 1.6 | 108.8 | A63 Q64 F65 Y111 | A63-R138 PolarHBondContact O-NE 2.73Å; A63-R138 VanDerWaalsContact O-NE 3.17Å; Q64-R138 PolarHBondContact O-NE 3.4Å; Q64-R138 PolarHBondContact O-NH2 2.92Å; F65-R138 HydrophobicContact CB-CG 4.5Å; Y111-R138 HydrophobicContact CD1-CB 3.71Å; Y111-R138 HydrophobicContact CD1-CG 4.27Å; Y111-R138 HydrophobicContact CD2-CB 4.11Å; Y111-R138 HydrophobicContact CE1-CB 3.95Å; Y111-R138 HydrophobicContact CE2-CB 4.33Å; Y111-R138 HydrophobicContact CG-CB 3.78Å; Y111-R138 HydrophobicContact CG-CG 4.05Å; Y111-R138 VanDerWaalsContact CZ-N 3.35Å | ||
| 139 | P | 81.9 | Confident | 85.1 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -72.3 | 151.8 | 170.5 | 33.2 | -35.1 | 0 | 0 | 0 | 109.5 | F65 W133 K137 | F65-P139 HydrophobicContact CB-CG 4.26Å; F65-P139 WeakPolarHBondContact CB-O 3.36Å; F65-P139 HydrophobicContact CD1-CG 4.37Å; F65-P139 HydrophobicContact CD2-CG 3.52Å; F65-P139 HydrophobicContact CE2-CG 3.91Å; F65-P139 HydrophobicContact CG-CG 3.79Å; W133-P139 HydrophobicContact CH2-CG 3.83Å; W133-P139 HydrophobicContact CZ2-CG 4.06Å; K137-P139 WeakPolarHBondContact O-CD 3.29Å | ||
| 140 | I | 81.4 | Confident | 85.3 | Confident | 167 Ų | 167 | 62.8 Ų | 62.8 | 86% | 0.856 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -79.5 | -38.8 | 173.8 | -60.3 | 172 | 0 | 0 | 0 | 109.8 | ||
| 141 | F | 83.1 | Confident | 85.5 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.1 | 171.7 | 171.8 | -103.1 | 0 | 0 | 0 | 107.8 | K68 A143 | K68-F141 HydrophobicContact CB-CE2 3.92Å; K68-F141 HydrophobicContact CB-CZ 3.76Å; K68-F141 HydrophobicContact CD-CZ 4.36Å; F141-A143 HydrophobicContact CE1-CB 3.87Å; F141-A143 HydrophobicContact CZ-CB 4.11Å |
| 142 | S | 87.1 | Confident | 85.7 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.5 | 172.3 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | S66 L67 K68 | S66-S142 PolarHBondContact O-N 3.46Å; L67-S142 CarbonylContact C-O 3.5Å; L67-S142 WeakPolarHBondContact CA-O 3.47Å; K68-S142 PolarHBondContact N-O 3.43Å |
| 143 | A | 90.8 | Very high | 86.1 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 55% | 0.554 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | K68 F141 | K68-A143 HydrophobicContact CB-CB 4.37Å; K68-A143 CarbonylContact O-C 3.55Å; K68-A143 VanDerWaalsContact O-CA 3.32Å; K68-A143 WeakPolarHBondContact O-CA 3.37Å; F141-A143 HydrophobicContact CE1-CB 3.87Å; F141-A143 HydrophobicContact CZ-CB 4.11Å |
| 144 | V | 90.8 | Very high | 86.7 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 138.4 | -173.2 | 173.3 | 0 | 0 | 0 | 0 | 109.6 | L67 K68 V69 L70 L119 L131 | L67-V144 HydrophobicContact CD1-CB 4.41Å; L67-V144 HydrophobicContact CD1-CG2 3.87Å; K68-V144 PolarHBondContact O-N 3.48Å; V69-V144 WeakPolarHBondContact CA-O 3.33Å; L70-V144 PolarHBondContact N-O 3.27Å; L119-V144 HydrophobicContact CD1-CG1 4.32Å; L131-V144 HydrophobicContact CD2-CG1 3.39Å |
| 145 | T | 91.8 | Very high | 87.4 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.7 | 171.3 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | L70 L147 | L70-T145 HydrophobicContact CG-CG2 4.42Å; L70-T145 CarbonylContact O-C 3.55Å; L70-T145 VanDerWaalsContact O-CA 3.26Å; L70-T145 WeakPolarHBondContact O-CA 3.19Å; T145-L147 HydrophobicContact CG2-CD2 4.04Å; T145-L147 HydrophobicContact CG2-CG 4.4Å |
| 146 | L | 91.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.4 | 169.4 | -68 | 177.4 | 0 | 0 | 0 | 109.3 | V69 L70 V71 R72 V85 L131 | V69-L146 HydrophobicContact CG1-CB 4.46Å; V69-L146 HydrophobicContact CG1-CD1 3.58Å; V69-L146 HydrophobicContact CG1-CG 3.75Å; L70-L146 PolarHBondContact O-N 3.2Å; V71-L146 WeakPolarHBondContact CA-O 3.5Å; V71-L146 HydrophobicContact CG2-CB 4.32Å; V71-L146 HydrophobicContact CG2-CD1 4.39Å; R72-L146 PolarHBondContact N-O 3.08Å; V85-L146 HydrophobicContact CG1-CD1 4.12Å; V85-L146 HydrophobicContact CG2-CD1 4.34Å; L131-L146 HydrophobicContact CB-CD2 3.59Å; L131-L146 HydrophobicContact CD2-CD2 3.65Å; L131-L146 HydrophobicContact CG-CD2 4.28Å |
| 147 | L | 91.4 | Very high | 89.1 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 107.3 | -179.2 | -63.7 | 172.6 | 0 | 0 | 0 | 109.2 | R72 L74 T145 | R72-L147 HydrophobicContact CB-CD2 4.09Å; R72-L147 CarbonylContact O-C 3.57Å; R72-L147 WeakPolarHBondContact O-CA 3.26Å; L74-L147 HydrophobicContact CB-CB 4.22Å; L74-L147 HydrophobicContact CD1-CB 3.9Å; L74-L147 HydrophobicContact CD1-CD1 3.93Å; L74-L147 HydrophobicContact CD1-CG 4.45Å; T145-L147 HydrophobicContact CG2-CD2 4.04Å; T145-L147 HydrophobicContact CG2-CG 4.4Å |
| 148 | L | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.7 | -179.8 | -58.7 | -172 | 0 | 0 | 0 | 110.6 | V71 R72 L74 L80 A83 G121 K123 Y126 P150 | V71-L148 HydrophobicContact CG1-CD1 3.63Å; V71-L148 HydrophobicContact CG1-CG 3.75Å; R72-L148 PolarHBondContact O-N 3.44Å; L74-L148 WeakPolarHBondContact CB-O 3.39Å; L74-L148 PolarHBondContact N-O 3.2Å; L80-L148 HydrophobicContact CD1-CB 3.95Å; L80-L148 HydrophobicContact CD1-CD1 4Å; L80-L148 HydrophobicContact CD1-CG 4.24Å; A83-L148 HydrophobicContact CB-CD1 4.4Å; G121-L148 WeakPolarHBondContact O-CD2 3.32Å; K123-L148 HydrophobicContact CB-CD1 3.94Å; Y126-L148 HydrophobicContact CD1-CB 3.59Å; Y126-L148 HydrophobicContact CE1-CB 4.48Å; Y126-L148 HydrophobicContact CG-CB 4.04Å; Y126-L148 HydrophobicContact CG-CD1 4.5Å; L148-P150 WeakPolarHBondContact O-CD 3.46Å |
| 149 | L | 92.3 | Very high | 89.9 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 119.3 | 173.7 | 175 | 65.9 | 0 | 0 | 0 | 109.5 | L74 Y126 V127 T201 P203 | L74-L149 HydrophobicContact CD2-CB 4.04Å; L74-L149 HydrophobicContact CD2-CD1 4.11Å; Y126-L149 CarbonylContact C-O 3.46Å; Y126-L149 WeakPolarHBondContact CA-O 3.48Å; V127-L149 HydrophobicContact CB-CB 4.38Å; V127-L149 HydrophobicContact CG2-CB 4.4Å; V127-L149 HydrophobicContact CG2-CD2 4.26Å; V127-L149 HydrophobicContact CG2-CG 4.36Å; V127-L149 PolarHBondContact N-O 2.88Å; L149-T201 HydrophobicContact CD2-CG2 3.67Å; L149-T201 HydrophobicContact CG-CG2 4.13Å; L149-P203 HydrophobicContact CD2-CB 3.65Å; L149-P203 HydrophobicContact CD2-CG 3.84Å |
| 150 | P | 92.7 | Very high | 90.2 | Very high | 39 Ų | 39 | 64.6 Ų | 64.6 | 25% | 0.253 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -62.4 | 144.7 | 172.9 | 24.2 | -33.7 | 0 | 0 | 0 | 111.6 | V75 G125 Y126 L148 S152 | V75-P150 HydrophobicContact CG2-CG 4.03Å; G125-P150 WeakPolarHBondContact O-CA 3.45Å; Y126-P150 HydrophobicContact CD1-CB 4.02Å; Y126-P150 HydrophobicContact CE1-CB 3.76Å; Y126-P150 HydrophobicContact CE1-CG 4.27Å; L148-P150 WeakPolarHBondContact O-CD 3.46Å; P150-S152 PolarHBondContact O-N 2.82Å |
| 151 | H | 92.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 12% | 0.12 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 128.7 | 178.1 | -79.2 | 111.9 | 0 | 0 | 0 | 111.8 | G125 Y126 Y199 T201 S237 Q239 | G125-H151 VanDerWaalsContact C-ND1 3.26Å; G125-H151 PolarHBondContact O-N 2.87Å; Y126-H151 VanDerWaalsContact C-ND1 3.27Å; Y126-H151 PolarHBondContact N-ND1 2.88Å; Y126-H151 PolarHBondContact O-CE1 2.87Å; Y126-H151 PolarHBondContact O-ND1 3.5Å; H151-Y199 HydrophobicContact CB-CD1 3.87Å; H151-Y199 HydrophobicContact CB-CG 4.25Å; H151-T201 WeakPolarHBondContact CA-OG1 3.26Å; H151-T201 PolarHBondContact CD2-OG1 3.37Å; H151-S237 WeakPolarHBondContact NE2-CB 3.25Å; H151-S237 PolarHBondContact NE2-OG 2.85Å; H151-Q239 PolarHBondContact CE1-OE1 3.02Å; H151-Q239 PolarHBondContact NE2-OE1 3.21Å |
| 152 | S | 91 | Very high | 91.1 | Very high | 39 Ų | 39 | 56 Ų | 56 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 126.1 | 168.8 | 54.9 | 0 | 0 | 0 | 0 | 111 | P150 G154 L200 T201 | P150-S152 PolarHBondContact O-N 2.82Å; S152-G154 PolarHBondContact O-N 2.97Å; S152-L200 CarbonylContact O-C 3.52Å; S152-L200 PolarHBondContact O-N 3.01Å; S152-L200 PolarHBondContact OG-O 2.83Å; S152-T201 PolarHBondContact N-OG1 3Å; S152-T201 WeakPolarHBondContact OG-CA 3.38Å; S152-T201 PolarHBondContact OG-OG1 2.83Å |
| 153 | Q | 91.7 | Very high | 91.4 | Very high | 102 Ų | 102 | 55 Ų | 55 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -57.9 | 134.2 | 171.8 | -174.2 | 178.8 | -11.8 | 0 | 0 | 110.4 | N168 M197 Y199 | Q153-N168 WeakPolarHBondContact O-CB 3.42Å; Q153-M197 HydrophobicContact CG-CE 4.47Å; Q153-Y199 HydrophobicContact CB-CD1 4.35Å; Q153-Y199 HydrophobicContact CB-CE1 4.33Å |
| 154 | G | 91.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 158.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S152 T166 A198 | S152-G154 PolarHBondContact O-N 2.97Å; G154-T166 CarbonylContact C-O 3.57Å; G154-T166 WeakPolarHBondContact CA-O 3.45Å; G154-A198 PolarHBondContact N-O 2.9Å |
| 155 | N | 91.8 | Very high | 91.7 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.8 | 171 | -66.2 | -31.5 | 0 | 0 | 0 | 108.6 | I165 T166 N168 | N155-I165 CarbonylContact O-C 3.58Å; N155-I165 WeakPolarHBondContact O-CA 3.37Å; N155-T166 PolarHBondContact N-O 3.4Å; N155-T166 PolarHBondContact O-N 3.47Å; N155-N168 PolarHBondContact ND2-OD1 2.92Å |
| 156 | I | 91.9 | Very high | 91.7 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.8 | 177.4 | -173.4 | 172.2 | 0 | 0 | 0 | 110.6 | L158 V163 I165 L196 A198 L240 | I156-L158 HydrophobicContact CD1-CD2 4.01Å; I156-L158 HydrophobicContact CG1-CD2 4.13Å; I156-L158 HydrophobicContact CG1-CG 4.41Å; I156-V163 HydrophobicContact CD1-CG1 4.14Å; I156-V163 HydrophobicContact CG1-CG1 4.08Å; I156-I165 HydrophobicContact CG1-CG1 4.44Å; I156-L196 HydrophobicContact CD1-CB 4.27Å; I156-A198 HydrophobicContact CB-CB 3.99Å; I156-A198 HydrophobicContact CD1-CB 4.43Å; I156-L240 HydrophobicContact CD1-CD1 3.75Å |
| 157 | W | 91.4 | Very high | 91.6 | Very high | 144 Ų | 144 | 52.3 Ų | 52.3 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.7 | 176.1 | -52 | 87.9 | 0 | 0 | 0 | 109 | F159 V163 L164 | W157-F159 HydrophobicContact CB-CE2 3.88Å; W157-F159 HydrophobicContact CB-CZ 4Å; W157-V163 WeakPolarHBondContact O-CA 3.22Å; W157-L164 HydrophobicContact CB-CB 4.26Å; W157-L164 PolarHBondContact N-O 2.86Å; W157-L164 PolarHBondContact O-N 2.87Å |
| 158 | L | 90.6 | Very high | 91 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 102.9 | -178.1 | -61.1 | 175.1 | 0 | 0 | 0 | 108.7 | I156 V163 L185 I193 L196 | I156-L158 HydrophobicContact CD1-CD2 4.01Å; I156-L158 HydrophobicContact CG1-CD2 4.13Å; I156-L158 HydrophobicContact CG1-CG 4.41Å; L158-V163 HydrophobicContact CD2-CB 4.44Å; L158-V163 HydrophobicContact CD2-CG1 3.98Å; L158-V163 HydrophobicContact CD2-CG2 3.89Å; L158-L185 HydrophobicContact CD2-CD1 4.28Å; L158-I193 HydrophobicContact CD1-CG2 3.27Å; L158-L196 HydrophobicContact CD1-CD1 4.17Å; L158-L196 HydrophobicContact CD2-CD1 4.43Å |
| 159 | F | 90.1 | Very high | 90 | Very high | 95 Ų | 95 | 59.1 Ų | 59.1 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | trans | -85.7 | -175.2 | 173 | -57.3 | -75.3 | 0 | 0 | 0 | 110.3 | W157 S162 L164 K182 | W157-F159 HydrophobicContact CB-CE2 3.88Å; W157-F159 HydrophobicContact CB-CZ 4Å; F159-S162 WeakPolarHBondContact CA-O 3.49Å; F159-S162 WeakPolarHBondContact CB-O 3.12Å; F159-S162 PolarHBondContact N-O 2.86Å; F159-L164 HydrophobicContact CE2-CB 3.86Å; F159-L164 HydrophobicContact CE2-CD2 4.27Å; F159-K182 WeakPolarHBondContact O-CD 3.32Å; F159-K182 PolarHBondContact O-NZ 3.45Å | ||
| 160 | E | 87.2 | Confident | 88.3 | Confident | 185 Ų | 185 | 62.9 Ų | 62.9 | 86% | 0.864 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -71.2 | -47.6 | 176.7 | -169.8 | 165 | -148.5 | 0 | 0 | 111.1 | K182 | E160-K182 WeakPolarHBondContact O-CD 3.44Š|
| 161 | D | 89.9 | Confident | 86.5 | Confident | 102 Ų | 102 | 68.3 Ų | 68.3 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -90.2 | -25.6 | -177.9 | 72.7 | -37.9 | 0 | 0 | 0 | 114.2 | K179 K182 | D161-K179 IonicContact OD2-NZ 2.71Å; D161-K182 WeakPolarHBondContact O-CB 3.39Å; D161-K182 PolarHBondContact O-N 2.87Å |
| 162 | S | 92.9 | Very high | 85.1 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.7 | -158 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | F159 K179 F180 | F159-S162 WeakPolarHBondContact CA-O 3.49Å; F159-S162 WeakPolarHBondContact CB-O 3.12Å; F159-S162 PolarHBondContact N-O 2.86Å; S162-K179 WeakPolarHBondContact OG-CE 3.39Å; S162-K179 PolarHBondContact OG-NZ 2.89Å; S162-F180 WeakPolarHBondContact CA-O 3.46Å; S162-F180 WeakPolarHBondContact CB-O 3.47Å |
| 163 | V | 93.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.2 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | I156 W157 L158 I165 K179 F180 K182 L185 | I156-V163 HydrophobicContact CD1-CG1 4.14Å; I156-V163 HydrophobicContact CG1-CG1 4.08Å; W157-V163 WeakPolarHBondContact O-CA 3.22Å; L158-V163 HydrophobicContact CD2-CB 4.44Å; L158-V163 HydrophobicContact CD2-CG1 3.98Å; L158-V163 HydrophobicContact CD2-CG2 3.89Å; V163-I165 HydrophobicContact CG1-CG1 4.41Å; V163-K179 VanDerWaalsContact O-CA 3.3Å; V163-K179 WeakPolarHBondContact O-CA 3.43Å; V163-F180 HydrophobicContact CB-CD1 4.26Å; V163-F180 HydrophobicContact CB-CD2 4.11Å; V163-F180 HydrophobicContact CB-CE1 3.89Å; V163-F180 HydrophobicContact CB-CE2 3.72Å; V163-F180 HydrophobicContact CB-CG 4.38Å; V163-F180 HydrophobicContact CB-CZ 3.6Å; V163-F180 HydrophobicContact CG1-CE1 3.75Å; V163-F180 HydrophobicContact CG1-CE2 4.16Å; V163-F180 HydrophobicContact CG1-CZ 3.54Å; V163-F180 HydrophobicContact CG2-CD2 4.28Å; V163-F180 HydrophobicContact CG2-CE2 3.73Å; V163-F180 HydrophobicContact CG2-CZ 3.98Å; V163-F180 PolarHBondContact N-O 2.91Å; V163-F180 PolarHBondContact O-N 2.86Å; V163-K182 HydrophobicContact CG2-CB 4.39Å; V163-K182 HydrophobicContact CG2-CG 4.47Å; V163-L185 HydrophobicContact CG2-CD1 3.65Å; V163-L185 HydrophobicContact CG2-CD2 4.42Å; V163-L185 HydrophobicContact CG2-CG 3.98Å |
| 164 | L | 93.8 | Very high | 83 | Confident | 38 Ų | 38 | 67 Ų | 67 | 20% | 0.199 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.1 | 172.7 | 175.1 | 71 | 0 | 0 | 0 | 108.9 | W157 F159 T166 K177 A178 K179 | W157-L164 HydrophobicContact CB-CB 4.26Å; W157-L164 PolarHBondContact N-O 2.86Å; W157-L164 PolarHBondContact O-N 2.87Å; F159-L164 HydrophobicContact CE2-CB 3.86Å; F159-L164 HydrophobicContact CE2-CD2 4.27Å; L164-T166 HydrophobicContact CD1-CG2 4.19Å; L164-T166 HydrophobicContact CD2-CG2 3.99Å; L164-T166 HydrophobicContact CG-CG2 3.81Å; L164-K177 HydrophobicContact CD1-CB 4.1Å; L164-A178 WeakPolarHBondContact CA-O 3.21Å; L164-K179 HydrophobicContact CD1-CB 4.12Å |
| 165 | I | 94.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.4 | 169.8 | -55.8 | 171.8 | 0 | 0 | 0 | 107.3 | N155 I156 V163 K177 A178 F180 A198 L200 I238 | N155-I165 CarbonylContact O-C 3.58Å; N155-I165 WeakPolarHBondContact O-CA 3.37Å; I156-I165 HydrophobicContact CG1-CG1 4.44Å; V163-I165 HydrophobicContact CG1-CG1 4.41Å; I165-K177 CarbonylContact O-C 3.58Å; I165-K177 VanDerWaalsContact O-CA 3.25Å; I165-K177 WeakPolarHBondContact O-CA 3.37Å; I165-A178 PolarHBondContact N-O 2.91Å; I165-A178 PolarHBondContact O-N 2.82Å; I165-F180 HydrophobicContact CD1-CE1 4.02Å; I165-F180 HydrophobicContact CG1-CE1 4.45Å; I165-A198 HydrophobicContact CD1-CB 4Å; I165-A198 HydrophobicContact CG1-CB 4.06Å; I165-A198 HydrophobicContact CG2-CB 3.78Å; I165-L200 HydrophobicContact CB-CD1 4.43Å; I165-L200 HydrophobicContact CG2-CB 3.93Å; I165-L200 HydrophobicContact CG2-CD1 3.91Å; I165-I238 HydrophobicContact CD1-CG2 4.1Å |
| 166 | T | 92.9 | Very high | 82.7 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 161.2 | 173.5 | 82.4 | 0 | 0 | 0 | 0 | 111.6 | G154 N155 L164 Q175 P176 K177 | G154-T166 CarbonylContact C-O 3.57Å; G154-T166 WeakPolarHBondContact CA-O 3.45Å; N155-T166 PolarHBondContact N-O 3.4Å; N155-T166 PolarHBondContact O-N 3.47Å; L164-T166 HydrophobicContact CD1-CG2 4.19Å; L164-T166 HydrophobicContact CD2-CG2 3.99Å; L164-T166 HydrophobicContact CG-CG2 3.81Å; T166-Q175 PolarHBondContact OG1-OE1 2.75Å; T166-P176 WeakPolarHBondContact CA-O 3.49Å; T166-K177 HydrophobicContact CG2-CB 3.99Å |
| 167 | R | 88.1 | Confident | 82.7 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 25% | 0.249 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 143.1 | 169.7 | -162.3 | 175.9 | -171.9 | -179.9 | 3.3 | 109.8 | L169 Q175 P176 L200 | R167-L169 PolarHBondContact O-N 3.14Å; R167-Q175 PolarHBondContact O-OE1 2.93Å; R167-P176 HydrophobicContact CB-CB 4.35Å; R167-P176 HydrophobicContact CB-CG 4.36Å; R167-P176 PolarHBondContact N-O 2.77Å; R167-L200 HydrophobicContact CB-CD2 4.17Å |
| 168 | N | 80.3 | Confident | 82.9 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -77.9 | 86.1 | 172.1 | -164.8 | 13.5 | 0 | 0 | 0 | 110.5 | Q153 N155 | Q153-N168 WeakPolarHBondContact O-CB 3.42Å; N155-N168 PolarHBondContact ND2-OD1 2.92Å |
| 169 | L | 69.9 | Low | 83.1 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 47% | 0.466 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -147.9 | 148.4 | -179 | -145.5 | 72.8 | 0 | 0 | 0 | 109.2 | R167 D171 | R167-L169 PolarHBondContact O-N 3.14Å; L169-D171 PolarHBondContact O-N 2.88Å |
| 170 | P | 56.6 | Low | 83.4 | Confident | 115 Ų | 115 | 56.8 Ų | 56.8 | 75% | 0.747 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -71 | 113.8 | -177.4 | -17.4 | 32 | 0 | 0 | 0 | 112.4 | S172 | P170-S172 VanDerWaalsContact C-N 3.33Å; P170-S172 PolarHBondContact O-N 2.85Å |
| 171 | D | 55.4 | Low | 83.7 | Confident | 153 Ų | 153 | 50.2 Ų | 50.2 | 82% | 0.818 | 28% | 0.275 | S | S | * | . | trans | 34.7 | 42.8 | 152.4 | -59.5 | -23.3 | 0 | 0 | 0 | 119.5 | L169 | L169-D171 PolarHBondContact O-N 2.88Š| ||
| 172 | S | 62.1 | Low | 83.6 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | trans | -76.1 | 134.4 | 156.6 | 93.8 | 0 | 0 | 0 | 0 | 109.7 | P170 S174 Q175 | P170-S172 VanDerWaalsContact C-N 3.33Å; P170-S172 PolarHBondContact O-N 2.85Å; S172-S174 PolarHBondContact O-N 2.94Å; S172-S174 PolarHBondContact OG-OG 2.78Å; S172-Q175 WeakPolarHBondContact O-CB 2.95Å; S172-Q175 PolarHBondContact O-N 2.83Å; S172-Q175 PolarHBondContact OG-N 2.9Å; S172-Q175 VanDerWaalsContact OG-N 3.15Å | ||
| 173 | S | 64.6 | Low | 83.4 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 62% | 0.615 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | K177 | S173-K177 PolarHBondContact O-NZ 2.99Š|
| 174 | S | 73.9 | Confident | 83.1 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2 | -177.9 | 56.5 | 0 | 0 | 0 | 0 | 115.4 | S172 P258 E297 | S172-S174 PolarHBondContact O-N 2.94Å; S172-S174 PolarHBondContact OG-OG 2.78Å; S174-P258 WeakPolarHBondContact O-CD 3.3Å; S174-E297 WeakPolarHBondContact CB-OE1 3.36Å; S174-E297 WeakPolarHBondContact CB-OE2 3.43Å; S174-E297 PolarHBondContact OG-OE1 2.85Å; S174-E297 PolarHBondContact OG-OE2 2.87Å |
| 175 | Q | 85.5 | Confident | 82.7 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | trans | -53.2 | 142.3 | -166.2 | 68.2 | 172.9 | -74.3 | 0 | 0 | 114.5 | T166 R167 S172 K177 | T166-Q175 PolarHBondContact OG1-OE1 2.75Å; R167-Q175 PolarHBondContact O-OE1 2.93Å; S172-Q175 WeakPolarHBondContact O-CB 2.95Å; S172-Q175 PolarHBondContact O-N 2.83Å; S172-Q175 PolarHBondContact OG-N 2.9Å; S172-Q175 VanDerWaalsContact OG-N 3.15Å; Q175-K177 PolarHBondContact O-N 3.03Å | ||
| 176 | P | 91.1 | Very high | 81.7 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 5% | 0.045 | 34% | 0.336 | C | S | . | . | trans | -57.2 | 126.8 | 177.1 | -21.7 | 30.7 | 0 | 0 | 0 | 111.9 | T166 R167 L200 V202 L257 P258 | T166-P176 WeakPolarHBondContact CA-O 3.49Å; R167-P176 HydrophobicContact CB-CB 4.35Å; R167-P176 HydrophobicContact CB-CG 4.36Å; R167-P176 PolarHBondContact N-O 2.77Å; P176-L200 HydrophobicContact CB-CD2 3.85Å; P176-V202 HydrophobicContact CB-CG2 3.79Å; P176-V202 HydrophobicContact CG-CG2 3.8Å; P176-L257 HydrophobicContact CB-CD2 4.06Å; P176-P258 HydrophobicContact CG-CG 4.03Å | ||
| 177 | K | 92.8 | Very high | 80.6 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 30% | 0.296 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 153.3 | -173.6 | 61.5 | -161.1 | 170.1 | -156.5 | 0 | 113.5 | L164 I165 T166 S173 Q175 S256 | L164-K177 HydrophobicContact CD1-CB 4.1Å; I165-K177 CarbonylContact O-C 3.58Å; I165-K177 VanDerWaalsContact O-CA 3.25Å; I165-K177 WeakPolarHBondContact O-CA 3.37Å; T166-K177 HydrophobicContact CG2-CB 3.99Å; S173-K177 PolarHBondContact O-NZ 2.99Å; Q175-K177 PolarHBondContact O-N 3.03Å; K177-S256 PolarHBondContact N-O 2.94Å; K177-S256 PolarHBondContact O-N 2.94Å |
| 178 | A | 95.3 | Very high | 79.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 125.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L164 I165 I238 I253 Q254 | L164-A178 WeakPolarHBondContact CA-O 3.21Å; I165-A178 PolarHBondContact N-O 2.91Å; I165-A178 PolarHBondContact O-N 2.82Å; A178-I238 HydrophobicContact CB-CD1 3.77Å; A178-I253 HydrophobicContact CB-CG2 4.25Å; A178-Q254 CarbonylContact C-O 3.57Å; A178-Q254 WeakPolarHBondContact CA-O 3.46Å |
| 179 | K | 95.3 | Very high | 78.2 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 37% | 0.365 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.5 | 176.5 | -173.5 | 178.2 | 178.8 | 176.2 | 0 | 110.8 | D161 S162 V163 L164 I253 Q254 | D161-K179 IonicContact OD2-NZ 2.71Å; S162-K179 WeakPolarHBondContact OG-CE 3.39Å; S162-K179 PolarHBondContact OG-NZ 2.89Å; V163-K179 VanDerWaalsContact O-CA 3.3Å; V163-K179 WeakPolarHBondContact O-CA 3.43Å; L164-K179 HydrophobicContact CD1-CB 4.12Å; K179-I253 CarbonylContact O-C 3.54Å; K179-Q254 PolarHBondContact N-O 2.89Å; K179-Q254 PolarHBondContact O-N 3.07Å |
| 180 | F | 95.3 | Very high | 77.5 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 1% | 0.013 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155.2 | 173.8 | 60.7 | -89.8 | 0 | 0 | 0 | 111.4 | S162 V163 I165 L184 L185 L240 V249 I253 L307 | S162-F180 WeakPolarHBondContact CA-O 3.46Å; S162-F180 WeakPolarHBondContact CB-O 3.47Å; V163-F180 HydrophobicContact CB-CD1 4.26Å; V163-F180 HydrophobicContact CB-CD2 4.11Å; V163-F180 HydrophobicContact CB-CE1 3.89Å; V163-F180 HydrophobicContact CB-CE2 3.72Å; V163-F180 HydrophobicContact CB-CG 4.38Å; V163-F180 HydrophobicContact CB-CZ 3.6Å; V163-F180 HydrophobicContact CG1-CE1 3.75Å; V163-F180 HydrophobicContact CG1-CE2 4.16Å; V163-F180 HydrophobicContact CG1-CZ 3.54Å; V163-F180 HydrophobicContact CG2-CD2 4.28Å; V163-F180 HydrophobicContact CG2-CE2 3.73Å; V163-F180 HydrophobicContact CG2-CZ 3.98Å; V163-F180 PolarHBondContact N-O 2.91Å; V163-F180 PolarHBondContact O-N 2.86Å; I165-F180 HydrophobicContact CD1-CE1 4.02Å; I165-F180 HydrophobicContact CG1-CE1 4.45Å; F180-L184 HydrophobicContact CB-CD1 4.33Å; F180-L184 HydrophobicContact CD2-CB 4.3Å; F180-L184 HydrophobicContact CD2-CD1 4.46Å; F180-L185 HydrophobicContact CE2-CD2 3.7Å; F180-L185 HydrophobicContact CE2-CG 4.09Å; F180-L185 HydrophobicContact CZ-CD2 3.94Å; F180-L240 HydrophobicContact CZ-CD2 4.3Å; F180-V249 HydrophobicContact CD2-CG1 3.91Å; F180-V249 HydrophobicContact CE2-CG1 3.8Å; F180-V249 HydrophobicContact CE2-CG2 4.33Å; F180-V249 HydrophobicContact CG-CG1 4.5Å; F180-V249 HydrophobicContact CZ-CG1 4.32Å; F180-V249 HydrophobicContact CZ-CG2 4.39Å; F180-I253 HydrophobicContact CB-CB 4.21Å; F180-I253 HydrophobicContact CB-CG1 3.66Å; F180-I253 HydrophobicContact CB-CG2 4.36Å; F180-I253 HydrophobicContact CD1-CG1 4.36Å; F180-I253 HydrophobicContact CD1-CG2 4.35Å; F180-I253 HydrophobicContact CG-CG1 4.14Å; F180-L307 HydrophobicContact CE1-CD1 4.46Å |
| 181 | P | 93.9 | Very high | 77.8 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 31% | 0.305 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 144.2 | 179.2 | 28.3 | -32.3 | 0 | 0 | 0 | 111.4 | N183 L184 P252 | P181-N183 VanDerWaalsContact C-N 3.26Å; P181-N183 WeakPolarHBondContact CB-OD1 3.33Å; P181-N183 PolarHBondContact O-N 3.15Å; P181-L184 HydrophobicContact CG-CD1 3.94Å; P181-L184 HydrophobicContact CG-CG 4.04Å; P181-L184 WeakPolarHBondContact O-CG 3.32Å; P181-L184 PolarHBondContact O-N 3.18Å; P181-P252 WeakPolarHBondContact CD-O 3.47Å |
| 182 | K | 89.4 | Confident | 78.5 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 35% | 0.348 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -67.1 | -25 | -168.1 | -174.6 | -177.8 | -174.2 | 171.1 | 0 | 113.6 | F159 E160 D161 V163 L184 L185 | F159-K182 WeakPolarHBondContact O-CD 3.32Å; F159-K182 PolarHBondContact O-NZ 3.45Å; E160-K182 WeakPolarHBondContact O-CD 3.44Å; D161-K182 WeakPolarHBondContact O-CB 3.39Å; D161-K182 PolarHBondContact O-N 2.87Å; V163-K182 HydrophobicContact CG2-CB 4.39Å; V163-K182 HydrophobicContact CG2-CG 4.47Å; K182-L184 PolarHBondContact O-N 2.17Å; K182-L184 VanDerWaalsContact O-N 3.13Å; K182-L185 HydrophobicContact CG-CD1 4.37Å; K182-L185 WeakPolarHBondContact O-CB 2.98Å; K182-L185 PolarHBondContact O-N 2.59Å |
| 183 | N | 88 | Confident | 79.1 | Confident | 133 Ų | 133 | 68.8 Ų | 68.8 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -63.3 | -11.4 | 175.4 | 66.9 | -22.6 | 0 | 0 | 0 | 114.2 | P181 L185 | P181-N183 VanDerWaalsContact C-N 3.26Å; P181-N183 WeakPolarHBondContact CB-OD1 3.33Å; P181-N183 PolarHBondContact O-N 3.15Å; N183-L185 VanDerWaalsContact C-N 3.33Å |
| 184 | L | 87.4 | Confident | 79.7 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -84.8 | -5.5 | 173.2 | -48.7 | -178.8 | 0 | 0 | 0 | 113.3 | F180 P181 K182 T186 V249 | F180-L184 HydrophobicContact CB-CD1 4.33Å; F180-L184 HydrophobicContact CD2-CB 4.3Å; F180-L184 HydrophobicContact CD2-CD1 4.46Å; P181-L184 HydrophobicContact CG-CD1 3.94Å; P181-L184 HydrophobicContact CG-CG 4.04Å; P181-L184 WeakPolarHBondContact O-CG 3.32Å; P181-L184 PolarHBondContact O-N 3.18Å; K182-L184 PolarHBondContact O-N 2.17Å; K182-L184 VanDerWaalsContact O-N 3.13Å; L184-T186 PolarHBondContact O-N 2.91Å; L184-V249 HydrophobicContact CB-CG1 3.74Å; L184-V249 HydrophobicContact CD1-CG1 4.45Å |
| 185 | L | 85.1 | Confident | 80.1 | Confident | 30 Ų | 30 | 71.9 Ų | 71.9 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | trans | -79 | 96.4 | 173.3 | -70 | -175.8 | 0 | 0 | 0 | 110.5 | L158 V163 F180 K182 N183 V187 L196 L240 V249 | L158-L185 HydrophobicContact CD2-CD1 4.28Å; V163-L185 HydrophobicContact CG2-CD1 3.65Å; V163-L185 HydrophobicContact CG2-CD2 4.42Å; V163-L185 HydrophobicContact CG2-CG 3.98Å; F180-L185 HydrophobicContact CE2-CD2 3.7Å; F180-L185 HydrophobicContact CE2-CG 4.09Å; F180-L185 HydrophobicContact CZ-CD2 3.94Å; K182-L185 HydrophobicContact CG-CD1 4.37Å; K182-L185 WeakPolarHBondContact O-CB 2.98Å; K182-L185 PolarHBondContact O-N 2.59Å; N183-L185 VanDerWaalsContact C-N 3.33Å; L185-V187 HydrophobicContact CB-CG2 4.11Å; L185-V187 PolarHBondContact O-N 3.18Å; L185-L196 HydrophobicContact CD1-CD1 4.35Å; L185-L240 HydrophobicContact CD2-CD2 3.48Å; L185-L240 VanDerWaalsContact CD2-CD2 3.48Å; L185-V249 HydrophobicContact CD2-CG2 4.2Å | ||
| 186 | T | 73.4 | Confident | 80.3 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 66% | 0.656 | 39% | 0.386 | S | S | * | . | trans | -76.9 | 55.3 | 169 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | L184 | L184-T186 PolarHBondContact O-N 2.91Š| ||
| 187 | V | 68.9 | Low | 80.2 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 21% | 0.212 | 40% | 0.4 | C | S | . | . | trans | -73.6 | 127.5 | 171.2 | 173.2 | 0 | 0 | 0 | 0 | 107.3 | L185 S191 L196 L247 | L185-V187 HydrophobicContact CB-CG2 4.11Å; L185-V187 PolarHBondContact O-N 3.18Å; V187-S191 WeakPolarHBondContact CG1-O 3.41Å; V187-S191 WeakPolarHBondContact CG1-OG 3.48Å; V187-L196 HydrophobicContact CG2-CD1 4.47Å; V187-L196 HydrophobicContact CG2-CD2 4.03Å; V187-L247 HydrophobicContact CG2-CD1 3.9Å | ||
| 188 | S | 61 | Low | 80.2 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | trans | -67.9 | 144.9 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | K190 S191 | S188-K190 PolarHBondContact O-N 3.18Å; S188-S191 PolarHBondContact N-OG 2.95Å; S188-S191 PolarHBondContact O-N 2.85Å; S188-S191 PolarHBondContact O-OG 3.23Å | ||
| 189 | D | 56.7 | Low | 80.2 | Confident | 174 Ų | 174 | 73.7 Ų | 73.7 | 93% | 0.93 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13 | -178.8 | -48.1 | -73.2 | 0 | 0 | 0 | 113.9 | ||
| 190 | K | 56.5 | Low | 80.1 | Confident | 198 Ų | 198 | 69.8 Ų | 69.8 | 86% | 0.861 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -13.7 | 176.4 | -61.1 | -177.8 | -179.3 | 179.8 | 0 | 114.7 | S188 | S188-K190 PolarHBondContact O-N 3.18Š|
| 191 | S | 63.3 | Low | 80 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -95 | 113.8 | 179.2 | 38.9 | 0 | 0 | 0 | 0 | 110.6 | V187 S188 I193 | V187-S191 WeakPolarHBondContact CG1-O 3.41Å; V187-S191 WeakPolarHBondContact CG1-OG 3.48Å; S188-S191 PolarHBondContact N-OG 2.95Å; S188-S191 PolarHBondContact O-N 2.85Å; S188-S191 PolarHBondContact O-OG 3.23Å; S191-I193 PolarHBondContact O-N 2.95Å |
| 192 | N | 68.9 | Low | 79.8 | Confident | 121 Ų | 121 | 69 Ų | 69 | 65% | 0.647 | 38% | 0.375 | S | S | * | . | trans | -58.6 | 132.5 | 178 | -76.6 | -32.4 | 0 | 0 | 0 | 111.2 | S194 S195 | N192-S194 PolarHBondContact O-N 2.56Å; N192-S195 PolarHBondContact O-N 3.25Å; N192-S195 PolarHBondContact O-OG 2.9Å | ||
| 193 | I | 75.6 | Confident | 79.5 | Confident | 101 Ų | 101 | 65.5 Ų | 65.5 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -56.9 | -25.1 | 178.4 | -66.5 | 173.2 | 0 | 0 | 0 | 112.1 | L158 S191 S195 L196 | L158-I193 HydrophobicContact CD1-CG2 3.27Å; S191-I193 PolarHBondContact O-N 2.95Å; I193-S195 VanDerWaalsContact C-N 3.26Å; I193-S195 PolarHBondContact O-N 3.32Å; I193-L196 HydrophobicContact CG2-CD1 4.11Å; I193-L196 WeakPolarHBondContact O-CB 3.49Å; I193-L196 WeakPolarHBondContact O-CG 3.33Å; I193-L196 PolarHBondContact O-N 2.73Å |
| 194 | S | 76.2 | Confident | 78.7 | Confident | 115 Ų | 115 | 65.7 Ų | 65.7 | 80% | 0.804 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -71.2 | -7.4 | 174.1 | 61.5 | 0 | 0 | 0 | 0 | 115.4 | N192 | N192-S194 PolarHBondContact O-N 2.56Š|
| 195 | S | 83.8 | Confident | 77.4 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -95.4 | 11.6 | 172.1 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | N192 I193 G243 | N192-S195 PolarHBondContact O-N 3.25Å; N192-S195 PolarHBondContact O-OG 2.9Å; I193-S195 VanDerWaalsContact C-N 3.26Å; I193-S195 PolarHBondContact O-N 3.32Å; S195-G243 PolarHBondContact O-N 3.07Å |
| 196 | L | 88.1 | Confident | 76 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 120.7 | 175.1 | -70.4 | 176.3 | 0 | 0 | 0 | 111.4 | I156 L158 L185 V187 I193 Y241 L247 | I156-L196 HydrophobicContact CD1-CB 4.27Å; L158-L196 HydrophobicContact CD1-CD1 4.17Å; L158-L196 HydrophobicContact CD2-CD1 4.43Å; L185-L196 HydrophobicContact CD1-CD1 4.35Å; V187-L196 HydrophobicContact CG2-CD1 4.47Å; V187-L196 HydrophobicContact CG2-CD2 4.03Å; I193-L196 HydrophobicContact CG2-CD1 4.11Å; I193-L196 WeakPolarHBondContact O-CB 3.49Å; I193-L196 WeakPolarHBondContact O-CG 3.33Å; I193-L196 PolarHBondContact O-N 2.73Å; L196-Y241 CarbonylContact C-O 3.58Å; L196-Y241 WeakPolarHBondContact CA-O 3.38Å; L196-L247 HydrophobicContact CD2-CD1 3.5Å |
| 197 | M | 90.3 | Very high | 75.2 | Confident | 69 Ų | 69 | 67 Ų | 67 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.3 | 178.2 | -68.9 | -65.9 | -70.5 | 0 | 0 | 109.7 | Q153 Y199 Y241 | Q153-M197 HydrophobicContact CG-CE 4.47Å; M197-Y199 HydrophobicContact CB-CE2 4.5Å; M197-Y241 PolarHBondContact N-O 3.38Å; M197-Y241 PolarHBondContact O-N 2.92Å |
| 198 | A | 93 | Very high | 74.3 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G154 I156 I165 L240 | G154-A198 PolarHBondContact N-O 2.9Å; I156-A198 HydrophobicContact CB-CB 3.99Å; I156-A198 HydrophobicContact CD1-CB 4.43Å; I165-A198 HydrophobicContact CD1-CB 4Å; I165-A198 HydrophobicContact CG1-CB 4.06Å; I165-A198 HydrophobicContact CG2-CB 3.78Å; A198-L240 HydrophobicContact CB-CD1 4.08Å |
| 199 | Y | 93.9 | Very high | 73.7 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.7 | 170.6 | -62.1 | -86.1 | 0 | 0 | 0 | 108.9 | H151 Q153 M197 I238 Q239 Y241 | H151-Y199 HydrophobicContact CB-CD1 3.87Å; H151-Y199 HydrophobicContact CB-CG 4.25Å; Q153-Y199 HydrophobicContact CB-CD1 4.35Å; Q153-Y199 HydrophobicContact CB-CE1 4.33Å; M197-Y199 HydrophobicContact CB-CE2 4.5Å; Y199-I238 WeakPolarHBondContact O-CA 3.39Å; Y199-Q239 PolarHBondContact N-O 2.85Å; Y199-Q239 PolarHBondContact O-N 3.42Å; Y199-Y241 AromaticContact CD2-CD2 3.79Å; Y199-Y241 HydrophobicContact CD2-CD2 3.79Å; Y199-Y241 AromaticContact CD2-CE2 3.96Å; Y199-Y241 HydrophobicContact CD2-CE2 3.96Å; Y199-Y241 AromaticContact CE2-CD2 3.75Å; Y199-Y241 HydrophobicContact CE2-CD2 3.75Å; Y199-Y241 HydrophobicContact CE2-CE2 4.07Å |
| 200 | L | 93.9 | Very high | 73.1 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 106.9 | 174.2 | -166.5 | 160.5 | 0 | 0 | 0 | 107.7 | S152 I165 R167 P176 V202 V236 I238 | S152-L200 CarbonylContact O-C 3.52Å; S152-L200 PolarHBondContact O-N 3.01Å; S152-L200 PolarHBondContact OG-O 2.83Å; I165-L200 HydrophobicContact CB-CD1 4.43Å; I165-L200 HydrophobicContact CG2-CB 3.93Å; I165-L200 HydrophobicContact CG2-CD1 3.91Å; R167-L200 HydrophobicContact CB-CD2 4.17Å; P176-L200 HydrophobicContact CB-CD2 3.85Å; L200-V202 HydrophobicContact CD2-CG2 4.07Å; L200-V236 HydrophobicContact CD2-CG2 3.79Å; L200-V236 HydrophobicContact CG-CG2 4.03Å; L200-I238 HydrophobicContact CG-CG1 4.39Å |
| 201 | T | 91.9 | Very high | 72.9 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.2 | -174.2 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | V127 L149 H151 S152 P203 V236 S237 | V127-T201 HydrophobicContact CG2-CG2 3.81Å; L149-T201 HydrophobicContact CD2-CG2 3.67Å; L149-T201 HydrophobicContact CG-CG2 4.13Å; H151-T201 WeakPolarHBondContact CA-OG1 3.26Å; H151-T201 PolarHBondContact CD2-OG1 3.37Å; S152-T201 PolarHBondContact N-OG1 3Å; S152-T201 WeakPolarHBondContact OG-CA 3.38Å; S152-T201 PolarHBondContact OG-OG1 2.83Å; T201-P203 WeakPolarHBondContact O-CD 3.4Å; T201-V236 CarbonylContact O-C 3.58Å; T201-V236 WeakPolarHBondContact O-CA 3.36Å; T201-V236 WeakPolarHBondContact O-CG2 3.36Å; T201-S237 PolarHBondContact N-O 3.03Å; T201-S237 PolarHBondContact O-N 2.84Å |
| 202 | V | 89.9 | Confident | 72.1 | Confident | 31 Ų | 31 | 66 Ų | 66 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | trans | -115 | 97.7 | -179.7 | 173.6 | 0 | 0 | 0 | 0 | 108.6 | P176 L200 Q204 A235 V236 | P176-V202 HydrophobicContact CB-CG2 3.79Å; P176-V202 HydrophobicContact CG-CG2 3.8Å; L200-V202 HydrophobicContact CD2-CG2 4.07Å; V202-Q204 PolarHBondContact O-N 2.83Å; V202-A235 WeakPolarHBondContact CG1-O 3.47Å; V202-V236 HydrophobicContact CG2-CG2 4.18Å | ||
| 203 | P | 83.4 | Confident | 71.4 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 5% | 0.045 | 35% | 0.353 | C | S | . | . | trans | -77 | 110.2 | -175.6 | -17.9 | 34.1 | 0 | 0 | 0 | 112.3 | V127 L149 T201 H205 A235 Y309 | V127-P203 HydrophobicContact CG1-CG 4.27Å; L149-P203 HydrophobicContact CD2-CB 3.65Å; L149-P203 HydrophobicContact CD2-CG 3.84Å; T201-P203 WeakPolarHBondContact O-CD 3.4Å; P203-H205 VanDerWaalsContact C-N 3.3Å; P203-H205 PolarHBondContact O-N 3.44Å; P203-A235 WeakPolarHBondContact CD-O 3.47Å; P203-Y309 HydrophobicContact CG-CE2 3.89Å | ||
| 204 | Q | 71.8 | Confident | 70.7 | Confident | 136 Ų | 136 | 61 Ų | 61 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -71.3 | -20.5 | 179.4 | -70.5 | 174.2 | -54.5 | 0 | 0 | 113.8 | V202 H206 L207 | V202-Q204 PolarHBondContact O-N 2.83Å; Q204-H206 VanDerWaalsContact C-N 3.26Å; Q204-H206 PolarHBondContact O-N 3.49Å; Q204-L207 WeakPolarHBondContact O-CB 3.45Å; Q204-L207 PolarHBondContact O-N 3.43Å |
| 205 | H | 59.7 | Low | 70.3 | Confident | 136 Ų | 136 | 55.7 Ų | 55.7 | 63% | 0.63 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -60.3 | -31.9 | -176.3 | -173.1 | -86.9 | 0 | 0 | 0 | 113.6 | P203 L207 | P203-H205 VanDerWaalsContact C-N 3.3Å; P203-H205 PolarHBondContact O-N 3.44Å; H205-L207 VanDerWaalsContact C-N 3.26Å; H205-L207 PolarHBondContact O-N 3.26Å |
| 206 | H | 56 | Low | 69.6 | Low | 21 Ų | 21 | 54.6 Ų | 54.6 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -79.5 | -7 | 179 | -62.5 | -80.3 | 0 | 0 | 0 | 113.7 | Q204 A232 Y309 | Q204-H206 VanDerWaalsContact C-N 3.26Å; Q204-H206 PolarHBondContact O-N 3.49Å; H206-A232 HydrophobicContact CB-CB 3.93Å; H206-A232 WeakPolarHBondContact O-CB 3.34Å; H206-A232 PolarHBondContact O-N 2.67Å; H206-Y309 PolarHBondContact CD2-OH 3.29Å; H206-Y309 PolarHBondContact NE2-OH 3.16Å |
| 207 | L | 56.9 | Low | 68.8 | Low | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -95.5 | -1 | -178 | -169.8 | 47.7 | 0 | 0 | 0 | 113.1 | Q204 H205 K209 V233 E260 | Q204-L207 WeakPolarHBondContact O-CB 3.45Å; Q204-L207 PolarHBondContact O-N 3.43Å; H205-L207 VanDerWaalsContact C-N 3.26Å; H205-L207 PolarHBondContact O-N 3.26Å; L207-K209 PolarHBondContact O-N 3.13Å; L207-V233 VanDerWaalsContact CD1-O 3.29Å; L207-V233 WeakPolarHBondContact CD1-O 3.35Å; L207-E260 VanDerWaalsContact CD2-CD 3.47Å; L207-E260 HydrophobicContact CD2-CG 3.89Å; L207-E260 WeakPolarHBondContact CD2-OE1 3.32Å |
| 208 | A | 50.1 | Low | 68 | Low | 47 Ų | 47 | 51.5 Ų | 51.5 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | trans | -56.6 | 131.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D210 | A208-D210 VanDerWaalsContact C-N 3.25Å; A208-D210 PolarHBondContact O-N 3.04Å | ||
| 209 | K | 48.3 | Very low | 66.9 | Low | 145 Ų | 145 | 53.6 Ų | 53.6 | 63% | 0.63 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -59.7 | -36 | -176 | -160.8 | 174.2 | -174.9 | 178 | 0 | 112.3 | L207 K231 | L207-K209 PolarHBondContact O-N 3.13Å; K209-K231 WeakPolarHBondContact O-CE 3.4Å; K209-K231 PolarHBondContact O-NZ 2.85Å |
| 210 | D | 44.2 | Very low | 65.3 | Low | 134 Ų | 134 | 55.2 Ų | 55.2 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -113.2 | 84.2 | 179.4 | -56.7 | -56.1 | 0 | 0 | 0 | 109.9 | A208 T212 | A208-D210 VanDerWaalsContact C-N 3.25Å; A208-D210 PolarHBondContact O-N 3.04Å; D210-T212 PolarHBondContact O-N 2.86Å |
| 211 | C | 52.2 | Low | 63.2 | Low | 36 Ų | 36 | 57.9 Ų | 57.9 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | trans | -81.2 | 83.3 | -169.9 | -166 | 0 | 0 | 0 | 0 | 112 | N213 C214 K231 | C211-N213 VanDerWaalsContact C-N 3.29Å; C211-N213 PolarHBondContact O-N 3.23Å; C211-C214 HydrophobicContact CB-CB 4.08Å; C211-C214 WeakPolarHBondContact CB-SG 3.38Å; C211-C214 WeakPolarHBondContact SG-CA 3.13Å; C211-C214 WeakPolarHBondContact SG-CB 3.32Å; C211-C214 CovalentContact SG-SG 2.03Å; C211-C214 PolarHBondContact SG-SG 2.99Å; C211-K231 HydrophobicContact CB-CG 4.4Å | ||
| 212 | T | 46.9 | Very low | 61.2 | Low | 125 Ų | 125 | 68.5 Ų | 68.5 | 77% | 0.767 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14 | -174.3 | 53 | 0 | 0 | 0 | 0 | 115.5 | D210 | D210-T212 PolarHBondContact O-N 2.86Š|
| 213 | N | 52.4 | Low | 59.2 | Low | 104 Ų | 104 | 72.5 Ų | 72.5 | 56% | 0.556 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | 59.4 | 176.4 | -71.3 | -60.8 | 0 | 0 | 0 | 110.1 | L131 C211 | L131-N213 HydrophobicContact CD1-CB 4.47Å; C211-N213 VanDerWaalsContact C-N 3.29Å; C211-N213 PolarHBondContact O-N 3.23Å |
| 214 | C | 61.6 | Low | 57.9 | Low | 13 Ų | 13 | 76.5 Ų | 76.5 | 9% | 0.088 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 138.5 | -174.2 | -113.3 | 0 | 0 | 0 | 0 | 112.8 | C211 E229 L230 K231 | C211-C214 HydrophobicContact CB-CB 4.08Å; C211-C214 WeakPolarHBondContact CB-SG 3.38Å; C211-C214 WeakPolarHBondContact SG-CA 3.13Å; C211-C214 WeakPolarHBondContact SG-CB 3.32Å; C211-C214 CovalentContact SG-SG 2.03Å; C211-C214 PolarHBondContact SG-SG 2.99Å; C214-E229 HydrophobicContact CB-CG 3.39Å; C214-E229 WeakPolarHBondContact CB-OE1 3.36Å; C214-L230 VanDerWaalsContact SG-C 3.55Å; C214-L230 PolarHBondContact SG-O 2.87Å; C214-K231 WeakPolarHBondContact SG-CA 3.38Å |
| 215 | T | 67.7 | Low | 57.5 | Low | 4 Ų | 4 | 74 Ų | 74 | 3% | 0.025 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 138.3 | -167.4 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | P130 G217 L230 W283 | P130-T215 HydrophobicContact CG-CG2 4.17Å; T215-G217 PolarHBondContact O-N 3.05Å; T215-L230 VanDerWaalsContact O-CB 3.32Å; T215-L230 WeakPolarHBondContact O-CB 3.46Å; T215-L230 PolarHBondContact O-N 2.81Å; T215-W283 PolarHBondContact OG1-NE1 3.06Å |
| 216 | P | 69.3 | Low | 57.9 | Low | 18 Ų | 18 | 75.7 Ų | 75.7 | 12% | 0.117 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 121.6 | -177 | 28.9 | -33.8 | 0 | 0 | 0 | 111.6 | P132 W283 | P132-P216 HydrophobicContact CB-CG 4.21Å; P216-W283 PolarHBondContact O-N 2.93Å |
| 217 | G | 71.2 | Confident | 58.7 | Low | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 142.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T215 S227 I228 W283 | T215-G217 PolarHBondContact O-N 3.05Å; G217-S227 CarbonylContact O-C 3.52Å; G217-S227 WeakPolarHBondContact O-CA 3.48Å; G217-I228 PolarHBondContact N-O 2.88Å; G217-I228 PolarHBondContact O-N 3.36Å; G217-W283 CarbonylContact C-O 3.27Å; G217-W283 WeakPolarHBondContact CA-O 2.99Å |
| 218 | I | 74.2 | Confident | 59.7 | Low | 15 Ų | 15 | 77.5 Ų | 77.5 | 8% | 0.077 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.3 | 170.5 | -66.2 | 174.3 | 0 | 0 | 0 | 108.6 | H91 L225 A282 W283 E284 | H91-I218 HydrophobicContact CB-CD1 4.04Å; I218-L225 HydrophobicContact CG2-CD1 3.44Å; I218-L225 VanDerWaalsContact CG2-CD1 3.44Å; I218-L225 HydrophobicContact CG2-CD2 4.5Å; I218-L225 HydrophobicContact CG2-CG 3.94Å; I218-A282 HydrophobicContact CD1-CB 3.79Å; I218-A282 HydrophobicContact CG1-CB 3.95Å; I218-W283 PolarHBondContact N-O 2.87Å; I218-E284 HydrophobicContact CB-CG 4.43Å; I218-E284 HydrophobicContact CD1-CG 4.32Å |
| 219 | I | 69.2 | Low | 61.2 | Low | 45 Ų | 45 | 81 Ų | 81 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.9 | 154.4 | -60.1 | -170.3 | 0 | 0 | 0 | 109 | S221 R226 I228 W274 | I219-S221 PolarHBondContact O-N 2.87Å; I219-R226 PolarHBondContact N-O 2.92Å; I219-R226 PolarHBondContact O-N 2.98Å; I219-I228 HydrophobicContact CB-CD1 4.19Å; I219-I228 HydrophobicContact CD1-CD1 3.6Å; I219-I228 HydrophobicContact CG1-CD1 3.89Å; I219-W274 HydrophobicContact CD1-CH2 3.9Å; I219-W274 HydrophobicContact CG1-CH2 3.72Å; I219-W274 HydrophobicContact CG1-CZ3 3.96Å |
| 220 | S | 59.6 | Low | 62.8 | Low | 98 Ų | 98 | 74.1 Ų | 74.1 | 69% | 0.685 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 105.8 | 166.1 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 221 | S | 51.1 | Low | 64.7 | Low | 58 Ų | 58 | 72.3 Ų | 72.3 | 41% | 0.406 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 154.6 | 162.6 | 78.1 | 0 | 0 | 0 | 0 | 109 | I219 S223 V224 | I219-S221 PolarHBondContact O-N 2.87Å; S221-S223 PolarHBondContact O-N 2.99Å; S221-V224 PolarHBondContact N-O 3.49Å; S221-V224 VanDerWaalsContact N-O 3.16Å; S221-V224 PolarHBondContact O-N 2.84Å; S221-V224 PolarHBondContact OG-O 3.32Å |
| 222 | K | 50 | Low | 66.3 | Low | 225 Ų | 225 | 70.8 Ų | 70.8 | 98% | 0.978 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -0.3 | -159.9 | -64.1 | -174.5 | 177.5 | -177.6 | 0 | 118.3 | ||
| 223 | S | 47.6 | Very low | 68.2 | Low | 116 Ų | 116 | 65.8 Ų | 65.8 | 81% | 0.811 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.5 | -1.6 | 167.3 | 56 | 0 | 0 | 0 | 0 | 114.6 | S221 | S221-S223 PolarHBondContact O-N 2.99Š|
| 224 | V | 56.6 | Low | 70 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 125.2 | -174.1 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | S221 R226 | S221-V224 PolarHBondContact N-O 3.49Å; S221-V224 VanDerWaalsContact N-O 3.16Å; S221-V224 PolarHBondContact O-N 2.84Å; S221-V224 PolarHBondContact OG-O 3.32Å; V224-R226 PolarHBondContact O-N 2.93Å |
| 225 | L | 63.6 | Low | 71.4 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 44% | 0.44 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.3 | 169.4 | -156 | 76.6 | 0 | 0 | 0 | 108.7 | I218 | I218-L225 HydrophobicContact CG2-CD1 3.44Å; I218-L225 VanDerWaalsContact CG2-CD1 3.44Å; I218-L225 HydrophobicContact CG2-CD2 4.5Å; I218-L225 HydrophobicContact CG2-CG 3.94Å |
| 226 | R | 68.1 | Low | 72.7 | Confident | 172 Ų | 172 | 60.6 Ų | 60.6 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 114.5 | 177.7 | -167.4 | 175.5 | -176 | 174 | 2.3 | 109.8 | I219 V224 I228 | I219-R226 PolarHBondContact N-O 2.92Å; I219-R226 PolarHBondContact O-N 2.98Å; V224-R226 PolarHBondContact O-N 2.93Å; R226-I228 HydrophobicContact CG-CD1 4.39Å; R226-I228 HydrophobicContact CG-CG1 4.1Å |
| 227 | S | 73 | Confident | 73.8 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 46% | 0.462 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 137 | 165.8 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | G217 | G217-S227 CarbonylContact O-C 3.52Å; G217-S227 WeakPolarHBondContact O-CA 3.48Å |
| 228 | I | 77.6 | Confident | 74.9 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.4 | -174 | -71.9 | -179.5 | 0 | 0 | 0 | 108.2 | G217 I219 R226 L230 P316 | G217-I228 PolarHBondContact N-O 2.88Å; G217-I228 PolarHBondContact O-N 3.36Å; I219-I228 HydrophobicContact CB-CD1 4.19Å; I219-I228 HydrophobicContact CD1-CD1 3.6Å; I219-I228 HydrophobicContact CG1-CD1 3.89Å; R226-I228 HydrophobicContact CG-CD1 4.39Å; R226-I228 HydrophobicContact CG-CG1 4.1Å; I228-L230 HydrophobicContact CG2-CD2 4.2Å; I228-L230 PolarHBondContact O-N 2.75Å; I228-P316 HydrophobicContact CG2-CG 3.41Å; I228-P316 VanDerWaalsContact CG2-CG 3.41Å |
| 229 | E | 80.5 | Confident | 75.8 | Confident | 119 Ų | 119 | 60.3 Ų | 60.3 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.9 | -179.1 | -171.8 | 170.2 | -165.4 | 0 | 0 | 111.1 | C214 P316 | C214-E229 HydrophobicContact CB-CG 3.39Å; C214-E229 WeakPolarHBondContact CB-OE1 3.36Å; E229-P316 WeakPolarHBondContact O-CD 3.45Å; E229-P316 WeakPolarHBondContact O-CG 3.39Å |
| 230 | L | 82.6 | Confident | 77 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 113.7 | -177.4 | -55.7 | -174.2 | 0 | 0 | 0 | 112.4 | C214 T215 I228 W274 W283 I311 A313 | C214-L230 VanDerWaalsContact SG-C 3.55Å; C214-L230 PolarHBondContact SG-O 2.87Å; T215-L230 VanDerWaalsContact O-CB 3.32Å; T215-L230 WeakPolarHBondContact O-CB 3.46Å; T215-L230 PolarHBondContact O-N 2.81Å; I228-L230 HydrophobicContact CG2-CD2 4.2Å; I228-L230 PolarHBondContact O-N 2.75Å; L230-W274 HydrophobicContact CD1-CB 4.47Å; L230-W274 HydrophobicContact CD1-CD2 3.5Å; L230-W274 VanDerWaalsContact CD1-CD2 3.5Å; L230-W274 HydrophobicContact CD1-CE3 3.67Å; L230-W274 HydrophobicContact CD1-CG 3.87Å; L230-W274 HydrophobicContact CD1-CH2 4.31Å; L230-W274 HydrophobicContact CD1-CZ2 4.17Å; L230-W274 HydrophobicContact CD1-CZ3 4.07Å; L230-W274 HydrophobicContact CD2-CD2 4.26Å; L230-W274 HydrophobicContact CD2-CE3 4.44Å; L230-W274 HydrophobicContact CD2-CH2 3.57Å; L230-W274 HydrophobicContact CD2-CZ2 3.33Å; L230-W274 HydrophobicContact CD2-CZ3 4.13Å; L230-W274 HydrophobicContact CG-CZ2 4.4Å; L230-W283 HydrophobicContact CD1-CB 3.68Å; L230-W283 HydrophobicContact CD1-CG 4.14Å; L230-I311 HydrophobicContact CB-CD1 4.4Å; L230-I311 HydrophobicContact CD1-CD1 3.93Å; L230-A313 HydrophobicContact CB-CB 4.14Å |
| 231 | K | 83.1 | Confident | 78.4 | Confident | 97 Ų | 97 | 55.1 Ų | 55.1 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | trans | -90.8 | 107.8 | 165.8 | -172.4 | 173.6 | -173.9 | 173.7 | 0 | 108.9 | K209 C211 C214 A313 P314 | K209-K231 WeakPolarHBondContact O-CE 3.4Å; K209-K231 PolarHBondContact O-NZ 2.85Å; C211-K231 HydrophobicContact CB-CG 4.4Å; C214-K231 WeakPolarHBondContact SG-CA 3.38Å; K231-A313 WeakPolarHBondContact O-CB 3.46Å; K231-P314 WeakPolarHBondContact O-CD 3.5Å | ||
| 232 | A | 86.5 | Confident | 80.2 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | trans | -75.9 | 149.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H206 I311 | H206-A232 HydrophobicContact CB-CB 3.93Å; H206-A232 WeakPolarHBondContact O-CB 3.34Å; H206-A232 PolarHBondContact O-N 2.67Å; A232-I311 HydrophobicContact CB-CB 4.07Å; A232-I311 HydrophobicContact CB-CD1 4.35Å; A232-I311 HydrophobicContact CB-CG2 4.14Å | ||
| 233 | V | 87.2 | Confident | 81.8 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -118.6 | -18.1 | 179.7 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | L207 L259 T263 L265 A312 P314 | L207-V233 VanDerWaalsContact CD1-O 3.29Å; L207-V233 WeakPolarHBondContact CD1-O 3.35Å; V233-L259 HydrophobicContact CG1-CD2 4.39Å; V233-T263 HydrophobicContact CG1-CG2 3.36Å; V233-L265 HydrophobicContact CG1-CD1 3.75Å; V233-A312 PolarHBondContact N-O 3.24Å; V233-P314 VanDerWaalsContact CG2-CD 3.46Å; V233-P314 HydrophobicContact CG2-CG 4.09Å |
| 234 | A | 89.6 | Confident | 83.3 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 156.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L257 L259 I311 A312 | A234-L257 HydrophobicContact CB-CB 4.06Å; A234-L257 HydrophobicContact CB-CD1 3.73Å; A234-L259 HydrophobicContact CB-CD2 3.78Å; A234-I311 WeakPolarHBondContact O-CA 3.47Å; A234-A312 HydrophobicContact CB-CB 4.16Å; A234-A312 PolarHBondContact N-O 2.82Å; A234-A312 PolarHBondContact O-N 2.79Å |
| 235 | A | 91.9 | Very high | 84.7 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 140.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V202 P203 W310 I311 | V202-A235 WeakPolarHBondContact CG1-O 3.47Å; P203-A235 WeakPolarHBondContact CD-O 3.47Å; A235-W310 CarbonylContact C-O 3.58Å; A235-W310 WeakPolarHBondContact CA-O 3.45Å; A235-I311 HydrophobicContact CB-CG2 3.73Å |
| 236 | V | 93.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 128 | 175 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | L200 T201 V202 I238 I255 L257 Y309 W310 | L200-V236 HydrophobicContact CD2-CG2 3.79Å; L200-V236 HydrophobicContact CG-CG2 4.03Å; T201-V236 CarbonylContact O-C 3.58Å; T201-V236 WeakPolarHBondContact O-CA 3.36Å; T201-V236 WeakPolarHBondContact O-CG2 3.36Å; V202-V236 HydrophobicContact CG2-CG2 4.18Å; V236-I238 HydrophobicContact CB-CG1 4.48Å; V236-I238 HydrophobicContact CG1-CD1 4.02Å; V236-I238 HydrophobicContact CG1-CG1 4.07Å; V236-I238 HydrophobicContact CG2-CD1 4.31Å; V236-I238 HydrophobicContact CG2-CG1 3.68Å; V236-I255 HydrophobicContact CG1-CD1 4.48Å; V236-I255 HydrophobicContact CG1-CG2 4.02Å; V236-L257 HydrophobicContact CB-CD1 3.92Å; V236-L257 HydrophobicContact CB-CD2 3.71Å; V236-L257 HydrophobicContact CB-CG 4.45Å; V236-L257 HydrophobicContact CG1-CD1 3.8Å; V236-L257 HydrophobicContact CG1-CD2 3.96Å; V236-L257 HydrophobicContact CG1-CG 4.37Å; V236-L257 HydrophobicContact CG2-CD2 3.97Å; V236-Y309 WeakPolarHBondContact O-CD2 3.32Å; V236-W310 HydrophobicContact CG1-CB 4.19Å; V236-W310 PolarHBondContact N-O 3.4Å; V236-W310 PolarHBondContact O-N 2.97Å |
| 237 | S | 93.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.1 | 164 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | H151 T201 | H151-S237 WeakPolarHBondContact NE2-CB 3.25Å; H151-S237 PolarHBondContact NE2-OG 2.85Å; T201-S237 PolarHBondContact N-O 3.03Å; T201-S237 PolarHBondContact O-N 2.84Å |
| 238 | I | 94.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.8 | 179 | -42 | 162.2 | 0 | 0 | 0 | 108.1 | I165 A178 Y199 L200 V236 I255 L307 G308 | I165-I238 HydrophobicContact CD1-CG2 4.1Å; A178-I238 HydrophobicContact CB-CD1 3.77Å; Y199-I238 WeakPolarHBondContact O-CA 3.39Å; L200-I238 HydrophobicContact CG-CG1 4.39Å; V236-I238 HydrophobicContact CB-CG1 4.48Å; V236-I238 HydrophobicContact CG1-CD1 4.02Å; V236-I238 HydrophobicContact CG1-CG1 4.07Å; V236-I238 HydrophobicContact CG2-CD1 4.31Å; V236-I238 HydrophobicContact CG2-CG1 3.68Å; I238-I255 HydrophobicContact CD1-CD1 3.76Å; I238-I255 HydrophobicContact CD1-CG1 3.93Å; I238-L307 HydrophobicContact CB-CD2 4.14Å; I238-L307 HydrophobicContact CG2-CD2 3.8Å; I238-G308 PolarHBondContact N-O 2.79Å; I238-G308 PolarHBondContact O-N 2.94Å |
| 239 | Q | 93 | Very high | 88.2 | Confident | 24 Ų | 24 | 39 Ų | 39 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 154.7 | 174.4 | -66.5 | -177.3 | -68.8 | 0 | 0 | 110.5 | H151 Y199 Y241 E246 | H151-Q239 PolarHBondContact CE1-OE1 3.02Å; H151-Q239 PolarHBondContact NE2-OE1 3.21Å; Y199-Q239 PolarHBondContact N-O 2.85Å; Y199-Q239 PolarHBondContact O-N 3.42Å; Q239-Y241 HydrophobicContact CB-CD2 4.36Å; Q239-Y241 HydrophobicContact CB-CE2 3.82Å; Q239-Y241 PolarHBondContact NE2-OH 2.94Å; Q239-E246 PolarHBondContact NE2-OE1 3.18Å |
| 240 | L | 92.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.2 | 176.7 | -177.3 | 67.9 | 0 | 0 | 0 | 108.4 | I156 F180 L185 A198 L247 V249 L307 | I156-L240 HydrophobicContact CD1-CD1 3.75Å; F180-L240 HydrophobicContact CZ-CD2 4.3Å; L185-L240 HydrophobicContact CD2-CD2 3.48Å; L185-L240 VanDerWaalsContact CD2-CD2 3.48Å; A198-L240 HydrophobicContact CB-CD1 4.08Å; L240-L247 HydrophobicContact CB-CB 4.44Å; L240-L247 HydrophobicContact CD2-CB 4.2Å; L240-L247 HydrophobicContact CD2-CD1 3.98Å; L240-L247 HydrophobicContact CG-CB 4.27Å; L240-L247 HydrophobicContact CG-CD1 4.19Å; L240-L247 PolarHBondContact O-N 3.06Å; L240-V249 HydrophobicContact CD2-CG2 3.96Å; L240-L307 HydrophobicContact CB-CD1 3.88Å |
| 241 | Y | 89.9 | Confident | 89 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 13% | 0.129 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.9 | 179.5 | -72.4 | -102.1 | 0 | 0 | 0 | 110.4 | L196 M197 Y199 Q239 Q245 E246 | L196-Y241 CarbonylContact C-O 3.58Å; L196-Y241 WeakPolarHBondContact CA-O 3.38Å; M197-Y241 PolarHBondContact N-O 3.38Å; M197-Y241 PolarHBondContact O-N 2.92Å; Y199-Y241 AromaticContact CD2-CD2 3.79Å; Y199-Y241 HydrophobicContact CD2-CD2 3.79Å; Y199-Y241 AromaticContact CD2-CE2 3.96Å; Y199-Y241 HydrophobicContact CD2-CE2 3.96Å; Y199-Y241 AromaticContact CE2-CD2 3.75Å; Y199-Y241 HydrophobicContact CE2-CD2 3.75Å; Y199-Y241 HydrophobicContact CE2-CE2 4.07Å; Q239-Y241 HydrophobicContact CB-CD2 4.36Å; Q239-Y241 HydrophobicContact CB-CE2 3.82Å; Q239-Y241 PolarHBondContact NE2-OH 2.94Å; Y241-Q245 CarbonylContact C-O 3.59Å; Y241-Q245 VanDerWaalsContact CA-O 3.28Å; Y241-Q245 WeakPolarHBondContact CA-O 3.33Å; Y241-E246 HydrophobicContact CD1-CB 4.08Å; Y241-E246 HydrophobicContact CE1-CB 3.8Å; Y241-E246 HydrophobicContact CE1-CG 4.34Å; Y241-E246 HydrophobicContact CE2-CG 4.4Å |
| 242 | S | 88.8 | Confident | 89.5 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 101.9 | 167.1 | 178 | 0 | 0 | 0 | 0 | 108.1 | S244 Q245 | S242-S244 PolarHBondContact O-N 3.39Å; S242-Q245 PolarHBondContact N-O 3.32Å; S242-Q245 PolarHBondContact O-N 3.02Å |
| 243 | G | 83.5 | Confident | 89.9 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 51% | 0.505 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -120.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S195 | S195-G243 PolarHBondContact O-N 3.07Š|
| 244 | S | 79.1 | Confident | 90.3 | Very high | 118 Ų | 118 | 44.9 Ų | 44.9 | 83% | 0.825 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.6 | 178.4 | 53.8 | 0 | 0 | 0 | 0 | 115.1 | S242 | S242-S244 PolarHBondContact O-N 3.39Š|
| 245 | Q | 85.4 | Confident | 90.6 | Very high | 139 Ų | 139 | 44.6 Ų | 44.6 | 65% | 0.65 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.8 | -177 | -171.9 | 174.1 | 12.5 | 0 | 0 | 111.8 | Y241 S242 | Y241-Q245 CarbonylContact C-O 3.59Å; Y241-Q245 VanDerWaalsContact CA-O 3.28Å; Y241-Q245 WeakPolarHBondContact CA-O 3.33Å; S242-Q245 PolarHBondContact N-O 3.32Å; S242-Q245 PolarHBondContact O-N 3.02Å |
| 246 | E | 87.5 | Confident | 90.7 | Very high | 70 Ų | 70 | 45 Ų | 45 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 130.2 | 172.3 | -167.9 | -171.5 | -142.3 | 0 | 0 | 110.9 | Q239 Y241 Q248 | Q239-E246 PolarHBondContact NE2-OE1 3.18Å; Y241-E246 HydrophobicContact CD1-CB 4.08Å; Y241-E246 HydrophobicContact CE1-CB 3.8Å; Y241-E246 HydrophobicContact CE1-CG 4.34Å; Y241-E246 HydrophobicContact CE2-CG 4.4Å; E246-Q248 PolarHBondContact OE2-NE2 2.71Å |
| 247 | L | 88.9 | Confident | 90.6 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | trans | -92.5 | 106.5 | 176.6 | -66.8 | -174.8 | 0 | 0 | 0 | 110.8 | V187 L196 L240 V249 | V187-L247 HydrophobicContact CG2-CD1 3.9Å; L196-L247 HydrophobicContact CD2-CD1 3.5Å; L240-L247 HydrophobicContact CB-CB 4.44Å; L240-L247 HydrophobicContact CD2-CB 4.2Å; L240-L247 HydrophobicContact CD2-CD1 3.98Å; L240-L247 HydrophobicContact CG-CB 4.27Å; L240-L247 HydrophobicContact CG-CD1 4.19Å; L240-L247 PolarHBondContact O-N 3.06Å; L247-V249 VanDerWaalsContact C-N 3.25Å; L247-V249 HydrophobicContact CB-CG2 4.48Å; L247-V249 PolarHBondContact O-N 3.13Å | ||
| 248 | Q | 89.3 | Confident | 90.5 | Very high | 101 Ų | 101 | 46.8 Ų | 46.8 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | trans | -76.8 | 67 | -179.7 | -74.7 | -74.2 | -34.9 | 0 | 0 | 112.5 | E246 R250 | E246-Q248 PolarHBondContact OE2-NE2 2.71Å; Q248-R250 PolarHBondContact O-N 3.2Å | ||
| 249 | V | 90.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | trans | -64 | 123.4 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | F180 L184 L185 L240 L247 I253 H306 L307 | F180-V249 HydrophobicContact CD2-CG1 3.91Å; F180-V249 HydrophobicContact CE2-CG1 3.8Å; F180-V249 HydrophobicContact CE2-CG2 4.33Å; F180-V249 HydrophobicContact CG-CG1 4.5Å; F180-V249 HydrophobicContact CZ-CG1 4.32Å; F180-V249 HydrophobicContact CZ-CG2 4.39Å; L184-V249 HydrophobicContact CB-CG1 3.74Å; L184-V249 HydrophobicContact CD1-CG1 4.45Å; L185-V249 HydrophobicContact CD2-CG2 4.2Å; L240-V249 HydrophobicContact CD2-CG2 3.96Å; L247-V249 VanDerWaalsContact C-N 3.25Å; L247-V249 HydrophobicContact CB-CG2 4.48Å; L247-V249 PolarHBondContact O-N 3.13Å; V249-I253 HydrophobicContact CG1-CD1 4.28Å; V249-H306 WeakPolarHBondContact O-CA 3.35Å; V249-L307 HydrophobicContact CB-CD1 3.75Å; V249-L307 HydrophobicContact CB-CG 3.97Å; V249-L307 HydrophobicContact CG1-CD1 4.49Å; V249-L307 HydrophobicContact CG2-CD1 3.85Å; V249-L307 PolarHBondContact O-N 2.89Å; V249-L307 VanDerWaalsContact O-N 3.16Å | ||
| 250 | R | 91.1 | Very high | 89.3 | Confident | 174 Ų | 174 | 50.2 Ų | 50.2 | 66% | 0.657 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.8 | 178.2 | -68.2 | -179.8 | 173.6 | -120.6 | -10.3 | 110.6 | Q248 S305 H306 | Q248-R250 PolarHBondContact O-N 3.2Å; R250-S305 WeakPolarHBondContact CA-O 3.45Å; R250-H306 HydrophobicContact CG-CB 4.18Å |
| 251 | G | 89.2 | Confident | 87.8 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 24% | 0.237 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.1 | -173 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I253 S305 | G251-I253 PolarHBondContact O-N 2.78Å; G251-I253 VanDerWaalsContact O-N 3.13Å; G251-S305 PolarHBondContact N-O 3.16Å; G251-S305 CarbonylContact O-C 3.52Å; G251-S305 VanDerWaalsContact O-C 3.27Å; G251-S305 WeakPolarHBondContact O-CA 3.32Å |
| 252 | P | 93.2 | Very high | 86.4 | Confident | 76 Ų | 76 | 62 Ų | 62 | 49% | 0.494 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 106.4 | -175.1 | 28.1 | -35.1 | 0 | 0 | 0 | 112.1 | P181 T303 | P181-P252 WeakPolarHBondContact CD-O 3.47Å; P252-T303 HydrophobicContact CB-CG2 3.74Å |
| 253 | I | 95.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109.4 | 177.3 | -62.4 | 146.2 | 0 | 0 | 0 | 108.6 | A178 K179 F180 V249 G251 I255 T303 A304 L307 | A178-I253 HydrophobicContact CB-CG2 4.25Å; K179-I253 CarbonylContact O-C 3.54Å; F180-I253 HydrophobicContact CB-CB 4.21Å; F180-I253 HydrophobicContact CB-CG1 3.66Å; F180-I253 HydrophobicContact CB-CG2 4.36Å; F180-I253 HydrophobicContact CD1-CG1 4.36Å; F180-I253 HydrophobicContact CD1-CG2 4.35Å; F180-I253 HydrophobicContact CG-CG1 4.14Å; V249-I253 HydrophobicContact CG1-CD1 4.28Å; G251-I253 PolarHBondContact O-N 2.78Å; G251-I253 VanDerWaalsContact O-N 3.13Å; I253-I255 HydrophobicContact CG2-CG1 4.22Å; I253-I255 PolarHBondContact O-N 2.8Å; I253-T303 CarbonylContact O-C 3.59Å; I253-T303 WeakPolarHBondContact O-CA 3.38Å; I253-A304 HydrophobicContact CB-CB 4.35Å; I253-A304 PolarHBondContact N-O 3.19Å; I253-A304 PolarHBondContact O-N 2.91Å; I253-L307 HydrophobicContact CD1-CD2 4.01Å; I253-L307 HydrophobicContact CD1-CG 3.98Å; I253-L307 HydrophobicContact CG2-CD2 4.05Å |
| 254 | Q | 95.7 | Very high | 84.7 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 102.8 | 176.1 | -176.1 | -176.3 | -5.7 | 0 | 0 | 109.9 | A178 K179 T301 | A178-Q254 CarbonylContact C-O 3.57Å; A178-Q254 WeakPolarHBondContact CA-O 3.46Å; K179-Q254 PolarHBondContact N-O 2.89Å; K179-Q254 PolarHBondContact O-N 3.07Å; Q254-T301 HydrophobicContact CG-CG2 4.05Å |
| 255 | I | 95.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 138 | 170.9 | -58.9 | 179.9 | 0 | 0 | 0 | 108.8 | V236 I238 I253 L257 W300 T301 Y302 A304 W310 | V236-I255 HydrophobicContact CG1-CD1 4.48Å; V236-I255 HydrophobicContact CG1-CG2 4.02Å; I238-I255 HydrophobicContact CD1-CD1 3.76Å; I238-I255 HydrophobicContact CD1-CG1 3.93Å; I253-I255 HydrophobicContact CG2-CG1 4.22Å; I253-I255 PolarHBondContact O-N 2.8Å; I255-L257 HydrophobicContact CG2-CD1 4.31Å; I255-L257 HydrophobicContact CG2-CD2 4.12Å; I255-L257 HydrophobicContact CG2-CG 3.9Å; I255-W300 HydrophobicContact CG2-CZ3 4.12Å; I255-T301 WeakPolarHBondContact O-CA 3.47Å; I255-Y302 PolarHBondContact N-O 3Å; I255-Y302 PolarHBondContact O-N 2.81Å; I255-A304 HydrophobicContact CD1-CB 3.65Å; I255-A304 HydrophobicContact CG1-CB 4.17Å; I255-W310 HydrophobicContact CD1-CB 4.43Å; I255-W310 HydrophobicContact CD1-CD2 4.46Å; I255-W310 HydrophobicContact CD1-CG 4Å |
| 256 | S | 93.8 | Very high | 84.6 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 120.9 | 171.3 | -67 | 0 | 0 | 0 | 0 | 110.3 | K177 W300 | K177-S256 PolarHBondContact N-O 2.94Å; K177-S256 PolarHBondContact O-N 2.94Å; S256-W300 WeakPolarHBondContact CA-O 3.46Å |
| 257 | L | 92.4 | Very high | 84.4 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.8 | -178.5 | -56.6 | 177.5 | 0 | 0 | 0 | 110.4 | P176 A234 V236 I255 V299 W300 | P176-L257 HydrophobicContact CB-CD2 4.06Å; A234-L257 HydrophobicContact CB-CB 4.06Å; A234-L257 HydrophobicContact CB-CD1 3.73Å; V236-L257 HydrophobicContact CB-CD1 3.92Å; V236-L257 HydrophobicContact CB-CD2 3.71Å; V236-L257 HydrophobicContact CB-CG 4.45Å; V236-L257 HydrophobicContact CG1-CD1 3.8Å; V236-L257 HydrophobicContact CG1-CD2 3.96Å; V236-L257 HydrophobicContact CG1-CG 4.37Å; V236-L257 HydrophobicContact CG2-CD2 3.97Å; I255-L257 HydrophobicContact CG2-CD1 4.31Å; I255-L257 HydrophobicContact CG2-CD2 4.12Å; I255-L257 HydrophobicContact CG2-CG 3.9Å; L257-V299 CarbonylContact O-C 3.55Å; L257-V299 WeakPolarHBondContact O-CA 3.36Å; L257-W300 HydrophobicContact CB-CE3 4.44Å; L257-W300 HydrophobicContact CD1-CE3 4Å; L257-W300 HydrophobicContact CD1-CZ3 4Å; L257-W300 HydrophobicContact CG-CE3 4.22Å; L257-W300 HydrophobicContact CG-CZ3 4.48Å; L257-W300 PolarHBondContact N-O 3.26Å; L257-W300 PolarHBondContact O-N 2.69Å |
| 258 | P | 90.1 | Very high | 84.2 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 25% | 0.253 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 145.9 | 168.1 | 29.4 | -32.7 | 0 | 0 | 0 | 110.1 | S174 P176 | S174-P258 WeakPolarHBondContact O-CD 3.3Å; P176-P258 HydrophobicContact CG-CG 4.03Å |
| 259 | L | 87.1 | Confident | 84 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | trans | -108.2 | 144.1 | 175.2 | -57.7 | -175.6 | 0 | 0 | 0 | 109.4 | V233 A234 L265 V291 L298 W300 | V233-L259 HydrophobicContact CG1-CD2 4.39Å; A234-L259 HydrophobicContact CB-CD2 3.78Å; L259-L265 HydrophobicContact CD1-CD1 3.83Å; L259-V291 HydrophobicContact CD1-CG1 3.88Å; L259-V291 HydrophobicContact CD1-CG2 3.87Å; L259-L298 HydrophobicContact CB-CB 4.22Å; L259-L298 WeakPolarHBondContact CB-O 3.34Å; L259-L298 HydrophobicContact CD1-CB 4.3Å; L259-L298 PolarHBondContact N-O 3.46Å; L259-W300 HydrophobicContact CD1-CB 4.18Å; L259-W300 HydrophobicContact CD2-CB 3.79Å; L259-W300 HydrophobicContact CG-CB 4.12Å | ||
| 260 | E | 76 | Confident | 84 | Confident | 89 Ų | 89 | 73.7 Ų | 73.7 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | trans | -68.5 | 144.7 | 176.3 | -70.7 | -177.7 | -178 | 0 | 0 | 112 | L207 N262 T263 | L207-E260 VanDerWaalsContact CD2-CD 3.47Å; L207-E260 HydrophobicContact CD2-CG 3.89Å; L207-E260 WeakPolarHBondContact CD2-OE1 3.32Å; E260-N262 PolarHBondContact O-N 3.06Å; E260-T263 WeakPolarHBondContact O-CB 3.45Å; E260-T263 VanDerWaalsContact O-CG2 3.24Å; E260-T263 WeakPolarHBondContact O-CG2 3.45Å; E260-T263 PolarHBondContact O-N 2.87Å; E260-T263 PolarHBondContact O-OG1 2.84Å | ||
| 261 | H | 62.1 | Low | 84 | Confident | 153 Ų | 153 | 65.5 Ų | 65.5 | 71% | 0.708 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20 | -178.8 | -57.4 | 97.1 | 0 | 0 | 0 | 114.5 | T263 | H261-T263 VanDerWaalsContact C-N 3.29Å; H261-T263 PolarHBondContact O-N 2.93Å |
| 262 | N | 60.1 | Low | 84.1 | Confident | 130 Ų | 130 | 64.8 Ų | 64.8 | 70% | 0.695 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 4.4 | 178.9 | -73 | -58.5 | 0 | 0 | 0 | 114.3 | E260 | E260-N262 PolarHBondContact O-N 3.06Š|
| 263 | T | 64.3 | Low | 84.1 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | trans | -80.4 | 131.8 | 180 | 58.6 | 0 | 0 | 0 | 0 | 110.9 | V233 E260 H261 L265 | V233-T263 HydrophobicContact CG1-CG2 3.36Å; E260-T263 WeakPolarHBondContact O-CB 3.45Å; E260-T263 VanDerWaalsContact O-CG2 3.24Å; E260-T263 WeakPolarHBondContact O-CG2 3.45Å; E260-T263 PolarHBondContact O-N 2.87Å; E260-T263 PolarHBondContact O-OG1 2.84Å; H261-T263 VanDerWaalsContact C-N 3.29Å; H261-T263 PolarHBondContact O-N 2.93Å; T263-L265 PolarHBondContact O-N 2.92Å | ||
| 264 | H | 71.3 | Confident | 84 | Confident | 189 Ų | 189 | 61.2 Ų | 61.2 | 88% | 0.875 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -73.1 | 31.3 | 176.4 | -63.3 | -56.8 | 0 | 0 | 0 | 113.4 | ||
| 265 | L | 80.3 | Confident | 83.9 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | trans | -100.8 | 158.7 | -178.4 | -63.3 | 173.9 | 0 | 0 | 0 | 110.1 | V233 L259 T263 H269 V271 V291 | V233-L265 HydrophobicContact CG1-CD1 3.75Å; L259-L265 HydrophobicContact CD1-CD1 3.83Å; T263-L265 PolarHBondContact O-N 2.92Å; L265-H269 HydrophobicContact CD2-CB 4.31Å; L265-V271 HydrophobicContact CD1-CG2 3.77Å; L265-V271 HydrophobicContact CD2-CG2 3.9Å; L265-V291 HydrophobicContact CD1-CG2 4.25Å | ||
| 266 | R | 82.5 | Confident | 83.7 | Confident | 183 Ų | 183 | 57.9 Ų | 57.9 | 69% | 0.691 | 30% | 0.298 | S | S | * | . | trans | -131.5 | 164.3 | 173.1 | -59.7 | 179.7 | 173.7 | -177.8 | -3.3 | 108.7 | H269 | R266-H269 PolarHBondContact N-ND1 2.91Å; R266-H269 VanDerWaalsContact O-CB 3.3Å; R266-H269 WeakPolarHBondContact O-CB 3.29Å; R266-H269 PolarHBondContact O-N 2.88Å; R266-H269 VanDerWaalsContact O-N 3.15Å | ||
| 267 | S | 82.6 | Confident | 83.5 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 143 | 164 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | H269 | S267-H269 PolarHBondContact O-N 2.85Š|
| 268 | S | 84.7 | Confident | 83.3 | Confident | 97 Ų | 97 | 63.4 Ų | 63.4 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | -3.9 | -173.5 | 85.2 | 0 | 0 | 0 | 0 | 117.4 | V291 | S268-V291 PolarHBondContact N-O 2.82Š|
| 269 | H | 86.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 70 Ų | 70 | 34% | 0.343 | 35% | 0.352 | S | S | . | . | trans | -63.2 | 139.5 | 168.8 | -74.1 | -159.8 | 0 | 0 | 0 | 111.1 | L265 R266 S267 V291 | L265-H269 HydrophobicContact CD2-CB 4.31Å; R266-H269 PolarHBondContact N-ND1 2.91Å; R266-H269 VanDerWaalsContact O-CB 3.3Å; R266-H269 WeakPolarHBondContact O-CB 3.29Å; R266-H269 PolarHBondContact O-N 2.88Å; R266-H269 VanDerWaalsContact O-N 3.15Å; S267-H269 PolarHBondContact O-N 2.85Å; H269-V291 HydrophobicContact CB-CG2 4.4Å; H269-V291 WeakPolarHBondContact O-CG2 3.43Å; H269-V291 PolarHBondContact O-N 2.78Å | ||
| 270 | T | 90 | Very high | 83 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.7 | 171.6 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | L288 G289 I290 | T270-L288 HydrophobicContact CG2-CD1 4.49Å; T270-G289 CarbonylContact C-O 3.59Å; T270-G289 VanDerWaalsContact CA-O 3.27Å; T270-G289 WeakPolarHBondContact CA-O 3.14Å; T270-I290 HydrophobicContact CG2-CG1 4.43Å |
| 271 | V | 90.8 | Very high | 83.4 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.5 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | L265 G289 V291 W300 A312 | L265-V271 HydrophobicContact CD1-CG2 3.77Å; L265-V271 HydrophobicContact CD2-CG2 3.9Å; V271-G289 PolarHBondContact N-O 2.72Å; V271-G289 PolarHBondContact O-N 2.96Å; V271-V291 HydrophobicContact CG2-CG2 3.96Å; V271-W300 PolarHBondContact O-NE1 2.03Å; V271-A312 HydrophobicContact CG1-CB 4.06Å |
| 272 | P | 91.8 | Very high | 84.5 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 139.7 | 179.2 | -22.9 | 31.3 | 0 | 0 | 0 | 114 | W274 G287 L288 A312 A313 | P272-W274 HydrophobicContact CB-CZ2 4.44Å; P272-G287 CarbonylContact C-O 3.48Å; P272-G287 VanDerWaalsContact CA-O 3.27Å; P272-G287 WeakPolarHBondContact CA-O 3.3Å; P272-L288 HydrophobicContact CB-CD2 4.13Å; P272-L288 HydrophobicContact CG-CD2 3.82Å; P272-A312 WeakPolarHBondContact O-CA 3.5Å; P272-A313 WeakPolarHBondContact CB-O 3.35Å; P272-A313 WeakPolarHBondContact CD-O 3.27Å; P272-A313 PolarHBondContact O-N 3.26Å |
| 273 | A | 93.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | H286 G287 W300 Y302 W310 | A273-H286 PolarHBondContact O-N 2.9Å; A273-G287 PolarHBondContact N-O 3.36Å; A273-W300 HydrophobicContact CB-CH2 4.11Å; A273-W300 HydrophobicContact CB-CZ2 3.75Å; A273-Y302 HydrophobicContact CB-CD1 3.67Å; A273-Y302 HydrophobicContact CB-CD2 3.66Å; A273-Y302 HydrophobicContact CB-CE1 3.52Å; A273-Y302 HydrophobicContact CB-CE2 3.52Å; A273-Y302 HydrophobicContact CB-CG 3.73Å; A273-Y302 VanDerWaalsContact CB-CZ 3.46Å; A273-W310 HydrophobicContact CB-CZ3 4.4Å |
| 274 | W | 92.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.3 | 178.7 | -45.5 | 73.1 | 0 | 0 | 0 | 110.3 | I219 L230 P272 W283 E284 N285 W310 I311 A313 H315 | I219-W274 HydrophobicContact CD1-CH2 3.9Å; I219-W274 HydrophobicContact CG1-CH2 3.72Å; I219-W274 HydrophobicContact CG1-CZ3 3.96Å; L230-W274 HydrophobicContact CD1-CB 4.47Å; L230-W274 HydrophobicContact CD1-CD2 3.5Å; L230-W274 VanDerWaalsContact CD1-CD2 3.5Å; L230-W274 HydrophobicContact CD1-CE3 3.67Å; L230-W274 HydrophobicContact CD1-CG 3.87Å; L230-W274 HydrophobicContact CD1-CH2 4.31Å; L230-W274 HydrophobicContact CD1-CZ2 4.17Å; L230-W274 HydrophobicContact CD1-CZ3 4.07Å; L230-W274 HydrophobicContact CD2-CD2 4.26Å; L230-W274 HydrophobicContact CD2-CE3 4.44Å; L230-W274 HydrophobicContact CD2-CH2 3.57Å; L230-W274 HydrophobicContact CD2-CZ2 3.33Å; L230-W274 HydrophobicContact CD2-CZ3 4.13Å; L230-W274 HydrophobicContact CG-CZ2 4.4Å; P272-W274 HydrophobicContact CB-CZ2 4.44Å; W274-W283 HydrophobicContact CB-CB 4.1Å; W274-W283 HydrophobicContact CB-CE3 4.17Å; W274-W283 HydrophobicContact CE3-CB 4.41Å; W274-E284 CarbonylContact C-O 3.56Å; W274-E284 VanDerWaalsContact CA-O 3.23Å; W274-E284 WeakPolarHBondContact CA-O 3.06Å; W274-N285 HydrophobicContact CD2-CB 4.2Å; W274-N285 HydrophobicContact CE3-CB 3.7Å; W274-N285 HydrophobicContact CH2-CB 4.22Å; W274-N285 HydrophobicContact CZ3-CB 3.72Å; W274-W310 CarbonylContact O-C 3.54Å; W274-W310 VanDerWaalsContact O-CA 3.32Å; W274-W310 WeakPolarHBondContact O-CA 3.46Å; W274-I311 HydrophobicContact CB-CD1 4.43Å; W274-I311 HydrophobicContact CB-CG1 3.82Å; W274-I311 HydrophobicContact CG-CG1 4.26Å; W274-I311 PolarHBondContact N-O 2.83Å; W274-I311 PolarHBondContact O-N 3.48Å; W274-A313 PolarHBondContact NE1-O 2.78Å; W274-H315 AromaticContact CH2-CE1 3.74Å; W274-H315 AromaticContact CH2-ND1 3.78Å; W274-H315 AromaticContact CZ2-CE1 3.43Å; W274-H315 VanDerWaalsContact CZ2-CE1 3.43Å; W274-H315 WeakPolarHBondContact CZ2-CE1 3.36Å; W274-H315 AromaticContact CZ2-ND1 3.42Å; W274-H315 WeakPolarHBondContact CZ2-ND1 3.41Å |
| 275 | A | 93.4 | Very high | 88.1 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 145.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | W283 E284 H286 Y309 W310 | A275-W283 CarbonylContact O-C 3.56Å; A275-W283 WeakPolarHBondContact O-CA 3.4Å; A275-E284 PolarHBondContact N-O 3.01Å; A275-E284 PolarHBondContact O-N 3.06Å; A275-H286 VanDerWaalsContact CB-CD2 3.47Å; A275-H286 WeakPolarHBondContact CB-CD2 3.35Å; A275-Y309 WeakPolarHBondContact CA-O 3.35Å; A275-W310 HydrophobicContact CB-CD2 4.09Å; A275-W310 HydrophobicContact CB-CE3 3.93Å; A275-W310 HydrophobicContact CB-CH2 3.82Å; A275-W310 HydrophobicContact CB-CZ2 3.97Å; A275-W310 HydrophobicContact CB-CZ3 3.8Å |
| 276 | F | 91.6 | Very high | 88.6 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 119 | 172.2 | -169.5 | -114 | 0 | 0 | 0 | 110.4 | L120 P128 P130 L278 G281 A282 W283 Y309 | L120-F276 HydrophobicContact CD1-CE1 3.66Å; L120-F276 HydrophobicContact CD1-CZ 3.76Å; L120-F276 HydrophobicContact CD2-CE1 3.86Å; L120-F276 HydrophobicContact CD2-CZ 4.06Å; L120-F276 HydrophobicContact CG-CE1 4.41Å; L120-F276 HydrophobicContact CG-CZ 4.46Å; P128-F276 HydrophobicContact CB-CE1 4.34Å; P130-F276 HydrophobicContact CB-CE2 3.7Å; P130-F276 HydrophobicContact CB-CZ 3.75Å; P130-F276 HydrophobicContact CG-CD2 4.18Å; P130-F276 HydrophobicContact CG-CE2 3.58Å; P130-F276 HydrophobicContact CG-CZ 3.88Å; F276-L278 HydrophobicContact CD1-CD2 4.13Å; F276-L278 HydrophobicContact CE1-CD2 3.91Å; F276-G281 VanDerWaalsContact CE2-C 3.42Å; F276-G281 WeakPolarHBondContact CE2-O 3.24Å; F276-A282 WeakPolarHBondContact CD2-O 3.19Å; F276-W283 HydrophobicContact CB-CD2 4.18Å; F276-W283 HydrophobicContact CB-CE3 3.79Å; F276-W283 HydrophobicContact CB-CH2 3.78Å; F276-W283 HydrophobicContact CB-CZ2 4.16Å; F276-W283 HydrophobicContact CB-CZ3 3.59Å; F276-W283 AromaticContact CD2-CD2 3.92Å; F276-W283 HydrophobicContact CD2-CD2 3.92Å; F276-W283 AromaticContact CD2-CE2 3.76Å; F276-W283 HydrophobicContact CD2-CE3 4.39Å; F276-W283 HydrophobicContact CD2-CG 4.25Å; F276-W283 HydrophobicContact CD2-CZ2 4.11Å; F276-W283 AromaticContact CD2-NE1 3.97Å; F276-W283 HydrophobicContact CG-CH2 4.45Å; F276-W283 HydrophobicContact CG-CZ2 4.38Å; F276-Y309 HydrophobicContact CB-CD1 4.01Å; F276-Y309 HydrophobicContact CB-CG 4.33Å; F276-Y309 HydrophobicContact CD1-CD1 4.43Å; F276-Y309 HydrophobicContact CG-CD1 4.33Å; F276-Y309 PolarHBondContact N-O 3.27Å |
| 277 | N | 89.8 | Confident | 88.9 | Confident | 45 Ų | 45 | 43.2 Ų | 43.2 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 107.4 | 178.1 | -178.6 | -0.5 | 0 | 0 | 0 | 110.6 | K279 T280 G281 A282 E284 | N277-K279 PolarHBondContact O-N 3.35Å; N277-K279 WeakPolarHBondContact OD1-CB 3.46Å; N277-K279 PolarHBondContact OD1-N 2.77Å; N277-T280 WeakPolarHBondContact CB-OG1 3.44Å; N277-T280 PolarHBondContact O-N 2.89Å; N277-T280 PolarHBondContact O-OG1 3.35Å; N277-G281 PolarHBondContact O-N 3.38Å; N277-A282 PolarHBondContact N-O 2.95Å; N277-E284 HydrophobicContact CB-CG 4.42Å; N277-E284 VanDerWaalsContact CB-OE1 3.32Å; N277-E284 WeakPolarHBondContact CB-OE1 3.44Å; N277-E284 VanDerWaalsContact ND2-CD 3.34Å; N277-E284 PolarHBondContact ND2-OE1 2.85Å; N277-E284 PolarHBondContact ND2-OE2 2.98Å |
| 278 | L | 87.6 | Confident | 89.3 | Confident | 88 Ų | 88 | 45 Ų | 45 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.9 | 176.8 | -66.2 | 168.9 | 0 | 0 | 0 | 113.6 | Y88 L120 P128 F276 | Y88-L278 PolarHBondContact OH-O 2.8Å; L120-L278 HydrophobicContact CD2-CD2 3.96Å; P128-L278 HydrophobicContact CB-CD2 3.99Å; P128-L278 HydrophobicContact CG-CD2 4.12Å; F276-L278 HydrophobicContact CD1-CD2 4.13Å; F276-L278 HydrophobicContact CE1-CD2 3.91Å |
| 279 | K | 87.4 | Confident | 89.7 | Confident | 178 Ų | 178 | 40.3 Ų | 40.3 | 77% | 0.774 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -24.3 | 178.6 | -59.9 | -172.9 | 178.6 | -174 | 0 | 113.6 | N277 | N277-K279 PolarHBondContact O-N 3.35Å; N277-K279 WeakPolarHBondContact OD1-CB 3.46Å; N277-K279 PolarHBondContact OD1-N 2.77Å |
| 280 | T | 83.8 | Confident | 90 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -9.2 | -178.9 | 58 | 0 | 0 | 0 | 0 | 113 | Y88 H91 N277 A282 E284 | Y88-T280 VanDerWaalsContact CD1-C 3.5Å; H91-T280 WeakPolarHBondContact CA-O 3.42Å; H91-T280 WeakPolarHBondContact O-CA 3.32Å; N277-T280 WeakPolarHBondContact CB-OG1 3.44Å; N277-T280 PolarHBondContact O-N 2.89Å; N277-T280 PolarHBondContact O-OG1 3.35Å; T280-A282 PolarHBondContact O-N 3.38Å; T280-E284 WeakPolarHBondContact CG2-OE1 3.42Å; T280-E284 PolarHBondContact OG1-OE1 3.12Å |
| 281 | G | 83.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 20.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F276 N277 | F276-G281 VanDerWaalsContact CE2-C 3.42Å; F276-G281 WeakPolarHBondContact CE2-O 3.24Å; N277-G281 PolarHBondContact O-N 3.38Å |
| 282 | A | 85.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 172.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H91 I218 F276 N277 T280 | H91-A282 VanDerWaalsContact ND1-CB 3.27Å; H91-A282 WeakPolarHBondContact ND1-CB 3.38Å; I218-A282 HydrophobicContact CD1-CB 3.79Å; I218-A282 HydrophobicContact CG1-CB 3.95Å; F276-A282 WeakPolarHBondContact CD2-O 3.19Å; N277-A282 PolarHBondContact N-O 2.95Å; T280-A282 PolarHBondContact O-N 3.38Å |
| 283 | W | 90.1 | Very high | 90 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.5 | -177.9 | -63.4 | 96.2 | 0 | 0 | 0 | 111.8 | T215 P216 G217 I218 L230 W274 A275 F276 Y309 I311 | T215-W283 PolarHBondContact OG1-NE1 3.06Å; P216-W283 PolarHBondContact O-N 2.93Å; G217-W283 CarbonylContact C-O 3.27Å; G217-W283 WeakPolarHBondContact CA-O 2.99Å; I218-W283 PolarHBondContact N-O 2.87Å; L230-W283 HydrophobicContact CD1-CB 3.68Å; L230-W283 HydrophobicContact CD1-CG 4.14Å; W274-W283 HydrophobicContact CB-CB 4.1Å; W274-W283 HydrophobicContact CB-CE3 4.17Å; W274-W283 HydrophobicContact CE3-CB 4.41Å; A275-W283 CarbonylContact O-C 3.56Å; A275-W283 WeakPolarHBondContact O-CA 3.4Å; F276-W283 HydrophobicContact CB-CD2 4.18Å; F276-W283 HydrophobicContact CB-CE3 3.79Å; F276-W283 HydrophobicContact CB-CH2 3.78Å; F276-W283 HydrophobicContact CB-CZ2 4.16Å; F276-W283 HydrophobicContact CB-CZ3 3.59Å; F276-W283 AromaticContact CD2-CD2 3.92Å; F276-W283 HydrophobicContact CD2-CD2 3.92Å; F276-W283 AromaticContact CD2-CE2 3.76Å; F276-W283 HydrophobicContact CD2-CE3 4.39Å; F276-W283 HydrophobicContact CD2-CG 4.25Å; F276-W283 HydrophobicContact CD2-CZ2 4.11Å; F276-W283 AromaticContact CD2-NE1 3.97Å; F276-W283 HydrophobicContact CG-CH2 4.45Å; F276-W283 HydrophobicContact CG-CZ2 4.38Å; W283-Y309 AromaticContact CH2-CD1 3.58Å; W283-Y309 HydrophobicContact CH2-CD1 3.58Å; W283-Y309 AromaticContact CH2-CD2 3.89Å; W283-Y309 HydrophobicContact CH2-CD2 3.89Å; W283-Y309 AromaticContact CH2-CE1 3.56Å; W283-Y309 HydrophobicContact CH2-CE1 3.56Å; W283-Y309 AromaticContact CH2-CE2 3.87Å; W283-Y309 HydrophobicContact CH2-CE2 3.87Å; W283-Y309 AromaticContact CH2-CG 3.76Å; W283-Y309 HydrophobicContact CH2-CG 3.76Å; W283-Y309 AromaticContact CH2-CZ 3.71Å; W283-Y309 HydrophobicContact CZ2-CD1 4.06Å; W283-Y309 AromaticContact CZ2-CE1 3.7Å; W283-Y309 HydrophobicContact CZ2-CE1 3.7Å; W283-Y309 HydrophobicContact CZ3-CG 4.4Å; W283-I311 HydrophobicContact CD2-CD1 3.59Å; W283-I311 HydrophobicContact CD2-CG1 3.99Å; W283-I311 HydrophobicContact CE3-CD1 3.78Å; W283-I311 HydrophobicContact CE3-CG1 3.6Å; W283-I311 HydrophobicContact CE3-CG2 4.46Å; W283-I311 HydrophobicContact CG-CD1 3.99Å; W283-I311 HydrophobicContact CH2-CB 4.39Å; W283-I311 HydrophobicContact CH2-CD1 4.39Å; W283-I311 HydrophobicContact CH2-CG1 4.24Å; W283-I311 HydrophobicContact CH2-CG2 3.53Å; W283-I311 HydrophobicContact CZ2-CD1 4.23Å; W283-I311 HydrophobicContact CZ2-CG2 3.99Å; W283-I311 HydrophobicContact CZ3-CB 4.17Å; W283-I311 HydrophobicContact CZ3-CD1 4.17Å; W283-I311 HydrophobicContact CZ3-CG1 3.74Å; W283-I311 HydrophobicContact CZ3-CG2 3.79Å |
| 284 | E | 90.3 | Very high | 89.6 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 23% | 0.229 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.9 | -178.7 | -72 | 170.8 | -157.2 | 0 | 0 | 110.5 | I218 W274 A275 N277 T280 H286 | I218-E284 HydrophobicContact CB-CG 4.43Å; I218-E284 HydrophobicContact CD1-CG 4.32Å; W274-E284 CarbonylContact C-O 3.56Å; W274-E284 VanDerWaalsContact CA-O 3.23Å; W274-E284 WeakPolarHBondContact CA-O 3.06Å; A275-E284 PolarHBondContact N-O 3.01Å; A275-E284 PolarHBondContact O-N 3.06Å; N277-E284 HydrophobicContact CB-CG 4.42Å; N277-E284 VanDerWaalsContact CB-OE1 3.32Å; N277-E284 WeakPolarHBondContact CB-OE1 3.44Å; N277-E284 VanDerWaalsContact ND2-CD 3.34Å; N277-E284 PolarHBondContact ND2-OE1 2.85Å; N277-E284 PolarHBondContact ND2-OE2 2.98Å; T280-E284 WeakPolarHBondContact CG2-OE1 3.42Å; T280-E284 PolarHBondContact OG1-OE1 3.12Å; E284-H286 PolarHBondContact O-CD2 3.22Å; E284-H286 VanDerWaalsContact O-CD2 3.24Å; E284-H286 PolarHBondContact O-N 3.5Å |
| 285 | N | 90.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 50 Ų | 50 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 121.3 | -177.4 | -175.1 | -11.1 | 0 | 0 | 0 | 111.2 | W274 G287 H315 | W274-N285 HydrophobicContact CD2-CB 4.2Å; W274-N285 HydrophobicContact CE3-CB 3.7Å; W274-N285 HydrophobicContact CH2-CB 4.22Å; W274-N285 HydrophobicContact CZ3-CB 3.72Å; N285-G287 PolarHBondContact OD1-N 3.42Å; N285-G287 PolarHBondContact OD1-O 2.85Å; N285-H315 PolarHBondContact ND2-CE1 2.97Å |
| 286 | H | 90.4 | Very high | 88.5 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 38% | 0.375 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 16.1 | 179.5 | -72.3 | -76.6 | 0 | 0 | 0 | 113.9 | A273 A275 E284 Y302 W310 | A273-H286 PolarHBondContact O-N 2.9Å; A275-H286 VanDerWaalsContact CB-CD2 3.47Å; A275-H286 WeakPolarHBondContact CB-CD2 3.35Å; E284-H286 PolarHBondContact O-CD2 3.22Å; E284-H286 VanDerWaalsContact O-CD2 3.24Å; E284-H286 PolarHBondContact O-N 3.5Å; H286-Y302 WeakPolarHBondContact CB-OH 3.23Å; H286-Y302 PolarHBondContact O-OH 3.15Å; H286-W310 HydrophobicContact CB-CH2 3.96Å; H286-W310 HydrophobicContact CB-CZ3 3.88Å |
| 287 | G | 89.8 | Confident | 88.3 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.3 | -151 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P272 A273 N285 | P272-G287 CarbonylContact C-O 3.48Å; P272-G287 VanDerWaalsContact CA-O 3.27Å; P272-G287 WeakPolarHBondContact CA-O 3.3Å; A273-G287 PolarHBondContact N-O 3.36Å; N285-G287 PolarHBondContact OD1-N 3.42Å; N285-G287 PolarHBondContact OD1-O 2.85Å |
| 288 | L | 91.6 | Very high | 88.3 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.3 | -173.6 | -59 | 177.5 | 0 | 0 | 0 | 110.8 | T270 P272 | T270-L288 HydrophobicContact CG2-CD1 4.49Å; P272-L288 HydrophobicContact CB-CD2 4.13Å; P272-L288 HydrophobicContact CG-CD2 3.82Å |
| 289 | G | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 162.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T270 V271 T301 | T270-G289 CarbonylContact C-O 3.59Å; T270-G289 VanDerWaalsContact CA-O 3.27Å; T270-G289 WeakPolarHBondContact CA-O 3.14Å; V271-G289 PolarHBondContact N-O 2.72Å; V271-G289 PolarHBondContact O-N 2.96Å; G289-T301 CarbonylContact C-O 3.56Å; G289-T301 WeakPolarHBondContact CA-O 3.46Å |
| 290 | I | 93.2 | Very high | 88.8 | Confident | 82 Ų | 82 | 47 Ų | 47 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130 | -175.2 | -56.4 | 173.2 | 0 | 0 | 0 | 109.6 | T270 T301 | T270-I290 HydrophobicContact CG2-CG1 4.43Å; I290-T301 PolarHBondContact N-O 3.17Å; I290-T301 PolarHBondContact O-N 3.11Å |
| 291 | V | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128.2 | 172 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | L259 L265 S268 H269 V271 L298 | L259-V291 HydrophobicContact CD1-CG1 3.88Å; L259-V291 HydrophobicContact CD1-CG2 3.87Å; L265-V291 HydrophobicContact CD1-CG2 4.25Å; S268-V291 PolarHBondContact N-O 2.82Å; H269-V291 HydrophobicContact CB-CG2 4.4Å; H269-V291 WeakPolarHBondContact O-CG2 3.43Å; H269-V291 PolarHBondContact O-N 2.78Å; V271-V291 HydrophobicContact CG2-CG2 3.96Å; V291-L298 HydrophobicContact CG1-CB 4Å; V291-L298 HydrophobicContact CG1-CD1 4.33Å; V291-L298 HydrophobicContact CG1-CD2 4.13Å; V291-L298 HydrophobicContact CG1-CG 4.39Å |
| 292 | K | 90.9 | Very high | 89.9 | Confident | 100 Ų | 100 | 47.4 Ų | 47.4 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 145.7 | 175.6 | -61.3 | -177.5 | 179.5 | -177.4 | 0 | 109.4 | V294 L298 V299 | K292-V294 HydrophobicContact CB-CG2 4.49Å; K292-L298 CarbonylContact O-C 3.6Å; K292-L298 WeakPolarHBondContact O-CA 3.33Å; K292-V299 PolarHBondContact N-O 2.77Å; K292-V299 PolarHBondContact O-N 3.17Å |
| 293 | A | 88.9 | Confident | 90.3 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138.3 | 163 | 0 | 0 | 0 | 0 | 0 | 109 | L298 | A293-L298 HydrophobicContact CB-CD2 4.28Å |
| 294 | V | 85.6 | Confident | 90.6 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 87.3 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | K292 E297 V299 | K292-V294 HydrophobicContact CB-CG2 4.49Å; V294-E297 PolarHBondContact N-O 3.15Å; V294-V299 HydrophobicContact CB-CG2 3.97Å; V294-V299 HydrophobicContact CG2-CB 3.96Å; V294-V299 HydrophobicContact CG2-CG2 3.8Å |
| 295 | G | 82.5 | Confident | 90.7 | Very high | 68 Ų | 68 | 52 Ų | 52 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | -140.5 | -157 | 0 | 0 | 0 | 0 | 0 | 109.6 | E297 | G295-E297 VanDerWaalsContact C-N 3.32Š|
| 296 | D | 80.6 | Confident | 90.9 | Very high | 169 Ų | 169 | 51 Ų | 51 | 90% | 0.904 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13.3 | -179.7 | -55.2 | -45.8 | 0 | 0 | 0 | 113.5 | ||
| 297 | E | 86.5 | Confident | 91 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 146.6 | -180 | -72.6 | -169.2 | -123.8 | 0 | 0 | 113.2 | S174 V294 G295 | S174-E297 WeakPolarHBondContact CB-OE1 3.36Å; S174-E297 WeakPolarHBondContact CB-OE2 3.43Å; S174-E297 PolarHBondContact OG-OE1 2.85Å; S174-E297 PolarHBondContact OG-OE2 2.87Å; V294-E297 PolarHBondContact N-O 3.15Å; G295-E297 VanDerWaalsContact C-N 3.32Å |
| 298 | L | 89.5 | Confident | 91.2 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.3 | 170.8 | -64.9 | -179.5 | 0 | 0 | 0 | 110.4 | L259 V291 K292 A293 | L259-L298 HydrophobicContact CB-CB 4.22Å; L259-L298 WeakPolarHBondContact CB-O 3.34Å; L259-L298 HydrophobicContact CD1-CB 4.3Å; L259-L298 PolarHBondContact N-O 3.46Å; V291-L298 HydrophobicContact CG1-CB 4Å; V291-L298 HydrophobicContact CG1-CD1 4.33Å; V291-L298 HydrophobicContact CG1-CD2 4.13Å; V291-L298 HydrophobicContact CG1-CG 4.39Å; K292-L298 CarbonylContact O-C 3.6Å; K292-L298 WeakPolarHBondContact O-CA 3.33Å; A293-L298 HydrophobicContact CB-CD2 4.28Å |
| 299 | V | 91.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.5 | 179.4 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | L257 K292 V294 | L257-V299 CarbonylContact O-C 3.55Å; L257-V299 WeakPolarHBondContact O-CA 3.36Å; K292-V299 PolarHBondContact N-O 2.77Å; K292-V299 PolarHBondContact O-N 3.17Å; V294-V299 HydrophobicContact CB-CG2 3.97Å; V294-V299 HydrophobicContact CG2-CB 3.96Å; V294-V299 HydrophobicContact CG2-CG2 3.8Å |
| 300 | W | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 126.9 | 170.1 | 176.8 | 86.7 | 0 | 0 | 0 | 110 | I255 S256 L257 L259 V271 A273 Y302 A312 | I255-W300 HydrophobicContact CG2-CZ3 4.12Å; S256-W300 WeakPolarHBondContact CA-O 3.46Å; L257-W300 HydrophobicContact CB-CE3 4.44Å; L257-W300 HydrophobicContact CD1-CE3 4Å; L257-W300 HydrophobicContact CD1-CZ3 4Å; L257-W300 HydrophobicContact CG-CE3 4.22Å; L257-W300 HydrophobicContact CG-CZ3 4.48Å; L257-W300 PolarHBondContact N-O 3.26Å; L257-W300 PolarHBondContact O-N 2.69Å; L259-W300 HydrophobicContact CD1-CB 4.18Å; L259-W300 HydrophobicContact CD2-CB 3.79Å; L259-W300 HydrophobicContact CG-CB 4.12Å; V271-W300 PolarHBondContact O-NE1 2.03Å; A273-W300 HydrophobicContact CB-CH2 4.11Å; A273-W300 HydrophobicContact CB-CZ2 3.75Å; W300-Y302 VanDerWaalsContact CH2-CB 3.48Å; W300-Y302 AromaticContact CH2-CD1 3.94Å; W300-Y302 HydrophobicContact CH2-CD1 3.94Å; W300-Y302 AromaticContact CH2-CG 3.92Å; W300-Y302 HydrophobicContact CH2-CG 3.92Å; W300-Y302 HydrophobicContact CZ2-CD1 4.39Å; W300-Y302 AromaticContact CZ2-CG 3.99Å; W300-Y302 HydrophobicContact CZ2-CG 3.99Å; W300-A312 HydrophobicContact CD2-CB 3.63Å; W300-A312 HydrophobicContact CE3-CB 4.09Å; W300-A312 HydrophobicContact CG-CB 4.03Å; W300-A312 HydrophobicContact CH2-CB 4.08Å; W300-A312 HydrophobicContact CZ2-CB 3.63Å; W300-A312 HydrophobicContact CZ3-CB 4.3Å |
| 301 | T | 94.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.6 | 179.3 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | Q254 I255 G289 I290 | Q254-T301 HydrophobicContact CG-CG2 4.05Å; I255-T301 WeakPolarHBondContact O-CA 3.47Å; G289-T301 CarbonylContact C-O 3.56Å; G289-T301 WeakPolarHBondContact CA-O 3.46Å; I290-T301 PolarHBondContact N-O 3.17Å; I290-T301 PolarHBondContact O-N 3.11Å |
| 302 | Y | 95.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 39.3 Ų | 39.3 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 148.2 | 178.6 | 172.4 | -110.3 | 0 | 0 | 0 | 111 | I255 A273 H286 W300 A304 W310 | I255-Y302 PolarHBondContact N-O 3Å; I255-Y302 PolarHBondContact O-N 2.81Å; A273-Y302 HydrophobicContact CB-CD1 3.67Å; A273-Y302 HydrophobicContact CB-CD2 3.66Å; A273-Y302 HydrophobicContact CB-CE1 3.52Å; A273-Y302 HydrophobicContact CB-CE2 3.52Å; A273-Y302 HydrophobicContact CB-CG 3.73Å; A273-Y302 VanDerWaalsContact CB-CZ 3.46Å; H286-Y302 WeakPolarHBondContact CB-OH 3.23Å; H286-Y302 PolarHBondContact O-OH 3.15Å; W300-Y302 VanDerWaalsContact CH2-CB 3.48Å; W300-Y302 AromaticContact CH2-CD1 3.94Å; W300-Y302 HydrophobicContact CH2-CD1 3.94Å; W300-Y302 AromaticContact CH2-CG 3.92Å; W300-Y302 HydrophobicContact CH2-CG 3.92Å; W300-Y302 HydrophobicContact CZ2-CD1 4.39Å; W300-Y302 AromaticContact CZ2-CG 3.99Å; W300-Y302 HydrophobicContact CZ2-CG 3.99Å; Y302-A304 HydrophobicContact CD1-CB 4.16Å; Y302-A304 VanDerWaalsContact CE1-CA 3.44Å; Y302-A304 HydrophobicContact CE1-CB 3.89Å; Y302-W310 HydrophobicContact CD1-CE3 4.46Å; Y302-W310 HydrophobicContact CD1-CZ3 4.39Å; Y302-W310 AromaticContact CE1-CE3 3.89Å; Y302-W310 HydrophobicContact CE1-CE3 3.89Å; Y302-W310 AromaticContact CE1-CH2 3.81Å; Y302-W310 HydrophobicContact CE1-CH2 3.81Å; Y302-W310 AromaticContact CE1-CZ3 3.42Å; Y302-W310 HydrophobicContact CE1-CZ3 3.42Å; Y302-W310 VanDerWaalsContact CE1-CZ3 3.42Å |
| 303 | T | 95.9 | Very high | 91.2 | Very high | 85 Ų | 85 | 34.5 Ų | 34.5 | 52% | 0.521 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 95.8 | 174.3 | -52.9 | 0 | 0 | 0 | 0 | 109 | P252 I253 | P252-T303 HydrophobicContact CB-CG2 3.74Å; I253-T303 CarbonylContact O-C 3.59Å; I253-T303 WeakPolarHBondContact O-CA 3.38Å |
| 304 | A | 95.4 | Very high | 91 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 157.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I253 I255 Y302 W310 | I253-A304 HydrophobicContact CB-CB 4.35Å; I253-A304 PolarHBondContact N-O 3.19Å; I253-A304 PolarHBondContact O-N 2.91Å; I255-A304 HydrophobicContact CD1-CB 3.65Å; I255-A304 HydrophobicContact CG1-CB 4.17Å; Y302-A304 HydrophobicContact CD1-CB 4.16Å; Y302-A304 VanDerWaalsContact CE1-CA 3.44Å; Y302-A304 HydrophobicContact CE1-CB 3.89Å; A304-W310 HydrophobicContact CB-CD2 4.33Å; A304-W310 HydrophobicContact CB-CH2 4.06Å; A304-W310 HydrophobicContact CB-CZ2 3.51Å |
| 305 | S | 93.6 | Very high | 90.4 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 41% | 0.406 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -10.9 | 177.7 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | R250 G251 | R250-S305 WeakPolarHBondContact CA-O 3.45Å; G251-S305 PolarHBondContact N-O 3.16Å; G251-S305 CarbonylContact O-C 3.52Å; G251-S305 VanDerWaalsContact O-C 3.27Å; G251-S305 WeakPolarHBondContact O-CA 3.32Å |
| 306 | H | 93.9 | Very high | 89.5 | Confident | 40 Ų | 40 | 35.4 Ų | 35.4 | 19% | 0.185 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 154.7 | -178 | 57.9 | -72.8 | 0 | 0 | 0 | 111.2 | V249 R250 W310 | V249-H306 WeakPolarHBondContact O-CA 3.35Å; R250-H306 HydrophobicContact CG-CB 4.18Å; H306-W310 AromaticContact CE1-CH2 3.99Å; H306-W310 AromaticContact CE1-CZ2 3.47Å; H306-W310 VanDerWaalsContact CE1-CZ2 3.47Å; H306-W310 WeakPolarHBondContact CE1-CZ2 3.41Å; H306-W310 AromaticContact ND1-CZ2 3.66Å; H306-W310 PolarHBondContact O-NE1 2.71Å |
| 307 | L | 93.4 | Very high | 87.9 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -69.8 | 154.1 | 164.4 | -66 | -179.1 | 0 | 0 | 0 | 110 | F180 I238 L240 V249 I253 | F180-L307 HydrophobicContact CE1-CD1 4.46Å; I238-L307 HydrophobicContact CB-CD2 4.14Å; I238-L307 HydrophobicContact CG2-CD2 3.8Å; L240-L307 HydrophobicContact CB-CD1 3.88Å; V249-L307 HydrophobicContact CB-CD1 3.75Å; V249-L307 HydrophobicContact CB-CG 3.97Å; V249-L307 HydrophobicContact CG1-CD1 4.49Å; V249-L307 HydrophobicContact CG2-CD1 3.85Å; V249-L307 PolarHBondContact O-N 2.89Å; V249-L307 VanDerWaalsContact O-N 3.16Å; I253-L307 HydrophobicContact CD1-CD2 4.01Å; I253-L307 HydrophobicContact CD1-CG 3.98Å; I253-L307 HydrophobicContact CG2-CD2 4.05Å |
| 308 | G | 93.1 | Very high | 85.7 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 19% | 0.186 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.8 | -158 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | I238 | I238-G308 PolarHBondContact N-O 2.79Å; I238-G308 PolarHBondContact O-N 2.94Å |
| 309 | Y | 93.8 | Very high | 83.4 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.5 | -179.7 | -170.9 | -160.9 | 0 | 0 | 0 | 111.2 | V127 P128 P203 H206 V236 A275 F276 W283 | V127-Y309 HydrophobicContact CG1-CD1 4.08Å; V127-Y309 HydrophobicContact CG1-CD2 4.46Å; V127-Y309 HydrophobicContact CG1-CE1 3.72Å; V127-Y309 HydrophobicContact CG1-CE2 4.15Å; V127-Y309 HydrophobicContact CG1-CG 4.44Å; P128-Y309 WeakPolarHBondContact O-CE1 3.41Å; P203-Y309 HydrophobicContact CG-CE2 3.89Å; H206-Y309 PolarHBondContact CD2-OH 3.29Å; H206-Y309 PolarHBondContact NE2-OH 3.16Å; V236-Y309 WeakPolarHBondContact O-CD2 3.32Å; A275-Y309 WeakPolarHBondContact CA-O 3.35Å; F276-Y309 HydrophobicContact CB-CD1 4.01Å; F276-Y309 HydrophobicContact CB-CG 4.33Å; F276-Y309 HydrophobicContact CD1-CD1 4.43Å; F276-Y309 HydrophobicContact CG-CD1 4.33Å; F276-Y309 PolarHBondContact N-O 3.27Å; W283-Y309 AromaticContact CH2-CD1 3.58Å; W283-Y309 HydrophobicContact CH2-CD1 3.58Å; W283-Y309 AromaticContact CH2-CD2 3.89Å; W283-Y309 HydrophobicContact CH2-CD2 3.89Å; W283-Y309 AromaticContact CH2-CE1 3.56Å; W283-Y309 HydrophobicContact CH2-CE1 3.56Å; W283-Y309 AromaticContact CH2-CE2 3.87Å; W283-Y309 HydrophobicContact CH2-CE2 3.87Å; W283-Y309 AromaticContact CH2-CG 3.76Å; W283-Y309 HydrophobicContact CH2-CG 3.76Å; W283-Y309 AromaticContact CH2-CZ 3.71Å; W283-Y309 HydrophobicContact CZ2-CD1 4.06Å; W283-Y309 AromaticContact CZ2-CE1 3.7Å; W283-Y309 HydrophobicContact CZ2-CE1 3.7Å; W283-Y309 HydrophobicContact CZ3-CG 4.4Å |
| 310 | W | 94.3 | Very high | 80.7 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.2 | -172 | -71.2 | 91.9 | 0 | 0 | 0 | 112.1 | A235 V236 I255 A273 W274 A275 H286 Y302 A304 H306 | A235-W310 CarbonylContact C-O 3.58Å; A235-W310 WeakPolarHBondContact CA-O 3.45Å; V236-W310 HydrophobicContact CG1-CB 4.19Å; V236-W310 PolarHBondContact N-O 3.4Å; V236-W310 PolarHBondContact O-N 2.97Å; I255-W310 HydrophobicContact CD1-CB 4.43Å; I255-W310 HydrophobicContact CD1-CD2 4.46Å; I255-W310 HydrophobicContact CD1-CG 4Å; A273-W310 HydrophobicContact CB-CZ3 4.4Å; W274-W310 CarbonylContact O-C 3.54Å; W274-W310 VanDerWaalsContact O-CA 3.32Å; W274-W310 WeakPolarHBondContact O-CA 3.46Å; A275-W310 HydrophobicContact CB-CD2 4.09Å; A275-W310 HydrophobicContact CB-CE3 3.93Å; A275-W310 HydrophobicContact CB-CH2 3.82Å; A275-W310 HydrophobicContact CB-CZ2 3.97Å; A275-W310 HydrophobicContact CB-CZ3 3.8Å; H286-W310 HydrophobicContact CB-CH2 3.96Å; H286-W310 HydrophobicContact CB-CZ3 3.88Å; Y302-W310 HydrophobicContact CD1-CE3 4.46Å; Y302-W310 HydrophobicContact CD1-CZ3 4.39Å; Y302-W310 AromaticContact CE1-CE3 3.89Å; Y302-W310 HydrophobicContact CE1-CE3 3.89Å; Y302-W310 AromaticContact CE1-CH2 3.81Å; Y302-W310 HydrophobicContact CE1-CH2 3.81Å; Y302-W310 AromaticContact CE1-CZ3 3.42Å; Y302-W310 HydrophobicContact CE1-CZ3 3.42Å; Y302-W310 VanDerWaalsContact CE1-CZ3 3.42Å; A304-W310 HydrophobicContact CB-CD2 4.33Å; A304-W310 HydrophobicContact CB-CH2 4.06Å; A304-W310 HydrophobicContact CB-CZ2 3.51Å; H306-W310 AromaticContact CE1-CH2 3.99Å; H306-W310 AromaticContact CE1-CZ2 3.47Å; H306-W310 VanDerWaalsContact CE1-CZ2 3.47Å; H306-W310 WeakPolarHBondContact CE1-CZ2 3.41Å; H306-W310 AromaticContact ND1-CZ2 3.66Å; H306-W310 PolarHBondContact O-NE1 2.71Å |
| 311 | I | 92.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146.4 | 167.1 | 60.7 | 179.2 | 0 | 0 | 0 | 112.1 | L230 A232 A234 A235 W274 W283 A313 | L230-I311 HydrophobicContact CB-CD1 4.4Å; L230-I311 HydrophobicContact CD1-CD1 3.93Å; A232-I311 HydrophobicContact CB-CB 4.07Å; A232-I311 HydrophobicContact CB-CD1 4.35Å; A232-I311 HydrophobicContact CB-CG2 4.14Å; A234-I311 WeakPolarHBondContact O-CA 3.47Å; A235-I311 HydrophobicContact CB-CG2 3.73Å; W274-I311 HydrophobicContact CB-CD1 4.43Å; W274-I311 HydrophobicContact CB-CG1 3.82Å; W274-I311 HydrophobicContact CG-CG1 4.26Å; W274-I311 PolarHBondContact N-O 2.83Å; W274-I311 PolarHBondContact O-N 3.48Å; W283-I311 HydrophobicContact CD2-CD1 3.59Å; W283-I311 HydrophobicContact CD2-CG1 3.99Å; W283-I311 HydrophobicContact CE3-CD1 3.78Å; W283-I311 HydrophobicContact CE3-CG1 3.6Å; W283-I311 HydrophobicContact CE3-CG2 4.46Å; W283-I311 HydrophobicContact CG-CD1 3.99Å; W283-I311 HydrophobicContact CH2-CB 4.39Å; W283-I311 HydrophobicContact CH2-CD1 4.39Å; W283-I311 HydrophobicContact CH2-CG1 4.24Å; W283-I311 HydrophobicContact CH2-CG2 3.53Å; W283-I311 HydrophobicContact CZ2-CD1 4.23Å; W283-I311 HydrophobicContact CZ2-CG2 3.99Å; W283-I311 HydrophobicContact CZ3-CB 4.17Å; W283-I311 HydrophobicContact CZ3-CD1 4.17Å; W283-I311 HydrophobicContact CZ3-CG1 3.74Å; W283-I311 HydrophobicContact CZ3-CG2 3.79Å; I311-A313 HydrophobicContact CD1-CB 4.22Å; I311-A313 HydrophobicContact CG1-CB 4.45Å |
| 312 | A | 91.6 | Very high | 75.4 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 111.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | V233 A234 V271 P272 W300 | V233-A312 PolarHBondContact N-O 3.24Å; A234-A312 HydrophobicContact CB-CB 4.16Å; A234-A312 PolarHBondContact N-O 2.82Å; A234-A312 PolarHBondContact O-N 2.79Å; V271-A312 HydrophobicContact CG1-CB 4.06Å; P272-A312 WeakPolarHBondContact O-CA 3.5Å; W300-A312 HydrophobicContact CD2-CB 3.63Å; W300-A312 HydrophobicContact CE3-CB 4.09Å; W300-A312 HydrophobicContact CG-CB 4.03Å; W300-A312 HydrophobicContact CH2-CB 4.08Å; W300-A312 HydrophobicContact CZ2-CB 3.63Å; W300-A312 HydrophobicContact CZ3-CB 4.3Å |
| 313 | A | 88.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -138.2 | 121.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L230 K231 P272 W274 I311 | L230-A313 HydrophobicContact CB-CB 4.14Å; K231-A313 WeakPolarHBondContact O-CB 3.46Å; P272-A313 WeakPolarHBondContact CB-O 3.35Å; P272-A313 WeakPolarHBondContact CD-O 3.27Å; P272-A313 PolarHBondContact O-N 3.26Å; W274-A313 PolarHBondContact NE1-O 2.78Å; I311-A313 HydrophobicContact CD1-CB 4.22Å; I311-A313 HydrophobicContact CG1-CB 4.45Å | ||
| 314 | P | 84.6 | Confident | 69.7 | Low | 54 Ų | 54 | 56 Ų | 56 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | trans | -59 | 146.6 | 170.1 | 27.8 | -34.5 | 0 | 0 | 0 | 109.9 | K231 V233 | K231-P314 WeakPolarHBondContact O-CD 3.5Å; V233-P314 VanDerWaalsContact CG2-CD 3.46Å; V233-P314 HydrophobicContact CG2-CG 4.09Å | ||
| 315 | H | 72.2 | Confident | 66.8 | Low | 81 Ų | 81 | 63.5 Ų | 63.5 | 38% | 0.375 | 37% | 0.37 | S | S | . | . | trans | -58.3 | 136.1 | 164.1 | -64.2 | -51.6 | 0 | 0 | 0 | 108.7 | W274 N285 S317 | W274-H315 AromaticContact CH2-CE1 3.74Å; W274-H315 AromaticContact CH2-ND1 3.78Å; W274-H315 AromaticContact CZ2-CE1 3.43Å; W274-H315 VanDerWaalsContact CZ2-CE1 3.43Å; W274-H315 WeakPolarHBondContact CZ2-CE1 3.36Å; W274-H315 AromaticContact CZ2-ND1 3.42Å; W274-H315 WeakPolarHBondContact CZ2-ND1 3.41Å; N285-H315 PolarHBondContact ND2-CE1 2.97Å; H315-S317 PolarHBondContact O-N 2.79Å | ||
| 316 | P | 63.1 | Low | 63.9 | Low | 72 Ų | 72 | 63.8 Ų | 63.8 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | trans | -59.4 | 113.3 | 170.2 | 26.4 | -33.5 | 0 | 0 | 0 | 107.3 | I228 E229 | I228-P316 HydrophobicContact CG2-CG 3.41Å; I228-P316 VanDerWaalsContact CG2-CG 3.41Å; E229-P316 WeakPolarHBondContact O-CD 3.45Å; E229-P316 WeakPolarHBondContact O-CG 3.39Å | ||
| 317 | S | 47.1 | Very low | 61.4 | Low | 80 Ų | 80 | 71.7 Ų | 71.7 | 56% | 0.559 | 42% | 0.419 | S | S | * | . | trans | -61.3 | 148.8 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | H315 K319 G320 | H315-S317 PolarHBondContact O-N 2.79Å; S317-K319 PolarHBondContact O-N 2.87Å; S317-K319 PolarHBondContact OG-N 2.86Å; S317-G320 PolarHBondContact O-N 2.81Å | ||
| 318 | A | 40.2 | Very low | 58.8 | Low | 107 Ų | 107 | 74.6 Ų | 74.6 | 88% | 0.884 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -9.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.6 | G320 | A318-G320 VanDerWaalsContact C-N 3.26Å; A318-G320 PolarHBondContact O-N 3.23Å |
| 319 | K | 41.8 | Very low | 56.7 | Low | 97 Ų | 97 | 77.9 Ų | 77.9 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 17.6 | 164.9 | -90.4 | -164.7 | 172.3 | -168.8 | 0 | 115.6 | S317 T321 S322 N329 | S317-K319 PolarHBondContact O-N 2.87Å; S317-K319 PolarHBondContact OG-N 2.86Å; K319-T321 PolarHBondContact O-N 2.89Å; K319-S322 WeakPolarHBondContact O-CA 3.41Å; K319-S322 WeakPolarHBondContact O-CB 3.27Å; K319-S322 PolarHBondContact O-N 2.93Å; K319-N329 PolarHBondContact NZ-O 2.88Å |
| 320 | G | 35.4 | Very low | 54.4 | Low | 65 Ų | 65 | 82 Ų | 82 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -23.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S317 A318 S322 | S317-G320 PolarHBondContact O-N 2.81Å; A318-G320 VanDerWaalsContact C-N 3.26Å; A318-G320 PolarHBondContact O-N 3.23Å; G320-S322 VanDerWaalsContact C-N 3.33Å |
| 321 | T | 39.1 | Very low | 52.3 | Low | 143 Ų | 143 | 89.1 Ų | 89.1 | 88% | 0.877 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 10.3 | 172.9 | -22.9 | 0 | 0 | 0 | 0 | 114.2 | K319 | K319-T321 PolarHBondContact O-N 2.89Š|
| 322 | S | 38.1 | Very low | 50.2 | Low | 19 Ų | 19 | 91.6 Ų | 91.6 | 13% | 0.133 | 53% | 0.53 | C | S | . | . | trans | -110.8 | -13.1 | -169.8 | -163.8 | 0 | 0 | 0 | 0 | 114.9 | K319 G320 Y324 F325 | K319-S322 WeakPolarHBondContact O-CA 3.41Å; K319-S322 WeakPolarHBondContact O-CB 3.27Å; K319-S322 PolarHBondContact O-N 2.93Å; G320-S322 VanDerWaalsContact C-N 3.33Å; S322-Y324 PolarHBondContact O-N 2.86Å; S322-F325 CarbonylContact O-C 3.59Å; S322-F325 PolarHBondContact O-N 2.98Å; S322-F325 VanDerWaalsContact O-O 3.1Å | ||
| 323 | D | 33.7 | Very low | 48.3 | Very low | 147 Ų | 147 | 98.7 Ų | 98.7 | 79% | 0.786 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -2.8 | -173.5 | -71.6 | -3 | 0 | 0 | 0 | 113.7 | ||
| 324 | Y | 37.7 | Very low | 46.8 | Very low | 167 Ų | 167 | 104.2 Ų | 104.2 | 66% | 0.655 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -4.5 | 166.4 | -100.4 | -85.3 | 0 | 0 | 0 | 114.3 | S322 D487 | S322-Y324 PolarHBondContact O-N 2.86Å; Y324-D487 PolarHBondContact OH-OD1 3.27Å |
| 325 | F | 34.7 | Very low | 45.6 | Very low | 158 Ų | 158 | 103.4 Ų | 103.4 | 69% | 0.693 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -135.2 | 95.6 | 176.4 | -86.3 | -82.8 | 0 | 0 | 0 | 111 | S322 | S322-F325 CarbonylContact O-C 3.59Å; S322-F325 PolarHBondContact O-N 2.98Å; S322-F325 VanDerWaalsContact O-O 3.1Å |
| 326 | G | 32.9 | Very low | 45.3 | Very low | 64 Ų | 64 | 107.1 Ų | 107.1 | 66% | 0.66 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 145.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V328 | G326-V328 VanDerWaalsContact C-N 3.33Å; G326-V328 PolarHBondContact O-N 3.47Å; G326-V328 VanDerWaalsContact O-N 3.12Å |
| 327 | H | 40.5 | Very low | 45.7 | Very low | 205 Ų | 205 | 108 Ų | 108 | 95% | 0.949 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.7 | 23.2 | 158 | -95.7 | 75.6 | 0 | 0 | 0 | 119.3 | ||
| 328 | V | 39.7 | Very low | 47.2 | Very low | 75 Ų | 75 | 107.5 Ų | 107.5 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | trans | -130.3 | 178.8 | 162.3 | -114 | 0 | 0 | 0 | 0 | 110.7 | G326 D332 | G326-V328 VanDerWaalsContact C-N 3.33Å; G326-V328 PolarHBondContact O-N 3.47Å; G326-V328 VanDerWaalsContact O-N 3.12Å; V328-D332 WeakPolarHBondContact CB-OD2 3.27Å; V328-D332 WeakPolarHBondContact CG1-OD2 3.42Å | ||
| 329 | N | 48.3 | Very low | 49.1 | Very low | 87 Ų | 87 | 110.8 Ų | 110.8 | 47% | 0.465 | 58% | 0.578 | S | S | . | * | S | Bend | trans | 71.1 | 56.9 | -169.1 | -56.1 | -61.1 | 0 | 0 | 0 | 116.9 | K319 D332 | K319-N329 PolarHBondContact NZ-O 2.88Å; N329-D332 PolarHBondContact N-OD2 2.99Å |
| 330 | S | 45.9 | Very low | 50.9 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 69% | 0.685 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -135.5 | -42 | 138.9 | 65.2 | 0 | 0 | 0 | 0 | 110.1 | D332 | S330-D332 VanDerWaalsContact C-N 3.33Š|
| 331 | M | 49.3 | Very low | 53.3 | Low | 152 Ų | 152 | 112.8 Ų | 112.8 | 75% | 0.749 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.5 | -33.8 | 167.3 | -76.6 | -173.4 | 156.8 | 0 | 0 | 112.9 | I334 S335 | M331-I334 CarbonylContact O-C 3.51Å; M331-I334 PolarHBondContact O-N 2.78Å; M331-S335 WeakPolarHBondContact O-CB 3.37Å; M331-S335 PolarHBondContact O-N 2.84Å |
| 332 | D | 49.9 | Very low | 55.8 | Low | 52 Ų | 52 | 110.2 Ų | 110.2 | 28% | 0.278 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -74.8 | -31.2 | -167.6 | -56.2 | -36.2 | 0 | 0 | 0 | 115.8 | V328 N329 S330 I334 S335 Y336 | V328-D332 WeakPolarHBondContact CB-OD2 3.27Å; V328-D332 WeakPolarHBondContact CG1-OD2 3.42Å; N329-D332 PolarHBondContact N-OD2 2.99Å; S330-D332 VanDerWaalsContact C-N 3.33Å; D332-I334 VanDerWaalsContact C-N 3.3Å; D332-S335 WeakPolarHBondContact CA-OG 3.3Å; D332-S335 PolarHBondContact O-N 2.78Å; D332-S335 PolarHBondContact O-OG 2.74Å; D332-Y336 WeakPolarHBondContact O-CB 3.43Å; D332-Y336 PolarHBondContact O-N 3.04Å |
| 333 | F | 50.1 | Low | 58.3 | Low | 149 Ų | 149 | 111.7 Ų | 111.7 | 65% | 0.654 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.2 | -40.5 | 173.7 | -166.3 | -100.7 | 0 | 0 | 0 | 110.2 | H337 | F333-H337 AromaticContact CD1-CD2 3.83Å; F333-H337 AromaticContact CE1-CD2 3.57Å; F333-H337 AromaticContact CE1-NE2 3.7Å; F333-H337 AromaticContact CE2-NE2 3.54Å; F333-H337 AromaticContact CZ-CD2 3.67Å; F333-H337 AromaticContact CZ-NE2 3.27Å; F333-H337 VanDerWaalsContact CZ-NE2 3.27Å; F333-H337 WeakPolarHBondContact CZ-NE2 3.08Å; F333-H337 WeakPolarHBondContact O-CB 3.43Å; F333-H337 PolarHBondContact O-CD2 2.97Å; F333-H337 PolarHBondContact O-N 3.47Å |
| 334 | I | 57.8 | Low | 61 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.1 | -44 | 175 | -59.2 | 176.7 | 0 | 0 | 0 | 110.1 | M331 D332 T338 | M331-I334 CarbonylContact O-C 3.51Å; M331-I334 PolarHBondContact O-N 2.78Å; D332-I334 VanDerWaalsContact C-N 3.3Å; I334-T338 VanDerWaalsContact O-CB 3.23Å; I334-T338 WeakPolarHBondContact O-CB 2.99Å; I334-T338 PolarHBondContact O-N 3.02Å; I334-T338 PolarHBondContact O-OG1 2.9Å |
| 335 | S | 60.1 | Low | 63.5 | Low | 37 Ų | 37 | 107.2 Ų | 107.2 | 26% | 0.259 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.8 | -45.2 | -177.5 | 83.5 | 0 | 0 | 0 | 0 | 111.2 | M331 D332 H337 T338 Y339 | M331-S335 WeakPolarHBondContact O-CB 3.37Å; M331-S335 PolarHBondContact O-N 2.84Å; D332-S335 WeakPolarHBondContact CA-OG 3.3Å; D332-S335 PolarHBondContact O-N 2.78Å; D332-S335 PolarHBondContact O-OG 2.74Å; S335-H337 PolarHBondContact O-N 3.41Å; S335-T338 CarbonylContact O-C 3.55Å; S335-T338 PolarHBondContact O-N 3.24Å; S335-T338 VanDerWaalsContact O-N 3.09Å; S335-Y339 WeakPolarHBondContact O-CD2 3.36Å; S335-Y339 PolarHBondContact O-N 2.82Å |
| 336 | Y | 65.3 | Low | 66.3 | Low | 159 Ų | 159 | 101.6 Ų | 101.6 | 62% | 0.624 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.4 | -47.6 | 177.1 | -174.3 | -97.2 | 0 | 0 | 0 | 111.8 | D332 T338 Y339 L340 | D332-Y336 WeakPolarHBondContact O-CB 3.43Å; D332-Y336 PolarHBondContact O-N 3.04Å; Y336-T338 VanDerWaalsContact C-N 3.32Å; Y336-T338 PolarHBondContact O-N 3.01Å; Y336-Y339 PolarHBondContact O-N 3.5Å; Y336-L340 HydrophobicContact CE1-CD1 4.41Å; Y336-L340 WeakPolarHBondContact O-CB 3.09Å; Y336-L340 PolarHBondContact O-N 2.84Å |
| 337 | H | 72.3 | Confident | 69.2 | Low | 91 Ų | 91 | 100 Ų | 100 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.8 | -31.6 | 174.5 | -75 | -55.7 | 0 | 0 | 0 | 112.9 | F333 S335 L341 | F333-H337 AromaticContact CD1-CD2 3.83Å; F333-H337 AromaticContact CE1-CD2 3.57Å; F333-H337 AromaticContact CE1-NE2 3.7Å; F333-H337 AromaticContact CE2-NE2 3.54Å; F333-H337 AromaticContact CZ-CD2 3.67Å; F333-H337 AromaticContact CZ-NE2 3.27Å; F333-H337 VanDerWaalsContact CZ-NE2 3.27Å; F333-H337 WeakPolarHBondContact CZ-NE2 3.08Å; F333-H337 WeakPolarHBondContact O-CB 3.43Å; F333-H337 PolarHBondContact O-CD2 2.97Å; F333-H337 PolarHBondContact O-N 3.47Å; S335-H337 PolarHBondContact O-N 3.41Å; H337-L341 VanDerWaalsContact O-CB 3.28Å; H337-L341 WeakPolarHBondContact O-CB 3.18Å; H337-L341 PolarHBondContact O-N 3.03Å |
| 338 | T | 77.8 | Confident | 71.7 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.8 | -44 | 175 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | I334 S335 Y336 L340 L341 V342 | I334-T338 VanDerWaalsContact O-CB 3.23Å; I334-T338 WeakPolarHBondContact O-CB 2.99Å; I334-T338 PolarHBondContact O-N 3.02Å; I334-T338 PolarHBondContact O-OG1 2.9Å; S335-T338 CarbonylContact O-C 3.55Å; S335-T338 PolarHBondContact O-N 3.24Å; S335-T338 VanDerWaalsContact O-N 3.09Å; Y336-T338 VanDerWaalsContact C-N 3.32Å; Y336-T338 PolarHBondContact O-N 3.01Å; T338-L340 VanDerWaalsContact C-N 3.32Å; T338-L340 PolarHBondContact O-N 2.78Å; T338-L341 PolarHBondContact O-N 3.15Å; T338-V342 HydrophobicContact CG2-CG2 4.32Å; T338-V342 WeakPolarHBondContact O-CB 3.4Å; T338-V342 VanDerWaalsContact O-CG2 3.27Å; T338-V342 WeakPolarHBondContact O-CG2 3.27Å; T338-V342 PolarHBondContact O-N 2.88Å |
| 339 | Y | 80.7 | Confident | 74.3 | Confident | 176 Ų | 176 | 94.9 Ų | 94.9 | 69% | 0.69 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 174.8 | -73.2 | -59 | 0 | 0 | 0 | 111.5 | S335 Y336 V342 G343 | S335-Y339 WeakPolarHBondContact O-CD2 3.36Å; S335-Y339 PolarHBondContact O-N 2.82Å; Y336-Y339 PolarHBondContact O-N 3.5Å; Y339-V342 PolarHBondContact O-N 3.41Å; Y339-G343 PolarHBondContact O-N 3.47Å |
| 340 | L | 80.6 | Confident | 76.5 | Confident | 85 Ų | 85 | 93.7 Ų | 93.7 | 45% | 0.445 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.4 | -171.1 | 150.2 | 0 | 0 | 0 | 111.5 | Y336 T338 G343 I344 | Y336-L340 HydrophobicContact CE1-CD1 4.41Å; Y336-L340 WeakPolarHBondContact O-CB 3.09Å; Y336-L340 PolarHBondContact O-N 2.84Å; T338-L340 VanDerWaalsContact C-N 3.32Å; T338-L340 PolarHBondContact O-N 2.78Å; L340-G343 PolarHBondContact O-N 2.8Å; L340-I344 HydrophobicContact CD2-CD1 3.62Å; L340-I344 HydrophobicContact CD2-CG1 4.44Å; L340-I344 WeakPolarHBondContact O-CG1 3.48Å; L340-I344 PolarHBondContact O-N 2.73Å |
| 341 | L | 85.3 | Confident | 78.7 | Confident | 119 Ų | 119 | 93.9 Ų | 93.9 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 175.4 | -166.8 | 80.2 | 0 | 0 | 0 | 112.1 | H337 T338 G343 I344 L345 | H337-L341 VanDerWaalsContact O-CB 3.28Å; H337-L341 WeakPolarHBondContact O-CB 3.18Å; H337-L341 PolarHBondContact O-N 3.03Å; T338-L341 PolarHBondContact O-N 3.15Å; L341-G343 VanDerWaalsContact C-N 3.35Å; L341-I344 PolarHBondContact O-N 3.41Å; L341-L345 WeakPolarHBondContact O-CB 3.05Å; L341-L345 PolarHBondContact O-N 2.97Å |
| 342 | V | 91.1 | Very high | 80.8 | Confident | 88 Ų | 88 | 90.3 Ų | 90.3 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 175.8 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | T338 Y339 L345 G346 | T338-V342 HydrophobicContact CG2-CG2 4.32Å; T338-V342 WeakPolarHBondContact O-CB 3.4Å; T338-V342 VanDerWaalsContact O-CG2 3.27Å; T338-V342 WeakPolarHBondContact O-CG2 3.27Å; T338-V342 PolarHBondContact O-N 2.88Å; Y339-V342 PolarHBondContact O-N 3.41Å; V342-L345 PolarHBondContact O-N 2.93Å; V342-G346 PolarHBondContact O-N 2.79Å |
| 343 | G | 91 | Very high | 82.9 | Confident | 50 Ų | 50 | 92.2 Ų | 92.2 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y339 L340 L341 G347 | Y339-G343 PolarHBondContact O-N 3.47Å; L340-G343 PolarHBondContact O-N 2.8Å; L341-G343 VanDerWaalsContact C-N 3.35Å; G343-G347 PolarHBondContact O-N 3.33Å |
| 344 | I | 90.6 | Very high | 84.9 | Confident | 101 Ų | 101 | 86.6 Ų | 86.6 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 173.8 | -69.5 | 172.6 | 0 | 0 | 0 | 110.7 | L340 L341 G347 T348 | L340-I344 HydrophobicContact CD2-CD1 3.62Å; L340-I344 HydrophobicContact CD2-CG1 4.44Å; L340-I344 WeakPolarHBondContact O-CG1 3.48Å; L340-I344 PolarHBondContact O-N 2.73Å; L341-I344 PolarHBondContact O-N 3.41Å; I344-G347 PolarHBondContact O-N 3.15Å; I344-T348 HydrophobicContact CG2-CG2 4.46Å; I344-T348 WeakPolarHBondContact O-CG2 3.23Å; I344-T348 PolarHBondContact O-N 2.96Å; I344-T348 PolarHBondContact O-OG1 3.48Å |
| 345 | L | 90.6 | Very high | 86.5 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -46.4 | -178.9 | -174.5 | 63.1 | 0 | 0 | 0 | 111.5 | L341 V342 G347 T348 L349 | L341-L345 WeakPolarHBondContact O-CB 3.05Å; L341-L345 PolarHBondContact O-N 2.97Å; V342-L345 PolarHBondContact O-N 2.93Å; L345-G347 PolarHBondContact O-N 3.33Å; L345-T348 PolarHBondContact O-N 2.95Å; L345-T348 PolarHBondContact O-OG1 2.92Å; L345-L349 WeakPolarHBondContact O-CB 3.35Å; L345-L349 PolarHBondContact O-N 2.93Å |
| 346 | G | 92.4 | Very high | 87.9 | Confident | 40 Ų | 40 | 89.9 Ų | 89.9 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V342 L349 A350 | V342-G346 PolarHBondContact O-N 2.79Å; G346-L349 PolarHBondContact O-N 3.19Å; G346-A350 WeakPolarHBondContact O-CB 3.27Å; G346-A350 PolarHBondContact O-N 3Å |
| 347 | G | 93.3 | Very high | 88.9 | Confident | 31 Ų | 31 | 85.1 Ų | 85.1 | 32% | 0.32 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G343 I344 L345 L349 A350 I351 | G343-G347 PolarHBondContact O-N 3.33Å; I344-G347 PolarHBondContact O-N 3.15Å; L345-G347 PolarHBondContact O-N 3.33Å; G347-L349 PolarHBondContact O-N 3.29Å; G347-A350 PolarHBondContact O-N 3Å; G347-I351 WeakPolarHBondContact O-CD1 3.28Å; G347-I351 VanDerWaalsContact O-CG1 3.27Å; G347-I351 WeakPolarHBondContact O-CG1 3.37Å; G347-I351 PolarHBondContact O-N 2.96Å |
| 348 | T | 93.7 | Very high | 89.7 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 176.4 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | I344 L345 I351 V352 | I344-T348 HydrophobicContact CG2-CG2 4.46Å; I344-T348 WeakPolarHBondContact O-CG2 3.23Å; I344-T348 PolarHBondContact O-N 2.96Å; I344-T348 PolarHBondContact O-OG1 3.48Å; L345-T348 PolarHBondContact O-N 2.95Å; L345-T348 PolarHBondContact O-OG1 2.92Å; T348-I351 PolarHBondContact O-N 3.41Å; T348-V352 WeakPolarHBondContact O-CG2 3.38Å; T348-V352 PolarHBondContact O-N 3.01Å |
| 349 | L | 94.6 | Very high | 90 | Very high | 105 Ų | 105 | 87.5 Ų | 87.5 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 175.4 | -178.2 | 61.1 | 0 | 0 | 0 | 111.7 | L345 G346 G347 I351 V352 I353 | L345-L349 WeakPolarHBondContact O-CB 3.35Å; L345-L349 PolarHBondContact O-N 2.93Å; G346-L349 PolarHBondContact O-N 3.19Å; G347-L349 PolarHBondContact O-N 3.29Å; L349-I351 VanDerWaalsContact C-N 3.34Å; L349-I351 PolarHBondContact O-N 3.12Å; L349-V352 PolarHBondContact O-N 3.16Å; L349-I353 HydrophobicContact CD1-CD1 4.1Å; L349-I353 HydrophobicContact CD1-CG1 4.37Å; L349-I353 HydrophobicContact CG-CD1 3.93Å; L349-I353 WeakPolarHBondContact O-CB 3.33Å; L349-I353 VanDerWaalsContact O-CG1 3.29Å; L349-I353 WeakPolarHBondContact O-CG1 3.42Å; L349-I353 PolarHBondContact O-N 2.7Å |
| 350 | A | 93.3 | Very high | 90 | Very high | 62 Ų | 62 | 85.1 Ų | 85.1 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G346 G347 I353 G354 | G346-A350 WeakPolarHBondContact O-CB 3.27Å; G346-A350 PolarHBondContact O-N 3Å; G347-A350 PolarHBondContact O-N 3Å; A350-I353 PolarHBondContact O-N 2.73Å; A350-G354 PolarHBondContact O-N 3.35Å |
| 351 | I | 92.8 | Very high | 89.9 | Confident | 102 Ų | 102 | 85.2 Ų | 85.2 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 174.6 | -70.4 | 164.7 | 0 | 0 | 0 | 111.1 | G347 T348 L349 G354 F355 | G347-I351 WeakPolarHBondContact O-CD1 3.28Å; G347-I351 VanDerWaalsContact O-CG1 3.27Å; G347-I351 WeakPolarHBondContact O-CG1 3.37Å; G347-I351 PolarHBondContact O-N 2.96Å; T348-I351 PolarHBondContact O-N 3.41Å; L349-I351 VanDerWaalsContact C-N 3.34Å; L349-I351 PolarHBondContact O-N 3.12Å; I351-G354 PolarHBondContact O-N 2.85Å; I351-F355 HydrophobicContact CG2-CD2 3.7Å; I351-F355 HydrophobicContact CG2-CE2 3.57Å; I351-F355 VanDerWaalsContact O-CD2 3.29Å; I351-F355 WeakPolarHBondContact O-CD2 3.43Å; I351-F355 PolarHBondContact O-N 2.74Å |
| 352 | V | 94.1 | Very high | 89.3 | Confident | 78 Ų | 78 | 86.4 Ų | 86.4 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.9 | 168 | 0 | 0 | 0 | 0 | 111.5 | T348 L349 G354 F355 L356 | T348-V352 WeakPolarHBondContact O-CG2 3.38Å; T348-V352 PolarHBondContact O-N 3.01Å; L349-V352 PolarHBondContact O-N 3.16Å; V352-G354 VanDerWaalsContact C-N 3.33Å; V352-G354 PolarHBondContact O-N 3.42Å; V352-F355 PolarHBondContact O-N 3.29Å; V352-L356 HydrophobicContact CG1-CD1 3.93Å; V352-L356 WeakPolarHBondContact O-CB 3.42Å; V352-L356 WeakPolarHBondContact O-CG 3.33Å; V352-L356 PolarHBondContact O-N 3.26Å |
| 353 | I | 93.3 | Very high | 88.2 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 174.9 | -68.9 | 167.7 | 0 | 0 | 0 | 111.2 | L349 A350 L356 S357 | L349-I353 HydrophobicContact CD1-CD1 4.1Å; L349-I353 HydrophobicContact CD1-CG1 4.37Å; L349-I353 HydrophobicContact CG-CD1 3.93Å; L349-I353 WeakPolarHBondContact O-CB 3.33Å; L349-I353 VanDerWaalsContact O-CG1 3.29Å; L349-I353 WeakPolarHBondContact O-CG1 3.42Å; L349-I353 PolarHBondContact O-N 2.7Å; A350-I353 PolarHBondContact O-N 2.73Å; I353-L356 PolarHBondContact O-N 3.15Å; I353-S357 VanDerWaalsContact O-CB 3.32Å; I353-S357 WeakPolarHBondContact O-CB 3.49Å; I353-S357 PolarHBondContact O-N 2.83Å; I353-S357 PolarHBondContact O-OG 2.99Å |
| 354 | G | 92.6 | Very high | 86.9 | Confident | 32 Ų | 32 | 84.3 Ų | 84.3 | 33% | 0.33 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -49 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A350 I351 V352 S357 L358 | A350-G354 PolarHBondContact O-N 3.35Å; I351-G354 PolarHBondContact O-N 2.85Å; V352-G354 VanDerWaalsContact C-N 3.33Å; V352-G354 PolarHBondContact O-N 3.42Å; G354-S357 PolarHBondContact O-N 3.34Å; G354-L358 WeakPolarHBondContact O-CG 3.29Å; G354-L358 PolarHBondContact O-N 2.65Å |
| 355 | F | 91.3 | Very high | 85.3 | Confident | 131 Ų | 131 | 82.9 Ų | 82.9 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 174.7 | -80.1 | -62.6 | 0 | 0 | 0 | 112.8 | I351 V352 S357 L358 L359 | I351-F355 HydrophobicContact CG2-CD2 3.7Å; I351-F355 HydrophobicContact CG2-CE2 3.57Å; I351-F355 VanDerWaalsContact O-CD2 3.29Å; I351-F355 WeakPolarHBondContact O-CD2 3.43Å; I351-F355 PolarHBondContact O-N 2.74Å; V352-F355 PolarHBondContact O-N 3.29Å; F355-S357 VanDerWaalsContact C-N 3.32Å; F355-S357 PolarHBondContact O-N 2.82Å; F355-L358 PolarHBondContact O-N 3.46Å; F355-L359 WeakPolarHBondContact O-CB 3.49Å; F355-L359 WeakPolarHBondContact O-CG 3.27Å; F355-L359 PolarHBondContact O-N 3.45Å |
| 356 | L | 88.9 | Confident | 83.7 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 173.7 | -77.5 | 167.2 | 0 | 0 | 0 | 111.6 | V352 I353 L359 L360 | V352-L356 HydrophobicContact CG1-CD1 3.93Å; V352-L356 WeakPolarHBondContact O-CB 3.42Å; V352-L356 WeakPolarHBondContact O-CG 3.33Å; V352-L356 PolarHBondContact O-N 3.26Å; I353-L356 PolarHBondContact O-N 3.15Å; L356-L359 PolarHBondContact O-N 3.09Å; L356-L360 WeakPolarHBondContact O-CB 3.32Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.26Å |
| 357 | S | 87.3 | Confident | 81.9 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 176.2 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | I353 G354 F355 L360 C361 | I353-S357 VanDerWaalsContact O-CB 3.32Å; I353-S357 WeakPolarHBondContact O-CB 3.49Å; I353-S357 PolarHBondContact O-N 2.83Å; I353-S357 PolarHBondContact O-OG 2.99Å; G354-S357 PolarHBondContact O-N 3.34Å; F355-S357 VanDerWaalsContact C-N 3.32Å; F355-S357 PolarHBondContact O-N 2.82Å; S357-L360 PolarHBondContact O-N 2.91Å; S357-C361 VanDerWaalsContact O-CB 3.3Å; S357-C361 WeakPolarHBondContact O-CB 3.29Å; S357-C361 PolarHBondContact O-N 3.37Å; S357-C361 PolarHBondContact O-SG 2.86Å |
| 358 | L | 87.5 | Confident | 80 | Confident | 103 Ų | 103 | 92.9 Ų | 92.9 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 173.5 | -70.7 | 172 | 0 | 0 | 0 | 112.3 | G354 F355 C361 H362 | G354-L358 WeakPolarHBondContact O-CG 3.29Å; G354-L358 PolarHBondContact O-N 2.65Å; F355-L358 PolarHBondContact O-N 3.46Å; L358-C361 PolarHBondContact O-N 2.84Å; L358-H362 PolarHBondContact O-CD2 2.76Å; L358-H362 PolarHBondContact O-N 3.46Å |
| 359 | L | 84.2 | Confident | 78.2 | Confident | 106 Ų | 106 | 93.5 Ų | 93.5 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -46.6 | 172.5 | -81.9 | 161.5 | 0 | 0 | 0 | 111.6 | F355 L356 C361 H362 C363 | F355-L359 WeakPolarHBondContact O-CB 3.49Å; F355-L359 WeakPolarHBondContact O-CG 3.27Å; F355-L359 PolarHBondContact O-N 3.45Å; L356-L359 PolarHBondContact O-N 3.09Å; L359-C361 VanDerWaalsContact C-N 3.3Å; L359-C361 PolarHBondContact O-N 3.45Å; L359-H362 PolarHBondContact O-N 2.82Å; L359-C363 WeakPolarHBondContact O-CB 3.4Å; L359-C363 PolarHBondContact O-N 3.5Å; L359-C363 PolarHBondContact O-SG 2.93Å; L359-C363 VanDerWaalsContact O-SG 3.4Å |
| 360 | L | 82.6 | Confident | 76.2 | Confident | 126 Ų | 126 | 91.4 Ų | 91.4 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -32.5 | 175.9 | -72.5 | 169.5 | 0 | 0 | 0 | 112.2 | L356 S357 G364 | L356-L360 WeakPolarHBondContact O-CB 3.32Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.26Å; S357-L360 PolarHBondContact O-N 2.91Å; L360-G364 WeakPolarHBondContact O-CA 3.21Å; L360-G364 PolarHBondContact O-N 2.95Å |
| 361 | C | 76.6 | Confident | 74.3 | Confident | 87 Ų | 87 | 92.4 Ų | 92.4 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.5 | -38.6 | 172.8 | -76.3 | 0 | 0 | 0 | 0 | 112.6 | S357 L358 L359 G364 S365 | S357-C361 VanDerWaalsContact O-CB 3.3Å; S357-C361 WeakPolarHBondContact O-CB 3.29Å; S357-C361 PolarHBondContact O-N 3.37Å; S357-C361 PolarHBondContact O-SG 2.86Å; L358-C361 PolarHBondContact O-N 2.84Å; L359-C361 VanDerWaalsContact C-N 3.3Å; L359-C361 PolarHBondContact O-N 3.45Å; C361-G364 PolarHBondContact O-N 2.87Å; C361-S365 VanDerWaalsContact O-CB 3.22Å; C361-S365 WeakPolarHBondContact O-CB 3.32Å; C361-S365 PolarHBondContact O-N 2.83Å |
| 362 | H | 73.6 | Confident | 72.5 | Confident | 144 Ų | 144 | 96.5 Ų | 96.5 | 67% | 0.667 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.1 | -45.2 | 174.3 | -89.6 | -73.3 | 0 | 0 | 0 | 112.5 | L358 L359 G364 S365 S366 | L358-H362 PolarHBondContact O-CD2 2.76Å; L358-H362 PolarHBondContact O-N 3.46Å; L359-H362 PolarHBondContact O-N 2.82Å; H362-G364 VanDerWaalsContact C-N 3.3Å; H362-S365 PolarHBondContact O-N 3.36Å; H362-S366 PolarHBondContact O-N 2.83Å |
| 363 | C | 68.8 | Low | 70.5 | Confident | 70 Ų | 70 | 100.9 Ų | 100.9 | 47% | 0.473 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -30.8 | 172.8 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | L359 S366 R367 | L359-C363 WeakPolarHBondContact O-CB 3.4Å; L359-C363 PolarHBondContact O-N 3.5Å; L359-C363 PolarHBondContact O-SG 2.93Å; L359-C363 VanDerWaalsContact O-SG 3.4Å; C363-S366 PolarHBondContact O-OG 3.49Å; C363-S366 VanDerWaalsContact O-OG 3.14Å; C363-R367 WeakPolarHBondContact O-CB 3.42Å; C363-R367 WeakPolarHBondContact O-CG 3.35Å; C363-R367 PolarHBondContact O-N 3.4Å; C363-R367 VanDerWaalsContact O-N 3.11Å |
| 364 | G | 62.7 | Low | 68.6 | Low | 24 Ų | 24 | 106 Ų | 106 | 25% | 0.247 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L360 C361 H362 R367 Q368 | L360-G364 WeakPolarHBondContact O-CA 3.21Å; L360-G364 PolarHBondContact O-N 2.95Å; C361-G364 PolarHBondContact O-N 2.87Å; H362-G364 VanDerWaalsContact C-N 3.3Å; G364-R367 CarbonylContact O-C 3.57Å; G364-R367 PolarHBondContact O-N 3.3Å; G364-Q368 VanDerWaalsContact O-CB 3.31Å; G364-Q368 WeakPolarHBondContact O-CB 3.22Å; G364-Q368 VanDerWaalsContact O-CG 3.32Å; G364-Q368 WeakPolarHBondContact O-CG 3.22Å; G364-Q368 PolarHBondContact O-N 2.91Å |
| 365 | S | 57.7 | Low | 66.8 | Low | 71 Ų | 71 | 114.5 Ų | 114.5 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.6 | -45.4 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | C361 H362 R367 Q368 E369 | C361-S365 VanDerWaalsContact O-CB 3.22Å; C361-S365 WeakPolarHBondContact O-CB 3.32Å; C361-S365 PolarHBondContact O-N 2.83Å; H362-S365 PolarHBondContact O-N 3.36Å; S365-R367 PolarHBondContact O-N 2.85Å; S365-Q368 PolarHBondContact O-N 2.91Å; S365-E369 WeakPolarHBondContact O-CB 3.32Å; S365-E369 PolarHBondContact O-N 3.37Å |
| 366 | S | 56.8 | Low | 64.9 | Low | 77 Ų | 77 | 112 Ų | 112 | 54% | 0.538 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.4 | -36 | 176.3 | 70 | 0 | 0 | 0 | 0 | 113 | H362 C363 A370 | H362-S366 PolarHBondContact O-N 2.83Å; C363-S366 PolarHBondContact O-OG 3.49Å; C363-S366 VanDerWaalsContact O-OG 3.14Å; S366-A370 WeakPolarHBondContact O-CB 3.32Å; S366-A370 PolarHBondContact O-N 3.36Å; S366-A370 VanDerWaalsContact O-N 3.13Å |
| 367 | R | 54.1 | Low | 63.1 | Low | 193 Ų | 193 | 117.9 Ų | 117.9 | 73% | 0.728 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.5 | -37 | 171 | -76.4 | -178.5 | 173.1 | -144.2 | 0.1 | 113 | C363 G364 S365 T371 | C363-R367 WeakPolarHBondContact O-CB 3.42Å; C363-R367 WeakPolarHBondContact O-CG 3.35Å; C363-R367 PolarHBondContact O-N 3.4Å; C363-R367 VanDerWaalsContact O-N 3.11Å; G364-R367 CarbonylContact O-C 3.57Å; G364-R367 PolarHBondContact O-N 3.3Å; S365-R367 PolarHBondContact O-N 2.85Å; R367-T371 WeakPolarHBondContact O-CB 3.38Å; R367-T371 WeakPolarHBondContact O-CG2 3.3Å; R367-T371 PolarHBondContact O-N 3.26Å; R367-T371 PolarHBondContact O-OG1 3.44Å |
| 368 | Q | 54.3 | Low | 61.5 | Low | 130 Ų | 130 | 123 Ų | 123 | 61% | 0.607 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.4 | -37.2 | 177.7 | -79.5 | -174.8 | -2.4 | 0 | 0 | 111.8 | G364 S365 T371 R372 | G364-Q368 VanDerWaalsContact O-CB 3.31Å; G364-Q368 WeakPolarHBondContact O-CB 3.22Å; G364-Q368 VanDerWaalsContact O-CG 3.32Å; G364-Q368 WeakPolarHBondContact O-CG 3.22Å; G364-Q368 PolarHBondContact O-N 2.91Å; S365-Q368 PolarHBondContact O-N 2.91Å; Q368-T371 WeakPolarHBondContact CA-OG1 3.34Å; Q368-T371 PolarHBondContact O-N 3.46Å; Q368-T371 PolarHBondContact O-OG1 2.87Å; Q368-R372 VanDerWaalsContact O-CB 3.31Å; Q368-R372 WeakPolarHBondContact O-CB 3.43Å; Q368-R372 WeakPolarHBondContact O-CG 3.31Å; Q368-R372 PolarHBondContact O-N 3.47Å |
| 369 | E | 54.8 | Low | 59.5 | Low | 80 Ų | 80 | 123 Ų | 123 | 37% | 0.374 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.4 | -44.3 | 174 | -178.2 | 56.4 | -163.1 | 0 | 0 | 111.1 | S365 T371 R372 R373 | S365-E369 WeakPolarHBondContact O-CB 3.32Å; S365-E369 PolarHBondContact O-N 3.37Å; E369-T371 VanDerWaalsContact C-N 3.34Å; E369-T371 PolarHBondContact O-N 2.97Å; E369-R372 PolarHBondContact O-N 3.34Å; E369-R373 WeakPolarHBondContact O-CG 3.47Å; E369-R373 PolarHBondContact O-N 3.28Å; E369-R373 VanDerWaalsContact O-N 3.11Å; E369-R373 IonicContact OE1-CZ 3.13Å; E369-R373 IonicContact OE1-NE 3.62Å; E369-R373 PolarHBondContact OE1-NE 2.87Å; E369-R373 IonicContact OE1-NH2 2.7Å; E369-R373 PolarHBondContact OE1-NH2 2.91Å |
| 370 | A | 52.9 | Low | 57.7 | Low | 61 Ų | 61 | 127.5 Ų | 127.5 | 50% | 0.504 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.4 | -38.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | S366 R374 | S366-A370 WeakPolarHBondContact O-CB 3.32Å; S366-A370 PolarHBondContact O-N 3.36Å; S366-A370 VanDerWaalsContact O-N 3.13Å; A370-R374 PolarHBondContact O-N 3.36Å |
| 371 | T | 54.1 | Low | 56.2 | Low | 84 Ų | 84 | 128.5 Ų | 128.5 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -81.2 | -31.9 | 178.9 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | R367 Q368 E369 R374 R375 | R367-T371 WeakPolarHBondContact O-CB 3.38Å; R367-T371 WeakPolarHBondContact O-CG2 3.3Å; R367-T371 PolarHBondContact O-N 3.26Å; R367-T371 PolarHBondContact O-OG1 3.44Å; Q368-T371 WeakPolarHBondContact CA-OG1 3.34Å; Q368-T371 PolarHBondContact O-N 3.46Å; Q368-T371 PolarHBondContact O-OG1 2.87Å; E369-T371 VanDerWaalsContact C-N 3.34Å; E369-T371 PolarHBondContact O-N 2.97Å; T371-R374 PolarHBondContact O-N 3.37Å; T371-R375 PolarHBondContact O-N 2.93Å |
| 372 | R | 54 | Low | 54.5 | Low | 187 Ų | 187 | 130.7 Ų | 130.7 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.7 | -46 | 169.4 | -87 | -173.7 | 166.6 | -165.3 | -3.1 | 110.9 | Q368 E369 R374 R375 A376 | Q368-R372 VanDerWaalsContact O-CB 3.31Å; Q368-R372 WeakPolarHBondContact O-CB 3.43Å; Q368-R372 WeakPolarHBondContact O-CG 3.31Å; Q368-R372 PolarHBondContact O-N 3.47Å; E369-R372 PolarHBondContact O-N 3.34Å; R372-R374 PolarHBondContact O-N 3.49Å; R372-R375 PolarHBondContact O-N 2.89Å; R372-A376 WeakPolarHBondContact O-CB 3.36Å; R372-A376 PolarHBondContact O-N 2.88Å |
| 373 | R | 53.4 | Low | 53 | Low | 170 Ų | 170 | 130.3 Ų | 130.3 | 64% | 0.642 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.9 | -27 | 175.7 | -69.2 | -179.1 | -168.4 | -158.4 | 4.1 | 113.8 | E369 | E369-R373 WeakPolarHBondContact O-CG 3.47Å; E369-R373 PolarHBondContact O-N 3.28Å; E369-R373 VanDerWaalsContact O-N 3.11Å; E369-R373 IonicContact OE1-CZ 3.13Å; E369-R373 IonicContact OE1-NE 3.62Å; E369-R373 PolarHBondContact OE1-NE 2.87Å; E369-R373 IonicContact OE1-NH2 2.7Å; E369-R373 PolarHBondContact OE1-NH2 2.91Å |
| 374 | R | 53.3 | Low | 51.5 | Low | 199 Ų | 199 | 132.8 Ų | 132.8 | 75% | 0.751 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.7 | -50.2 | 167.7 | -83.1 | -170.6 | 172.1 | -168.1 | -1.6 | 112.4 | A370 T371 R372 A376 R377 | A370-R374 PolarHBondContact O-N 3.36Å; T371-R374 PolarHBondContact O-N 3.37Å; R372-R374 PolarHBondContact O-N 3.49Å; R374-A376 VanDerWaalsContact C-N 3.33Å; R374-A376 PolarHBondContact O-N 2.91Å; R374-R377 PolarHBondContact O-N 3.25Å |
| 375 | R | 53.2 | Low | 50.2 | Low | 210 Ų | 210 | 140.6 Ų | 140.6 | 79% | 0.792 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.4 | -37.8 | -174.6 | -121.3 | 175.8 | -163.4 | 172.4 | 5.8 | 112.9 | T371 R372 R377 F378 S379 | T371-R375 PolarHBondContact O-N 2.93Å; R372-R375 PolarHBondContact O-N 2.89Å; R375-R377 PolarHBondContact O-N 3.24Å; R375-R377 VanDerWaalsContact O-N 3.09Å; R375-F378 PolarHBondContact O-N 2.86Å; R375-S379 PolarHBondContact O-N 3.41Å |
| 376 | A | 52.5 | Low | 49.1 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -9.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R372 R374 | R372-A376 WeakPolarHBondContact O-CB 3.36Å; R372-A376 PolarHBondContact O-N 2.88Å; R374-A376 VanDerWaalsContact C-N 3.33Å; R374-A376 PolarHBondContact O-N 2.91Å |
| 377 | R | 51.7 | Low | 48.6 | Very low | 216 Ų | 216 | 147 Ų | 147 | 82% | 0.815 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -8.7 | 173.1 | -66.5 | -175 | 175.4 | -165.3 | -2.6 | 114.1 | R374 R375 | R374-R377 PolarHBondContact O-N 3.25Å; R375-R377 PolarHBondContact O-N 3.24Å; R375-R377 VanDerWaalsContact O-N 3.09Å |
| 378 | F | 53.6 | Low | 48 | Very low | 167 Ų | 167 | 145 Ų | 145 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -14.5 | -177.5 | -78.4 | -79.8 | 0 | 0 | 0 | 114.3 | R375 K380 | R375-F378 PolarHBondContact O-N 2.86Å; F378-K380 PolarHBondContact O-N 2.83Å |
| 379 | S | 44.9 | Very low | 47.5 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 36.9 | 177.7 | 63 | 0 | 0 | 0 | 0 | 114.5 | R375 | R375-S379 PolarHBondContact O-N 3.41Š|
| 380 | K | 46.4 | Very low | 46.9 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 13.2 | 177.6 | -150.3 | -178.7 | 179.3 | -179.8 | 0 | 113.4 | F378 | F378-K380 PolarHBondContact O-N 2.83Š|
| 381 | L | 50.2 | Low | 46.5 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -136.2 | 151.1 | 177.1 | -84.8 | 170.8 | 0 | 0 | 0 | 112.4 | ||
| 382 | T | 40.7 | Very low | 46.1 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | 54.9 | 90.1 | 165 | 54.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 383 | V | 42.8 | Very low | 44.9 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -62.9 | 161.7 | 139.9 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 384 | V | 37.4 | Very low | 44 | Very low | 123 Ų | 123 | 145 Ų | 145 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | trans | 135.3 | 96.1 | 149.5 | 173.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 385 | K | 34.4 | Very low | 43.3 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | 68.7 | 135.5 | 119.5 | -151 | -172.1 | -175.2 | 175.3 | 0 | 122.3 | |||||
| 386 | K | 35.1 | Very low | 42.3 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | trans | 106.2 | 94.9 | 138.1 | -135.6 | -172.8 | 177.6 | -166.5 | 0 | 122.1 | ||||
| 387 | D | 47.2 | Very low | 41.3 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | 34.4 | 149.7 | 120.6 | -26 | -40.4 | 0 | 0 | 0 | 125.5 | |||||
| 388 | Q | 42 | Very low | 40.3 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 103.3 | 117 | 140.6 | -78.3 | -167.3 | -84.5 | 0 | 0 | 124.3 | ||||
| 389 | T | 43.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 65.7 | 158.2 | 134.9 | 58.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 390 | T | 42.3 | Very low | 38.5 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -175.7 | 163 | -22.4 | -81.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 391 | S | 43.3 | Very low | 37.6 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 96.5 | 117.6 | 150.9 | 158.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 392 | T | 46.4 | Very low | 36.4 | Very low | 120 Ų | 120 | 143 Ų | 143 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 57.4 | 172.5 | 134.3 | 76.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 393 | H | 28.3 | Very low | 35.8 | Very low | 162 Ų | 162 | 140 Ų | 140 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | cis | -142.1 | -133.1 | 6.6 | -143.3 | -69 | 0 | 0 | 0 | 114.9 | ||||
| 394 | T | 35.3 | Very low | 35.1 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 58% | 0.583 | 77% | 0.765 | S | S | * | * | trans | -137.1 | 148.6 | -159.1 | 52.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 395 | E | 37.4 | Very low | 34.7 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 49.1 | 159.5 | 134.6 | -60.7 | 167.8 | -138.4 | 0 | 0 | 121.4 | ||||
| 396 | E | 33.8 | Very low | 34.3 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | cis | -139.1 | 179.8 | 10.3 | -63.4 | 177.4 | 168.4 | 0 | 0 | 111.7 | ||||
| 397 | G | 30.4 | Very low | 34.1 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 141.5 | 136.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 398 | L | 30.5 | Very low | 33.2 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -116.2 | 141.9 | -177.8 | -79.2 | 166.4 | 0 | 0 | 0 | 113.9 | ||||
| 399 | L | 29.1 | Very low | 32.5 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -176 | 168.1 | 130.7 | -101.8 | 173.5 | 0 | 0 | 0 | 112.7 | ||||
| 400 | L | 31.2 | Very low | 31.7 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -76.3 | 149.1 | -168.2 | -67.5 | 80.2 | 0 | 0 | 0 | 115.1 | ||||
| 401 | R | 27.6 | Very low | 31 | Very low | 227 Ų | 227 | 132.4 Ų | 132.4 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | 170.1 | 140.8 | 105.4 | 176.9 | 168.9 | 174.4 | 175.5 | -3.7 | 114.7 | |||||
| 402 | S | 27 | Very low | 30.3 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 37.6 | 129.5 | 157.3 | -57.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 403 | G | 27.3 | Very low | 29.3 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 153.6 | 105.7 | 149 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 404 | D | 27.1 | Very low | 29.2 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | 40.7 | 139.6 | 141 | -58.7 | 1.2 | 0 | 0 | 0 | 123.9 | ||||
| 405 | N | 28.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 82.7 | 134.7 | 144.6 | -64.6 | -34.2 | 0 | 0 | 0 | 122.5 | ||||
| 406 | S | 27.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 69.1 | 112.3 | 138.6 | -66.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 407 | L | 30.7 | Very low | 28.2 | Very low | 168 Ų | 168 | 128 Ų | 128 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | 56.4 | 145.2 | 122.5 | -62.9 | 172.6 | 0 | 0 | 0 | 121.9 | |||||
| 408 | A | 26.8 | Very low | 28.2 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 75.9 | 83.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 409 | S | 28.1 | Very low | 28.4 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | 28 | 112.5 | 121.4 | 61 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 410 | C | 26.1 | Very low | 28.9 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | -166.3 | 133.1 | 123.4 | -93.7 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 411 | S | 28 | Very low | 28.8 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | 70.9 | 154.1 | 51.2 | 93.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 412 | V | 29.8 | Very low | 29 | Very low | 124 Ų | 124 | 127 Ų | 127 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 79.2 | 129.7 | -177.1 | -176.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 413 | Q | 25 | Very low | 29 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | cis | -152.4 | 155.1 | -1.4 | -139.7 | 162.2 | -11.5 | 0 | 0 | 113.2 | ||||
| 414 | C | 25 | Very low | 29.2 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 91% | 0.912 | 76% | 0.763 | S | S | * | * | -151.9 | 124.2 | 127.1 | -130.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 415 | E | 27.5 | Very low | 29.2 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | trans | -83.5 | 168.8 | 171.4 | -110.3 | -105.3 | 119.5 | 0 | 0 | 109.2 | S417 | E415-S417 PolarHBondContact OE1-N 3.37Š| ||
| 416 | P | 33.8 | Very low | 29.2 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -143.3 | 155.2 | 30.8 | 40.2 | -19.7 | 0 | 0 | 0 | 121.4 | ||||
| 417 | S | 25.7 | Very low | 29.4 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | 87.4 | 148.5 | 137.4 | 77.2 | 0 | 0 | 0 | 0 | 122.9 | E415 | E415-S417 PolarHBondContact OE1-N 3.37Š| ||
| 418 | S | 29.5 | Very low | 29.4 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 89.3 | 52.6 | 153.5 | 72 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 419 | T | 34 | Very low | 29.5 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | 57.1 | -171.1 | 126.8 | 65.4 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 420 | P | 39.9 | Very low | 29.6 | Very low | 115 Ų | 115 | 145 Ų | 145 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -126.5 | 156.9 | -93.5 | 38.9 | -22.6 | 0 | 0 | 0 | 116 | |||||
| 421 | R | 29.4 | Very low | 29.8 | Very low | 243 Ų | 243 | 148.1 Ų | 148.1 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -142.2 | 117.5 | 163.9 | -75.4 | -171.5 | 173.6 | 178.8 | -1.2 | 112.7 | ||||
| 422 | H | 31 | Very low | 29.9 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 89% | 0.889 | 79% | 0.785 | S | S | * | * | trans | -170.3 | 101.6 | 143.5 | -110.4 | -68.6 | 0 | 0 | 0 | 112.8 | ||||
| 423 | K | 28.3 | Very low | 30.6 | Very low | 204 Ų | 204 | 150.2 Ų | 150.2 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -177 | 124.6 | 148.3 | -102.4 | 168.2 | -178.5 | -178.6 | 0 | 105.7 | ||||
| 424 | A | 31.3 | Very low | 30.6 | Very low | 85 Ų | 85 | 146 Ų | 146 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | cis | 82.6 | 131.2 | 36 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 425 | N | 25.8 | Very low | 30.8 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 68.7 | 135 | -174.1 | -83.5 | 6.3 | 0 | 0 | 0 | 118.6 | ||||
| 426 | Y | 30.2 | Very low | 31 | Very low | 207 Ų | 207 | 145.8 Ų | 145.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -112.6 | 154.1 | 173.9 | -30.1 | -86.3 | 0 | 0 | 0 | 108.4 | ||||
| 427 | N | 32 | Very low | 30.8 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | 149.5 | 118.3 | 140.4 | -79.4 | -5.1 | 0 | 0 | 0 | 110.3 | ||||
| 428 | I | 29.6 | Very low | 30.9 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | trans | -152.3 | 152.3 | 145.6 | -103.3 | 151 | 0 | 0 | 0 | 107.6 | ||||
| 429 | Y | 29 | Very low | 31.2 | Very low | 209 Ų | 209 | 146 Ų | 146 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | trans | -69.5 | 154.1 | -164.8 | -94.7 | -135.5 | 0 | 0 | 0 | 116.4 | ||||
| 430 | V | 30.1 | Very low | 31.3 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | trans | 69.9 | 141.2 | 139.7 | 168.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 431 | E | 30 | Very low | 31.8 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | cis | -137.5 | 167.9 | 28.4 | -156.1 | 147.5 | -132.2 | 0 | 0 | 115 | ||||
| 432 | D | 31.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -79.5 | -172.9 | 169.4 | -133.6 | 8.3 | 0 | 0 | 0 | 109.8 | ||||
| 433 | P | 44 | Very low | 31.7 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | cis | -128.3 | 162.8 | 1.6 | 41.3 | -25.6 | 0 | 0 | 0 | 116.1 | ||||
| 434 | G | 25.9 | Very low | 31.8 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -176.6 | 69.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 435 | S | 29.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 49.8 | 101.4 | 158.8 | 58.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 436 | L | 31.9 | Very low | 32 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | 73.2 | 102 | 123.8 | -63.2 | 166.5 | 0 | 0 | 0 | 121.4 | |||||
| 437 | T | 28.1 | Very low | 32 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | 75.3 | 78.3 | 116.9 | -44.1 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 438 | A | 27.6 | Very low | 31.9 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | 43.8 | 118.6 | 106.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 439 | A | 36.5 | Very low | 31.9 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | -72.4 | 151.6 | 121.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 440 | P | 36.6 | Very low | 32 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | -143.6 | -132 | 74 | 32.6 | -6.4 | 0 | 0 | 0 | 113.4 | |||||
| 441 | P | 50 | Low | 31.9 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | -134.4 | -151 | -104.1 | 45.1 | -26.1 | 0 | 0 | 0 | 114.1 | |||||
| 442 | Y | 26.1 | Very low | 31.8 | Very low | 206 Ų | 206 | 128.5 Ų | 128.5 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | 93.1 | 127.4 | 162.1 | -85.7 | -64.5 | 0 | 0 | 0 | 120.5 | ||||
| 443 | D | 32.5 | Very low | 31.7 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -57.8 | 147.1 | 144.8 | -55.2 | -84.2 | 0 | 0 | 0 | 110.9 | ||||
| 444 | N | 30.1 | Very low | 31.4 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | 171.2 | 148.5 | 109.4 | -97.1 | -71 | 0 | 0 | 0 | 115.5 | |||||
| 445 | I | 31.7 | Very low | 31.8 | Very low | 140 Ų | 140 | 134 Ų | 134 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | 70.2 | 117.1 | 142.2 | -67.4 | 165.4 | 0 | 0 | 0 | 120.1 | ||||
| 446 | T | 29.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | 9.3 | 136.4 | 152.2 | 62.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 447 | S | 30.5 | Very low | 32.5 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | -174.9 | 152.7 | 83.4 | -70.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 448 | D | 29.2 | Very low | 32.6 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 48.5 | 145.5 | 142.6 | -154.2 | 23.8 | 0 | 0 | 0 | 123.7 | ||||
| 449 | R | 29.7 | Very low | 32.8 | Very low | 183 Ų | 183 | 143 Ų | 143 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | 76.1 | 104.6 | 144.7 | -132.7 | 151.9 | 176.6 | 157.1 | -2 | 124.2 | ||||
| 450 | M | 31.8 | Very low | 32.7 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | 73.9 | 131.2 | 129.5 | -74.9 | 177.5 | 179.6 | 0 | 0 | 123 | |||||
| 451 | K | 28.3 | Very low | 32.5 | Very low | 212 Ų | 212 | 146 Ų | 146 | 92% | 0.922 | 77% | 0.769 | S | S | * | * | trans | 72.2 | 102.1 | 139.8 | -152.1 | 177.4 | -169.9 | -176.4 | 0 | 117.3 | ||||
| 452 | G | 28.1 | Very low | 32.1 | Very low | 70 Ų | 70 | 147.2 Ų | 147.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -92.2 | -167.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 453 | T | 27.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -166.8 | 150.3 | 166.1 | -74 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 454 | Q | 37.8 | Very low | 33.2 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -85 | 153.1 | 175.4 | -76.7 | -176.2 | -31.1 | 0 | 0 | 113.1 | ||||
| 455 | P | 35.1 | Very low | 34.2 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -117 | 167.5 | 143.5 | -2.6 | 24.4 | 0 | 0 | 0 | 113.7 | ||||
| 456 | P | 37.2 | Very low | 34.9 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -100.1 | 174 | -166 | 4.9 | 17.9 | 0 | 0 | 0 | 115.1 | ||||
| 457 | P | 38.6 | Very low | 35.4 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | -89.2 | 158.4 | -176.3 | 36.2 | -36 | 0 | 0 | 0 | 114.6 | ||||
| 458 | H | 30.5 | Very low | 36.2 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 91% | 0.912 | 73% | 0.725 | S | S | * | * | trans | -133.8 | 156.7 | 163.7 | -89.4 | -76.2 | 0 | 0 | 0 | 111.9 | ||||
| 459 | Y | 31.1 | Very low | 37 | Very low | 223 Ų | 223 | 136.5 Ų | 136.5 | 88% | 0.875 | 71% | 0.713 | S | S | * | * | trans | -105.5 | 146.8 | -167.2 | -161.7 | -92.9 | 0 | 0 | 0 | 110.4 | ||||
| 460 | I | 34.3 | Very low | 37.6 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -128.3 | 146 | 179.4 | -66 | -177.1 | 0 | 0 | 0 | 110.5 | ||||
| 461 | N | 32.3 | Very low | 37.8 | Very low | 115 Ų | 115 | 135 Ų | 135 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | trans | -80.2 | 163.4 | -169 | -170.8 | 25.8 | 0 | 0 | 0 | 113.8 | E463 | N461-E463 PolarHBondContact ND2-OE2 3.41Š| ||
| 462 | N | 42.9 | Very low | 38.5 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 66% | 0.663 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -104.3 | 4.5 | -157.2 | -154.2 | 20.9 | 0 | 0 | 0 | 115.7 | ||
| 463 | E | 41.1 | Very low | 39.1 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -86.7 | -24.2 | -169 | -71.2 | 166.2 | 106 | 0 | 0 | 114.3 | N461 | N461-E463 PolarHBondContact ND2-OE2 3.41Å |
| 464 | D | 39.8 | Very low | 39.5 | Very low | 101 Ų | 101 | 132 Ų | 132 | 54% | 0.54 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -76.4 | -23.1 | 176.3 | -75.3 | -44.7 | 0 | 0 | 0 | 113.3 | R467 I468 | D464-R467 IonicContact OD1-CZ 3.14Å; D464-R467 IonicContact OD1-NE 2.67Å; D464-R467 IonicContact OD1-NH2 3.55Å; D464-R467 PolarHBondContact OD1-NH2 3.49Å; D464-I468 WeakPolarHBondContact O-CG1 3.4Å; D464-I468 PolarHBondContact O-N 3.27Å |
| 465 | V | 51.3 | Low | 39.4 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 52% | 0.515 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -66.5 | -42.8 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | R467 I468 C469 | V465-R467 PolarHBondContact O-N 3.35Å; V465-I468 PolarHBondContact O-N 3.34Å; V465-I468 VanDerWaalsContact O-N 3.15Å; V465-C469 PolarHBondContact O-N 2.81Å |
| 466 | A | 45.6 | Very low | 39.5 | Very low | 62 Ų | 62 | 134 Ų | 134 | 51% | 0.512 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -59.2 | -45 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I468 C469 E470 | A466-I468 PolarHBondContact O-N 2.87Å; A466-C469 PolarHBondContact O-N 2.87Å; A466-E470 PolarHBondContact O-N 3.42Å; A466-E470 VanDerWaalsContact O-N 3.16Å |
| 467 | R | 40.1 | Very low | 39.4 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 63% | 0.634 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.8 | -19.5 | 179.4 | -64.3 | -167.1 | -69.3 | -174.4 | -2.8 | 113.8 | D464 V465 K471 | D464-R467 IonicContact OD1-CZ 3.14Å; D464-R467 IonicContact OD1-NE 2.67Å; D464-R467 IonicContact OD1-NH2 3.55Å; D464-R467 PolarHBondContact OD1-NH2 3.49Å; V465-R467 PolarHBondContact O-N 3.35Å; R467-K471 WeakPolarHBondContact O-CB 3.31Å |
| 468 | I | 49 | Very low | 39.3 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 64% | 0.641 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -82.5 | -39 | 174.5 | -65.4 | 172.6 | 0 | 0 | 0 | 110.6 | D464 V465 A466 A472 | D464-I468 WeakPolarHBondContact O-CG1 3.4Å; D464-I468 PolarHBondContact O-N 3.27Å; V465-I468 PolarHBondContact O-N 3.34Å; V465-I468 VanDerWaalsContact O-N 3.15Å; A466-I468 PolarHBondContact O-N 2.87Å; I468-A472 WeakPolarHBondContact O-CB 3.48Å; I468-A472 PolarHBondContact O-N 3.27Å; I468-A472 VanDerWaalsContact O-N 3.11Å |
| 469 | C | 45.8 | Very low | 39.4 | Very low | 72 Ų | 72 | 132 Ų | 132 | 49% | 0.486 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -62.4 | -51.8 | 175.2 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | V465 A466 K471 A472 E473 | V465-C469 PolarHBondContact O-N 2.81Å; A466-C469 PolarHBondContact O-N 2.87Å; C469-K471 VanDerWaalsContact C-N 3.25Å; C469-K471 PolarHBondContact O-N 2.84Å; C469-A472 WeakPolarHBondContact O-CA 3.43Å; C469-A472 WeakPolarHBondContact O-CB 3.47Å; C469-A472 PolarHBondContact O-N 3.42Å; C469-E473 PolarHBondContact O-N 2.73Å |
| 470 | E | 41.4 | Very low | 39.7 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 67% | 0.673 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -56.8 | -39.9 | -179.7 | -172.5 | 176.7 | -144.3 | 0 | 0 | 111.9 | A466 A472 E473 Q474 | A466-E470 PolarHBondContact O-N 3.42Å; A466-E470 VanDerWaalsContact O-N 3.16Å; E470-A472 VanDerWaalsContact C-N 3.33Å; E470-A472 PolarHBondContact O-N 3.4Å; E470-E473 PolarHBondContact O-N 3.49Å; E470-Q474 PolarHBondContact O-N 2.79Å |
| 471 | K | 36.1 | Very low | 39.5 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.3 | -17.8 | 177.3 | -163.7 | 167.6 | -176.3 | 174.9 | 0 | 114.2 | R467 C469 N475 | R467-K471 WeakPolarHBondContact O-CB 3.31Å; C469-K471 VanDerWaalsContact C-N 3.25Å; C469-K471 PolarHBondContact O-N 2.84Å; K471-N475 PolarHBondContact O-ND2 3.11Å; K471-N475 VanDerWaalsContact O-ND2 3.09Å |
| 472 | A | 42.2 | Very low | 39.5 | Very low | 58 Ų | 58 | 129.1 Ų | 129.1 | 48% | 0.479 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -83.1 | -34.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | I468 C469 E470 | I468-A472 WeakPolarHBondContact O-CB 3.48Å; I468-A472 PolarHBondContact O-N 3.27Å; I468-A472 VanDerWaalsContact O-N 3.11Å; C469-A472 WeakPolarHBondContact O-CA 3.43Å; C469-A472 WeakPolarHBondContact O-CB 3.47Å; C469-A472 PolarHBondContact O-N 3.42Å; E470-A472 VanDerWaalsContact C-N 3.33Å; E470-A472 PolarHBondContact O-N 3.4Å |
| 473 | E | 40.7 | Very low | 38.8 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -72.1 | -40.3 | -179.9 | -67.5 | -173.8 | 155 | 0 | 0 | 112.3 | C469 E470 N475 R476 | C469-E473 PolarHBondContact O-N 2.73Å; E470-E473 PolarHBondContact O-N 3.49Å; E473-N475 PolarHBondContact O-N 3.07Å; E473-R476 WeakPolarHBondContact O-CB 3.37Å; E473-R476 PolarHBondContact O-N 3.38Å |
| 474 | Q | 36.5 | Very low | 38.2 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -28.7 | 176.7 | -162.8 | 67.4 | 13.7 | 0 | 0 | 113.3 | E470 R476 | E470-Q474 PolarHBondContact O-N 2.79Å; Q474-R476 VanDerWaalsContact C-N 3.35Å |
| 475 | N | 35.5 | Very low | 37.8 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -11 | 175.4 | -81 | -52.2 | 0 | 0 | 0 | 113.7 | K471 E473 | K471-N475 PolarHBondContact O-ND2 3.11Å; K471-N475 VanDerWaalsContact O-ND2 3.09Å; E473-N475 PolarHBondContact O-N 3.07Å |
| 476 | R | 36.8 | Very low | 36.6 | Very low | 219 Ų | 219 | 141.6 Ų | 141.6 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -10.8 | -173.7 | -152 | 172.3 | -167.2 | 143.6 | 4.8 | 113.8 | E473 Q474 | E473-R476 WeakPolarHBondContact O-CB 3.37Å; E473-R476 PolarHBondContact O-N 3.38Å; Q474-R476 VanDerWaalsContact C-N 3.35Å |
| 477 | A | 35.5 | Very low | 35.8 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -2.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 478 | N | 36.3 | Very low | 35.2 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -135.4 | 24.8 | -164.3 | -161.5 | 30 | 0 | 0 | 0 | 115.9 | ||
| 479 | M | 33 | Very low | 34.3 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | -139.7 | 127.8 | 171.1 | -78.8 | -64 | 149.6 | 0 | 0 | 111.9 | S481 | M479-S481 PolarHBondContact O-N 3.45Š| ||
| 480 | N | 37.6 | Very low | 33.6 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 94% | 0.941 | 74% | 0.744 | S | S | * | * | trans | -60.1 | 130.8 | 167 | -89.6 | -27.8 | 0 | 0 | 0 | 109.7 | ||||
| 481 | S | 29.6 | Very low | 33.2 | Very low | 121 Ų | 121 | 148 Ų | 148 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -112.4 | 93.1 | 179.7 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | M479 | M479-S481 PolarHBondContact O-N 3.45Š| ||
| 482 | D | 32.4 | Very low | 32.7 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -132.6 | 128.4 | 164.3 | -143.2 | -16.4 | 0 | 0 | 0 | 109 | ||||
| 483 | N | 29 | Very low | 32 | Very low | 130 Ų | 130 | 154.2 Ų | 154.2 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | 64 | 122.6 | -168.5 | -47.2 | -89.1 | 0 | 0 | 0 | 116.7 | ||||
| 484 | F | 27.4 | Very low | 31.5 | Very low | 215 Ų | 215 | 154.1 Ų | 154.1 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | -154 | 139.9 | 125.1 | -118.8 | -76.1 | 0 | 0 | 0 | 110.5 | |||||
| 485 | F | 31.5 | Very low | 31.1 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | trans | -83.3 | 150.7 | -178.4 | -82.7 | -107.6 | 0 | 0 | 0 | 112.3 | ||||
| 486 | Q | 26.9 | Very low | 31.1 | Very low | 192 Ų | 192 | 155.5 Ų | 155.5 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -93.3 | 141.4 | 148.1 | -75.7 | -173.2 | -43.7 | 0 | 0 | 109.1 | ||||
| 487 | D | 28 | Very low | 30.9 | Very low | 83 Ų | 83 | 151 Ų | 151 | 44% | 0.444 | 78% | 0.783 | S | S | . | * | trans | -147.4 | 149.3 | 169.1 | -172.7 | 13.7 | 0 | 0 | 0 | 110 | Y324 | Y324-D487 PolarHBondContact OH-OD1 3.27Š| ||
| 488 | K | 29 | Very low | 30.9 | Very low | 152 Ų | 152 | 151 Ų | 151 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | 51 | 102.3 | 174.3 | -71.4 | 135.5 | -170.1 | 151 | 0 | 118.7 | ||||
| 489 | L | 29.7 | Very low | 30.7 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | -154.8 | 129.2 | 113.8 | -111.4 | 162.9 | 0 | 0 | 0 | 110.7 | |||||
| 490 | V | 31.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | -105.6 | 117.2 | -172.6 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 491 | H | 32.1 | Very low | 30.2 | Very low | 174 Ų | 174 | 151.1 Ų | 151.1 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 34.4 | 134.8 | 158.5 | -52.7 | -44.2 | 0 | 0 | 0 | 121.4 | ||||
| 492 | I | 26.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | -156.7 | 129.5 | 114.6 | -100.1 | 150.6 | 0 | 0 | 0 | 110 | |||||
| 493 | Y | 27.1 | Very low | 30.1 | Very low | 188 Ų | 188 | 149 Ų | 149 | 74% | 0.737 | 78% | 0.777 | S | S | * | * | trans | 46.9 | 137.9 | 163.7 | -90.5 | -103.4 | 0 | 0 | 0 | 123.1 | ||||
| 494 | N | 29.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 61.9 | 118.5 | 155.5 | -64.9 | -13.1 | 0 | 0 | 0 | 120.1 | ||||
| 495 | Q | 28.6 | Very low | 30.3 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -116.9 | 153.1 | 142.3 | -82.1 | -168.9 | -13.2 | 0 | 0 | 109.5 | ||||
| 496 | P | 34.4 | Very low | 30.3 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -87.3 | 149.2 | -154.4 | 32.7 | -36.4 | 0 | 0 | 0 | 114.9 | ||||
| 497 | V | 34.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -77.4 | 126 | 164.7 | 176.3 | 0 | 0 | 0 | 0 | 109.1 | I499 | V497-I499 HydrophobicContact CG1-CG1 4.03Å; V497-I499 PolarHBondContact O-N 3.14Å | ||
| 498 | A | 34.8 | Very low | 30.2 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -76.1 | 101.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I500 | A498-I500 PolarHBondContact O-N 2.75Š| ||
| 499 | I | 31 | Very low | 30.3 | Very low | 141 Ų | 141 | 148 Ų | 148 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | -82.6 | 107.5 | 173.2 | -58.4 | 176.2 | 0 | 0 | 0 | 108.1 | V497 | V497-I499 HydrophobicContact CG1-CG1 4.03Å; V497-I499 PolarHBondContact O-N 3.14Å | ||
| 500 | I | 32.2 | Very low | 30.2 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 118 | 166.6 | -58.8 | 178.6 | 0 | 0 | 0 | 107.2 | A498 | A498-I500 PolarHBondContact O-N 2.75Š|
| 501 | Q | 28.2 | Very low | 30.3 | Very low | 177 Ų | 177 | 151.1 Ų | 151.1 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 135.8 | 172.9 | -70 | 179.3 | -43.2 | 0 | 0 | 109.9 | ||
| 502 | A | 27.3 | Very low | 30 | Very low | 90 Ų | 90 | 152.2 Ų | 152.2 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 138.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 503 | P | 33.4 | Very low | 30 | Very low | 126 Ų | 126 | 152.4 Ų | 152.4 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 147.4 | 152.9 | -14 | 30.2 | 0 | 0 | 0 | 110 | ||
| 504 | E | 31.6 | Very low | 30.3 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 146.1 | 179.5 | -56.1 | 178.4 | 147.7 | 0 | 0 | 112.3 | ||
| 505 | L | 29.3 | Very low | 30.1 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -166.8 | 119.4 | 133 | -108.4 | 164.9 | 0 | 0 | 0 | 110.7 | ||||
| 506 | F | 31.5 | Very low | 30.1 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -82 | 149.4 | 171.1 | -82.2 | -99.4 | 0 | 0 | 0 | 111 | ||||
| 507 | G | 24.7 | Very low | 29.8 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | -134.8 | 55.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 508 | A | 28.5 | Very low | 29.5 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | trans | -96 | 147.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 509 | Q | 30.4 | Very low | 29.1 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -97.3 | 118.8 | -168.6 | 172.3 | -175.8 | -25.8 | 0 | 0 | 111.8 | ||||
| 510 | E | 28.5 | Very low | 29 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | -146.6 | 160.2 | 166.1 | -162.5 | 157.5 | -152.3 | 0 | 0 | 111.5 | ||||
| 511 | Q | 32.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | trans | -110.9 | 124.6 | -161.8 | -65 | 160 | -107.9 | 0 | 0 | 113.2 | ||||
| 512 | Q | 26.5 | Very low | 29.8 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -167 | 152.4 | 145.1 | -111 | 161.4 | 16.7 | 0 | 0 | 114.1 | ||||
| 513 | L | 25.3 | Very low | 30.1 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 86% | 0.859 | 84% | 0.842 | S | S | * | * | trans | -115.7 | 172.5 | 168.5 | -76.4 | 96.6 | 0 | 0 | 0 | 108.6 | ||||
| 514 | P | 33.9 | Very low | 29.8 | Very low | 127 Ų | 127 | 152 Ų | 152 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | cis | -127.8 | 164.2 | -25.4 | 31.5 | -14 | 0 | 0 | 0 | 113.6 | ||||
| 515 | G | 26.3 | Very low | 29.7 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | -159.2 | 130.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 516 | C | 27.3 | Very low | 29.7 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | trans | -72.4 | 132 | -165.7 | -63.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 517 | K | 29.4 | Very low | 29.6 | Very low | 212 Ų | 212 | 142.3 Ų | 142.3 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | trans | 24.7 | 126.4 | 135.1 | -63.9 | -179.2 | 176.2 | 179.7 | 0 | 122.8 | ||||
| 518 | A | 26.3 | Very low | 30 | Very low | 93 Ų | 93 | 149.9 Ų | 149.9 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | -161.9 | 140.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 519 | A | 26.9 | Very low | 30.1 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | cis | 68.3 | 128.5 | 49.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 520 | T | 29.6 | Very low | 30.1 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | cis | -148.2 | 170.1 | 34.5 | 38 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 521 | F | 25.2 | Very low | 30.4 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -80.1 | -167.1 | 174 | -87.5 | -74.4 | 0 | 0 | 0 | 114.6 | ||||
| 522 | P | 52.6 | Low | 30.4 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | cis | -139.6 | 177.5 | -34.1 | 33.7 | -15.2 | 0 | 0 | 0 | 115.1 | ||||
| 523 | R | 32.3 | Very low | 30.8 | Very low | 220 Ų | 220 | 143.1 Ų | 143.1 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | -179.4 | 138.8 | 113.8 | -103.4 | -169.3 | 157.5 | 123.5 | -2 | 115.9 | |||||
| 524 | N | 28.2 | Very low | 31.7 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 23.6 | 133.9 | 146.1 | -49.2 | 14.9 | 0 | 0 | 0 | 119.1 | ||||
| 525 | G | 28.6 | Very low | 31.5 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | cis | 162.5 | -173.7 | 7.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 526 | A | 29.3 | Very low | 31.5 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | cis | -163.3 | 164.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 527 | E | 30.6 | Very low | 31.8 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 44.5 | 110.7 | 148.7 | -68.5 | 164.8 | -146.6 | 0 | 0 | 122.4 | ||||
| 528 | Y | 32.4 | Very low | 32 | Very low | 245 Ų | 245 | 138.9 Ų | 138.9 | 96% | 0.961 | 78% | 0.777 | S | S | * | * | -151.1 | 146.3 | 104.3 | -113.8 | -81.6 | 0 | 0 | 0 | 109.3 | |||||
| 529 | D | 30.3 | Very low | 32 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | trans | -135.1 | 150.2 | -169.3 | -165.6 | -10.2 | 0 | 0 | 0 | 111.5 | H531 | D529-H531 IonicContact OD1-CE1 2.63Å; D529-H531 IonicContact OD1-ND1 3.64Å; D529-H531 IonicContact OD2-CE1 3.96Å; D529-H531 PolarHBondContact OD2-CE1 3.28Å; D529-H531 IonicContact OD2-ND1 3.63Å; D529-H531 IonicContact OD2-NE2 3.86Å | ||
| 530 | T | 31.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -156.4 | 96.2 | 162.1 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 531 | H | 34.7 | Very low | 32.3 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | trans | -51.4 | 153 | 175.5 | -44.1 | -64.8 | 0 | 0 | 0 | 114.5 | D529 | D529-H531 IonicContact OD1-CE1 2.63Å; D529-H531 IonicContact OD1-ND1 3.64Å; D529-H531 IonicContact OD2-CE1 3.96Å; D529-H531 PolarHBondContact OD2-CE1 3.28Å; D529-H531 IonicContact OD2-ND1 3.63Å; D529-H531 IonicContact OD2-NE2 3.86Å | ||
| 532 | S | 30.6 | Very low | 32.5 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | 177.3 | 117.7 | 93.1 | 40.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 533 | E | 36.7 | Very low | 31.5 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -130 | 151 | 140.9 | -164.5 | -168.7 | -160.4 | 0 | 0 | 105.1 | ||||
| 534 | P | 43.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -158.4 | 171.7 | 115.3 | 40 | -22 | 0 | 0 | 0 | 117.4 | |||||
| 535 | A | 29.7 | Very low | 32.2 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 79.8 | 153.1 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 536 | N | 26.6 | Very low | 32.2 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | -173.1 | 130.8 | -24 | -173.3 | 40.7 | 0 | 0 | 0 | 111.6 | ||||
| 537 | K | 33.8 | Very low | 32.3 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 70% | 0.7 | 77% | 0.773 | S | S | * | * | trans | 52.3 | 137.8 | 144.3 | -82.8 | -178.7 | 167.7 | -159.6 | 0 | 126.8 | ||||
| 538 | D | 32.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | 85.8 | 129 | 130 | -62.3 | -9.9 | 0 | 0 | 0 | 125.3 | |||||
| 539 | N | 27.1 | Very low | 32.1 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 85.2 | 104.8 | 140.8 | -74.1 | -29.1 | 0 | 0 | 0 | 126 | ||||
| 540 | Y | 30.4 | Very low | 32.1 | Very low | 206 Ų | 206 | 143 Ų | 143 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | 63.8 | 114.5 | 114.9 | -116.1 | -81.7 | 0 | 0 | 0 | 124 | |||||
| 541 | T | 33.1 | Very low | 31.9 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -175.1 | 122.5 | 138.6 | 16.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 542 | Q | 29.8 | Very low | 31.5 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | 68.8 | 94.7 | 67.8 | -165.7 | -175.8 | 90.8 | 0 | 0 | 115.6 | |||||
| 543 | T | 30.3 | Very low | 31.4 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | -179.7 | 144.5 | 129.9 | 22.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 544 | L | 33.7 | Very low | 30.9 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -164.3 | 128.5 | 173.8 | -146 | 176.4 | 0 | 0 | 0 | 109.9 | ||||
| 545 | P | 41.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -147.1 | 178.4 | 135.3 | 40.5 | -25.5 | 0 | 0 | 0 | 111.6 | ||||
| 546 | K | 29.6 | Very low | 31.2 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | cis | -153.9 | 155.6 | -2.9 | -130.7 | 157.9 | 179.8 | 175.5 | 0 | 106.1 | ||||
| 547 | V | 30 | Very low | 31.2 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | cis | 142.7 | 127.1 | 34.7 | -40 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 548 | H | 28 | Very low | 30.9 | Very low | 152 Ų | 152 | 136 Ų | 136 | 70% | 0.704 | 78% | 0.782 | S | S | * | * | trans | 92 | 133.4 | 153.3 | -41.8 | 111.8 | 0 | 0 | 0 | 117.6 | ||||
| 549 | S | 30.9 | Very low | 30.6 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | 84.3 | 148.9 | 30.7 | 81.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 550 | Q | 31.7 | Very low | 31.8 | Very low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | cis | -170.6 | 157.2 | 28.3 | -168.1 | 177.5 | 7.5 | 0 | 0 | 113.4 | ||||
| 551 | G | 26.5 | Very low | 31.6 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 81.4 | 158.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 552 | G | 26.3 | Very low | 31.5 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | cis | 177.5 | 147.6 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 553 | S | 28.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 41.6 | 118 | 156.4 | 60.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 554 | S | 25.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | 44.9 | 166.1 | 125.6 | -81.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 555 | P | 51.5 | Low | 32.5 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | cis | -140.2 | 167.6 | -47.9 | 40.4 | -23.5 | 0 | 0 | 0 | 114.1 | ||||
| 556 | Q | 28.5 | Very low | 31.9 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 166 | 139.7 | 150.2 | -94.2 | 171.5 | -34.9 | 0 | 0 | 107.6 | ||||
| 557 | Q | 27.4 | Very low | 32 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | cis | 84.6 | 101 | 36 | -166.1 | -177.2 | 18.6 | 0 | 0 | 113 | ||||
| 558 | G | 26.7 | Very low | 32.1 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 173.1 | 99.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 559 | N | 26.8 | Very low | 33 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -121.6 | 173.2 | 159.6 | -134.4 | 20.1 | 0 | 0 | 0 | 104.9 | ||||
| 560 | P | 50.7 | Low | 33.6 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 57% | 0.565 | 77% | 0.773 | S | S | * | * | cis | -134.8 | -137.3 | -10.4 | 27 | 0.8 | 0 | 0 | 0 | 111.1 | ||||
| 561 | D | 27.9 | Very low | 34.1 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | 77.2 | 121.6 | 154.3 | -54.5 | -18 | 0 | 0 | 0 | 118.5 | ||||
| 562 | E | 29.8 | Very low | 34.1 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | 92.5 | 154.8 | 54.7 | -87.9 | -147.3 | 69.9 | 0 | 0 | 113.3 | |||||
| 563 | P | 46.1 | Very low | 34.2 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 56% | 0.558 | 78% | 0.78 | S | S | * | * | cis | -146 | -167 | -38 | 42.2 | -24.5 | 0 | 0 | 0 | 115.2 | ||||
| 564 | Q | 28.9 | Very low | 34 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 70.7 | 162.1 | 152.9 | -75.2 | -177.5 | 10.3 | 0 | 0 | 120.1 | ||||
| 565 | P | 41.1 | Very low | 35.3 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | cis | -137.8 | 177.6 | -38.7 | 38.9 | -22.6 | 0 | 0 | 0 | 114.7 | ||||
| 566 | L | 28.5 | Very low | 34.1 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 35.7 | 124.6 | 151.7 | -94.1 | 65.6 | 0 | 0 | 0 | 119.6 | ||||
| 567 | E | 30.3 | Very low | 34.2 | Very low | 182 Ų | 182 | 128.3 Ų | 128.3 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | cis | -160 | 165.5 | 47.2 | -68.4 | -168.8 | 113.8 | 0 | 0 | 113 | ||||
| 568 | T | 32.8 | Very low | 34.3 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -100.9 | -179 | 167.5 | 19.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 569 | P | 47.6 | Very low | 34.4 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | cis | -132.5 | -162.2 | -7.3 | 16.9 | 11.6 | 0 | 0 | 0 | 112.7 | ||||
| 570 | P | 42.2 | Very low | 34.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | -125.9 | -133 | -45.2 | 40 | -20.3 | 0 | 0 | 0 | 111.7 | ||||
| 571 | P | 43.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -120.3 | 165 | -138.2 | 28.6 | -3.2 | 0 | 0 | 0 | 117.3 | ||||
| 572 | G | 26.3 | Very low | 33.3 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -165.8 | 27.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 573 | Q | 27.8 | Very low | 33.2 | Very low | 212 Ų | 212 | 136.9 Ų | 136.9 | 99% | 0.991 | 79% | 0.785 | S | S | * | * | trans | 66 | 160.8 | 167.7 | -62.6 | -177.8 | -18.2 | 0 | 0 | 119.7 | ||||
| 574 | G | 24.3 | Very low | 32.3 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -163.2 | 169.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 575 | P | 51.4 | Low | 32.3 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | trans | -130.2 | 169.1 | -149.2 | 40.2 | -24.8 | 0 | 0 | 0 | 118.4 | ||||
| 576 | T | 27.7 | Very low | 31.7 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 53.9 | 120.2 | 153.9 | 49.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 577 | A | 29.1 | Very low | 31.9 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | 73.1 | 134.6 | 62.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 578 | S | 30.4 | Very low | 31.9 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | cis | -175.2 | 134.6 | -8.5 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 579 | V | 29.3 | Very low | 31.5 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -149.1 | 119.4 | 163.9 | 179.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 580 | W | 28 | Very low | 30.6 | Very low | 252 Ų | 252 | 137.2 Ų | 137.2 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | trans | 20.4 | 112.3 | 153.6 | -64.9 | 75.5 | 0 | 0 | 0 | 123.9 | ||||
| 581 | G | 26.1 | Very low | 30.1 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | 106.6 | 108 | 97.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 582 | R | 28.1 | Very low | 29.2 | Very low | 222 Ų | 222 | 137.6 Ų | 137.6 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | 177.8 | 133.4 | 118.8 | -101.3 | -170.4 | -75.4 | -161.1 | 2.5 | 114.1 | |||||
| 583 | Y | 26.8 | Very low | 29.9 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 48.6 | 112.3 | 165.9 | -53.5 | -62.7 | 0 | 0 | 0 | 119 | ||||
| 584 | S | 27.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | 74.3 | 124.7 | 67.9 | -80.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 585 | N | 27.7 | Very low | 30.3 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | cis | -147.5 | 139.2 | 3.4 | -60.9 | -62.1 | 0 | 0 | 0 | 111.7 | ||||
| 586 | L | 29.6 | Very low | 29.6 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -158 | 136.9 | 152.5 | -97.8 | -178.6 | 0 | 0 | 0 | 110.8 | ||||
| 587 | L | 32.3 | Very low | 29.8 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | 59.2 | 134.5 | 158.9 | -67.7 | 166.2 | 0 | 0 | 0 | 122.5 | ||||
| 588 | E | 30.2 | Very low | 29.9 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 65.1 | 126 | 142.3 | -67.8 | 177.9 | 170.2 | 0 | 0 | 123.3 | ||||
| 589 | S | 24.5 | Very low | 30.2 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -156.6 | 154.9 | 138.5 | 58.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 590 | S | 27.8 | Very low | 30.7 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | cis | -178.7 | 117.5 | -29 | -91.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 591 | V | 31.9 | Very low | 30.9 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 14.4 | 131.2 | 153.4 | -176.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 592 | S | 26.5 | Very low | 31 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -145.6 | 134.9 | 139.5 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 593 | V | 39.6 | Very low | 31.2 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -147.9 | 123.8 | 174.2 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 594 | P | 32.4 | Very low | 31.4 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -138.5 | 163.7 | 131 | 36.7 | -24.4 | 0 | 0 | 0 | 111.6 | ||||
| 595 | G | 28.7 | Very low | 31.6 | Very low | 54 Ų | 54 | 133.1 Ų | 133.1 | 56% | 0.557 | 81% | 0.807 | S | S | * | * | cis | 168.7 | 172.6 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 596 | T | 35.8 | Very low | 31.8 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | 68.4 | 151.2 | -171.2 | 78.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 597 | L | 32.9 | Very low | 31.8 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 71% | 0.707 | 80% | 0.803 | S | S | * | * | cis | -148.8 | 128.7 | 9.9 | -179.3 | 154.4 | 0 | 0 | 0 | 105.4 | E599 | L597-E599 HydrophobicContact CD2-CB 4.02Š| ||
| 598 | N | 31.2 | Very low | 31.6 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | cis | 67.1 | 69.4 | 38.8 | -161.5 | 80 | 0 | 0 | 0 | 116.4 | ||||
| 599 | E | 37.4 | Very low | 31.4 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -150.2 | 170.9 | 152.9 | -163 | 162.5 | -175.3 | 0 | 0 | 109.1 | L597 | L597-E599 HydrophobicContact CD2-CB 4.02Š| ||
| 600 | A | 38.2 | Very low | 31.7 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 68.1 | 38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 601 | A | 32.5 | Very low | 31.7 | Very low | 109 Ų | 109 | 129 Ų | 129 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -90.4 | 109.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 602 | G | 29.9 | Very low | 31.5 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -179.2 | 72.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 603 | M | 31.5 | Very low | 31.9 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 95% | 0.946 | 79% | 0.791 | S | S | * | * | trans | 170.7 | 127.9 | 135.4 | -94 | 168.1 | 68.2 | 0 | 0 | 109.5 | ||||
| 604 | E | 31.7 | Very low | 32 | Very low | 199 Ų | 199 | 131 Ų | 131 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -88.5 | 175.3 | 173.3 | -69.1 | -172.2 | 118.6 | 0 | 0 | 111.9 | ||||
| 605 | A | 31.5 | Very low | 32.1 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | -59 | 159.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 606 | F | 31.9 | Very low | 32.7 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | -169.6 | 149.4 | 114.3 | -99.8 | -63.7 | 0 | 0 | 0 | 113.7 | |||||
| 607 | S | 28.8 | Very low | 33.1 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | 60.8 | 103.2 | 146.7 | -56.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 608 | S | 27.7 | Very low | 33.6 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 30.6 | 129.1 | 124.2 | 63.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 609 | G | 25.8 | Very low | 34.4 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | 113.3 | 130.5 | 122.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 610 | H | 31 | Very low | 35 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | 53.9 | 106.9 | 146.7 | -66.2 | -79 | 0 | 0 | 0 | 121.8 | ||||
| 611 | S | 29.1 | Very low | 35.5 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 56.6 | 144.4 | 125.4 | 65.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 612 | S | 28.3 | Very low | 36 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | 96.5 | 166.2 | 149.7 | -144 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 613 | E | 33 | Very low | 36.7 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | trans | 50.7 | 96 | 175.8 | -80.8 | 104.9 | -89.2 | 0 | 0 | 119.7 | ||||
| 614 | L | 42.8 | Very low | 37.5 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | -22.8 | 131.5 | 130.1 | -63 | 156 | 0 | 0 | 0 | 113.7 | ||||
| 615 | Q | 35.1 | Very low | 38.1 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | -165.1 | 126.2 | 112.2 | -161.1 | 66.1 | -23 | 0 | 0 | 114.3 | |||||
| 616 | G | 39.8 | Very low | 38.6 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 68.7 | 91.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 617 | I | 44.4 | Very low | 39 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -140.8 | 127.7 | 133.2 | 20.6 | 173.6 | 0 | 0 | 0 | 111.6 | ||||
| 618 | S | 43.8 | Very low | 39.1 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | trans | -17.2 | 139.9 | 180 | 54.1 | 0 | 0 | 0 | 0 | 121.2 | R620 | S618-R620 PolarHBondContact O-N 2.74Š| ||
| 619 | E | 47.7 | Very low | 39.2 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 11.2 | 174.9 | -55.6 | 179 | 145.7 | 0 | 0 | 116.3 | ||
| 620 | R | 50.1 | Low | 39.3 | Very low | 218 Ų | 218 | 143.3 Ų | 143.3 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -19 | 178.1 | -73.2 | -174.7 | 172.6 | 133.7 | 2.6 | 114 | S618 | S618-R620 PolarHBondContact O-N 2.74Š|
| 621 | T | 48 | Very low | 39.4 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 56% | 0.564 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -89 | -14.6 | -175.6 | -44.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 622 | L | 44.5 | Very low | 39.9 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -82.8 | -23.5 | -178.8 | -78.1 | 172.8 | 0 | 0 | 0 | 114.5 | E624 L625 T626 | L622-E624 VanDerWaalsContact C-N 3.33Å; L622-E624 PolarHBondContact O-N 2.96Å; L622-L625 PolarHBondContact O-N 2.83Å; L622-T626 PolarHBondContact O-OG1 3.22Å |
| 623 | L | 43.8 | Very low | 40.2 | Very low | 141 Ų | 141 | 139 Ų | 139 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -22.9 | -178.4 | -83.4 | 164.2 | 0 | 0 | 0 | 113.8 | ||
| 624 | E | 48.3 | Very low | 40.1 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -17.4 | 179.9 | -61.1 | -167.7 | 141.7 | 0 | 0 | 113 | L622 | L622-E624 VanDerWaalsContact C-N 3.33Å; L622-E624 PolarHBondContact O-N 2.96Å |
| 625 | L | 45.4 | Very low | 39.7 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -88.3 | -12.8 | -178.5 | -67.1 | 175.9 | 0 | 0 | 0 | 114.1 | L622 | L622-L625 PolarHBondContact O-N 2.83Š|
| 626 | T | 42.1 | Very low | 39.8 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -89 | 1 | -179.2 | -26.2 | 0 | 0 | 0 | 0 | 114.3 | L622 | L622-T626 PolarHBondContact O-OG1 3.22Š|
| 627 | R | 40.1 | Very low | 40.2 | Very low | 245 Ų | 245 | 138.3 Ų | 138.3 | 93% | 0.925 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -117.8 | 41 | 171.8 | -82.6 | -172.1 | 168.8 | 178.9 | -2.2 | 113.4 | ||
| 628 | G | 30.2 | Very low | 39.9 | Very low | 50 Ų | 50 | 140.2 Ų | 140.2 | 52% | 0.515 | 74% | 0.74 | S | S | . | * | trans | -91.1 | 135.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 629 | K | 30.6 | Very low | 39.8 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | trans | 73.2 | 111 | 168.3 | -63.7 | 91.2 | 173.2 | -175.7 | 0 | 118.4 | ||||
| 630 | S | 26.4 | Very low | 39.8 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | -147.9 | 70.1 | 125.7 | -81.4 | 0 | 0 | 0 | 0 | 108.6 | S632 | S630-S632 PolarHBondContact O-N 3.13Å; S630-S632 VanDerWaalsContact O-N 3.14Å | |||
| 631 | S | 35 | Very low | 39.3 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -84.4 | 79.4 | -174.1 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | A633 | S631-A633 VanDerWaalsContact C-N 3.27Å; S631-A633 PolarHBondContact O-N 3.38Å | ||
| 632 | S | 37.9 | Very low | 39.4 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -73.4 | 76.4 | 172.5 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | S630 H634 | S630-S632 PolarHBondContact O-N 3.13Å; S630-S632 VanDerWaalsContact O-N 3.14Å; S632-H634 PolarHBondContact O-N 2.76Å | ||
| 633 | A | 35.4 | Very low | 39.6 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -74.7 | 111.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S631 | S631-A633 VanDerWaalsContact C-N 3.27Å; S631-A633 PolarHBondContact O-N 3.38Å | ||
| 634 | H | 31.1 | Very low | 39.6 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -63 | 141.9 | 172.5 | -63.7 | -81.3 | 0 | 0 | 0 | 110.8 | S632 R636 | S632-H634 PolarHBondContact O-N 2.76Å; H634-R636 PolarHBondContact O-N 3.42Å | ||
| 635 | P | 34 | Very low | 39.4 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -65 | 119.6 | 179.9 | 26.2 | -33.9 | 0 | 0 | 0 | 110.7 | A637 | P635-A637 PolarHBondContact O-N 3.39Š| ||
| 636 | R | 38.1 | Very low | 39.1 | Very low | 193 Ų | 193 | 139 Ų | 139 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | trans | -90.5 | 103.3 | -177 | -137.7 | 175.8 | 73.9 | -150.6 | 4.3 | 110 | H634 W638 | H634-R636 PolarHBondContact O-N 3.42Å; R636-W638 VanDerWaalsContact NH2-CZ2 3.33Å | ||
| 637 | A | 47.6 | Very low | 39 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | trans | -65.5 | 150 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | P635 | P635-A637 PolarHBondContact O-N 3.39Š| ||
| 638 | W | 38.8 | Very low | 39.1 | Very low | 209 Ų | 209 | 130.5 Ų | 130.5 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -119.6 | 130.6 | 173.1 | -65.5 | 77.6 | 0 | 0 | 0 | 108.8 | R636 | R636-W638 VanDerWaalsContact NH2-CZ2 3.33Š| ||
| 639 | F | 41.6 | Very low | 39.5 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -100.9 | 135.5 | 176.9 | -62.9 | -87.8 | 0 | 0 | 0 | 109.7 | ||||
| 640 | V | 47.6 | Very low | 40.2 | Very low | 128 Ų | 128 | 133 Ų | 133 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -130.3 | 121.5 | 173.2 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 641 | S | 39 | Very low | 40.6 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -89.6 | 132.9 | 172.1 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | D643 | S641-D643 VanDerWaalsContact C-N 3.32Å; S641-D643 PolarHBondContact O-N 3.18Å | ||
| 642 | L | 50.4 | Low | 40.8 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -80.3 | -8.7 | -173.7 | -66.8 | 171.5 | 0 | 0 | 0 | 114.3 | G644 | L642-G644 VanDerWaalsContact C-N 3.33Å; L642-G644 PolarHBondContact O-N 2.82Å |
| 643 | D | 49.3 | Very low | 40.8 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -87.7 | 16.2 | -168 | -58.7 | -33 | 0 | 0 | 0 | 115.6 | S641 K645 | S641-D643 VanDerWaalsContact C-N 3.32Å; S641-D643 PolarHBondContact O-N 3.18Å; D643-K645 PolarHBondContact O-N 3.27Å |
| 644 | G | 43.5 | Very low | 40.8 | Very low | 78 Ų | 78 | 143.6 Ų | 143.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 64.1 | 9.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | L642 | L642-G644 VanDerWaalsContact C-N 3.33Å; L642-G644 PolarHBondContact O-N 2.82Å | ||
| 645 | K | 43 | Very low | 41.2 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 138.7 | 176.1 | -68.2 | 178.9 | -177 | 175 | 0 | 111 | D643 A647 | D643-K645 PolarHBondContact O-N 3.27Å; K645-A647 PolarHBondContact O-N 3.19Å |
| 646 | P | 40.2 | Very low | 41 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.9 | 178.8 | 26.7 | -33.8 | 0 | 0 | 0 | 110.5 | ||
| 647 | A | 38.8 | Very low | 40.9 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 138.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | K645 | K645-A647 PolarHBondContact O-N 3.19Š|
| 648 | A | 43.7 | Very low | 40.1 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 142.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | V650 | A648-V650 PolarHBondContact O-N 3.11Š|
| 649 | Q | 38.3 | Very low | 39.7 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -65 | 102.5 | -170.4 | -170.6 | -178.7 | 27.4 | 0 | 0 | 112.5 | R651 | Q649-R651 PolarHBondContact O-N 3.49Š| ||
| 650 | V | 43.6 | Very low | 39.1 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | -68.5 | 115.1 | 176.4 | 179.6 | 0 | 0 | 0 | 0 | 110 | A648 H652 | A648-V650 PolarHBondContact O-N 3.11Å; V650-H652 PolarHBondContact O-N 2.95Å | ||
| 651 | R | 35.6 | Very low | 38.4 | Very low | 228 Ų | 228 | 141.3 Ų | 141.3 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -83.4 | 110.4 | 173.5 | -74.9 | -178.7 | 169 | -179.6 | -4.6 | 110.4 | Q649 S653 | Q649-R651 PolarHBondContact O-N 3.49Å; R651-S653 PolarHBondContact O-N 2.71Å | ||
| 652 | H | 39.9 | Very low | 38.2 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -79 | 110.7 | 169.4 | -64.8 | -79.6 | 0 | 0 | 0 | 110.6 | V650 I654 | V650-H652 PolarHBondContact O-N 2.95Å; H652-I654 PolarHBondContact O-N 2.7Å | ||
| 653 | S | 36.5 | Very low | 37.6 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -80.7 | 92.1 | 169.6 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | R651 I655 | R651-S653 PolarHBondContact O-N 2.71Å; S653-I655 PolarHBondContact O-N 3.25Å | ||
| 654 | I | 36.1 | Very low | 37.3 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -70.2 | 121.9 | 170.1 | -62.4 | 170.5 | 0 | 0 | 0 | 108.1 | H652 | H652-I654 PolarHBondContact O-N 2.7Š| ||
| 655 | I | 39.1 | Very low | 36.8 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -96.3 | 102.1 | 170.5 | -63 | 179.2 | 0 | 0 | 0 | 107.7 | S653 L657 | S653-I655 PolarHBondContact O-N 3.25Å; I655-L657 PolarHBondContact O-N 3.03Å | ||
| 656 | E | 30.4 | Very low | 36.3 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | trans | -84.6 | 106.4 | 178.7 | -168.5 | -173.2 | 145 | 0 | 0 | 110 | Q658 | E656-Q658 VanDerWaalsContact C-N 3.26Å; E656-Q658 HydrophobicContact CG-CG 4.06Å; E656-Q658 PolarHBondContact O-N 3.09Å; E656-Q658 WeakPolarHBondContact OE1-CG 3.37Å; E656-Q658 PolarHBondContact OE1-NE2 3.35Å | ||
| 657 | L | 35 | Very low | 36.2 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -76.1 | 75.4 | 175 | -79.5 | 168.9 | 0 | 0 | 0 | 111 | I655 S659 | I655-L657 PolarHBondContact O-N 3.03Å; L657-S659 PolarHBondContact O-N 2.87Å | ||
| 658 | Q | 32.4 | Very low | 36 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 49% | 0.491 | 77% | 0.77 | S | S | . | * | trans | -67.6 | 94.6 | 170.2 | -71.8 | -164.2 | 4.8 | 0 | 0 | 111 | E656 R660 | E656-Q658 VanDerWaalsContact C-N 3.26Å; E656-Q658 HydrophobicContact CG-CG 4.06Å; E656-Q658 PolarHBondContact O-N 3.09Å; E656-Q658 WeakPolarHBondContact OE1-CG 3.37Å; E656-Q658 PolarHBondContact OE1-NE2 3.35Å; Q658-R660 PolarHBondContact O-N 3.01Å; Q658-R660 VanDerWaalsContact OE1-NE 3.14Å | ||
| 659 | S | 29.3 | Very low | 35.5 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -59.7 | 127.8 | 158.6 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | L657 | L657-S659 PolarHBondContact O-N 2.87Š| ||
| 660 | R | 29.7 | Very low | 35.3 | Very low | 198 Ų | 198 | 145 Ų | 145 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | -128.8 | 120.6 | 170.9 | -71 | -170.7 | 179.6 | -108.6 | -2 | 110.1 | Q658 | Q658-R660 PolarHBondContact O-N 3.01Å; Q658-R660 VanDerWaalsContact OE1-NE 3.14Å | ||
| 661 | H | 32.7 | Very low | 34.9 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | -61.3 | 154.9 | 172.8 | -70.9 | -93.8 | 0 | 0 | 0 | 111.8 | ||||
| 662 | R | 34.2 | Very low | 34.8 | Very low | 240 Ų | 240 | 144.8 Ų | 144.8 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -125.7 | 135.6 | 172.7 | -157.9 | 175.3 | -161.5 | 155.9 | 3.9 | 109.3 | ||||
| 663 | P | 39.1 | Very low | 34.7 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 167.3 | 179.6 | 32.9 | -35.6 | 0 | 0 | 0 | 112.8 | ||||
| 664 | P | 42.5 | Very low | 34.5 | Very low | 129 Ų | 129 | 141 Ų | 141 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -98.6 | 156.4 | -167.5 | 37.7 | -35.7 | 0 | 0 | 0 | 115.3 | ||||
| 665 | S | 32.1 | Very low | 34.6 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -159.7 | 121.9 | 163.2 | 58.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 666 | S | 34 | Very low | 34.5 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 29.3 | 143.4 | 147 | 54.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 667 | N | 37.9 | Very low | 35.3 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -52.4 | 158.4 | 168.6 | -46.7 | -16.4 | 0 | 0 | 0 | 115.1 | ||||
| 668 | D | 33.2 | Very low | 35.2 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | -166.5 | -168.2 | 108.2 | -99.5 | -16.9 | 0 | 0 | 0 | 112.9 | |||||
| 669 | T | 32.9 | Very low | 35.3 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -109.7 | -177.1 | -146.1 | 55.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 670 | S | 36.1 | Very low | 36.3 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 75.7 | 135.2 | 178.1 | 68.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 671 | L | 35.2 | Very low | 36.4 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | cis | 76.7 | 106.5 | 32.6 | -61.7 | 179.5 | 0 | 0 | 0 | 115.6 | ||||
| 672 | D | 31.4 | Very low | 36.5 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | -165.4 | -169.6 | 117.5 | -151.9 | -18.7 | 0 | 0 | 0 | 110.1 | |||||
| 673 | S | 39.3 | Very low | 36.3 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -122.6 | 171 | -159.3 | 57 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 674 | G | 31.9 | Very low | 36.2 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 165.1 | 95.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 675 | V | 37.5 | Very low | 35.9 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -112.1 | 133.2 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 676 | D | 38.4 | Very low | 36 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -146.8 | 153.2 | 160.8 | -163.8 | 8.8 | 0 | 0 | 0 | 109.8 | ||||
| 677 | M | 46.9 | Very low | 36 | Very low | 147 Ų | 147 | 139 Ų | 139 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -151.6 | 123.8 | -169.4 | -91.8 | -76.2 | -71.6 | 0 | 0 | 110.8 | ||||
| 678 | N | 32.2 | Very low | 35.6 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -162.5 | 106.8 | 155.4 | -97.4 | -42.4 | 0 | 0 | 0 | 112.6 | ||||
| 679 | E | 35.7 | Very low | 35.7 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | 31.3 | 155.3 | 105.2 | -84.8 | -155.5 | -171.4 | 0 | 0 | 121.6 | |||||
| 680 | P | 49.8 | Very low | 35.5 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 58% | 0.584 | 74% | 0.738 | S | S | * | * | cis | -142.6 | -157.6 | -47 | 31.4 | -7.8 | 0 | 0 | 0 | 112.9 | ||||
| 681 | L | 32.3 | Very low | 35.3 | Very low | 131 Ų | 131 | 145 Ų | 145 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | 105.2 | 109.8 | 150.6 | -58.4 | 159.2 | 0 | 0 | 0 | 120.8 | ||||
| 682 | Q | 34.1 | Very low | 35.6 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | 70.7 | 154.3 | 124.8 | -67.4 | -164.8 | 29 | 0 | 0 | 122 | |||||
| 683 | N | 30.6 | Very low | 35.3 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | cis | -170.9 | 173.1 | -30.9 | -153.9 | -7.9 | 0 | 0 | 0 | 110.1 | ||||
| 684 | I | 36.6 | Very low | 34.9 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | 71.7 | 110 | 147.1 | -78.3 | 159.2 | 0 | 0 | 0 | 120.7 | ||||
| 685 | R | 36.2 | Very low | 34.6 | Very low | 205 Ų | 205 | 150.6 Ų | 150.6 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | 59.8 | 162.9 | 121.3 | -60.1 | -170.6 | 144.4 | 151.9 | 3.2 | 122.5 | |||||
| 686 | D | 33 | Very low | 34.2 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | cis | -169.1 | 149.4 | -23.9 | -91.3 | -20.4 | 0 | 0 | 0 | 108.2 | ||||
| 687 | M | 34.6 | Very low | 33.7 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | 62.5 | 169.7 | 150.8 | -104.7 | 155.8 | 58.2 | 0 | 0 | 119.3 | ||||
| 688 | E | 30.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 52% | 0.523 | 73% | 0.734 | S | S | . | * | cis | -160.1 | 145.8 | -9.7 | -156.7 | 168.8 | -149.8 | 0 | 0 | 112.2 | ||||
| 689 | R | 34.5 | Very low | 33 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | trans | 56.5 | 165.4 | 161.6 | -82 | 179.4 | -146.1 | 97.4 | 21.9 | 118.7 | ||||
| 690 | D | 29.2 | Very low | 32.7 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | cis | -145.7 | -174.3 | 4.6 | -137 | -44.2 | 0 | 0 | 0 | 114.4 | ||||
| 691 | R | 31.6 | Very low | 31.6 | Very low | 227 Ų | 227 | 146.7 Ų | 146.7 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | -85.4 | -175.9 | -176.6 | -89 | 176.3 | 173.2 | 174.3 | -0.9 | 115.1 | ||||
| 692 | P | 40.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | cis | -135.8 | -179.9 | -14.5 | 27.8 | -5.1 | 0 | 0 | 0 | 116.7 | ||||
| 693 | S | 25.1 | Very low | 31.4 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 121.7 | 159.9 | 133.7 | -153.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 694 | M | 31.3 | Very low | 31.3 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | 71.2 | 102.9 | 171.7 | -65.9 | -62.4 | 173.5 | 0 | 0 | 121.5 | ||||
| 695 | R | 26.5 | Very low | 31 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | 21.1 | 108.8 | 133.4 | -176.9 | -170.4 | -79.5 | -157.6 | -3.7 | 117.7 | ||||
| 696 | G | 27.9 | Very low | 30.8 | Very low | 80 Ų | 80 | 142.1 Ų | 142.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -162.3 | 147.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 697 | S | 28.9 | Very low | 30.7 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -92.4 | 158.9 | -169.1 | 54 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 698 | S | 30.2 | Very low | 30.2 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 62.9 | 110.4 | 146.3 | 57.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 699 | L | 33.2 | Very low | 30.3 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | 33.7 | 128.8 | 146.1 | -73.6 | 87.5 | 0 | 0 | 0 | 121.4 | ||||
| 700 | P | 29.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 165.8 | 164 | 36.2 | -35.3 | 0 | 0 | 0 | 113 | ||
| 701 | H | 28.3 | Very low | 30.2 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 169.9 | 171.7 | -118.6 | 50.9 | 0 | 0 | 0 | 112.6 | ||
| 702 | H | 30.3 | Very low | 30.2 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 158.1 | 168.7 | -53.8 | -87 | 0 | 0 | 0 | 112 | ||
| 703 | G | 30.6 | Very low | 29.8 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | cis | 112.1 | 88.2 | 11 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 704 | R | 29.6 | Very low | 29.9 | Very low | 253 Ų | 253 | 145.9 Ų | 145.9 | 96% | 0.955 | 78% | 0.782 | S | S | * | * | trans | -165 | 141.5 | 175.1 | 178.7 | -174.5 | -92.1 | -117.8 | 4.5 | 108.7 | ||||
| 705 | G | 29.5 | Very low | 29.8 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | cis | 150.4 | 108.2 | -12.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 706 | G | 31.3 | Very low | 29.9 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 84.2 | 163.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 707 | R | 31.2 | Very low | 30.1 | Very low | 204 Ų | 204 | 138 Ų | 138 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | cis | -164.8 | 147.7 | -4.6 | -107.6 | -166.1 | -174.7 | -118 | 5.4 | 110.2 | ||||
| 708 | Y | 25.1 | Very low | 30.5 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | 70.1 | 137 | 150.1 | -80.6 | -119.7 | 0 | 0 | 0 | 117.5 | ||||
| 709 | V | 32.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | cis | 87.5 | 131.3 | 44.7 | 163.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 710 | E | 30.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 138 Ų | 138 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | -153.6 | -168.5 | 19.5 | -144.9 | 158.1 | 154.6 | 0 | 0 | 114.6 | ||||
| 711 | E | 31.2 | Very low | 30.7 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | 82.1 | 146.4 | 145 | -81.8 | 173.2 | 156.5 | 0 | 0 | 121.6 | ||||
| 712 | Q | 32.7 | Very low | 31 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -155.2 | 155.8 | -3.3 | -153 | 132.6 | 39.1 | 0 | 0 | 115.6 | ||||
| 713 | D | 30.8 | Very low | 31 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | trans | 16.3 | 152 | 151.1 | -57.8 | -5 | 0 | 0 | 0 | 126.5 | ||||
| 714 | L | 27.9 | Very low | 30.9 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 95% | 0.948 | 77% | 0.767 | S | S | * | * | -140.1 | 164.1 | 122.8 | -85.7 | -170.9 | 0 | 0 | 0 | 111.4 | |||||
| 715 | S | 29.2 | Very low | 30.8 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -144.2 | 152.2 | -155.4 | 177.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 716 | S | 29.3 | Very low | 31 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 177.6 | 133.3 | 154.8 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 717 | S | 31.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | cis | 78.8 | 118.7 | 47.7 | -55.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 718 | E | 36.9 | Very low | 32.1 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | -159 | 165 | 78.5 | 179 | 167 | 88.3 | 0 | 0 | 115.1 | |||||
| 719 | S | 32.4 | Very low | 32.6 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -38.5 | 158.9 | 175.4 | -49.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 720 | G | 33.3 | Very low | 33.3 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | cis | 179.6 | -152.1 | 5.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 721 | T | 32.4 | Very low | 33.3 | Very low | 121 Ų | 121 | 129 Ų | 129 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | cis | -160.8 | 164 | 1.9 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 722 | T | 33.3 | Very low | 33.5 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 32.1 | 137.8 | 154.1 | 57.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 723 | A | 30 | Very low | 33.7 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | cis | -153.8 | 147.5 | 14.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 724 | T | 30.5 | Very low | 33.7 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | 10.8 | 143.9 | 132.6 | 1.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 725 | C | 26.7 | Very low | 33.9 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | cis | -145.2 | -178.7 | 37.7 | -76.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 726 | T | 32.7 | Very low | 34.2 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -93.7 | 170.3 | -167.5 | 39.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 727 | P | 57.8 | Low | 34.3 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -106.5 | 157.6 | -173.9 | 39.9 | -33.3 | 0 | 0 | 0 | 115.5 | ||||
| 728 | E | 29.6 | Very low | 34.2 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -150.2 | 156.6 | 160.2 | -72.3 | -161.7 | 161.9 | 0 | 0 | 112.3 | ||||
| 729 | D | 35.6 | Very low | 33.8 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -147.4 | 126.8 | 164.3 | 168.3 | 33.2 | 0 | 0 | 0 | 106.7 | ||||
| 730 | P | 45.4 | Very low | 34 | Very low | 100 Ų | 100 | 132 Ų | 132 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | -154.9 | 156.1 | 124.9 | 37.5 | -19.7 | 0 | 0 | 0 | 118.3 | |||||
| 731 | S | 29.7 | Very low | 34.1 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 95.3 | 169.2 | 137.8 | 81.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 732 | L | 35.3 | Very low | 34 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -114.7 | 151.6 | -152.7 | -62 | 161.6 | 0 | 0 | 0 | 113.3 | ||||
| 733 | R | 37.1 | Very low | 34.1 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | 158.5 | 146.3 | 115 | -89.8 | -177.5 | -174 | -89.6 | 7.1 | 115.2 | |||||
| 734 | N | 31.3 | Very low | 35 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | trans | 69 | 144.2 | 139 | -71.2 | 19 | 0 | 0 | 0 | 119.2 | ||||
| 735 | I | 31.7 | Very low | 34.8 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | cis | -138.8 | 155.5 | 2.3 | -63.3 | -166.9 | 0 | 0 | 0 | 111.7 | ||||
| 736 | L | 36.9 | Very low | 35.4 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -28 | 155.4 | 164.3 | -53.6 | 160.5 | 0 | 0 | 0 | 119.8 | ||||
| 737 | D | 29.8 | Very low | 35.9 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | -160.8 | 152.9 | 105.2 | -142.8 | -12.9 | 0 | 0 | 0 | 115.1 | |||||
| 738 | G | 29.4 | Very low | 34.7 | Very low | 69 Ų | 69 | 138.5 Ų | 138.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 43.5 | 144 | 160 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 739 | S | 28.2 | Very low | 34.8 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | -163.4 | 174.7 | -2.2 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 740 | S | 38.3 | Very low | 34.6 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -156.9 | 152.5 | 178.4 | -75.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 741 | G | 33.7 | Very low | 33.9 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 153 | 153.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 742 | A | 30.8 | Very low | 34 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | cis | -157.1 | 169 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 743 | I | 36.2 | Very low | 33.9 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -108.9 | 156.2 | 174.3 | -54.9 | 167.9 | 0 | 0 | 0 | 108.6 | ||||
| 744 | P | 47.6 | Very low | 33.5 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | trans | -138.6 | 135.9 | 141.3 | 34 | -19 | 0 | 0 | 0 | 116.7 | ||||
| 745 | N | 27.3 | Very low | 33.6 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | 83.2 | 153.9 | 146 | -60.3 | -17.2 | 0 | 0 | 0 | 122.6 | ||||
| 746 | I | 38.8 | Very low | 33.7 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | -148.1 | 139.6 | -165.4 | -81.2 | 168.2 | 0 | 0 | 0 | 105.5 | ||||
| 747 | P | 42.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -146 | 129.8 | 102.8 | 33.5 | -14.3 | 0 | 0 | 0 | 116.6 | |||||
| 748 | E | 34 | Very low | 33.7 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | 28.7 | 121.6 | 118.8 | -167.6 | 168.8 | -139.6 | 0 | 0 | 120.7 | |||||
| 749 | E | 31 | Very low | 33.7 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -151.3 | 177.9 | 141.4 | -143.9 | 168.5 | -143.3 | 0 | 0 | 110.4 | ||||
| 750 | R | 32.6 | Very low | 34 | Very low | 198 Ų | 198 | 133.1 Ų | 133.1 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -145.5 | 165.1 | -147.5 | -134 | -173.6 | -166.2 | -131.3 | 15.4 | 115.3 | ||||
| 751 | D | 30.4 | Very low | 33.7 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 66.6 | 158.9 | 156.7 | -58 | -27.8 | 0 | 0 | 0 | 119.9 | ||||
| 752 | G | 30.2 | Very low | 33.7 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 95 | 91.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 753 | M | 34 | Very low | 33.9 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | cis | 86.7 | 122.2 | 30.5 | -159.2 | 69.6 | -178.6 | 0 | 0 | 114.6 | ||||
| 754 | D | 29.6 | Very low | 33.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | trans | 63.8 | 153.8 | 165 | -65.8 | -21.9 | 0 | 0 | 0 | 119.3 | ||||
| 755 | T | 33.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | cis | -154.8 | 176.1 | -11 | 14.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 756 | S | 33.9 | Very low | 33.1 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -19.3 | 162.9 | 153.1 | -33.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 757 | S | 32.5 | Very low | 32.8 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -171.2 | -179.5 | 28.1 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 758 | A | 33.1 | Very low | 32.9 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 16.1 | 155.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 759 | Q | 30.6 | Very low | 33.8 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | cis | -177 | 154.9 | -7.4 | 164.7 | 174.6 | -30.7 | 0 | 0 | 109.5 | ||||
| 760 | E | 33.5 | Very low | 34.4 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | 49.3 | 124.3 | 160.6 | -73.1 | 159.6 | 176.8 | 0 | 0 | 124 | ||||
| 761 | D | 32.2 | Very low | 34.5 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 57.9 | 142.1 | 127.2 | -63.5 | 1.5 | 0 | 0 | 0 | 126 | |||||
| 762 | S | 33.4 | Very low | 34.6 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 117.7 | 112 | 149.6 | -51.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 763 | E | 34.5 | Very low | 34.6 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | 29.8 | 143.8 | 137.5 | -67.6 | -157.8 | 105.5 | 0 | 0 | 122.7 | ||||
| 764 | S | 31.8 | Very low | 34.6 | Very low | 92 Ų | 92 | 143 Ų | 143 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | cis | -171 | 176.3 | 1.9 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 765 | K | 31.5 | Very low | 34.7 | Very low | 210 Ų | 210 | 145.6 Ų | 145.6 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | 111.4 | 137.5 | 163.3 | -64.6 | 170.9 | 178.8 | 170.7 | 0 | 116.7 | ||||
| 766 | G | 31.4 | Very low | 34.6 | Very low | 79 Ų | 79 | 146.7 Ų | 146.7 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 137.6 | 64.3 | 161 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 767 | T | 33.3 | Very low | 34.4 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -77.4 | 171.4 | 165.7 | 31.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 768 | P | 44.1 | Very low | 34.5 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | cis | -133.9 | -178.8 | -44.3 | 39.3 | -22.6 | 0 | 0 | 0 | 112.4 | ||||
| 769 | P | 53.3 | Low | 34.6 | Very low | 122 Ų | 122 | 163.2 Ų | 163.2 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -100.3 | 156.8 | -177.4 | 37.6 | -35 | 0 | 0 | 0 | 115.8 | ||||
| 770 | P | 42.9 | Very low | 34.7 | Very low | 130 Ų | 130 | 159.2 Ų | 159.2 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | trans | -113.5 | 165.6 | 168.9 | 38.4 | -30.2 | 0 | 0 | 0 | 115.3 | ||||
| 771 | R | 34.8 | Very low | 34.7 | Very low | 237 Ų | 237 | 162.8 Ų | 162.8 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -127.1 | 149.5 | -177.8 | -105.3 | 175.3 | 166.7 | 164.7 | -4.3 | 112.2 | ||||
| 772 | R | 32.5 | Very low | 34.8 | Very low | 221 Ų | 221 | 160.7 Ų | 160.7 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | 72.6 | 120.7 | 152.2 | -76.1 | -179 | 160.8 | -172.2 | -5 | 122.3 | ||||
| 773 | L | 31.4 | Very low | 34.9 | Very low | 144 Ų | 144 | 162.3 Ų | 162.3 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | 57.2 | 128.8 | 125.5 | -64.2 | 164.6 | 0 | 0 | 0 | 122.3 | |||||
| 774 | R | 32.6 | Very low | 34.9 | Very low | 228 Ų | 228 | 161.2 Ų | 161.2 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | 174.8 | 152.6 | 105 | -97.8 | 171.6 | 177.5 | 142.9 | -2 | 116.1 | |||||
| 775 | K | 33.1 | Very low | 35.1 | Very low | 179 Ų | 179 | 167.5 Ų | 167.5 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | trans | 53.9 | 121.7 | 148.7 | -71.3 | -174.2 | 174.1 | -174.4 | 0 | 119.6 | ||||
| 776 | V | 31.2 | Very low | 35.1 | Very low | 141 Ų | 141 | 163.2 Ų | 163.2 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | 71.2 | 113.1 | 71.9 | 172.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 777 | R | 28.6 | Very low | 35.4 | Very low | 236 Ų | 236 | 164.2 Ų | 164.2 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | -165.4 | 148.5 | 127.3 | -163.9 | 160.2 | -174.4 | 165.9 | 2.7 | 114.5 | |||||
| 778 | E | 35.5 | Very low | 35.6 | Very low | 162 Ų | 162 | 166.3 Ų | 166.3 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | -74 | 147.5 | -179.2 | 155.7 | -159.5 | -129.5 | 0 | 0 | 117.5 | ||||
| 779 | R | 34.3 | Very low | 35.1 | Very low | 254 Ų | 254 | 169.6 Ų | 169.6 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -159.7 | 152.5 | 147.1 | -73.1 | -165.6 | 179.4 | -140.9 | 2.3 | 108.6 | ||||
| 780 | G | 32.4 | Very low | 34.5 | Very low | 66 Ų | 66 | 169.9 Ų | 169.9 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | cis | 154 | 111.6 | -16.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 781 | K | 34.3 | Very low | 34.2 | Very low | 222 Ų | 222 | 175.4 Ų | 175.4 | 97% | 0.965 | 81% | 0.805 | S | S | * | * | trans | 70.4 | 158.2 | 175 | -48.2 | -177 | -179.7 | -176.5 | 0 | 114.3 | ||||
| 782 | A | 34.7 | Very low | 34.5 | Very low | 100 Ų | 100 | 173.3 Ų | 173.3 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | cis | -162.1 | 172.6 | 7.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 783 | E | 33.8 | Very low | 34.4 | Very low | 149 Ų | 149 | 166.6 Ų | 166.6 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | cis | -171.1 | 173.1 | -20.8 | -168.3 | -136.9 | 135.4 | 0 | 0 | 107.9 | ||||
| 784 | K | 34.8 | Very low | 34.9 | Very low | 163 Ų | 163 | 170.1 Ų | 170.1 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | trans | 78.5 | 123.4 | 167.4 | -59 | 178.1 | -176.6 | 170.3 | 0 | 117.7 | ||||
| 785 | R | 37.2 | Very low | 35.8 | Very low | 224 Ų | 224 | 165.4 Ų | 165.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | 75.9 | 135.3 | 63 | -94.2 | -169.9 | 167.9 | -179.4 | -1.3 | 113.4 | |||||
| 786 | N | 31.6 | Very low | 36.5 | Very low | 120 Ų | 120 | 163 Ų | 163 | 64% | 0.642 | 80% | 0.802 | S | S | * | * | cis | -162.7 | 140.9 | -3.2 | -149 | 27.1 | 0 | 0 | 0 | 114.1 | ||||
| 787 | T | 36.9 | Very low | 37.2 | Very low | 101 Ų | 101 | 161.8 Ų | 161.8 | 62% | 0.62 | 80% | 0.795 | S | S | * | * | trans | 39.4 | 139.5 | 145 | 55.1 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 788 | K | 38.2 | Very low | 37.8 | Very low | 183 Ų | 183 | 159.4 Ų | 159.4 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 78 | 126.1 | 139.9 | -76.1 | 170.3 | 178.8 | -176.9 | 0 | 120.8 | ||||
| 789 | H | 34 | Very low | 38.3 | Very low | 180 Ų | 180 | 162.8 Ų | 162.8 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | -159.4 | 170.7 | 95.7 | -120 | -90.3 | 0 | 0 | 0 | 113.6 | |||||
| 790 | V | 40.2 | Very low | 39 | Very low | 128 Ų | 128 | 159.3 Ų | 159.3 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -129 | 142.4 | -177 | 169.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 791 | R | 35.8 | Very low | 39.3 | Very low | 246 Ų | 246 | 164 Ų | 164 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -157.2 | 151.6 | 151.5 | -154.8 | 165.5 | -174.7 | 123.7 | 2.9 | 112 | ||||
| 792 | E | 40.5 | Very low | 39.6 | Very low | 193 Ų | 193 | 160.9 Ų | 160.9 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -95.9 | 166 | -176.9 | -57.9 | 174 | 104.2 | 0 | 0 | 113.7 | ||||
| 793 | G | 30.8 | Very low | 39.9 | Very low | 80 Ų | 80 | 164.3 Ų | 164.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -175.5 | 105.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 794 | R | 43.1 | Very low | 40.2 | Very low | 218 Ų | 218 | 165.2 Ų | 165.2 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | trans | -103.3 | 158.3 | 168.5 | -95.8 | -171.9 | -179.2 | 168.8 | 0.7 | 110.6 | ||||
| 795 | P | 50.3 | Low | 40.6 | Very low | 128 Ų | 128 | 165.3 Ų | 165.3 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | -111.5 | 173.4 | 129.9 | 33.7 | -31.7 | 0 | 0 | 0 | 112.3 | |||||
| 796 | L | 48.2 | Very low | 40.8 | Very low | 129 Ų | 129 | 161.4 Ų | 161.4 | 68% | 0.675 | 82% | 0.821 | S | S | * | * | trans | -158.5 | -177.2 | -169.6 | -128.9 | 172.6 | 0 | 0 | 0 | 110.6 | ||||
| 797 | T | 45.4 | Very low | 41.5 | Very low | 116 Ų | 116 | 164.4 Ų | 164.4 | 71% | 0.712 | 83% | 0.834 | S | S | * | * | trans | 78.7 | 146.3 | 179 | 74.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 798 | K | 42.6 | Very low | 41.8 | Very low | 185 Ų | 185 | 169.2 Ų | 169.2 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | cis | -154.8 | 129.6 | -14.5 | -109.8 | 164.1 | -175.7 | 178.5 | 0 | 104.9 | ||||
| 799 | R | 45 | Very low | 42.1 | Very low | 233 Ų | 233 | 168.1 Ų | 168.1 | 88% | 0.879 | 86% | 0.855 | S | S | * | * | 50.3 | 111.5 | 79 | -155 | -168.2 | -159.5 | -173.4 | 9.5 | 114.5 | |||||
| 800 | S | 49.3 | Very low | 42.8 | Very low | 181 Ų | 181 | 167 Ų | 167 | 100% | 1.266 | 86% | 0.856 | S | S | * | * | -120 | 0 | 112.5 | -170 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 800 of 800 residues in 170.2 ms
(Link to these results)