| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.1 | Very low | 37.9 | Very low | 215 Ų | 215 | 150.5 Ų | 150.5 | 100% | 1.059 | 82% | 0.815 | S | S | * | * | 0 | 74.7 | 0 | -56.5 | -163.9 | -78.7 | 0 | 0 | 108.6 | |||||
| 2 | E | 39.2 | Very low | 38 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | cis | 65.7 | 136 | 45 | -59.4 | 162.4 | 109.1 | 0 | 0 | 112.8 | ||||
| 3 | Q | 42.5 | Very low | 38.7 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 73% | 0.729 | 82% | 0.819 | S | S | * | * | cis | -145.5 | 126.7 | -11.5 | -98.2 | 158.4 | 47.1 | 0 | 0 | 105.2 | ||||
| 4 | L | 44.5 | Very low | 38.5 | Very low | 156 Ų | 156 | 145 Ų | 145 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | 65.8 | 124.8 | 88.1 | -93.6 | 178.4 | 0 | 0 | 0 | 117.4 | |||||
| 5 | T | 36 | Very low | 38.2 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 69% | 0.693 | 82% | 0.82 | S | S | * | * | trans | 89.8 | 121 | 146 | 11 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 6 | T | 31.3 | Very low | 37.8 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | 71.9 | 132.1 | 137.8 | 35 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 7 | L | 37.2 | Very low | 37.7 | Very low | 163 Ų | 163 | 146 Ų | 146 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -70.7 | 159.6 | 152.2 | -65.9 | 161.2 | 0 | 0 | 0 | 110.9 | ||||
| 8 | P | 40.5 | Very low | 37.8 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | -144.4 | 173.5 | 99.2 | 39.3 | -25.9 | 0 | 0 | 0 | 115.1 | |||||
| 9 | R | 37.1 | Very low | 37.8 | Very low | 243 Ų | 243 | 150.7 Ų | 150.7 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -111.5 | 130.9 | 169.7 | 179.1 | -169.9 | -177.5 | -163.7 | 1.5 | 109.5 | ||||
| 10 | P | 41.5 | Very low | 37.4 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | trans | -145.8 | 170.9 | 136.4 | 38.4 | -24.1 | 0 | 0 | 0 | 114.2 | ||||
| 11 | G | 30.4 | Very low | 37.5 | Very low | 73 Ų | 73 | 146.8 Ų | 146.8 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 114.6 | 118.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 12 | D | 38.6 | Very low | 37.7 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -82.8 | 145.5 | 155 | -77.3 | -58.3 | 0 | 0 | 0 | 110.3 | ||||
| 13 | P | 46.8 | Very low | 37.6 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -116.9 | 82.8 | 163.4 | 36 | -24.6 | 0 | 0 | 0 | 111.5 | A15 | P13-A15 VanDerWaalsContact C-N 3.31Å; P13-A15 PolarHBondContact O-N 3.13Å; P13-A15 VanDerWaalsContact O-N 3.07Å | ||
| 14 | G | 35.8 | Very low | 37 | Very low | 86 Ų | 86 | 143.3 Ų | 143.3 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -79.9 | 67.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 15 | A | 34.8 | Very low | 36.3 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -165.7 | 110.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P13 | P13-A15 VanDerWaalsContact C-N 3.31Å; P13-A15 PolarHBondContact O-N 3.13Å; P13-A15 VanDerWaalsContact O-N 3.07Å | ||
| 16 | M | 31.7 | Very low | 35.8 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 95% | 0.946 | 80% | 0.804 | S | S | * | * | trans | -154.9 | 141.1 | 152.9 | -166.3 | 162.2 | -76.9 | 0 | 0 | 109.7 | ||||
| 17 | E | 36.7 | Very low | 35.5 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 148.3 | -165.1 | -60.2 | -174.9 | 125.9 | 0 | 0 | 114.7 | ||
| 18 | P | 39.6 | Very low | 35.7 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 123.6 | 165.1 | 32.1 | -31.5 | 0 | 0 | 0 | 111 | ||
| 19 | W | 36.2 | Very low | 36.1 | Very low | 258 Ų | 258 | 146.6 Ų | 146.6 | 98% | 0.977 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66 | 146.7 | 172.7 | -82.9 | 57.3 | 0 | 0 | 0 | 111.9 | ||
| 20 | A | 31.2 | Very low | 35.6 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 132.1 | -159.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 21 | L | 39.8 | Very low | 35.3 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | 61.5 | 154.9 | 135.4 | -58.8 | 167.7 | 0 | 0 | 0 | 118.6 | T23 | L21-T23 HydrophobicContact CD1-CG2 3.96Å; L21-T23 HydrophobicContact CD2-CG2 3.9Å; L21-T23 HydrophobicContact CG-CG2 4.37Å | ||
| 22 | P | 40.4 | Very low | 35.2 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | -117.7 | 153.1 | 77.6 | -5.2 | 26.5 | 0 | 0 | 0 | 115.3 | |||||
| 23 | T | 36.6 | Very low | 34.6 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 52% | 0.521 | 81% | 0.806 | S | S | . | * | trans | -92.2 | 149.4 | 176.9 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | L21 | L21-T23 HydrophobicContact CD1-CG2 3.96Å; L21-T23 HydrophobicContact CD2-CG2 3.9Å; L21-T23 HydrophobicContact CG-CG2 4.37Å | ||
| 24 | W | 30 | Very low | 34.1 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -133.1 | 96.8 | 149.7 | -89.3 | 80.1 | 0 | 0 | 0 | 111.5 | ||||
| 25 | H | 30.1 | Very low | 34.6 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 63% | 0.634 | 80% | 0.804 | S | S | * | * | trans | 21.6 | 122.1 | 155.6 | -49.2 | -67.5 | 0 | 0 | 0 | 121.7 | ||||
| 26 | S | 25.9 | Very low | 34.2 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -113.9 | 142.8 | 140.1 | 58.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 27 | W | 25.4 | Very low | 34.3 | Very low | 244 Ų | 244 | 142.5 Ų | 142.5 | 92% | 0.924 | 80% | 0.798 | S | S | * | * | trans | -111.7 | 143.2 | 173.2 | -100.7 | 34.6 | 0 | 0 | 0 | 110.2 | ||||
| 28 | T | 40.8 | Very low | 33.9 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -127.9 | 155.6 | 168.6 | 57.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 29 | P | 48.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | -145 | 172.9 | 105.9 | 36.6 | -21.2 | 0 | 0 | 0 | 112.6 | |||||
| 30 | G | 26.9 | Very low | 33.8 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | cis | -162.8 | 141.9 | -6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 31 | R | 34.4 | Very low | 33.7 | Very low | 253 Ų | 253 | 133.2 Ų | 133.2 | 96% | 0.955 | 80% | 0.798 | S | S | * | * | 59.8 | 116.7 | 93.5 | -176.1 | 179.9 | -75.1 | -88.2 | 3.8 | 115.7 | |||||
| 32 | G | 28.1 | Very low | 33.3 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 114.7 | 120.4 | 160 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 33 | G | 27.8 | Very low | 32.7 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | cis | -173.7 | 153.2 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 34 | E | 36 | Very low | 32.4 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -86.7 | 164.6 | 166.3 | -106.3 | -170.1 | -176.5 | 0 | 0 | 109.9 | ||||
| 35 | P | 45 | Very low | 32.4 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -147.1 | -176.8 | 39 | 43 | -23.2 | 0 | 0 | 0 | 118.3 | ||||
| 36 | S | 27.5 | Very low | 33.3 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | 116.2 | 144.9 | 138.5 | -153.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 37 | S | 33.3 | Very low | 34.5 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -99.4 | 127.7 | -173.8 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 38 | A | 28 | Very low | 34.6 | Very low | 106 Ų | 106 | 121 Ų | 121 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | -154.7 | 133.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 39 | A | 32 | Very low | 34 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -118.7 | 148.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 40 | P | 42 | Very low | 33.2 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | -136.9 | -177.3 | 57.5 | 39.1 | -22.2 | 0 | 0 | 0 | 114.9 | |||||
| 41 | S | 28.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -114.9 | 144.5 | 167.5 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 42 | I | 32.3 | Very low | 32.9 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 77% | 0.774 | 81% | 0.808 | S | S | * | * | trans | -130.8 | 162.1 | 178.5 | -67.4 | -179.8 | 0 | 0 | 0 | 108.6 | ||||
| 43 | A | 28.3 | Very low | 32.8 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 63% | 0.628 | 80% | 0.803 | S | S | * | * | trans | -45.5 | 166.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 44 | D | 30.1 | Very low | 32.8 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -153.8 | 171 | 41.6 | -113.4 | -55.7 | 0 | 0 | 0 | 117.5 | ||||
| 45 | T | 30.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -97.4 | -173 | -178.1 | 20.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 46 | P | 49.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -130.2 | -124.7 | -39.2 | 37.4 | -16.8 | 0 | 0 | 0 | 108.8 | ||||
| 47 | P | 50.7 | Low | 31.5 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | cis | -124.9 | 164.3 | -46.4 | 36.7 | -21.8 | 0 | 0 | 0 | 114.8 | ||||
| 48 | A | 26.8 | Very low | 31.1 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | -158.9 | 134.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 49 | A | 29 | Very low | 31 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -141.5 | 139.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 50 | L | 31.7 | Very low | 30.6 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -141.5 | 153.3 | 153.7 | -88.5 | -175.8 | 0 | 0 | 0 | 109.8 | ||||
| 51 | Q | 30.1 | Very low | 30 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -92.4 | 159.1 | -170.4 | -59.3 | 151.3 | -29 | 0 | 0 | 111.1 | ||||
| 52 | L | 24.9 | Very low | 30.1 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | trans | -157.1 | 171.2 | 130.7 | -113.4 | 169.6 | 0 | 0 | 0 | 111.4 | ||||
| 53 | Q | 26.2 | Very low | 30.8 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -117.5 | 170.1 | -151.7 | -172.7 | 169.6 | -13.3 | 0 | 0 | 112.9 | ||||
| 54 | E | 27.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 147 Ų | 147 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -23.1 | 147 | 171.9 | -57.5 | 162 | 99.1 | 0 | 0 | 118.1 | ||||
| 55 | L | 27.2 | Very low | 30.5 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 94% | 0.942 | 79% | 0.785 | S | S | * | * | -159.8 | 170.2 | 114.5 | -105.8 | 167.4 | 0 | 0 | 0 | 111.8 | |||||
| 56 | R | 25.2 | Very low | 30.2 | Very low | 217 Ų | 217 | 145.2 Ų | 145.2 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -131.7 | 157.7 | -170.7 | -168.2 | -150 | -77.1 | -163.1 | -3.2 | 109.8 | ||||
| 57 | S | 28 | Very low | 29.1 | Very low | 83 Ų | 83 | 143.2 Ų | 143.2 | 58% | 0.58 | 79% | 0.794 | S | S | * | * | trans | 72.5 | 153.3 | 161.4 | -71.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 58 | E | 26.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | cis | -158.8 | -173.2 | -13.6 | -123 | 163.3 | 105.2 | 0 | 0 | 111.5 | ||||
| 59 | E | 24.1 | Very low | 28.2 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | 80.9 | 144 | 150.8 | -99.1 | -146.1 | 88.6 | 0 | 0 | 123.7 | ||||
| 60 | S | 24.3 | Very low | 28.2 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | 37 | 138.2 | 136.1 | -83.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 61 | S | 29.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | cis | -171.3 | 177.3 | 21.9 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 62 | K | 30.1 | Very low | 28.6 | Very low | 199 Ų | 199 | 143.3 Ų | 143.3 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -119.4 | 156.1 | 154.4 | -112.1 | 177.2 | 179.2 | 171.8 | 0 | 106.2 | ||||
| 63 | P | 48.2 | Very low | 28.7 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | -156.5 | -168.5 | 54.5 | 42.7 | -21.1 | 0 | 0 | 0 | 116.9 | |||||
| 64 | K | 25.3 | Very low | 28.8 | Very low | 207 Ų | 207 | 134.6 Ų | 134.6 | 90% | 0.9 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 156 | 166.2 | -63.8 | 177.9 | 179.2 | -179 | 0 | 116.5 | ||||
| 65 | G | 25.6 | Very low | 28.9 | Very low | 59 Ų | 59 | 134.1 Ų | 134.1 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | cis | 169.3 | 147 | -10.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 66 | D | 24.3 | Very low | 29.3 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 96% | 0.957 | 78% | 0.777 | S | S | * | * | trans | 60.1 | 144.9 | 169.1 | -49.7 | -37.8 | 0 | 0 | 0 | 118.2 | ||||
| 67 | G | 26.5 | Very low | 29.9 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | 177.3 | 157.4 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 68 | S | 28.6 | Very low | 29.9 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 54.6 | 121.2 | 157.3 | 179.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 69 | S | 29.9 | Very low | 30 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | -153 | 161.5 | 127.6 | -90.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 70 | R | 30 | Very low | 30.1 | Very low | 214 Ų | 214 | 126.1 Ų | 126.1 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -84.5 | 178.9 | -173.8 | -121.5 | -178.9 | 174.8 | 178.8 | -7 | 111.3 | V72 | R70-V72 HydrophobicContact CG-CG2 4.26Å; R70-V72 VanDerWaalsContact NE-CG2 3.31Å | ||
| 71 | P | 39.5 | Very low | 30.2 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -126.8 | -178.1 | 36.2 | 47.9 | -32.9 | 0 | 0 | 0 | 112.4 | ||||
| 72 | V | 30.7 | Very low | 30.1 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | cis | 71.9 | 126.5 | 26.1 | 177.3 | 0 | 0 | 0 | 0 | 115.2 | R70 | R70-V72 HydrophobicContact CG-CG2 4.26Å; R70-V72 VanDerWaalsContact NE-CG2 3.31Å | ||
| 73 | G | 25.4 | Very low | 29.8 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 134.4 | 111.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 74 | G | 29.4 | Very low | 28.9 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -141 | 139.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 75 | T | 29.2 | Very low | 29.3 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -155.5 | 145.4 | 174.8 | 14.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 76 | D | 35.5 | Very low | 29.5 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -76 | 175.1 | 175.6 | -50.8 | -89.4 | 0 | 0 | 0 | 111.9 | ||||
| 77 | P | 38.3 | Very low | 29.8 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -130.9 | 99 | 147 | 34.8 | -21.8 | 0 | 0 | 0 | 112.9 | ||||
| 78 | E | 28 | Very low | 29.8 | Very low | 198 Ų | 198 | 127.3 Ų | 127.3 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -90.1 | 146.4 | 139 | -171.8 | 173.9 | -127.1 | 0 | 0 | 106.4 | ||||
| 79 | G | 27.2 | Very low | 30 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | cis | 178.8 | 140.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 80 | A | 26.6 | Very low | 29.9 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -164.9 | 100.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 81 | E | 26.8 | Very low | 29.6 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | 70.2 | 90.6 | 84.8 | -69.8 | -145.6 | 136.5 | 0 | 0 | 115 | |||||
| 82 | A | 26 | Very low | 29.1 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -143.9 | 105 | 149 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 83 | C | 25.5 | Very low | 29 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -74.6 | 134.3 | -166.6 | -63 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 84 | L | 28.5 | Very low | 29.2 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -117.7 | 110.8 | 160.1 | -72.1 | 176.8 | 0 | 0 | 0 | 108.9 | ||||
| 85 | P | 33 | Very low | 29.1 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -72.3 | 138.8 | 178.3 | 28.9 | -33.2 | 0 | 0 | 0 | 111.2 | ||||
| 86 | S | 31.3 | Very low | 29.5 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -139.5 | 81.5 | 170.1 | -78.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 87 | L | 29.3 | Very low | 29 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | trans | -149.4 | 140.7 | 174 | -143 | 80 | 0 | 0 | 0 | 106.9 | ||||
| 88 | G | 26.4 | Very low | 28.5 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | -154.9 | -179.5 | -7.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 89 | Q | 33.1 | Very low | 28.8 | Very low | 184 Ų | 184 | 124.9 Ų | 124.9 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -94.8 | 161.5 | 179.1 | -64.6 | -177.2 | -12.1 | 0 | 0 | 112.6 | ||||
| 90 | Q | 27.5 | Very low | 28.9 | Very low | 180 Ų | 180 | 131 Ų | 131 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | 81.5 | 100.6 | 161 | -50.8 | -172.1 | 8.2 | 0 | 0 | 119.6 | ||||
| 91 | A | 24.2 | Very low | 29.9 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | -158.6 | 114.8 | 121.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 92 | S | 28.3 | Very low | 30.6 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | 88.8 | 92.3 | 68.5 | -67 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 93 | S | 30.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 44.6 | 103.3 | 141.6 | 60.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 94 | S | 27.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | -157.7 | 159.1 | 126.9 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 95 | G | 29.1 | Very low | 32.9 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -93.7 | -158.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 96 | P | 36.3 | Very low | 33.5 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | cis | -119.8 | -170.5 | 10 | 41.6 | -28.8 | 0 | 0 | 0 | 114.3 | ||||
| 97 | A | 26.6 | Very low | 34.3 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | trans | -67 | 151.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q99 | A97-Q99 VanDerWaalsContact C-N 3.28Å; A97-Q99 PolarHBondContact O-N 3.47Å | ||
| 98 | C | 27.7 | Very low | 35.1 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 93% | 0.926 | 73% | 0.726 | S | S | * | * | trans | -66.6 | 87.3 | 162 | -58 | 0 | 0 | 0 | 0 | 109.8 | R100 | C98-R100 PolarHBondContact O-N 3.27Š| ||
| 99 | Q | 32.8 | Very low | 36 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -63.7 | 128.4 | 162.6 | -67.9 | -179.3 | -7.9 | 0 | 0 | 108.1 | A97 P101 | A97-Q99 VanDerWaalsContact C-N 3.28Å; A97-Q99 PolarHBondContact O-N 3.47Å; Q99-P101 WeakPolarHBondContact O-CD 3.42Å | ||
| 100 | R | 29.9 | Very low | 36.9 | Very low | 197 Ų | 197 | 123.4 Ų | 123.4 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -111.3 | 93.3 | 173.5 | -178.2 | -177.7 | -179.5 | 165.3 | 3.4 | 107.8 | C98 E102 | C98-R100 PolarHBondContact O-N 3.27Å; R100-E102 VanDerWaalsContact C-N 3.3Å; R100-E102 HydrophobicContact CG-CB 4.42Å; R100-E102 HydrophobicContact CG-CG 4.28Å; R100-E102 IonicContact CZ-OE2 3.19Å; R100-E102 IonicContact NE-OE2 2.75Å; R100-E102 PolarHBondContact NE-OE2 3.27Å; R100-E102 IonicContact NH2-OE2 3.73Å; R100-E102 PolarHBondContact NH2-OE2 2.8Å; R100-E102 PolarHBondContact O-N 3.01Å | ||
| 101 | P | 46.6 | Very low | 37.8 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 76.1 | -177.1 | 33.7 | -34.8 | 0 | 0 | 0 | 110.2 | Q99 | Q99-P101 WeakPolarHBondContact O-CD 3.42Š|
| 102 | E | 41.5 | Very low | 38.9 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 51% | 0.505 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.3 | -12.4 | 177.9 | -70 | -172.9 | 150.8 | 0 | 0 | 114.4 | R100 V106 | R100-E102 VanDerWaalsContact C-N 3.3Å; R100-E102 HydrophobicContact CG-CB 4.42Å; R100-E102 HydrophobicContact CG-CG 4.28Å; R100-E102 IonicContact CZ-OE2 3.19Å; R100-E102 IonicContact NE-OE2 2.75Å; R100-E102 PolarHBondContact NE-OE2 3.27Å; R100-E102 IonicContact NH2-OE2 3.73Å; R100-E102 PolarHBondContact NH2-OE2 2.8Å; R100-E102 PolarHBondContact O-N 3.01Å; E102-V106 WeakPolarHBondContact O-CG2 3.32Å |
| 103 | D | 41.2 | Very low | 39.9 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -93.2 | -25.3 | 176.9 | -73.2 | -54 | 0 | 0 | 0 | 113.2 | ||
| 104 | E | 44.3 | Very low | 40.7 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -85.6 | -38.9 | -177.3 | -69.5 | -168.5 | 142.9 | 0 | 0 | 114.3 | V106 E107 A108 | E104-V106 PolarHBondContact O-N 3.27Å; E104-E107 PolarHBondContact O-N 3.46Å; E104-A108 PolarHBondContact O-N 2.84Å; E104-A108 VanDerWaalsContact O-N 3.09Å |
| 105 | E | 44.7 | Very low | 41.9 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -63.3 | -33 | 177.3 | -69.2 | -164.2 | 133.5 | 0 | 0 | 111.9 | A108 F109 | E105-A108 PolarHBondContact O-N 2.74Å; E105-F109 WeakPolarHBondContact O-CB 3.34Å; E105-F109 PolarHBondContact O-N 3.44Å |
| 106 | V | 45.6 | Very low | 42.6 | Very low | 75 Ų | 75 | 132.9 Ų | 132.9 | 46% | 0.455 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -72.7 | -31.4 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | E102 E104 L110 | E102-V106 WeakPolarHBondContact O-CG2 3.32Å; E104-V106 PolarHBondContact O-N 3.27Å; V106-L110 WeakPolarHBondContact O-CD1 3.37Å; V106-L110 WeakPolarHBondContact O-CG 3.42Å |
| 107 | E | 46.8 | Very low | 43.2 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 48% | 0.477 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -66.2 | -48.2 | 168.1 | -94.2 | -74.1 | 138.8 | 0 | 0 | 110.9 | E104 F109 L110 K111 | E104-E107 PolarHBondContact O-N 3.46Å; E107-F109 PolarHBondContact O-N 3.43Å; E107-L110 PolarHBondContact O-N 2.9Å; E107-K111 PolarHBondContact O-N 2.97Å |
| 108 | A | 46.1 | Very low | 44.3 | Very low | 63 Ų | 63 | 137 Ų | 137 | 52% | 0.521 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -60.1 | -43.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E104 E105 L110 K111 A112 | E104-A108 PolarHBondContact O-N 2.84Å; E104-A108 VanDerWaalsContact O-N 3.09Å; E105-A108 PolarHBondContact O-N 2.74Å; A108-L110 VanDerWaalsContact C-N 3.33Å; A108-L110 PolarHBondContact O-N 2.94Å; A108-K111 PolarHBondContact O-N 3.09Å; A108-A112 PolarHBondContact O-N 3.32Å |
| 109 | F | 45.5 | Very low | 45.7 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 76% | 0.763 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.4 | -32.4 | -177.5 | -143.9 | -87.2 | 0 | 0 | 0 | 113.3 | E105 E107 | E105-F109 WeakPolarHBondContact O-CB 3.34Å; E105-F109 PolarHBondContact O-N 3.44Å; E107-F109 PolarHBondContact O-N 3.43Å |
| 110 | L | 51.8 | Low | 46.8 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 48% | 0.482 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -74.3 | -37.2 | 175.5 | -71.7 | 170.9 | 0 | 0 | 0 | 111.8 | V106 E107 A108 A112 K113 | V106-L110 WeakPolarHBondContact O-CD1 3.37Å; V106-L110 WeakPolarHBondContact O-CG 3.42Å; E107-L110 PolarHBondContact O-N 2.9Å; A108-L110 VanDerWaalsContact C-N 3.33Å; A108-L110 PolarHBondContact O-N 2.94Å; L110-A112 VanDerWaalsContact C-N 3.31Å; L110-A112 PolarHBondContact O-N 2.96Å; L110-K113 PolarHBondContact O-N 3.45Å |
| 111 | K | 47.6 | Very low | 48 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.3 | -30.4 | -177.7 | -143.4 | 164.5 | -166.4 | 159.5 | 0 | 113.2 | E107 A108 K113 | E107-K111 PolarHBondContact O-N 2.97Å; A108-K111 PolarHBondContact O-N 3.09Å; K111-K113 VanDerWaalsContact C-N 3.29Å; K111-K113 PolarHBondContact O-N 3.01Å |
| 112 | A | 47 | Very low | 48.6 | Very low | 84 Ų | 84 | 128.2 Ų | 128.2 | 69% | 0.694 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -16.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A108 L110 | A108-A112 PolarHBondContact O-N 3.32Å; L110-A112 VanDerWaalsContact C-N 3.31Å; L110-A112 PolarHBondContact O-N 2.96Å |
| 113 | K | 48.2 | Very low | 49.6 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 23.6 | -170.1 | -149.5 | 174.4 | -179.4 | 177.4 | 0 | 114.9 | L110 K111 | L110-K113 PolarHBondContact O-N 3.45Å; K111-K113 VanDerWaalsContact C-N 3.29Å; K111-K113 PolarHBondContact O-N 3.01Å |
| 114 | L | 48.8 | Very low | 51.3 | Low | 139 Ų | 139 | 125.4 Ų | 125.4 | 73% | 0.728 | 65% | 0.649 | S | S | * | * | trans | -96.3 | 7.3 | 173.7 | -84.2 | 166.8 | 0 | 0 | 0 | 114.4 | ||||
| 115 | N | 51.6 | Low | 53.1 | Low | 154 Ų | 154 | 122.6 Ų | 122.6 | 82% | 0.824 | 64% | 0.636 | S | S | * | * | trans | -109 | 58.3 | 176.3 | -73.6 | -17.5 | 0 | 0 | 0 | 112.3 | ||||
| 116 | M | 44.7 | Very low | 54.9 | Low | 176 Ų | 176 | 120.9 Ų | 120.9 | 87% | 0.867 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -155.1 | 148.5 | 150.5 | -96.8 | -46.3 | -179.8 | 0 | 0 | 111.6 | ||
| 117 | S | 47.4 | Very low | 56.7 | Low | 94 Ų | 94 | 121.9 Ų | 121.9 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | trans | -83.9 | 147.8 | -161.3 | 50 | 0 | 0 | 0 | 0 | 117 | ||||
| 118 | F | 49.7 | Very low | 58.7 | Low | 204 Ų | 204 | 124.3 Ų | 124.3 | 90% | 0.895 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 73.1 | 82.9 | 149.1 | -85.5 | -122.7 | 0 | 0 | 0 | 117.9 | D120 | F118-D120 WeakPolarHBondContact CA-OD2 3.46Å; F118-D120 PolarHBondContact N-OD2 2.88Å |
| 119 | G | 57.4 | Low | 60.7 | Low | 44 Ų | 44 | 123.7 Ų | 123.7 | 45% | 0.454 | 63% | 0.633 | S | S | . | * | trans | -165.7 | 16.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R121 | G119-R121 PolarHBondContact O-N 3.29Å; G119-R121 VanDerWaalsContact O-N 3.17Å | ||
| 120 | D | 56.9 | Low | 62.7 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | 34.3 | -134.4 | -51.9 | -65.5 | 0 | 0 | 0 | 116.9 | F118 L124 | F118-D120 WeakPolarHBondContact CA-OD2 3.46Å; F118-D120 PolarHBondContact N-OD2 2.88Å; D120-L124 WeakPolarHBondContact O-CB 3.47Å |
| 121 | R | 54.8 | Low | 64.5 | Low | 198 Ų | 198 | 116.8 Ų | 116.8 | 75% | 0.747 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -62 | 170.7 | -145.1 | 179.2 | -166.6 | -168.1 | 4.4 | 113.4 | G119 N123 L124 E125 | G119-R121 PolarHBondContact O-N 3.29Å; G119-R121 VanDerWaalsContact O-N 3.17Å; R121-N123 VanDerWaalsContact C-N 3.29Å; R121-N123 PolarHBondContact O-N 2.78Å; R121-L124 PolarHBondContact O-N 3.46Å; R121-L124 VanDerWaalsContact O-N 3.16Å; R121-E125 PolarHBondContact O-N 3.1Å; R121-E125 VanDerWaalsContact O-N 3.17Å |
| 122 | P | 59.9 | Low | 66.7 | Low | 90 Ų | 90 | 112.8 Ų | 112.8 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.1 | -34.8 | 178 | 26 | -35 | 0 | 0 | 0 | 112.5 | L124 E125 L126 | P122-L124 VanDerWaalsContact C-N 3.35Å; P122-L124 PolarHBondContact O-N 3.41Å; P122-E125 PolarHBondContact O-N 2.89Å; P122-L126 WeakPolarHBondContact O-CB 3.28Å; P122-L126 PolarHBondContact O-N 3.05Å |
| 123 | N | 61.4 | Low | 68.8 | Low | 87 Ų | 87 | 113.4 Ų | 113.4 | 47% | 0.465 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.7 | -40.5 | 174.9 | -75.6 | -20.3 | 0 | 0 | 0 | 112.3 | R121 L126 L127 | R121-N123 VanDerWaalsContact C-N 3.29Å; R121-N123 PolarHBondContact O-N 2.78Å; N123-L126 PolarHBondContact O-N 3.11Å; N123-L127 WeakPolarHBondContact O-CB 3.49Å; N123-L127 VanDerWaalsContact O-CG 3.25Å; N123-L127 WeakPolarHBondContact O-CG 3.41Å; N123-L127 PolarHBondContact O-N 2.88Å |
| 124 | L | 77.4 | Confident | 71 | Confident | 100 Ų | 100 | 111.1 Ų | 111.1 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.1 | -33.9 | -178.9 | -164.2 | 74 | 0 | 0 | 0 | 112 | D120 R121 P122 R128 | D120-L124 WeakPolarHBondContact O-CB 3.47Å; R121-L124 PolarHBondContact O-N 3.46Å; R121-L124 VanDerWaalsContact O-N 3.16Å; P122-L124 VanDerWaalsContact C-N 3.35Å; P122-L124 PolarHBondContact O-N 3.41Å; L124-R128 WeakPolarHBondContact O-CB 3.18Å; L124-R128 PolarHBondContact O-N 3.11Å |
| 125 | E | 80.7 | Confident | 73.2 | Confident | 111 Ų | 111 | 110.7 Ų | 110.7 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.5 | -40.2 | 173.1 | -71.3 | 169.5 | -166 | 0 | 0 | 111.5 | R121 P122 R128 A129 | R121-E125 PolarHBondContact O-N 3.1Å; R121-E125 VanDerWaalsContact O-N 3.17Å; P122-E125 PolarHBondContact O-N 2.89Å; E125-R128 WeakPolarHBondContact O-CB 3.38Å; E125-R128 PolarHBondContact O-N 2.77Å; E125-A129 WeakPolarHBondContact O-CB 3.49Å; E125-A129 PolarHBondContact O-N 3.2Å |
| 126 | L | 82.6 | Confident | 75.2 | Confident | 112 Ų | 112 | 109.9 Ų | 109.9 | 59% | 0.586 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.5 | -42.9 | 174.1 | -164 | 77 | 0 | 0 | 0 | 112.1 | P122 N123 R128 A129 L130 | P122-L126 WeakPolarHBondContact O-CB 3.28Å; P122-L126 PolarHBondContact O-N 3.05Å; N123-L126 PolarHBondContact O-N 3.11Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 2.8Å; L126-A129 PolarHBondContact O-N 2.82Å; L126-L130 WeakPolarHBondContact O-CB 3.19Å; L126-L130 WeakPolarHBondContact O-CG 3.38Å; L126-L130 PolarHBondContact O-N 3.09Å |
| 127 | L | 84.1 | Confident | 77.4 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 174.3 | -74.6 | 168.8 | 0 | 0 | 0 | 111.9 | N123 L130 G131 | N123-L127 WeakPolarHBondContact O-CB 3.49Å; N123-L127 VanDerWaalsContact O-CG 3.25Å; N123-L127 WeakPolarHBondContact O-CG 3.41Å; N123-L127 PolarHBondContact O-N 2.88Å; L127-L130 PolarHBondContact O-N 3.26Å; L127-G131 PolarHBondContact O-N 3.3Å |
| 128 | R | 88.3 | Confident | 79.6 | Confident | 153 Ų | 153 | 101.8 Ų | 101.8 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -46.3 | 173.5 | -169.7 | -177.7 | -55.8 | 174.4 | 5.7 | 111.7 | L124 E125 L126 L130 G131 E132 | L124-R128 WeakPolarHBondContact O-CB 3.18Å; L124-R128 PolarHBondContact O-N 3.11Å; E125-R128 WeakPolarHBondContact O-CB 3.38Å; E125-R128 PolarHBondContact O-N 2.77Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 2.8Å; R128-L130 VanDerWaalsContact C-N 3.32Å; R128-L130 PolarHBondContact O-N 3.08Å; R128-G131 WeakPolarHBondContact O-CA 3.46Å; R128-G131 PolarHBondContact O-N 3.2Å; R128-G131 VanDerWaalsContact O-N 3.11Å; R128-E132 PolarHBondContact O-N 3.47Å |
| 129 | A | 87.8 | Confident | 81.7 | Confident | 50 Ų | 50 | 96 Ų | 96 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E125 L126 L133 | E125-A129 WeakPolarHBondContact O-CB 3.49Å; E125-A129 PolarHBondContact O-N 3.2Å; L126-A129 PolarHBondContact O-N 2.82Å; A129-L133 VanDerWaalsContact O-CB 3.27Å; A129-L133 WeakPolarHBondContact O-CB 3.29Å; A129-L133 PolarHBondContact O-N 3.25Å |
| 130 | L | 88.6 | Confident | 83.3 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 171.9 | -75.7 | 167.7 | 0 | 0 | 0 | 112.3 | L126 L127 R128 L133 R134 | L126-L130 WeakPolarHBondContact O-CB 3.19Å; L126-L130 WeakPolarHBondContact O-CG 3.38Å; L126-L130 PolarHBondContact O-N 3.09Å; L127-L130 PolarHBondContact O-N 3.26Å; R128-L130 VanDerWaalsContact C-N 3.32Å; R128-L130 PolarHBondContact O-N 3.08Å; L130-L133 PolarHBondContact O-N 2.8Å; L130-R134 WeakPolarHBondContact O-CB 3.37Å; L130-R134 VanDerWaalsContact O-CG 3.28Å; L130-R134 WeakPolarHBondContact O-CG 3.32Å; L130-R134 PolarHBondContact O-N 3.21Å |
| 131 | G | 89.6 | Confident | 85 | Confident | 36 Ų | 36 | 101.1 Ų | 101.1 | 37% | 0.371 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L127 R128 L133 R134 Q135 | L127-G131 PolarHBondContact O-N 3.3Å; R128-G131 WeakPolarHBondContact O-CA 3.46Å; R128-G131 PolarHBondContact O-N 3.2Å; R128-G131 VanDerWaalsContact O-N 3.11Å; G131-L133 VanDerWaalsContact C-N 3.34Å; G131-L133 PolarHBondContact O-N 3.29Å; G131-R134 PolarHBondContact O-N 3.33Å; G131-Q135 WeakPolarHBondContact O-CB 3.1Å; G131-Q135 PolarHBondContact O-N 3.03Å |
| 132 | E | 93.1 | Very high | 86.8 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 35% | 0.35 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 175 | -71.5 | -179.7 | -147.9 | 0 | 0 | 112.4 | R128 Q135 R136 | R128-E132 PolarHBondContact O-N 3.47Å; E132-Q135 PolarHBondContact O-N 3.43Å; E132-R136 WeakPolarHBondContact O-CB 3.06Å; E132-R136 VanDerWaalsContact O-CG 3.26Å; E132-R136 WeakPolarHBondContact O-CG 3.4Å; E132-R136 PolarHBondContact O-N 2.99Å; E132-R136 IonicContact OE2-CZ 3.69Å; E132-R136 VanDerWaalsContact OE2-CZ 3.24Å; E132-R136 IonicContact OE2-NH1 2.74Å; E132-R136 PolarHBondContact OE2-NH1 2.83Å; E132-R136 IonicContact OE2-NH2 3.82Å; E132-R136 PolarHBondContact OE2-NH2 3.05Å |
| 133 | L | 92.4 | Very high | 88.1 | Confident | 98 Ų | 98 | 98.7 Ų | 98.7 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 177.5 | -176.4 | 60.9 | 0 | 0 | 0 | 111.3 | A129 L130 G131 Q135 R136 C137 | A129-L133 VanDerWaalsContact O-CB 3.27Å; A129-L133 WeakPolarHBondContact O-CB 3.29Å; A129-L133 PolarHBondContact O-N 3.25Å; L130-L133 PolarHBondContact O-N 2.8Å; G131-L133 VanDerWaalsContact C-N 3.34Å; G131-L133 PolarHBondContact O-N 3.29Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 3.25Å; L133-R136 PolarHBondContact O-N 2.72Å; L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 3.39Å; L133-C137 PolarHBondContact O-SG 3.08Å |
| 134 | R | 93.8 | Very high | 89.3 | Confident | 135 Ų | 135 | 98.1 Ų | 98.1 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 172.4 | -76.8 | 174.4 | 175 | -167.9 | -2.1 | 111.1 | L130 G131 C137 A138 | L130-R134 WeakPolarHBondContact O-CB 3.37Å; L130-R134 VanDerWaalsContact O-CG 3.28Å; L130-R134 WeakPolarHBondContact O-CG 3.32Å; L130-R134 PolarHBondContact O-N 3.21Å; G131-R134 PolarHBondContact O-N 3.33Å; R134-C137 PolarHBondContact O-N 2.87Å; R134-A138 PolarHBondContact O-N 3.4Å |
| 135 | Q | 94.1 | Very high | 89.7 | Confident | 129 Ų | 129 | 98.7 Ų | 98.7 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.5 | -44 | 178.2 | -166.1 | 174.9 | 16.9 | 0 | 0 | 112.4 | G131 E132 L133 C137 A138 I139 | G131-Q135 WeakPolarHBondContact O-CB 3.1Å; G131-Q135 PolarHBondContact O-N 3.03Å; E132-Q135 PolarHBondContact O-N 3.43Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 3.25Å; Q135-C137 VanDerWaalsContact C-N 3.33Å; Q135-C137 PolarHBondContact O-N 2.79Å; Q135-A138 WeakPolarHBondContact O-CB 3.32Å; Q135-A138 PolarHBondContact O-N 2.79Å; Q135-A138 VanDerWaalsContact O-N 3.16Å; Q135-I139 HydrophobicContact CG-CD1 4.31Å; Q135-I139 WeakPolarHBondContact O-CG1 3.44Å; Q135-I139 PolarHBondContact O-N 3.37Å |
| 136 | R | 94.1 | Very high | 89.7 | Confident | 137 Ų | 137 | 98.9 Ų | 98.9 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 172.2 | -73.2 | 170.2 | -175.9 | 125.3 | 13.2 | 111.2 | E132 L133 A138 I139 L140 | E132-R136 WeakPolarHBondContact O-CB 3.06Å; E132-R136 VanDerWaalsContact O-CG 3.26Å; E132-R136 WeakPolarHBondContact O-CG 3.4Å; E132-R136 PolarHBondContact O-N 2.99Å; E132-R136 IonicContact OE2-CZ 3.69Å; E132-R136 VanDerWaalsContact OE2-CZ 3.24Å; E132-R136 IonicContact OE2-NH1 2.74Å; E132-R136 PolarHBondContact OE2-NH1 2.83Å; E132-R136 IonicContact OE2-NH2 3.82Å; E132-R136 PolarHBondContact OE2-NH2 3.05Å; L133-R136 PolarHBondContact O-N 2.72Å; R136-A138 PolarHBondContact O-N 2.97Å; R136-I139 PolarHBondContact O-N 3.21Å; R136-L140 WeakPolarHBondContact O-CB 3.43Å; R136-L140 VanDerWaalsContact O-CG 3.26Å; R136-L140 WeakPolarHBondContact O-CG 3.09Å; R136-L140 PolarHBondContact O-N 2.99Å |
| 137 | C | 90.8 | Very high | 89.4 | Confident | 55 Ų | 55 | 98.7 Ų | 98.7 | 37% | 0.372 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -32.4 | 174.8 | -71.8 | 0 | 0 | 0 | 0 | 113.3 | L133 R134 Q135 K141 | L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 3.39Å; L133-C137 PolarHBondContact O-SG 3.08Å; R134-C137 PolarHBondContact O-N 2.87Å; Q135-C137 VanDerWaalsContact C-N 3.33Å; Q135-C137 PolarHBondContact O-N 2.79Å; C137-K141 WeakPolarHBondContact O-CB 3.5Å; C137-K141 WeakPolarHBondContact O-CD 3.35Å; C137-K141 WeakPolarHBondContact O-CG 3.42Å; C137-K141 PolarHBondContact O-N 3.12Å |
| 138 | A | 94.1 | Very high | 89 | Confident | 46 Ų | 46 | 102.3 Ų | 102.3 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67 | -49.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R134 Q135 R136 L140 K141 E142 | R134-A138 PolarHBondContact O-N 3.4Å; Q135-A138 WeakPolarHBondContact O-CB 3.32Å; Q135-A138 PolarHBondContact O-N 2.79Å; Q135-A138 VanDerWaalsContact O-N 3.16Å; R136-A138 PolarHBondContact O-N 2.97Å; A138-L140 PolarHBondContact O-N 2.62Å; A138-K141 WeakPolarHBondContact O-CB 3.35Å; A138-K141 PolarHBondContact O-N 2.66Å; A138-K141 VanDerWaalsContact O-N 3.12Å; A138-E142 PolarHBondContact O-N 3.32Å |
| 139 | I | 93.2 | Very high | 88.4 | Confident | 82 Ų | 82 | 100.9 Ų | 100.9 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.1 | -49.5 | 176 | -65.7 | 163 | 0 | 0 | 0 | 110.5 | Q135 R136 K141 E142 E143 | Q135-I139 HydrophobicContact CG-CD1 4.31Å; Q135-I139 WeakPolarHBondContact O-CG1 3.44Å; Q135-I139 PolarHBondContact O-N 3.37Å; R136-I139 PolarHBondContact O-N 3.21Å; I139-K141 VanDerWaalsContact C-N 3.29Å; I139-K141 PolarHBondContact O-N 3.17Å; I139-E142 PolarHBondContact O-N 3.34Å; I139-E142 VanDerWaalsContact O-N 3.1Å; I139-E143 HydrophobicContact CG2-CG 4.26Å; I139-E143 WeakPolarHBondContact O-CB 3.47Å; I139-E143 WeakPolarHBondContact O-CG 3.26Å; I139-E143 PolarHBondContact O-N 3Å |
| 140 | L | 92.8 | Very high | 87.4 | Confident | 93 Ų | 93 | 102 Ų | 102 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -29.7 | 178.3 | -72.8 | 167.5 | 0 | 0 | 0 | 113.4 | R136 A138 N144 | R136-L140 WeakPolarHBondContact O-CB 3.43Å; R136-L140 VanDerWaalsContact O-CG 3.26Å; R136-L140 WeakPolarHBondContact O-CG 3.09Å; R136-L140 PolarHBondContact O-N 2.99Å; A138-L140 PolarHBondContact O-N 2.62Å; L140-N144 VanDerWaalsContact O-CB 3.28Å; L140-N144 WeakPolarHBondContact O-CB 3.32Å; L140-N144 PolarHBondContact O-N 2.81Å; L140-N144 PolarHBondContact O-ND2 3.15Å |
| 141 | K | 92 | Very high | 86.1 | Confident | 156 Ų | 156 | 101.1 Ų | 101.1 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69 | -44.3 | 171.5 | -79.3 | 168.4 | -179.4 | -179.7 | 0 | 111 | C137 A138 I139 N144 Q145 | C137-K141 WeakPolarHBondContact O-CB 3.5Å; C137-K141 WeakPolarHBondContact O-CD 3.35Å; C137-K141 WeakPolarHBondContact O-CG 3.42Å; C137-K141 PolarHBondContact O-N 3.12Å; A138-K141 WeakPolarHBondContact O-CB 3.35Å; A138-K141 PolarHBondContact O-N 2.66Å; A138-K141 VanDerWaalsContact O-N 3.12Å; I139-K141 VanDerWaalsContact C-N 3.29Å; I139-K141 PolarHBondContact O-N 3.17Å; K141-N144 PolarHBondContact O-N 2.85Å; K141-Q145 WeakPolarHBondContact O-CB 3.17Å; K141-Q145 PolarHBondContact O-N 3.45Å |
| 142 | E | 91.4 | Very high | 84.4 | Confident | 137 Ų | 137 | 105.9 Ų | 105.9 | 64% | 0.64 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -46 | 176.9 | -70.7 | -176.8 | 177.7 | 0 | 0 | 111.8 | A138 I139 N144 Q145 M146 | A138-E142 PolarHBondContact O-N 3.32Å; I139-E142 PolarHBondContact O-N 3.34Å; I139-E142 VanDerWaalsContact O-N 3.1Å; E142-N144 PolarHBondContact O-N 2.84Å; E142-Q145 CarbonylContact O-C 3.6Å; E142-Q145 WeakPolarHBondContact O-CB 3.43Å; E142-Q145 PolarHBondContact O-N 3.09Å; E142-Q145 VanDerWaalsContact O-N 3.09Å; E142-M146 WeakPolarHBondContact O-CB 3.4Å; E142-M146 WeakPolarHBondContact O-CG 3.47Å; E142-M146 PolarHBondContact O-N 3.25Å |
| 143 | E | 88.9 | Confident | 83 | Confident | 100 Ų | 100 | 105.2 Ų | 105.2 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 173.5 | -72.7 | -179.4 | 161.5 | 0 | 0 | 111.4 | I139 Q145 M146 L147 | I139-E143 HydrophobicContact CG2-CG 4.26Å; I139-E143 WeakPolarHBondContact O-CB 3.47Å; I139-E143 WeakPolarHBondContact O-CG 3.26Å; I139-E143 PolarHBondContact O-N 3Å; E143-Q145 VanDerWaalsContact C-N 3.31Å; E143-Q145 PolarHBondContact O-N 2.87Å; E143-M146 PolarHBondContact O-N 2.98Å; E143-L147 WeakPolarHBondContact O-CB 3.35Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.45Å; E143-L147 PolarHBondContact O-N 3.34Å |
| 144 | N | 85.2 | Confident | 81.7 | Confident | 75 Ų | 75 | 106.4 Ų | 106.4 | 40% | 0.401 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 173 | -95.6 | -93.6 | 0 | 0 | 0 | 112.3 | L140 K141 E142 R148 | L140-N144 VanDerWaalsContact O-CB 3.28Å; L140-N144 WeakPolarHBondContact O-CB 3.32Å; L140-N144 PolarHBondContact O-N 2.81Å; L140-N144 PolarHBondContact O-ND2 3.15Å; K141-N144 PolarHBondContact O-N 2.85Å; E142-N144 PolarHBondContact O-N 2.84Å; N144-R148 WeakPolarHBondContact O-CB 3.38Å; N144-R148 VanDerWaalsContact O-CG 3.23Å; N144-R148 WeakPolarHBondContact O-CG 3.01Å; N144-R148 PolarHBondContact O-N 2.68Å |
| 145 | Q | 86.3 | Confident | 80.7 | Confident | 111 Ų | 111 | 103.1 Ų | 103.1 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 177.6 | -156.8 | -166.2 | 80.3 | 0 | 0 | 111.2 | K141 E142 E143 K149 | K141-Q145 WeakPolarHBondContact O-CB 3.17Å; K141-Q145 PolarHBondContact O-N 3.45Å; E142-Q145 CarbonylContact O-C 3.6Å; E142-Q145 WeakPolarHBondContact O-CB 3.43Å; E142-Q145 PolarHBondContact O-N 3.09Å; E142-Q145 VanDerWaalsContact O-N 3.09Å; E143-Q145 VanDerWaalsContact C-N 3.31Å; E143-Q145 PolarHBondContact O-N 2.87Å; Q145-K149 WeakPolarHBondContact O-CB 3.48Å; Q145-K149 VanDerWaalsContact O-CG 3.23Å; Q145-K149 WeakPolarHBondContact O-CG 3.42Å; Q145-K149 PolarHBondContact O-N 3.26Å; Q145-K149 VanDerWaalsContact OE1-CE 3.29Å |
| 146 | M | 80.8 | Confident | 79.9 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.7 | -39.9 | 176.2 | -71.1 | -62.7 | -75.1 | 0 | 0 | 112.4 | E142 E143 K149 S150 | E142-M146 WeakPolarHBondContact O-CB 3.4Å; E142-M146 WeakPolarHBondContact O-CG 3.47Å; E142-M146 PolarHBondContact O-N 3.25Å; E143-M146 PolarHBondContact O-N 2.98Å; M146-K149 CarbonylContact O-C 3.55Å; M146-K149 PolarHBondContact O-N 3.07Å; M146-K149 HydrophobicContact SD-CD 3.97Å; M146-S150 WeakPolarHBondContact O-CB 3.35Å; M146-S150 PolarHBondContact O-N 2.83Å; M146-S150 PolarHBondContact O-OG 2.95Å; M146-S150 VanDerWaalsContact O-OG 3.13Å |
| 147 | L | 76.5 | Confident | 79.4 | Confident | 107 Ų | 107 | 98.7 Ų | 98.7 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.6 | -38.9 | 172.8 | -73.2 | 169.3 | 0 | 0 | 0 | 111.8 | E143 S150 S151 | E143-L147 WeakPolarHBondContact O-CB 3.35Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.45Å; E143-L147 PolarHBondContact O-N 3.34Å; L147-S150 WeakPolarHBondContact CA-OG 3.49Å; L147-S150 PolarHBondContact O-N 3.31Å; L147-S150 PolarHBondContact O-OG 3.19Å; L147-S151 VanDerWaalsContact O-CB 3.26Å; L147-S151 WeakPolarHBondContact O-CB 3.45Å; L147-S151 PolarHBondContact O-N 3.4Å; L147-S151 PolarHBondContact O-OG 3.47Å |
| 148 | R | 75.4 | Confident | 79.2 | Confident | 172 Ų | 172 | 101.1 Ų | 101.1 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 171.3 | -71.5 | 169.7 | -171.1 | -166.9 | 2.3 | 111.5 | N144 S150 F152 | N144-R148 WeakPolarHBondContact O-CB 3.38Å; N144-R148 VanDerWaalsContact O-CG 3.23Å; N144-R148 WeakPolarHBondContact O-CG 3.01Å; N144-R148 PolarHBondContact O-N 2.68Å; R148-S150 PolarHBondContact O-N 2.98Å; R148-F152 PolarHBondContact O-N 2.87Å |
| 149 | K | 75.1 | Confident | 78.9 | Confident | 123 Ų | 123 | 102.2 Ų | 102.2 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -28.3 | 175 | -72.1 | 166.1 | -176.2 | 172 | 0 | 113.7 | Q145 M146 P153 | Q145-K149 WeakPolarHBondContact O-CB 3.48Å; Q145-K149 VanDerWaalsContact O-CG 3.23Å; Q145-K149 WeakPolarHBondContact O-CG 3.42Å; Q145-K149 PolarHBondContact O-N 3.26Å; Q145-K149 VanDerWaalsContact OE1-CE 3.29Å; M146-K149 CarbonylContact O-C 3.55Å; M146-K149 PolarHBondContact O-N 3.07Å; M146-K149 HydrophobicContact SD-CD 3.97Å; K149-P153 WeakPolarHBondContact O-CD 3.35Å |
| 150 | S | 66.7 | Low | 78.7 | Confident | 75 Ų | 75 | 104 Ų | 104 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -96.9 | -23.6 | -176.1 | 69 | 0 | 0 | 0 | 0 | 114.6 | M146 L147 R148 P153 | M146-S150 WeakPolarHBondContact O-CB 3.35Å; M146-S150 PolarHBondContact O-N 2.83Å; M146-S150 PolarHBondContact O-OG 2.95Å; M146-S150 VanDerWaalsContact O-OG 3.13Å; L147-S150 WeakPolarHBondContact CA-OG 3.49Å; L147-S150 PolarHBondContact O-N 3.31Å; L147-S150 PolarHBondContact O-OG 3.19Å; R148-S150 PolarHBondContact O-N 2.98Å; S150-P153 VanDerWaalsContact C-CD 3.41Å; S150-P153 WeakPolarHBondContact O-CD 3.42Å |
| 151 | S | 61.3 | Low | 78.7 | Confident | 65 Ų | 65 | 105.9 Ų | 105.9 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -83.3 | -29.5 | 176.2 | 55.9 | 0 | 0 | 0 | 0 | 114 | L147 P153 | L147-S151 VanDerWaalsContact O-CB 3.26Å; L147-S151 WeakPolarHBondContact O-CB 3.45Å; L147-S151 PolarHBondContact O-N 3.4Å; L147-S151 PolarHBondContact O-OG 3.47Å; S151-P153 VanDerWaalsContact C-CD 3.42Å |
| 152 | F | 54.4 | Low | 78.8 | Confident | 136 Ų | 136 | 103.7 Ų | 103.7 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -81 | -23.4 | -179.4 | -89.1 | -101.6 | 0 | 0 | 0 | 118.8 | R148 E154 T155 E156 | R148-F152 PolarHBondContact O-N 2.87Å; F152-E154 VanDerWaalsContact C-N 3.32Å; F152-E154 PolarHBondContact O-N 3.1Å; F152-T155 PolarHBondContact O-N 2.95Å; F152-T155 PolarHBondContact O-OG1 3.46Å; F152-E156 VanDerWaalsContact O-CB 3.26Å; F152-E156 WeakPolarHBondContact O-CB 3.35Å; F152-E156 PolarHBondContact O-N 3.24Å |
| 153 | P | 63.8 | Low | 78.9 | Confident | 61 Ų | 61 | 104.4 Ų | 104.4 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -33 | -172.3 | 28.4 | -31.6 | 0 | 0 | 0 | 111.4 | K149 S150 S151 E157 | K149-P153 WeakPolarHBondContact O-CD 3.35Å; S150-P153 VanDerWaalsContact C-CD 3.41Å; S150-P153 WeakPolarHBondContact O-CD 3.42Å; S151-P153 VanDerWaalsContact C-CD 3.42Å; P153-E157 WeakPolarHBondContact O-CB 3.14Å; P153-E157 WeakPolarHBondContact O-CG 3.44Å; P153-E157 PolarHBondContact O-N 2.73Å |
| 154 | E | 65.6 | Low | 79.2 | Confident | 123 Ų | 123 | 105.9 Ų | 105.9 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -44.2 | 174.3 | -80.8 | -143.3 | 172.2 | 0 | 0 | 113.2 | F152 E157 K158 | F152-E154 VanDerWaalsContact C-N 3.32Å; F152-E154 PolarHBondContact O-N 3.1Å; E154-E157 PolarHBondContact O-N 3.09Å; E154-K158 WeakPolarHBondContact O-CB 3.48Å; E154-K158 VanDerWaalsContact O-CD 3.27Å; E154-K158 WeakPolarHBondContact O-CD 3.4Å; E154-K158 WeakPolarHBondContact O-CG 3.37Å; E154-K158 PolarHBondContact O-N 2.93Å; E154-K158 WeakPolarHBondContact OE2-CE 3.29Å; E154-K158 IonicContact OE2-NZ 3.75Å; E154-K158 PolarHBondContact OE2-NZ 2.94Å |
| 155 | T | 73.1 | Confident | 79.7 | Confident | 66 Ų | 66 | 108.5 Ų | 108.5 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | -179.7 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | F152 K158 V159 | F152-T155 PolarHBondContact O-N 2.95Å; F152-T155 PolarHBondContact O-OG1 3.46Å; T155-K158 WeakPolarHBondContact O-CB 3.39Å; T155-K158 PolarHBondContact O-N 3.23Å; T155-V159 WeakPolarHBondContact O-CG2 3.49Å; T155-V159 PolarHBondContact O-N 3.41Å |
| 156 | E | 77.3 | Confident | 80.2 | Confident | 95 Ų | 95 | 108.5 Ų | 108.5 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 173.4 | -155.7 | -166.2 | -169.4 | 0 | 0 | 112.1 | F152 V159 R160 | F152-E156 VanDerWaalsContact O-CB 3.26Å; F152-E156 WeakPolarHBondContact O-CB 3.35Å; F152-E156 PolarHBondContact O-N 3.24Å; E156-V159 PolarHBondContact O-N 2.8Å; E156-R160 WeakPolarHBondContact O-CB 3.34Å; E156-R160 WeakPolarHBondContact O-CG 3.4Å; E156-R160 PolarHBondContact O-N 2.87Å; E156-R160 IonicContact OE1-CZ 2.7Å; E156-R160 IonicContact OE1-NH1 3.6Å; E156-R160 IonicContact OE1-NH2 2.77Å; E156-R160 PolarHBondContact OE1-NH2 2.96Å; E156-R160 IonicContact OE2-CZ 3.75Å; E156-R160 IonicContact OE2-NH1 2.94Å; E156-R160 PolarHBondContact OE2-NH1 2.79Å; E156-R160 IonicContact OE2-NH2 3.61Å; E156-R160 PolarHBondContact OE2-NH2 3.39Å |
| 157 | E | 82.2 | Confident | 80.9 | Confident | 78 Ų | 78 | 105.8 Ų | 105.8 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 168.9 | -93.6 | -113.1 | -130 | 0 | 0 | 112 | P153 E154 V159 R160 R161 | P153-E157 WeakPolarHBondContact O-CB 3.14Å; P153-E157 WeakPolarHBondContact O-CG 3.44Å; P153-E157 PolarHBondContact O-N 2.73Å; E154-E157 PolarHBondContact O-N 3.09Å; E157-V159 VanDerWaalsContact C-N 3.34Å; E157-V159 PolarHBondContact O-N 2.77Å; E157-R160 PolarHBondContact O-N 2.82Å; E157-R161 VanDerWaalsContact CD-NH2 3.29Å; E157-R161 WeakPolarHBondContact O-CB 3.48Å; E157-R161 WeakPolarHBondContact O-CD 3.43Å; E157-R161 WeakPolarHBondContact O-CG 3.41Å; E157-R161 PolarHBondContact O-N 3.43Å; E157-R161 IonicContact OE1-NH2 3.22Å; E157-R161 PolarHBondContact OE1-NH2 2.82Å; E157-R161 VanDerWaalsContact OE1-NH2 3.16Å; E157-R161 IonicContact OE2-CZ 3.82Å; E157-R161 IonicContact OE2-NE 2.71Å; E157-R161 PolarHBondContact OE2-NE 3.32Å; E157-R161 IonicContact OE2-NH2 3.89Å; E157-R161 PolarHBondContact OE2-NH2 3.39Å |
| 158 | K | 86.8 | Confident | 81.9 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 176.1 | -72.4 | 157.7 | -167.9 | 166.6 | 0 | 110.1 | E154 T155 R161 L162 | E154-K158 WeakPolarHBondContact O-CB 3.48Å; E154-K158 VanDerWaalsContact O-CD 3.27Å; E154-K158 WeakPolarHBondContact O-CD 3.4Å; E154-K158 WeakPolarHBondContact O-CG 3.37Å; E154-K158 PolarHBondContact O-N 2.93Å; E154-K158 WeakPolarHBondContact OE2-CE 3.29Å; E154-K158 IonicContact OE2-NZ 3.75Å; E154-K158 PolarHBondContact OE2-NZ 2.94Å; T155-K158 WeakPolarHBondContact O-CB 3.39Å; T155-K158 PolarHBondContact O-N 3.23Å; K158-R161 PolarHBondContact O-N 3.39Å; K158-L162 WeakPolarHBondContact O-CG 3.2Å; K158-L162 PolarHBondContact O-N 2.85Å |
| 159 | V | 88.4 | Confident | 82.9 | Confident | 69 Ų | 69 | 103.5 Ų | 103.5 | 42% | 0.418 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 172.9 | 170.5 | 0 | 0 | 0 | 0 | 112 | T155 E156 E157 R161 L162 K163 | T155-V159 WeakPolarHBondContact O-CG2 3.49Å; T155-V159 PolarHBondContact O-N 3.41Å; E156-V159 PolarHBondContact O-N 2.8Å; E157-V159 VanDerWaalsContact C-N 3.34Å; E157-V159 PolarHBondContact O-N 2.77Å; V159-R161 PolarHBondContact O-N 3.06Å; V159-L162 PolarHBondContact O-N 3.33Å; V159-K163 HydrophobicContact CG1-CD 4.21Å; V159-K163 HydrophobicContact CG1-CG 4.41Å; V159-K163 WeakPolarHBondContact O-CG 3.37Å; V159-K163 PolarHBondContact O-N 3.48Å |
| 160 | R | 89.7 | Confident | 83.9 | Confident | 118 Ų | 118 | 100 Ų | 100 | 45% | 0.445 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -30.8 | 175.2 | -73.9 | -177 | -174.8 | 106.9 | -0.2 | 112.2 | E156 E157 R164 | E156-R160 WeakPolarHBondContact O-CB 3.34Å; E156-R160 WeakPolarHBondContact O-CG 3.4Å; E156-R160 PolarHBondContact O-N 2.87Å; E156-R160 IonicContact OE1-CZ 2.7Å; E156-R160 IonicContact OE1-NH1 3.6Å; E156-R160 IonicContact OE1-NH2 2.77Å; E156-R160 PolarHBondContact OE1-NH2 2.96Å; E156-R160 IonicContact OE2-CZ 3.75Å; E156-R160 IonicContact OE2-NH1 2.94Å; E156-R160 PolarHBondContact OE2-NH1 2.79Å; E156-R160 IonicContact OE2-NH2 3.61Å; E156-R160 PolarHBondContact OE2-NH2 3.39Å; E157-R160 PolarHBondContact O-N 2.82Å; R160-R164 WeakPolarHBondContact O-CG 3.46Å; R160-R164 PolarHBondContact O-N 2.88Å; R160-R164 PolarHBondContact O-NE 2.82Å |
| 161 | R | 92.3 | Very high | 85.3 | Confident | 134 Ų | 134 | 100.1 Ų | 100.1 | 51% | 0.506 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.1 | -38.7 | 175.2 | -71.5 | 165 | -170.2 | -122.5 | 4.2 | 111.5 | E157 K158 V159 R164 K165 | E157-R161 VanDerWaalsContact CD-NH2 3.29Å; E157-R161 WeakPolarHBondContact O-CB 3.48Å; E157-R161 WeakPolarHBondContact O-CD 3.43Å; E157-R161 WeakPolarHBondContact O-CG 3.41Å; E157-R161 PolarHBondContact O-N 3.43Å; E157-R161 IonicContact OE1-NH2 3.22Å; E157-R161 PolarHBondContact OE1-NH2 2.82Å; E157-R161 VanDerWaalsContact OE1-NH2 3.16Å; E157-R161 IonicContact OE2-CZ 3.82Å; E157-R161 IonicContact OE2-NE 2.71Å; E157-R161 PolarHBondContact OE2-NE 3.32Å; E157-R161 IonicContact OE2-NH2 3.89Å; E157-R161 PolarHBondContact OE2-NH2 3.39Å; K158-R161 PolarHBondContact O-N 3.39Å; V159-R161 PolarHBondContact O-N 3.06Å; R161-R164 PolarHBondContact O-N 3.47Å; R161-K165 WeakPolarHBondContact O-CG 3.35Å; R161-K165 PolarHBondContact O-N 3.32Å |
| 162 | L | 93.8 | Very high | 87 | Confident | 109 Ų | 109 | 101.4 Ų | 101.4 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.7 | -45.3 | 173 | -72.7 | 169.1 | 0 | 0 | 0 | 111.8 | K158 V159 R164 K165 N166 | K158-L162 WeakPolarHBondContact O-CG 3.2Å; K158-L162 PolarHBondContact O-N 2.85Å; V159-L162 PolarHBondContact O-N 3.33Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 2.88Å; L162-K165 PolarHBondContact O-N 2.84Å; L162-N166 WeakPolarHBondContact O-CB 3.48Å; L162-N166 PolarHBondContact O-N 3.35Å |
| 163 | K | 93.3 | Very high | 88.9 | Confident | 153 Ų | 153 | 96.9 Ų | 96.9 | 67% | 0.665 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -56.9 | -42.4 | 174.3 | -72.8 | -177.4 | 177.5 | -175.1 | 0 | 111.9 | V159 N166 A167 | V159-K163 HydrophobicContact CG1-CD 4.21Å; V159-K163 HydrophobicContact CG1-CG 4.41Å; V159-K163 WeakPolarHBondContact O-CG 3.37Å; V159-K163 PolarHBondContact O-N 3.48Å; K163-N166 PolarHBondContact O-N 2.9Å; K163-A167 PolarHBondContact O-N 3.27Å |
| 164 | R | 95.9 | Very high | 90.5 | Very high | 131 Ų | 131 | 100.6 Ų | 100.6 | 49% | 0.494 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 172.9 | -81.3 | 174.2 | -77.8 | 177.8 | -7.3 | 112.8 | R160 R161 L162 N166 A167 E168 | R160-R164 WeakPolarHBondContact O-CG 3.46Å; R160-R164 PolarHBondContact O-N 2.88Å; R160-R164 PolarHBondContact O-NE 2.82Å; R161-R164 PolarHBondContact O-N 3.47Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 2.88Å; R164-N166 VanDerWaalsContact C-N 3.3Å; R164-N166 PolarHBondContact O-N 3.5Å; R164-A167 PolarHBondContact O-N 3.45Å; R164-E168 WeakPolarHBondContact O-CG 3.18Å; R164-E168 PolarHBondContact O-N 3.34Å |
| 165 | K | 96.4 | Very high | 92 | Very high | 129 Ų | 129 | 102.3 Ų | 102.3 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -39.2 | 175.1 | -76.6 | -178.9 | 174 | -173.5 | 0 | 112.6 | R161 L162 E168 L169 | R161-K165 WeakPolarHBondContact O-CG 3.35Å; R161-K165 PolarHBondContact O-N 3.32Å; L162-K165 PolarHBondContact O-N 2.84Å; K165-E168 PolarHBondContact O-N 3.32Å; K165-L169 WeakPolarHBondContact O-CB 3.47Å; K165-L169 VanDerWaalsContact O-CG 3.3Å; K165-L169 WeakPolarHBondContact O-CG 3.41Å; K165-L169 PolarHBondContact O-N 2.91Å |
| 166 | N | 95.4 | Very high | 93.1 | Very high | 111 Ų | 111 | 104 Ų | 104 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67 | -41.3 | 179.3 | -160 | -6 | 0 | 0 | 0 | 111 | L162 K163 R164 L169 A170 | L162-N166 WeakPolarHBondContact O-CB 3.48Å; L162-N166 PolarHBondContact O-N 3.35Å; K163-N166 PolarHBondContact O-N 2.9Å; R164-N166 VanDerWaalsContact C-N 3.3Å; R164-N166 PolarHBondContact O-N 3.5Å; N166-L169 PolarHBondContact O-N 2.91Å; N166-A170 WeakPolarHBondContact O-CB 3.32Å; N166-A170 PolarHBondContact O-N 2.94Å |
| 167 | A | 96.6 | Very high | 94 | Very high | 59 Ų | 59 | 103.6 Ų | 103.6 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | K163 R164 A170 V171 | K163-A167 PolarHBondContact O-N 3.27Å; R164-A167 PolarHBondContact O-N 3.45Å; A167-A170 PolarHBondContact O-N 3.14Å; A167-V171 WeakPolarHBondContact O-CG2 3.27Å; A167-V171 PolarHBondContact O-N 2.9Å; A167-V171 VanDerWaalsContact O-N 3.09Å |
| 168 | E | 96.3 | Very high | 94.6 | Very high | 123 Ų | 123 | 104.4 Ų | 104.4 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 173.1 | -72.8 | 172 | -166.1 | 0 | 0 | 111.7 | R164 K165 V171 I172 | R164-E168 WeakPolarHBondContact O-CG 3.18Å; R164-E168 PolarHBondContact O-N 3.34Å; K165-E168 PolarHBondContact O-N 3.32Å; E168-V171 PolarHBondContact O-N 3.34Å; E168-I172 VanDerWaalsContact O-CG1 3.32Å; E168-I172 WeakPolarHBondContact O-CG1 3.45Å; E168-I172 PolarHBondContact O-N 2.88Å |
| 169 | L | 96.9 | Very high | 95 | Very high | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 175.8 | -73.2 | 169.7 | 0 | 0 | 0 | 112.2 | K165 N166 V171 I172 A173 | K165-L169 WeakPolarHBondContact O-CB 3.47Å; K165-L169 VanDerWaalsContact O-CG 3.3Å; K165-L169 WeakPolarHBondContact O-CG 3.41Å; K165-L169 PolarHBondContact O-N 2.91Å; N166-L169 PolarHBondContact O-N 2.91Å; L169-V171 VanDerWaalsContact C-N 3.31Å; L169-V171 PolarHBondContact O-N 2.7Å; L169-I172 CarbonylContact O-C 3.6Å; L169-I172 PolarHBondContact O-N 2.89Å; L169-I172 VanDerWaalsContact O-N 3.09Å; L169-A173 WeakPolarHBondContact O-CB 3.44Å; L169-A173 PolarHBondContact O-N 3.3Å |
| 170 | A | 96.2 | Very high | 95.3 | Very high | 49 Ų | 49 | 106.3 Ų | 106.3 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N166 A167 K174 | N166-A170 WeakPolarHBondContact O-CB 3.32Å; N166-A170 PolarHBondContact O-N 2.94Å; A167-A170 PolarHBondContact O-N 3.14Å; A170-K174 PolarHBondContact O-N 3.4Å; A170-K174 VanDerWaalsContact O-N 3.07Å |
| 171 | V | 97 | Very high | 95.5 | Very high | 79 Ų | 79 | 108.4 Ų | 108.4 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -33.6 | 173.1 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | A167 E168 L169 R175 | A167-V171 WeakPolarHBondContact O-CG2 3.27Å; A167-V171 PolarHBondContact O-N 2.9Å; A167-V171 VanDerWaalsContact O-N 3.09Å; E168-V171 PolarHBondContact O-N 3.34Å; L169-V171 VanDerWaalsContact C-N 3.31Å; L169-V171 PolarHBondContact O-N 2.7Å; V171-R175 WeakPolarHBondContact O-CB 3.21Å; V171-R175 WeakPolarHBondContact O-CD 3.28Å; V171-R175 WeakPolarHBondContact O-CG 3.48Å; V171-R175 PolarHBondContact O-N 3.29Å |
| 172 | I | 95.9 | Very high | 95.6 | Very high | 91 Ų | 91 | 107.5 Ų | 107.5 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.9 | -44.5 | 173.8 | -69 | 163.7 | 0 | 0 | 0 | 110.7 | E168 L169 R175 L176 | E168-I172 VanDerWaalsContact O-CG1 3.32Å; E168-I172 WeakPolarHBondContact O-CG1 3.45Å; E168-I172 PolarHBondContact O-N 2.88Å; L169-I172 CarbonylContact O-C 3.6Å; L169-I172 PolarHBondContact O-N 2.89Å; L169-I172 VanDerWaalsContact O-N 3.09Å; I172-R175 PolarHBondContact O-N 2.79Å; I172-L176 HydrophobicContact CG2-CD1 4.03Å; I172-L176 HydrophobicContact CG2-CG 4.45Å; I172-L176 WeakPolarHBondContact O-CG 3.35Å; I172-L176 PolarHBondContact O-N 2.98Å |
| 173 | A | 95.1 | Very high | 95.6 | Very high | 42 Ų | 42 | 107.3 Ų | 107.3 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.9 | -53.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L169 R175 L176 E177 | L169-A173 WeakPolarHBondContact O-CB 3.44Å; L169-A173 PolarHBondContact O-N 3.3Å; A173-R175 VanDerWaalsContact C-N 3.26Å; A173-R175 PolarHBondContact O-N 3.4Å; A173-L176 CarbonylContact O-C 3.54Å; A173-L176 WeakPolarHBondContact O-CA 3.25Å; A173-L176 WeakPolarHBondContact O-CB 3.49Å; A173-L176 PolarHBondContact O-N 2.98Å; A173-E177 WeakPolarHBondContact O-CG 3.24Å; A173-E177 PolarHBondContact O-N 2.87Å |
| 174 | K | 96.4 | Very high | 95.4 | Very high | 139 Ų | 139 | 105.6 Ų | 105.6 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.7 | -37.8 | 175.9 | -71.8 | -170.5 | 175.5 | -168.2 | 0 | 113 | A170 L176 E177 E178 | A170-K174 PolarHBondContact O-N 3.4Å; A170-K174 VanDerWaalsContact O-N 3.07Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 2.82Å; K174-E177 PolarHBondContact O-N 3.44Å; K174-E178 WeakPolarHBondContact O-CB 3.37Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3.49Å |
| 175 | R | 97.2 | Very high | 95 | Very high | 158 Ų | 158 | 103.5 Ų | 103.5 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.2 | -25.7 | 175.2 | -74.3 | 172 | 177.6 | -144.7 | -3.4 | 113.8 | V171 I172 A173 R179 | V171-R175 WeakPolarHBondContact O-CB 3.21Å; V171-R175 WeakPolarHBondContact O-CD 3.28Å; V171-R175 WeakPolarHBondContact O-CG 3.48Å; V171-R175 PolarHBondContact O-N 3.29Å; I172-R175 PolarHBondContact O-N 2.79Å; A173-R175 VanDerWaalsContact C-N 3.26Å; A173-R175 PolarHBondContact O-N 3.4Å; R175-R179 WeakPolarHBondContact O-CB 3.47Å; R175-R179 VanDerWaalsContact O-CD 3.31Å; R175-R179 WeakPolarHBondContact O-CD 3.33Å; R175-R179 WeakPolarHBondContact O-CG 3.39Å; R175-R179 PolarHBondContact O-N 2.86Å |
| 176 | L | 96.4 | Very high | 94.4 | Very high | 102 Ų | 102 | 100.7 Ų | 100.7 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -79.2 | -41.5 | 172.1 | -68.5 | 171.7 | 0 | 0 | 0 | 110.7 | I172 A173 K174 R179 A180 | I172-L176 HydrophobicContact CG2-CD1 4.03Å; I172-L176 HydrophobicContact CG2-CG 4.45Å; I172-L176 WeakPolarHBondContact O-CG 3.35Å; I172-L176 PolarHBondContact O-N 2.98Å; A173-L176 CarbonylContact O-C 3.54Å; A173-L176 WeakPolarHBondContact O-CA 3.25Å; A173-L176 WeakPolarHBondContact O-CB 3.49Å; A173-L176 PolarHBondContact O-N 2.98Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 2.82Å; L176-R179 PolarHBondContact O-N 3.4Å; L176-A180 WeakPolarHBondContact O-CB 3.48Å; L176-A180 PolarHBondContact O-N 3.32Å |
| 177 | E | 95.1 | Very high | 93.8 | Very high | 86 Ų | 86 | 100.2 Ų | 100.2 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 171.6 | -67.9 | 163.7 | -131.9 | 0 | 0 | 111.7 | A173 K174 R179 A180 R181 | A173-E177 WeakPolarHBondContact O-CG 3.24Å; A173-E177 PolarHBondContact O-N 2.87Å; K174-E177 PolarHBondContact O-N 3.44Å; E177-R179 PolarHBondContact O-N 2.83Å; E177-A180 PolarHBondContact O-N 2.79Å; E177-R181 WeakPolarHBondContact O-CB 3.32Å; E177-R181 WeakPolarHBondContact O-CG 3.39Å; E177-R181 PolarHBondContact O-N 3.17Å; E177-R181 IonicContact OE2-NH2 2.57Å |
| 178 | E | 96.4 | Very high | 93.1 | Very high | 96 Ų | 96 | 102.7 Ų | 102.7 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.4 | -37.9 | 174.6 | -80.1 | 178.6 | -132.6 | 0 | 0 | 112.4 | K174 K182 | K174-E178 WeakPolarHBondContact O-CB 3.37Å; K174-E178 WeakPolarHBondContact O-CG 3.37Å; K174-E178 PolarHBondContact O-N 3.49Å; E178-K182 WeakPolarHBondContact O-CB 3.44Å; E178-K182 WeakPolarHBondContact O-CD 3.26Å; E178-K182 WeakPolarHBondContact O-CG 3.46Å; E178-K182 PolarHBondContact O-N 2.95Å; E178-K182 IonicContact OE2-NZ 2.66Å; E178-K182 PolarHBondContact OE2-NZ 3.44Å |
| 179 | R | 95.2 | Very high | 92.3 | Very high | 169 Ų | 169 | 104.9 Ų | 104.9 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.5 | -41.1 | 176.9 | -77.7 | 170.7 | 175 | -158.5 | -4.9 | 111.6 | R175 L176 E177 K182 L183 | R175-R179 WeakPolarHBondContact O-CB 3.47Å; R175-R179 VanDerWaalsContact O-CD 3.31Å; R175-R179 WeakPolarHBondContact O-CD 3.33Å; R175-R179 WeakPolarHBondContact O-CG 3.39Å; R175-R179 PolarHBondContact O-N 2.86Å; L176-R179 PolarHBondContact O-N 3.4Å; E177-R179 PolarHBondContact O-N 2.83Å; R179-K182 PolarHBondContact O-N 3.29Å; R179-L183 WeakPolarHBondContact O-CB 3.33Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.39Å; R179-L183 PolarHBondContact O-N 2.85Å |
| 180 | A | 93.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 105 Ų | 105 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L176 E177 L183 Q184 | L176-A180 WeakPolarHBondContact O-CB 3.48Å; L176-A180 PolarHBondContact O-N 3.32Å; E177-A180 PolarHBondContact O-N 2.79Å; A180-L183 PolarHBondContact O-N 3.31Å; A180-Q184 WeakPolarHBondContact O-CB 3.46Å; A180-Q184 VanDerWaalsContact O-CG 3.29Å; A180-Q184 WeakPolarHBondContact O-CG 3.23Å; A180-Q184 PolarHBondContact O-N 3.05Å |
| 181 | R | 94.1 | Very high | 89.7 | Confident | 162 Ų | 162 | 108.1 Ų | 108.1 | 61% | 0.611 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 174.5 | -69 | 178.3 | -164.4 | 173.9 | 9.2 | 111.9 | E177 L183 Q184 E185 | E177-R181 WeakPolarHBondContact O-CB 3.32Å; E177-R181 WeakPolarHBondContact O-CG 3.39Å; E177-R181 PolarHBondContact O-N 3.17Å; E177-R181 IonicContact OE2-NH2 2.57Å; R181-L183 VanDerWaalsContact C-N 3.34Å; R181-L183 PolarHBondContact O-N 3.34Å; R181-Q184 PolarHBondContact O-N 2.84Å; R181-E185 VanDerWaalsContact O-CB 3.29Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 3.34Å |
| 182 | K | 94.8 | Very high | 87.8 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 176 | -75 | 163.2 | -174.3 | 159.3 | 0 | 112.5 | E178 R179 T186 | E178-K182 WeakPolarHBondContact O-CB 3.44Å; E178-K182 WeakPolarHBondContact O-CD 3.26Å; E178-K182 WeakPolarHBondContact O-CG 3.46Å; E178-K182 PolarHBondContact O-N 2.95Å; E178-K182 IonicContact OE2-NZ 2.66Å; E178-K182 PolarHBondContact OE2-NZ 3.44Å; R179-K182 PolarHBondContact O-N 3.29Å; K182-T186 WeakPolarHBondContact O-CG2 3.38Å; K182-T186 PolarHBondContact O-N 3.48Å; K182-T186 PolarHBondContact O-OG1 2.91Å; K182-T186 VanDerWaalsContact O-OG1 3.11Å |
| 183 | L | 92.8 | Very high | 85.6 | Confident | 105 Ų | 105 | 106.5 Ų | 106.5 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 174.5 | -75 | 167.9 | 0 | 0 | 0 | 112 | R179 A180 R181 E185 T186 N187 | R179-L183 WeakPolarHBondContact O-CB 3.33Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.39Å; R179-L183 PolarHBondContact O-N 2.85Å; A180-L183 PolarHBondContact O-N 3.31Å; R181-L183 VanDerWaalsContact C-N 3.34Å; R181-L183 PolarHBondContact O-N 3.34Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-T186 WeakPolarHBondContact CA-OG1 3.38Å; L183-T186 PolarHBondContact O-N 3.3Å; L183-T186 PolarHBondContact O-OG1 2.91Å; L183-N187 WeakPolarHBondContact O-CB 3.44Å; L183-N187 PolarHBondContact O-N 3.39Å; L183-N187 PolarHBondContact O-ND2 3.49Å; L183-N187 PolarHBondContact O-OD1 3.07Å |
| 184 | Q | 89.2 | Confident | 83.5 | Confident | 117 Ų | 117 | 110.3 Ų | 110.3 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60 | -44.2 | 172.7 | -73.8 | 167.6 | -33.6 | 0 | 0 | 111 | A180 R181 N187 L188 | A180-Q184 WeakPolarHBondContact O-CB 3.46Å; A180-Q184 VanDerWaalsContact O-CG 3.29Å; A180-Q184 WeakPolarHBondContact O-CG 3.23Å; A180-Q184 PolarHBondContact O-N 3.05Å; R181-Q184 PolarHBondContact O-N 2.84Å; Q184-N187 PolarHBondContact O-N 3.46Å; Q184-L188 WeakPolarHBondContact O-CB 3.29Å; Q184-L188 PolarHBondContact O-N 2.92Å |
| 185 | E | 87.2 | Confident | 81.2 | Confident | 88 Ų | 88 | 111.1 Ų | 111.1 | 41% | 0.411 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -43.9 | 175.9 | -167.2 | -166.2 | 165.6 | 0 | 0 | 111.8 | R181 L183 L188 R189 | R181-E185 VanDerWaalsContact O-CB 3.29Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 3.34Å; L183-E185 VanDerWaalsContact C-N 3.34Å; E185-L188 PolarHBondContact O-N 3.15Å; E185-R189 WeakPolarHBondContact O-CB 3.42Å; E185-R189 VanDerWaalsContact O-CG 3.23Å; E185-R189 WeakPolarHBondContact O-CG 3.49Å; E185-R189 PolarHBondContact O-N 3.37Å; E185-R189 IonicContact OE1-CZ 3.08Å; E185-R189 IonicContact OE1-NE 3.18Å; E185-R189 PolarHBondContact OE1-NE 2.94Å; E185-R189 IonicContact OE1-NH2 2.68Å; E185-R189 PolarHBondContact OE1-NH2 3.46Å |
| 186 | T | 83.9 | Confident | 79 | Confident | 69 Ų | 69 | 109.1 Ų | 109.1 | 42% | 0.423 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.4 | -36.9 | 174.2 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | K182 L183 R189 V190 | K182-T186 WeakPolarHBondContact O-CG2 3.38Å; K182-T186 PolarHBondContact O-N 3.48Å; K182-T186 PolarHBondContact O-OG1 2.91Å; K182-T186 VanDerWaalsContact O-OG1 3.11Å; L183-T186 WeakPolarHBondContact CA-OG1 3.38Å; L183-T186 PolarHBondContact O-N 3.3Å; L183-T186 PolarHBondContact O-OG1 2.91Å; T186-R189 PolarHBondContact O-N 2.94Å; T186-V190 WeakPolarHBondContact O-CB 3.25Å; T186-V190 VanDerWaalsContact O-CG2 3.27Å; T186-V190 WeakPolarHBondContact O-CG2 3.37Å; T186-V190 PolarHBondContact O-N 2.92Å |
| 187 | N | 83.4 | Confident | 77 | Confident | 101 Ų | 101 | 115.9 Ų | 115.9 | 54% | 0.54 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.6 | -44.2 | 176.6 | -71.3 | -8.9 | 0 | 0 | 0 | 110.8 | L183 Q184 V190 V191 | L183-N187 WeakPolarHBondContact O-CB 3.44Å; L183-N187 PolarHBondContact O-N 3.39Å; L183-N187 PolarHBondContact O-ND2 3.49Å; L183-N187 PolarHBondContact O-OD1 3.07Å; Q184-N187 PolarHBondContact O-N 3.46Å; N187-V190 PolarHBondContact O-N 3Å; N187-V191 WeakPolarHBondContact O-CB 3.36Å; N187-V191 VanDerWaalsContact O-CG2 3.28Å; N187-V191 WeakPolarHBondContact O-CG2 3.39Å; N187-V191 PolarHBondContact O-N 3.25Å |
| 188 | L | 82.8 | Confident | 75.3 | Confident | 111 Ų | 111 | 117.7 Ų | 117.7 | 58% | 0.581 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.5 | -47.8 | 172 | -83 | 159.1 | 0 | 0 | 0 | 111.3 | Q184 E185 V190 V191 S192 | Q184-L188 WeakPolarHBondContact O-CB 3.29Å; Q184-L188 PolarHBondContact O-N 2.92Å; E185-L188 PolarHBondContact O-N 3.15Å; L188-V190 VanDerWaalsContact C-N 3.26Å; L188-V190 PolarHBondContact O-N 2.74Å; L188-V191 PolarHBondContact O-N 2.94Å; L188-S192 VanDerWaalsContact O-CB 3.23Å; L188-S192 WeakPolarHBondContact O-CB 3.31Å; L188-S192 PolarHBondContact O-N 3.15Å; L188-S192 PolarHBondContact O-OG 3.08Å; L188-S192 VanDerWaalsContact O-OG 3.13Å |
| 189 | R | 78.6 | Confident | 73.6 | Confident | 169 Ų | 169 | 115.3 Ų | 115.3 | 64% | 0.638 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.6 | -31.8 | 176 | -72.4 | 167.9 | 179.2 | -109 | 8.1 | 113.2 | E185 T186 A193 | E185-R189 WeakPolarHBondContact O-CB 3.42Å; E185-R189 VanDerWaalsContact O-CG 3.23Å; E185-R189 WeakPolarHBondContact O-CG 3.49Å; E185-R189 PolarHBondContact O-N 3.37Å; E185-R189 IonicContact OE1-CZ 3.08Å; E185-R189 IonicContact OE1-NE 3.18Å; E185-R189 PolarHBondContact OE1-NE 2.94Å; E185-R189 IonicContact OE1-NH2 2.68Å; E185-R189 PolarHBondContact OE1-NH2 3.46Å; T186-R189 PolarHBondContact O-N 2.94Å; R189-A193 WeakPolarHBondContact O-CB 3.47Å; R189-A193 PolarHBondContact O-N 2.81Å |
| 190 | V | 72.5 | Confident | 71.9 | Confident | 110 Ų | 110 | 112.7 Ų | 112.7 | 67% | 0.667 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -78.5 | -37.1 | 175.9 | 167.4 | 0 | 0 | 0 | 0 | 112.2 | T186 N187 L188 | T186-V190 WeakPolarHBondContact O-CB 3.25Å; T186-V190 VanDerWaalsContact O-CG2 3.27Å; T186-V190 WeakPolarHBondContact O-CG2 3.37Å; T186-V190 PolarHBondContact O-N 2.92Å; N187-V190 PolarHBondContact O-N 3Å; L188-V190 VanDerWaalsContact C-N 3.26Å; L188-V190 PolarHBondContact O-N 2.74Å |
| 191 | V | 66.9 | Low | 70.8 | Confident | 115 Ų | 115 | 114.1 Ų | 114.1 | 70% | 0.697 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.5 | -31.3 | 179.4 | 170.5 | 0 | 0 | 0 | 0 | 112.3 | N187 L188 | N187-V191 WeakPolarHBondContact O-CB 3.36Å; N187-V191 VanDerWaalsContact O-CG2 3.28Å; N187-V191 WeakPolarHBondContact O-CG2 3.39Å; N187-V191 PolarHBondContact O-N 3.25Å; L188-V191 PolarHBondContact O-N 2.94Å |
| 192 | S | 56.7 | Low | 70 | Confident | 88 Ų | 88 | 110.7 Ų | 110.7 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -90.6 | -2 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 114 | L188 | L188-S192 VanDerWaalsContact O-CB 3.23Å; L188-S192 WeakPolarHBondContact O-CB 3.31Å; L188-S192 PolarHBondContact O-N 3.15Å; L188-S192 PolarHBondContact O-OG 3.08Å; L188-S192 VanDerWaalsContact O-OG 3.13Å |
| 193 | A | 50.1 | Low | 69.1 | Low | 48 Ų | 48 | 108.8 Ų | 108.8 | 40% | 0.397 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -74 | 128.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | R189 L195 | R189-A193 WeakPolarHBondContact O-CB 3.47Å; R189-A193 PolarHBondContact O-N 2.81Å; A193-L195 PolarHBondContact O-N 3.29Å |
| 194 | P | 51.3 | Low | 68.6 | Low | 122 Ų | 122 | 109.5 Ų | 109.5 | 79% | 0.792 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.4 | 176.7 | -25.1 | 34.6 | 0 | 0 | 0 | 111.4 | P196 | P194-P196 WeakPolarHBondContact O-CD 3.25Š|
| 195 | L | 46.5 | Very low | 68.1 | Low | 157 Ų | 157 | 107.5 Ų | 107.5 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 117.9 | -174.2 | -98.8 | 73.3 | 0 | 0 | 0 | 112.2 | A193 | A193-L195 PolarHBondContact O-N 3.29Š|
| 196 | P | 52 | Low | 68 | Low | 116 Ų | 116 | 110.1 Ų | 110.1 | 75% | 0.753 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 137.5 | 163.2 | -9.1 | 27.2 | 0 | 0 | 0 | 109.1 | P194 | P194-P196 WeakPolarHBondContact O-CD 3.25Š|
| 197 | R | 53.9 | Low | 68.3 | Low | 244 Ų | 244 | 112.6 Ų | 112.6 | 92% | 0.921 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 141 | 174.2 | -80.7 | 179.8 | 168.9 | 157.5 | -4 | 110.7 | G199 | R197-G199 PolarHBondContact O-N 2.83Š|
| 198 | P | 59.8 | Low | 68.6 | Low | 124 Ų | 124 | 110.4 Ų | 110.4 | 81% | 0.805 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 119.6 | -172.2 | 28.6 | -34.7 | 0 | 0 | 0 | 112.1 | ||
| 199 | G | 60.2 | Low | 68.9 | Low | 45 Ų | 45 | 110.4 Ų | 110.4 | 46% | 0.464 | 61% | 0.613 | S | S | . | * | trans | -165.5 | 142.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R197 S201 | R197-G199 PolarHBondContact O-N 2.83Å; G199-S201 VanDerWaalsContact C-N 3.26Å; G199-S201 PolarHBondContact O-N 3.46Å | ||
| 200 | T | 59.7 | Low | 69.6 | Low | 114 Ų | 114 | 105.2 Ų | 105.2 | 70% | 0.699 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 56.4 | -55 | 177.5 | 72.8 | 0 | 0 | 0 | 0 | 118.2 | E203 L204 | T200-E203 PolarHBondContact O-N 3Å; T200-L204 WeakPolarHBondContact O-CG 3.45Å; T200-L204 PolarHBondContact O-N 2.99Å |
| 201 | S | 69.6 | Low | 70.6 | Confident | 77 Ų | 77 | 108.3 Ų | 108.3 | 54% | 0.538 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.9 | -48.1 | -170.4 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | G199 E203 L204 C205 | G199-S201 VanDerWaalsContact C-N 3.26Å; G199-S201 PolarHBondContact O-N 3.46Å; S201-E203 VanDerWaalsContact C-N 3.26Å; S201-E203 PolarHBondContact O-N 3.4Å; S201-L204 PolarHBondContact O-N 2.81Å; S201-C205 PolarHBondContact O-N 3.37Å; S201-C205 PolarHBondContact O-SG 3.06Å |
| 202 | L | 77.2 | Confident | 71.8 | Confident | 89 Ų | 89 | 106.4 Ų | 106.4 | 47% | 0.466 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.2 | -36.6 | 176.4 | -174.8 | 66.8 | 0 | 0 | 0 | 112 | C205 R206 | L202-C205 PolarHBondContact O-N 3.27Å; L202-R206 WeakPolarHBondContact O-CG 3.46Å; L202-R206 PolarHBondContact O-N 2.65Å |
| 203 | E | 77.8 | Confident | 73.5 | Confident | 76 Ų | 76 | 110.6 Ų | 110.6 | 36% | 0.355 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.8 | -35.3 | 178 | -75.4 | -55.1 | 125.4 | 0 | 0 | 112.7 | T200 S201 C205 R206 K207 | T200-E203 PolarHBondContact O-N 3Å; S201-E203 VanDerWaalsContact C-N 3.26Å; S201-E203 PolarHBondContact O-N 3.4Å; E203-C205 VanDerWaalsContact C-N 3.35Å; E203-R206 PolarHBondContact O-N 3.49Å; E203-R206 WeakPolarHBondContact OE1-CD 3.27Å; E203-R206 IonicContact OE1-CZ 3.59Å; E203-R206 IonicContact OE1-NE 3.14Å; E203-R206 IonicContact OE1-NH1 2.79Å; E203-R206 PolarHBondContact OE1-NH1 3.39Å; E203-K207 VanDerWaalsContact O-CB 3.3Å; E203-K207 WeakPolarHBondContact O-CB 3.37Å; E203-K207 WeakPolarHBondContact O-CD 3.31Å; E203-K207 WeakPolarHBondContact O-CG 3.43Å; E203-K207 PolarHBondContact O-N 3.35Å |
| 204 | L | 80.4 | Confident | 75.7 | Confident | 119 Ų | 119 | 111.2 Ų | 111.2 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.2 | -40.9 | 170 | -69.4 | 171 | 0 | 0 | 0 | 111 | T200 S201 K207 A208 | T200-L204 WeakPolarHBondContact O-CG 3.45Å; T200-L204 PolarHBondContact O-N 2.99Å; S201-L204 PolarHBondContact O-N 2.81Å; L204-K207 PolarHBondContact O-N 2.92Å; L204-A208 VanDerWaalsContact O-CB 3.29Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 3.45Å |
| 205 | C | 79.9 | Confident | 77.7 | Confident | 76 Ų | 76 | 111.9 Ų | 111.9 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.7 | -45.2 | 173.7 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | S201 L202 E203 K207 A208 L209 | S201-C205 PolarHBondContact O-N 3.37Å; S201-C205 PolarHBondContact O-SG 3.06Å; L202-C205 PolarHBondContact O-N 3.27Å; E203-C205 VanDerWaalsContact C-N 3.35Å; C205-K207 PolarHBondContact O-N 3.37Å; C205-A208 PolarHBondContact O-N 3.15Å; C205-L209 WeakPolarHBondContact O-CG 3.47Å; C205-L209 PolarHBondContact O-N 3.17Å |
| 206 | R | 85.7 | Confident | 80 | Confident | 142 Ų | 142 | 107.8 Ų | 107.8 | 54% | 0.536 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.3 | -46.3 | 174.6 | -76.6 | 166.4 | 169.1 | -178.2 | -4.4 | 111.6 | L202 E203 A208 L209 A210 | L202-R206 WeakPolarHBondContact O-CG 3.46Å; L202-R206 PolarHBondContact O-N 2.65Å; E203-R206 PolarHBondContact O-N 3.49Å; E203-R206 WeakPolarHBondContact OE1-CD 3.27Å; E203-R206 IonicContact OE1-CZ 3.59Å; E203-R206 IonicContact OE1-NE 3.14Å; E203-R206 IonicContact OE1-NH1 2.79Å; E203-R206 PolarHBondContact OE1-NH1 3.39Å; R206-A208 PolarHBondContact O-N 3.39Å; R206-L209 PolarHBondContact O-N 2.91Å; R206-A210 WeakPolarHBondContact O-CB 3.21Å; R206-A210 PolarHBondContact O-N 2.93Å |
| 207 | K | 90 | Very high | 82.1 | Confident | 121 Ų | 121 | 108 Ų | 108 | 53% | 0.526 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.5 | -34.4 | 177.3 | -70.9 | 167.8 | -174.2 | 177.9 | 0 | 112.4 | E203 L204 C205 R211 | E203-K207 VanDerWaalsContact O-CB 3.3Å; E203-K207 WeakPolarHBondContact O-CB 3.37Å; E203-K207 WeakPolarHBondContact O-CD 3.31Å; E203-K207 WeakPolarHBondContact O-CG 3.43Å; E203-K207 PolarHBondContact O-N 3.35Å; L204-K207 PolarHBondContact O-N 2.92Å; C205-K207 PolarHBondContact O-N 3.37Å; K207-R211 WeakPolarHBondContact O-CB 3.47Å; K207-R211 WeakPolarHBondContact O-CD 3.47Å; K207-R211 WeakPolarHBondContact O-CG 3.5Å; K207-R211 PolarHBondContact O-N 3.15Å |
| 208 | A | 88.3 | Confident | 84 | Confident | 56 Ų | 56 | 99.7 Ų | 99.7 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | L204 C205 R206 R211 Q212 | L204-A208 VanDerWaalsContact O-CB 3.29Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 3.45Å; C205-A208 PolarHBondContact O-N 3.15Å; R206-A208 PolarHBondContact O-N 3.39Å; A208-R211 PolarHBondContact O-N 3.46Å; A208-Q212 PolarHBondContact O-N 3.08Å |
| 209 | L | 90.1 | Very high | 85.6 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 176.3 | -71.1 | 169 | 0 | 0 | 0 | 112.3 | C205 R206 Q212 R213 | C205-L209 WeakPolarHBondContact O-CG 3.47Å; C205-L209 PolarHBondContact O-N 3.17Å; R206-L209 PolarHBondContact O-N 2.91Å; L209-Q212 PolarHBondContact O-N 2.86Å; L209-R213 WeakPolarHBondContact O-CG 3.25Å; L209-R213 PolarHBondContact O-N 3.48Å |
| 210 | A | 93.1 | Very high | 87.1 | Confident | 60 Ų | 60 | 101.1 Ų | 101.1 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R206 Q212 R213 A214 | R206-A210 WeakPolarHBondContact O-CB 3.21Å; R206-A210 PolarHBondContact O-N 2.93Å; A210-Q212 VanDerWaalsContact C-N 3.32Å; A210-Q212 PolarHBondContact O-N 3.28Å; A210-R213 PolarHBondContact O-N 3.09Å; A210-A214 WeakPolarHBondContact O-CB 3.47Å; A210-A214 PolarHBondContact O-N 3.39Å |
| 211 | R | 92.6 | Very high | 88.7 | Confident | 175 Ų | 175 | 97.9 Ų | 97.9 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -35 | 174.7 | -75.7 | 170.1 | 175.6 | -175.2 | -2.9 | 112.8 | K207 A208 R215 | K207-R211 WeakPolarHBondContact O-CB 3.47Å; K207-R211 WeakPolarHBondContact O-CD 3.47Å; K207-R211 WeakPolarHBondContact O-CG 3.5Å; K207-R211 PolarHBondContact O-N 3.15Å; A208-R211 PolarHBondContact O-N 3.46Å; R211-R215 WeakPolarHBondContact O-CG 3.44Å; R211-R215 PolarHBondContact O-N 3.33Å; R211-R215 VanDerWaalsContact O-N 3.16Å |
| 212 | Q | 92.6 | Very high | 89.9 | Confident | 75 Ų | 75 | 97.6 Ų | 97.6 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70 | -48.3 | 176 | -168.4 | 55.6 | 39.8 | 0 | 0 | 111.2 | A208 L209 A210 A214 R215 D216 | A208-Q212 PolarHBondContact O-N 3.08Å; L209-Q212 PolarHBondContact O-N 2.86Å; A210-Q212 VanDerWaalsContact C-N 3.32Å; A210-Q212 PolarHBondContact O-N 3.28Å; Q212-A214 PolarHBondContact O-N 2.88Å; Q212-R215 CarbonylContact O-C 3.59Å; Q212-R215 WeakPolarHBondContact O-CA 3.41Å; Q212-R215 WeakPolarHBondContact O-CB 3.44Å; Q212-R215 PolarHBondContact O-N 3.34Å; Q212-D216 PolarHBondContact NE2-OD1 3.49Å; Q212-D216 PolarHBondContact O-N 3.45Å |
| 213 | R | 93.7 | Very high | 90.8 | Very high | 177 Ų | 177 | 96 Ų | 96 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -54.8 | -40.7 | 174.3 | -71.2 | 173.2 | 178 | -175 | -1.9 | 112.5 | L209 A210 R215 D216 L217 | L209-R213 WeakPolarHBondContact O-CG 3.25Å; L209-R213 PolarHBondContact O-N 3.48Å; A210-R213 PolarHBondContact O-N 3.09Å; R213-R215 VanDerWaalsContact C-N 3.34Å; R213-R215 PolarHBondContact O-N 2.9Å; R213-D216 PolarHBondContact O-N 3.05Å; R213-L217 WeakPolarHBondContact O-CB 3.47Å; R213-L217 VanDerWaalsContact O-CG 3.25Å; R213-L217 WeakPolarHBondContact O-CG 3.19Å; R213-L217 PolarHBondContact O-N 3.28Å |
| 214 | A | 94.6 | Very high | 91.5 | Very high | 61 Ų | 61 | 97.8 Ų | 97.8 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A210 Q212 S218 | A210-A214 WeakPolarHBondContact O-CB 3.47Å; A210-A214 PolarHBondContact O-N 3.39Å; Q212-A214 PolarHBondContact O-N 2.88Å; A214-S218 WeakPolarHBondContact O-CB 3.34Å; A214-S218 PolarHBondContact O-N 2.76Å; A214-S218 PolarHBondContact O-OG 2.95Å |
| 215 | R | 94.3 | Very high | 92.2 | Very high | 135 Ų | 135 | 97 Ų | 97 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -50.9 | 172.5 | -69.8 | 165.2 | -179 | 163.5 | -4.4 | 111.3 | R211 Q212 R213 L217 S218 E219 | R211-R215 WeakPolarHBondContact O-CG 3.44Å; R211-R215 PolarHBondContact O-N 3.33Å; R211-R215 VanDerWaalsContact O-N 3.16Å; Q212-R215 CarbonylContact O-C 3.59Å; Q212-R215 WeakPolarHBondContact O-CA 3.41Å; Q212-R215 WeakPolarHBondContact O-CB 3.44Å; Q212-R215 PolarHBondContact O-N 3.34Å; R213-R215 VanDerWaalsContact C-N 3.34Å; R213-R215 PolarHBondContact O-N 2.9Å; R215-L217 PolarHBondContact O-N 2.95Å; R215-S218 WeakPolarHBondContact CA-OG 3.35Å; R215-S218 CarbonylContact O-C 3.58Å; R215-S218 WeakPolarHBondContact O-CA 3.36Å; R215-S218 PolarHBondContact O-N 3.03Å; R215-S218 PolarHBondContact O-OG 3.33Å; R215-E219 WeakPolarHBondContact O-CG 3.45Å; R215-E219 PolarHBondContact O-N 3.36Å |
| 216 | D | 94.8 | Very high | 93 | Very high | 72 Ų | 72 | 95.7 Ų | 95.7 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.3 | -39.4 | -179.4 | -50.4 | -32.8 | 0 | 0 | 0 | 111.4 | Q212 R213 T220 | Q212-D216 PolarHBondContact NE2-OD1 3.49Å; Q212-D216 PolarHBondContact O-N 3.45Å; R213-D216 PolarHBondContact O-N 3.05Å; D216-T220 WeakPolarHBondContact O-CG2 3.47Å; D216-T220 PolarHBondContact O-N 3.06Å; D216-T220 PolarHBondContact O-OG1 2.94Å |
| 217 | L | 95.2 | Very high | 93.3 | Very high | 121 Ų | 121 | 94.6 Ų | 94.6 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.8 | -40.2 | 173.3 | -70.7 | 171.1 | 0 | 0 | 0 | 112.8 | R213 R215 T220 A221 | R213-L217 WeakPolarHBondContact O-CB 3.47Å; R213-L217 VanDerWaalsContact O-CG 3.25Å; R213-L217 WeakPolarHBondContact O-CG 3.19Å; R213-L217 PolarHBondContact O-N 3.28Å; R215-L217 PolarHBondContact O-N 2.95Å; L217-T220 WeakPolarHBondContact CA-OG1 3.46Å; L217-T220 PolarHBondContact O-OG1 3.03Å; L217-T220 VanDerWaalsContact O-OG1 3.06Å; L217-A221 VanDerWaalsContact O-CB 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.38Å; L217-A221 PolarHBondContact O-N 3.33Å |
| 218 | S | 94 | Very high | 93.6 | Very high | 68 Ų | 68 | 92.9 Ų | 92.9 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 175.6 | 73.6 | 0 | 0 | 0 | 0 | 112.7 | A214 R215 S222 | A214-S218 WeakPolarHBondContact O-CB 3.34Å; A214-S218 PolarHBondContact O-N 2.76Å; A214-S218 PolarHBondContact O-OG 2.95Å; R215-S218 WeakPolarHBondContact CA-OG 3.35Å; R215-S218 CarbonylContact O-C 3.58Å; R215-S218 WeakPolarHBondContact O-CA 3.36Å; R215-S218 PolarHBondContact O-N 3.03Å; R215-S218 PolarHBondContact O-OG 3.33Å; S218-S222 WeakPolarHBondContact O-CB 3.28Å; S218-S222 PolarHBondContact O-N 2.75Å |
| 219 | E | 94.4 | Very high | 94 | Very high | 117 Ų | 117 | 97.7 Ų | 97.7 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -45.5 | 177.8 | -74.3 | 178.5 | -150.8 | 0 | 0 | 110.5 | R215 S222 A223 | R215-E219 WeakPolarHBondContact O-CG 3.45Å; R215-E219 PolarHBondContact O-N 3.36Å; E219-S222 PolarHBondContact O-N 3.23Å; E219-S222 PolarHBondContact O-OG 2.98Å; E219-A223 WeakPolarHBondContact O-CB 3.41Å; E219-A223 PolarHBondContact O-N 2.78Å |
| 220 | T | 91.4 | Very high | 94.3 | Very high | 82 Ų | 82 | 97.2 Ų | 97.2 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.8 | 46 | 0 | 0 | 0 | 0 | 112.3 | D216 L217 S222 A223 L224 | D216-T220 WeakPolarHBondContact O-CG2 3.47Å; D216-T220 PolarHBondContact O-N 3.06Å; D216-T220 PolarHBondContact O-OG1 2.94Å; L217-T220 WeakPolarHBondContact CA-OG1 3.46Å; L217-T220 PolarHBondContact O-OG1 3.03Å; L217-T220 VanDerWaalsContact O-OG1 3.06Å; T220-S222 PolarHBondContact O-N 3.25Å; T220-A223 PolarHBondContact O-N 3.47Å; T220-L224 WeakPolarHBondContact O-CG 3.43Å; T220-L224 PolarHBondContact O-N 3.47Å |
| 221 | A | 93.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 98.4 Ų | 98.4 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L217 A223 L224 L225 | L217-A221 VanDerWaalsContact O-CB 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.38Å; L217-A221 PolarHBondContact O-N 3.33Å; A221-A223 VanDerWaalsContact C-N 3.3Å; A221-A223 PolarHBondContact O-N 3.07Å; A221-L224 PolarHBondContact O-N 3.42Å; A221-L225 WeakPolarHBondContact O-CG 3.3Å; A221-L225 PolarHBondContact O-N 3.24Å |
| 222 | S | 95.4 | Very high | 94.3 | Very high | 70 Ų | 70 | 91.7 Ų | 91.7 | 49% | 0.49 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 176.3 | 84.3 | 0 | 0 | 0 | 0 | 112.6 | S218 E219 T220 A226 | S218-S222 WeakPolarHBondContact O-CB 3.28Å; S218-S222 PolarHBondContact O-N 2.75Å; E219-S222 PolarHBondContact O-N 3.23Å; E219-S222 PolarHBondContact O-OG 2.98Å; T220-S222 PolarHBondContact O-N 3.25Å; S222-A226 WeakPolarHBondContact O-CB 3.4Å; S222-A226 PolarHBondContact O-N 3.41Å |
| 223 | A | 94.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 89.8 Ų | 89.8 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.9 | -35.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E219 T220 A221 A226 K227 | E219-A223 WeakPolarHBondContact O-CB 3.41Å; E219-A223 PolarHBondContact O-N 2.78Å; T220-A223 PolarHBondContact O-N 3.47Å; A221-A223 VanDerWaalsContact C-N 3.3Å; A221-A223 PolarHBondContact O-N 3.07Å; A223-A226 PolarHBondContact O-N 2.81Å; A223-K227 WeakPolarHBondContact O-CG 3.39Å; A223-K227 PolarHBondContact O-N 3.44Å; A223-K227 VanDerWaalsContact O-N 3.07Å |
| 224 | L | 92.8 | Very high | 94.4 | Very high | 114 Ų | 114 | 86 Ų | 86 | 60% | 0.597 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.6 | -51.1 | 170.7 | -69.3 | 171.4 | 0 | 0 | 0 | 110.7 | T220 A221 A226 K227 D228 | T220-L224 WeakPolarHBondContact O-CG 3.43Å; T220-L224 PolarHBondContact O-N 3.47Å; A221-L224 PolarHBondContact O-N 3.42Å; L224-A226 PolarHBondContact O-N 2.99Å; L224-A226 VanDerWaalsContact O-N 3.15Å; L224-K227 CarbonylContact O-C 3.6Å; L224-K227 VanDerWaalsContact O-CA 3.3Å; L224-K227 WeakPolarHBondContact O-CA 3.31Å; L224-K227 VanDerWaalsContact O-CB 3.28Å; L224-K227 WeakPolarHBondContact O-CB 3.43Å; L224-K227 PolarHBondContact O-N 3.03Å; L224-D228 PolarHBondContact O-N 2.95Å |
| 225 | L | 95.6 | Very high | 94.2 | Very high | 104 Ų | 104 | 87.6 Ų | 87.6 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.9 | -30.2 | 176.3 | -68.5 | 172.7 | 0 | 0 | 0 | 113.1 | A221 K229 | A221-L225 WeakPolarHBondContact O-CG 3.3Å; A221-L225 PolarHBondContact O-N 3.24Å; L225-K229 WeakPolarHBondContact O-CB 3.18Å; L225-K229 VanDerWaalsContact O-CG 3.25Å; L225-K229 WeakPolarHBondContact O-CG 3.29Å; L225-K229 PolarHBondContact O-N 2.87Å; L225-K229 VanDerWaalsContact O-N 3.08Å |
| 226 | A | 96 | Very high | 94.2 | Very high | 48 Ų | 48 | 89.3 Ų | 89.3 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.5 | -29.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S222 A223 L224 Q230 | S222-A226 WeakPolarHBondContact O-CB 3.4Å; S222-A226 PolarHBondContact O-N 3.41Å; A223-A226 PolarHBondContact O-N 2.81Å; L224-A226 PolarHBondContact O-N 2.99Å; L224-A226 VanDerWaalsContact O-N 3.15Å; A226-Q230 WeakPolarHBondContact O-CG 3.33Å; A226-Q230 PolarHBondContact O-N 2.85Å |
| 227 | K | 93.3 | Very high | 94.1 | Very high | 119 Ų | 119 | 90.8 Ų | 90.8 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.7 | -42.1 | 171.1 | -73 | -75.3 | 154.2 | -160.2 | 0 | 111.9 | A223 L224 K229 Q230 I231 | A223-K227 WeakPolarHBondContact O-CG 3.39Å; A223-K227 PolarHBondContact O-N 3.44Å; A223-K227 VanDerWaalsContact O-N 3.07Å; L224-K227 CarbonylContact O-C 3.6Å; L224-K227 VanDerWaalsContact O-CA 3.3Å; L224-K227 WeakPolarHBondContact O-CA 3.31Å; L224-K227 VanDerWaalsContact O-CB 3.28Å; L224-K227 WeakPolarHBondContact O-CB 3.43Å; L224-K227 PolarHBondContact O-N 3.03Å; K227-K229 VanDerWaalsContact C-N 3.29Å; K227-K229 PolarHBondContact O-N 3.49Å; K227-Q230 CarbonylContact O-C 3.56Å; K227-Q230 WeakPolarHBondContact O-CA 3.21Å; K227-Q230 WeakPolarHBondContact O-CB 3.38Å; K227-Q230 PolarHBondContact O-N 2.79Å; K227-I231 WeakPolarHBondContact O-CG1 3.47Å; K227-I231 PolarHBondContact O-N 2.74Å |
| 228 | D | 94.5 | Very high | 93.7 | Very high | 84 Ų | 84 | 88.8 Ų | 88.8 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.6 | -57.4 | -37.2 | 0 | 0 | 0 | 111.2 | L224 Q230 I231 A232 | L224-D228 PolarHBondContact O-N 2.95Å; D228-Q230 VanDerWaalsContact C-N 3.34Å; D228-Q230 PolarHBondContact O-N 2.85Å; D228-I231 PolarHBondContact O-N 3.16Å; D228-A232 VanDerWaalsContact O-CB 3.31Å; D228-A232 WeakPolarHBondContact O-CB 3.21Å; D228-A232 PolarHBondContact O-N 2.71Å |
| 229 | K | 97.3 | Very high | 93.6 | Very high | 158 Ų | 158 | 93.3 Ų | 93.3 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -36.7 | 170.1 | -75 | 170.5 | -177.2 | 178.7 | 0 | 113 | L225 K227 A233 | L225-K229 WeakPolarHBondContact O-CB 3.18Å; L225-K229 VanDerWaalsContact O-CG 3.25Å; L225-K229 WeakPolarHBondContact O-CG 3.29Å; L225-K229 PolarHBondContact O-N 2.87Å; L225-K229 VanDerWaalsContact O-N 3.08Å; K227-K229 VanDerWaalsContact C-N 3.29Å; K227-K229 PolarHBondContact O-N 3.49Å; K229-A233 WeakPolarHBondContact O-CB 3.3Å; K229-A233 PolarHBondContact O-N 2.77Å |
| 230 | Q | 96.8 | Very high | 93.4 | Very high | 100 Ų | 100 | 92.4 Ų | 92.4 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 173.8 | -74.5 | 173.5 | -2 | 0 | 0 | 112 | A226 K227 D228 A233 L234 | A226-Q230 WeakPolarHBondContact O-CG 3.33Å; A226-Q230 PolarHBondContact O-N 2.85Å; K227-Q230 CarbonylContact O-C 3.56Å; K227-Q230 WeakPolarHBondContact O-CA 3.21Å; K227-Q230 WeakPolarHBondContact O-CB 3.38Å; K227-Q230 PolarHBondContact O-N 2.79Å; D228-Q230 VanDerWaalsContact C-N 3.34Å; D228-Q230 PolarHBondContact O-N 2.85Å; Q230-A233 PolarHBondContact O-N 3.06Å; Q230-L234 WeakPolarHBondContact O-CB 3.36Å; Q230-L234 VanDerWaalsContact O-CG 3.31Å; Q230-L234 WeakPolarHBondContact O-CG 3.46Å; Q230-L234 PolarHBondContact O-N 3.42Å |
| 231 | I | 91.4 | Very high | 93 | Very high | 85 Ų | 85 | 93.5 Ų | 93.5 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 175.3 | -67.1 | 163.9 | 0 | 0 | 0 | 110.1 | K227 D228 A233 L234 Q235 | K227-I231 WeakPolarHBondContact O-CG1 3.47Å; K227-I231 PolarHBondContact O-N 2.74Å; D228-I231 PolarHBondContact O-N 3.16Å; I231-A233 VanDerWaalsContact C-N 3.34Å; I231-A233 PolarHBondContact O-N 3.06Å; I231-L234 PolarHBondContact O-N 3.01Å; I231-Q235 HydrophobicContact CG2-CG 4.37Å; I231-Q235 WeakPolarHBondContact O-CB 3.38Å; I231-Q235 VanDerWaalsContact O-CG 3.27Å; I231-Q235 WeakPolarHBondContact O-CG 3.29Å; I231-Q235 PolarHBondContact O-N 3.2Å |
| 232 | A | 94.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 97.4 Ų | 97.4 | 28% | 0.281 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | D228 R236 | D228-A232 VanDerWaalsContact O-CB 3.31Å; D228-A232 WeakPolarHBondContact O-CB 3.21Å; D228-A232 PolarHBondContact O-N 2.71Å; A232-R236 WeakPolarHBondContact O-CD 3.25Å; A232-R236 VanDerWaalsContact O-CG 3.26Å; A232-R236 WeakPolarHBondContact O-CG 3.39Å; A232-R236 PolarHBondContact O-N 2.89Å; A232-R236 VanDerWaalsContact O-N 3.15Å |
| 233 | A | 95.1 | Very high | 91.8 | Very high | 35 Ų | 35 | 96.7 Ų | 96.7 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -51.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K229 Q230 I231 Q235 R236 E237 | K229-A233 WeakPolarHBondContact O-CB 3.3Å; K229-A233 PolarHBondContact O-N 2.77Å; Q230-A233 PolarHBondContact O-N 3.06Å; I231-A233 VanDerWaalsContact C-N 3.34Å; I231-A233 PolarHBondContact O-N 3.06Å; A233-Q235 VanDerWaalsContact C-N 3.28Å; A233-Q235 PolarHBondContact O-N 3.24Å; A233-R236 WeakPolarHBondContact O-CA 3.49Å; A233-R236 WeakPolarHBondContact O-CB 3.22Å; A233-R236 PolarHBondContact O-N 3.31Å; A233-E237 PolarHBondContact O-N 2.83Å |
| 234 | L | 93.9 | Very high | 91.2 | Very high | 96 Ų | 96 | 101 Ų | 101 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 176.9 | -70.4 | 168.7 | 0 | 0 | 0 | 112.5 | Q230 I231 R236 E237 C238 | Q230-L234 WeakPolarHBondContact O-CB 3.36Å; Q230-L234 VanDerWaalsContact O-CG 3.31Å; Q230-L234 WeakPolarHBondContact O-CG 3.46Å; Q230-L234 PolarHBondContact O-N 3.42Å; I231-L234 PolarHBondContact O-N 3.01Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-E237 PolarHBondContact O-N 3.46Å; L234-C238 WeakPolarHBondContact O-CB 3.44Å; L234-C238 PolarHBondContact O-N 3.33Å; L234-C238 PolarHBondContact O-SG 3.35Å |
| 235 | Q | 90.4 | Very high | 90 | Very high | 95 Ų | 95 | 101.4 Ų | 101.4 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -34 | 173.3 | -76.8 | 177.1 | 3.6 | 0 | 0 | 112.6 | I231 A233 R239 | I231-Q235 HydrophobicContact CG2-CG 4.37Å; I231-Q235 WeakPolarHBondContact O-CB 3.38Å; I231-Q235 VanDerWaalsContact O-CG 3.27Å; I231-Q235 WeakPolarHBondContact O-CG 3.29Å; I231-Q235 PolarHBondContact O-N 3.2Å; A233-Q235 VanDerWaalsContact C-N 3.28Å; A233-Q235 PolarHBondContact O-N 3.24Å; Q235-R239 WeakPolarHBondContact O-CB 3.43Å; Q235-R239 WeakPolarHBondContact O-CD 3.42Å; Q235-R239 WeakPolarHBondContact O-CG 3.36Å; Q235-R239 PolarHBondContact O-N 3.44Å |
| 236 | R | 93.4 | Very high | 88.7 | Confident | 172 Ų | 172 | 101.7 Ų | 101.7 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.2 | -45.2 | 172.1 | -69.3 | 163.7 | -171.6 | 169 | 1.8 | 110.7 | A232 A233 L234 C238 R239 E240 | A232-R236 WeakPolarHBondContact O-CD 3.25Å; A232-R236 VanDerWaalsContact O-CG 3.26Å; A232-R236 WeakPolarHBondContact O-CG 3.39Å; A232-R236 PolarHBondContact O-N 2.89Å; A232-R236 VanDerWaalsContact O-N 3.15Å; A233-R236 WeakPolarHBondContact O-CA 3.49Å; A233-R236 WeakPolarHBondContact O-CB 3.22Å; A233-R236 PolarHBondContact O-N 3.31Å; L234-R236 VanDerWaalsContact C-N 3.35Å; R236-C238 VanDerWaalsContact C-N 3.35Å; R236-C238 PolarHBondContact O-N 2.92Å; R236-R239 PolarHBondContact O-N 3.19Å; R236-E240 WeakPolarHBondContact O-CB 3.31Å; R236-E240 PolarHBondContact O-N 2.85Å |
| 237 | E | 93.1 | Very high | 87.2 | Confident | 102 Ų | 102 | 106.6 Ų | 106.6 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 174.6 | -70.4 | 170 | -149 | 0 | 0 | 111.3 | A233 L234 R239 E240 L241 | A233-E237 PolarHBondContact O-N 2.83Å; L234-E237 PolarHBondContact O-N 3.46Å; E237-R239 PolarHBondContact O-N 3.43Å; E237-E240 PolarHBondContact O-N 2.89Å; E237-L241 WeakPolarHBondContact O-CB 3.38Å; E237-L241 VanDerWaalsContact O-CG 3.23Å; E237-L241 WeakPolarHBondContact O-CG 3.39Å; E237-L241 PolarHBondContact O-N 3.35Å |
| 238 | C | 86.8 | Confident | 85.3 | Confident | 80 Ų | 80 | 105.4 Ų | 105.4 | 54% | 0.541 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.3 | -72.9 | 0 | 0 | 0 | 0 | 112.6 | L234 R236 Q242 | L234-C238 WeakPolarHBondContact O-CB 3.44Å; L234-C238 PolarHBondContact O-N 3.33Å; L234-C238 PolarHBondContact O-SG 3.35Å; R236-C238 VanDerWaalsContact C-N 3.35Å; R236-C238 PolarHBondContact O-N 2.92Å; C238-Q242 VanDerWaalsContact O-CB 3.25Å; C238-Q242 WeakPolarHBondContact O-CB 3.27Å; C238-Q242 PolarHBondContact O-N 3Å |
| 239 | R | 91.1 | Very high | 83.2 | Confident | 162 Ų | 162 | 104.5 Ų | 104.5 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.6 | -36.9 | 175.7 | -72.2 | 168.5 | -167.9 | 169.1 | 7.1 | 112.1 | Q235 R236 E237 Q242 A243 | Q235-R239 WeakPolarHBondContact O-CB 3.43Å; Q235-R239 WeakPolarHBondContact O-CD 3.42Å; Q235-R239 WeakPolarHBondContact O-CG 3.36Å; Q235-R239 PolarHBondContact O-N 3.44Å; R236-R239 PolarHBondContact O-N 3.19Å; E237-R239 PolarHBondContact O-N 3.43Å; R239-Q242 PolarHBondContact O-N 3.42Å; R239-A243 WeakPolarHBondContact O-CB 3.44Å; R239-A243 PolarHBondContact O-N 2.97Å |
| 240 | E | 89.9 | Confident | 81.2 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 46% | 0.458 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.4 | -41 | 177 | -163.4 | -165.9 | 137.2 | 0 | 0 | 111.2 | R236 E237 Q242 A243 R244 | R236-E240 WeakPolarHBondContact O-CB 3.31Å; R236-E240 PolarHBondContact O-N 2.85Å; E237-E240 PolarHBondContact O-N 2.89Å; E240-Q242 VanDerWaalsContact C-N 3.33Å; E240-A243 PolarHBondContact O-N 3.45Å; E240-R244 WeakPolarHBondContact O-CB 3.4Å; E240-R244 WeakPolarHBondContact O-CD 3.47Å; E240-R244 WeakPolarHBondContact O-CG 3.37Å; E240-R244 PolarHBondContact O-N 2.98Å; E240-R244 IonicContact OE1-CZ 4Å; E240-R244 IonicContact OE1-NE 3.03Å; E240-R244 PolarHBondContact OE1-NE 2.88Å; E240-R244 IonicContact OE1-NH2 2.62Å; E240-R244 PolarHBondContact OE1-NH2 2.88Å |
| 241 | L | 84.8 | Confident | 79.2 | Confident | 105 Ų | 105 | 109.7 Ų | 109.7 | 55% | 0.55 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -39.5 | 171.4 | -72.7 | 170.1 | 0 | 0 | 0 | 111.2 | E237 R244 L245 | E237-L241 WeakPolarHBondContact O-CB 3.38Å; E237-L241 VanDerWaalsContact O-CG 3.23Å; E237-L241 WeakPolarHBondContact O-CG 3.39Å; E237-L241 PolarHBondContact O-N 3.35Å; L241-R244 PolarHBondContact O-N 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.17Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.38Å; L241-L245 PolarHBondContact O-N 3.49Å |
| 242 | Q | 81.4 | Confident | 76.8 | Confident | 130 Ų | 130 | 108.5 Ų | 108.5 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -40.1 | 174.9 | -168 | 169.4 | 12.5 | 0 | 0 | 111.9 | C238 R239 E240 L245 T246 | C238-Q242 VanDerWaalsContact O-CB 3.25Å; C238-Q242 WeakPolarHBondContact O-CB 3.27Å; C238-Q242 PolarHBondContact O-N 3Å; R239-Q242 PolarHBondContact O-N 3.42Å; E240-Q242 VanDerWaalsContact C-N 3.33Å; Q242-L245 PolarHBondContact O-N 3.48Å; Q242-T246 PolarHBondContact O-N 2.92Å; Q242-T246 PolarHBondContact O-OG1 3.23Å |
| 243 | A | 81.8 | Confident | 74.8 | Confident | 54 Ų | 54 | 113.1 Ų | 113.1 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.2 | -39.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R239 E240 T246 L247 | R239-A243 WeakPolarHBondContact O-CB 3.44Å; R239-A243 PolarHBondContact O-N 2.97Å; E240-A243 PolarHBondContact O-N 3.45Å; A243-T246 WeakPolarHBondContact CA-OG1 3.41Å; A243-T246 PolarHBondContact O-N 3.32Å; A243-T246 PolarHBondContact O-OG1 3.16Å; A243-L247 WeakPolarHBondContact O-CB 3.44Å; A243-L247 PolarHBondContact O-N 2.98Å |
| 244 | R | 81.5 | Confident | 72.8 | Confident | 147 Ų | 147 | 119.9 Ų | 119.9 | 56% | 0.555 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | 172.3 | -73.8 | 164.4 | 178.3 | -92.8 | 4.8 | 111 | E240 L241 L247 V248 | E240-R244 WeakPolarHBondContact O-CB 3.4Å; E240-R244 WeakPolarHBondContact O-CD 3.47Å; E240-R244 WeakPolarHBondContact O-CG 3.37Å; E240-R244 PolarHBondContact O-N 2.98Å; E240-R244 IonicContact OE1-CZ 4Å; E240-R244 IonicContact OE1-NE 3.03Å; E240-R244 PolarHBondContact OE1-NE 2.88Å; E240-R244 IonicContact OE1-NH2 2.62Å; E240-R244 PolarHBondContact OE1-NH2 2.88Å; L241-R244 PolarHBondContact O-N 3.32Å; R244-L247 PolarHBondContact O-N 2.81Å; R244-V248 VanDerWaalsContact O-CB 3.27Å; R244-V248 WeakPolarHBondContact O-CB 3.46Å; R244-V248 WeakPolarHBondContact O-CG2 3.34Å; R244-V248 PolarHBondContact O-N 3.4Å |
| 245 | L | 67.4 | Low | 70.6 | Confident | 122 Ų | 122 | 125.8 Ų | 125.8 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.7 | -40.6 | 174.8 | -77.5 | 164 | 0 | 0 | 0 | 112.3 | L241 Q242 L247 G249 | L241-L245 WeakPolarHBondContact O-CB 3.17Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.38Å; L241-L245 PolarHBondContact O-N 3.49Å; Q242-L245 PolarHBondContact O-N 3.48Å; L245-L247 VanDerWaalsContact C-N 3.35Å; L245-G249 PolarHBondContact O-N 3.28Å |
| 246 | T | 69.3 | Low | 68.8 | Low | 110 Ų | 110 | 127.8 Ų | 127.8 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70 | -31.2 | 174.3 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | Q242 A243 G249 | Q242-T246 PolarHBondContact O-N 2.92Å; Q242-T246 PolarHBondContact O-OG1 3.23Å; A243-T246 WeakPolarHBondContact CA-OG1 3.41Å; A243-T246 PolarHBondContact O-N 3.32Å; A243-T246 PolarHBondContact O-OG1 3.16Å; T246-G249 PolarHBondContact O-N 2.85Å |
| 247 | L | 64 | Low | 67.1 | Low | 151 Ų | 151 | 125.6 Ų | 125.6 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.8 | -35.6 | 175 | -153 | 75.4 | 0 | 0 | 0 | 112.8 | A243 R244 L245 G249 | A243-L247 WeakPolarHBondContact O-CB 3.44Å; A243-L247 PolarHBondContact O-N 2.98Å; R244-L247 PolarHBondContact O-N 2.81Å; L245-L247 VanDerWaalsContact C-N 3.35Å; L247-G249 PolarHBondContact O-N 3.34Å |
| 248 | V | 53.4 | Low | 65.4 | Low | 93 Ų | 93 | 126 Ų | 126 | 56% | 0.564 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.1 | -8.6 | 172.2 | 170.8 | 0 | 0 | 0 | 0 | 112 | R244 K250 E251 | R244-V248 VanDerWaalsContact O-CB 3.27Å; R244-V248 WeakPolarHBondContact O-CB 3.46Å; R244-V248 WeakPolarHBondContact O-CG2 3.34Å; R244-V248 PolarHBondContact O-N 3.4Å; V248-K250 PolarHBondContact O-N 3.06Å; V248-E251 PolarHBondContact O-N 2.99Å; V248-E251 VanDerWaalsContact O-N 3.09Å |
| 249 | G | 49.3 | Very low | 64.1 | Low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 19.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | L245 T246 L247 | L245-G249 PolarHBondContact O-N 3.28Å; T246-G249 PolarHBondContact O-N 2.85Å; L247-G249 PolarHBondContact O-N 3.34Å |
| 250 | K | 55.3 | Low | 62.5 | Low | 195 Ų | 195 | 127.4 Ų | 127.4 | 85% | 0.848 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -28 | 166.5 | -79.2 | -72.7 | -177.4 | 176.6 | 0 | 113.5 | V248 | V248-K250 PolarHBondContact O-N 3.06Š|
| 251 | E | 54.6 | Low | 61.2 | Low | 172 Ų | 172 | 128.6 Ų | 128.6 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -141.1 | 110.7 | -178.4 | -66.6 | -172.2 | 179.4 | 0 | 0 | 111.8 | V248 | V248-E251 PolarHBondContact O-N 2.99Å; V248-E251 VanDerWaalsContact O-N 3.09Å |
| 252 | G | 41.4 | Very low | 60.7 | Low | 60 Ų | 60 | 128.5 Ų | 128.5 | 62% | 0.619 | 66% | 0.662 | S | S | * | * | trans | 159.6 | 78.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q254 | G252-Q254 PolarHBondContact O-N 3.13Š| ||
| 253 | P | 53.8 | Low | 60.7 | Low | 131 Ų | 131 | 129.3 Ų | 129.3 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | trans | -81.6 | 73.7 | -171.1 | 34 | -36.8 | 0 | 0 | 0 | 113.5 | ||||
| 254 | Q | 51.7 | Low | 60.6 | Low | 178 Ų | 178 | 131.2 Ų | 131.2 | 83% | 0.832 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -149.9 | 10.7 | 174.7 | -149.3 | 140.4 | 60.8 | 0 | 0 | 117.3 | G252 | G252-Q254 PolarHBondContact O-N 3.13Š|
| 255 | W | 48.3 | Very low | 60.5 | Low | 220 Ų | 220 | 128.7 Ų | 128.7 | 83% | 0.833 | 66% | 0.659 | S | S | * | * | trans | -121.5 | 10.3 | -173.6 | -74.8 | 102.7 | 0 | 0 | 0 | 116.5 | H257 | W255-H257 VanDerWaalsContact C-N 3.33Å; W255-H257 PolarHBondContact O-N 3.49Å | ||
| 256 | L | 52.8 | Low | 61.4 | Low | 137 Ų | 137 | 130.5 Ų | 130.5 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -33.1 | -177.6 | -78.3 | 165.7 | 0 | 0 | 0 | 114.2 | V258 R259 | L256-V258 PolarHBondContact O-N 2.85Å; L256-R259 PolarHBondContact O-N 3.16Å |
| 257 | H | 57.8 | Low | 62.1 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60 | -25.2 | -158.9 | -156 | 16.2 | 0 | 0 | 0 | 115.4 | W255 R259 D260 F261 | W255-H257 VanDerWaalsContact C-N 3.33Å; W255-H257 PolarHBondContact O-N 3.49Å; H257-R259 VanDerWaalsContact C-N 3.33Å; H257-R259 PolarHBondContact O-N 2.84Å; H257-D260 PolarHBondContact O-N 3.21Å; H257-F261 WeakPolarHBondContact O-CD2 3.47Å; H257-F261 WeakPolarHBondContact O-CE2 3.4Å |
| 258 | V | 56.9 | Low | 63 | Low | 111 Ų | 111 | 124.3 Ų | 124.3 | 67% | 0.673 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.5 | -27 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | L256 | L256-V258 PolarHBondContact O-N 2.85Å |
| 259 | R | 59.7 | Low | 64.3 | Low | 219 Ų | 219 | 125 Ų | 125 | 83% | 0.826 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -93.8 | -11.3 | 178.8 | -74.2 | -165.4 | 67.7 | -166.6 | -1.1 | 114.6 | L256 H257 | L256-R259 PolarHBondContact O-N 3.16Å; H257-R259 VanDerWaalsContact C-N 3.33Å; H257-R259 PolarHBondContact O-N 2.84Å |
| 260 | D | 58.1 | Low | 66.1 | Low | 53 Ų | 53 | 130 Ų | 130 | 28% | 0.283 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -84.4 | -14.9 | -178.5 | -68 | -49.5 | 0 | 0 | 0 | 113.2 | H257 D262 R263 L264 | H257-D260 PolarHBondContact O-N 3.21Å; D260-D262 PolarHBondContact O-N 3.12Å; D260-R263 WeakPolarHBondContact O-CB 3.47Å; D260-R263 PolarHBondContact O-N 2.97Å; D260-R263 VanDerWaalsContact O-N 3.13Å; D260-L264 HydrophobicContact CB-CD1 4.17Å; D260-L264 WeakPolarHBondContact O-CD1 3.23Å; D260-L264 PolarHBondContact O-N 3.44Å |
| 261 | F | 62.2 | Low | 67.7 | Low | 123 Ų | 123 | 124.3 Ų | 124.3 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60 | -47.3 | -179.5 | -75.3 | -72.4 | 0 | 0 | 0 | 113.4 | H257 R263 L264 L265 | H257-F261 WeakPolarHBondContact O-CD2 3.47Å; H257-F261 WeakPolarHBondContact O-CE2 3.4Å; F261-R263 PolarHBondContact O-N 3.43Å; F261-L264 PolarHBondContact O-N 2.97Å; F261-L265 VanDerWaalsContact O-CB 3.27Å; F261-L265 WeakPolarHBondContact O-CB 3.48Å; F261-L265 PolarHBondContact O-N 2.81Å |
| 262 | D | 73.9 | Confident | 69.4 | Low | 103 Ų | 103 | 119.7 Ų | 119.7 | 55% | 0.551 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.7 | -30.2 | 176.5 | -68.2 | -51.8 | 0 | 0 | 0 | 112.4 | D260 R266 | D260-D262 PolarHBondContact O-N 3.12Å; D262-R266 WeakPolarHBondContact O-CB 3.35Å; D262-R266 VanDerWaalsContact O-CD 3.31Å; D262-R266 WeakPolarHBondContact O-CD 3.19Å; D262-R266 WeakPolarHBondContact O-CG 3.37Å; D262-R266 PolarHBondContact O-N 3.47Å; D262-R266 VanDerWaalsContact O-N 3.16Å |
| 263 | R | 81 | Confident | 71.6 | Confident | 146 Ų | 146 | 121.8 Ų | 121.8 | 55% | 0.551 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73 | -51.8 | 176.4 | -177.2 | -179.9 | 169.3 | -145.6 | -17.3 | 110.7 | D260 F261 L265 R266 E267 | D260-R263 WeakPolarHBondContact O-CB 3.47Å; D260-R263 PolarHBondContact O-N 2.97Å; D260-R263 VanDerWaalsContact O-N 3.13Å; F261-R263 PolarHBondContact O-N 3.43Å; R263-L265 VanDerWaalsContact C-N 3.28Å; R263-L265 PolarHBondContact O-N 2.77Å; R263-R266 PolarHBondContact O-N 3.09Å; R263-E267 HydrophobicContact CG-CG 4.43Å; R263-E267 IonicContact CZ-OE1 2.79Å; R263-E267 IonicContact CZ-OE2 3.16Å; R263-E267 IonicContact NE-OE1 2.7Å; R263-E267 PolarHBondContact NE-OE1 3.1Å; R263-E267 IonicContact NE-OE2 3.21Å; R263-E267 IonicContact NH2-OE1 2.65Å; R263-E267 PolarHBondContact NH2-OE1 3.29Å; R263-E267 IonicContact NH2-OE2 2.88Å; R263-E267 WeakPolarHBondContact O-CB 3.46Å; R263-E267 WeakPolarHBondContact O-CG 3.32Å; R263-E267 PolarHBondContact O-N 2.8Å |
| 264 | L | 80.1 | Confident | 73.4 | Confident | 95 Ų | 95 | 121.3 Ų | 121.3 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.1 | -36 | 176.8 | -93.5 | 75.6 | 0 | 0 | 0 | 112 | D260 F261 E267 S268 | D260-L264 HydrophobicContact CB-CD1 4.17Å; D260-L264 WeakPolarHBondContact O-CD1 3.23Å; D260-L264 PolarHBondContact O-N 3.44Å; F261-L264 PolarHBondContact O-N 2.97Å; L264-E267 PolarHBondContact O-N 3.2Å; L264-S268 WeakPolarHBondContact O-CB 3.41Å; L264-S268 PolarHBondContact O-N 2.98Å; L264-S268 PolarHBondContact O-OG 2.78Å |
| 265 | L | 79.3 | Confident | 75.2 | Confident | 94 Ų | 94 | 116.6 Ų | 116.6 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 175.7 | -173.7 | 59.7 | 0 | 0 | 0 | 111.4 | F261 R263 S268 Q269 | F261-L265 VanDerWaalsContact O-CB 3.27Å; F261-L265 WeakPolarHBondContact O-CB 3.48Å; F261-L265 PolarHBondContact O-N 2.81Å; R263-L265 VanDerWaalsContact C-N 3.28Å; R263-L265 PolarHBondContact O-N 2.77Å; L265-S268 WeakPolarHBondContact CA-OG 3.45Å; L265-S268 PolarHBondContact O-OG 2.67Å; L265-S268 VanDerWaalsContact O-OG 3.05Å; L265-Q269 WeakPolarHBondContact O-CB 3.35Å; L265-Q269 WeakPolarHBondContact O-CG 3.26Å; L265-Q269 PolarHBondContact O-N 3.13Å |
| 266 | R | 86.6 | Confident | 76.6 | Confident | 160 Ų | 160 | 111.4 Ų | 111.4 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68 | -34.1 | 174.9 | -69.6 | 167.6 | -167.7 | -114.7 | 2.6 | 112.5 | D262 R263 R270 | D262-R266 WeakPolarHBondContact O-CB 3.35Å; D262-R266 VanDerWaalsContact O-CD 3.31Å; D262-R266 WeakPolarHBondContact O-CD 3.19Å; D262-R266 WeakPolarHBondContact O-CG 3.37Å; D262-R266 PolarHBondContact O-N 3.47Å; D262-R266 VanDerWaalsContact O-N 3.16Å; R263-R266 PolarHBondContact O-N 3.09Å; R266-R270 VanDerWaalsContact O-CD 3.3Å; R266-R270 WeakPolarHBondContact O-CD 3.46Å; R266-R270 WeakPolarHBondContact O-CG 3.14Å; R266-R270 PolarHBondContact O-N 3.31Å; R266-R270 VanDerWaalsContact O-N 3.16Å |
| 267 | E | 84.3 | Confident | 78 | Confident | 72 Ų | 72 | 114 Ų | 114 | 34% | 0.336 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.6 | -44.4 | 177.3 | -74.7 | 174.1 | 169.9 | 0 | 0 | 111.7 | R263 L264 R270 E271 | R263-E267 HydrophobicContact CG-CG 4.43Å; R263-E267 IonicContact CZ-OE1 2.79Å; R263-E267 IonicContact CZ-OE2 3.16Å; R263-E267 IonicContact NE-OE1 2.7Å; R263-E267 PolarHBondContact NE-OE1 3.1Å; R263-E267 IonicContact NE-OE2 3.21Å; R263-E267 IonicContact NH2-OE1 2.65Å; R263-E267 PolarHBondContact NH2-OE1 3.29Å; R263-E267 IonicContact NH2-OE2 2.88Å; R263-E267 WeakPolarHBondContact O-CB 3.46Å; R263-E267 WeakPolarHBondContact O-CG 3.32Å; R263-E267 PolarHBondContact O-N 2.8Å; L264-E267 PolarHBondContact O-N 3.2Å; E267-R270 WeakPolarHBondContact O-CB 3.16Å; E267-R270 PolarHBondContact O-N 3.39Å; E267-E271 WeakPolarHBondContact O-CB 3.27Å; E267-E271 PolarHBondContact O-N 2.85Å |
| 268 | S | 82.3 | Confident | 79.2 | Confident | 59 Ų | 59 | 113 Ų | 113 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 173.6 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | L264 L265 R270 E271 V272 | L264-S268 WeakPolarHBondContact O-CB 3.41Å; L264-S268 PolarHBondContact O-N 2.98Å; L264-S268 PolarHBondContact O-OG 2.78Å; L265-S268 WeakPolarHBondContact CA-OG 3.45Å; L265-S268 PolarHBondContact O-OG 2.67Å; L265-S268 VanDerWaalsContact O-OG 3.05Å; S268-R270 PolarHBondContact O-N 2.83Å; S268-E271 PolarHBondContact O-N 3.22Å; S268-V272 WeakPolarHBondContact O-CG2 3.35Å; S268-V272 PolarHBondContact O-N 2.82Å |
| 269 | Q | 81.1 | Confident | 80.3 | Confident | 108 Ų | 108 | 112.3 Ų | 112.3 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 172.9 | -74.9 | 170 | -4.6 | 0 | 0 | 112.4 | L265 E271 L273 | L265-Q269 WeakPolarHBondContact O-CB 3.35Å; L265-Q269 WeakPolarHBondContact O-CG 3.26Å; L265-Q269 PolarHBondContact O-N 3.13Å; Q269-E271 VanDerWaalsContact C-N 3.33Å; Q269-L273 WeakPolarHBondContact O-CG 3.45Å; Q269-L273 PolarHBondContact O-N 2.94Å; Q269-L273 VanDerWaalsContact O-N 3.13Å |
| 270 | R | 87.9 | Confident | 81 | Confident | 168 Ų | 168 | 104.1 Ų | 104.1 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 172.8 | -72.2 | 163.2 | -178.2 | -179.6 | -1.2 | 111.7 | R266 E267 S268 L273 R274 | R266-R270 VanDerWaalsContact O-CD 3.3Å; R266-R270 WeakPolarHBondContact O-CD 3.46Å; R266-R270 WeakPolarHBondContact O-CG 3.14Å; R266-R270 PolarHBondContact O-N 3.31Å; R266-R270 VanDerWaalsContact O-N 3.16Å; E267-R270 WeakPolarHBondContact O-CB 3.16Å; E267-R270 PolarHBondContact O-N 3.39Å; S268-R270 PolarHBondContact O-N 2.83Å; R270-L273 PolarHBondContact O-N 3.49Å; R270-R274 WeakPolarHBondContact O-CB 3.47Å; R270-R274 PolarHBondContact O-N 3.42Å |
| 271 | E | 87.6 | Confident | 81.9 | Confident | 76 Ų | 76 | 106.6 Ų | 106.6 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 180 | -164.1 | 58.5 | -160.4 | 0 | 0 | 112 | E267 S268 Q269 L273 R274 L275 | E267-E271 WeakPolarHBondContact O-CB 3.27Å; E267-E271 PolarHBondContact O-N 2.85Å; S268-E271 PolarHBondContact O-N 3.22Å; Q269-E271 VanDerWaalsContact C-N 3.33Å; E271-L273 PolarHBondContact O-N 3.39Å; E271-R274 VanDerWaalsContact CD-NE 3.31Å; E271-R274 WeakPolarHBondContact O-CB 3.12Å; E271-R274 PolarHBondContact O-N 2.79Å; E271-R274 IonicContact OE1-CZ 3.68Å; E271-R274 IonicContact OE1-NE 2.73Å; E271-R274 PolarHBondContact OE1-NE 3.03Å; E271-R274 IonicContact OE1-NH2 3.33Å; E271-R274 PolarHBondContact OE1-NH2 3.33Å; E271-R274 IonicContact OE2-CZ 2.81Å; E271-R274 IonicContact OE2-NE 2.92Å; E271-R274 PolarHBondContact OE2-NE 2.91Å; E271-L275 HydrophobicContact CG-CD1 4.44Å; E271-L275 WeakPolarHBondContact O-CB 3.33Å; E271-L275 VanDerWaalsContact O-CG 3.31Å; E271-L275 WeakPolarHBondContact O-CG 3.21Å; E271-L275 PolarHBondContact O-N 3.35Å |
| 272 | V | 90.8 | Very high | 82.5 | Confident | 76 Ų | 76 | 108.1 Ų | 108.1 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 169.9 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | S268 R274 L275 Q276 | S268-V272 WeakPolarHBondContact O-CG2 3.35Å; S268-V272 PolarHBondContact O-N 2.82Å; V272-R274 VanDerWaalsContact C-N 3.32Å; V272-R274 PolarHBondContact O-N 3.47Å; V272-L275 PolarHBondContact O-N 3.29Å; V272-Q276 HydrophobicContact CG1-CG 4.37Å; V272-Q276 WeakPolarHBondContact O-CB 3.36Å; V272-Q276 VanDerWaalsContact O-CG 3.32Å; V272-Q276 WeakPolarHBondContact O-CG 3.38Å; V272-Q276 PolarHBondContact O-N 3.24Å |
| 273 | L | 88.6 | Confident | 82.1 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -33.3 | 176.2 | -70.4 | 169.1 | 0 | 0 | 0 | 112.7 | Q269 R270 E271 R277 | Q269-L273 WeakPolarHBondContact O-CG 3.45Å; Q269-L273 PolarHBondContact O-N 2.94Å; Q269-L273 VanDerWaalsContact O-N 3.13Å; R270-L273 PolarHBondContact O-N 3.49Å; E271-L273 PolarHBondContact O-N 3.39Å; L273-R277 WeakPolarHBondContact O-CB 3.42Å; L273-R277 PolarHBondContact O-N 3.36Å |
| 274 | R | 91.6 | Very high | 81 | Confident | 120 Ų | 120 | 106.4 Ų | 106.4 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 174 | -166.3 | -179.8 | 79.1 | 82.4 | 1.5 | 111 | R270 E271 V272 R277 Q278 | R270-R274 WeakPolarHBondContact O-CB 3.47Å; R270-R274 PolarHBondContact O-N 3.42Å; E271-R274 VanDerWaalsContact CD-NE 3.31Å; E271-R274 WeakPolarHBondContact O-CB 3.12Å; E271-R274 PolarHBondContact O-N 2.79Å; E271-R274 IonicContact OE1-CZ 3.68Å; E271-R274 IonicContact OE1-NE 2.73Å; E271-R274 PolarHBondContact OE1-NE 3.03Å; E271-R274 IonicContact OE1-NH2 3.33Å; E271-R274 PolarHBondContact OE1-NH2 3.33Å; E271-R274 IonicContact OE2-CZ 2.81Å; E271-R274 IonicContact OE2-NE 2.92Å; E271-R274 PolarHBondContact OE2-NE 2.91Å; V272-R274 VanDerWaalsContact C-N 3.32Å; V272-R274 PolarHBondContact O-N 3.47Å; R274-R277 PolarHBondContact O-N 2.81Å; R274-Q278 PolarHBondContact O-N 2.83Å |
| 275 | L | 88.1 | Confident | 80 | Confident | 79 Ų | 79 | 112.2 Ų | 112.2 | 41% | 0.414 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 178 | -68.7 | 168.7 | 0 | 0 | 0 | 111.8 | E271 V272 R277 Q278 I279 | E271-L275 HydrophobicContact CG-CD1 4.44Å; E271-L275 WeakPolarHBondContact O-CB 3.33Å; E271-L275 VanDerWaalsContact O-CG 3.31Å; E271-L275 WeakPolarHBondContact O-CG 3.21Å; E271-L275 PolarHBondContact O-N 3.35Å; V272-L275 PolarHBondContact O-N 3.29Å; L275-R277 VanDerWaalsContact C-N 3.32Å; L275-R277 PolarHBondContact O-N 3.41Å; L275-Q278 PolarHBondContact O-N 3.06Å; L275-Q278 VanDerWaalsContact O-N 3.13Å; L275-I279 WeakPolarHBondContact O-CG1 3.39Å; L275-I279 PolarHBondContact O-N 3.29Å |
| 276 | Q | 78.9 | Confident | 78.8 | Confident | 111 Ų | 111 | 113.3 Ų | 113.3 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 173.4 | -76.2 | 176.5 | -16.9 | 0 | 0 | 112 | V272 I279 A280 | V272-Q276 HydrophobicContact CG1-CG 4.37Å; V272-Q276 WeakPolarHBondContact O-CB 3.36Å; V272-Q276 VanDerWaalsContact O-CG 3.32Å; V272-Q276 WeakPolarHBondContact O-CG 3.38Å; V272-Q276 PolarHBondContact O-N 3.24Å; Q276-I279 PolarHBondContact O-N 2.64Å; Q276-A280 WeakPolarHBondContact O-CB 3.32Å; Q276-A280 PolarHBondContact O-N 3.3Å |
| 277 | R | 82.3 | Confident | 76.7 | Confident | 192 Ų | 192 | 111 Ų | 111 | 73% | 0.725 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -39.8 | 171.7 | -83.5 | -179.3 | 166.4 | 171.1 | -3.5 | 112.8 | L273 R274 L275 A280 L281 | L273-R277 WeakPolarHBondContact O-CB 3.42Å; L273-R277 PolarHBondContact O-N 3.36Å; R274-R277 PolarHBondContact O-N 2.81Å; L275-R277 VanDerWaalsContact C-N 3.32Å; L275-R277 PolarHBondContact O-N 3.41Å; R277-A280 PolarHBondContact O-N 2.93Å; R277-L281 WeakPolarHBondContact O-CB 3.45Å; R277-L281 VanDerWaalsContact O-CG 3.25Å; R277-L281 WeakPolarHBondContact O-CG 3.32Å; R277-L281 PolarHBondContact O-N 3.27Å |
| 278 | Q | 81.4 | Confident | 74.6 | Confident | 104 Ų | 104 | 114.2 Ų | 114.2 | 49% | 0.486 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 174.5 | -74.5 | -171.6 | -57.3 | 0 | 0 | 112.2 | R274 L275 R282 | R274-Q278 PolarHBondContact O-N 2.83Å; L275-Q278 PolarHBondContact O-N 3.06Å; L275-Q278 VanDerWaalsContact O-N 3.13Å; Q278-R282 VanDerWaalsContact O-CB 3.32Å; Q278-R282 WeakPolarHBondContact O-CB 3.18Å; Q278-R282 PolarHBondContact O-N 3.49Å |
| 279 | I | 80.5 | Confident | 72.9 | Confident | 97 Ų | 97 | 117.1 Ų | 117.1 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66 | -46.9 | 175.3 | -66.6 | 163.4 | 0 | 0 | 0 | 110.5 | L275 Q276 L281 R282 N283 | L275-I279 WeakPolarHBondContact O-CG1 3.39Å; L275-I279 PolarHBondContact O-N 3.29Å; Q276-I279 PolarHBondContact O-N 2.64Å; I279-L281 PolarHBondContact O-N 3.41Å; I279-R282 WeakPolarHBondContact O-CB 3.48Å; I279-R282 PolarHBondContact O-N 3.39Å; I279-R282 VanDerWaalsContact O-N 3.14Å; I279-N283 PolarHBondContact O-N 3.24Å; I279-N283 PolarHBondContact O-OD1 3.09Å |
| 280 | A | 74.1 | Confident | 71.1 | Confident | 47 Ų | 47 | 119.8 Ų | 119.8 | 39% | 0.388 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.1 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q276 R277 N283 Q284 | Q276-A280 WeakPolarHBondContact O-CB 3.32Å; Q276-A280 PolarHBondContact O-N 3.3Å; R277-A280 PolarHBondContact O-N 2.93Å; A280-N283 PolarHBondContact O-N 3.21Å; A280-Q284 VanDerWaalsContact O-CG 3.31Å; A280-Q284 WeakPolarHBondContact O-CG 3.2Å; A280-Q284 PolarHBondContact O-N 3.4Å |
| 281 | L | 77.6 | Confident | 69 | Low | 104 Ų | 104 | 117.2 Ų | 117.2 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.8 | -30.8 | 176.2 | -71 | 168.9 | 0 | 0 | 0 | 112.9 | R277 I279 R285 | R277-L281 WeakPolarHBondContact O-CB 3.45Å; R277-L281 VanDerWaalsContact O-CG 3.25Å; R277-L281 WeakPolarHBondContact O-CG 3.32Å; R277-L281 PolarHBondContact O-N 3.27Å; I279-L281 PolarHBondContact O-N 3.41Å; L281-R285 WeakPolarHBondContact O-CG 3.44Å; L281-R285 PolarHBondContact O-N 3.19Å |
| 282 | R | 75.2 | Confident | 67.5 | Low | 155 Ų | 155 | 119.1 Ų | 119.1 | 59% | 0.585 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.9 | -50.5 | 172.2 | 179.3 | 179.5 | 171.6 | -171 | -8.5 | 110.8 | Q278 I279 Q284 R285 E286 | Q278-R282 VanDerWaalsContact O-CB 3.32Å; Q278-R282 WeakPolarHBondContact O-CB 3.18Å; Q278-R282 PolarHBondContact O-N 3.49Å; I279-R282 WeakPolarHBondContact O-CB 3.48Å; I279-R282 PolarHBondContact O-N 3.39Å; I279-R282 VanDerWaalsContact O-N 3.14Å; R282-Q284 VanDerWaalsContact C-N 3.26Å; R282-Q284 PolarHBondContact O-N 3.17Å; R282-R285 CarbonylContact O-C 3.6Å; R282-R285 WeakPolarHBondContact O-CA 3.31Å; R282-R285 WeakPolarHBondContact O-CB 3.31Å; R282-R285 PolarHBondContact O-N 2.98Å; R282-E286 HydrophobicContact CG-CG 4.46Å; R282-E286 IonicContact CZ-OE1 2.74Å; R282-E286 IonicContact NE-OE1 2.78Å; R282-E286 PolarHBondContact NE-OE1 3.28Å; R282-E286 IonicContact NE-OE2 2.82Å; R282-E286 IonicContact NH2-OE1 2.71Å; R282-E286 PolarHBondContact NH2-OE1 3.36Å; R282-E286 IonicContact NH2-OE2 3.16Å; R282-E286 PolarHBondContact O-N 3.39Å |
| 283 | N | 64.7 | Low | 64.5 | Low | 84 Ų | 84 | 121.6 Ų | 121.6 | 45% | 0.449 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.3 | -38.5 | -179.4 | -62.7 | 8.5 | 0 | 0 | 0 | 111.1 | I279 A280 R285 E286 T287 | I279-N283 PolarHBondContact O-N 3.24Å; I279-N283 PolarHBondContact O-OD1 3.09Å; A280-N283 PolarHBondContact O-N 3.21Å; N283-R285 PolarHBondContact O-N 3.09Å; N283-E286 PolarHBondContact O-N 3.03Å; N283-T287 PolarHBondContact O-N 2.66Å; N283-T287 PolarHBondContact O-OG1 3.45Å |
| 284 | Q | 59.2 | Low | 61.5 | Low | 130 Ų | 130 | 128 Ų | 128 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63 | -37.4 | 172.6 | -74 | 172.9 | 4.7 | 0 | 0 | 113 | A280 R282 T287 | A280-Q284 VanDerWaalsContact O-CG 3.31Å; A280-Q284 WeakPolarHBondContact O-CG 3.2Å; A280-Q284 PolarHBondContact O-N 3.4Å; R282-Q284 VanDerWaalsContact C-N 3.26Å; R282-Q284 PolarHBondContact O-N 3.17Å; Q284-T287 PolarHBondContact O-N 2.96Å |
| 285 | R | 58.1 | Low | 59.2 | Low | 216 Ų | 216 | 127.5 Ų | 127.5 | 82% | 0.815 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.1 | -28.8 | 175.3 | -77.8 | 176.2 | 169.1 | -176.2 | -4.3 | 113.6 | L281 R282 N283 T287 | L281-R285 WeakPolarHBondContact O-CG 3.44Å; L281-R285 PolarHBondContact O-N 3.19Å; R282-R285 CarbonylContact O-C 3.6Å; R282-R285 WeakPolarHBondContact O-CA 3.31Å; R282-R285 WeakPolarHBondContact O-CB 3.31Å; R282-R285 PolarHBondContact O-N 2.98Å; N283-R285 PolarHBondContact O-N 3.09Å; R285-T287 PolarHBondContact O-N 3.35Å |
| 286 | E | 53.5 | Low | 57.4 | Low | 118 Ų | 118 | 129.5 Ų | 129.5 | 55% | 0.551 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -2.8 | 177.2 | -70.7 | 174.6 | 165.5 | 0 | 0 | 113.1 | R282 N283 | R282-E286 HydrophobicContact CG-CG 4.46Å; R282-E286 IonicContact CZ-OE1 2.74Å; R282-E286 IonicContact NE-OE1 2.78Å; R282-E286 PolarHBondContact NE-OE1 3.28Å; R282-E286 IonicContact NE-OE2 2.82Å; R282-E286 IonicContact NH2-OE1 2.71Å; R282-E286 PolarHBondContact NH2-OE1 3.36Å; R282-E286 IonicContact NH2-OE2 3.16Å; R282-E286 PolarHBondContact O-N 3.39Å; N283-E286 PolarHBondContact O-N 3.03Å |
| 287 | T | 42.5 | Very low | 55.1 | Low | 110 Ų | 110 | 127.6 Ų | 127.6 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 14.9 | -175.4 | -42.3 | 0 | 0 | 0 | 0 | 114 | N283 Q284 R285 | N283-T287 PolarHBondContact O-N 2.66Å; N283-T287 PolarHBondContact O-OG1 3.45Å; Q284-T287 PolarHBondContact O-N 2.96Å; R285-T287 PolarHBondContact O-N 3.35Å |
| 288 | L | 39.9 | Very low | 53.9 | Low | 141 Ų | 141 | 124.6 Ų | 124.6 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -118.8 | 136.1 | 177.5 | -117.6 | 75.3 | 0 | 0 | 0 | 112.9 | ||
| 289 | P | 46.8 | Very low | 51.5 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | -71 | 146.3 | 176.6 | -16.7 | 31.1 | 0 | 0 | 0 | 113.4 | ||||
| 290 | L | 44.8 | Very low | 49.5 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 86% | 0.859 | 71% | 0.706 | S | S | * | * | trans | -87.8 | 138.6 | 179.4 | -133.6 | 80.8 | 0 | 0 | 0 | 112.7 | ||||
| 291 | P | 42.7 | Very low | 47.7 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | trans | -118.5 | 164.3 | 139.4 | -0.3 | 21.8 | 0 | 0 | 0 | 112.3 | ||||
| 292 | P | 55.5 | Low | 45.5 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -107.8 | 157.2 | -158.6 | 39.1 | -35 | 0 | 0 | 0 | 116.5 | ||||
| 293 | S | 28.9 | Very low | 43.5 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | trans | -162.8 | 146.5 | 145.4 | -7.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 294 | W | 24.4 | Very low | 42 | Very low | 240 Ų | 240 | 136.4 Ų | 136.4 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -75.6 | 175.1 | 160.2 | -136.2 | -96.3 | 0 | 0 | 0 | 109 | ||||
| 295 | P | 44 | Very low | 40.8 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -114.3 | 173.9 | -7.2 | -1.2 | 26.5 | 0 | 0 | 0 | 115.4 | ||||
| 296 | P | 50.4 | Low | 39.6 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -78.4 | 140.2 | 154.5 | 33.3 | -32.2 | 0 | 0 | 0 | 112.3 | ||||
| 297 | G | 31.1 | Very low | 39.2 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -140.8 | 162.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 298 | P | 56.5 | Low | 39 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -115.2 | -175.2 | -144.9 | 42.1 | -35.2 | 0 | 0 | 0 | 116 | ||||
| 299 | A | 30.8 | Very low | 39.3 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 78.3 | 152.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 300 | L | 38.2 | Very low | 38.6 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | cis | -163.6 | 179.4 | -2.4 | -127.7 | 174.4 | 0 | 0 | 0 | 111.1 | ||||
| 301 | Q | 36.9 | Very low | 38.1 | Very low | 177 Ų | 177 | 122 Ų | 122 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 71.9 | 148.5 | 159.7 | -72.4 | 171 | 84.5 | 0 | 0 | 117.9 | ||||
| 302 | A | 30.4 | Very low | 38.3 | Very low | 81 Ų | 81 | 122.7 Ų | 122.7 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | cis | -151.6 | 143.6 | -9.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 303 | R | 33.6 | Very low | 37.1 | Very low | 251 Ų | 251 | 120.6 Ų | 120.6 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | 63.6 | 137.8 | 79 | -131.4 | -173.3 | 177 | 155.2 | -1.2 | 112.6 | |||||
| 304 | A | 34.2 | Very low | 37.2 | Very low | 97 Ų | 97 | 124 Ų | 124 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | cis | -145.5 | 179.3 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 305 | G | 32.8 | Very low | 37.3 | Very low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | cis | -174 | 147.2 | -1.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 306 | A | 33.2 | Very low | 37.3 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | 87.7 | 157.4 | 95.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 307 | P | 45.2 | Very low | 36.8 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | cis | -123.5 | 179 | 3.3 | 42.2 | -28.1 | 0 | 0 | 0 | 115.6 | ||||
| 308 | A | 39 | Very low | 37 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -106.2 | 176.6 | 164 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 309 | P | 46.2 | Very low | 36.1 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | -143.4 | 179.3 | 80.5 | 37.7 | -20.1 | 0 | 0 | 0 | 113.3 | |||||
| 310 | G | 31.4 | Very low | 36.2 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | cis | 175.5 | 154.6 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 311 | A | 34.6 | Very low | 36.4 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -100.8 | 179.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 312 | P | 46.3 | Very low | 36.3 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | -153.7 | -166.6 | 61.4 | 43 | -21.1 | 0 | 0 | 0 | 116.3 | |||||
| 313 | G | 30.6 | Very low | 36.4 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 91.5 | 114.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 314 | E | 31.8 | Very low | 37.1 | Very low | 201 Ų | 201 | 124 Ų | 124 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | cis | 84 | 103 | 28.1 | -163.7 | 174.9 | -132.9 | 0 | 0 | 115.5 | ||||
| 315 | A | 26.1 | Very low | 37.9 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | 171.6 | 134.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 316 | T | 43.3 | Very low | 38.1 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | -83.5 | 164.1 | 157.1 | 41.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 317 | P | 39.6 | Very low | 38.8 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | -137.1 | 174.5 | 109.4 | 38.3 | -28.1 | 0 | 0 | 0 | 114 | |||||
| 318 | Q | 36.3 | Very low | 38.7 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -94.9 | 145.2 | 179.3 | -178.7 | 176.2 | -53.8 | 0 | 0 | 109.9 | ||||
| 319 | E | 36.9 | Very low | 38.8 | Very low | 189 Ų | 189 | 127.9 Ų | 127.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -114.3 | 131.7 | 168.8 | -70.8 | -171.7 | 141.7 | 0 | 0 | 109.7 | ||||
| 320 | D | 33.2 | Very low | 39.1 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -154.9 | 130.7 | 158.2 | -123 | -28.3 | 0 | 0 | 0 | 109.2 | ||||
| 321 | A | 43.1 | Very low | 40.5 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | 51.4 | 127.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 322 | D | 34.9 | Very low | 41.8 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | 90.2 | 111 | 129.5 | -77.1 | 5.8 | 0 | 0 | 0 | 125 | |||||
| 323 | N | 32.3 | Very low | 43.2 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | 90.1 | 145.2 | 137.7 | -74.6 | -65.8 | 0 | 0 | 0 | 122.8 | ||||
| 324 | L | 47.1 | Very low | 45.5 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -86 | 177.5 | -173.3 | -117 | 76.6 | 0 | 0 | 0 | 112 | ||||
| 325 | P | 52.6 | Low | 47.8 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | cis | -152.7 | -168.3 | 40.4 | 38.1 | -12.4 | 0 | 0 | 0 | 118.5 | ||||
| 326 | V | 37 | Very low | 50.7 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | trans | 68.1 | 98.9 | 163.4 | -170.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 327 | I | 46.4 | Very low | 52.8 | Low | 139 Ų | 139 | 127.8 Ų | 127.8 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | 68.2 | 96.2 | 74.2 | -56.4 | 162.9 | 0 | 0 | 0 | 114.4 | |||||
| 328 | L | 43.9 | Very low | 55.1 | Low | 161 Ų | 161 | 127.7 Ų | 127.7 | 84% | 0.843 | 67% | 0.668 | S | S | * | * | trans | -173 | 150.2 | 130.1 | -100.7 | 166.1 | 0 | 0 | 0 | 108.5 | ||||
| 329 | G | 41.7 | Very low | 57.7 | Low | 39 Ų | 39 | 124.7 Ų | 124.7 | 40% | 0.402 | 65% | 0.654 | S | S | . | * | trans | 85.7 | 75.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K333 | G329-K333 WeakPolarHBondContact O-CD 3.3Å; G329-K333 WeakPolarHBondContact O-CE 3.5Å | ||
| 330 | E | 52.3 | Low | 60.3 | Low | 145 Ų | 145 | 120.6 Ų | 120.6 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | trans | -85.3 | -41.6 | 173.5 | -64.7 | -179.6 | 139 | 0 | 0 | 114.8 | E332 K333 E334 | E330-E332 VanDerWaalsContact C-N 3.34Å; E330-E332 PolarHBondContact O-N 2.95Å; E330-K333 WeakPolarHBondContact O-CB 3.42Å; E330-K333 PolarHBondContact O-N 3.38Å; E330-E334 PolarHBondContact O-N 3.14Å | ||
| 331 | P | 60.4 | Low | 63.1 | Low | 82 Ų | 82 | 118.8 Ų | 118.8 | 53% | 0.532 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.3 | -28.3 | -173.9 | 26 | -34.9 | 0 | 0 | 0 | 114.1 | K333 Q335 | P331-K333 VanDerWaalsContact C-N 3.29Å; P331-K333 PolarHBondContact O-N 3.31Å; P331-Q335 WeakPolarHBondContact O-CG 3.31Å; P331-Q335 PolarHBondContact O-N 2.99Å; P331-Q335 VanDerWaalsContact O-N 3.13Å |
| 332 | E | 62.5 | Low | 65.4 | Low | 112 Ų | 112 | 116.6 Ų | 116.6 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.6 | -32 | 172.6 | -78.9 | -164 | -147.2 | 0 | 0 | 112.6 | E330 R336 | E330-E332 VanDerWaalsContact C-N 3.34Å; E330-E332 PolarHBondContact O-N 2.95Å; E332-R336 WeakPolarHBondContact O-CB 3.47Å; E332-R336 WeakPolarHBondContact O-CD 3.45Å; E332-R336 WeakPolarHBondContact O-CG 3.42Å; E332-R336 PolarHBondContact O-N 3.07Å; E332-R336 VanDerWaalsContact O-N 3.1Å; E332-R336 IonicContact OE2-CZ 2.62Å; E332-R336 IonicContact OE2-NE 2.9Å; E332-R336 IonicContact OE2-NH2 3.17Å; E332-R336 PolarHBondContact OE2-NH2 3.34Å |
| 333 | K | 74.8 | Confident | 68.3 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.3 | -42.6 | 179.3 | -63.7 | 173.3 | -175 | 170.7 | 0 | 109.7 | G329 E330 P331 R336 V337 | G329-K333 WeakPolarHBondContact O-CD 3.3Å; G329-K333 WeakPolarHBondContact O-CE 3.5Å; E330-K333 WeakPolarHBondContact O-CB 3.42Å; E330-K333 PolarHBondContact O-N 3.38Å; P331-K333 VanDerWaalsContact C-N 3.29Å; P331-K333 PolarHBondContact O-N 3.31Å; K333-R336 PolarHBondContact O-N 2.86Å; K333-V337 VanDerWaalsContact O-CG2 3.32Å; K333-V337 WeakPolarHBondContact O-CG2 3.36Å; K333-V337 PolarHBondContact O-N 2.91Å |
| 334 | E | 78.8 | Confident | 71.3 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.5 | -46 | 174.7 | -63.8 | 179.6 | 155.2 | 0 | 0 | 112.1 | E330 R336 V337 Q338 | E330-E334 PolarHBondContact O-N 3.14Å; E334-R336 PolarHBondContact O-N 2.94Å; E334-V337 PolarHBondContact O-N 2.93Å; E334-Q338 WeakPolarHBondContact O-CG 3.36Å; E334-Q338 PolarHBondContact O-N 3.27Å |
| 335 | Q | 80.8 | Confident | 73.5 | Confident | 133 Ų | 133 | 106.2 Ų | 106.2 | 62% | 0.621 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.2 | -42 | 176.5 | -71.1 | 179.5 | 11.4 | 0 | 0 | 112.4 | P331 Q338 Q339 | P331-Q335 WeakPolarHBondContact O-CG 3.31Å; P331-Q335 PolarHBondContact O-N 2.99Å; P331-Q335 VanDerWaalsContact O-N 3.13Å; Q335-Q338 PolarHBondContact O-N 2.75Å; Q335-Q339 PolarHBondContact O-N 3.45Å |
| 336 | R | 87.8 | Confident | 75.6 | Confident | 154 Ų | 154 | 106.7 Ų | 106.7 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 175.6 | -69.4 | 167.5 | -164.5 | -131.2 | 10.3 | 111.7 | E332 K333 E334 Q339 L340 | E332-R336 WeakPolarHBondContact O-CB 3.47Å; E332-R336 WeakPolarHBondContact O-CD 3.45Å; E332-R336 WeakPolarHBondContact O-CG 3.42Å; E332-R336 PolarHBondContact O-N 3.07Å; E332-R336 VanDerWaalsContact O-N 3.1Å; E332-R336 IonicContact OE2-CZ 2.62Å; E332-R336 IonicContact OE2-NE 2.9Å; E332-R336 IonicContact OE2-NH2 3.17Å; E332-R336 PolarHBondContact OE2-NH2 3.34Å; K333-R336 PolarHBondContact O-N 2.86Å; E334-R336 PolarHBondContact O-N 2.94Å; R336-Q339 PolarHBondContact O-N 3.45Å; R336-L340 WeakPolarHBondContact O-CB 3.17Å; R336-L340 VanDerWaalsContact O-CG 3.28Å; R336-L340 WeakPolarHBondContact O-CG 3.4Å; R336-L340 PolarHBondContact O-N 2.62Å |
| 337 | V | 85.7 | Confident | 78.5 | Confident | 74 Ų | 74 | 107.5 Ų | 107.5 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62 | -50.5 | 174.7 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | K333 E334 Q339 L340 E341 | K333-V337 VanDerWaalsContact O-CG2 3.32Å; K333-V337 WeakPolarHBondContact O-CG2 3.36Å; K333-V337 PolarHBondContact O-N 2.91Å; E334-V337 PolarHBondContact O-N 2.93Å; V337-Q339 VanDerWaalsContact C-N 3.3Å; V337-Q339 PolarHBondContact O-N 3.37Å; V337-L340 CarbonylContact O-C 3.58Å; V337-L340 PolarHBondContact O-N 3.28Å; V337-L340 VanDerWaalsContact O-N 3.09Å; V337-E341 HydrophobicContact CG1-CG 4.28Å; V337-E341 WeakPolarHBondContact O-CG 3.44Å; V337-E341 PolarHBondContact O-N 2.96Å |
| 338 | Q | 88.9 | Confident | 80.9 | Confident | 123 Ų | 123 | 108.9 Ų | 108.9 | 58% | 0.575 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.1 | -37.7 | 178 | -70.6 | 175.7 | 20.7 | 0 | 0 | 112.6 | E334 Q335 S342 | E334-Q338 WeakPolarHBondContact O-CG 3.36Å; E334-Q338 PolarHBondContact O-N 3.27Å; Q335-Q338 PolarHBondContact O-N 2.75Å; Q338-S342 WeakPolarHBondContact O-CB 3.33Å; Q338-S342 PolarHBondContact O-N 2.88Å |
| 339 | Q | 90.8 | Very high | 83.4 | Confident | 115 Ų | 115 | 108 Ų | 108 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 172.9 | -178.5 | 177.9 | -18.4 | 0 | 0 | 111.1 | Q335 R336 V337 E341 S342 E343 | Q335-Q339 PolarHBondContact O-N 3.45Å; R336-Q339 PolarHBondContact O-N 3.45Å; V337-Q339 VanDerWaalsContact C-N 3.3Å; V337-Q339 PolarHBondContact O-N 3.37Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3Å; Q339-S342 CarbonylContact O-C 3.6Å; Q339-S342 WeakPolarHBondContact O-CA 3.46Å; Q339-S342 WeakPolarHBondContact O-CB 3.42Å; Q339-S342 PolarHBondContact O-N 3.21Å; Q339-S342 VanDerWaalsContact O-N 3.09Å; Q339-S342 PolarHBondContact O-OG 2.9Å; Q339-E343 PolarHBondContact NE2-OE1 3.5Å; Q339-E343 PolarHBondContact O-N 3.33Å |
| 340 | L | 91.9 | Very high | 86 | Confident | 102 Ų | 102 | 112.7 Ų | 112.7 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 179 | -71.5 | 169.2 | 0 | 0 | 0 | 112.1 | R336 V337 E343 L344 | R336-L340 WeakPolarHBondContact O-CB 3.17Å; R336-L340 VanDerWaalsContact O-CG 3.28Å; R336-L340 WeakPolarHBondContact O-CG 3.4Å; R336-L340 PolarHBondContact O-N 2.62Å; V337-L340 CarbonylContact O-C 3.58Å; V337-L340 PolarHBondContact O-N 3.28Å; V337-L340 VanDerWaalsContact O-N 3.09Å; L340-E343 PolarHBondContact O-N 2.92Å; L340-L344 VanDerWaalsContact O-CB 3.32Å; L340-L344 WeakPolarHBondContact O-CB 3.21Å; L340-L344 VanDerWaalsContact O-CG 3.27Å; L340-L344 WeakPolarHBondContact O-CG 3.47Å; L340-L344 PolarHBondContact O-N 3.05Å |
| 341 | E | 91.3 | Very high | 88 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 171.6 | -71.7 | 176.7 | 157 | 0 | 0 | 111.9 | V337 Q339 E343 S345 | V337-E341 HydrophobicContact CG1-CG 4.28Å; V337-E341 WeakPolarHBondContact O-CG 3.44Å; V337-E341 PolarHBondContact O-N 2.96Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3Å; E341-E343 VanDerWaalsContact C-N 3.27Å; E341-E343 PolarHBondContact O-N 3.21Å; E341-S345 VanDerWaalsContact O-CB 3.29Å; E341-S345 WeakPolarHBondContact O-CB 3.36Å; E341-S345 PolarHBondContact O-N 2.83Å; E341-S345 PolarHBondContact O-OG 2.9Å |
| 342 | S | 91.6 | Very high | 89.8 | Confident | 38 Ų | 38 | 110 Ų | 110 | 27% | 0.266 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 173.4 | 95.3 | 0 | 0 | 0 | 0 | 111.6 | Q338 Q339 S345 K346 | Q338-S342 WeakPolarHBondContact O-CB 3.33Å; Q338-S342 PolarHBondContact O-N 2.88Å; Q339-S342 CarbonylContact O-C 3.6Å; Q339-S342 WeakPolarHBondContact O-CA 3.46Å; Q339-S342 WeakPolarHBondContact O-CB 3.42Å; Q339-S342 PolarHBondContact O-N 3.21Å; Q339-S342 VanDerWaalsContact O-N 3.09Å; Q339-S342 PolarHBondContact O-OG 2.9Å; S342-S345 WeakPolarHBondContact CA-OG 3.47Å; S342-S345 PolarHBondContact O-OG 2.9Å; S342-S345 VanDerWaalsContact O-OG 3.05Å; S342-K346 WeakPolarHBondContact O-CB 3.3Å; S342-K346 WeakPolarHBondContact O-CD 3.49Å; S342-K346 WeakPolarHBondContact O-CE 3.4Å; S342-K346 WeakPolarHBondContact O-CG 3.18Å; S342-K346 PolarHBondContact O-N 2.65Å; S342-K346 VanDerWaalsContact O-N 3.11Å; S342-K346 PolarHBondContact OG-NZ 2.93Å |
| 343 | E | 94.7 | Very high | 91.4 | Very high | 81 Ų | 81 | 107.7 Ų | 107.7 | 38% | 0.379 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -79.1 | -42.3 | 179.7 | -71.6 | -172.4 | -145.1 | 0 | 0 | 112 | Q339 L340 E341 S345 K346 K347 | Q339-E343 PolarHBondContact NE2-OE1 3.5Å; Q339-E343 PolarHBondContact O-N 3.33Å; L340-E343 PolarHBondContact O-N 2.92Å; E341-E343 VanDerWaalsContact C-N 3.27Å; E341-E343 PolarHBondContact O-N 3.21Å; E343-S345 VanDerWaalsContact C-N 3.34Å; E343-S345 PolarHBondContact O-N 3.2Å; E343-K346 CarbonylContact O-C 3.57Å; E343-K346 PolarHBondContact O-N 3Å; E343-K347 WeakPolarHBondContact O-CB 3.47Å; E343-K347 WeakPolarHBondContact O-CG 3.17Å; E343-K347 PolarHBondContact O-N 2.73Å |
| 344 | L | 95.6 | Very high | 92.5 | Very high | 103 Ų | 103 | 107 Ų | 107 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 172.7 | -73.7 | 171.2 | 0 | 0 | 0 | 111.5 | L340 K347 R348 | L340-L344 VanDerWaalsContact O-CB 3.32Å; L340-L344 WeakPolarHBondContact O-CB 3.21Å; L340-L344 VanDerWaalsContact O-CG 3.27Å; L340-L344 WeakPolarHBondContact O-CG 3.47Å; L340-L344 PolarHBondContact O-N 3.05Å; L344-K347 PolarHBondContact O-N 3.37Å; L344-R348 WeakPolarHBondContact O-CB 3.34Å; L344-R348 VanDerWaalsContact O-CG 3.26Å; L344-R348 WeakPolarHBondContact O-CG 3.48Å; L344-R348 PolarHBondContact O-N 3.43Å |
| 345 | S | 94.1 | Very high | 93.3 | Very high | 51 Ų | 51 | 105.9 Ų | 105.9 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -37.1 | 174.8 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | E341 S342 E343 K347 K349 | E341-S345 VanDerWaalsContact O-CB 3.29Å; E341-S345 WeakPolarHBondContact O-CB 3.36Å; E341-S345 PolarHBondContact O-N 2.83Å; E341-S345 PolarHBondContact O-OG 2.9Å; S342-S345 WeakPolarHBondContact CA-OG 3.47Å; S342-S345 PolarHBondContact O-OG 2.9Å; S342-S345 VanDerWaalsContact O-OG 3.05Å; E343-S345 VanDerWaalsContact C-N 3.34Å; E343-S345 PolarHBondContact O-N 3.2Å; S345-K347 VanDerWaalsContact C-N 3.33Å; S345-K349 WeakPolarHBondContact O-CG 3.49Å; S345-K349 PolarHBondContact O-N 3.49Å; S345-K349 VanDerWaalsContact O-N 3.11Å |
| 346 | K | 96.9 | Very high | 94.1 | Very high | 117 Ų | 117 | 104.8 Ų | 104.8 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 168.6 | -70.5 | 157.6 | -161.8 | 154.8 | 0 | 111.8 | S342 E343 K350 | S342-K346 WeakPolarHBondContact O-CB 3.3Å; S342-K346 WeakPolarHBondContact O-CD 3.49Å; S342-K346 WeakPolarHBondContact O-CE 3.4Å; S342-K346 WeakPolarHBondContact O-CG 3.18Å; S342-K346 PolarHBondContact O-N 2.65Å; S342-K346 VanDerWaalsContact O-N 3.11Å; S342-K346 PolarHBondContact OG-NZ 2.93Å; E343-K346 CarbonylContact O-C 3.57Å; E343-K346 PolarHBondContact O-N 3Å; K346-K350 WeakPolarHBondContact O-CG 3.47Å; K346-K350 PolarHBondContact O-N 3.29Å |
| 347 | K | 96.9 | Very high | 94.5 | Very high | 135 Ų | 135 | 101.7 Ų | 101.7 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.1 | -44.7 | 178.1 | -66.2 | -95 | -176.2 | 162.7 | 0 | 111.5 | E343 L344 S345 K349 K350 C351 | E343-K347 WeakPolarHBondContact O-CB 3.47Å; E343-K347 WeakPolarHBondContact O-CG 3.17Å; E343-K347 PolarHBondContact O-N 2.73Å; L344-K347 PolarHBondContact O-N 3.37Å; S345-K347 VanDerWaalsContact C-N 3.33Å; K347-K349 PolarHBondContact O-N 3.41Å; K347-K350 CarbonylContact O-C 3.59Å; K347-K350 WeakPolarHBondContact O-CA 3.28Å; K347-K350 WeakPolarHBondContact O-CB 3.37Å; K347-K350 PolarHBondContact O-N 3.4Å; K347-K350 VanDerWaalsContact O-N 3.08Å; K347-C351 PolarHBondContact O-N 3.26Å; K347-C351 PolarHBondContact O-SG 3.16Å; K347-C351 VanDerWaalsContact O-SG 3.33Å |
| 348 | R | 96.6 | Very high | 95.1 | Very high | 168 Ų | 168 | 100.8 Ų | 100.8 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -54.2 | -51.7 | 173.5 | -75.1 | 169.1 | -173.8 | -105.3 | 5.5 | 111.4 | L344 K350 C351 E352 | L344-R348 WeakPolarHBondContact O-CB 3.34Å; L344-R348 VanDerWaalsContact O-CG 3.26Å; L344-R348 WeakPolarHBondContact O-CG 3.48Å; L344-R348 PolarHBondContact O-N 3.43Å; R348-K350 VanDerWaalsContact C-N 3.27Å; R348-K350 PolarHBondContact O-N 3.03Å; R348-C351 WeakPolarHBondContact O-CA 3.25Å; R348-C351 WeakPolarHBondContact O-CB 3.4Å; R348-C351 PolarHBondContact O-N 2.89Å; R348-E352 WeakPolarHBondContact O-CG 3.18Å; R348-E352 PolarHBondContact O-N 3.31Å |
| 349 | K | 97.2 | Very high | 95.5 | Very high | 143 Ų | 143 | 102.1 Ų | 102.1 | 62% | 0.622 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.6 | -34.6 | 175.5 | -71 | 174.5 | -179.4 | 178.9 | 0 | 113.4 | S345 K347 S353 | S345-K349 WeakPolarHBondContact O-CG 3.49Å; S345-K349 PolarHBondContact O-N 3.49Å; S345-K349 VanDerWaalsContact O-N 3.11Å; K347-K349 PolarHBondContact O-N 3.41Å; K349-S353 WeakPolarHBondContact O-CB 3.41Å; K349-S353 PolarHBondContact O-N 3.32Å; K349-S353 VanDerWaalsContact O-N 3.08Å |
| 350 | K | 97 | Very high | 95.9 | Very high | 136 Ų | 136 | 102.4 Ų | 102.4 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.5 | -46.1 | 172.6 | -75.3 | 175.8 | 178.3 | -174.3 | 0 | 111.4 | K346 K347 R348 S353 L354 | K346-K350 WeakPolarHBondContact O-CG 3.47Å; K346-K350 PolarHBondContact O-N 3.29Å; K347-K350 CarbonylContact O-C 3.59Å; K347-K350 WeakPolarHBondContact O-CA 3.28Å; K347-K350 WeakPolarHBondContact O-CB 3.37Å; K347-K350 PolarHBondContact O-N 3.4Å; K347-K350 VanDerWaalsContact O-N 3.08Å; R348-K350 VanDerWaalsContact C-N 3.27Å; R348-K350 PolarHBondContact O-N 3.03Å; K350-S353 PolarHBondContact O-N 2.96Å; K350-S353 PolarHBondContact O-OG 3.4Å; K350-L354 WeakPolarHBondContact O-CG 3.35Å; K350-L354 PolarHBondContact O-N 3.26Å |
| 351 | C | 94.8 | Very high | 96.2 | Very high | 70 Ų | 70 | 103 Ų | 103 | 47% | 0.473 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 174.8 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | K347 R348 S353 L354 E355 | K347-C351 PolarHBondContact O-N 3.26Å; K347-C351 PolarHBondContact O-SG 3.16Å; K347-C351 VanDerWaalsContact O-SG 3.33Å; R348-C351 WeakPolarHBondContact O-CA 3.25Å; R348-C351 WeakPolarHBondContact O-CB 3.4Å; R348-C351 PolarHBondContact O-N 2.89Å; C351-S353 VanDerWaalsContact C-N 3.29Å; C351-S353 PolarHBondContact O-N 3.42Å; C351-L354 PolarHBondContact O-N 3.31Å; C351-L354 VanDerWaalsContact O-N 3.12Å; C351-E355 PolarHBondContact O-N 3.09Å |
| 352 | E | 97 | Very high | 96.5 | Very high | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.9 | -42.4 | 174.4 | -70.4 | 158.6 | -155 | 0 | 0 | 112.1 | R348 Q356 | R348-E352 WeakPolarHBondContact O-CG 3.18Å; R348-E352 PolarHBondContact O-N 3.31Å; E352-Q356 WeakPolarHBondContact O-CG 3.34Å; E352-Q356 PolarHBondContact O-N 3.36Å |
| 353 | S | 96.2 | Very high | 96.8 | Very high | 63 Ų | 63 | 110 Ų | 110 | 44% | 0.441 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 177.7 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | K349 K350 C351 Q356 E357 | K349-S353 WeakPolarHBondContact O-CB 3.41Å; K349-S353 PolarHBondContact O-N 3.32Å; K349-S353 VanDerWaalsContact O-N 3.08Å; K350-S353 PolarHBondContact O-N 2.96Å; K350-S353 PolarHBondContact O-OG 3.4Å; C351-S353 VanDerWaalsContact C-N 3.29Å; C351-S353 PolarHBondContact O-N 3.42Å; S353-Q356 PolarHBondContact O-N 3.26Å; S353-E357 PolarHBondContact O-N 2.88Å |
| 354 | L | 97.2 | Very high | 97 | Very high | 106 Ų | 106 | 114.2 Ų | 114.2 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.2 | -37 | 176.6 | -70.3 | 170.6 | 0 | 0 | 0 | 111.4 | K350 C351 E357 A358 | K350-L354 WeakPolarHBondContact O-CG 3.35Å; K350-L354 PolarHBondContact O-N 3.26Å; C351-L354 PolarHBondContact O-N 3.31Å; C351-L354 VanDerWaalsContact O-N 3.12Å; L354-E357 PolarHBondContact O-N 2.98Å; L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.35Å |
| 355 | E | 96.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 112.6 Ų | 112.6 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 170.8 | -79.9 | -172.1 | -126.6 | 0 | 0 | 111.5 | C351 E357 A358 R359 | C351-E355 PolarHBondContact O-N 3.09Å; E355-E357 VanDerWaalsContact C-N 3.29Å; E355-E357 PolarHBondContact O-N 3.45Å; E355-A358 PolarHBondContact O-N 3.18Å; E355-R359 WeakPolarHBondContact O-CB 3.28Å; E355-R359 WeakPolarHBondContact O-CD 3.43Å; E355-R359 WeakPolarHBondContact O-CG 3.23Å; E355-R359 PolarHBondContact O-N 3.32Å; E355-R359 IonicContact OE2-CZ 3.74Å; E355-R359 IonicContact OE2-NE 2.8Å; E355-R359 IonicContact OE2-NH2 3.84Å; E355-R359 PolarHBondContact OE2-NH2 3.03Å |
| 356 | Q | 97.6 | Very high | 97.2 | Very high | 110 Ų | 110 | 114.5 Ų | 114.5 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 174.3 | -73.8 | -178.5 | 34.9 | 0 | 0 | 112 | E352 S353 K360 | E352-Q356 WeakPolarHBondContact O-CG 3.34Å; E352-Q356 PolarHBondContact O-N 3.36Å; S353-Q356 PolarHBondContact O-N 3.26Å; Q356-K360 WeakPolarHBondContact O-CB 3.26Å; Q356-K360 VanDerWaalsContact O-CD 3.32Å; Q356-K360 WeakPolarHBondContact O-CD 3.38Å; Q356-K360 WeakPolarHBondContact O-CG 3.26Å; Q356-K360 PolarHBondContact O-N 3.32Å |
| 357 | E | 97.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 114.5 Ų | 114.5 | 42% | 0.416 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 175.2 | -160.4 | -171.4 | 144.3 | 0 | 0 | 112.1 | S353 L354 E355 K360 K361 | S353-E357 PolarHBondContact O-N 2.88Å; L354-E357 PolarHBondContact O-N 2.98Å; E355-E357 VanDerWaalsContact C-N 3.29Å; E355-E357 PolarHBondContact O-N 3.45Å; E357-K360 WeakPolarHBondContact O-CB 3.34Å; E357-K360 PolarHBondContact O-N 3.48Å; E357-K361 WeakPolarHBondContact O-CG 3.49Å; E357-K361 PolarHBondContact O-N 3.36Å; E357-K361 WeakPolarHBondContact OE1-CE 3.26Å; E357-K361 IonicContact OE1-NZ 2.65Å; E357-K361 PolarHBondContact OE1-NZ 2.94Å |
| 358 | A | 97.8 | Very high | 97.4 | Very high | 55 Ų | 55 | 113.2 Ų | 113.2 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L354 E355 K360 K361 Q362 | L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.35Å; E355-A358 PolarHBondContact O-N 3.18Å; A358-K360 VanDerWaalsContact C-N 3.31Å; A358-K360 PolarHBondContact O-N 3.29Å; A358-K361 PolarHBondContact O-N 3.11Å; A358-K361 VanDerWaalsContact O-N 3.15Å; A358-Q362 WeakPolarHBondContact O-CB 3.4Å; A358-Q362 PolarHBondContact O-N 3.46Å |
| 359 | R | 97.8 | Very high | 97.4 | Very high | 150 Ų | 150 | 109.5 Ų | 109.5 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.8 | -36.3 | 174.4 | -66.7 | 167.3 | -163.5 | -155.3 | 9.3 | 112.1 | E355 R363 | E355-R359 WeakPolarHBondContact O-CB 3.28Å; E355-R359 WeakPolarHBondContact O-CD 3.43Å; E355-R359 WeakPolarHBondContact O-CG 3.23Å; E355-R359 PolarHBondContact O-N 3.32Å; E355-R359 IonicContact OE2-CZ 3.74Å; E355-R359 IonicContact OE2-NE 2.8Å; E355-R359 IonicContact OE2-NH2 3.84Å; E355-R359 PolarHBondContact OE2-NH2 3.03Å; R359-R363 WeakPolarHBondContact O-CG 3.3Å; R359-R363 PolarHBondContact O-N 2.9Å |
| 360 | K | 98.3 | Very high | 97.5 | Very high | 122 Ų | 122 | 107.2 Ų | 107.2 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 173.5 | -74.4 | 162.3 | -172.2 | 165.4 | 0 | 112.3 | Q356 E357 A358 R364 | Q356-K360 WeakPolarHBondContact O-CB 3.26Å; Q356-K360 VanDerWaalsContact O-CD 3.32Å; Q356-K360 WeakPolarHBondContact O-CD 3.38Å; Q356-K360 WeakPolarHBondContact O-CG 3.26Å; Q356-K360 PolarHBondContact O-N 3.32Å; E357-K360 WeakPolarHBondContact O-CB 3.34Å; E357-K360 PolarHBondContact O-N 3.48Å; A358-K360 VanDerWaalsContact C-N 3.31Å; A358-K360 PolarHBondContact O-N 3.29Å; K360-R364 WeakPolarHBondContact O-CG 3.26Å; K360-R364 PolarHBondContact O-N 3.41Å |
| 361 | K | 98 | Very high | 97.6 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 175.2 | -75.6 | 172.2 | 179 | 167.7 | 0 | 111.2 | E357 A358 R363 R364 C365 | E357-K361 WeakPolarHBondContact O-CG 3.49Å; E357-K361 PolarHBondContact O-N 3.36Å; E357-K361 WeakPolarHBondContact OE1-CE 3.26Å; E357-K361 IonicContact OE1-NZ 2.65Å; E357-K361 PolarHBondContact OE1-NZ 2.94Å; A358-K361 PolarHBondContact O-N 3.11Å; A358-K361 VanDerWaalsContact O-N 3.15Å; K361-R363 PolarHBondContact O-N 3.33Å; K361-R364 WeakPolarHBondContact O-CB 3.48Å; K361-R364 PolarHBondContact O-N 3.43Å; K361-R364 VanDerWaalsContact O-N 3.09Å; K361-C365 PolarHBondContact O-N 2.86Å; K361-C365 PolarHBondContact O-SG 2.71Å; K361-C365 VanDerWaalsContact O-SG 3.34Å |
| 362 | Q | 98 | Very high | 97.7 | Very high | 117 Ų | 117 | 106.7 Ų | 106.7 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -47 | 177.4 | 179.2 | 172.9 | -21.7 | 0 | 0 | 112 | A358 R364 C365 E366 | A358-Q362 WeakPolarHBondContact O-CB 3.4Å; A358-Q362 PolarHBondContact O-N 3.46Å; Q362-R364 PolarHBondContact O-N 3.45Å; Q362-C365 CarbonylContact O-C 3.6Å; Q362-C365 WeakPolarHBondContact O-CA 3.45Å; Q362-C365 WeakPolarHBondContact O-CB 3.35Å; Q362-C365 PolarHBondContact O-N 2.91Å; Q362-E366 HydrophobicContact CG-CG 4.37Å; Q362-E366 VanDerWaalsContact CG-OE1 3.29Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.43Å; Q362-E366 PolarHBondContact NE2-OE1 3.37Å; Q362-E366 WeakPolarHBondContact O-CG 3.49Å; Q362-E366 PolarHBondContact O-N 2.9Å |
| 363 | R | 98.3 | Very high | 97.8 | Very high | 181 Ų | 181 | 108 Ų | 108 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.9 | -35.3 | 175 | -73 | 176.6 | -176.2 | -166.6 | 0.2 | 113.5 | R359 K361 E366 E367 | R359-R363 WeakPolarHBondContact O-CG 3.3Å; R359-R363 PolarHBondContact O-N 2.9Å; K361-R363 PolarHBondContact O-N 3.33Å; R363-E366 WeakPolarHBondContact CA-OE2 3.42Å; R363-E367 WeakPolarHBondContact O-CB 3.49Å; R363-E367 PolarHBondContact O-N 2.88Å |
| 364 | R | 98.3 | Very high | 97.9 | Very high | 170 Ų | 170 | 110.1 Ų | 110.1 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.1 | -36.3 | 173.5 | -69.9 | 171.9 | 175.6 | -176.4 | -2.1 | 112 | K360 K361 Q362 L368 | K360-R364 WeakPolarHBondContact O-CG 3.26Å; K360-R364 PolarHBondContact O-N 3.41Å; K361-R364 WeakPolarHBondContact O-CB 3.48Å; K361-R364 PolarHBondContact O-N 3.43Å; K361-R364 VanDerWaalsContact O-N 3.09Å; Q362-R364 PolarHBondContact O-N 3.45Å; R364-L368 WeakPolarHBondContact O-CB 3.49Å; R364-L368 WeakPolarHBondContact O-CD1 3.29Å; R364-L368 WeakPolarHBondContact O-CG 3.36Å; R364-L368 PolarHBondContact O-N 3.05Å |
| 365 | C | 96.8 | Very high | 98 | Very high | 70 Ų | 70 | 107.5 Ų | 107.5 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 172.1 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | K361 Q362 E367 L368 E369 | K361-C365 PolarHBondContact O-N 2.86Å; K361-C365 PolarHBondContact O-SG 2.71Å; K361-C365 VanDerWaalsContact O-SG 3.34Å; Q362-C365 CarbonylContact O-C 3.6Å; Q362-C365 WeakPolarHBondContact O-CA 3.45Å; Q362-C365 WeakPolarHBondContact O-CB 3.35Å; Q362-C365 PolarHBondContact O-N 2.91Å; C365-E367 VanDerWaalsContact C-N 3.32Å; C365-E367 PolarHBondContact O-N 2.94Å; C365-L368 PolarHBondContact O-N 3.5Å; C365-E369 WeakPolarHBondContact O-CB 3.4Å; C365-E369 WeakPolarHBondContact O-CG 3.43Å; C365-E369 PolarHBondContact O-N 2.86Å |
| 366 | E | 98.2 | Very high | 98.1 | Very high | 91 Ų | 91 | 108.2 Ų | 108.2 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 176.7 | -68.7 | 162.3 | 176.8 | 0 | 0 | 111.8 | Q362 R363 L370 | Q362-E366 HydrophobicContact CG-CG 4.37Å; Q362-E366 VanDerWaalsContact CG-OE1 3.29Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.43Å; Q362-E366 PolarHBondContact NE2-OE1 3.37Å; Q362-E366 WeakPolarHBondContact O-CG 3.49Å; Q362-E366 PolarHBondContact O-N 2.9Å; R363-E366 WeakPolarHBondContact CA-OE2 3.42Å; E366-L370 WeakPolarHBondContact O-CB 3.49Å; E366-L370 PolarHBondContact O-N 2.83Å; E366-L370 VanDerWaalsContact O-N 3.1Å |
| 367 | E | 98.3 | Very high | 98.1 | Very high | 116 Ų | 116 | 108.5 Ų | 108.5 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 174.5 | -175.7 | 174.2 | -161 | 0 | 0 | 112.6 | R363 C365 L370 Q371 | R363-E367 WeakPolarHBondContact O-CB 3.49Å; R363-E367 PolarHBondContact O-N 2.88Å; C365-E367 VanDerWaalsContact C-N 3.32Å; C365-E367 PolarHBondContact O-N 2.94Å; E367-L370 PolarHBondContact O-N 2.89Å; E367-Q371 WeakPolarHBondContact O-CG 3.44Å; E367-Q371 PolarHBondContact O-N 3.28Å |
| 368 | L | 98.3 | Very high | 98.1 | Very high | 109 Ų | 109 | 110.6 Ų | 110.6 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.6 | -35.4 | 177.3 | -72.9 | 168.9 | 0 | 0 | 0 | 112.7 | R364 C365 L370 Q371 L372 | R364-L368 WeakPolarHBondContact O-CB 3.49Å; R364-L368 WeakPolarHBondContact O-CD1 3.29Å; R364-L368 WeakPolarHBondContact O-CG 3.36Å; R364-L368 PolarHBondContact O-N 3.05Å; C365-L368 PolarHBondContact O-N 3.5Å; L368-L370 VanDerWaalsContact C-N 3.34Å; L368-Q371 PolarHBondContact O-N 3.34Å; L368-L372 WeakPolarHBondContact O-CB 3.4Å; L368-L372 PolarHBondContact O-N 3.16Å |
| 369 | E | 98.1 | Very high | 98.2 | Very high | 90 Ų | 90 | 112.9 Ų | 112.9 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 171 | -78.3 | -176.1 | -154.3 | 0 | 0 | 111.6 | C365 L372 R373 | C365-E369 WeakPolarHBondContact O-CB 3.4Å; C365-E369 WeakPolarHBondContact O-CG 3.43Å; C365-E369 PolarHBondContact O-N 2.86Å; E369-L372 PolarHBondContact O-N 3.45Å; E369-R373 WeakPolarHBondContact O-CB 3.26Å; E369-R373 VanDerWaalsContact O-CG 3.28Å; E369-R373 WeakPolarHBondContact O-CG 3.35Å; E369-R373 PolarHBondContact O-N 3.4Å; E369-R373 IonicContact OE2-CZ 3.62Å; E369-R373 IonicContact OE2-NH1 2.66Å; E369-R373 PolarHBondContact OE2-NH1 2.9Å; E369-R373 IonicContact OE2-NH2 3.83Å; E369-R373 PolarHBondContact OE2-NH2 3Å |
| 370 | L | 98.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 108.3 Ų | 108.3 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 178 | -173.8 | 141.8 | 0 | 0 | 0 | 111.2 | E366 E367 L368 R373 Q374 | E366-L370 WeakPolarHBondContact O-CB 3.49Å; E366-L370 PolarHBondContact O-N 2.83Å; E366-L370 VanDerWaalsContact O-N 3.1Å; E367-L370 PolarHBondContact O-N 2.89Å; L368-L370 VanDerWaalsContact C-N 3.34Å; L370-R373 PolarHBondContact O-N 2.93Å; L370-Q374 HydrophobicContact CD2-CG 4.46Å; L370-Q374 WeakPolarHBondContact O-CG 3.36Å; L370-Q374 PolarHBondContact O-N 2.96Å |
| 371 | Q | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 110.6 Ų | 110.6 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 171.3 | -69.7 | 174.4 | 16 | 0 | 0 | 112.1 | E367 L368 Q374 A375 | E367-Q371 WeakPolarHBondContact O-CG 3.44Å; E367-Q371 PolarHBondContact O-N 3.28Å; L368-Q371 PolarHBondContact O-N 3.34Å; Q371-Q374 PolarHBondContact O-N 3.49Å; Q371-A375 WeakPolarHBondContact O-CB 3.33Å; Q371-A375 PolarHBondContact O-N 2.83Å |
| 372 | L | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 110.2 Ų | 110.2 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 175.7 | 179.5 | 61 | 0 | 0 | 0 | 111.7 | L368 E369 Q374 A375 Q376 | L368-L372 WeakPolarHBondContact O-CB 3.4Å; L368-L372 PolarHBondContact O-N 3.16Å; E369-L372 PolarHBondContact O-N 3.45Å; L372-Q374 VanDerWaalsContact C-N 3.35Å; L372-A375 PolarHBondContact O-N 3.19Å; L372-Q376 HydrophobicContact CD1-CG 4.49Å; L372-Q376 WeakPolarHBondContact O-CB 3.23Å; L372-Q376 VanDerWaalsContact O-CG 3.24Å; L372-Q376 WeakPolarHBondContact O-CG 3.37Å; L372-Q376 PolarHBondContact O-N 2.82Å |
| 373 | R | 98.3 | Very high | 98.3 | Very high | 131 Ų | 131 | 108.9 Ų | 108.9 | 49% | 0.494 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 174.8 | -71.8 | 169.3 | -176 | 123.1 | 10.1 | 111.8 | E369 L370 Q376 N377 | E369-R373 WeakPolarHBondContact O-CB 3.26Å; E369-R373 VanDerWaalsContact O-CG 3.28Å; E369-R373 WeakPolarHBondContact O-CG 3.35Å; E369-R373 PolarHBondContact O-N 3.4Å; E369-R373 IonicContact OE2-CZ 3.62Å; E369-R373 IonicContact OE2-NH1 2.66Å; E369-R373 PolarHBondContact OE2-NH1 2.9Å; E369-R373 IonicContact OE2-NH2 3.83Å; E369-R373 PolarHBondContact OE2-NH2 3Å; L370-R373 PolarHBondContact O-N 2.93Å; R373-Q376 PolarHBondContact O-N 3.46Å; R373-N377 VanDerWaalsContact O-CG 3.23Å; R373-N377 PolarHBondContact O-N 3.07Å; R373-N377 PolarHBondContact O-ND2 2.83Å |
| 374 | Q | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 106.7 Ų | 106.7 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 173.1 | -75.6 | 172.4 | -17 | 0 | 0 | 111.4 | L370 Q371 L372 Q376 N377 E378 | L370-Q374 HydrophobicContact CD2-CG 4.46Å; L370-Q374 WeakPolarHBondContact O-CG 3.36Å; L370-Q374 PolarHBondContact O-N 2.96Å; Q371-Q374 PolarHBondContact O-N 3.49Å; L372-Q374 VanDerWaalsContact C-N 3.35Å; Q374-Q376 VanDerWaalsContact C-N 3.3Å; Q374-Q376 PolarHBondContact O-N 2.65Å; Q374-N377 PolarHBondContact O-N 2.86Å; Q374-N377 VanDerWaalsContact O-N 3.14Å; Q374-E378 WeakPolarHBondContact O-CG 3.43Å; Q374-E378 PolarHBondContact O-N 3.26Å |
| 375 | A | 98.3 | Very high | 98.3 | Very high | 52 Ų | 52 | 101.6 Ų | 101.6 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q371 L372 N379 | Q371-A375 WeakPolarHBondContact O-CB 3.33Å; Q371-A375 PolarHBondContact O-N 2.83Å; L372-A375 PolarHBondContact O-N 3.19Å; A375-N379 VanDerWaalsContact O-CB 3.25Å; A375-N379 WeakPolarHBondContact O-CB 3.19Å; A375-N379 PolarHBondContact O-N 3.41Å |
| 376 | Q | 98.3 | Very high | 98.3 | Very high | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 172.7 | -75.8 | 168.4 | -11.2 | 0 | 0 | 111.8 | L372 R373 Q374 N379 A380 | L372-Q376 HydrophobicContact CD1-CG 4.49Å; L372-Q376 WeakPolarHBondContact O-CB 3.23Å; L372-Q376 VanDerWaalsContact O-CG 3.24Å; L372-Q376 WeakPolarHBondContact O-CG 3.37Å; L372-Q376 PolarHBondContact O-N 2.82Å; R373-Q376 PolarHBondContact O-N 3.46Å; Q374-Q376 VanDerWaalsContact C-N 3.3Å; Q374-Q376 PolarHBondContact O-N 2.65Å; Q376-N379 PolarHBondContact O-N 3.47Å; Q376-A380 WeakPolarHBondContact O-CB 3.39Å; Q376-A380 PolarHBondContact O-N 2.86Å |
| 377 | N | 98.3 | Very high | 98.4 | Very high | 116 Ų | 116 | 102.9 Ų | 102.9 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 177.6 | -68.8 | -22.5 | 0 | 0 | 0 | 112.3 | R373 Q374 A380 R381 | R373-N377 VanDerWaalsContact O-CG 3.23Å; R373-N377 PolarHBondContact O-N 3.07Å; R373-N377 PolarHBondContact O-ND2 2.83Å; Q374-N377 PolarHBondContact O-N 2.86Å; Q374-N377 VanDerWaalsContact O-N 3.14Å; N377-A380 PolarHBondContact O-N 2.88Å; N377-R381 PolarHBondContact O-N 3.28Å; N377-R381 VanDerWaalsContact O-N 3.07Å |
| 378 | E | 98.4 | Very high | 98.4 | Very high | 133 Ų | 133 | 104.3 Ų | 104.3 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 174.6 | -72 | -175.4 | 166.1 | 0 | 0 | 111.8 | Q374 R381 L382 | Q374-E378 WeakPolarHBondContact O-CG 3.43Å; Q374-E378 PolarHBondContact O-N 3.26Å; E378-R381 PolarHBondContact O-N 2.86Å; E378-L382 WeakPolarHBondContact O-CB 3.37Å; E378-L382 VanDerWaalsContact O-CG 3.29Å; E378-L382 WeakPolarHBondContact O-CG 3.29Å; E378-L382 PolarHBondContact O-N 2.85Å |
| 379 | N | 98.2 | Very high | 98.4 | Very high | 103 Ų | 103 | 103 Ų | 103 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 176.6 | -166.8 | 12.8 | 0 | 0 | 0 | 111.7 | A375 Q376 R381 L382 V383 | A375-N379 VanDerWaalsContact O-CB 3.25Å; A375-N379 WeakPolarHBondContact O-CB 3.19Å; A375-N379 PolarHBondContact O-N 3.41Å; Q376-N379 PolarHBondContact O-N 3.47Å; N379-R381 PolarHBondContact O-N 2.8Å; N379-L382 PolarHBondContact O-N 3Å; N379-L382 VanDerWaalsContact O-N 3.15Å; N379-V383 WeakPolarHBondContact O-CG2 3.42Å; N379-V383 PolarHBondContact O-N 3.33Å |
| 380 | A | 98.5 | Very high | 98.4 | Very high | 54 Ų | 54 | 102 Ų | 102 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q376 N377 L382 V383 E384 | Q376-A380 WeakPolarHBondContact O-CB 3.39Å; Q376-A380 PolarHBondContact O-N 2.86Å; N377-A380 PolarHBondContact O-N 2.88Å; A380-L382 VanDerWaalsContact C-N 3.32Å; A380-L382 PolarHBondContact O-N 3.38Å; A380-V383 WeakPolarHBondContact O-CB 3.43Å; A380-V383 PolarHBondContact O-N 2.9Å; A380-V383 VanDerWaalsContact O-N 3.17Å; A380-E384 PolarHBondContact O-N 2.85Å; A380-E384 VanDerWaalsContact O-N 3.08Å |
| 381 | R | 98.6 | Very high | 98.4 | Very high | 170 Ų | 170 | 98.7 Ų | 98.7 | 64% | 0.642 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -39.7 | 174.3 | 177.8 | -174.8 | 159 | -158 | -11 | 112.5 | N377 E378 N379 V383 E384 E385 | N377-R381 PolarHBondContact O-N 3.28Å; N377-R381 VanDerWaalsContact O-N 3.07Å; E378-R381 PolarHBondContact O-N 2.86Å; N379-R381 PolarHBondContact O-N 2.8Å; R381-V383 VanDerWaalsContact C-N 3.34Å; R381-E384 PolarHBondContact O-N 2.96Å; R381-E385 WeakPolarHBondContact O-CB 3.42Å; R381-E385 PolarHBondContact O-N 2.84Å |
| 382 | L | 98.5 | Very high | 98.4 | Very high | 107 Ų | 107 | 101.4 Ų | 101.4 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.5 | -33.4 | 177.3 | -74.2 | 170.4 | 0 | 0 | 0 | 112.1 | E378 N379 A380 E385 N386 | E378-L382 WeakPolarHBondContact O-CB 3.37Å; E378-L382 VanDerWaalsContact O-CG 3.29Å; E378-L382 WeakPolarHBondContact O-CG 3.29Å; E378-L382 PolarHBondContact O-N 2.85Å; N379-L382 PolarHBondContact O-N 3Å; N379-L382 VanDerWaalsContact O-N 3.15Å; A380-L382 VanDerWaalsContact C-N 3.32Å; A380-L382 PolarHBondContact O-N 3.38Å; L382-E385 PolarHBondContact O-N 3.2Å; L382-N386 WeakPolarHBondContact O-CB 3.27Å; L382-N386 PolarHBondContact O-N 2.8Å |
| 383 | V | 98.6 | Very high | 98.4 | Very high | 90 Ų | 90 | 98.5 Ų | 98.5 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 172.8 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | N379 A380 R381 N386 S387 | N379-V383 WeakPolarHBondContact O-CG2 3.42Å; N379-V383 PolarHBondContact O-N 3.33Å; A380-V383 WeakPolarHBondContact O-CB 3.43Å; A380-V383 PolarHBondContact O-N 2.9Å; A380-V383 VanDerWaalsContact O-N 3.17Å; R381-V383 VanDerWaalsContact C-N 3.34Å; V383-N386 PolarHBondContact O-N 3.3Å; V383-S387 PolarHBondContact O-N 3.18Å; V383-S387 PolarHBondContact O-OG 3.4Å |
| 384 | E | 98.4 | Very high | 98.4 | Very high | 135 Ų | 135 | 96.1 Ų | 96.1 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 173.5 | -68.3 | 178.7 | 172.9 | 0 | 0 | 112.8 | A380 R381 N386 S387 R388 | A380-E384 PolarHBondContact O-N 2.85Å; A380-E384 VanDerWaalsContact O-N 3.08Å; R381-E384 PolarHBondContact O-N 2.96Å; E384-N386 VanDerWaalsContact C-N 3.34Å; E384-S387 PolarHBondContact O-OG 3.45Å; E384-S387 VanDerWaalsContact O-OG 3.06Å; E384-R388 VanDerWaalsContact O-CB 3.29Å; E384-R388 WeakPolarHBondContact O-CB 3.48Å; E384-R388 PolarHBondContact O-N 2.81Å |
| 385 | E | 98.4 | Very high | 98.4 | Very high | 62 Ų | 62 | 96.7 Ų | 96.7 | 29% | 0.29 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 174.7 | 177.6 | 127.2 | -128.3 | 0 | 0 | 111.1 | R381 L382 R388 L389 | R381-E385 WeakPolarHBondContact O-CB 3.42Å; R381-E385 PolarHBondContact O-N 2.84Å; L382-E385 PolarHBondContact O-N 3.2Å; E385-R388 IonicContact OE1-CZ 3.24Å; E385-R388 IonicContact OE1-NH2 2.68Å; E385-R388 PolarHBondContact OE1-NH2 2.9Å; E385-L389 HydrophobicContact CG-CD1 3.94Å; E385-L389 WeakPolarHBondContact O-CB 3.21Å; E385-L389 WeakPolarHBondContact O-CG 3.1Å; E385-L389 PolarHBondContact O-N 3.47Å |
| 386 | N | 98.4 | Very high | 98.4 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.3 | -42.7 | 178.4 | -163.9 | -3.7 | 0 | 0 | 0 | 112.1 | L382 V383 E384 R388 L389 S390 | L382-N386 WeakPolarHBondContact O-CB 3.27Å; L382-N386 PolarHBondContact O-N 2.8Å; V383-N386 PolarHBondContact O-N 3.3Å; E384-N386 VanDerWaalsContact C-N 3.34Å; N386-R388 VanDerWaalsContact C-N 3.35Å; N386-R388 PolarHBondContact O-N 2.86Å; N386-L389 PolarHBondContact O-N 2.82Å; N386-S390 WeakPolarHBondContact O-CB 3.43Å; N386-S390 PolarHBondContact O-N 2.85Å |
| 387 | S | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 99.9 Ų | 99.9 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 174.9 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | V383 E384 S390 G391 | V383-S387 PolarHBondContact O-N 3.18Å; V383-S387 PolarHBondContact O-OG 3.4Å; E384-S387 PolarHBondContact O-OG 3.45Å; E384-S387 VanDerWaalsContact O-OG 3.06Å; S387-S390 WeakPolarHBondContact O-CB 3.19Å; S387-S390 PolarHBondContact O-N 2.91Å; S387-G391 PolarHBondContact O-N 2.85Å |
| 388 | R | 98.6 | Very high | 98.5 | Very high | 145 Ų | 145 | 99.9 Ų | 99.9 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 171.9 | -178.2 | 179.6 | 70.5 | 178.1 | 1.7 | 112.9 | E384 E385 N386 R392 | E384-R388 VanDerWaalsContact O-CB 3.29Å; E384-R388 WeakPolarHBondContact O-CB 3.48Å; E384-R388 PolarHBondContact O-N 2.81Å; E385-R388 IonicContact OE1-CZ 3.24Å; E385-R388 IonicContact OE1-NH2 2.68Å; E385-R388 PolarHBondContact OE1-NH2 2.9Å; N386-R388 VanDerWaalsContact C-N 3.35Å; N386-R388 PolarHBondContact O-N 2.86Å; R388-R392 VanDerWaalsContact O-CG 3.31Å; R388-R392 WeakPolarHBondContact O-CG 3.35Å; R388-R392 PolarHBondContact O-N 3.35Å |
| 389 | L | 98.5 | Very high | 98.5 | Very high | 83 Ų | 83 | 97.7 Ų | 97.7 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71 | -34.2 | 176.8 | -74.3 | 168.8 | 0 | 0 | 0 | 112 | E385 N386 R392 A393 | E385-L389 HydrophobicContact CG-CD1 3.94Å; E385-L389 WeakPolarHBondContact O-CB 3.21Å; E385-L389 WeakPolarHBondContact O-CG 3.1Å; E385-L389 PolarHBondContact O-N 3.47Å; N386-L389 PolarHBondContact O-N 2.82Å; L389-R392 PolarHBondContact O-N 3.49Å; L389-A393 PolarHBondContact O-N 3.4Å |
| 390 | S | 98.3 | Very high | 98.5 | Very high | 67 Ų | 67 | 97.8 Ų | 97.8 | 47% | 0.469 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 173.9 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | N386 S387 R392 A393 T394 | N386-S390 WeakPolarHBondContact O-CB 3.43Å; N386-S390 PolarHBondContact O-N 2.85Å; S387-S390 WeakPolarHBondContact O-CB 3.19Å; S387-S390 PolarHBondContact O-N 2.91Å; S390-R392 VanDerWaalsContact C-N 3.3Å; S390-R392 PolarHBondContact O-N 2.94Å; S390-A393 WeakPolarHBondContact O-CA 3.41Å; S390-A393 VanDerWaalsContact O-CB 3.31Å; S390-A393 WeakPolarHBondContact O-CB 3.31Å; S390-A393 PolarHBondContact O-N 3.38Å; S390-T394 PolarHBondContact O-N 3.23Å |
| 391 | G | 98.5 | Very high | 98.5 | Very high | 27 Ų | 27 | 103.5 Ų | 103.5 | 28% | 0.278 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S387 A393 T394 E395 | S387-G391 PolarHBondContact O-N 2.85Å; G391-A393 PolarHBondContact O-N 3.08Å; G391-T394 PolarHBondContact O-N 3.11Å; G391-T394 PolarHBondContact O-OG1 2.72Å; G391-E395 WeakPolarHBondContact O-CB 3.49Å; G391-E395 VanDerWaalsContact O-CG 3.3Å; G391-E395 WeakPolarHBondContact O-CG 3.41Å; G391-E395 PolarHBondContact O-N 2.94Å |
| 392 | R | 98.5 | Very high | 98.5 | Very high | 149 Ų | 149 | 99 Ų | 99 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.4 | -17.8 | 174.5 | -69.6 | 179.8 | 66.7 | -140.9 | -4.5 | 114.3 | R388 L389 S390 K396 | R388-R392 VanDerWaalsContact O-CG 3.31Å; R388-R392 WeakPolarHBondContact O-CG 3.35Å; R388-R392 PolarHBondContact O-N 3.35Å; L389-R392 PolarHBondContact O-N 3.49Å; S390-R392 VanDerWaalsContact C-N 3.3Å; S390-R392 PolarHBondContact O-N 2.94Å; R392-K396 WeakPolarHBondContact O-CB 3.45Å; R392-K396 PolarHBondContact O-N 3.36Å |
| 393 | A | 98.2 | Very high | 98.5 | Very high | 41 Ų | 41 | 97.3 Ų | 97.3 | 34% | 0.339 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78.1 | -45.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L389 S390 G391 K396 E397 | L389-A393 PolarHBondContact O-N 3.4Å; S390-A393 WeakPolarHBondContact O-CA 3.41Å; S390-A393 VanDerWaalsContact O-CB 3.31Å; S390-A393 WeakPolarHBondContact O-CB 3.31Å; S390-A393 PolarHBondContact O-N 3.38Å; G391-A393 PolarHBondContact O-N 3.08Å; A393-K396 WeakPolarHBondContact O-CB 3.32Å; A393-K396 PolarHBondContact O-N 3.28Å; A393-K396 VanDerWaalsContact O-N 3.14Å; A393-E397 WeakPolarHBondContact O-CG 3.41Å; A393-E397 PolarHBondContact O-N 2.88Å |
| 394 | T | 98.4 | Very high | 98.5 | Very high | 80 Ų | 80 | 95.8 Ų | 95.8 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 177.6 | 55 | 0 | 0 | 0 | 0 | 112.5 | S390 G391 K396 E397 Q398 | S390-T394 PolarHBondContact O-N 3.23Å; G391-T394 PolarHBondContact O-N 3.11Å; G391-T394 PolarHBondContact O-OG1 2.72Å; T394-K396 VanDerWaalsContact C-N 3.29Å; T394-K396 PolarHBondContact O-N 3.24Å; T394-E397 PolarHBondContact O-N 3.24Å; T394-Q398 PolarHBondContact O-N 3.05Å |
| 395 | E | 98.5 | Very high | 98.5 | Very high | 118 Ų | 118 | 93.3 Ų | 93.3 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.9 | -45.1 | 168.7 | -75.3 | 168.4 | -174.3 | 0 | 0 | 111.9 | G391 V399 | G391-E395 WeakPolarHBondContact O-CB 3.49Å; G391-E395 VanDerWaalsContact O-CG 3.3Å; G391-E395 WeakPolarHBondContact O-CG 3.41Å; G391-E395 PolarHBondContact O-N 2.94Å; E395-V399 WeakPolarHBondContact O-CG2 3.39Å; E395-V399 PolarHBondContact O-N 2.95Å; E395-V399 VanDerWaalsContact O-N 3.08Å |
| 396 | K | 98.4 | Very high | 98.5 | Very high | 108 Ų | 108 | 95.2 Ų | 95.2 | 47% | 0.47 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 179.7 | 177.4 | -169.5 | 158.2 | -69.8 | 0 | 111.5 | R392 A393 T394 V399 E400 | R392-K396 WeakPolarHBondContact O-CB 3.45Å; R392-K396 PolarHBondContact O-N 3.36Å; A393-K396 WeakPolarHBondContact O-CB 3.32Å; A393-K396 PolarHBondContact O-N 3.28Å; A393-K396 VanDerWaalsContact O-N 3.14Å; T394-K396 VanDerWaalsContact C-N 3.29Å; T394-K396 PolarHBondContact O-N 3.24Å; K396-V399 PolarHBondContact O-N 3.1Å; K396-E400 WeakPolarHBondContact CE-OE1 3.39Å; K396-E400 IonicContact NZ-OE1 3.98Å; K396-E400 PolarHBondContact NZ-OE1 3.2Å; K396-E400 IonicContact NZ-OE2 2.74Å; K396-E400 PolarHBondContact NZ-OE2 2.93Å; K396-E400 WeakPolarHBondContact O-CB 3.38Å; K396-E400 WeakPolarHBondContact O-CG 3.45Å; K396-E400 PolarHBondContact O-N 2.92Å |
| 397 | E | 98.5 | Very high | 98.5 | Very high | 121 Ų | 121 | 97.5 Ų | 97.5 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 177.6 | -73.7 | 169.8 | -178.6 | 0 | 0 | 111.5 | A393 T394 E400 W401 | A393-E397 WeakPolarHBondContact O-CG 3.41Å; A393-E397 PolarHBondContact O-N 2.88Å; T394-E397 PolarHBondContact O-N 3.24Å; E397-E400 PolarHBondContact O-N 3.31Å; E397-W401 PolarHBondContact O-N 3.32Å |
| 398 | Q | 98.7 | Very high | 98.6 | Very high | 115 Ų | 115 | 95.6 Ų | 95.6 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.2 | -51.6 | 171.1 | 178.9 | -178.5 | -21.4 | 0 | 0 | 111.2 | T394 E400 W401 E402 | T394-Q398 PolarHBondContact O-N 3.05Å; Q398-E400 VanDerWaalsContact C-N 3.26Å; Q398-E400 PolarHBondContact O-N 3.25Å; Q398-W401 WeakPolarHBondContact O-CB 3.38Å; Q398-W401 PolarHBondContact O-N 2.7Å; Q398-W401 VanDerWaalsContact O-N 3.1Å; Q398-E402 HydrophobicContact CG-CG 4.45Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.48Å; Q398-E402 PolarHBondContact NE2-OE1 3.13Å; Q398-E402 WeakPolarHBondContact O-CG 3.38Å; Q398-E402 PolarHBondContact O-N 2.89Å |
| 399 | V | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 53% | 0.527 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -31.3 | 179.2 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | E395 K396 N403 | E395-V399 WeakPolarHBondContact O-CG2 3.39Å; E395-V399 PolarHBondContact O-N 2.95Å; E395-V399 VanDerWaalsContact O-N 3.08Å; K396-V399 PolarHBondContact O-N 3.1Å; V399-N403 WeakPolarHBondContact O-CB 3.48Å; V399-N403 PolarHBondContact O-N 3.29Å |
| 400 | E | 98.5 | Very high | 98.6 | Very high | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.6 | -34 | 173.6 | -78.8 | 176 | 164.4 | 0 | 0 | 112.8 | K396 E397 Q398 A404 | K396-E400 WeakPolarHBondContact CE-OE1 3.39Å; K396-E400 IonicContact NZ-OE1 3.98Å; K396-E400 PolarHBondContact NZ-OE1 3.2Å; K396-E400 IonicContact NZ-OE2 2.74Å; K396-E400 PolarHBondContact NZ-OE2 2.93Å; K396-E400 WeakPolarHBondContact O-CB 3.38Å; K396-E400 WeakPolarHBondContact O-CG 3.45Å; K396-E400 PolarHBondContact O-N 2.92Å; E397-E400 PolarHBondContact O-N 3.31Å; Q398-E400 VanDerWaalsContact C-N 3.26Å; Q398-E400 PolarHBondContact O-N 3.25Å; E400-A404 WeakPolarHBondContact O-CB 3.49Å; E400-A404 PolarHBondContact O-N 2.93Å |
| 401 | W | 98.5 | Very high | 98.6 | Very high | 173 Ų | 173 | 96.9 Ų | 96.9 | 66% | 0.655 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.9 | -50.3 | 169.9 | 178.5 | 87.2 | 0 | 0 | 0 | 111.8 | E397 Q398 N403 A404 E405 | E397-W401 PolarHBondContact O-N 3.32Å; Q398-W401 WeakPolarHBondContact O-CB 3.38Å; Q398-W401 PolarHBondContact O-N 2.7Å; Q398-W401 VanDerWaalsContact O-N 3.1Å; W401-N403 PolarHBondContact O-N 3.42Å; W401-A404 WeakPolarHBondContact O-CA 3.27Å; W401-A404 WeakPolarHBondContact O-CB 3.4Å; W401-A404 PolarHBondContact O-N 3.13Å; W401-E405 PolarHBondContact O-N 2.84Å |
| 402 | E | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 96.9 Ų | 96.9 | 36% | 0.36 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 176.3 | -69.6 | 174.1 | -171.2 | 0 | 0 | 111.2 | Q398 A404 E405 L406 | Q398-E402 HydrophobicContact CG-CG 4.45Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.48Å; Q398-E402 PolarHBondContact NE2-OE1 3.13Å; Q398-E402 WeakPolarHBondContact O-CG 3.38Å; Q398-E402 PolarHBondContact O-N 2.89Å; E402-A404 VanDerWaalsContact C-N 3.33Å; E402-A404 PolarHBondContact O-N 3.18Å; E402-E405 PolarHBondContact O-N 3.47Å; E402-L406 WeakPolarHBondContact O-CB 3.42Å; E402-L406 VanDerWaalsContact O-CG 3.31Å; E402-L406 WeakPolarHBondContact O-CG 3.4Å; E402-L406 PolarHBondContact O-N 2.87Å |
| 403 | N | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 94 Ų | 94 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.6 | -22.4 | 176.9 | -153 | -100.3 | 0 | 0 | 0 | 113.4 | V399 W401 R407 | V399-N403 WeakPolarHBondContact O-CB 3.48Å; V399-N403 PolarHBondContact O-N 3.29Å; W401-N403 PolarHBondContact O-N 3.42Å; N403-R407 WeakPolarHBondContact O-CD 3.24Å; N403-R407 WeakPolarHBondContact O-CG 3.38Å; N403-R407 PolarHBondContact O-N 3.44Å; N403-R407 PolarHBondContact O-NE 3.07Å; N403-R407 PolarHBondContact OD1-NE 3.28Å; N403-R407 PolarHBondContact OD1-NH2 3.35Å |
| 404 | A | 98.6 | Very high | 98.6 | Very high | 58 Ų | 58 | 94.1 Ų | 94.1 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.3 | -44.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | E400 W401 E402 R407 G408 | E400-A404 WeakPolarHBondContact O-CB 3.49Å; E400-A404 PolarHBondContact O-N 2.93Å; W401-A404 WeakPolarHBondContact O-CA 3.27Å; W401-A404 WeakPolarHBondContact O-CB 3.4Å; W401-A404 PolarHBondContact O-N 3.13Å; E402-A404 VanDerWaalsContact C-N 3.33Å; E402-A404 PolarHBondContact O-N 3.18Å; A404-R407 WeakPolarHBondContact O-CB 3.44Å; A404-R407 PolarHBondContact O-N 3.02Å; A404-G408 PolarHBondContact O-N 3.25Å |
| 405 | E | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 96.2 Ų | 96.2 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 177.6 | 178.7 | 50.6 | -144.9 | 0 | 0 | 111.6 | W401 E402 R407 G408 Q409 | W401-E405 PolarHBondContact O-N 2.84Å; E402-E405 PolarHBondContact O-N 3.47Å; E405-R407 PolarHBondContact O-N 2.96Å; E405-G408 WeakPolarHBondContact O-CA 3.43Å; E405-G408 PolarHBondContact O-N 3.26Å; E405-Q409 PolarHBondContact O-N 3.17Å; E405-Q409 WeakPolarHBondContact OE1-CG 3.42Å; E405-Q409 PolarHBondContact OE1-NE2 3.43Å |
| 406 | L | 98.8 | Very high | 98.6 | Very high | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -28.2 | 175.5 | -70.9 | 171 | 0 | 0 | 0 | 113.3 | E402 L410 | E402-L406 WeakPolarHBondContact O-CB 3.42Å; E402-L406 VanDerWaalsContact O-CG 3.31Å; E402-L406 WeakPolarHBondContact O-CG 3.4Å; E402-L406 PolarHBondContact O-N 2.87Å; L406-L410 VanDerWaalsContact O-CB 3.27Å; L406-L410 WeakPolarHBondContact O-CB 3.31Å; L406-L410 PolarHBondContact O-N 3.33Å |
| 407 | R | 98.8 | Very high | 98.7 | Very high | 157 Ų | 157 | 98.3 Ų | 98.3 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.3 | -37.6 | 171.2 | -72.2 | 166.9 | -161.2 | -172.8 | 9.2 | 111.7 | N403 A404 E405 L410 L411 | N403-R407 WeakPolarHBondContact O-CD 3.24Å; N403-R407 WeakPolarHBondContact O-CG 3.38Å; N403-R407 PolarHBondContact O-N 3.44Å; N403-R407 PolarHBondContact O-NE 3.07Å; N403-R407 PolarHBondContact OD1-NE 3.28Å; N403-R407 PolarHBondContact OD1-NH2 3.35Å; A404-R407 WeakPolarHBondContact O-CB 3.44Å; A404-R407 PolarHBondContact O-N 3.02Å; E405-R407 PolarHBondContact O-N 2.96Å; R407-L410 PolarHBondContact O-N 3.36Å; R407-L411 WeakPolarHBondContact O-CB 3.23Å; R407-L411 VanDerWaalsContact O-CG 3.24Å; R407-L411 WeakPolarHBondContact O-CG 3.28Å; R407-L411 PolarHBondContact O-N 2.91Å |
| 408 | G | 98.8 | Very high | 98.7 | Very high | 40 Ų | 40 | 95 Ų | 95 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -51.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A404 E405 L410 L411 G412 | A404-G408 PolarHBondContact O-N 3.25Å; E405-G408 WeakPolarHBondContact O-CA 3.43Å; E405-G408 PolarHBondContact O-N 3.26Å; G408-L410 PolarHBondContact O-N 3.45Å; G408-L411 WeakPolarHBondContact O-CB 3.1Å; G408-L411 PolarHBondContact O-N 3.16Å; G408-L411 VanDerWaalsContact O-N 3.14Å; G408-G412 PolarHBondContact O-N 3.4Å |
| 409 | Q | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 91.4 Ų | 91.4 | 48% | 0.477 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59 | -46 | 176.5 | -64 | 175.8 | 11.5 | 0 | 0 | 112 | E405 L411 G412 V413 | E405-Q409 PolarHBondContact O-N 3.17Å; E405-Q409 WeakPolarHBondContact OE1-CG 3.42Å; E405-Q409 PolarHBondContact OE1-NE2 3.43Å; Q409-L411 VanDerWaalsContact C-N 3.3Å; Q409-L411 PolarHBondContact O-N 3.35Å; Q409-G412 PolarHBondContact O-N 2.91Å; Q409-G412 VanDerWaalsContact O-N 3.14Å; Q409-V413 PolarHBondContact O-N 2.92Å |
| 410 | L | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 90 Ų | 90 | 59% | 0.592 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61 | -36.5 | 175.7 | 179.5 | 61.8 | 0 | 0 | 0 | 112.8 | L406 R407 G408 T414 | L406-L410 VanDerWaalsContact O-CB 3.27Å; L406-L410 WeakPolarHBondContact O-CB 3.31Å; L406-L410 PolarHBondContact O-N 3.33Å; R407-L410 PolarHBondContact O-N 3.36Å; G408-L410 PolarHBondContact O-N 3.45Å; L410-T414 VanDerWaalsContact O-CB 3.28Å; L410-T414 WeakPolarHBondContact O-CB 3.46Å; L410-T414 PolarHBondContact O-N 3.17Å; L410-T414 PolarHBondContact O-OG1 2.9Å |
| 411 | L | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 89.1 Ų | 89.1 | 56% | 0.56 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.4 | -36.3 | 174.7 | -74.9 | 167.3 | 0 | 0 | 0 | 112.1 | R407 G408 Q409 Q415 | R407-L411 WeakPolarHBondContact O-CB 3.23Å; R407-L411 VanDerWaalsContact O-CG 3.24Å; R407-L411 WeakPolarHBondContact O-CG 3.28Å; R407-L411 PolarHBondContact O-N 2.91Å; G408-L411 WeakPolarHBondContact O-CB 3.1Å; G408-L411 PolarHBondContact O-N 3.16Å; G408-L411 VanDerWaalsContact O-N 3.14Å; Q409-L411 VanDerWaalsContact C-N 3.3Å; Q409-L411 PolarHBondContact O-N 3.35Å; L411-Q415 WeakPolarHBondContact O-CG 3.46Å; L411-Q415 PolarHBondContact O-N 2.83Å; L411-Q415 PolarHBondContact O-NE2 3.27Å; L411-Q415 VanDerWaalsContact O-NE2 3.14Å |
| 412 | G | 98.7 | Very high | 98.7 | Very high | 27 Ų | 27 | 87.6 Ų | 87.6 | 28% | 0.278 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -58.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G408 Q409 T414 Q415 E416 | G408-G412 PolarHBondContact O-N 3.4Å; Q409-G412 PolarHBondContact O-N 2.91Å; Q409-G412 VanDerWaalsContact O-N 3.14Å; G412-T414 PolarHBondContact O-N 2.66Å; G412-T414 VanDerWaalsContact O-N 3.17Å; G412-Q415 WeakPolarHBondContact O-CA 3.27Å; G412-Q415 WeakPolarHBondContact O-CB 3.38Å; G412-Q415 PolarHBondContact O-N 3.29Å; G412-E416 PolarHBondContact O-N 2.97Å |
| 413 | V | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 91.5 Ų | 91.5 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.3 | -32.8 | 178.3 | 176.5 | 0 | 0 | 0 | 0 | 112 | Q409 R417 | Q409-V413 PolarHBondContact O-N 2.92Å; V413-R417 WeakPolarHBondContact O-CB 3.49Å; V413-R417 PolarHBondContact O-N 3.49Å |
| 414 | T | 98.3 | Very high | 98.7 | Very high | 42 Ų | 42 | 90.7 Ų | 90.7 | 26% | 0.258 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 173.4 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | L410 G412 R417 D418 | L410-T414 VanDerWaalsContact O-CB 3.28Å; L410-T414 WeakPolarHBondContact O-CB 3.46Å; L410-T414 PolarHBondContact O-N 3.17Å; L410-T414 PolarHBondContact O-OG1 2.9Å; G412-T414 PolarHBondContact O-N 2.66Å; G412-T414 VanDerWaalsContact O-N 3.17Å; T414-R417 PolarHBondContact O-N 2.68Å; T414-D418 WeakPolarHBondContact O-CB 3.32Å; T414-D418 PolarHBondContact O-N 3.42Å |
| 415 | Q | 98.8 | Very high | 98.7 | Very high | 125 Ų | 125 | 93.3 Ų | 93.3 | 58% | 0.584 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.1 | -36 | 176.8 | -73.8 | 171.5 | 73.9 | 0 | 0 | 112.5 | L411 G412 D418 S419 | L411-Q415 WeakPolarHBondContact O-CG 3.46Å; L411-Q415 PolarHBondContact O-N 2.83Å; L411-Q415 PolarHBondContact O-NE2 3.27Å; L411-Q415 VanDerWaalsContact O-NE2 3.14Å; G412-Q415 WeakPolarHBondContact O-CA 3.27Å; G412-Q415 WeakPolarHBondContact O-CB 3.38Å; G412-Q415 PolarHBondContact O-N 3.29Å; Q415-D418 PolarHBondContact O-N 3.13Å; Q415-S419 VanDerWaalsContact O-CB 3.3Å; Q415-S419 WeakPolarHBondContact O-CB 3.43Å; Q415-S419 PolarHBondContact O-N 3.22Å; Q415-S419 PolarHBondContact O-OG 2.86Å |
| 416 | E | 98.6 | Very high | 98.7 | Very high | 132 Ų | 132 | 91.1 Ų | 91.1 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.2 | -52 | 172.6 | -70.9 | 173.1 | 177.9 | 0 | 0 | 110.9 | G412 D418 S419 A420 | G412-E416 PolarHBondContact O-N 2.97Å; E416-D418 VanDerWaalsContact C-N 3.31Å; E416-D418 PolarHBondContact O-N 2.79Å; E416-S419 CarbonylContact O-C 3.51Å; E416-S419 PolarHBondContact O-N 3.44Å; E416-A420 PolarHBondContact O-N 2.96Å |
| 417 | R | 98.7 | Very high | 98.7 | Very high | 137 Ų | 137 | 91.2 Ų | 91.2 | 52% | 0.517 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -52.3 | -49.1 | 173.6 | -177.8 | -156.9 | 71.4 | -163.8 | -2.3 | 111.3 | V413 T414 S419 A420 L421 | V413-R417 WeakPolarHBondContact O-CB 3.49Å; V413-R417 PolarHBondContact O-N 3.49Å; T414-R417 PolarHBondContact O-N 2.68Å; R417-S419 PolarHBondContact O-N 2.79Å; R417-A420 PolarHBondContact O-N 3.48Å; R417-L421 HydrophobicContact CG-CD1 4.1Å; R417-L421 WeakPolarHBondContact O-CB 3.45Å; R417-L421 WeakPolarHBondContact O-CG 3.25Å; R417-L421 PolarHBondContact O-N 2.93Å |
| 418 | D | 98.6 | Very high | 98.7 | Very high | 52 Ų | 52 | 88.6 Ų | 88.6 | 28% | 0.278 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.4 | -25.3 | -177.4 | -69.1 | -10.4 | 0 | 0 | 0 | 112.3 | T414 Q415 E416 R422 | T414-D418 WeakPolarHBondContact O-CB 3.32Å; T414-D418 PolarHBondContact O-N 3.42Å; Q415-D418 PolarHBondContact O-N 3.13Å; E416-D418 VanDerWaalsContact C-N 3.31Å; E416-D418 PolarHBondContact O-N 2.79Å; D418-R422 VanDerWaalsContact C-NH2 3.27Å; D418-R422 WeakPolarHBondContact O-CB 3.37Å; D418-R422 WeakPolarHBondContact O-CG 3.31Å; D418-R422 VanDerWaalsContact O-CZ 3.32Å; D418-R422 PolarHBondContact O-N 3.06Å; D418-R422 VanDerWaalsContact O-N 3.07Å; D418-R422 PolarHBondContact O-NE 2.92Å; D418-R422 VanDerWaalsContact O-NE 3.07Å; D418-R422 PolarHBondContact O-NH2 2.88Å |
| 419 | S | 98.7 | Very high | 98.7 | Very high | 39 Ų | 39 | 90.1 Ų | 90.1 | 27% | 0.273 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -79.2 | -35.4 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | Q415 E416 R417 R422 K423 | Q415-S419 VanDerWaalsContact O-CB 3.3Å; Q415-S419 WeakPolarHBondContact O-CB 3.43Å; Q415-S419 PolarHBondContact O-N 3.22Å; Q415-S419 PolarHBondContact O-OG 2.86Å; E416-S419 CarbonylContact O-C 3.51Å; E416-S419 PolarHBondContact O-N 3.44Å; R417-S419 PolarHBondContact O-N 2.79Å; S419-R422 PolarHBondContact OG-NH1 2.96Å; S419-R422 VanDerWaalsContact OG-NH1 3.17Å; S419-R422 PolarHBondContact OG-NH2 3.02Å; S419-K423 WeakPolarHBondContact O-CG 3.4Å; S419-K423 PolarHBondContact O-N 2.74Å |
| 420 | A | 98.6 | Very high | 98.7 | Very high | 57 Ų | 57 | 91.6 Ų | 91.6 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E416 R417 K423 S424 | E416-A420 PolarHBondContact O-N 2.96Å; R417-A420 PolarHBondContact O-N 3.48Å; A420-K423 PolarHBondContact O-N 2.98Å; A420-S424 WeakPolarHBondContact O-CB 3.41Å; A420-S424 PolarHBondContact O-N 3.4Å |
| 421 | L | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 91.1 Ų | 91.1 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.5 | -73.2 | 170.3 | 0 | 0 | 0 | 111.7 | R417 K423 S424 Q425 | R417-L421 HydrophobicContact CG-CD1 4.1Å; R417-L421 WeakPolarHBondContact O-CB 3.45Å; R417-L421 WeakPolarHBondContact O-CG 3.25Å; R417-L421 PolarHBondContact O-N 2.93Å; L421-K423 VanDerWaalsContact C-N 3.34Å; L421-K423 PolarHBondContact O-N 3.18Å; L421-S424 WeakPolarHBondContact O-CB 3.4Å; L421-S424 PolarHBondContact O-N 3.45Å; L421-Q425 WeakPolarHBondContact O-CG 3.43Å; L421-Q425 PolarHBondContact O-N 3.18Å |
| 422 | R | 98.8 | Very high | 98.7 | Very high | 142 Ų | 142 | 91 Ų | 91 | 54% | 0.536 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 173.4 | -82.6 | 176.1 | -89.1 | 115.5 | -0.4 | 112.6 | D418 S419 G426 | D418-R422 VanDerWaalsContact C-NH2 3.27Å; D418-R422 WeakPolarHBondContact O-CB 3.37Å; D418-R422 WeakPolarHBondContact O-CG 3.31Å; D418-R422 VanDerWaalsContact O-CZ 3.32Å; D418-R422 PolarHBondContact O-N 3.06Å; D418-R422 VanDerWaalsContact O-N 3.07Å; D418-R422 PolarHBondContact O-NE 2.92Å; D418-R422 VanDerWaalsContact O-NE 3.07Å; D418-R422 PolarHBondContact O-NH2 2.88Å; S419-R422 PolarHBondContact OG-NH1 2.96Å; S419-R422 VanDerWaalsContact OG-NH1 3.17Å; S419-R422 PolarHBondContact OG-NH2 3.02Å; R422-G426 PolarHBondContact O-N 3.02Å; R422-G426 VanDerWaalsContact O-N 3.09Å |
| 423 | K | 98.7 | Very high | 98.7 | Very high | 158 Ų | 158 | 92.4 Ų | 92.4 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 173.3 | -74.1 | 173.4 | -179.4 | -178.4 | 0 | 111.8 | S419 A420 L421 G426 L427 | S419-K423 WeakPolarHBondContact O-CG 3.4Å; S419-K423 PolarHBondContact O-N 2.74Å; A420-K423 PolarHBondContact O-N 2.98Å; L421-K423 VanDerWaalsContact C-N 3.34Å; L421-K423 PolarHBondContact O-N 3.18Å; K423-G426 PolarHBondContact O-N 3.14Å; K423-L427 WeakPolarHBondContact O-CG 3.33Å; K423-L427 PolarHBondContact O-N 3.39Å |
| 424 | S | 98.6 | Very high | 98.7 | Very high | 54 Ų | 54 | 93 Ų | 93 | 38% | 0.378 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 112 | A420 L421 G426 L427 Q428 | A420-S424 WeakPolarHBondContact O-CB 3.41Å; A420-S424 PolarHBondContact O-N 3.4Å; L421-S424 WeakPolarHBondContact O-CB 3.4Å; L421-S424 PolarHBondContact O-N 3.45Å; S424-G426 VanDerWaalsContact C-N 3.33Å; S424-G426 PolarHBondContact O-N 2.87Å; S424-L427 CarbonylContact O-C 3.53Å; S424-L427 WeakPolarHBondContact O-CA 3.28Å; S424-L427 WeakPolarHBondContact O-CB 3.46Å; S424-L427 PolarHBondContact O-N 3.46Å; S424-Q428 WeakPolarHBondContact O-CG 3.48Å; S424-Q428 PolarHBondContact O-N 2.96Å |
| 425 | Q | 98.7 | Very high | 98.7 | Very high | 113 Ų | 113 | 97.3 Ų | 97.3 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 173.5 | -71 | 167.9 | -24.7 | 0 | 0 | 111.8 | L421 L427 Q428 S429 | L421-Q425 WeakPolarHBondContact O-CG 3.43Å; L421-Q425 PolarHBondContact O-N 3.18Å; Q425-L427 PolarHBondContact O-N 2.73Å; Q425-Q428 PolarHBondContact O-N 3.31Å; Q425-S429 PolarHBondContact O-N 2.96Å |
| 426 | G | 98.6 | Very high | 98.7 | Very high | 38 Ų | 38 | 97.8 Ų | 97.8 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -19.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R422 K423 S424 K430 | R422-G426 PolarHBondContact O-N 3.02Å; R422-G426 VanDerWaalsContact O-N 3.09Å; K423-G426 PolarHBondContact O-N 3.14Å; S424-G426 VanDerWaalsContact C-N 3.33Å; S424-G426 PolarHBondContact O-N 2.87Å; G426-K430 WeakPolarHBondContact O-CD 3.32Å; G426-K430 WeakPolarHBondContact O-CG 3.38Å |
| 427 | L | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 95.3 Ų | 95.3 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -85.6 | -37.8 | 169.8 | -69.1 | 171.7 | 0 | 0 | 0 | 111.6 | K423 S424 Q425 K430 L431 | K423-L427 WeakPolarHBondContact O-CG 3.33Å; K423-L427 PolarHBondContact O-N 3.39Å; S424-L427 CarbonylContact O-C 3.53Å; S424-L427 WeakPolarHBondContact O-CA 3.28Å; S424-L427 WeakPolarHBondContact O-CB 3.46Å; S424-L427 PolarHBondContact O-N 3.46Å; Q425-L427 PolarHBondContact O-N 2.73Å; L427-K430 WeakPolarHBondContact O-CB 3.35Å; L427-K430 PolarHBondContact O-N 2.95Å; L427-K430 VanDerWaalsContact O-N 3.12Å; L427-L431 WeakPolarHBondContact O-CG 3.45Å; L427-L431 PolarHBondContact O-N 3.05Å |
| 428 | Q | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 93 Ų | 93 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -50.3 | 175 | -73.1 | 170.3 | -28.6 | 0 | 0 | 111.2 | S424 Q425 K430 L431 E432 | S424-Q428 WeakPolarHBondContact O-CG 3.48Å; S424-Q428 PolarHBondContact O-N 2.96Å; Q425-Q428 PolarHBondContact O-N 3.31Å; Q428-K430 PolarHBondContact O-N 3.09Å; Q428-L431 WeakPolarHBondContact O-CB 3.48Å; Q428-L431 PolarHBondContact O-N 3.45Å; Q428-E432 WeakPolarHBondContact O-CG 3.48Å; Q428-E432 PolarHBondContact O-N 2.89Å |
| 429 | S | 98.6 | Very high | 98.7 | Very high | 71 Ų | 71 | 96.7 Ų | 96.7 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -18.6 | 177 | -58.5 | 0 | 0 | 0 | 0 | 114.6 | Q425 E432 S433 | Q425-S429 PolarHBondContact O-N 2.96Å; S429-E432 WeakPolarHBondContact CA-OE2 3.42Å; S429-S433 PolarHBondContact O-N 3.48Å |
| 430 | K | 98.7 | Very high | 98.7 | Very high | 133 Ų | 133 | 100 Ų | 100 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.1 | -38.1 | 168.8 | -74.6 | 175.8 | 178.8 | -173.8 | 0 | 111.9 | G426 L427 Q428 S433 L434 | G426-K430 WeakPolarHBondContact O-CD 3.32Å; G426-K430 WeakPolarHBondContact O-CG 3.38Å; L427-K430 WeakPolarHBondContact O-CB 3.35Å; L427-K430 PolarHBondContact O-N 2.95Å; L427-K430 VanDerWaalsContact O-N 3.12Å; Q428-K430 PolarHBondContact O-N 3.09Å; K430-S433 PolarHBondContact O-N 2.94Å; K430-S433 PolarHBondContact O-OG 2.68Å; K430-L434 VanDerWaalsContact O-CG 3.29Å; K430-L434 WeakPolarHBondContact O-CG 3.33Å; K430-L434 PolarHBondContact O-N 3.48Å |
| 431 | L | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 102.8 Ų | 102.8 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 173.3 | -68.6 | 168.6 | 0 | 0 | 0 | 110.4 | L427 Q428 S433 L434 E435 | L427-L431 WeakPolarHBondContact O-CG 3.45Å; L427-L431 PolarHBondContact O-N 3.05Å; Q428-L431 WeakPolarHBondContact O-CB 3.48Å; Q428-L431 PolarHBondContact O-N 3.45Å; L431-S433 VanDerWaalsContact C-N 3.27Å; L431-S433 PolarHBondContact O-N 3.06Å; L431-L434 PolarHBondContact O-N 2.94Å; L431-L434 VanDerWaalsContact O-N 3.12Å; L431-E435 WeakPolarHBondContact O-CG 3.3Å; L431-E435 PolarHBondContact O-N 3.02Å |
| 432 | E | 98.6 | Very high | 98.7 | Very high | 104 Ų | 104 | 106.7 Ų | 106.7 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.4 | -39 | 174.7 | -69.5 | 167.7 | 173.5 | 0 | 0 | 112.6 | Q428 S429 Q436 | Q428-E432 WeakPolarHBondContact O-CG 3.48Å; Q428-E432 PolarHBondContact O-N 2.89Å; S429-E432 WeakPolarHBondContact CA-OE2 3.42Å; E432-Q436 VanDerWaalsContact O-CG 3.27Å; E432-Q436 WeakPolarHBondContact O-CG 3.38Å; E432-Q436 PolarHBondContact O-N 3.36Å; E432-Q436 PolarHBondContact O-NE2 3.22Å |
| 433 | S | 98.7 | Very high | 98.7 | Very high | 56 Ų | 56 | 102.4 Ų | 102.4 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.8 | -36.1 | 177.2 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | S429 K430 L431 Q436 V437 | S429-S433 PolarHBondContact O-N 3.48Å; K430-S433 PolarHBondContact O-N 2.94Å; K430-S433 PolarHBondContact O-OG 2.68Å; L431-S433 VanDerWaalsContact C-N 3.27Å; L431-S433 PolarHBondContact O-N 3.06Å; S433-Q436 PolarHBondContact O-N 3.14Å; S433-V437 WeakPolarHBondContact O-CG2 3.48Å; S433-V437 PolarHBondContact O-N 2.94Å |
| 434 | L | 98.7 | Very high | 98.7 | Very high | 102 Ų | 102 | 98.3 Ų | 98.3 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 173.4 | -70.2 | 170.9 | 0 | 0 | 0 | 112.1 | K430 L431 Q436 V437 L438 | K430-L434 VanDerWaalsContact O-CG 3.29Å; K430-L434 WeakPolarHBondContact O-CG 3.33Å; K430-L434 PolarHBondContact O-N 3.48Å; L431-L434 PolarHBondContact O-N 2.94Å; L431-L434 VanDerWaalsContact O-N 3.12Å; L434-Q436 VanDerWaalsContact C-N 3.34Å; L434-V437 PolarHBondContact O-N 3.17Å; L434-L438 WeakPolarHBondContact O-CB 3.47Å; L434-L438 WeakPolarHBondContact O-CG 3.41Å; L434-L438 PolarHBondContact O-N 2.76Å |
| 435 | E | 98.6 | Very high | 98.7 | Very high | 132 Ų | 132 | 98.1 Ų | 98.1 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -39.7 | 172.8 | -74.9 | 176.9 | -174.9 | 0 | 0 | 111.9 | L431 L438 K439 | L431-E435 WeakPolarHBondContact O-CG 3.3Å; L431-E435 PolarHBondContact O-N 3.02Å; E435-L438 PolarHBondContact O-N 3.14Å; E435-K439 WeakPolarHBondContact O-CB 3.46Å; E435-K439 PolarHBondContact O-N 2.96Å |
| 436 | Q | 98.8 | Very high | 98.7 | Very high | 135 Ų | 135 | 98.6 Ų | 98.6 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 173.2 | -71.9 | 167.1 | 43.9 | 0 | 0 | 112 | E432 S433 L434 K439 H440 | E432-Q436 VanDerWaalsContact O-CG 3.27Å; E432-Q436 WeakPolarHBondContact O-CG 3.38Å; E432-Q436 PolarHBondContact O-N 3.36Å; E432-Q436 PolarHBondContact O-NE2 3.22Å; S433-Q436 PolarHBondContact O-N 3.14Å; L434-Q436 VanDerWaalsContact C-N 3.34Å; Q436-K439 PolarHBondContact O-N 3.45Å; Q436-H440 PolarHBondContact O-N 3Å |
| 437 | V | 98.7 | Very high | 98.7 | Very high | 81 Ų | 81 | 103.2 Ų | 103.2 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 174.8 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | S433 L434 K439 H440 M441 | S433-V437 WeakPolarHBondContact O-CG2 3.48Å; S433-V437 PolarHBondContact O-N 2.94Å; L434-V437 PolarHBondContact O-N 3.17Å; V437-K439 VanDerWaalsContact C-N 3.32Å; V437-K439 PolarHBondContact O-N 3.14Å; V437-H440 PolarHBondContact O-N 3.34Å; V437-H440 VanDerWaalsContact O-N 3.13Å; V437-M441 HydrophobicContact CG1-CG 4.37Å; V437-M441 HydrophobicContact CG1-SD 4.08Å; V437-M441 WeakPolarHBondContact O-CG 3.41Å; V437-M441 PolarHBondContact O-N 3.31Å |
| 438 | L | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 106 Ų | 106 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 177.3 | -73.1 | 172 | 0 | 0 | 0 | 112.3 | L434 E435 M441 R442 | L434-L438 WeakPolarHBondContact O-CB 3.47Å; L434-L438 WeakPolarHBondContact O-CG 3.41Å; L434-L438 PolarHBondContact O-N 2.76Å; E435-L438 PolarHBondContact O-N 3.14Å; L438-M441 HydrophobicContact CD2-SD 4.49Å; L438-R442 VanDerWaalsContact O-CG 3.28Å; L438-R442 WeakPolarHBondContact O-CG 3.33Å; L438-R442 PolarHBondContact O-N 3.46Å; L438-R442 VanDerWaalsContact O-N 3.07Å |
| 439 | K | 98.7 | Very high | 98.7 | Very high | 129 Ų | 129 | 107 Ų | 107 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -49.1 | 171.4 | -173.3 | -171.9 | 175.3 | -163 | 0 | 110.7 | E435 Q436 V437 M441 R442 E443 | E435-K439 WeakPolarHBondContact O-CB 3.46Å; E435-K439 PolarHBondContact O-N 2.96Å; Q436-K439 PolarHBondContact O-N 3.45Å; V437-K439 VanDerWaalsContact C-N 3.32Å; V437-K439 PolarHBondContact O-N 3.14Å; K439-M441 VanDerWaalsContact C-N 3.35Å; K439-M441 PolarHBondContact O-N 2.75Å; K439-R442 WeakPolarHBondContact O-CB 3.47Å; K439-R442 PolarHBondContact O-N 3.44Å; K439-E443 VanDerWaalsContact CE-OE1 3.24Å; K439-E443 WeakPolarHBondContact CE-OE1 3.39Å; K439-E443 IonicContact NZ-OE1 3.52Å; K439-E443 PolarHBondContact O-N 3.07Å |
| 440 | H | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 108.6 Ų | 108.6 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 178.7 | -175.3 | 62.2 | 0 | 0 | 0 | 112.1 | Q436 V437 R442 E443 V444 | Q436-H440 PolarHBondContact O-N 3Å; V437-H440 PolarHBondContact O-N 3.34Å; V437-H440 VanDerWaalsContact O-N 3.13Å; H440-R442 VanDerWaalsContact C-N 3.32Å; H440-R442 PolarHBondContact O-N 3.42Å; H440-E443 PolarHBondContact O-N 3.18Å; H440-V444 WeakPolarHBondContact O-CB 3.49Å; H440-V444 WeakPolarHBondContact O-CG2 3.38Å; H440-V444 PolarHBondContact O-N 3.23Å |
| 441 | M | 98.6 | Very high | 98.7 | Very high | 116 Ų | 116 | 107.5 Ų | 107.5 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.2 | -40.4 | 174.8 | -71.1 | 177.9 | 73.2 | 0 | 0 | 112.5 | V437 L438 K439 V444 A445 | V437-M441 HydrophobicContact CG1-CG 4.37Å; V437-M441 HydrophobicContact CG1-SD 4.08Å; V437-M441 WeakPolarHBondContact O-CG 3.41Å; V437-M441 PolarHBondContact O-N 3.31Å; L438-M441 HydrophobicContact CD2-SD 4.49Å; K439-M441 VanDerWaalsContact C-N 3.35Å; K439-M441 PolarHBondContact O-N 2.75Å; M441-V444 PolarHBondContact O-N 2.81Å; M441-A445 WeakPolarHBondContact O-CB 3.4Å; M441-A445 PolarHBondContact O-N 3.5Å |
| 442 | R | 98.8 | Very high | 98.7 | Very high | 170 Ų | 170 | 106.4 Ų | 106.4 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -46.1 | 174.4 | -70.2 | 165.8 | -174 | 169.4 | 3.3 | 111.7 | L438 K439 H440 V444 A445 Q446 | L438-R442 VanDerWaalsContact O-CG 3.28Å; L438-R442 WeakPolarHBondContact O-CG 3.33Å; L438-R442 PolarHBondContact O-N 3.46Å; L438-R442 VanDerWaalsContact O-N 3.07Å; K439-R442 WeakPolarHBondContact O-CB 3.47Å; K439-R442 PolarHBondContact O-N 3.44Å; H440-R442 VanDerWaalsContact C-N 3.32Å; H440-R442 PolarHBondContact O-N 3.42Å; R442-V444 VanDerWaalsContact C-N 3.32Å; R442-V444 PolarHBondContact O-N 3.35Å; R442-A445 PolarHBondContact O-N 3.34Å; R442-Q446 VanDerWaalsContact O-CG 3.32Å; R442-Q446 WeakPolarHBondContact O-CG 3.47Å; R442-Q446 PolarHBondContact O-N 2.96Å |
| 443 | E | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 104.7 Ų | 104.7 | 25% | 0.248 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | 176.8 | -62.6 | 178.6 | -161.3 | 0 | 0 | 112.4 | K439 H440 R447 | K439-E443 VanDerWaalsContact CE-OE1 3.24Å; K439-E443 WeakPolarHBondContact CE-OE1 3.39Å; K439-E443 IonicContact NZ-OE1 3.52Å; K439-E443 PolarHBondContact O-N 3.07Å; H440-E443 PolarHBondContact O-N 3.18Å; E443-R447 WeakPolarHBondContact O-CB 3.32Å; E443-R447 VanDerWaalsContact O-CG 3.22Å; E443-R447 WeakPolarHBondContact O-CG 3.44Å; E443-R447 PolarHBondContact O-N 3.43Å; E443-R447 IonicContact OE2-CZ 3.93Å; E443-R447 IonicContact OE2-NH1 3.56Å; E443-R447 PolarHBondContact OE2-NH1 2.9Å; E443-R447 IonicContact OE2-NH2 2.82Å; E443-R447 PolarHBondContact OE2-NH2 2.83Å |
| 444 | V | 98.8 | Very high | 98.7 | Very high | 71 Ų | 71 | 106.1 Ų | 106.1 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.4 | -41.5 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 111 | H440 M441 R442 R447 R448 | H440-V444 WeakPolarHBondContact O-CB 3.49Å; H440-V444 WeakPolarHBondContact O-CG2 3.38Å; H440-V444 PolarHBondContact O-N 3.23Å; M441-V444 PolarHBondContact O-N 2.81Å; R442-V444 VanDerWaalsContact C-N 3.32Å; R442-V444 PolarHBondContact O-N 3.35Å; V444-R447 PolarHBondContact O-N 3.39Å; V444-R448 WeakPolarHBondContact O-CB 3.24Å; V444-R448 PolarHBondContact O-N 3.07Å |
| 445 | A | 98.6 | Very high | 98.7 | Very high | 50 Ų | 50 | 106.6 Ų | 106.6 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | M441 R442 R448 Q449 | M441-A445 WeakPolarHBondContact O-CB 3.4Å; M441-A445 PolarHBondContact O-N 3.5Å; R442-A445 PolarHBondContact O-N 3.34Å; A445-R448 WeakPolarHBondContact O-CB 3.27Å; A445-R448 PolarHBondContact O-N 2.7Å; A445-Q449 WeakPolarHBondContact O-CG 3.29Å; A445-Q449 PolarHBondContact O-N 3.06Å |
| 446 | Q | 98.7 | Very high | 98.7 | Very high | 124 Ų | 124 | 105.9 Ų | 105.9 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 175.2 | -73.1 | 171.2 | -30.6 | 0 | 0 | 112.2 | R442 R448 Q449 Q450 | R442-Q446 VanDerWaalsContact O-CG 3.32Å; R442-Q446 WeakPolarHBondContact O-CG 3.47Å; R442-Q446 PolarHBondContact O-N 2.96Å; Q446-R448 VanDerWaalsContact C-N 3.3Å; Q446-R448 PolarHBondContact O-N 2.94Å; Q446-Q449 PolarHBondContact O-N 2.92Å; Q446-Q450 PolarHBondContact O-N 3.03Å |
| 447 | R | 98.8 | Very high | 98.7 | Very high | 135 Ų | 135 | 105.1 Ų | 105.1 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 174.4 | -73.6 | 168.9 | -173.9 | 121.2 | 10.3 | 111.9 | E443 V444 L451 | E443-R447 WeakPolarHBondContact O-CB 3.32Å; E443-R447 VanDerWaalsContact O-CG 3.22Å; E443-R447 WeakPolarHBondContact O-CG 3.44Å; E443-R447 PolarHBondContact O-N 3.43Å; E443-R447 IonicContact OE2-CZ 3.93Å; E443-R447 IonicContact OE2-NH1 3.56Å; E443-R447 PolarHBondContact OE2-NH1 2.9Å; E443-R447 IonicContact OE2-NH2 2.82Å; E443-R447 PolarHBondContact OE2-NH2 2.83Å; V444-R447 PolarHBondContact O-N 3.39Å; R447-L451 WeakPolarHBondContact O-CG 3.44Å; R447-L451 PolarHBondContact O-N 3.17Å |
| 448 | R | 98.7 | Very high | 98.7 | Very high | 162 Ų | 162 | 104.1 Ų | 104.1 | 61% | 0.611 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -48.4 | 174.5 | 176.9 | 179.7 | 164.3 | 170.2 | -1 | 111.7 | V444 A445 Q446 Q450 L451 E452 | V444-R448 WeakPolarHBondContact O-CB 3.24Å; V444-R448 PolarHBondContact O-N 3.07Å; A445-R448 WeakPolarHBondContact O-CB 3.27Å; A445-R448 PolarHBondContact O-N 2.7Å; Q446-R448 VanDerWaalsContact C-N 3.3Å; Q446-R448 PolarHBondContact O-N 2.94Å; R448-Q450 VanDerWaalsContact C-N 3.29Å; R448-Q450 PolarHBondContact O-N 3.19Å; R448-L451 PolarHBondContact O-N 3.3Å; R448-L451 VanDerWaalsContact O-N 3.15Å; R448-E452 HydrophobicContact CG-CG 4.39Å; R448-E452 IonicContact CZ-OE1 3.87Å; R448-E452 IonicContact NE-OE1 2.67Å; R448-E452 PolarHBondContact NE-OE1 2.96Å; R448-E452 IonicContact NE-OE2 2.7Å; R448-E452 IonicContact NH2-OE1 2.78Å; R448-E452 PolarHBondContact NH2-OE1 3.41Å; R448-E452 WeakPolarHBondContact O-CG 3.41Å; R448-E452 PolarHBondContact O-N 3.03Å |
| 449 | Q | 98.6 | Very high | 98.7 | Very high | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -40.2 | 177.8 | -72.8 | 173.7 | -37.1 | 0 | 0 | 112 | A445 Q446 E452 V453 | A445-Q449 WeakPolarHBondContact O-CG 3.29Å; A445-Q449 PolarHBondContact O-N 3.06Å; Q446-Q449 PolarHBondContact O-N 2.92Å; Q449-E452 PolarHBondContact O-N 3.06Å; Q449-V453 WeakPolarHBondContact O-CG2 3.48Å; Q449-V453 PolarHBondContact O-N 2.9Å |
| 450 | Q | 98.6 | Very high | 98.7 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 173.9 | -178.8 | 62.2 | 29.6 | 0 | 0 | 111.8 | Q446 R448 E452 V453 E454 | Q446-Q450 PolarHBondContact O-N 3.03Å; R448-Q450 VanDerWaalsContact C-N 3.29Å; R448-Q450 PolarHBondContact O-N 3.19Å; Q450-E452 VanDerWaalsContact C-N 3.33Å; Q450-E452 PolarHBondContact O-N 3.19Å; Q450-V453 PolarHBondContact O-N 2.83Å; Q450-E454 WeakPolarHBondContact CG-OE1 3.49Å; Q450-E454 PolarHBondContact NE2-OE1 2.86Å; Q450-E454 WeakPolarHBondContact O-CG 3.42Å; Q450-E454 PolarHBondContact O-N 3.09Å |
| 451 | L | 98.7 | Very high | 98.7 | Very high | 109 Ų | 109 | 101.4 Ų | 101.4 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -33 | 177 | -71.8 | 167.6 | 0 | 0 | 0 | 113 | R447 R448 H455 | R447-L451 WeakPolarHBondContact O-CG 3.44Å; R447-L451 PolarHBondContact O-N 3.17Å; R448-L451 PolarHBondContact O-N 3.3Å; R448-L451 VanDerWaalsContact O-N 3.15Å; L451-H455 WeakPolarHBondContact O-CB 3.28Å; L451-H455 PolarHBondContact O-N 2.81Å |
| 452 | E | 98.6 | Very high | 98.7 | Very high | 82 Ų | 82 | 100.7 Ų | 100.7 | 38% | 0.383 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 174 | -74.2 | 168.4 | 157.7 | 0 | 0 | 110.8 | R448 Q449 Q450 H455 E456 | R448-E452 HydrophobicContact CG-CG 4.39Å; R448-E452 IonicContact CZ-OE1 3.87Å; R448-E452 IonicContact NE-OE1 2.67Å; R448-E452 PolarHBondContact NE-OE1 2.96Å; R448-E452 IonicContact NE-OE2 2.7Å; R448-E452 IonicContact NH2-OE1 2.78Å; R448-E452 PolarHBondContact NH2-OE1 3.41Å; R448-E452 WeakPolarHBondContact O-CG 3.41Å; R448-E452 PolarHBondContact O-N 3.03Å; Q449-E452 PolarHBondContact O-N 3.06Å; Q450-E452 VanDerWaalsContact C-N 3.33Å; Q450-E452 PolarHBondContact O-N 3.19Å; E452-H455 PolarHBondContact O-N 2.92Å; E452-E456 WeakPolarHBondContact O-CG 3.43Å; E452-E456 PolarHBondContact O-N 3.4Å |
| 453 | V | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 98.5 Ų | 98.5 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | Q449 Q450 H455 E456 Q457 | Q449-V453 WeakPolarHBondContact O-CG2 3.48Å; Q449-V453 PolarHBondContact O-N 2.9Å; Q450-V453 PolarHBondContact O-N 2.83Å; V453-H455 VanDerWaalsContact C-N 3.3Å; V453-H455 PolarHBondContact O-N 3.31Å; V453-E456 PolarHBondContact O-N 3.01Å; V453-Q457 WeakPolarHBondContact O-CG 3.37Å; V453-Q457 PolarHBondContact O-N 3.25Å |
| 454 | E | 98.4 | Very high | 98.7 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 40% | 0.402 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 175.9 | -74.4 | 170.3 | -171.1 | 0 | 0 | 111.8 | Q450 Q457 A458 | Q450-E454 WeakPolarHBondContact CG-OE1 3.49Å; Q450-E454 PolarHBondContact NE2-OE1 2.86Å; Q450-E454 WeakPolarHBondContact O-CG 3.42Å; Q450-E454 PolarHBondContact O-N 3.09Å; E454-Q457 PolarHBondContact O-N 3Å; E454-A458 WeakPolarHBondContact O-CB 3.22Å; E454-A458 PolarHBondContact O-N 3.07Å |
| 455 | H | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 103.7 Ų | 103.7 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 174.7 | 178.4 | 69.7 | 0 | 0 | 0 | 112.6 | L451 E452 V453 A458 R459 | L451-H455 WeakPolarHBondContact O-CB 3.28Å; L451-H455 PolarHBondContact O-N 2.81Å; E452-H455 PolarHBondContact O-N 2.92Å; V453-H455 VanDerWaalsContact C-N 3.3Å; V453-H455 PolarHBondContact O-N 3.31Å; H455-A458 PolarHBondContact O-N 2.96Å; H455-R459 VanDerWaalsContact NE2-CD 3.35Å; H455-R459 WeakPolarHBondContact NE2-CD 3.32Å; H455-R459 VanDerWaalsContact O-CG 3.3Å; H455-R459 WeakPolarHBondContact O-CG 3.33Å; H455-R459 PolarHBondContact O-N 3.37Å |
| 456 | E | 98.7 | Very high | 98.6 | Very high | 117 Ų | 117 | 105.2 Ų | 105.2 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 174.1 | -72.7 | -172.6 | 159.4 | 0 | 0 | 112.4 | E452 V453 R459 L460 | E452-E456 WeakPolarHBondContact O-CG 3.43Å; E452-E456 PolarHBondContact O-N 3.4Å; V453-E456 PolarHBondContact O-N 3.01Å; E456-R459 PolarHBondContact O-N 3.19Å; E456-L460 WeakPolarHBondContact O-CG 3.36Å; E456-L460 PolarHBondContact O-N 3.46Å |
| 457 | Q | 98.7 | Very high | 98.6 | Very high | 120 Ų | 120 | 103.5 Ų | 103.5 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 173.7 | -70.4 | 173.8 | 9.5 | 0 | 0 | 111.8 | V453 E454 R459 L460 S461 | V453-Q457 WeakPolarHBondContact O-CG 3.37Å; V453-Q457 PolarHBondContact O-N 3.25Å; E454-Q457 PolarHBondContact O-N 3Å; Q457-R459 VanDerWaalsContact C-N 3.31Å; Q457-R459 PolarHBondContact O-N 2.87Å; Q457-L460 PolarHBondContact O-N 2.82Å; Q457-S461 PolarHBondContact O-N 3.12Å |
| 458 | A | 98.6 | Very high | 98.6 | Very high | 60 Ų | 60 | 101.3 Ų | 101.3 | 50% | 0.496 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E454 H455 L462 | E454-A458 WeakPolarHBondContact O-CB 3.22Å; E454-A458 PolarHBondContact O-N 3.07Å; H455-A458 PolarHBondContact O-N 2.96Å; A458-L462 WeakPolarHBondContact O-CB 3.32Å; A458-L462 PolarHBondContact O-N 3.31Å |
| 459 | R | 98.8 | Very high | 98.6 | Very high | 120 Ų | 120 | 97.2 Ų | 97.2 | 45% | 0.453 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.6 | -32.8 | 174.6 | -74.7 | 172.5 | 71.1 | -167.9 | 8.8 | 113.2 | H455 E456 Q457 R463 | H455-R459 VanDerWaalsContact NE2-CD 3.35Å; H455-R459 WeakPolarHBondContact NE2-CD 3.32Å; H455-R459 VanDerWaalsContact O-CG 3.3Å; H455-R459 WeakPolarHBondContact O-CG 3.33Å; H455-R459 PolarHBondContact O-N 3.37Å; E456-R459 PolarHBondContact O-N 3.19Å; Q457-R459 VanDerWaalsContact C-N 3.31Å; Q457-R459 PolarHBondContact O-N 2.87Å; R459-R463 WeakPolarHBondContact O-CD 3.35Å; R459-R463 VanDerWaalsContact O-CG 3.28Å; R459-R463 WeakPolarHBondContact O-CG 3.39Å; R459-R463 PolarHBondContact O-N 2.93Å |
| 460 | L | 98.7 | Very high | 98.6 | Very high | 91 Ų | 91 | 97.5 Ų | 97.5 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.3 | -51.6 | 173 | -72.7 | 166.9 | 0 | 0 | 0 | 110.7 | E456 Q457 L462 R463 E464 | E456-L460 WeakPolarHBondContact O-CG 3.36Å; E456-L460 PolarHBondContact O-N 3.46Å; Q457-L460 PolarHBondContact O-N 2.82Å; L460-L462 VanDerWaalsContact C-N 3.27Å; L460-L462 PolarHBondContact O-N 3.21Å; L460-R463 WeakPolarHBondContact O-CA 3.33Å; L460-R463 WeakPolarHBondContact O-CB 3.5Å; L460-R463 PolarHBondContact O-N 3.12Å; L460-E464 WeakPolarHBondContact O-CG 3.45Å; L460-E464 PolarHBondContact O-N 3.03Å |
| 461 | S | 98.6 | Very high | 98.6 | Very high | 56 Ų | 56 | 100.2 Ų | 100.2 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 178.4 | -166.5 | 0 | 0 | 0 | 0 | 112.7 | Q457 R463 E464 K465 | Q457-S461 PolarHBondContact O-N 3.12Å; S461-R463 PolarHBondContact O-N 3.02Å; S461-E464 PolarHBondContact O-N 3.27Å; S461-K465 VanDerWaalsContact O-CG 3.29Å; S461-K465 WeakPolarHBondContact O-CG 3.4Å; S461-K465 PolarHBondContact O-N 3.41Å |
| 462 | L | 98.7 | Very high | 98.6 | Very high | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 172.5 | -178.1 | 60.6 | 0 | 0 | 0 | 112.9 | A458 L460 K465 Q466 | A458-L462 WeakPolarHBondContact O-CB 3.32Å; A458-L462 PolarHBondContact O-N 3.31Å; L460-L462 VanDerWaalsContact C-N 3.27Å; L460-L462 PolarHBondContact O-N 3.21Å; L462-K465 PolarHBondContact O-N 2.98Å; L462-Q466 VanDerWaalsContact O-CG 3.3Å; L462-Q466 WeakPolarHBondContact O-CG 3.36Å; L462-Q466 PolarHBondContact O-N 3.42Å |
| 463 | R | 98.6 | Very high | 98.6 | Very high | 124 Ų | 124 | 101.9 Ų | 101.9 | 47% | 0.468 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 175.2 | -72.5 | 162 | 175.1 | 154.6 | -6 | 111.3 | R459 L460 S461 K465 Q466 E467 | R459-R463 WeakPolarHBondContact O-CD 3.35Å; R459-R463 VanDerWaalsContact O-CG 3.28Å; R459-R463 WeakPolarHBondContact O-CG 3.39Å; R459-R463 PolarHBondContact O-N 2.93Å; L460-R463 WeakPolarHBondContact O-CA 3.33Å; L460-R463 WeakPolarHBondContact O-CB 3.5Å; L460-R463 PolarHBondContact O-N 3.12Å; S461-R463 PolarHBondContact O-N 3.02Å; R463-K465 VanDerWaalsContact C-N 3.3Å; R463-K465 PolarHBondContact O-N 3.44Å; R463-Q466 WeakPolarHBondContact O-CB 3.43Å; R463-Q466 PolarHBondContact O-N 2.86Å; R463-Q466 VanDerWaalsContact O-N 3.12Å; R463-E467 PolarHBondContact O-N 3.22Å |
| 464 | E | 98.7 | Very high | 98.6 | Very high | 124 Ų | 124 | 104.2 Ų | 104.2 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -55.6 | -46.2 | 175.1 | -65.9 | 168.2 | 169.2 | 0 | 0 | 110.9 | L460 S461 Q466 E467 E468 | L460-E464 WeakPolarHBondContact O-CG 3.45Å; L460-E464 PolarHBondContact O-N 3.03Å; S461-E464 PolarHBondContact O-N 3.27Å; E464-Q466 PolarHBondContact O-N 2.94Å; E464-E467 PolarHBondContact O-N 3Å; E464-E468 WeakPolarHBondContact O-CB 3.21Å; E464-E468 PolarHBondContact O-N 3.39Å |
| 465 | K | 98.5 | Very high | 98.6 | Very high | 108 Ų | 108 | 102.5 Ų | 102.5 | 47% | 0.47 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 176.8 | -67.7 | -71.6 | 157.6 | -148.8 | 0 | 113.1 | S461 L462 R463 E468 V469 | S461-K465 VanDerWaalsContact O-CG 3.29Å; S461-K465 WeakPolarHBondContact O-CG 3.4Å; S461-K465 PolarHBondContact O-N 3.41Å; L462-K465 PolarHBondContact O-N 2.98Å; R463-K465 VanDerWaalsContact C-N 3.3Å; R463-K465 PolarHBondContact O-N 3.44Å; K465-E468 VanDerWaalsContact CD-OE2 3.27Å; K465-E468 WeakPolarHBondContact CD-OE2 3.4Å; K465-E468 WeakPolarHBondContact CE-OE2 3.45Å; K465-E468 IonicContact NZ-OE1 3.76Å; K465-E468 IonicContact NZ-OE2 2.68Å; K465-E468 PolarHBondContact NZ-OE2 2.84Å; K465-V469 VanDerWaalsContact O-CG2 3.31Å; K465-V469 WeakPolarHBondContact O-CG2 3.41Å; K465-V469 PolarHBondContact O-N 3.13Å |
| 466 | Q | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 103 Ų | 103 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 171.5 | -73.1 | 176.3 | 16.2 | 0 | 0 | 112.5 | L462 R463 E464 R470 | L462-Q466 VanDerWaalsContact O-CG 3.3Å; L462-Q466 WeakPolarHBondContact O-CG 3.36Å; L462-Q466 PolarHBondContact O-N 3.42Å; R463-Q466 WeakPolarHBondContact O-CB 3.43Å; R463-Q466 PolarHBondContact O-N 2.86Å; R463-Q466 VanDerWaalsContact O-N 3.12Å; E464-Q466 PolarHBondContact O-N 2.94Å; Q466-R470 VanDerWaalsContact O-CG 3.28Å; Q466-R470 WeakPolarHBondContact O-CG 3.45Å; Q466-R470 PolarHBondContact O-N 3.4Å |
| 467 | E | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 99 Ų | 99 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 174.6 | -74.2 | -176.7 | -145.1 | 0 | 0 | 112.5 | R463 E464 R470 R471 | R463-E467 PolarHBondContact O-N 3.22Å; E464-E467 PolarHBondContact O-N 3Å; E467-R470 PolarHBondContact O-N 2.84Å; E467-R471 VanDerWaalsContact O-CG 3.28Å; E467-R471 WeakPolarHBondContact O-CG 3.27Å; E467-R471 PolarHBondContact O-N 2.99Å; E467-R471 IonicContact OE2-CZ 3.11Å; E467-R471 IonicContact OE2-NH2 3.71Å; E467-R471 PolarHBondContact OE2-NH2 3.3Å |
| 468 | E | 98.4 | Very high | 98.5 | Very high | 89 Ų | 89 | 97.2 Ų | 97.2 | 42% | 0.416 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 172.4 | -172.6 | 176.5 | -157.5 | 0 | 0 | 110.9 | E464 K465 R470 R471 L472 | E464-E468 WeakPolarHBondContact O-CB 3.21Å; E464-E468 PolarHBondContact O-N 3.39Å; K465-E468 VanDerWaalsContact CD-OE2 3.27Å; K465-E468 WeakPolarHBondContact CD-OE2 3.4Å; K465-E468 WeakPolarHBondContact CE-OE2 3.45Å; K465-E468 IonicContact NZ-OE1 3.76Å; K465-E468 IonicContact NZ-OE2 2.68Å; K465-E468 PolarHBondContact NZ-OE2 2.84Å; E468-R470 PolarHBondContact O-N 3.18Å; E468-R471 PolarHBondContact O-N 3.07Å; E468-L472 HydrophobicContact CG-CD1 4.27Å; E468-L472 VanDerWaalsContact O-CG 3.32Å; E468-L472 WeakPolarHBondContact O-CG 3.29Å; E468-L472 PolarHBondContact O-N 3.43Å |
| 469 | V | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 96.9 Ų | 96.9 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 174.6 | 169 | 0 | 0 | 0 | 0 | 112 | K465 R471 L472 Q473 | K465-V469 VanDerWaalsContact O-CG2 3.31Å; K465-V469 WeakPolarHBondContact O-CG2 3.41Å; K465-V469 PolarHBondContact O-N 3.13Å; V469-R471 PolarHBondContact O-N 3.38Å; V469-L472 PolarHBondContact O-N 3.42Å; V469-Q473 HydrophobicContact CG1-CG 4.37Å; V469-Q473 WeakPolarHBondContact O-CB 3.33Å; V469-Q473 VanDerWaalsContact O-CG 3.28Å; V469-Q473 WeakPolarHBondContact O-CG 3.48Å; V469-Q473 PolarHBondContact O-N 3.28Å |
| 470 | R | 98.7 | Very high | 98.4 | Very high | 131 Ų | 131 | 96 Ų | 96 | 49% | 0.494 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.1 | -72.5 | 171.2 | -164.2 | 114.2 | 6.7 | 112.2 | Q466 E467 E468 Q473 Q474 | Q466-R470 VanDerWaalsContact O-CG 3.28Å; Q466-R470 WeakPolarHBondContact O-CG 3.45Å; Q466-R470 PolarHBondContact O-N 3.4Å; E467-R470 PolarHBondContact O-N 2.84Å; E468-R470 PolarHBondContact O-N 3.18Å; R470-Q473 PolarHBondContact O-N 3.29Å; R470-Q474 PolarHBondContact O-N 2.75Å |
| 471 | R | 98.6 | Very high | 98.4 | Very high | 161 Ų | 161 | 99.9 Ų | 99.9 | 61% | 0.608 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 177 | -67.6 | 169.9 | -158.1 | 177.5 | 9.1 | 111.4 | E467 E468 V469 Q474 A475 | E467-R471 VanDerWaalsContact O-CG 3.28Å; E467-R471 WeakPolarHBondContact O-CG 3.27Å; E467-R471 PolarHBondContact O-N 2.99Å; E467-R471 IonicContact OE2-CZ 3.11Å; E467-R471 IonicContact OE2-NH2 3.71Å; E467-R471 PolarHBondContact OE2-NH2 3.3Å; E468-R471 PolarHBondContact O-N 3.07Å; V469-R471 PolarHBondContact O-N 3.38Å; R471-Q474 PolarHBondContact O-N 3.06Å; R471-A475 WeakPolarHBondContact O-CB 3.3Å; R471-A475 PolarHBondContact O-N 2.95Å |
| 472 | L | 98.6 | Very high | 98.3 | Very high | 110 Ų | 110 | 104.4 Ų | 104.4 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.9 | -39.8 | 174.8 | -69.7 | 170.3 | 0 | 0 | 0 | 112.2 | E468 V469 A475 Q476 | E468-L472 HydrophobicContact CG-CD1 4.27Å; E468-L472 VanDerWaalsContact O-CG 3.32Å; E468-L472 WeakPolarHBondContact O-CG 3.29Å; E468-L472 PolarHBondContact O-N 3.43Å; V469-L472 PolarHBondContact O-N 3.42Å; L472-A475 PolarHBondContact O-N 3.33Å; L472-Q476 WeakPolarHBondContact O-CB 3.32Å; L472-Q476 PolarHBondContact O-N 3.23Å |
| 473 | Q | 98.3 | Very high | 98.2 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.1 | -75.1 | 171.4 | -24.9 | 0 | 0 | 112.2 | V469 R470 Q476 A477 | V469-Q473 HydrophobicContact CG1-CG 4.37Å; V469-Q473 WeakPolarHBondContact O-CB 3.33Å; V469-Q473 VanDerWaalsContact O-CG 3.28Å; V469-Q473 WeakPolarHBondContact O-CG 3.48Å; V469-Q473 PolarHBondContact O-N 3.28Å; R470-Q473 PolarHBondContact O-N 3.29Å; Q473-Q476 PolarHBondContact O-N 3.42Å; Q473-A477 PolarHBondContact O-N 2.95Å |
| 474 | Q | 98.4 | Very high | 98.2 | Very high | 117 Ų | 117 | 104.7 Ų | 104.7 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 174.3 | 177.8 | 175.1 | -9.9 | 0 | 0 | 111.3 | R470 R471 Q476 A477 E478 | R470-Q474 PolarHBondContact O-N 2.75Å; R471-Q474 PolarHBondContact O-N 3.06Å; Q474-Q476 VanDerWaalsContact C-N 3.26Å; Q474-Q476 PolarHBondContact O-N 2.9Å; Q474-A477 PolarHBondContact O-N 3.39Å; Q474-A477 VanDerWaalsContact O-N 3.08Å; Q474-E478 HydrophobicContact CG-CG 4.45Å; Q474-E478 VanDerWaalsContact CG-OE1 3.25Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.28Å; Q474-E478 PolarHBondContact NE2-OE1 2.95Å; Q474-E478 WeakPolarHBondContact O-CG 3.46Å; Q474-E478 PolarHBondContact O-N 3.34Å |
| 475 | A | 98.2 | Very high | 98.1 | Very high | 50 Ų | 50 | 100 Ų | 100 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -34.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R471 L472 A479 | R471-A475 WeakPolarHBondContact O-CB 3.3Å; R471-A475 PolarHBondContact O-N 2.95Å; L472-A475 PolarHBondContact O-N 3.33Å; A475-A479 WeakPolarHBondContact O-CB 3.49Å; A475-A479 PolarHBondContact O-N 2.91Å |
| 476 | Q | 98.1 | Very high | 98 | Very high | 121 Ų | 121 | 97.1 Ų | 97.1 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.6 | -43.9 | 173.2 | -176.3 | 176 | 5.7 | 0 | 0 | 112 | L472 Q473 Q474 E478 A479 Q480 | L472-Q476 WeakPolarHBondContact O-CB 3.32Å; L472-Q476 PolarHBondContact O-N 3.23Å; Q473-Q476 PolarHBondContact O-N 3.42Å; Q474-Q476 VanDerWaalsContact C-N 3.26Å; Q474-Q476 PolarHBondContact O-N 2.9Å; Q476-E478 VanDerWaalsContact C-N 3.35Å; Q476-A479 PolarHBondContact O-N 3.44Å; Q476-Q480 WeakPolarHBondContact O-CB 3.38Å; Q476-Q480 VanDerWaalsContact O-CG 3.3Å; Q476-Q480 WeakPolarHBondContact O-CG 3.5Å; Q476-Q480 PolarHBondContact O-N 2.93Å |
| 477 | A | 98.2 | Very high | 98 | Very high | 35 Ų | 35 | 95.5 Ų | 95.5 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.1 | -31.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q473 Q474 R481 | Q473-A477 PolarHBondContact O-N 2.95Å; Q474-A477 PolarHBondContact O-N 3.39Å; Q474-A477 VanDerWaalsContact O-N 3.08Å; A477-R481 WeakPolarHBondContact O-CG 3.31Å; A477-R481 PolarHBondContact O-N 2.9Å; A477-R481 VanDerWaalsContact O-N 3.14Å |
| 478 | E | 97.3 | Very high | 97.9 | Very high | 81 Ų | 81 | 97.1 Ų | 97.1 | 38% | 0.379 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -48.5 | 172.9 | -73.4 | 164.9 | 178.1 | 0 | 0 | 110.8 | Q474 Q476 Q480 R481 E482 | Q474-E478 HydrophobicContact CG-CG 4.45Å; Q474-E478 VanDerWaalsContact CG-OE1 3.25Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.28Å; Q474-E478 PolarHBondContact NE2-OE1 2.95Å; Q474-E478 WeakPolarHBondContact O-CG 3.46Å; Q474-E478 PolarHBondContact O-N 3.34Å; Q476-E478 VanDerWaalsContact C-N 3.35Å; E478-Q480 VanDerWaalsContact C-N 3.28Å; E478-Q480 PolarHBondContact O-N 3.05Å; E478-R481 PolarHBondContact O-N 2.93Å; E478-R481 VanDerWaalsContact O-N 3.12Å; E478-E482 PolarHBondContact O-N 3.29Å |
| 479 | A | 97.9 | Very high | 97.9 | Very high | 54 Ų | 54 | 98.5 Ų | 98.5 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -32.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A475 Q476 H483 | A475-A479 WeakPolarHBondContact O-CB 3.49Å; A475-A479 PolarHBondContact O-N 2.91Å; Q476-A479 PolarHBondContact O-N 3.44Å; A479-H483 WeakPolarHBondContact O-CB 3.45Å; A479-H483 PolarHBondContact O-N 3.15Å |
| 480 | Q | 97.7 | Very high | 97.9 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 172 | -79.2 | 175.6 | -47.1 | 0 | 0 | 111.8 | Q476 E478 E482 H483 E484 | Q476-Q480 WeakPolarHBondContact O-CB 3.38Å; Q476-Q480 VanDerWaalsContact O-CG 3.3Å; Q476-Q480 WeakPolarHBondContact O-CG 3.5Å; Q476-Q480 PolarHBondContact O-N 2.93Å; E478-Q480 VanDerWaalsContact C-N 3.28Å; E478-Q480 PolarHBondContact O-N 3.05Å; Q480-E482 PolarHBondContact O-N 3.46Å; Q480-H483 WeakPolarHBondContact O-CB 3.35Å; Q480-H483 PolarHBondContact O-N 2.74Å; Q480-E484 WeakPolarHBondContact O-CB 3.49Å; Q480-E484 VanDerWaalsContact O-CG 3.28Å; Q480-E484 WeakPolarHBondContact O-CG 3.3Å; Q480-E484 PolarHBondContact O-N 3.39Å |
| 481 | R | 98.2 | Very high | 97.8 | Very high | 172 Ų | 172 | 99.5 Ų | 99.5 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -38.7 | 176 | -70 | 164.4 | 179.6 | 165.8 | -0.1 | 112.7 | A477 E478 H483 E484 G485 | A477-R481 WeakPolarHBondContact O-CG 3.31Å; A477-R481 PolarHBondContact O-N 2.9Å; A477-R481 VanDerWaalsContact O-N 3.14Å; E478-R481 PolarHBondContact O-N 2.93Å; E478-R481 VanDerWaalsContact O-N 3.12Å; R481-H483 VanDerWaalsContact C-N 3.34Å; R481-E484 PolarHBondContact O-N 3.43Å; R481-G485 PolarHBondContact O-N 3.49Å |
| 482 | E | 97.2 | Very high | 97.7 | Very high | 152 Ų | 152 | 94.9 Ų | 94.9 | 71% | 0.71 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 173.8 | -71.5 | -178 | 167.5 | 0 | 0 | 111.4 | E478 Q480 A486 | E478-E482 PolarHBondContact O-N 3.29Å; Q480-E482 PolarHBondContact O-N 3.46Å; E482-A486 WeakPolarHBondContact O-CB 3.46Å; E482-A486 PolarHBondContact O-N 2.88Å |
| 483 | H | 97.6 | Very high | 97.6 | Very high | 126 Ų | 126 | 93.2 Ų | 93.2 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.8 | -46.5 | 174.1 | 178.5 | 48.2 | 0 | 0 | 0 | 112.5 | A479 Q480 R481 G485 A486 V487 | A479-H483 WeakPolarHBondContact O-CB 3.45Å; A479-H483 PolarHBondContact O-N 3.15Å; Q480-H483 WeakPolarHBondContact O-CB 3.35Å; Q480-H483 PolarHBondContact O-N 2.74Å; R481-H483 VanDerWaalsContact C-N 3.34Å; H483-G485 PolarHBondContact O-N 2.57Å; H483-A486 PolarHBondContact O-N 3.26Å; H483-V487 WeakPolarHBondContact O-CG2 3.28Å; H483-V487 PolarHBondContact O-N 2.96Å |
| 484 | E | 97.3 | Very high | 97.6 | Very high | 106 Ų | 106 | 92.5 Ų | 92.5 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 175.4 | -74 | 164.2 | -170.8 | 0 | 0 | 111.4 | Q480 R481 V487 Q488 | Q480-E484 WeakPolarHBondContact O-CB 3.49Å; Q480-E484 VanDerWaalsContact O-CG 3.28Å; Q480-E484 WeakPolarHBondContact O-CG 3.3Å; Q480-E484 PolarHBondContact O-N 3.39Å; R481-E484 PolarHBondContact O-N 3.43Å; E484-V487 PolarHBondContact O-N 3Å; E484-Q488 VanDerWaalsContact O-CG 3.3Å; E484-Q488 WeakPolarHBondContact O-CG 3.33Å; E484-Q488 PolarHBondContact O-N 2.96Å |
| 485 | G | 96.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 91.6 Ų | 91.6 | 27% | 0.268 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R481 H483 Q488 L489 | R481-G485 PolarHBondContact O-N 3.49Å; H483-G485 PolarHBondContact O-N 2.57Å; G485-Q488 PolarHBondContact O-N 3.18Å; G485-L489 VanDerWaalsContact O-CG 3.32Å; G485-L489 WeakPolarHBondContact O-CG 3.28Å; G485-L489 PolarHBondContact O-N 2.94Å |
| 486 | A | 97.4 | Very high | 97.5 | Very high | 46 Ų | 46 | 93.1 Ų | 93.1 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E482 H483 L490 | E482-A486 WeakPolarHBondContact O-CB 3.46Å; E482-A486 PolarHBondContact O-N 2.88Å; H483-A486 PolarHBondContact O-N 3.26Å; A486-L490 WeakPolarHBondContact O-CG 3.45Å; A486-L490 PolarHBondContact O-N 2.75Å |
| 487 | V | 98 | Very high | 97.4 | Very high | 49 Ų | 49 | 93.4 Ų | 93.4 | 30% | 0.297 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -48 | 174 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | H483 E484 L489 L490 E491 | H483-V487 WeakPolarHBondContact O-CG2 3.28Å; H483-V487 PolarHBondContact O-N 2.96Å; E484-V487 PolarHBondContact O-N 3Å; V487-L489 VanDerWaalsContact C-N 3.3Å; V487-L489 PolarHBondContact O-N 3.4Å; V487-L490 CarbonylContact O-C 3.55Å; V487-L490 WeakPolarHBondContact O-CA 3.34Å; V487-L490 WeakPolarHBondContact O-CB 3.28Å; V487-L490 PolarHBondContact O-N 3Å; V487-E491 HydrophobicContact CG1-CG 4.21Å; V487-E491 WeakPolarHBondContact O-CG 3.45Å; V487-E491 PolarHBondContact O-N 3.46Å |
| 488 | Q | 97.3 | Very high | 97.4 | Very high | 122 Ų | 122 | 94.9 Ų | 94.9 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.8 | -39.4 | 176.9 | -71.6 | 167.2 | 16.1 | 0 | 0 | 112.5 | E484 G485 S492 | E484-Q488 VanDerWaalsContact O-CG 3.3Å; E484-Q488 WeakPolarHBondContact O-CG 3.33Å; E484-Q488 PolarHBondContact O-N 2.96Å; G485-Q488 PolarHBondContact O-N 3.18Å; Q488-S492 WeakPolarHBondContact O-CB 3.25Å; Q488-S492 PolarHBondContact O-N 2.93Å; Q488-S492 PolarHBondContact O-OG 3.21Å |
| 489 | L | 97.6 | Very high | 97.3 | Very high | 118 Ų | 118 | 93.6 Ų | 93.6 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -48.6 | 172.1 | -74.2 | 170.1 | 0 | 0 | 0 | 111.2 | G485 V487 E491 S492 T493 | G485-L489 VanDerWaalsContact O-CG 3.32Å; G485-L489 WeakPolarHBondContact O-CG 3.28Å; G485-L489 PolarHBondContact O-N 2.94Å; V487-L489 VanDerWaalsContact C-N 3.3Å; V487-L489 PolarHBondContact O-N 3.4Å; L489-E491 PolarHBondContact O-N 3.22Å; L489-S492 PolarHBondContact O-N 2.99Å; L489-S492 PolarHBondContact O-OG 3.48Å; L489-T493 WeakPolarHBondContact O-CG2 3.36Å; L489-T493 PolarHBondContact O-N 3.03Å |
| 490 | L | 97.7 | Very high | 97.2 | Very high | 118 Ų | 118 | 97 Ų | 97 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 177.5 | -71.3 | 169.6 | 0 | 0 | 0 | 112.3 | A486 V487 T493 L494 | A486-L490 WeakPolarHBondContact O-CG 3.45Å; A486-L490 PolarHBondContact O-N 2.75Å; V487-L490 CarbonylContact O-C 3.55Å; V487-L490 WeakPolarHBondContact O-CA 3.34Å; V487-L490 WeakPolarHBondContact O-CB 3.28Å; V487-L490 PolarHBondContact O-N 3Å; L490-T493 PolarHBondContact O-N 2.89Å; L490-T493 PolarHBondContact O-OG1 3.39Å; L490-L494 WeakPolarHBondContact O-CB 3.49Å; L490-L494 PolarHBondContact O-N 3.26Å |
| 491 | E | 97.2 | Very high | 97.2 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -49.6 | 175.3 | -71.5 | 171.9 | 156.1 | 0 | 0 | 111.1 | V487 L489 T493 L494 D495 | V487-E491 HydrophobicContact CG1-CG 4.21Å; V487-E491 WeakPolarHBondContact O-CG 3.45Å; V487-E491 PolarHBondContact O-N 3.46Å; L489-E491 PolarHBondContact O-N 3.22Å; E491-T493 VanDerWaalsContact C-N 3.31Å; E491-T493 PolarHBondContact O-N 3.49Å; E491-L494 WeakPolarHBondContact O-CB 3.35Å; E491-L494 PolarHBondContact O-N 3.49Å; E491-L494 VanDerWaalsContact O-N 3.07Å; E491-D495 PolarHBondContact O-N 3.02Å |
| 492 | S | 96.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 94.7 Ų | 94.7 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | 176.5 | 70.8 | 0 | 0 | 0 | 0 | 113.5 | Q488 L489 S496 | Q488-S492 WeakPolarHBondContact O-CB 3.25Å; Q488-S492 PolarHBondContact O-N 2.93Å; Q488-S492 PolarHBondContact O-OG 3.21Å; L489-S492 PolarHBondContact O-N 2.99Å; L489-S492 PolarHBondContact O-OG 3.48Å; S492-S496 WeakPolarHBondContact O-CB 3.46Å; S492-S496 PolarHBondContact O-N 2.89Å |
| 493 | T | 97 | Very high | 97.1 | Very high | 75 Ų | 75 | 90.9 Ų | 90.9 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.3 | -36 | 173.3 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | L489 L490 E491 S496 M497 | L489-T493 WeakPolarHBondContact O-CG2 3.36Å; L489-T493 PolarHBondContact O-N 3.03Å; L490-T493 PolarHBondContact O-N 2.89Å; L490-T493 PolarHBondContact O-OG1 3.39Å; E491-T493 VanDerWaalsContact C-N 3.31Å; E491-T493 PolarHBondContact O-N 3.49Å; T493-S496 PolarHBondContact O-N 3.12Å; T493-M497 WeakPolarHBondContact O-CB 3.35Å; T493-M497 VanDerWaalsContact O-CG 3.28Å; T493-M497 WeakPolarHBondContact O-CG 3.32Å; T493-M497 PolarHBondContact O-N 2.96Å |
| 494 | L | 97.8 | Very high | 97 | Very high | 101 Ų | 101 | 88.6 Ų | 88.6 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.8 | -174.7 | 70 | 0 | 0 | 0 | 111.2 | L490 E491 M497 Q498 | L490-L494 WeakPolarHBondContact O-CB 3.49Å; L490-L494 PolarHBondContact O-N 3.26Å; E491-L494 WeakPolarHBondContact O-CB 3.35Å; E491-L494 PolarHBondContact O-N 3.49Å; E491-L494 VanDerWaalsContact O-N 3.07Å; L494-M497 PolarHBondContact O-N 2.94Å; L494-Q498 WeakPolarHBondContact O-CB 3.46Å; L494-Q498 WeakPolarHBondContact O-CG 3.28Å; L494-Q498 PolarHBondContact O-N 3.45Å |
| 495 | D | 96.9 | Very high | 97 | Very high | 97 Ų | 97 | 87.8 Ų | 87.8 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.5 | -38.8 | 176.2 | -77.6 | -19.5 | 0 | 0 | 0 | 112.1 | E491 Q498 A499 | E491-D495 PolarHBondContact O-N 3.02Å; D495-Q498 PolarHBondContact O-N 3.32Å; D495-Q498 PolarHBondContact OD1-NE2 2.96Å; D495-Q498 VanDerWaalsContact OD1-NE2 3.1Å; D495-A499 WeakPolarHBondContact O-CB 3.32Å; D495-A499 PolarHBondContact O-N 2.93Å |
| 496 | S | 96.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 93 Ų | 93 | 58% | 0.58 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 171.7 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | S492 T493 A499 R500 | S492-S496 WeakPolarHBondContact O-CB 3.46Å; S492-S496 PolarHBondContact O-N 2.89Å; T493-S496 PolarHBondContact O-N 3.12Å; S496-A499 PolarHBondContact O-N 3.22Å; S496-R500 WeakPolarHBondContact O-CB 3.45Å; S496-R500 PolarHBondContact O-N 2.82Å |
| 497 | M | 96.9 | Very high | 96.8 | Very high | 127 Ų | 127 | 94.4 Ų | 94.4 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | 173.9 | -74.3 | 177.6 | 64.9 | 0 | 0 | 112.2 | T493 L494 R500 V501 | T493-M497 WeakPolarHBondContact O-CB 3.35Å; T493-M497 VanDerWaalsContact O-CG 3.28Å; T493-M497 WeakPolarHBondContact O-CG 3.32Å; T493-M497 PolarHBondContact O-N 2.96Å; L494-M497 PolarHBondContact O-N 2.94Å; M497-R500 PolarHBondContact O-N 2.97Å; M497-V501 WeakPolarHBondContact O-CG2 3.35Å; M497-V501 PolarHBondContact O-N 3.26Å |
| 498 | Q | 97.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 95.7 Ų | 95.7 | 31% | 0.308 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.7 | -77.5 | 177.6 | 61.8 | 0 | 0 | 112 | L494 D495 R500 V501 R502 | L494-Q498 WeakPolarHBondContact O-CB 3.46Å; L494-Q498 WeakPolarHBondContact O-CG 3.28Å; L494-Q498 PolarHBondContact O-N 3.45Å; D495-Q498 PolarHBondContact O-N 3.32Å; D495-Q498 PolarHBondContact OD1-NE2 2.96Å; D495-Q498 VanDerWaalsContact OD1-NE2 3.1Å; Q498-R500 VanDerWaalsContact C-N 3.34Å; Q498-V501 PolarHBondContact O-N 2.99Å; Q498-R502 WeakPolarHBondContact O-CG 3.3Å; Q498-R502 PolarHBondContact O-N 3.4Å |
| 499 | A | 96.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 97 Ų | 97 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | D495 S496 V501 R502 E503 | D495-A499 WeakPolarHBondContact O-CB 3.32Å; D495-A499 PolarHBondContact O-N 2.93Å; S496-A499 PolarHBondContact O-N 3.22Å; A499-V501 PolarHBondContact O-N 3.46Å; A499-R502 PolarHBondContact O-N 3.47Å; A499-E503 PolarHBondContact O-N 2.9Å |
| 500 | R | 96.5 | Very high | 96.1 | Very high | 127 Ų | 127 | 93.5 Ų | 93.5 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.2 | -34.8 | 176.2 | -173.5 | 57.4 | 177.9 | -174 | 9.7 | 113 | S496 M497 Q498 E503 L504 | S496-R500 WeakPolarHBondContact O-CB 3.45Å; S496-R500 PolarHBondContact O-N 2.82Å; M497-R500 PolarHBondContact O-N 2.97Å; Q498-R500 VanDerWaalsContact C-N 3.34Å; R500-E503 WeakPolarHBondContact CD-OE2 3.3Å; R500-E503 IonicContact CZ-OE1 3.39Å; R500-E503 IonicContact CZ-OE2 2.64Å; R500-E503 IonicContact NE-OE2 2.66Å; R500-E503 IonicContact NH1-OE1 3.36Å; R500-E503 PolarHBondContact NH1-OE1 2.97Å; R500-E503 IonicContact NH1-OE2 3.21Å; R500-E503 PolarHBondContact NH1-OE2 3.38Å; R500-L504 HydrophobicContact CG-CD1 4.23Å; R500-L504 WeakPolarHBondContact O-CB 3.47Å; R500-L504 WeakPolarHBondContact O-CD1 3.28Å; R500-L504 VanDerWaalsContact O-CG 3.24Å; R500-L504 WeakPolarHBondContact O-CG 3.38Å; R500-L504 PolarHBondContact O-N 3.5Å |
| 501 | V | 97.1 | Very high | 95.9 | Very high | 76 Ų | 76 | 92.8 Ų | 92.8 | 46% | 0.461 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 172.6 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | M497 Q498 A499 E503 L504 E505 | M497-V501 WeakPolarHBondContact O-CG2 3.35Å; M497-V501 PolarHBondContact O-N 3.26Å; Q498-V501 PolarHBondContact O-N 2.99Å; A499-V501 PolarHBondContact O-N 3.46Å; V501-E503 PolarHBondContact O-N 2.88Å; V501-L504 PolarHBondContact O-N 3.12Å; V501-E505 WeakPolarHBondContact O-CG 3.47Å; V501-E505 PolarHBondContact O-N 3.08Å |
| 502 | R | 96.7 | Very high | 95.7 | Very high | 147 Ų | 147 | 92.1 Ų | 92.1 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 175.4 | -69.2 | 169.8 | -169.9 | 138.6 | 12 | 112.2 | Q498 A499 E505 E506 | Q498-R502 WeakPolarHBondContact O-CG 3.3Å; Q498-R502 PolarHBondContact O-N 3.4Å; A499-R502 PolarHBondContact O-N 3.47Å; R502-E505 WeakPolarHBondContact O-CB 3.34Å; R502-E505 PolarHBondContact O-N 3.3Å; R502-E506 WeakPolarHBondContact O-CB 3.49Å; R502-E506 PolarHBondContact O-N 2.87Å |
| 503 | E | 95.9 | Very high | 95.4 | Very high | 73 Ų | 73 | 94.7 Ų | 94.7 | 34% | 0.341 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 174.9 | -168.6 | -154.5 | 143.9 | 0 | 0 | 111.7 | A499 R500 V501 E506 Q507 | A499-E503 PolarHBondContact O-N 2.9Å; R500-E503 WeakPolarHBondContact CD-OE2 3.3Å; R500-E503 IonicContact CZ-OE1 3.39Å; R500-E503 IonicContact CZ-OE2 2.64Å; R500-E503 IonicContact NE-OE2 2.66Å; R500-E503 IonicContact NH1-OE1 3.36Å; R500-E503 PolarHBondContact NH1-OE1 2.97Å; R500-E503 IonicContact NH1-OE2 3.21Å; R500-E503 PolarHBondContact NH1-OE2 3.38Å; V501-E503 PolarHBondContact O-N 2.88Å; E503-E506 PolarHBondContact O-N 2.77Å; E503-Q507 WeakPolarHBondContact O-CB 3.33Å; E503-Q507 VanDerWaalsContact O-CG 3.28Å; E503-Q507 WeakPolarHBondContact O-CG 3.5Å; E503-Q507 PolarHBondContact O-N 2.95Å; E503-Q507 PolarHBondContact OE1-NE2 2.96Å |
| 504 | L | 96.4 | Very high | 95.2 | Very high | 78 Ų | 78 | 96.7 Ų | 96.7 | 41% | 0.408 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 176.1 | -71.3 | 167.3 | 0 | 0 | 0 | 112.3 | R500 V501 Q507 C508 | R500-L504 HydrophobicContact CG-CD1 4.23Å; R500-L504 WeakPolarHBondContact O-CB 3.47Å; R500-L504 WeakPolarHBondContact O-CD1 3.28Å; R500-L504 VanDerWaalsContact O-CG 3.24Å; R500-L504 WeakPolarHBondContact O-CG 3.38Å; R500-L504 PolarHBondContact O-N 3.5Å; V501-L504 PolarHBondContact O-N 3.12Å; L504-Q507 PolarHBondContact O-N 3.31Å; L504-C508 WeakPolarHBondContact O-CB 3.42Å; L504-C508 PolarHBondContact O-N 3.47Å; L504-C508 PolarHBondContact O-SG 2.89Å |
| 505 | E | 96.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 98.5 Ų | 98.5 | 42% | 0.416 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 171.5 | -77.5 | -177.1 | -149.4 | 0 | 0 | 112 | V501 R502 C508 R509 | V501-E505 WeakPolarHBondContact O-CG 3.47Å; V501-E505 PolarHBondContact O-N 3.08Å; R502-E505 WeakPolarHBondContact O-CB 3.34Å; R502-E505 PolarHBondContact O-N 3.3Å; E505-C508 WeakPolarHBondContact O-CB 3.48Å; E505-C508 PolarHBondContact O-N 3.23Å; E505-R509 VanDerWaalsContact O-CG 3.29Å; E505-R509 WeakPolarHBondContact O-CG 3.42Å; E505-R509 PolarHBondContact O-N 3.14Å; E505-R509 IonicContact OE2-CZ 2.96Å; E505-R509 IonicContact OE2-NH2 2.86Å; E505-R509 PolarHBondContact OE2-NH2 2.92Å |
| 506 | E | 95.5 | Very high | 94.5 | Very high | 136 Ų | 136 | 96.4 Ų | 96.4 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.2 | -35.5 | 178.5 | -170.6 | 163.3 | -140.1 | 0 | 0 | 111.9 | R502 E503 R509 S510 | R502-E506 WeakPolarHBondContact O-CB 3.49Å; R502-E506 PolarHBondContact O-N 2.87Å; E503-E506 PolarHBondContact O-N 2.77Å; E506-R509 PolarHBondContact O-N 2.82Å; E506-S510 WeakPolarHBondContact O-CB 3.24Å; E506-S510 PolarHBondContact O-N 3.05Å; E506-S510 PolarHBondContact O-OG 2.78Å |
| 507 | Q | 95.2 | Very high | 94.2 | Very high | 75 Ų | 75 | 97 Ų | 97 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 168.1 | -73.4 | 166.9 | 16.6 | 0 | 0 | 111.8 | E503 L504 S510 Q511 | E503-Q507 WeakPolarHBondContact O-CB 3.33Å; E503-Q507 VanDerWaalsContact O-CG 3.28Å; E503-Q507 WeakPolarHBondContact O-CG 3.5Å; E503-Q507 PolarHBondContact O-N 2.95Å; E503-Q507 PolarHBondContact OE1-NE2 2.96Å; L504-Q507 PolarHBondContact O-N 3.31Å; Q507-S510 WeakPolarHBondContact CA-OG 3.49Å; Q507-S510 PolarHBondContact O-OG 3.21Å; Q507-Q511 WeakPolarHBondContact O-CB 3.34Å; Q507-Q511 VanDerWaalsContact O-CG 3.28Å; Q507-Q511 WeakPolarHBondContact O-CG 3.45Å; Q507-Q511 PolarHBondContact O-N 3.46Å |
| 508 | C | 92.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 95 Ų | 95 | 51% | 0.507 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 174 | -72.4 | 0 | 0 | 0 | 0 | 112.7 | L504 E505 T512 | L504-C508 WeakPolarHBondContact O-CB 3.42Å; L504-C508 PolarHBondContact O-N 3.47Å; L504-C508 PolarHBondContact O-SG 2.89Å; E505-C508 WeakPolarHBondContact O-CB 3.48Å; E505-C508 PolarHBondContact O-N 3.23Å; C508-T512 WeakPolarHBondContact O-CB 3.19Å; C508-T512 PolarHBondContact O-N 2.98Å; C508-T512 PolarHBondContact O-OG1 2.8Å |
| 509 | R | 94.6 | Very high | 93.2 | Very high | 149 Ų | 149 | 94.4 Ų | 94.4 | 56% | 0.562 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.9 | -50.8 | 176.7 | -70.8 | 171.2 | -155.1 | -174.4 | 8.4 | 111.3 | E505 E506 Q511 T512 E513 | E505-R509 VanDerWaalsContact O-CG 3.29Å; E505-R509 WeakPolarHBondContact O-CG 3.42Å; E505-R509 PolarHBondContact O-N 3.14Å; E505-R509 IonicContact OE2-CZ 2.96Å; E505-R509 IonicContact OE2-NH2 2.86Å; E505-R509 PolarHBondContact OE2-NH2 2.92Å; E506-R509 PolarHBondContact O-N 2.82Å; R509-Q511 VanDerWaalsContact C-N 3.34Å; R509-Q511 PolarHBondContact O-N 3.07Å; R509-T512 CarbonylContact O-C 3.57Å; R509-T512 WeakPolarHBondContact O-CA 3.28Å; R509-T512 WeakPolarHBondContact O-CB 3.49Å; R509-T512 PolarHBondContact O-N 3.04Å; R509-E513 WeakPolarHBondContact O-CG 3.48Å; R509-E513 PolarHBondContact O-N 3.35Å |
| 510 | S | 91.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 97.6 Ų | 97.6 | 32% | 0.315 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 178.3 | 52 | 0 | 0 | 0 | 0 | 113 | E506 Q507 E513 Q514 | E506-S510 WeakPolarHBondContact O-CB 3.24Å; E506-S510 PolarHBondContact O-N 3.05Å; E506-S510 PolarHBondContact O-OG 2.78Å; Q507-S510 WeakPolarHBondContact CA-OG 3.49Å; Q507-S510 PolarHBondContact O-OG 3.21Å; S510-E513 PolarHBondContact O-N 3.48Å; S510-Q514 VanDerWaalsContact O-CG 3.27Å; S510-Q514 WeakPolarHBondContact O-CG 3.48Å; S510-Q514 PolarHBondContact O-N 3.32Å |
| 511 | Q | 92.8 | Very high | 92 | Very high | 103 Ų | 103 | 96.7 Ų | 96.7 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 167.7 | -75.5 | 179.1 | 19.5 | 0 | 0 | 112.1 | Q507 R509 E513 Q514 F515 | Q507-Q511 WeakPolarHBondContact O-CB 3.34Å; Q507-Q511 VanDerWaalsContact O-CG 3.28Å; Q507-Q511 WeakPolarHBondContact O-CG 3.45Å; Q507-Q511 PolarHBondContact O-N 3.46Å; R509-Q511 VanDerWaalsContact C-N 3.34Å; R509-Q511 PolarHBondContact O-N 3.07Å; Q511-E513 VanDerWaalsContact C-N 3.31Å; Q511-E513 PolarHBondContact O-N 3.01Å; Q511-Q514 WeakPolarHBondContact O-CB 3.34Å; Q511-Q514 PolarHBondContact O-N 3.01Å; Q511-F515 HydrophobicContact CB-CE2 4.45Å; Q511-F515 WeakPolarHBondContact O-CD2 3.38Å; Q511-F515 PolarHBondContact O-N 3.29Å |
| 512 | T | 92.3 | Very high | 91.2 | Very high | 95 Ų | 95 | 98 Ų | 98 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | C508 R509 F515 S516 | C508-T512 WeakPolarHBondContact O-CB 3.19Å; C508-T512 PolarHBondContact O-N 2.98Å; C508-T512 PolarHBondContact O-OG1 2.8Å; R509-T512 CarbonylContact O-C 3.57Å; R509-T512 WeakPolarHBondContact O-CA 3.28Å; R509-T512 WeakPolarHBondContact O-CB 3.49Å; R509-T512 PolarHBondContact O-N 3.04Å; T512-F515 PolarHBondContact O-N 2.91Å; T512-S516 WeakPolarHBondContact O-CB 3.4Å; T512-S516 PolarHBondContact O-N 2.89Å |
| 513 | E | 92.2 | Very high | 90.4 | Very high | 119 Ų | 119 | 96.8 Ų | 96.8 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -45.3 | 174 | -72 | 165.4 | -174 | 0 | 0 | 111.2 | R509 S510 Q511 F515 S516 L517 | R509-E513 WeakPolarHBondContact O-CG 3.48Å; R509-E513 PolarHBondContact O-N 3.35Å; S510-E513 PolarHBondContact O-N 3.48Å; Q511-E513 VanDerWaalsContact C-N 3.31Å; Q511-E513 PolarHBondContact O-N 3.01Å; E513-F515 PolarHBondContact O-N 3.48Å; E513-S516 WeakPolarHBondContact O-CA 3.06Å; E513-S516 WeakPolarHBondContact O-CB 3.47Å; E513-S516 PolarHBondContact O-N 2.82Å; E513-S516 PolarHBondContact O-OG 3.46Å; E513-L517 WeakPolarHBondContact O-CG 3.29Å; E513-L517 PolarHBondContact O-N 3.32Å |
| 514 | Q | 91.7 | Very high | 89.2 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58 | -45.8 | 172.4 | -72.5 | 167.9 | 9.9 | 0 | 0 | 111.9 | S510 Q511 S516 L517 L518 | S510-Q514 VanDerWaalsContact O-CG 3.27Å; S510-Q514 WeakPolarHBondContact O-CG 3.48Å; S510-Q514 PolarHBondContact O-N 3.32Å; Q511-Q514 WeakPolarHBondContact O-CB 3.34Å; Q511-Q514 PolarHBondContact O-N 3.01Å; Q514-S516 VanDerWaalsContact C-N 3.27Å; Q514-S516 PolarHBondContact O-N 3.48Å; Q514-L517 PolarHBondContact O-N 2.92Å; Q514-L518 WeakPolarHBondContact O-CB 3.5Å; Q514-L518 WeakPolarHBondContact O-CG 3.44Å; Q514-L518 PolarHBondContact O-N 3.22Å |
| 515 | F | 91.3 | Very high | 87.7 | Confident | 139 Ų | 139 | 99.5 Ų | 99.5 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -32.5 | 173.3 | -73.5 | -58.5 | 0 | 0 | 0 | 112.7 | Q511 T512 E513 L518 A519 | Q511-F515 HydrophobicContact CB-CE2 4.45Å; Q511-F515 WeakPolarHBondContact O-CD2 3.38Å; Q511-F515 PolarHBondContact O-N 3.29Å; T512-F515 PolarHBondContact O-N 2.91Å; E513-F515 PolarHBondContact O-N 3.48Å; F515-L518 HydrophobicContact CD1-CD1 4.44Å; F515-A519 VanDerWaalsContact O-CB 3.24Å; F515-A519 WeakPolarHBondContact O-CB 3.28Å; F515-A519 PolarHBondContact O-N 2.99Å |
| 516 | S | 89.7 | Confident | 86.4 | Confident | 52 Ų | 52 | 105.1 Ų | 105.1 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.7 | -34.9 | 176.2 | 85.6 | 0 | 0 | 0 | 0 | 112.8 | T512 E513 Q514 A519 Q520 | T512-S516 WeakPolarHBondContact O-CB 3.4Å; T512-S516 PolarHBondContact O-N 2.89Å; E513-S516 WeakPolarHBondContact O-CA 3.06Å; E513-S516 WeakPolarHBondContact O-CB 3.47Å; E513-S516 PolarHBondContact O-N 2.82Å; E513-S516 PolarHBondContact O-OG 3.46Å; Q514-S516 VanDerWaalsContact C-N 3.27Å; Q514-S516 PolarHBondContact O-N 3.48Å; S516-A519 PolarHBondContact O-N 3.33Å; S516-Q520 VanDerWaalsContact O-CG 3.3Å; S516-Q520 WeakPolarHBondContact O-CG 3.47Å; S516-Q520 PolarHBondContact O-N 2.86Å; S516-Q520 PolarHBondContact O-NE2 2.9Å |
| 517 | L | 89.9 | Confident | 84.9 | Confident | 96 Ų | 96 | 104.9 Ų | 104.9 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.9 | -47.9 | 173.5 | -68.4 | 171.2 | 0 | 0 | 0 | 110.4 | E513 Q514 A519 Q520 E521 | E513-L517 WeakPolarHBondContact O-CG 3.29Å; E513-L517 PolarHBondContact O-N 3.32Å; Q514-L517 PolarHBondContact O-N 2.92Å; L517-A519 PolarHBondContact O-N 2.95Å; L517-Q520 CarbonylContact O-C 3.58Å; L517-Q520 WeakPolarHBondContact O-CA 3.46Å; L517-Q520 WeakPolarHBondContact O-CB 3.22Å; L517-Q520 PolarHBondContact O-N 3.48Å; L517-E521 WeakPolarHBondContact O-CG 3.5Å; L517-E521 PolarHBondContact O-N 3.3Å |
| 518 | L | 86.9 | Confident | 82.5 | Confident | 86 Ų | 86 | 109.1 Ų | 109.1 | 45% | 0.45 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57 | -37.8 | 172.6 | -75.2 | 162.9 | 0 | 0 | 0 | 112.1 | Q514 F515 L522 | Q514-L518 WeakPolarHBondContact O-CB 3.5Å; Q514-L518 WeakPolarHBondContact O-CG 3.44Å; Q514-L518 PolarHBondContact O-N 3.22Å; F515-L518 HydrophobicContact CD1-CD1 4.44Å; L518-L522 WeakPolarHBondContact O-CB 3.41Å; L518-L522 WeakPolarHBondContact O-CG 3.27Å; L518-L522 PolarHBondContact O-N 3.3Å |
| 519 | A | 85.4 | Confident | 80.4 | Confident | 53 Ų | 53 | 111.6 Ų | 111.6 | 44% | 0.438 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.5 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F515 S516 L517 Q523 | F515-A519 VanDerWaalsContact O-CB 3.24Å; F515-A519 WeakPolarHBondContact O-CB 3.28Å; F515-A519 PolarHBondContact O-N 2.99Å; S516-A519 PolarHBondContact O-N 3.33Å; L517-A519 PolarHBondContact O-N 2.95Å; A519-Q523 VanDerWaalsContact O-CB 3.27Å; A519-Q523 WeakPolarHBondContact O-CB 3.37Å; A519-Q523 PolarHBondContact O-N 2.81Å |
| 520 | Q | 84.8 | Confident | 77.6 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 56% | 0.556 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -41.8 | 173.9 | -74.4 | 171.1 | 55 | 0 | 0 | 111.9 | S516 L517 Q523 A524 | S516-Q520 VanDerWaalsContact O-CG 3.3Å; S516-Q520 WeakPolarHBondContact O-CG 3.47Å; S516-Q520 PolarHBondContact O-N 2.86Å; S516-Q520 PolarHBondContact O-NE2 2.9Å; L517-Q520 CarbonylContact O-C 3.58Å; L517-Q520 WeakPolarHBondContact O-CA 3.46Å; L517-Q520 WeakPolarHBondContact O-CB 3.22Å; L517-Q520 PolarHBondContact O-N 3.48Å; Q520-Q523 CarbonylContact O-C 3.53Å; Q520-Q523 PolarHBondContact O-N 3.32Å; Q520-A524 PolarHBondContact O-N 3.42Å |
| 521 | E | 83.4 | Confident | 75.6 | Confident | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.8 | -50.2 | 173.4 | -71.9 | 175.6 | 175.7 | 0 | 0 | 111 | L517 Q523 A524 F525 | L517-E521 WeakPolarHBondContact O-CG 3.5Å; L517-E521 PolarHBondContact O-N 3.3Å; E521-Q523 PolarHBondContact O-N 3.34Å; E521-A524 WeakPolarHBondContact O-CB 3.47Å; E521-A524 PolarHBondContact O-N 2.98Å; E521-F525 WeakPolarHBondContact O-CD2 3.44Å; E521-F525 PolarHBondContact O-N 3.07Å |
| 522 | L | 80.1 | Confident | 73.9 | Confident | 102 Ų | 102 | 114.7 Ų | 114.7 | 53% | 0.534 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.8 | -28.1 | 174.9 | -72.6 | 170.3 | 0 | 0 | 0 | 112.9 | L518 R526 | L518-L522 WeakPolarHBondContact O-CB 3.41Å; L518-L522 WeakPolarHBondContact O-CG 3.27Å; L518-L522 PolarHBondContact O-N 3.3Å; L522-R526 WeakPolarHBondContact O-CD 3.47Å; L522-R526 VanDerWaalsContact O-CG 3.3Å; L522-R526 WeakPolarHBondContact O-CG 3.34Å; L522-R526 PolarHBondContact O-N 2.7Å |
| 523 | Q | 79.3 | Confident | 71.6 | Confident | 122 Ų | 122 | 117 Ų | 117 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -79 | -33.9 | 173.3 | -171.4 | 163.3 | -16.8 | 0 | 0 | 112.3 | A519 Q520 E521 R526 L527 | A519-Q523 VanDerWaalsContact O-CB 3.27Å; A519-Q523 WeakPolarHBondContact O-CB 3.37Å; A519-Q523 PolarHBondContact O-N 2.81Å; Q520-Q523 CarbonylContact O-C 3.53Å; Q520-Q523 PolarHBondContact O-N 3.32Å; E521-Q523 PolarHBondContact O-N 3.34Å; Q523-R526 WeakPolarHBondContact O-CB 3.42Å; Q523-R526 PolarHBondContact O-N 2.68Å; Q523-L527 WeakPolarHBondContact O-CG 3.33Å; Q523-L527 PolarHBondContact O-N 3.25Å |
| 524 | A | 71.9 | Confident | 69.4 | Low | 50 Ų | 50 | 120 Ų | 120 | 41% | 0.413 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.6 | -42.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q520 E521 R526 L527 H528 | Q520-A524 PolarHBondContact O-N 3.42Å; E521-A524 WeakPolarHBondContact O-CB 3.47Å; E521-A524 PolarHBondContact O-N 2.98Å; A524-R526 PolarHBondContact O-N 3.48Å; A524-L527 PolarHBondContact O-N 3.1Å; A524-H528 PolarHBondContact O-N 2.88Å |
| 525 | F | 64.6 | Low | 67.3 | Low | 159 Ų | 159 | 121.7 Ų | 121.7 | 70% | 0.697 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -58.4 | -28.7 | 170.9 | -77.2 | -64.1 | 0 | 0 | 0 | 112.9 | E521 | E521-F525 WeakPolarHBondContact O-CD2 3.44Å; E521-F525 PolarHBondContact O-N 3.07Å |
| 526 | R | 69.2 | Low | 64.8 | Low | 207 Ų | 207 | 121 Ų | 121 | 78% | 0.781 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -14.1 | 173.9 | -72.6 | 168.7 | 178.7 | 175.9 | 1 | 114.1 | L522 Q523 A524 | L522-R526 WeakPolarHBondContact O-CD 3.47Å; L522-R526 VanDerWaalsContact O-CG 3.3Å; L522-R526 WeakPolarHBondContact O-CG 3.34Å; L522-R526 PolarHBondContact O-N 2.7Å; Q523-R526 WeakPolarHBondContact O-CB 3.42Å; Q523-R526 PolarHBondContact O-N 2.68Å; A524-R526 PolarHBondContact O-N 3.48Å |
| 527 | L | 62.3 | Low | 62.2 | Low | 130 Ų | 130 | 124.3 Ų | 124.3 | 68% | 0.681 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -7.2 | -179.9 | -68.6 | 170.2 | 0 | 0 | 0 | 113.3 | Q523 A524 P529 | Q523-L527 WeakPolarHBondContact O-CG 3.33Å; Q523-L527 PolarHBondContact O-N 3.25Å; A524-L527 PolarHBondContact O-N 3.1Å; L527-P529 VanDerWaalsContact C-CD 3.49Å; L527-P529 VanDerWaalsContact O-CD 3.31Å; L527-P529 WeakPolarHBondContact O-CD 3.24Å |
| 528 | H | 46.2 | Very low | 59.4 | Low | 165 Ų | 165 | 124 Ų | 124 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | trans | -114.9 | 82.4 | 173.9 | -84.7 | -69.8 | 0 | 0 | 0 | 113.2 | A524 G530 | A524-H528 PolarHBondContact O-N 2.88Å; H528-G530 PolarHBondContact O-N 2.93Å | ||
| 529 | P | 48.3 | Very low | 57.2 | Low | 127 Ų | 127 | 126.8 Ų | 126.8 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -82.5 | 109 | 166.6 | 31.9 | -31 | 0 | 0 | 0 | 111.1 | L527 | L527-P529 VanDerWaalsContact C-CD 3.49Å; L527-P529 VanDerWaalsContact O-CD 3.31Å; L527-P529 WeakPolarHBondContact O-CD 3.24Å | ||
| 530 | G | 36.2 | Very low | 54.7 | Low | 64 Ų | 64 | 131.1 Ų | 131.1 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | -143 | 148.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H528 | H528-G530 PolarHBondContact O-N 2.93Š| ||
| 531 | P | 49.2 | Very low | 52.1 | Low | 138 Ų | 138 | 132.3 Ų | 132.3 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | trans | -82.9 | 169.8 | -163.1 | 33 | -36.5 | 0 | 0 | 0 | 115.8 | ||||
| 532 | L | 57.2 | Low | 49.6 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -83.7 | 175.1 | -166.6 | -74.2 | 161.6 | 0 | 0 | 0 | 115.9 | ||||
| 533 | D | 44.1 | Very low | 47.6 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 82.9 | 104.6 | 157.8 | -61.1 | -24 | 0 | 0 | 0 | 120.2 | ||||
| 534 | L | 45.3 | Very low | 45.6 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 94% | 0.942 | 78% | 0.779 | S | S | * | * | trans | -156.3 | 131.8 | 140.1 | -111.7 | 161.8 | 0 | 0 | 0 | 109.7 | ||||
| 535 | L | 47.2 | Very low | 43.9 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -101.4 | 141 | -169.1 | -75.5 | 167.4 | 0 | 0 | 0 | 114.1 | ||||
| 536 | T | 38.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | 38.4 | 100.1 | 137.2 | -47.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 537 | S | 35.6 | Very low | 41.1 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 179 | 143.8 | 142.3 | -78.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 538 | A | 31.5 | Very low | 40.2 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | cis | -121.4 | 156.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 539 | L | 40.7 | Very low | 40.4 | Very low | 145 Ų | 145 | 127 Ų | 127 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | 69.1 | 94.4 | 52.1 | -79.4 | 171.9 | 0 | 0 | 0 | 115.4 | |||||
| 540 | D | 32.3 | Very low | 41.1 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 52.9 | 110.9 | 134.4 | -56.6 | -7.5 | 0 | 0 | 0 | 122.7 | ||||
| 541 | C | 31.1 | Very low | 41.6 | Very low | 143 Ų | 143 | 129 Ų | 129 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | trans | -167.6 | 125.3 | 135.7 | -106.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 542 | G | 30.5 | Very low | 41.5 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | cis | -169.8 | 178.4 | -4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 543 | S | 37.6 | Very low | 40.2 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -68.7 | 168.5 | 178 | -131.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 544 | L | 38.1 | Very low | 39.9 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | -169.9 | 140.6 | 55.4 | -176.7 | 69.3 | 0 | 0 | 0 | 114.6 | |||||
| 545 | G | 35.4 | Very low | 39.5 | Very low | 58 Ų | 58 | 122.6 Ų | 122.6 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | trans | 79.2 | 146.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 546 | D | 32.3 | Very low | 39.1 | Very low | 160 Ų | 160 | 123 Ų | 123 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | cis | -154.2 | 158.3 | -12.9 | -99.5 | -45.6 | 0 | 0 | 0 | 110 | ||||
| 547 | C | 42.8 | Very low | 39.5 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -88.2 | 160.7 | -178.8 | -50.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 548 | P | 43.9 | Very low | 39.5 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | -139.9 | 172 | 82.1 | 27.2 | -5.9 | 0 | 0 | 0 | 115.4 | |||||
| 549 | P | 50.5 | Low | 40.8 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -116.3 | -150.6 | -160 | 45.8 | -32.5 | 0 | 0 | 0 | 114.1 | ||||
| 550 | P | 63.6 | Low | 40.3 | Very low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | -112.3 | -170.1 | -120.9 | 36.1 | -15.1 | 0 | 0 | 0 | 114 | |||||
| 551 | P | 46.9 | Very low | 40.4 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | -148.4 | 172.1 | 105 | 39.8 | -24.9 | 0 | 0 | 0 | 116 | |||||
| 552 | C | 45.5 | Very low | 40.4 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 155.6 | 165.8 | -54.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 553 | C | 30.9 | Very low | 40.7 | Very low | 124 Ų | 124 | 128 Ų | 128 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -131.5 | 123.2 | 165.5 | -78.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 554 | C | 36.9 | Very low | 40.5 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -114.2 | 163 | 155.5 | -64.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 555 | S | 37.7 | Very low | 41.1 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 84.1 | 121 | 163.4 | -53 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 556 | I | 39.4 | Very low | 41.4 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -32 | 137.1 | 148.9 | -67.8 | 157.5 | 0 | 0 | 0 | 112 | ||||
| 557 | P | 46.1 | Very low | 41.4 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | -155.5 | 172.2 | 82.3 | 43.8 | -23.8 | 0 | 0 | 0 | 119.9 | |||||
| 558 | Q | 36.9 | Very low | 41.2 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -83.5 | -177.4 | 158.9 | -105.8 | -155.4 | 19 | 0 | 0 | 110.8 | ||||
| 559 | P | 57.1 | Low | 40.9 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | -140.2 | -166.5 | 9.7 | 32.4 | -7.4 | 0 | 0 | 0 | 116.4 | ||||
| 560 | C | 30.4 | Very low | 40.4 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 94 | 130 | 144.6 | -74 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 561 | R | 34.1 | Very low | 40.4 | Very low | 249 Ų | 249 | 128.5 Ų | 128.5 | 94% | 0.94 | 77% | 0.766 | S | S | * | * | trans | 61.2 | 149.3 | 154.5 | -61.4 | 176.2 | -176.3 | -108.3 | 2.7 | 117.6 | ||||
| 562 | G | 32.2 | Very low | 40.7 | Very low | 66 Ų | 66 | 129.2 Ų | 129.2 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 142.8 | 139.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 563 | S | 37.5 | Very low | 39.9 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | 81.7 | 133 | 174.1 | -53.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 564 | G | 33.1 | Very low | 40.2 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -94.3 | -162.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 565 | P | 50.8 | Low | 40.9 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | -158.2 | 156.3 | 104.8 | 40 | -21.6 | 0 | 0 | 0 | 119 | |||||
| 566 | K | 40.9 | Very low | 40.7 | Very low | 174 Ų | 174 | 124.6 Ų | 124.6 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | 67.5 | 163.3 | 134.1 | -72.6 | 177.9 | 151.6 | -109.6 | 0 | 120.6 | ||||
| 567 | D | 31.5 | Very low | 40.4 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 56% | 0.561 | 76% | 0.763 | S | S | * | * | cis | -162.1 | 154.3 | -8.7 | -107.6 | -18 | 0 | 0 | 0 | 106.2 | ||||
| 568 | L | 40.3 | Very low | 39.5 | Very low | 139 Ų | 139 | 128 Ų | 128 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | cis | -124.8 | -106 | -11.4 | -82.2 | 136.5 | 0 | 0 | 0 | 108 | ||||
| 569 | D | 36.3 | Very low | 39.3 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | cis | -165.4 | 159.3 | -30.1 | -120.8 | -15.2 | 0 | 0 | 0 | 106.8 | ||||
| 570 | L | 40.2 | Very low | 38.5 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | cis | -140.8 | 151.7 | -5.3 | -103.4 | -179.3 | 0 | 0 | 0 | 108.3 | ||||
| 571 | P | 63.2 | Low | 38.9 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | trans | -100.7 | 161.6 | 175.9 | 38.6 | -34.5 | 0 | 0 | 0 | 114.5 | ||||
| 572 | P | 54.4 | Low | 39 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | -136.6 | 157.7 | 123.9 | 38.7 | -29.8 | 0 | 0 | 0 | 113.7 | |||||
| 573 | G | 27.7 | Very low | 39.2 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 152.4 | 32.4 | 173 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 574 | S | 38.3 | Very low | 39 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -135.2 | 152.1 | -178.4 | -57 | 0 | 0 | 0 | 0 | 112 | ||||
| 575 | P | 51.7 | Low | 39.6 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | -141.2 | 166 | 99.2 | 39.1 | -26.8 | 0 | 0 | 0 | 113.5 | |||||
| 576 | G | 31.6 | Very low | 38.4 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 120.1 | 106.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 577 | R | 33.8 | Very low | 38.8 | Very low | 233 Ų | 233 | 128.2 Ų | 128.2 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -179.7 | 130.5 | 153.5 | -98.1 | 160.2 | -172.9 | -73.6 | -4.7 | 107.9 | ||||
| 578 | C | 26.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | 88.1 | 118 | 50.6 | -66.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 579 | T | 33.5 | Very low | 38 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -88.4 | 168.9 | 161.4 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 580 | P | 40.5 | Very low | 37.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -110 | 161.8 | 152.8 | 36 | -28.2 | 0 | 0 | 0 | 112.9 | ||||
| 581 | K | 37.7 | Very low | 36.9 | Very low | 207 Ų | 207 | 129.2 Ų | 129.2 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | trans | -82.8 | 173.1 | 167.8 | -55.7 | 173.7 | 175.6 | 177.3 | 0 | 109.5 | ||||
| 582 | S | 37.8 | Very low | 35.2 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | cis | -144.8 | 179.5 | 6.3 | 56.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 583 | S | 35.3 | Very low | 34.1 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | cis | -158.7 | 172.4 | 33.9 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 584 | E | 33.5 | Very low | 34.9 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 179 | 174.3 | -93.1 | -176.5 | 99.2 | 0 | 0 | 115.2 | ||||
| 585 | P | 45.7 | Very low | 34.5 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | -128.4 | -172.2 | 2.2 | 19.4 | 7 | 0 | 0 | 0 | 116.4 | ||||
| 586 | A | 26.2 | Very low | 33.7 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -95.9 | -158.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 587 | P | 48.8 | Very low | 33.6 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | cis | -144 | 166.4 | 4.4 | 43.8 | -24.4 | 0 | 0 | 0 | 120 | ||||
| 588 | A | 28.1 | Very low | 33.2 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 56.5 | 163.2 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 589 | T | 26.1 | Very low | 33.4 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | cis | -147.7 | 159.7 | 8.1 | -35.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 590 | L | 28.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -97.4 | 141.5 | 168.9 | -78.6 | 166.9 | 0 | 0 | 0 | 112.3 | ||||
| 591 | T | 25 | Very low | 32.6 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | -172.4 | 147 | 145.3 | 11.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 592 | G | 27.6 | Very low | 32.2 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 85.5 | 88.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 593 | V | 31.6 | Very low | 31.9 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -89.7 | 134.3 | 151.6 | 170.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 594 | P | 45.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | -162.2 | 168.4 | 84 | 43.1 | -21.6 | 0 | 0 | 0 | 121.7 | |||||
| 595 | R | 29.9 | Very low | 31.5 | Very low | 246 Ų | 246 | 136.8 Ų | 136.8 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | trans | 83.8 | 165.4 | 144.4 | -89.4 | 175.6 | 177.9 | -175.4 | -1 | 120.8 | ||||
| 596 | R | 34.9 | Very low | 30.8 | Very low | 227 Ų | 227 | 138.2 Ų | 138.2 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -114.6 | 147.4 | -161.4 | -57.5 | 154.4 | 78.3 | 177.3 | 6.3 | 110.2 | ||||
| 597 | T | 28.8 | Very low | 31.1 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | 153.2 | 158.7 | 116.9 | 48 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 598 | A | 26 | Very low | 30.4 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 81.1 | 104.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 599 | K | 30.9 | Very low | 30.5 | Very low | 207 Ų | 207 | 142 Ų | 142 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | 64.8 | 124.6 | 120.9 | -71.9 | -179.1 | 174.7 | 177.5 | 0 | 122.8 | |||||
| 600 | K | 27.4 | Very low | 30.9 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | 86.8 | 111.9 | 127.6 | -168.4 | -173.9 | 179.8 | -147.1 | 0 | 120.1 | |||||
| 601 | A | 28.9 | Very low | 30.8 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | trans | 65.6 | 164.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 602 | E | 29.4 | Very low | 31.3 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | cis | -151.2 | 154.5 | 19.4 | -148.3 | 140.8 | -108 | 0 | 0 | 114.6 | ||||
| 603 | S | 31.4 | Very low | 31.5 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | 27.1 | 131.2 | 156.4 | 61.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 604 | L | 30.6 | Very low | 31.5 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | -138.8 | 146.7 | 114.6 | -83 | -174 | 0 | 0 | 0 | 110.3 | |||||
| 605 | S | 31 | Very low | 30.7 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | -109.5 | 168.3 | -177.9 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 606 | N | 29.5 | Very low | 30.9 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | -169.7 | 140 | 61.1 | -89.3 | -49.6 | 0 | 0 | 0 | 110.9 | |||||
| 607 | S | 32.8 | Very low | 31.1 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 78.9 | 144.1 | 108.1 | -153.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 608 | S | 35 | Very low | 31.4 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | cis | -134.7 | 141.8 | 13 | -57.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 609 | H | 28.8 | Very low | 32 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | 56.8 | 106.7 | 93.3 | -128.2 | -77.8 | 0 | 0 | 0 | 113.7 | |||||
| 610 | S | 34.8 | Very low | 32.1 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | 86.7 | 116.8 | 41 | -58.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 611 | E | 28.1 | Very low | 32.8 | Very low | 203 Ų | 203 | 132.9 Ų | 132.9 | 95% | 0.949 | 77% | 0.771 | S | S | * | * | trans | -156.9 | 167.9 | 153.4 | -141.7 | 166.9 | -140.3 | 0 | 0 | 111.8 | ||||
| 612 | S | 33.6 | Very low | 33 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -148.6 | 164.9 | -174 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 613 | I | 31.8 | Very low | 33.6 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | 179.5 | 158.7 | 141.3 | -96.8 | 157.2 | 0 | 0 | 0 | 112.3 | ||||
| 614 | H | 32.5 | Very low | 33.3 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -68.4 | 153.2 | -178.6 | -52.4 | -108.5 | 0 | 0 | 0 | 114.3 | ||||
| 615 | N | 27.6 | Very low | 33.3 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 174.3 | 158.2 | 98.9 | -92.1 | -58.6 | 0 | 0 | 0 | 114.1 | |||||
| 616 | S | 34.7 | Very low | 33.1 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -107 | 156.8 | 159 | -68.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 617 | P | 39 | Very low | 33 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | -147.1 | 170.6 | 105.7 | 36.8 | -21.1 | 0 | 0 | 0 | 115.4 | |||||
| 618 | K | 34.7 | Very low | 32.7 | Very low | 201 Ų | 201 | 142.2 Ų | 142.2 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -111.3 | 148.6 | 157.5 | -73.8 | 179.2 | 175.9 | 173.2 | 0 | 107.7 | ||||
| 619 | P | 40 | Very low | 32.3 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -144.6 | -174.7 | 90.7 | 35.3 | -16.4 | 0 | 0 | 0 | 115.5 | |||||
| 620 | S | 31.8 | Very low | 32.1 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 179.3 | 174.4 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 621 | P | 42 | Very low | 31.8 | Very low | 123 Ų | 123 | 149 Ų | 149 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | cis | -141.7 | -167.9 | 18.4 | 43.8 | -22.6 | 0 | 0 | 0 | 118 | ||||
| 622 | T | 34.5 | Very low | 31.8 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -78.9 | 158.9 | 176.7 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 623 | P | 41 | Very low | 31.4 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | -153.3 | 170.2 | 98.9 | 40 | -21.8 | 0 | 0 | 0 | 118.2 | |||||
| 624 | F | 26 | Very low | 31.2 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 77% | 0.768 | 80% | 0.803 | S | S | * | * | trans | 5.8 | 132.7 | 155.2 | -85 | -103.1 | 0 | 0 | 0 | 122.8 | ||||
| 625 | V | 29.5 | Very low | 30.9 | Very low | 132 Ų | 132 | 151 Ų | 151 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -140.6 | 138.3 | 130.7 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | L627 | V625-L627 HydrophobicContact CG1-CG 4.49Š| ||
| 626 | R | 26.5 | Very low | 30.9 | Very low | 220 Ų | 220 | 153.6 Ų | 153.6 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -111.1 | 129.4 | 163 | -74.6 | 175.6 | 172.9 | 163.6 | -4.2 | 109.4 | ||||
| 627 | L | 27.3 | Very low | 30.6 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -145.7 | 97.9 | 159.2 | -82.2 | 170.7 | 0 | 0 | 0 | 107.9 | V625 | V625-L627 HydrophobicContact CG1-CG 4.49Š| ||
| 628 | T | 27.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 158.5 Ų | 158.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | 74.5 | 135.5 | 90.3 | 56.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 629 | A | 27 | Very low | 30 | Very low | 100 Ų | 100 | 154.2 Ų | 154.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -86 | 148.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 630 | M | 24.6 | Very low | 29.4 | Very low | 177 Ų | 177 | 154 Ų | 154 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -111.6 | 110.3 | 167.2 | -154 | 69.3 | -179.4 | 0 | 0 | 110.9 | ||||
| 631 | R | 27.2 | Very low | 29.5 | Very low | 240 Ų | 240 | 154.8 Ų | 154.8 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -92 | 99.4 | -176.3 | -168.6 | -171.4 | -146.3 | -125.8 | 11.8 | 110.1 | S633 | R631-S633 PolarHBondContact O-N 3.24Š| ||
| 632 | R | 27.7 | Very low | 29.3 | Very low | 230 Ų | 230 | 154.8 Ų | 154.8 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -89.2 | 100 | 173.1 | -80.1 | -171.3 | 169.2 | 178.1 | -2 | 111.8 | ||||
| 633 | S | 26.5 | Very low | 29.1 | Very low | 90 Ų | 90 | 154 Ų | 154 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | trans | -72.7 | 134.8 | 163 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | R631 | R631-S633 PolarHBondContact O-N 3.24Š| ||
| 634 | W | 26.5 | Very low | 28.9 | Very low | 232 Ų | 232 | 153 Ų | 153 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -125.1 | 92.4 | 167.2 | -107.1 | 33.7 | 0 | 0 | 0 | 109 | ||||
| 635 | S | 26.4 | Very low | 29.6 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -86.3 | 123.1 | 165.1 | -62.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 636 | R | 28.2 | Very low | 30.3 | Very low | 207 Ų | 207 | 148 Ų | 148 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -131.7 | 116.7 | 157 | -83.2 | -168.1 | 172.6 | -118.5 | -1.8 | 109 | ||||
| 637 | S | 29.3 | Very low | 31 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 128.1 | 168.9 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 638 | W | 28.5 | Very low | 31.6 | Very low | 222 Ų | 222 | 143.6 Ų | 143.6 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -130.8 | 121.2 | 168.8 | -89.8 | 58.8 | 0 | 0 | 0 | 107.8 | ||||
| 639 | S | 31.7 | Very low | 32.4 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 153.9 | -175.2 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | P641 | S639-P641 WeakPolarHBondContact O-CD 3.43Š|
| 640 | C | 27.4 | Very low | 33.2 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 137.1 | 172.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 641 | P | 33.7 | Very low | 34.3 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 138.8 | 140.5 | 33.1 | -29.4 | 0 | 0 | 0 | 110 | S639 | S639-P641 WeakPolarHBondContact O-CD 3.43Š|
| 642 | S | 37.8 | Very low | 35.2 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 118.7 | -179.4 | -64.3 | 0 | 0 | 0 | 0 | 112 | ||
| 643 | S | 31.4 | Very low | 36.1 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | trans | -165 | 149.1 | 149.2 | -162 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 644 | S | 35.2 | Very low | 37 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | 69.6 | 147.7 | 162.2 | 83.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 645 | S | 41.5 | Very low | 37.9 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -87.5 | -9.3 | -169.1 | 50 | 0 | 0 | 0 | 0 | 115.2 | A647 | S645-A647 VanDerWaalsContact C-N 3.34Å; S645-A647 PolarHBondContact O-N 3.35Å |
| 646 | V | 44.3 | Very low | 38.9 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 62% | 0.624 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -25.7 | -165 | -173.1 | 0 | 0 | 0 | 0 | 113.8 | R648 S649 | V646-R648 PolarHBondContact O-N 3.01Å; V646-S649 PolarHBondContact O-OG 2.92Å; V646-S649 VanDerWaalsContact O-OG 3.07Å |
| 647 | A | 40 | Very low | 39.8 | Very low | 66 Ų | 66 | 126.3 Ų | 126.3 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -66.3 | -30.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S645 S650 L651 | S645-A647 VanDerWaalsContact C-N 3.34Å; S645-A647 PolarHBondContact O-N 3.35Å; A647-S650 PolarHBondContact O-N 2.94Å; A647-L651 PolarHBondContact O-N 3.46Å |
| 648 | R | 41.7 | Very low | 40.5 | Very low | 209 Ų | 209 | 128.7 Ų | 128.7 | 79% | 0.789 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -71.4 | -38.7 | -171.1 | -56.6 | -173.5 | -160.4 | -130.4 | 2.4 | 112.4 | V646 L651 A652 | V646-R648 PolarHBondContact O-N 3.01Å; R648-L651 PolarHBondContact O-N 3.28Å; R648-A652 WeakPolarHBondContact O-CB 3.43Å; R648-A652 PolarHBondContact O-N 2.85Å |
| 649 | S | 44 | Very low | 41.1 | Very low | 73 Ų | 73 | 127.9 Ų | 127.9 | 51% | 0.51 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -67.1 | -36.8 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | V646 S653 | V646-S649 PolarHBondContact O-OG 2.92Å; V646-S649 VanDerWaalsContact O-OG 3.07Å; S649-S653 VanDerWaalsContact O-CB 3.25Å; S649-S653 WeakPolarHBondContact O-CB 3.13Å; S649-S653 PolarHBondContact O-N 2.72Å; S649-S653 PolarHBondContact O-OG 3.24Å |
| 650 | S | 44.2 | Very low | 41.8 | Very low | 60 Ų | 60 | 130.4 Ų | 130.4 | 42% | 0.42 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -64 | -45 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | A647 S653 R654 | A647-S650 PolarHBondContact O-N 2.94Å; S650-S653 PolarHBondContact O-N 3.37Å; S650-R654 WeakPolarHBondContact O-CB 3.3Å; S650-R654 WeakPolarHBondContact O-CG 3.45Å; S650-R654 PolarHBondContact O-N 2.92Å |
| 651 | L | 46.2 | Very low | 42.6 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 56% | 0.555 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.8 | -42.4 | 175.9 | -87.3 | 162.5 | 0 | 0 | 0 | 112.7 | A647 R648 S653 R654 R655 | A647-L651 PolarHBondContact O-N 3.46Å; R648-L651 PolarHBondContact O-N 3.28Å; L651-S653 VanDerWaalsContact C-N 3.33Å; L651-S653 PolarHBondContact O-N 2.86Å; L651-R654 PolarHBondContact O-N 3.3Å; L651-R655 WeakPolarHBondContact O-CB 3.47Å; L651-R655 WeakPolarHBondContact O-CG 3.44Å; L651-R655 PolarHBondContact O-N 2.94Å |
| 652 | A | 47.7 | Very low | 42.8 | Very low | 55 Ų | 55 | 138.5 Ų | 138.5 | 46% | 0.455 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -60.2 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R648 R655 R656 | R648-A652 WeakPolarHBondContact O-CB 3.43Å; R648-A652 PolarHBondContact O-N 2.85Å; A652-R655 PolarHBondContact O-N 2.86Å; A652-R656 PolarHBondContact O-N 3.42Å |
| 653 | S | 45.9 | Very low | 43.2 | Very low | 65 Ų | 65 | 136.6 Ų | 136.6 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -66.4 | -41.8 | 177.1 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | S649 S650 L651 R656 R657 | S649-S653 VanDerWaalsContact O-CB 3.25Å; S649-S653 WeakPolarHBondContact O-CB 3.13Å; S649-S653 PolarHBondContact O-N 2.72Å; S649-S653 PolarHBondContact O-OG 3.24Å; S650-S653 PolarHBondContact O-N 3.37Å; L651-S653 VanDerWaalsContact C-N 3.33Å; L651-S653 PolarHBondContact O-N 2.86Å; S653-R656 PolarHBondContact O-N 2.88Å; S653-R657 WeakPolarHBondContact O-CB 3.41Å; S653-R657 WeakPolarHBondContact O-CG 3.27Å; S653-R657 PolarHBondContact O-N 2.95Å |
| 654 | R | 45.8 | Very low | 43.7 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 70% | 0.698 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.5 | -39.1 | 172.8 | -76.7 | -176.2 | 172.8 | -154.4 | -1.7 | 111.5 | S650 L651 R657 K658 | S650-R654 WeakPolarHBondContact O-CB 3.3Å; S650-R654 WeakPolarHBondContact O-CG 3.45Å; S650-R654 PolarHBondContact O-N 2.92Å; L651-R654 PolarHBondContact O-N 3.3Å; R654-R657 PolarHBondContact O-N 2.83Å; R654-K658 WeakPolarHBondContact O-CB 3.46Å; R654-K658 PolarHBondContact O-N 2.78Å |
| 655 | R | 44.8 | Very low | 43.8 | Very low | 196 Ų | 196 | 145 Ų | 145 | 74% | 0.74 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.6 | -47.3 | 173.3 | -75.1 | -176 | 178.2 | -155.9 | 0.8 | 111.9 | L651 A652 R657 K658 R659 | L651-R655 WeakPolarHBondContact O-CB 3.47Å; L651-R655 WeakPolarHBondContact O-CG 3.44Å; L651-R655 PolarHBondContact O-N 2.94Å; A652-R655 PolarHBondContact O-N 2.86Å; R655-R657 PolarHBondContact O-N 3.17Å; R655-K658 PolarHBondContact O-N 2.99Å; R655-R659 PolarHBondContact O-N 3.47Å |
| 656 | R | 46.6 | Very low | 43.8 | Very low | 210 Ų | 210 | 150.2 Ų | 150.2 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -58.7 | -44.4 | 173 | -86.1 | -173.3 | 170 | -169.1 | -2.6 | 111.7 | A652 S653 R659 K660 | A652-R656 PolarHBondContact O-N 3.42Å; S653-R656 PolarHBondContact O-N 2.88Å; R656-R659 PolarHBondContact O-N 3.28Å; R656-K660 WeakPolarHBondContact O-CB 3.48Å; R656-K660 PolarHBondContact O-N 2.94Å |
| 657 | R | 48.2 | Very low | 43.6 | Very low | 197 Ų | 197 | 155.3 Ų | 155.3 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65 | -38.5 | 175.7 | -73.9 | -177.5 | 178.9 | -170 | 1.1 | 112.7 | S653 R654 R655 R661 | S653-R657 WeakPolarHBondContact O-CB 3.41Å; S653-R657 WeakPolarHBondContact O-CG 3.27Å; S653-R657 PolarHBondContact O-N 2.95Å; R654-R657 PolarHBondContact O-N 2.83Å; R655-R657 PolarHBondContact O-N 3.17Å; R657-R661 WeakPolarHBondContact O-CB 3.47Å; R657-R661 PolarHBondContact O-N 3.44Å |
| 658 | K | 43.3 | Very low | 43.4 | Very low | 167 Ų | 167 | 156 Ų | 156 | 73% | 0.726 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65 | -41.9 | 171.4 | -99.4 | -176.1 | 174.1 | 179.2 | 0 | 112.2 | R654 R655 R661 R662 | R654-K658 WeakPolarHBondContact O-CB 3.46Å; R654-K658 PolarHBondContact O-N 2.78Å; R655-K658 PolarHBondContact O-N 2.99Å; K658-R661 PolarHBondContact O-N 2.99Å; K658-R662 PolarHBondContact O-N 2.91Å |
| 659 | R | 41.1 | Very low | 43.2 | Very low | 205 Ų | 205 | 153 Ų | 153 | 77% | 0.774 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.3 | -47.3 | 175.5 | -132.3 | 176.8 | -174.2 | 179 | 1.3 | 110.9 | R655 R656 R661 R662 T663 | R655-R659 PolarHBondContact O-N 3.47Å; R656-R659 PolarHBondContact O-N 3.28Å; R659-R661 PolarHBondContact O-N 3.4Å; R659-R662 PolarHBondContact O-N 3.28Å; R659-R662 VanDerWaalsContact O-N 3.15Å; R659-T663 PolarHBondContact O-N 3.44Å; R659-T663 PolarHBondContact O-OG1 2.82Å |
| 660 | K | 47.1 | Very low | 42.8 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.2 | -29.2 | 178.8 | -154.6 | 166.7 | -173 | 173.9 | 0 | 113.3 | R656 T663 R664 | R656-K660 WeakPolarHBondContact O-CB 3.48Å; R656-K660 PolarHBondContact O-N 2.94Å; K660-T663 WeakPolarHBondContact CA-OG1 3.3Å; K660-T663 PolarHBondContact O-OG1 2.89Å; K660-R664 WeakPolarHBondContact O-CB 3.37Å; K660-R664 PolarHBondContact O-N 3.04Å; K660-R664 VanDerWaalsContact O-N 3.09Å |
| 661 | R | 43.9 | Very low | 42.6 | Very low | 208 Ų | 208 | 158.2 Ų | 158.2 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -72.6 | -38.8 | 167.2 | -82.7 | -169.1 | 172.8 | -166.3 | -1.8 | 112.8 | R657 K658 R659 R664 R665 | R657-R661 WeakPolarHBondContact O-CB 3.47Å; R657-R661 PolarHBondContact O-N 3.44Å; K658-R661 PolarHBondContact O-N 2.99Å; R659-R661 PolarHBondContact O-N 3.4Å; R661-R664 PolarHBondContact O-N 2.77Å; R661-R665 PolarHBondContact O-N 3.39Å |
| 662 | R | 38.7 | Very low | 42.1 | Very low | 208 Ų | 208 | 157.1 Ų | 157.1 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -64.8 | -40.8 | 174.1 | -86.2 | -174.1 | 168.4 | -179.4 | -4.1 | 112.3 | K658 R659 R665 R666 | K658-R662 PolarHBondContact O-N 2.91Å; R659-R662 PolarHBondContact O-N 3.28Å; R659-R662 VanDerWaalsContact O-N 3.15Å; R662-R665 PolarHBondContact O-N 3.22Å; R662-R666 PolarHBondContact O-N 3.49Å |
| 663 | T | 45.9 | Very low | 41.4 | Very low | 84 Ų | 84 | 160.8 Ų | 160.8 | 52% | 0.515 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -71.2 | -36.5 | 175.3 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | R659 K660 R666 R667 | R659-T663 PolarHBondContact O-N 3.44Å; R659-T663 PolarHBondContact O-OG1 2.82Å; K660-T663 WeakPolarHBondContact CA-OG1 3.3Å; K660-T663 PolarHBondContact O-OG1 2.89Å; T663-R666 PolarHBondContact O-N 2.86Å; T663-R667 PolarHBondContact O-N 3.23Å |
| 664 | R | 42.4 | Very low | 40.7 | Very low | 200 Ų | 200 | 165.9 Ų | 165.9 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -61.9 | -41.8 | 168.8 | -98.1 | -170.4 | 170.2 | -179.7 | -2.6 | 112.5 | K660 R661 R666 R667 S668 | K660-R664 WeakPolarHBondContact O-CB 3.37Å; K660-R664 PolarHBondContact O-N 3.04Å; K660-R664 VanDerWaalsContact O-N 3.09Å; R661-R664 PolarHBondContact O-N 2.77Å; R664-R666 PolarHBondContact O-N 2.88Å; R664-R667 PolarHBondContact O-N 2.71Å; R664-S668 PolarHBondContact O-N 2.92Å; R664-S668 PolarHBondContact O-OG 3.29Å |
| 665 | R | 36.9 | Very low | 40.3 | Very low | 184 Ų | 184 | 161.4 Ų | 161.4 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -64 | -37.6 | 175.4 | -118.5 | -170.2 | -175.1 | -162.9 | 1.6 | 112.7 | R661 R662 S668 Q669 | R661-R665 PolarHBondContact O-N 3.39Å; R662-R665 PolarHBondContact O-N 3.22Å; R665-S668 PolarHBondContact O-N 3.22Å; R665-S668 PolarHBondContact O-OG 2.93Å; R665-Q669 WeakPolarHBondContact O-CB 3.47Å; R665-Q669 WeakPolarHBondContact O-CG 3.31Å; R665-Q669 PolarHBondContact O-N 3.36Å |
| 666 | R | 40 | Very low | 39.9 | Very low | 209 Ų | 209 | 161.6 Ų | 161.6 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -66.6 | -40.8 | 172.6 | -82.7 | -165.8 | 169 | -152.9 | -3.3 | 112.6 | R662 T663 R664 Q669 G670 | R662-R666 PolarHBondContact O-N 3.49Å; T663-R666 PolarHBondContact O-N 2.86Å; R664-R666 PolarHBondContact O-N 2.88Å; R666-Q669 PolarHBondContact O-N 3.05Å; R666-G670 PolarHBondContact O-N 2.81Å |
| 667 | R | 41.6 | Very low | 39.7 | Very low | 211 Ų | 211 | 157 Ų | 157 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -64.5 | -39.8 | 172.5 | -79.6 | -166.2 | 174.5 | -168.8 | -1.6 | 112.5 | T663 R664 Q669 G670 | T663-R667 PolarHBondContact O-N 3.23Å; R664-R667 PolarHBondContact O-N 2.71Å; R667-Q669 VanDerWaalsContact C-N 3.26Å; R667-Q669 PolarHBondContact O-N 2.92Å; R667-G670 PolarHBondContact O-N 3.19Å |
| 668 | S | 36.3 | Very low | 39 | Very low | 80 Ų | 80 | 155 Ų | 155 | 56% | 0.559 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -1.1 | 177.4 | 75.5 | 0 | 0 | 0 | 0 | 114.9 | R664 R665 | R664-S668 PolarHBondContact O-N 2.92Å; R664-S668 PolarHBondContact O-OG 3.29Å; R665-S668 PolarHBondContact O-N 3.22Å; R665-S668 PolarHBondContact O-OG 2.93Å |
| 669 | Q | 37.1 | Very low | 38.6 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -13.7 | 169.1 | -71.9 | -176 | -77 | 0 | 0 | 112 | R665 R666 R667 Q671 | R665-Q669 WeakPolarHBondContact O-CB 3.47Å; R665-Q669 WeakPolarHBondContact O-CG 3.31Å; R665-Q669 PolarHBondContact O-N 3.36Å; R666-Q669 PolarHBondContact O-N 3.05Å; R667-Q669 VanDerWaalsContact C-N 3.26Å; R667-Q669 PolarHBondContact O-N 2.92Å; Q669-Q671 VanDerWaalsContact C-N 3.28Å |
| 670 | G | 35.2 | Very low | 38.5 | Very low | 69 Ų | 69 | 153.6 Ų | 153.6 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -91.5 | 24.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R666 R667 | R666-G670 PolarHBondContact O-N 2.81Å; R667-G670 PolarHBondContact O-N 3.19Å |
| 671 | Q | 40.4 | Very low | 37.7 | Very low | 172 Ų | 172 | 153.5 Ų | 153.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -146.4 | 65.5 | -178 | -146.1 | 171.7 | 14.3 | 0 | 0 | 110.1 | Q669 | Q669-Q671 VanDerWaalsContact C-N 3.28Š|
| 672 | A | 34.5 | Very low | 36.9 | Very low | 84 Ų | 84 | 151 Ų | 151 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -150.7 | 130.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 673 | V | 33.4 | Very low | 37 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | 59.1 | 86.4 | 170.3 | -162.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 674 | L | 31.1 | Very low | 36.2 | Very low | 171 Ų | 171 | 153 Ų | 153 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -91.4 | 131.6 | 132.6 | -83.5 | 166.8 | 0 | 0 | 0 | 106.9 | ||||
| 675 | P | 38.3 | Very low | 35.5 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 138.8 | 175.1 | 32.1 | -32.6 | 0 | 0 | 0 | 111.9 | T677 | P675-T677 VanDerWaalsContact C-N 3.27Å; P675-T677 PolarHBondContact O-N 2.83Å | ||
| 676 | E | 35.4 | Very low | 35.1 | Very low | 200 Ų | 200 | 149.1 Ų | 149.1 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -77.6 | 67.1 | 177.5 | -67.2 | 177.2 | 111.7 | 0 | 0 | 112.4 | ||
| 677 | T | 42.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -142.1 | 77.5 | 172.2 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | P675 | P675-T677 VanDerWaalsContact C-N 3.27Å; P675-T677 PolarHBondContact O-N 2.83Å | ||
| 678 | L | 34.1 | Very low | 33.7 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -165.1 | 19.7 | 154.4 | -111.3 | 167.1 | 0 | 0 | 0 | 114.9 | R680 | L678-R680 PolarHBondContact O-N 3.02Š| ||
| 679 | A | 34 | Very low | 33.3 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -83.4 | 47 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 680 | R | 39.2 | Very low | 32.7 | Very low | 237 Ų | 237 | 142.7 Ų | 142.7 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -171.5 | 86.1 | 171.3 | -111.8 | 173.8 | -173.2 | -149.4 | 0.8 | 111.6 | L678 | L678-R680 PolarHBondContact O-N 3.02Š| ||
| 681 | L | 31.4 | Very low | 32.4 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -162.4 | 139.3 | 148.9 | -106.5 | 166 | 0 | 0 | 0 | 106.8 | ||||
| 682 | N | 27.4 | Very low | 31.8 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -76.6 | 156.4 | -166.4 | -77.9 | -21.1 | 0 | 0 | 0 | 113.3 | H684 | N682-H684 PolarHBondContact O-N 3Š| ||
| 683 | L | 39.3 | Very low | 31.5 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -56.2 | 124.4 | 159.6 | -78.1 | 62.3 | 0 | 0 | 0 | 108.7 | ||||
| 684 | H | 30.3 | Very low | 31.2 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -153.4 | 125.6 | 156.8 | -128.3 | -88.3 | 0 | 0 | 0 | 112.3 | N682 | N682-H684 PolarHBondContact O-N 3Š| ||
| 685 | C | 27.9 | Very low | 31.3 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 65.6 | 170.4 | 168.2 | -59.9 | 0 | 0 | 0 | 0 | 118.5 | ||
| 686 | W | 28.1 | Very low | 31.2 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 72 | 35.7 | 172.6 | -52.8 | 94 | 0 | 0 | 0 | 117.8 | W688 | W686-W688 VanDerWaalsContact C-N 3.31Å; W686-W688 HydrophobicContact CE3-CD2 4.48Å; W686-W688 HydrophobicContact CE3-CZ2 4.45Å; W686-W688 AromaticContact CE3-NE1 3.82Å; W686-W688 AromaticContact CZ3-CE2 3.74Å; W686-W688 AromaticContact CZ3-CZ2 3.73Å; W686-W688 HydrophobicContact CZ3-CZ2 3.73Å; W686-W688 AromaticContact CZ3-NE1 3.79Å; W686-W688 PolarHBondContact O-N 2.91Å; W686-W688 VanDerWaalsContact O-N 3.09Å | ||
| 687 | G | 26 | Very low | 31.1 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -72 | 84 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 688 | W | 26.9 | Very low | 30.7 | Very low | 211 Ų | 211 | 147 Ų | 147 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -90.5 | 95.7 | 165.6 | -86.5 | 15.9 | 0 | 0 | 0 | 109.4 | W686 V690 | W686-W688 VanDerWaalsContact C-N 3.31Å; W686-W688 HydrophobicContact CE3-CD2 4.48Å; W686-W688 HydrophobicContact CE3-CZ2 4.45Å; W686-W688 AromaticContact CE3-NE1 3.82Å; W686-W688 AromaticContact CZ3-CE2 3.74Å; W686-W688 AromaticContact CZ3-CZ2 3.73Å; W686-W688 HydrophobicContact CZ3-CZ2 3.73Å; W686-W688 AromaticContact CZ3-NE1 3.79Å; W686-W688 PolarHBondContact O-N 2.91Å; W686-W688 VanDerWaalsContact O-N 3.09Å; W688-V690 PolarHBondContact O-N 3.38Å | ||
| 689 | A | 26.7 | Very low | 30.6 | Very low | 88 Ų | 88 | 144.3 Ų | 144.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 109.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T691 | A689-T691 VanDerWaalsContact C-N 3.28Å; A689-T691 PolarHBondContact O-N 3.48Å; A689-T691 VanDerWaalsContact O-N 3.07Å | ||
| 690 | V | 25.1 | Very low | 30.6 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -80.9 | 81 | 168.1 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | W688 V692 | W688-V690 PolarHBondContact O-N 3.38Å; V690-V692 PolarHBondContact O-N 3.25Å | ||
| 691 | T | 28.2 | Very low | 30.1 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -70.4 | 114.9 | 168.7 | 5.8 | 0 | 0 | 0 | 0 | 109.1 | A689 V693 | A689-T691 VanDerWaalsContact C-N 3.28Å; A689-T691 PolarHBondContact O-N 3.48Å; A689-T691 VanDerWaalsContact O-N 3.07Å; T691-V693 PolarHBondContact O-N 3.24Å | ||
| 692 | V | 27.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 110.7 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 108 | V690 | V690-V692 PolarHBondContact O-N 3.25Š| ||
| 693 | V | 28.8 | Very low | 30.7 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | trans | -112.2 | 126.4 | 174.6 | -179 | 0 | 0 | 0 | 0 | 108.2 | T691 | T691-V693 PolarHBondContact O-N 3.24Š| ||
| 694 | S | 26.2 | Very low | 30.2 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -76.7 | 145.2 | 176.6 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | E696 | S694-E696 PolarHBondContact O-N 2.95Š| ||
| 695 | P | 34.2 | Very low | 30.2 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -96.9 | 61.6 | -165.5 | 39.2 | -38.2 | 0 | 0 | 0 | 114.3 | ||
| 696 | E | 36.1 | Very low | 30.3 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -130.6 | 169.8 | 161.7 | -66.5 | -169.5 | 167.8 | 0 | 0 | 109.2 | S694 | S694-E696 PolarHBondContact O-N 2.95Š| ||
| 697 | D | 33.7 | Very low | 31.2 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 68.3 | 58.4 | -174.8 | -61.2 | -22.8 | 0 | 0 | 0 | 118 | ||||
| 698 | L | 33.3 | Very low | 32.1 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -130 | 78.2 | 156.3 | -85.3 | -179.5 | 0 | 0 | 0 | 111.9 | ||||
| 699 | A | 32.8 | Very low | 32.2 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -150 | 53.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 700 | S | 33.1 | Very low | 32.5 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -150.6 | 107.7 | 162.2 | -91.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 701 | V | 29 | Very low | 32.8 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -52.9 | 158.2 | 162.3 | 160 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 702 | P | 41.2 | Very low | 33.1 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | cis | -131.7 | 172.4 | 20 | 20.7 | 5 | 0 | 0 | 0 | 118.3 | ||||
| 703 | C | 29.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -74.5 | 157.8 | 160.8 | -43 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 704 | L | 29.7 | Very low | 33.3 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -163.9 | 139.2 | 145.3 | -105.7 | 168.5 | 0 | 0 | 0 | 111.7 | ||||
| 705 | L | 30.6 | Very low | 33.5 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | 63.8 | 122.2 | 159.6 | -64.4 | 160.8 | 0 | 0 | 0 | 121 | ||||
| 706 | S | 29.2 | Very low | 33.3 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -110.4 | -161 | 155.9 | -38.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 707 | P | 46.3 | Very low | 33 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | cis | -104.1 | -144.3 | -48.1 | 42.9 | -29.4 | 0 | 0 | 0 | 107.2 | ||||
| 708 | P | 45.3 | Very low | 33 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | cis | -121.6 | -165.5 | -23 | 41.3 | -25.2 | 0 | 0 | 0 | 112.4 | ||||
| 709 | G | 29.5 | Very low | 33.3 | Very low | 76 Ų | 76 | 142 Ų | 142 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | 171.8 | 60.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 710 | L | 33.6 | Very low | 33.3 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 74% | 0.738 | 84% | 0.838 | S | S | * | * | trans | -6 | 121.7 | 168.1 | -67.8 | 169.3 | 0 | 0 | 0 | 116.6 | ||||
| 711 | E | 29.7 | Very low | 33.3 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | 66.7 | 139.7 | 89 | -72 | -176.6 | -168.1 | 0 | 0 | 114.1 | |||||
| 712 | T | 34.8 | Very low | 33.5 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 76% | 0.761 | 84% | 0.835 | S | S | * | * | cis | -153.2 | 174.6 | 14.7 | -3.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 713 | A | 32.6 | Very low | 33.1 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 84% | 0.839 | S | S | * | * | trans | 51.5 | 120.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 714 | W | 28.7 | Very low | 33.3 | Very low | 248 Ų | 248 | 148.8 Ų | 148.8 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | cis | 60.4 | 121.8 | 18.9 | -81 | 77.1 | 0 | 0 | 0 | 116.7 | ||||
| 715 | K | 29.7 | Very low | 33.5 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | 73.6 | 139.2 | -169.4 | -50.8 | 173.2 | -176.9 | 175.3 | 0 | 112.6 | ||||
| 716 | T | 31.5 | Very low | 33.7 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | cis | -126.2 | 151 | 8.8 | 43 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 717 | C | 28.1 | Very low | 34.1 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 93% | 0.926 | 85% | 0.849 | S | S | * | * | trans | -147.2 | 81.7 | 160.6 | -87.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 718 | L | 35 | Very low | 33 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | trans | -159.8 | 70.6 | 176.1 | -134 | 175.1 | 0 | 0 | 0 | 110.3 | ||||
| 719 | D | 38.1 | Very low | 31.9 | Very low | 245 Ų | 245 | 155.7 Ų | 155.7 | 100% | 1.31 | 86% | 0.859 | S | S | * | * | trans | -147.3 | 0 | 160.1 | -83.4 | -50.8 | 0 | 0 | 0 | 106.7 |
Retrieved 719 of 719 residues in 103.2 ms
(Link to these results)