| 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 | 35.4 | Very low | 32.4 | Very low | 252 Ų | 252 | 122.6 Ų | 122.6 | 100% | 1.241 | 81% | 0.813 | S | S | * | * | 0 | 132.5 | 0 | -62.5 | 168.2 | 178.3 | 0 | 0 | 107.1 | |||||
| 2 | A | 34 | Very low | 32 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | cis | -145.4 | 173.2 | -12.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | A | 30.8 | Very low | 31.6 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -129.6 | 155 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | A | 34.3 | Very low | 31.4 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | 53.1 | 119.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 5 | A | 32.4 | Very low | 31.1 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -154.7 | 146.3 | 138.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 6 | A | 35.3 | Very low | 31.3 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | cis | 68.6 | 133.1 | 34.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 7 | D | 32 | Very low | 32.5 | Very low | 158 Ų | 158 | 123 Ų | 123 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | cis | -153 | -156.1 | -1.9 | -146.9 | -57.6 | 0 | 0 | 0 | 110.2 | ||||
| 8 | A | 29.8 | Very low | 32.5 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | -65.1 | -176.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 9 | S | 31.8 | Very low | 32.7 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | cis | -163.1 | -179.4 | 12.1 | -152.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 10 | H | 32.9 | Very low | 32.7 | Very low | 171 Ų | 171 | 129 Ų | 129 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | 25.2 | 135.6 | 156.7 | -53.5 | -33.8 | 0 | 0 | 0 | 123.6 | ||||
| 11 | C | 27.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | 178.5 | 129.7 | 121.5 | -96.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 12 | I | 27.7 | Very low | 33 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | 86.7 | 99.7 | 69.7 | -71.2 | 177.6 | 0 | 0 | 0 | 114.1 | |||||
| 13 | T | 27.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 67.2 | 107.9 | 133.5 | -52.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 14 | A | 28.4 | Very low | 33.1 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | trans | 58.6 | 141 | 136.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 15 | L | 26.3 | Very low | 32.9 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | -156.6 | 163.4 | 112 | -101.6 | 168.1 | 0 | 0 | 0 | 110.6 | |||||
| 16 | T | 35.4 | Very low | 32.8 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | trans | -117.8 | -168.2 | -172.5 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 17 | P | 50.7 | Low | 32.7 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | -128.5 | -157.5 | -1.9 | 30.4 | -3.7 | 0 | 0 | 0 | 111.5 | ||||
| 18 | E | 32.9 | Very low | 32.6 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | cis | -130 | -152.6 | 7.6 | -72.5 | -69.1 | 3.1 | 0 | 0 | 108.8 | ||||
| 19 | E | 36.4 | Very low | 32.5 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | cis | -154.1 | -119.8 | 4 | -156 | 179.5 | -160.2 | 0 | 0 | 112.7 | ||||
| 20 | E | 32.3 | Very low | 32.3 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | trans | -80.1 | 158.1 | -174.1 | -62.1 | -159.8 | 102.1 | 0 | 0 | 113.7 | ||||
| 21 | G | 36.9 | Very low | 32.4 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | 127 | 139.9 | 8.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 22 | R | 38.6 | Very low | 32.4 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | cis | -163.1 | 151.2 | 11.1 | -90.8 | 176.3 | 179.8 | 157.8 | 4.6 | 111.4 | ||||
| 23 | R | 34.6 | Very low | 32.8 | Very low | 207 Ų | 207 | 133.3 Ų | 133.3 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 68.6 | 146.4 | 148.7 | -65.6 | 165.8 | -175.6 | 178.4 | 0.7 | 118.3 | ||||
| 24 | T | 30.5 | Very low | 33.2 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | cis | -157.8 | 154.9 | -6.5 | 6.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 25 | A | 30.5 | Very low | 33.3 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 2.6 | 157 | 138.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 26 | A | 29.8 | Very low | 34.3 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | cis | -169.9 | 173.6 | -12.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 27 | K | 34.3 | Very low | 34.2 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 135.1 | 175.4 | -179 | -175.8 | -172.4 | 176.3 | 0 | 114.6 | ||||
| 28 | L | 29.3 | Very low | 33.5 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | trans | 165.5 | 156.1 | 132.2 | -91.7 | 165.5 | 0 | 0 | 0 | 115.5 | ||||
| 29 | F | 29.2 | Very low | 33.5 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | trans | 61.4 | 150.8 | 162.8 | -70.5 | -67.1 | 0 | 0 | 0 | 122 | ||||
| 30 | G | 27.2 | Very low | 33.4 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 130.8 | 99.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 31 | S | 34 | Very low | 33.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -97.4 | 132.6 | 163.5 | -61 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 32 | A | 27.2 | Very low | 33.7 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -154.3 | 142.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 33 | A | 37.2 | Very low | 33.4 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -102.4 | 148.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 34 | P | 34.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -101 | 122.3 | 172.6 | 11.9 | 8.1 | 0 | 0 | 0 | 112.8 | ||||
| 35 | L | 31.5 | Very low | 33.4 | Very low | 165 Ų | 165 | 146 Ų | 146 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -142.7 | 163.9 | 158.9 | -71.3 | 179 | 0 | 0 | 0 | 107.3 | ||||
| 36 | P | 46.4 | Very low | 33.7 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | cis | -129.4 | 174.3 | -47 | 38.2 | -25.3 | 0 | 0 | 0 | 110.8 | ||||
| 37 | R | 34.4 | Very low | 34 | Very low | 237 Ų | 237 | 156.2 Ų | 156.2 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -140.5 | 98.8 | 160.8 | -86.9 | -162.2 | 169.8 | 173.5 | -2.9 | 114.1 | ||||
| 38 | T | 35.5 | Very low | 34 | Very low | 135 Ų | 135 | 157.6 Ų | 157.6 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | trans | 52.8 | 135.3 | 133.6 | 55.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 39 | E | 33 | Very low | 34.8 | Very low | 178 Ų | 178 | 159 Ų | 159 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -92.8 | -171.9 | -175.3 | -50.2 | 159.6 | 96.4 | 0 | 0 | 113.9 | ||||
| 40 | R | 35.3 | Very low | 35.4 | Very low | 215 Ų | 215 | 158.4 Ų | 158.4 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | 82.2 | 136 | 165.8 | -64.5 | -164 | 176.2 | -178.5 | -1 | 116.8 | ||||
| 41 | E | 36.8 | Very low | 35.9 | Very low | 124 Ų | 124 | 164.8 Ų | 164.8 | 58% | 0.579 | 83% | 0.826 | S | S | * | * | cis | -144.2 | 143.5 | -3.6 | -110.9 | -176.4 | 134.6 | 0 | 0 | 107.7 | ||||
| 42 | R | 37.3 | Very low | 35.9 | Very low | 197 Ų | 197 | 161.8 Ų | 161.8 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | 70.9 | 140.4 | 74.8 | -161 | -162.3 | 177.5 | 170.3 | 5.5 | 111.8 | |||||
| 43 | D | 33.5 | Very low | 36.8 | Very low | 122 Ų | 122 | 165.8 Ų | 165.8 | 65% | 0.652 | 82% | 0.817 | S | S | * | * | cis | -147.1 | 133.9 | 15.2 | -149.1 | -58.1 | 0 | 0 | 0 | 111.8 | ||||
| 44 | R | 32.6 | Very low | 37 | Very low | 250 Ų | 250 | 171.6 Ų | 171.6 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | trans | -177.8 | 137.3 | 138.1 | -122.7 | 177.5 | 162 | 148.5 | -4.3 | 113 | ||||
| 45 | G | 32.1 | Very low | 37.6 | Very low | 76 Ų | 76 | 172.3 Ų | 172.3 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | 99.7 | 87.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 46 | K | 37.5 | Very low | 38.4 | Very low | 210 Ų | 210 | 167.9 Ų | 167.9 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -126.4 | 64.8 | 172.5 | -165.8 | -157.1 | 171.4 | -176.9 | 0 | 112 | ||||
| 47 | E | 35.3 | Very low | 38.4 | Very low | 192 Ų | 192 | 174 Ų | 174 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | trans | -144.9 | 135.7 | 165.5 | -65.4 | -175.9 | -163.9 | 0 | 0 | 107.2 | ||||
| 48 | R | 34.6 | Very low | 39 | Very low | 223 Ų | 223 | 167.6 Ų | 167.6 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | cis | -154.3 | 165.9 | -15.3 | -173.1 | 170.4 | 175.7 | -175.8 | -3.3 | 107.5 | ||||
| 49 | E | 45.7 | Very low | 39.9 | Very low | 167 Ų | 167 | 166.1 Ų | 166.1 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | trans | -59.4 | 144.8 | -175.7 | -56.8 | 109.3 | 147.4 | 0 | 0 | 114.5 | ||||
| 50 | E | 42.4 | Very low | 41 | Very low | 190 Ų | 190 | 160.2 Ų | 160.2 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | 140.6 | 43.2 | 154.8 | -74.8 | -149.2 | 134 | 0 | 0 | 117.1 | ||||
| 51 | E | 36.8 | Very low | 42.6 | Very low | 211 Ų | 211 | 152 Ų | 152 | 99% | 0.986 | 78% | 0.781 | S | S | * | * | trans | -126.9 | 80.8 | 157.2 | -74.8 | -151 | 136.6 | 0 | 0 | 112.5 | ||||
| 52 | G | 35.1 | Very low | 44.5 | Very low | 69 Ų | 69 | 150.8 Ų | 150.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -134.3 | 143.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 53 | E | 46.3 | Very low | 46.5 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | trans | 41.8 | 88.9 | 167.7 | -68.7 | -170.5 | 78.4 | 0 | 0 | 119.1 | ||||
| 54 | K | 39.9 | Very low | 48.6 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 95% | 0.952 | 75% | 0.75 | S | S | * | * | trans | -127.9 | 43.1 | 147.4 | -73.7 | -172.2 | 179.8 | 156.2 | 0 | 113.9 | ||||
| 55 | V | 48.3 | Very low | 50.7 | Low | 141 Ų | 141 | 135.9 Ų | 135.9 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -99.8 | 130.7 | 159.9 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 56 | G | 48.7 | Very low | 52.9 | Low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 90.2 | 47.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 57 | R | 45.7 | Very low | 54.9 | Low | 237 Ų | 237 | 128.1 Ų | 128.1 | 89% | 0.894 | 70% | 0.7 | S | S | * | * | trans | -141.4 | 44.7 | 155.4 | -132.8 | 170.8 | -167.7 | 167.5 | 4.7 | 116.9 | S59 | R57-S59 PolarHBondContact O-N 3.22Å; R57-S59 VanDerWaalsContact O-N 3.08Å | ||
| 58 | A | 46.3 | Very low | 57 | Low | 103 Ų | 103 | 120.4 Ų | 120.4 | 85% | 0.851 | 67% | 0.669 | S | S | * | * | trans | -72.4 | 91.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G60 | A58-G60 PolarHBondContact O-N 3.05Å; A58-G60 VanDerWaalsContact O-N 3.1Å | ||
| 59 | S | 54.3 | Low | 59.3 | Low | 104 Ų | 104 | 116.1 Ų | 116.1 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | -55.1 | 116.7 | 171.4 | -66 | 0 | 0 | 0 | 0 | 109.5 | R57 N61 | R57-S59 PolarHBondContact O-N 3.22Å; R57-S59 VanDerWaalsContact O-N 3.08Å; S59-N61 PolarHBondContact O-N 3.41Å | ||
| 60 | G | 56.3 | Low | 60.9 | Low | 55 Ų | 55 | 110.7 Ų | 110.7 | 57% | 0.567 | 64% | 0.636 | S | S | * | * | trans | -63.3 | 127.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A58 E62 | A58-G60 PolarHBondContact O-N 3.05Å; A58-G60 VanDerWaalsContact O-N 3.1Å; G60-E62 PolarHBondContact O-N 2.96Å | ||
| 61 | N | 68.1 | Low | 62.7 | Low | 41 Ų | 41 | 107.8 Ų | 107.8 | 22% | 0.219 | 63% | 0.631 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 61.7 | 162.6 | -44.4 | -89.7 | 0 | 0 | 0 | 108.7 | S59 F70 Q73 L76 | S59-N61 PolarHBondContact O-N 3.41Å; N61-F70 HydrophobicContact CB-CB 4.13Å; N61-F70 WeakPolarHBondContact CB-O 3.49Å; N61-F70 PolarHBondContact ND2-O 2.73Å; N61-F70 WeakPolarHBondContact O-CB 3.32Å; N61-F70 WeakPolarHBondContact O-CD2 3.4Å; N61-F70 PolarHBondContact O-N 3.2Å; N61-Q73 VanDerWaalsContact OD1-CA 3.27Å; N61-Q73 WeakPolarHBondContact OD1-CA 3.37Å; N61-Q73 WeakPolarHBondContact OD1-CB 3.28Å; N61-Q73 PolarHBondContact OD1-N 3.17Å; N61-L76 HydrophobicContact CB-CB 4.05Å; N61-L76 HydrophobicContact CB-CD2 3.95Å |
| 62 | E | 77.4 | Confident | 64.9 | Low | 99 Ų | 99 | 100.3 Ų | 100.3 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 146.3 | 179 | 71.1 | -177 | 179.4 | 0 | 0 | 111.8 | G60 L64 A68 L69 L76 | G60-E62 PolarHBondContact O-N 2.96Å; E62-L64 HydrophobicContact CG-CD2 4.41Å; E62-L64 PolarHBondContact O-N 3.13Å; E62-A68 CarbonylContact C-O 3.54Å; E62-A68 WeakPolarHBondContact CA-O 3.33Å; E62-L69 HydrophobicContact CB-CD2 3.56Å; E62-L76 WeakPolarHBondContact O-CD1 3.5Å |
| 63 | C | 79.1 | Confident | 67.1 | Low | 1 Ų | 1 | 102.7 Ų | 102.7 | 1% | 0.007 | 59% | 0.592 | C | S | . | * | trans | -86.8 | 108.2 | 173 | -168.8 | 0 | 0 | 0 | 0 | 111 | V65 C66 G67 A68 F70 L76 H79 H83 | C63-V65 PolarHBondContact O-N 3.34Å; C63-C66 PolarHBondContact O-N 3.3Å; C63-G67 PolarHBondContact O-N 3.44Å; C63-A68 HydrophobicContact CB-CB 4.32Å; C63-A68 PolarHBondContact N-O 3.46Å; C63-F70 HydrophobicContact CB-CE2 4.29Å; C63-L76 HydrophobicContact CB-CD1 3.81Å; C63-H79 PolarHBondContact SG-CD2 3.34Å; C63-H79 PolarHBondContact SG-NE2 3.47Å; C63-H83 VanDerWaalsContact SG-CD2 3.56Å | ||
| 64 | L | 77.6 | Confident | 68.5 | Low | 163 Ų | 163 | 100 Ų | 100 | 85% | 0.853 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -12.4 | 175.6 | -54.7 | 178.6 | 0 | 0 | 0 | 114.7 | E62 | E62-L64 HydrophobicContact CG-CD2 4.41Å; E62-L64 PolarHBondContact O-N 3.13Å |
| 65 | V | 76.6 | Confident | 70.1 | Confident | 93 Ų | 93 | 94.8 Ų | 94.8 | 56% | 0.564 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -20.4 | 178.4 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | C63 H83 | C63-V65 PolarHBondContact O-N 3.34Å; V65-H83 HydrophobicContact CG1-CB 4.11Å; V65-H83 HydrophobicContact CG2-CB 4.42Å |
| 66 | C | 79.6 | Confident | 71.6 | Confident | 69 Ų | 69 | 89.4 Ų | 89.4 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -155.3 | 14.8 | -176.4 | 75.2 | 0 | 0 | 0 | 0 | 116.5 | C63 A68 H79 | C63-C66 PolarHBondContact O-N 3.3Å; C66-A68 PolarHBondContact O-N 3.48Å; C66-A68 VanDerWaalsContact O-N 3.08Å; C66-H79 PolarHBondContact SG-NE2 2.89Å |
| 67 | G | 78.3 | Confident | 72.8 | Confident | 53 Ų | 53 | 94.2 Ų | 94.2 | 55% | 0.546 | 52% | 0.519 | S | S | . | . | trans | 67 | 5.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | C63 L69 | C63-G67 PolarHBondContact O-N 3.44Å; G67-L69 PolarHBondContact O-N 2.75Å | ||
| 68 | A | 78.8 | Confident | 74.2 | Confident | 31 Ų | 31 | 85.1 Ų | 85.1 | 26% | 0.256 | 49% | 0.488 | S | S | . | . | trans | -71.2 | 118.7 | -175 | 0 | 0 | 0 | 0 | 0 | 111.4 | E62 C63 C66 F70 | E62-A68 CarbonylContact C-O 3.54Å; E62-A68 WeakPolarHBondContact CA-O 3.33Å; C63-A68 HydrophobicContact CB-CB 4.32Å; C63-A68 PolarHBondContact N-O 3.46Å; C66-A68 PolarHBondContact O-N 3.48Å; C66-A68 VanDerWaalsContact O-N 3.08Å; A68-F70 HydrophobicContact CB-CE2 3.67Å; A68-F70 HydrophobicContact CB-CZ 3.91Å; A68-F70 VanDerWaalsContact O-CD2 3.24Å; A68-F70 WeakPolarHBondContact O-CD2 3.42Å; A68-F70 VanDerWaalsContact O-CE2 3.23Å; A68-F70 WeakPolarHBondContact O-CE2 3.26Å | ||
| 69 | L | 83.3 | Confident | 75.6 | Confident | 132 Ų | 132 | 82.1 Ų | 82.1 | 69% | 0.691 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.7 | 177.8 | -56.5 | -176.8 | 0 | 0 | 0 | 111.5 | E62 G67 | E62-L69 HydrophobicContact CB-CD2 3.56Å; G67-L69 PolarHBondContact O-N 2.75Å |
| 70 | F | 80.6 | Confident | 76.5 | Confident | 53 Ų | 53 | 79.4 Ų | 79.4 | 23% | 0.232 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.9 | 175.9 | -63.5 | -83.8 | 0 | 0 | 0 | 112.7 | N61 C63 A68 T72 K75 L76 H79 | N61-F70 HydrophobicContact CB-CB 4.13Å; N61-F70 WeakPolarHBondContact CB-O 3.49Å; N61-F70 PolarHBondContact ND2-O 2.73Å; N61-F70 WeakPolarHBondContact O-CB 3.32Å; N61-F70 WeakPolarHBondContact O-CD2 3.4Å; N61-F70 PolarHBondContact O-N 3.2Å; C63-F70 HydrophobicContact CB-CE2 4.29Å; A68-F70 HydrophobicContact CB-CE2 3.67Å; A68-F70 HydrophobicContact CB-CZ 3.91Å; A68-F70 VanDerWaalsContact O-CD2 3.24Å; A68-F70 WeakPolarHBondContact O-CD2 3.42Å; A68-F70 VanDerWaalsContact O-CE2 3.23Å; A68-F70 WeakPolarHBondContact O-CE2 3.26Å; F70-T72 VanDerWaalsContact C-N 3.29Å; F70-T72 PolarHBondContact O-N 2.87Å; F70-K75 HydrophobicContact CB-CB 4.2Å; F70-K75 HydrophobicContact CD1-CB 3.89Å; F70-K75 HydrophobicContact CG-CB 4.31Å; F70-L76 HydrophobicContact CB-CB 4.24Å; F70-L76 HydrophobicContact CD2-CB 4.03Å; F70-L76 HydrophobicContact CD2-CD1 3.89Å; F70-L76 HydrophobicContact CE2-CD1 4.22Å; F70-L76 HydrophobicContact CG-CB 4.32Å; F70-H79 HydrophobicContact CE1-CB 4.12Å; F70-H79 HydrophobicContact CE2-CB 3.9Å; F70-H79 AromaticContact CE2-CD2 3.44Å; F70-H79 VanDerWaalsContact CE2-CD2 3.44Å; F70-H79 WeakPolarHBondContact CE2-CD2 3.42Å; F70-H79 AromaticContact CE2-CG 3.64Å; F70-H79 HydrophobicContact CZ-CB 3.53Å; F70-H79 AromaticContact CZ-CD2 3.59Å; F70-H79 AromaticContact CZ-CG 3.31Å; F70-H79 AromaticContact CZ-ND1 3.73Å |
| 71 | V | 79.9 | Confident | 77.1 | Confident | 130 Ų | 130 | 77.5 Ų | 77.5 | 79% | 0.788 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -71.5 | -23 | 177.1 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 72 | T | 82.1 | Confident | 77.2 | Confident | 53 Ų | 53 | 78.9 Ų | 78.9 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -140 | 148 | 178.4 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | F70 E74 K75 L76 | F70-T72 VanDerWaalsContact C-N 3.29Å; F70-T72 PolarHBondContact O-N 2.87Å; T72-E74 PolarHBondContact O-N 3.46Å; T72-K75 PolarHBondContact O-N 2.91Å; T72-K75 VanDerWaalsContact O-N 3.09Å; T72-K75 WeakPolarHBondContact OG1-CD 3.37Å; T72-K75 WeakPolarHBondContact OG1-CG 3.49Å; T72-K75 PolarHBondContact OG1-N 3.46Å; T72-L76 PolarHBondContact O-N 3.37Å; T72-L76 VanDerWaalsContact O-N 3.12Å |
| 73 | Q | 81.2 | Confident | 76.8 | Confident | 120 Ų | 120 | 77.9 Ų | 77.9 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.9 | -30.5 | 179.3 | -158.5 | -168.6 | 47.3 | 0 | 0 | 112.8 | N61 L76 R77 | N61-Q73 VanDerWaalsContact OD1-CA 3.27Å; N61-Q73 WeakPolarHBondContact OD1-CA 3.37Å; N61-Q73 WeakPolarHBondContact OD1-CB 3.28Å; N61-Q73 PolarHBondContact OD1-N 3.17Å; Q73-L76 PolarHBondContact O-N 2.81Å; Q73-R77 PolarHBondContact O-N 3.44Å |
| 74 | E | 76.3 | Confident | 76.1 | Confident | 132 Ų | 132 | 81.6 Ų | 81.6 | 62% | 0.617 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64 | -46 | 172.9 | -165.9 | -156.8 | 176.6 | 0 | 0 | 111.1 | T72 L76 R77 L78 | T72-E74 PolarHBondContact O-N 3.46Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.98Å; E74-R77 PolarHBondContact O-N 3.24Å; E74-R77 VanDerWaalsContact O-N 3.14Å; E74-L78 HydrophobicContact CG-CD1 4.18Å; E74-L78 HydrophobicContact CG-CG 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.23Å; E74-L78 VanDerWaalsContact O-CG 3.26Å; E74-L78 WeakPolarHBondContact O-CG 3.4Å; E74-L78 PolarHBondContact O-N 2.85Å |
| 75 | K | 74.1 | Confident | 75.5 | Confident | 109 Ų | 109 | 75.4 Ų | 75.4 | 47% | 0.474 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 177.5 | -70.8 | 168 | -172.9 | 165.9 | 0 | 111.1 | F70 T72 L78 H79 | F70-K75 HydrophobicContact CB-CB 4.2Å; F70-K75 HydrophobicContact CD1-CB 3.89Å; F70-K75 HydrophobicContact CG-CB 4.31Å; T72-K75 PolarHBondContact O-N 2.91Å; T72-K75 VanDerWaalsContact O-N 3.09Å; T72-K75 WeakPolarHBondContact OG1-CD 3.37Å; T72-K75 WeakPolarHBondContact OG1-CG 3.49Å; T72-K75 PolarHBondContact OG1-N 3.46Å; K75-L78 PolarHBondContact O-N 3.45Å; K75-H79 WeakPolarHBondContact O-CB 3.33Å; K75-H79 PolarHBondContact O-N 3.09Å; K75-H79 VanDerWaalsContact O-N 3.11Å |
| 76 | L | 79.3 | Confident | 74.9 | Confident | 27 Ų | 27 | 76.7 Ų | 76.7 | 14% | 0.141 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.8 | -53 | 169.9 | 173.7 | 61.4 | 0 | 0 | 0 | 111.4 | N61 E62 C63 F70 T72 Q73 E74 L78 H79 T80 | N61-L76 HydrophobicContact CB-CB 4.05Å; N61-L76 HydrophobicContact CB-CD2 3.95Å; E62-L76 WeakPolarHBondContact O-CD1 3.5Å; C63-L76 HydrophobicContact CB-CD1 3.81Å; F70-L76 HydrophobicContact CB-CB 4.24Å; F70-L76 HydrophobicContact CD2-CB 4.03Å; F70-L76 HydrophobicContact CD2-CD1 3.89Å; F70-L76 HydrophobicContact CE2-CD1 4.22Å; F70-L76 HydrophobicContact CG-CB 4.32Å; T72-L76 PolarHBondContact O-N 3.37Å; T72-L76 VanDerWaalsContact O-N 3.12Å; Q73-L76 PolarHBondContact O-N 2.81Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.98Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.41Å; L76-H79 CarbonylContact O-C 3.57Å; L76-H79 WeakPolarHBondContact O-CA 3.5Å; L76-H79 WeakPolarHBondContact O-CB 3.34Å; L76-H79 PolarHBondContact O-N 3.03Å; L76-T80 PolarHBondContact O-N 3.03Å; L76-T80 PolarHBondContact O-OG1 3.38Å; L76-T80 VanDerWaalsContact O-OG1 3.13Å |
| 77 | R | 74.9 | Confident | 74.5 | Confident | 173 Ų | 173 | 78.5 Ų | 78.5 | 65% | 0.653 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.1 | -38.6 | 178.4 | -76.3 | 179.5 | 127.9 | 140.5 | -2.8 | 113 | Q73 E74 H79 S81 | Q73-R77 PolarHBondContact O-N 3.44Å; E74-R77 PolarHBondContact O-N 3.24Å; E74-R77 VanDerWaalsContact O-N 3.14Å; R77-H79 PolarHBondContact O-N 3.34Å; R77-S81 WeakPolarHBondContact O-CB 3.41Å; R77-S81 PolarHBondContact O-N 2.82Å; R77-S81 PolarHBondContact O-OG 3.22Å |
| 78 | L | 74.2 | Confident | 74.3 | Confident | 46 Ų | 46 | 80 Ų | 80 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.5 | -17.3 | 174.8 | -68.3 | 177.9 | 0 | 0 | 0 | 113.8 | E74 K75 L76 S81 S101 | E74-L78 HydrophobicContact CG-CD1 4.18Å; E74-L78 HydrophobicContact CG-CG 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.23Å; E74-L78 VanDerWaalsContact O-CG 3.26Å; E74-L78 WeakPolarHBondContact O-CG 3.4Å; E74-L78 PolarHBondContact O-N 2.85Å; K75-L78 PolarHBondContact O-N 3.45Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.41Å; L78-S81 WeakPolarHBondContact CA-OG 3.45Å; L78-S81 PolarHBondContact O-OG 3.45Å; L78-S101 WeakPolarHBondContact CD2-O 3.43Å |
| 79 | H | 75.8 | Confident | 74.1 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 19% | 0.19 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -95.2 | -43.5 | 173.5 | 170.9 | 79.1 | 0 | 0 | 0 | 112.3 | C63 C66 F70 K75 L76 R77 S81 S82 H83 | C63-H79 PolarHBondContact SG-CD2 3.34Å; C63-H79 PolarHBondContact SG-NE2 3.47Å; C66-H79 PolarHBondContact SG-NE2 2.89Å; F70-H79 HydrophobicContact CE1-CB 4.12Å; F70-H79 HydrophobicContact CE2-CB 3.9Å; F70-H79 AromaticContact CE2-CD2 3.44Å; F70-H79 VanDerWaalsContact CE2-CD2 3.44Å; F70-H79 WeakPolarHBondContact CE2-CD2 3.42Å; F70-H79 AromaticContact CE2-CG 3.64Å; F70-H79 HydrophobicContact CZ-CB 3.53Å; F70-H79 AromaticContact CZ-CD2 3.59Å; F70-H79 AromaticContact CZ-CG 3.31Å; F70-H79 AromaticContact CZ-ND1 3.73Å; K75-H79 WeakPolarHBondContact O-CB 3.33Å; K75-H79 PolarHBondContact O-N 3.09Å; K75-H79 VanDerWaalsContact O-N 3.11Å; L76-H79 CarbonylContact O-C 3.57Å; L76-H79 WeakPolarHBondContact O-CA 3.5Å; L76-H79 WeakPolarHBondContact O-CB 3.34Å; L76-H79 PolarHBondContact O-N 3.03Å; R77-H79 PolarHBondContact O-N 3.34Å; H79-S81 VanDerWaalsContact C-N 3.27Å; H79-S81 PolarHBondContact O-N 3.02Å; H79-S82 WeakPolarHBondContact O-CA 3.35Å; H79-S82 VanDerWaalsContact O-CB 3.29Å; H79-S82 WeakPolarHBondContact O-CB 3.06Å; H79-S82 PolarHBondContact O-N 3.34Å; H79-S82 PolarHBondContact O-OG 3.45Å; H79-H83 AromaticContact CD2-NE2 3.81Å; H79-H83 AromaticContact CE1-NE2 3.49Å; H79-H83 PolarHBondContact CE1-NE2 3.35Å; H79-H83 AromaticContact NE2-CD2 3.83Å; H79-H83 AromaticContact NE2-CE1 3.97Å; H79-H83 AromaticContact NE2-NE2 3.02Å; H79-H83 PolarHBondContact NE2-NE2 3.14Å |
| 80 | T | 72.9 | Confident | 73.9 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 28% | 0.282 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 174.9 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | L76 S82 H83 T84 | L76-T80 PolarHBondContact O-N 3.03Å; L76-T80 PolarHBondContact O-OG1 3.38Å; L76-T80 VanDerWaalsContact O-OG1 3.13Å; T80-S82 PolarHBondContact O-N 3.28Å; T80-S82 VanDerWaalsContact O-N 3.12Å; T80-H83 WeakPolarHBondContact O-CB 3.49Å; T80-H83 PolarHBondContact O-N 3.1Å; T80-T84 PolarHBondContact O-N 3.15Å |
| 81 | S | 69.5 | Low | 74 | Confident | 15 Ų | 15 | 80 Ų | 80 | 11% | 0.105 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65 | -7.9 | 170.2 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | R77 L78 H79 T84 G85 E86 | R77-S81 WeakPolarHBondContact O-CB 3.41Å; R77-S81 PolarHBondContact O-N 2.82Å; R77-S81 PolarHBondContact O-OG 3.22Å; L78-S81 WeakPolarHBondContact CA-OG 3.45Å; L78-S81 PolarHBondContact O-OG 3.45Å; H79-S81 VanDerWaalsContact C-N 3.27Å; H79-S81 PolarHBondContact O-N 3.02Å; S81-T84 WeakPolarHBondContact CA-OG1 3.28Å; S81-G85 PolarHBondContact O-N 3.31Å; S81-E86 PolarHBondContact O-N 3.06Å |
| 82 | S | 68.8 | Low | 73.9 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 49% | 0.49 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -86.9 | -21.8 | 167.4 | 77.3 | 0 | 0 | 0 | 0 | 113.5 | H79 T80 | H79-S82 WeakPolarHBondContact O-CA 3.35Å; H79-S82 VanDerWaalsContact O-CB 3.29Å; H79-S82 WeakPolarHBondContact O-CB 3.06Å; H79-S82 PolarHBondContact O-N 3.34Å; H79-S82 PolarHBondContact O-OG 3.45Å; T80-S82 PolarHBondContact O-N 3.28Å; T80-S82 VanDerWaalsContact O-N 3.12Å |
| 83 | H | 69.5 | Low | 73.4 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 37% | 0.366 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -84.4 | -48 | 172.2 | -61.3 | -58.8 | 0 | 0 | 0 | 111.8 | C63 V65 H79 T80 G85 | C63-H83 VanDerWaalsContact SG-CD2 3.56Å; V65-H83 HydrophobicContact CG1-CB 4.11Å; V65-H83 HydrophobicContact CG2-CB 4.42Å; H79-H83 AromaticContact CD2-NE2 3.81Å; H79-H83 AromaticContact CE1-NE2 3.49Å; H79-H83 PolarHBondContact CE1-NE2 3.35Å; H79-H83 AromaticContact NE2-CD2 3.83Å; H79-H83 AromaticContact NE2-CE1 3.97Å; H79-H83 AromaticContact NE2-NE2 3.02Å; H79-H83 PolarHBondContact NE2-NE2 3.14Å; T80-H83 WeakPolarHBondContact O-CB 3.49Å; T80-H83 PolarHBondContact O-N 3.1Å; H83-G85 PolarHBondContact O-N 3.08Å |
| 84 | T | 65.1 | Low | 72.4 | Confident | 79 Ų | 79 | 78.9 Ų | 78.9 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -68.4 | -15 | 175.2 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | T80 S81 E86 | T80-T84 PolarHBondContact O-N 3.15Å; S81-T84 WeakPolarHBondContact CA-OG1 3.28Å; T84-E86 WeakPolarHBondContact CB-OE2 3.38Å; T84-E86 PolarHBondContact O-N 3.42Å; T84-E86 VanDerWaalsContact OG1-CD 3.27Å; T84-E86 VanDerWaalsContact OG1-CG 3.31Å; T84-E86 WeakPolarHBondContact OG1-CG 3.49Å; T84-E86 PolarHBondContact OG1-OE2 3.28Å |
| 85 | G | 63.7 | Low | 72 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 33% | 0.33 | 43% | 0.425 | S | S | . | . | trans | 72.3 | 2.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | S81 H83 K87 | S81-G85 PolarHBondContact O-N 3.31Å; H83-G85 PolarHBondContact O-N 3.08Å; G85-K87 WeakPolarHBondContact O-CG 3.28Å; G85-K87 PolarHBondContact O-NZ 2.83Å | ||
| 86 | E | 64.7 | Low | 72.1 | Confident | 120 Ų | 120 | 77.2 Ų | 77.2 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | trans | -61.3 | 139 | -178.9 | -69.8 | 168.1 | 136.3 | 0 | 0 | 112.3 | S81 T84 | S81-E86 PolarHBondContact O-N 3.06Å; T84-E86 WeakPolarHBondContact CB-OE2 3.38Å; T84-E86 PolarHBondContact O-N 3.42Å; T84-E86 VanDerWaalsContact OG1-CD 3.27Å; T84-E86 VanDerWaalsContact OG1-CG 3.31Å; T84-E86 WeakPolarHBondContact OG1-CG 3.49Å; T84-E86 PolarHBondContact OG1-OE2 3.28Å | ||
| 87 | K | 72.4 | Confident | 71.9 | Confident | 107 Ų | 107 | 82.4 Ų | 82.4 | 47% | 0.465 | 44% | 0.444 | S | S | . | . | trans | -137.2 | 76 | -174 | -70.1 | 164.9 | -173 | 88.2 | 0 | 110 | G85 F89 H90 A99 F100 | G85-K87 WeakPolarHBondContact O-CG 3.28Å; G85-K87 PolarHBondContact O-NZ 2.83Å; K87-F89 PolarHBondContact O-N 3.16Å; K87-H90 PolarHBondContact O-CE1 2.63Å; K87-A99 HydrophobicContact CB-CB 3.49Å; K87-A99 VanDerWaalsContact CB-CB 3.49Å; K87-A99 HydrophobicContact CD-CB 4.27Å; K87-A99 WeakPolarHBondContact CD-O 3.48Å; K87-A99 HydrophobicContact CG-CB 4.44Å; K87-A99 WeakPolarHBondContact O-CB 3.24Å; K87-F100 CarbonylContact C-O 3.57Å; K87-F100 WeakPolarHBondContact CA-O 3.28Å | ||
| 88 | P | 72.4 | Confident | 72 | Confident | 85 Ų | 85 | 79.5 Ų | 79.5 | 55% | 0.552 | 44% | 0.436 | S | S | * | . | trans | -60.7 | -31.5 | -176.3 | -24.3 | 35 | 0 | 0 | 0 | 113.3 | H90 | P88-H90 PolarHBondContact O-N 2.61Å; P88-H90 PolarHBondContact O-ND1 2.79Å | ||
| 89 | F | 75.4 | Confident | 72.2 | Confident | 71 Ų | 71 | 78.4 Ų | 78.4 | 31% | 0.311 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 91.1 | -169.7 | -57.4 | -82.5 | 0 | 0 | 0 | 111.3 | K87 A99 F100 S102 K103 L106 | K87-F89 PolarHBondContact O-N 3.16Å; F89-A99 CarbonylContact O-C 3.49Å; F89-A99 WeakPolarHBondContact O-CA 3.36Å; F89-F100 HydrophobicContact CB-CB 4.48Å; F89-F100 WeakPolarHBondContact CB-O 3.08Å; F89-F100 WeakPolarHBondContact CD2-O 3.46Å; F89-F100 PolarHBondContact N-O 3.15Å; F89-F100 PolarHBondContact O-N 2.88Å; F89-S102 VanDerWaalsContact CD2-CA 3.42Å; F89-S102 VanDerWaalsContact CD2-N 3.31Å; F89-K103 HydrophobicContact CD1-CB 3.93Å; F89-K103 HydrophobicContact CD1-CG 4.45Å; F89-K103 HydrophobicContact CE1-CB 3.72Å; F89-K103 HydrophobicContact CE1-CG 4.35Å; F89-K103 HydrophobicContact CZ-CB 4.2Å; F89-L106 HydrophobicContact CB-CB 3.93Å; F89-L106 HydrophobicContact CB-CD2 3.83Å; F89-L106 HydrophobicContact CB-CG 4.48Å |
| 90 | H | 78.6 | Confident | 72.4 | Confident | 127 Ų | 127 | 78.6 Ų | 78.6 | 59% | 0.588 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 148.4 | -178.4 | -70.2 | 74.9 | 0 | 0 | 0 | 112.9 | K87 P88 S92 L106 | K87-H90 PolarHBondContact O-CE1 2.63Å; P88-H90 PolarHBondContact O-N 2.61Å; P88-H90 PolarHBondContact O-ND1 2.79Å; H90-S92 PolarHBondContact O-N 3.09Å; H90-L106 WeakPolarHBondContact O-CD1 3.29Å; H90-L106 VanDerWaalsContact O-CD2 3.3Å; H90-L106 WeakPolarHBondContact O-CD2 3.35Å |
| 91 | C | 82.9 | Confident | 72.5 | Confident | 18 Ų | 18 | 77 Ų | 77 | 12% | 0.122 | 43% | 0.425 | C | S | . | . | trans | -74.6 | 120.1 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | Q93 C96 K98 L106 M110 H113 | C91-Q93 PolarHBondContact O-N 2.97Å; C91-C96 WeakPolarHBondContact CB-O 3.37Å; C91-C96 VanDerWaalsContact SG-CB 3.57Å; C91-K98 HydrophobicContact CB-CB 4.4Å; C91-K98 WeakPolarHBondContact CB-O 3.47Å; C91-K98 PolarHBondContact N-O 3.27Å; C91-L106 HydrophobicContact CB-CD1 4.45Å; C91-M110 HydrophobicContact CB-CE 4.03Å; C91-M110 WeakPolarHBondContact SG-CE 3.33Å; C91-H113 PolarHBondContact SG-NE2 3.42Å | ||
| 92 | S | 77.3 | Confident | 72.9 | Confident | 99 Ų | 99 | 77 Ų | 77 | 69% | 0.692 | 43% | 0.425 | S | S | * | . | trans | -76.8 | -3.2 | 179 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | H90 | H90-S92 PolarHBondContact O-N 3.09Š| ||
| 93 | Q | 73.4 | Confident | 73.2 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 41% | 0.411 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -84.9 | 131.1 | -177 | -71.4 | -73.1 | -67.4 | 0 | 0 | 110.8 | C91 C96 M110 H113 | C91-Q93 PolarHBondContact O-N 2.97Å; Q93-C96 HydrophobicContact CB-CB 4.46Å; Q93-C96 PolarHBondContact O-N 2.9Å; Q93-M110 HydrophobicContact CG-CE 4.35Å; Q93-M110 HydrophobicContact CG-SD 4.33Å; Q93-H113 HydrophobicContact CG-CB 4.02Å |
| 94 | P | 58.3 | Low | 73.6 | Confident | 92 Ų | 92 | 84.9 Ų | 84.9 | 60% | 0.597 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 147.6 | 176.6 | 24.7 | -33.3 | 0 | 0 | 0 | 110.7 | C96 | P94-C96 PolarHBondContact O-N 3.34Š|
| 95 | H | 69.4 | Low | 74.1 | Confident | 187 Ų | 187 | 84.6 Ų | 84.6 | 87% | 0.866 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 8.4 | -176 | -32.4 | -65.4 | 0 | 0 | 0 | 116.6 | P97 | H95-P97 WeakPolarHBondContact O-CD 3.46Š|
| 96 | C | 76.4 | Confident | 74.7 | Confident | 20 Ų | 20 | 84.4 Ų | 84.4 | 14% | 0.135 | 43% | 0.429 | C | S | . | . | trans | -117.2 | 92.7 | 178.1 | -160.8 | 0 | 0 | 0 | 0 | 114.4 | C91 Q93 P94 K98 H109 H113 | C91-C96 WeakPolarHBondContact CB-O 3.37Å; C91-C96 VanDerWaalsContact SG-CB 3.57Å; Q93-C96 HydrophobicContact CB-CB 4.46Å; Q93-C96 PolarHBondContact O-N 2.9Å; P94-C96 PolarHBondContact O-N 3.34Å; C96-K98 PolarHBondContact O-N 2.94Å; C96-H109 PolarHBondContact SG-NE2 3.21Å; C96-H113 PolarHBondContact SG-CE1 3.31Å | ||
| 97 | P | 75.1 | Confident | 75.4 | Confident | 135 Ų | 135 | 86 Ų | 86 | 88% | 0.877 | 44% | 0.435 | S | S | * | . | trans | -80.3 | 43.5 | -176.5 | 35.7 | -38.8 | 0 | 0 | 0 | 113.1 | H95 | H95-P97 WeakPolarHBondContact O-CD 3.46Š| ||
| 98 | K | 76.1 | Confident | 75.6 | Confident | 112 Ų | 112 | 85.3 Ų | 85.3 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | trans | -102.9 | 116.2 | -177.7 | -71.8 | 179.1 | -176.3 | 166.9 | 0 | 111.1 | C91 C96 F100 | C91-K98 HydrophobicContact CB-CB 4.4Å; C91-K98 WeakPolarHBondContact CB-O 3.47Å; C91-K98 PolarHBondContact N-O 3.27Å; C96-K98 PolarHBondContact O-N 2.94Å; K98-F100 HydrophobicContact CB-CE2 3.78Å; K98-F100 HydrophobicContact CB-CZ 3.9Å; K98-F100 HydrophobicContact CD-CZ 4.4Å; K98-F100 WeakPolarHBondContact O-CE2 3.12Å | ||
| 99 | A | 78.7 | Confident | 75.9 | Confident | 23 Ų | 23 | 81.9 Ų | 81.9 | 19% | 0.19 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 156.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K87 F89 | K87-A99 HydrophobicContact CB-CB 3.49Å; K87-A99 VanDerWaalsContact CB-CB 3.49Å; K87-A99 HydrophobicContact CD-CB 4.27Å; K87-A99 WeakPolarHBondContact CD-O 3.48Å; K87-A99 HydrophobicContact CG-CB 4.44Å; K87-A99 WeakPolarHBondContact O-CB 3.24Å; F89-A99 CarbonylContact O-C 3.49Å; F89-A99 WeakPolarHBondContact O-CA 3.36Å |
| 100 | F | 79.4 | Confident | 75.8 | Confident | 45 Ų | 45 | 80.6 Ų | 80.6 | 20% | 0.197 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152.8 | -175.3 | -58.3 | -92.3 | 0 | 0 | 0 | 111.6 | K87 F89 K98 S102 K105 L106 H109 | K87-F100 CarbonylContact C-O 3.57Å; K87-F100 WeakPolarHBondContact CA-O 3.28Å; F89-F100 HydrophobicContact CB-CB 4.48Å; F89-F100 WeakPolarHBondContact CB-O 3.08Å; F89-F100 WeakPolarHBondContact CD2-O 3.46Å; F89-F100 PolarHBondContact N-O 3.15Å; F89-F100 PolarHBondContact O-N 2.88Å; K98-F100 HydrophobicContact CB-CE2 3.78Å; K98-F100 HydrophobicContact CB-CZ 3.9Å; K98-F100 HydrophobicContact CD-CZ 4.4Å; K98-F100 WeakPolarHBondContact O-CE2 3.12Å; F100-S102 PolarHBondContact O-N 2.81Å; F100-K105 HydrophobicContact CB-CB 3.9Å; F100-K105 HydrophobicContact CD1-CB 3.95Å; F100-K105 HydrophobicContact CG-CB 4.18Å; F100-L106 HydrophobicContact CB-CB 4.48Å; F100-L106 HydrophobicContact CD2-CB 4.15Å; F100-L106 HydrophobicContact CD2-CD1 4.08Å; F100-L106 HydrophobicContact CE2-CD1 4.35Å; F100-H109 HydrophobicContact CE1-CB 4.16Å; F100-H109 HydrophobicContact CE2-CB 3.83Å; F100-H109 AromaticContact CE2-CD2 3.29Å; F100-H109 WeakPolarHBondContact CE2-CD2 3.46Å; F100-H109 AromaticContact CE2-CG 3.72Å; F100-H109 HydrophobicContact CZ-CB 3.52Å; F100-H109 AromaticContact CZ-CD2 3.39Å; F100-H109 WeakPolarHBondContact CZ-CD2 3.46Å; F100-H109 AromaticContact CZ-CG 3.41Å; F100-H109 VanDerWaalsContact CZ-CG 3.41Å |
| 101 | S | 75.8 | Confident | 75.6 | Confident | 13 Ų | 13 | 76.1 Ų | 76.1 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -81.5 | 7.6 | 176 | 80.5 | 0 | 0 | 0 | 0 | 114.5 | L78 K105 | L78-S101 WeakPolarHBondContact CD2-O 3.43Å; S101-K105 PolarHBondContact OG-NZ 2.95Å |
| 102 | S | 77.3 | Confident | 75 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 11% | 0.112 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -156.5 | 140.4 | -179.2 | 174.9 | 0 | 0 | 0 | 0 | 112.7 | F89 F100 Y104 K105 L106 | F89-S102 VanDerWaalsContact CD2-CA 3.42Å; F89-S102 VanDerWaalsContact CD2-N 3.31Å; F100-S102 PolarHBondContact O-N 2.81Å; S102-Y104 VanDerWaalsContact C-N 3.27Å; S102-Y104 PolarHBondContact O-N 3.16Å; S102-Y104 PolarHBondContact OG-N 3.38Å; S102-K105 WeakPolarHBondContact O-CB 3.3Å; S102-K105 PolarHBondContact O-N 3.43Å; S102-L106 PolarHBondContact O-N 3.07Å |
| 103 | K | 76.1 | Confident | 74.8 | Confident | 160 Ų | 160 | 77 Ų | 77 | 70% | 0.696 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -52.5 | -41.2 | 173.1 | -166.1 | 174.9 | -178.9 | 179.3 | 0 | 112.5 | F89 L106 F107 | F89-K103 HydrophobicContact CD1-CB 3.93Å; F89-K103 HydrophobicContact CD1-CG 4.45Å; F89-K103 HydrophobicContact CE1-CB 3.72Å; F89-K103 HydrophobicContact CE1-CG 4.35Å; F89-K103 HydrophobicContact CZ-CB 4.2Å; K103-L106 PolarHBondContact O-N 3.19Å; K103-F107 WeakPolarHBondContact O-CB 3.43Å; K103-F107 PolarHBondContact O-N 3.45Å |
| 104 | Y | 77.2 | Confident | 74.6 | Confident | 153 Ų | 153 | 75.1 Ų | 75.1 | 60% | 0.6 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 175.8 | 175.9 | -96.1 | 0 | 0 | 0 | 112.8 | S102 L106 F107 R108 | S102-Y104 VanDerWaalsContact C-N 3.27Å; S102-Y104 PolarHBondContact O-N 3.16Å; S102-Y104 PolarHBondContact OG-N 3.38Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.68Å; Y104-F107 PolarHBondContact O-N 2.99Å; Y104-R108 WeakPolarHBondContact O-CB 3.38Å; Y104-R108 PolarHBondContact O-N 3.17Å |
| 105 | K | 74.6 | Confident | 74.6 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 32% | 0.317 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 176.8 | -65.6 | 173.3 | -166.5 | 171.2 | 0 | 111 | F100 S101 S102 H109 | F100-K105 HydrophobicContact CB-CB 3.9Å; F100-K105 HydrophobicContact CD1-CB 3.95Å; F100-K105 HydrophobicContact CG-CB 4.18Å; S101-K105 PolarHBondContact OG-NZ 2.95Å; S102-K105 WeakPolarHBondContact O-CB 3.3Å; S102-K105 PolarHBondContact O-N 3.43Å; K105-H109 PolarHBondContact O-N 3.17Å |
| 106 | L | 78.2 | Confident | 74.3 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 15% | 0.152 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.4 | -50.7 | 173.5 | 171.4 | 61.7 | 0 | 0 | 0 | 112 | F89 H90 C91 F100 S102 K103 Y104 R108 H109 M110 | F89-L106 HydrophobicContact CB-CB 3.93Å; F89-L106 HydrophobicContact CB-CD2 3.83Å; F89-L106 HydrophobicContact CB-CG 4.48Å; H90-L106 WeakPolarHBondContact O-CD1 3.29Å; H90-L106 VanDerWaalsContact O-CD2 3.3Å; H90-L106 WeakPolarHBondContact O-CD2 3.35Å; C91-L106 HydrophobicContact CB-CD1 4.45Å; F100-L106 HydrophobicContact CB-CB 4.48Å; F100-L106 HydrophobicContact CD2-CB 4.15Å; F100-L106 HydrophobicContact CD2-CD1 4.08Å; F100-L106 HydrophobicContact CE2-CD1 4.35Å; S102-L106 PolarHBondContact O-N 3.07Å; K103-L106 PolarHBondContact O-N 3.19Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.68Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.08Å; L106-H109 CarbonylContact O-C 3.5Å; L106-H109 WeakPolarHBondContact O-CA 3.45Å; L106-H109 VanDerWaalsContact O-CB 3.32Å; L106-H109 WeakPolarHBondContact O-CB 3.48Å; L106-H109 PolarHBondContact O-N 3.02Å; L106-M110 HydrophobicContact CD1-CE 3.81Å; L106-M110 HydrophobicContact CD1-CG 4.36Å; L106-M110 HydrophobicContact CD1-SD 4.47Å; L106-M110 PolarHBondContact O-N 3.28Å |
| 107 | F | 77.8 | Confident | 73.9 | Confident | 154 Ų | 154 | 78.3 Ų | 78.3 | 68% | 0.675 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.2 | -46 | 178.7 | 178.5 | -99.5 | 0 | 0 | 0 | 111.9 | K103 Y104 H109 M110 A111 | K103-F107 WeakPolarHBondContact O-CB 3.43Å; K103-F107 PolarHBondContact O-N 3.45Å; Y104-F107 PolarHBondContact O-N 2.99Å; F107-H109 PolarHBondContact O-N 3.27Å; F107-M110 WeakPolarHBondContact O-CB 3.45Å; F107-M110 PolarHBondContact O-N 3.39Å; F107-A111 PolarHBondContact O-N 2.95Å |
| 108 | R | 76.8 | Confident | 73.8 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.8 | -21.7 | 173.8 | -168.7 | -175.4 | 67 | -173.7 | -3.2 | 113.4 | Y104 L106 | Y104-R108 WeakPolarHBondContact O-CB 3.38Å; Y104-R108 PolarHBondContact O-N 3.17Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.08Å |
| 109 | H | 79 | Confident | 73.7 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 7% | 0.065 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -84.3 | -34.4 | 170.9 | 176.5 | 41.8 | 0 | 0 | 0 | 112.7 | C96 F100 K105 L106 F107 A111 T112 H113 | C96-H109 PolarHBondContact SG-NE2 3.21Å; F100-H109 HydrophobicContact CE1-CB 4.16Å; F100-H109 HydrophobicContact CE2-CB 3.83Å; F100-H109 AromaticContact CE2-CD2 3.29Å; F100-H109 WeakPolarHBondContact CE2-CD2 3.46Å; F100-H109 AromaticContact CE2-CG 3.72Å; F100-H109 HydrophobicContact CZ-CB 3.52Å; F100-H109 AromaticContact CZ-CD2 3.39Å; F100-H109 WeakPolarHBondContact CZ-CD2 3.46Å; F100-H109 AromaticContact CZ-CG 3.41Å; F100-H109 VanDerWaalsContact CZ-CG 3.41Å; K105-H109 PolarHBondContact O-N 3.17Å; L106-H109 CarbonylContact O-C 3.5Å; L106-H109 WeakPolarHBondContact O-CA 3.45Å; L106-H109 VanDerWaalsContact O-CB 3.32Å; L106-H109 WeakPolarHBondContact O-CB 3.48Å; L106-H109 PolarHBondContact O-N 3.02Å; F107-H109 PolarHBondContact O-N 3.27Å; H109-A111 PolarHBondContact O-N 3.16Å; H109-T112 PolarHBondContact CE1-OG1 3.26Å; H109-T112 PolarHBondContact ND1-OG1 2.9Å; H109-T112 WeakPolarHBondContact O-CA 3.43Å; H109-T112 WeakPolarHBondContact O-CB 3.46Å; H109-T112 PolarHBondContact O-N 2.84Å; H109-T112 PolarHBondContact O-OG1 3.09Å; H109-H113 AromaticContact CD2-NE2 3.9Å; H109-H113 AromaticContact CE1-CD2 3.82Å; H109-H113 AromaticContact CE1-CE1 3.72Å; H109-H113 AromaticContact CE1-NE2 3.13Å; H109-H113 PolarHBondContact CE1-NE2 3.44Å; H109-H113 AromaticContact NE2-CD2 3.85Å; H109-H113 AromaticContact NE2-CE1 3.84Å; H109-H113 AromaticContact NE2-NE2 3Å; H109-H113 PolarHBondContact NE2-NE2 3.19Å |
| 110 | M | 74.2 | Confident | 73.6 | Confident | 44 Ų | 44 | 77 Ų | 77 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.7 | -39.6 | 173.1 | -65.9 | -63.9 | 91.2 | 0 | 0 | 111.2 | C91 Q93 L106 F107 T112 H113 S114 | C91-M110 HydrophobicContact CB-CE 4.03Å; C91-M110 WeakPolarHBondContact SG-CE 3.33Å; Q93-M110 HydrophobicContact CG-CE 4.35Å; Q93-M110 HydrophobicContact CG-SD 4.33Å; L106-M110 HydrophobicContact CD1-CE 3.81Å; L106-M110 HydrophobicContact CD1-CG 4.36Å; L106-M110 HydrophobicContact CD1-SD 4.47Å; L106-M110 PolarHBondContact O-N 3.28Å; F107-M110 WeakPolarHBondContact O-CB 3.45Å; F107-M110 PolarHBondContact O-N 3.39Å; M110-T112 PolarHBondContact O-N 3.09Å; M110-H113 PolarHBondContact O-N 3.42Å; M110-S114 PolarHBondContact O-N 3.16Å |
| 111 | A | 73.8 | Confident | 73.6 | Confident | 33 Ų | 33 | 75 Ų | 75 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F107 H109 H129 | F107-A111 PolarHBondContact O-N 2.95Å; H109-A111 PolarHBondContact O-N 3.16Å; A111-H129 PolarHBondContact O-CD2 3.21Å; A111-H129 PolarHBondContact O-NE2 2.89Å |
| 112 | T | 70.9 | Confident | 73.6 | Confident | 70 Ų | 70 | 79 Ų | 79 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.1 | 177.3 | 67.1 | 0 | 0 | 0 | 0 | 114.7 | H109 M110 | H109-T112 PolarHBondContact CE1-OG1 3.26Å; H109-T112 PolarHBondContact ND1-OG1 2.9Å; H109-T112 WeakPolarHBondContact O-CA 3.43Å; H109-T112 WeakPolarHBondContact O-CB 3.46Å; H109-T112 PolarHBondContact O-N 2.84Å; H109-T112 PolarHBondContact O-OG1 3.09Å; M110-T112 PolarHBondContact O-N 3.09Å |
| 113 | H | 72.8 | Confident | 73.2 | Confident | 66 Ų | 66 | 84.6 Ų | 84.6 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -26.1 | 171.2 | -62.5 | -68.1 | 0 | 0 | 0 | 112.3 | C91 Q93 C96 H109 M110 | C91-H113 PolarHBondContact SG-NE2 3.42Å; Q93-H113 HydrophobicContact CG-CB 4.02Å; C96-H113 PolarHBondContact SG-CE1 3.31Å; H109-H113 AromaticContact CD2-NE2 3.9Å; H109-H113 AromaticContact CE1-CD2 3.82Å; H109-H113 AromaticContact CE1-CE1 3.72Å; H109-H113 AromaticContact CE1-NE2 3.13Å; H109-H113 PolarHBondContact CE1-NE2 3.44Å; H109-H113 AromaticContact NE2-CD2 3.85Å; H109-H113 AromaticContact NE2-CE1 3.84Å; H109-H113 AromaticContact NE2-NE2 3Å; H109-H113 PolarHBondContact NE2-NE2 3.19Å; M110-H113 PolarHBondContact O-N 3.42Å |
| 114 | S | 68.9 | Low | 73.3 | Confident | 47 Ų | 47 | 78.7 Ų | 78.7 | 33% | 0.329 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -60 | 132.2 | 170.7 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | M110 Q116 H129 | M110-S114 PolarHBondContact O-N 3.16Å; S114-Q116 PolarHBondContact O-N 2.9Å; S114-Q116 WeakPolarHBondContact OG-CB 3.46Å; S114-Q116 PolarHBondContact OG-N 3.38Å; S114-Q116 VanDerWaalsContact OG-N 3.16Å; S114-H129 PolarHBondContact O-NE2 2.82Å |
| 115 | P | 59 | Low | 73.3 | Confident | 124 Ų | 124 | 80 Ų | 80 | 81% | 0.805 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -66.8 | -23.5 | 171.1 | 29 | -34.4 | 0 | 0 | 0 | 111.7 | K117 | P115-K117 PolarHBondContact O-N 3.45Š|
| 116 | Q | 62.3 | Low | 73.3 | Confident | 144 Ų | 144 | 82.2 Ų | 82.2 | 67% | 0.673 | 42% | 0.421 | S | S | * | . | trans | -77.1 | 108.1 | -175.1 | -160.7 | -179.4 | 31.1 | 0 | 0 | 111.3 | S114 T118 H129 | S114-Q116 PolarHBondContact O-N 2.9Å; S114-Q116 WeakPolarHBondContact OG-CB 3.46Å; S114-Q116 PolarHBondContact OG-N 3.38Å; S114-Q116 VanDerWaalsContact OG-N 3.16Å; Q116-T118 PolarHBondContact O-N 3.03Å; Q116-H129 PolarHBondContact O-CD2 3.25Å | ||
| 117 | K | 69 | Low | 73.3 | Confident | 98 Ų | 98 | 84.6 Ų | 84.6 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | trans | -89 | 103 | 173.6 | -69 | 162.5 | 168.7 | -173 | 0 | 109.4 | P115 H119 M127 | P115-K117 PolarHBondContact O-N 3.45Å; K117-H119 VanDerWaalsContact C-N 3.3Å; K117-H119 PolarHBondContact O-N 3.27Å; K117-M127 HydrophobicContact CB-CB 3.52Å; K117-M127 HydrophobicContact CD-CB 3.9Å; K117-M127 WeakPolarHBondContact CD-O 3.46Å; K117-M127 HydrophobicContact CG-CB 4.37Å; K117-M127 WeakPolarHBondContact O-CE 3.07Å | ||
| 118 | T | 71.4 | Confident | 73.4 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | trans | -73.8 | -9.1 | -169.6 | 50.3 | 0 | 0 | 0 | 0 | 116 | Q116 F128 | Q116-T118 PolarHBondContact O-N 3.03Å; T118-F128 PolarHBondContact N-O 2.92Å | ||
| 119 | H | 74.3 | Confident | 73.3 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 92.2 | -171.4 | -56.8 | -46.3 | 0 | 0 | 0 | 111.9 | K117 M127 F128 R130 K131 L134 | K117-H119 VanDerWaalsContact C-N 3.3Å; K117-H119 PolarHBondContact O-N 3.27Å; H119-M127 CarbonylContact O-C 3.56Å; H119-M127 WeakPolarHBondContact O-CA 3.47Å; H119-F128 WeakPolarHBondContact CB-O 3.39Å; H119-F128 PolarHBondContact N-O 2.79Å; H119-F128 PolarHBondContact O-N 3.06Å; H119-R130 VanDerWaalsContact CD2-C 3.48Å; H119-K131 PolarHBondContact CD2-N 3.16Å; H119-K131 VanDerWaalsContact CD2-N 3.33Å; H119-K131 WeakPolarHBondContact NE2-CG 3.28Å; H119-L134 HydrophobicContact CB-CB 4.25Å; H119-L134 HydrophobicContact CB-CD2 3.9Å |
| 120 | Q | 77.1 | Confident | 73.1 | Confident | 118 Ų | 118 | 79.9 Ų | 79.9 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 150.1 | 172.8 | -173.3 | 166.3 | -13.5 | 0 | 0 | 111.7 | M127 L134 | Q120-M127 HydrophobicContact CB-CE 4.15Å; Q120-M127 HydrophobicContact CB-CG 4Å; Q120-M127 HydrophobicContact CG-CG 4.08Å; Q120-L134 WeakPolarHBondContact O-CD2 3.38Å |
| 121 | C | 80.4 | Confident | 73.1 | Confident | 3 Ų | 3 | 85.2 Ų | 85.2 | 2% | 0.02 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.7 | 171.1 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | F123 C124 K126 L134 H141 | C121-F123 VanDerWaalsContact C-N 3.3Å; C121-F123 PolarHBondContact O-N 2.89Å; C121-C124 WeakPolarHBondContact CB-O 3.49Å; C121-K126 WeakPolarHBondContact CB-O 3.21Å; C121-K126 PolarHBondContact N-O 3.09Å; C121-L134 HydrophobicContact CB-CD1 3.82Å; C121-H141 VanDerWaalsContact SG-CD2 3.53Å; C121-H141 PolarHBondContact SG-NE2 3.2Å |
| 122 | S | 74.8 | Confident | 73.1 | Confident | 96 Ų | 96 | 86.7 Ų | 86.7 | 67% | 0.671 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -40.3 | 174.7 | 46 | 0 | 0 | 0 | 0 | 112.3 | ||
| 123 | F | 69.8 | Low | 73.4 | Confident | 133 Ų | 133 | 87.3 Ų | 87.3 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -3.6 | -174.8 | -54.6 | -69.3 | 0 | 0 | 0 | 115.4 | C121 L138 H141 | C121-F123 VanDerWaalsContact C-N 3.3Å; C121-F123 PolarHBondContact O-N 2.89Å; F123-L138 HydrophobicContact CD2-CD2 3.82Å; F123-L138 HydrophobicContact CE2-CD2 4.04Å; F123-H141 HydrophobicContact CB-CB 4.1Å; F123-H141 HydrophobicContact CD2-CB 3.69Å; F123-H141 AromaticContact CD2-CG 3.96Å; F123-H141 HydrophobicContact CE2-CB 4.39Å; F123-H141 HydrophobicContact CG-CB 4.04Å |
| 124 | C | 77.6 | Confident | 73.7 | Confident | 37 Ų | 37 | 85.5 Ų | 85.5 | 25% | 0.25 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 163.3 | 172.7 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | C121 K126 H137 H141 | C121-C124 WeakPolarHBondContact CB-O 3.49Å; C124-K126 PolarHBondContact O-N 3.11Å; C124-H137 PolarHBondContact SG-NE2 3.29Å; C124-H137 VanDerWaalsContact SG-NE2 3.39Å; C124-H141 VanDerWaalsContact SG-CE1 3.53Å; C124-H141 PolarHBondContact SG-NE2 3.1Å; C124-H141 VanDerWaalsContact SG-NE2 3.42Å |
| 125 | E | 77.4 | Confident | 74.1 | Confident | 181 Ų | 181 | 89.9 Ų | 89.9 | 85% | 0.846 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | -0.4 | 178.4 | -61.6 | 164.6 | -159.5 | 0 | 0 | 116.5 | M127 | E125-M127 PolarHBondContact O-N 2.95Å; E125-M127 VanDerWaalsContact O-N 3.13Å |
| 126 | K | 73.9 | Confident | 74.8 | Confident | 119 Ų | 119 | 88 Ų | 88 | 52% | 0.517 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 110.1 | -178.5 | -67.5 | 172.2 | -169.8 | 151.6 | 0 | 110.5 | C121 C124 F128 | C121-K126 WeakPolarHBondContact CB-O 3.21Å; C121-K126 PolarHBondContact N-O 3.09Å; C124-K126 PolarHBondContact O-N 3.11Å; K126-F128 HydrophobicContact CB-CE2 3.71Å; K126-F128 HydrophobicContact CB-CZ 3.98Å; K126-F128 WeakPolarHBondContact O-CD2 3.46Å; K126-F128 WeakPolarHBondContact O-CE2 3.46Å |
| 127 | M | 78.4 | Confident | 75.6 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 39% | 0.389 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 145.6 | 171.2 | -48.5 | 175.8 | 96.1 | 0 | 0 | 112.1 | K117 H119 Q120 E125 | K117-M127 HydrophobicContact CB-CB 3.52Å; K117-M127 HydrophobicContact CD-CB 3.9Å; K117-M127 WeakPolarHBondContact CD-O 3.46Å; K117-M127 HydrophobicContact CG-CB 4.37Å; K117-M127 WeakPolarHBondContact O-CE 3.07Å; H119-M127 CarbonylContact O-C 3.56Å; H119-M127 WeakPolarHBondContact O-CA 3.47Å; Q120-M127 HydrophobicContact CB-CE 4.15Å; Q120-M127 HydrophobicContact CB-CG 4Å; Q120-M127 HydrophobicContact CG-CG 4.08Å; E125-M127 PolarHBondContact O-N 2.95Å; E125-M127 VanDerWaalsContact O-N 3.13Å |
| 128 | F | 79 | Confident | 75.9 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 21% | 0.211 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.3 | -176.1 | -60.4 | -95.5 | 0 | 0 | 0 | 111.1 | T118 H119 K126 R130 H133 L134 H137 | T118-F128 PolarHBondContact N-O 2.92Å; H119-F128 WeakPolarHBondContact CB-O 3.39Å; H119-F128 PolarHBondContact N-O 2.79Å; H119-F128 PolarHBondContact O-N 3.06Å; K126-F128 HydrophobicContact CB-CE2 3.71Å; K126-F128 HydrophobicContact CB-CZ 3.98Å; K126-F128 WeakPolarHBondContact O-CD2 3.46Å; K126-F128 WeakPolarHBondContact O-CE2 3.46Å; F128-R130 VanDerWaalsContact C-N 3.28Å; F128-R130 PolarHBondContact O-N 3.14Å; F128-H133 HydrophobicContact CB-CB 4.43Å; F128-H133 HydrophobicContact CD1-CB 3.98Å; F128-L134 HydrophobicContact CD2-CB 4.3Å; F128-L134 HydrophobicContact CD2-CD1 4.18Å; F128-L134 HydrophobicContact CE2-CD1 4.43Å; F128-H137 HydrophobicContact CE1-CB 4.16Å; F128-H137 HydrophobicContact CE2-CB 4.03Å; F128-H137 AromaticContact CE2-CD2 3.25Å; F128-H137 WeakPolarHBondContact CE2-CD2 3.34Å; F128-H137 AromaticContact CE2-CG 3.78Å; F128-H137 HydrophobicContact CZ-CB 3.62Å; F128-H137 AromaticContact CZ-CD2 3.3Å; F128-H137 WeakPolarHBondContact CZ-CD2 3.37Å; F128-H137 AromaticContact CZ-CG 3.4Å |
| 129 | H | 74.7 | Confident | 75.7 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -80.7 | 0 | 173.8 | -63.4 | 107.7 | 0 | 0 | 0 | 114.3 | A111 S114 Q116 | A111-H129 PolarHBondContact O-CD2 3.21Å; A111-H129 PolarHBondContact O-NE2 2.89Å; S114-H129 PolarHBondContact O-NE2 2.82Å; Q116-H129 PolarHBondContact O-CD2 3.25Å |
| 130 | R | 74.8 | Confident | 75.3 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 22% | 0.223 | 39% | 0.388 | C | S | . | . | trans | -147.2 | 131.8 | -172.1 | -72.1 | 176.1 | 58.3 | -179.2 | 2.5 | 113 | H119 F128 D132 H133 L134 | H119-R130 VanDerWaalsContact CD2-C 3.48Å; F128-R130 VanDerWaalsContact C-N 3.28Å; F128-R130 PolarHBondContact O-N 3.14Å; R130-D132 VanDerWaalsContact C-N 3.3Å; R130-D132 IonicContact CZ-OD1 3.62Å; R130-D132 IonicContact CZ-OD2 3.61Å; R130-D132 IonicContact NE-OD1 3.24Å; R130-D132 PolarHBondContact NE-OD1 2.91Å; R130-D132 IonicContact NE-OD2 2.88Å; R130-D132 IonicContact NH2-OD1 2.68Å; R130-D132 PolarHBondContact NH2-OD1 2.69Å; R130-D132 IonicContact NH2-OD2 2.79Å; R130-D132 PolarHBondContact NH2-OD2 2.79Å; R130-D132 PolarHBondContact O-N 3.41Å; R130-H133 HydrophobicContact CB-CB 4.08Å; R130-H133 PolarHBondContact NH1-CE1 3.2Å; R130-H133 PolarHBondContact NH1-NE2 3.12Å; R130-H133 PolarHBondContact O-N 3.05Å; R130-H133 VanDerWaalsContact O-N 3.11Å; R130-L134 PolarHBondContact O-N 3.16Å | ||
| 131 | K | 74.3 | Confident | 74.8 | Confident | 156 Ų | 156 | 76.8 Ų | 76.8 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.3 | -37.6 | 176.2 | -65.3 | -168.9 | 178.5 | -176.9 | 0 | 113.1 | H119 L134 K135 | H119-K131 PolarHBondContact CD2-N 3.16Å; H119-K131 VanDerWaalsContact CD2-N 3.33Å; H119-K131 WeakPolarHBondContact NE2-CG 3.28Å; K131-L134 PolarHBondContact O-N 3.49Å; K131-K135 WeakPolarHBondContact O-CB 3.15Å; K131-K135 PolarHBondContact O-N 3.21Å |
| 132 | D | 75.3 | Confident | 74.1 | Confident | 64 Ų | 64 | 80 Ų | 80 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.6 | -30.3 | 178 | 70.1 | -85.6 | 0 | 0 | 0 | 113.1 | R130 K135 N136 | R130-D132 VanDerWaalsContact C-N 3.3Å; R130-D132 IonicContact CZ-OD1 3.62Å; R130-D132 IonicContact CZ-OD2 3.61Å; R130-D132 IonicContact NE-OD1 3.24Å; R130-D132 PolarHBondContact NE-OD1 2.91Å; R130-D132 IonicContact NE-OD2 2.88Å; R130-D132 IonicContact NH2-OD1 2.68Å; R130-D132 PolarHBondContact NH2-OD1 2.69Å; R130-D132 IonicContact NH2-OD2 2.79Å; R130-D132 PolarHBondContact NH2-OD2 2.79Å; R130-D132 PolarHBondContact O-N 3.41Å; D132-K135 PolarHBondContact O-N 3.4Å; D132-N136 WeakPolarHBondContact O-CB 3.38Å; D132-N136 PolarHBondContact O-N 3.09Å; D132-N136 PolarHBondContact O-ND2 3.25Å |
| 133 | H | 76.8 | Confident | 73.3 | Confident | 83 Ų | 83 | 81.9 Ų | 81.9 | 38% | 0.384 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73.3 | -37.5 | 173.8 | -68.3 | 2.3 | 0 | 0 | 0 | 111.2 | F128 R130 H137 | F128-H133 HydrophobicContact CB-CB 4.43Å; F128-H133 HydrophobicContact CD1-CB 3.98Å; R130-H133 HydrophobicContact CB-CB 4.08Å; R130-H133 PolarHBondContact NH1-CE1 3.2Å; R130-H133 PolarHBondContact NH1-NE2 3.12Å; R130-H133 PolarHBondContact O-N 3.05Å; R130-H133 VanDerWaalsContact O-N 3.11Å; H133-H137 WeakPolarHBondContact O-CB 3.19Å; H133-H137 PolarHBondContact O-N 3.41Å; H133-H137 VanDerWaalsContact O-N 3.08Å |
| 134 | L | 78.5 | Confident | 72.5 | Confident | 29 Ų | 29 | 83 Ų | 83 | 15% | 0.152 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 168 | 174 | 60.1 | 0 | 0 | 0 | 111.2 | H119 Q120 C121 F128 R130 K131 N136 H137 L138 | H119-L134 HydrophobicContact CB-CB 4.25Å; H119-L134 HydrophobicContact CB-CD2 3.9Å; Q120-L134 WeakPolarHBondContact O-CD2 3.38Å; C121-L134 HydrophobicContact CB-CD1 3.82Å; F128-L134 HydrophobicContact CD2-CB 4.3Å; F128-L134 HydrophobicContact CD2-CD1 4.18Å; F128-L134 HydrophobicContact CE2-CD1 4.43Å; R130-L134 PolarHBondContact O-N 3.16Å; K131-L134 PolarHBondContact O-N 3.49Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 2.9Å; L134-H137 CarbonylContact O-C 3.35Å; L134-H137 WeakPolarHBondContact O-CA 3.4Å; L134-H137 WeakPolarHBondContact O-CB 3.38Å; L134-H137 PolarHBondContact O-N 2.84Å; L134-L138 HydrophobicContact CD1-CD1 4.17Å; L134-L138 HydrophobicContact CD1-CD2 4.19Å; L134-L138 HydrophobicContact CD1-CG 3.9Å; L134-L138 HydrophobicContact CG-CD1 4.02Å; L134-L138 HydrophobicContact CG-CG 4.24Å; L134-L138 WeakPolarHBondContact O-CG 3.49Å; L134-L138 PolarHBondContact O-N 2.8Å |
| 135 | K | 76.8 | Confident | 71.5 | Confident | 139 Ų | 139 | 85.2 Ų | 85.2 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.4 | -43.2 | 179 | -171.4 | 168.3 | -176.1 | 169.8 | 0 | 112.3 | K131 D132 H137 L138 Q139 | K131-K135 WeakPolarHBondContact O-CB 3.15Å; K131-K135 PolarHBondContact O-N 3.21Å; D132-K135 PolarHBondContact O-N 3.4Å; K135-H137 PolarHBondContact O-N 3.11Å; K135-L138 PolarHBondContact O-N 2.77Å; K135-Q139 WeakPolarHBondContact O-CG 3.36Å; K135-Q139 PolarHBondContact O-N 2.88Å |
| 136 | N | 75.3 | Confident | 70.5 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.4 | -19.4 | 174.3 | -67 | -14.4 | 0 | 0 | 0 | 113.4 | D132 L134 | D132-N136 WeakPolarHBondContact O-CB 3.38Å; D132-N136 PolarHBondContact O-N 3.09Å; D132-N136 PolarHBondContact O-ND2 3.25Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 2.9Å |
| 137 | H | 78.2 | Confident | 69.9 | Low | 20 Ų | 20 | 81.4 Ų | 81.4 | 9% | 0.093 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -89.1 | -33.5 | 174.7 | 177.7 | 45.1 | 0 | 0 | 0 | 113.1 | C124 F128 H133 L134 K135 Q139 T140 H141 | C124-H137 PolarHBondContact SG-NE2 3.29Å; C124-H137 VanDerWaalsContact SG-NE2 3.39Å; F128-H137 HydrophobicContact CE1-CB 4.16Å; F128-H137 HydrophobicContact CE2-CB 4.03Å; F128-H137 AromaticContact CE2-CD2 3.25Å; F128-H137 WeakPolarHBondContact CE2-CD2 3.34Å; F128-H137 AromaticContact CE2-CG 3.78Å; F128-H137 HydrophobicContact CZ-CB 3.62Å; F128-H137 AromaticContact CZ-CD2 3.3Å; F128-H137 WeakPolarHBondContact CZ-CD2 3.37Å; F128-H137 AromaticContact CZ-CG 3.4Å; H133-H137 WeakPolarHBondContact O-CB 3.19Å; H133-H137 PolarHBondContact O-N 3.41Å; H133-H137 VanDerWaalsContact O-N 3.08Å; L134-H137 CarbonylContact O-C 3.35Å; L134-H137 WeakPolarHBondContact O-CA 3.4Å; L134-H137 WeakPolarHBondContact O-CB 3.38Å; L134-H137 PolarHBondContact O-N 2.84Å; K135-H137 PolarHBondContact O-N 3.11Å; H137-Q139 PolarHBondContact O-N 2.68Å; H137-T140 PolarHBondContact CE1-OG1 3.23Å; H137-T140 PolarHBondContact ND1-OG1 3.35Å; H137-T140 WeakPolarHBondContact O-CA 3.29Å; H137-T140 WeakPolarHBondContact O-CB 3.2Å; H137-T140 PolarHBondContact O-N 3.25Å; H137-T140 PolarHBondContact O-OG1 2.86Å; H137-H141 AromaticContact CD2-NE2 3.82Å; H137-H141 AromaticContact CE1-CD2 3.73Å; H137-H141 AromaticContact CE1-CE1 3.99Å; H137-H141 AromaticContact CE1-NE2 3.12Å; H137-H141 PolarHBondContact CE1-NE2 2.9Å; H137-H141 AromaticContact NE2-CD2 3.71Å; H137-H141 AromaticContact NE2-CE1 3.98Å; H137-H141 AromaticContact NE2-NE2 2.95Å; H137-H141 PolarHBondContact NE2-NE2 3.01Å; H137-H141 PolarHBondContact O-CD2 3.2Å |
| 138 | L | 74.6 | Confident | 69.5 | Low | 48 Ų | 48 | 80.9 Ų | 80.9 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -37.5 | 170.3 | -66.9 | 170.1 | 0 | 0 | 0 | 110.3 | F123 L134 K135 T140 H141 D142 | F123-L138 HydrophobicContact CD2-CD2 3.82Å; F123-L138 HydrophobicContact CE2-CD2 4.04Å; L134-L138 HydrophobicContact CD1-CD1 4.17Å; L134-L138 HydrophobicContact CD1-CD2 4.19Å; L134-L138 HydrophobicContact CD1-CG 3.9Å; L134-L138 HydrophobicContact CG-CD1 4.02Å; L134-L138 HydrophobicContact CG-CG 4.24Å; L134-L138 WeakPolarHBondContact O-CG 3.49Å; L134-L138 PolarHBondContact O-N 2.8Å; K135-L138 PolarHBondContact O-N 2.77Å; L138-T140 PolarHBondContact O-N 3.18Å; L138-H141 PolarHBondContact O-N 3.44Å; L138-D142 PolarHBondContact O-N 3.18Å; L138-D142 VanDerWaalsContact O-N 3.1Å |
| 139 | Q | 67.9 | Low | 69.3 | Low | 51 Ų | 51 | 84.2 Ų | 84.2 | 24% | 0.238 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 0.1 | 168.1 | -66 | -179.8 | -3.5 | 0 | 0 | 115.8 | K135 H137 D142 K145 | K135-Q139 WeakPolarHBondContact O-CG 3.36Å; K135-Q139 PolarHBondContact O-N 2.88Å; H137-Q139 PolarHBondContact O-N 2.68Å; Q139-D142 WeakPolarHBondContact CA-OD2 3.22Å; Q139-K145 HydrophobicContact CB-CD 4.09Å; Q139-K145 HydrophobicContact CG-CD 3.87Å |
| 140 | T | 66.4 | Low | 69.4 | Low | 72 Ų | 72 | 82 Ų | 82 | 44% | 0.442 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -2 | 169.4 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | H137 L138 | H137-T140 PolarHBondContact CE1-OG1 3.23Å; H137-T140 PolarHBondContact ND1-OG1 3.35Å; H137-T140 WeakPolarHBondContact O-CA 3.29Å; H137-T140 WeakPolarHBondContact O-CB 3.2Å; H137-T140 PolarHBondContact O-N 3.25Å; H137-T140 PolarHBondContact O-OG1 2.86Å; L138-T140 PolarHBondContact O-N 3.18Å |
| 141 | H | 65.9 | Low | 69.4 | Low | 58 Ų | 58 | 87.3 Ų | 87.3 | 27% | 0.269 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -27.9 | 168.6 | -66.2 | -77.5 | 0 | 0 | 0 | 112.1 | C121 F123 C124 H137 L138 P143 | C121-H141 VanDerWaalsContact SG-CD2 3.53Å; C121-H141 PolarHBondContact SG-NE2 3.2Å; F123-H141 HydrophobicContact CB-CB 4.1Å; F123-H141 HydrophobicContact CD2-CB 3.69Å; F123-H141 AromaticContact CD2-CG 3.96Å; F123-H141 HydrophobicContact CE2-CB 4.39Å; F123-H141 HydrophobicContact CG-CB 4.04Å; C124-H141 VanDerWaalsContact SG-CE1 3.53Å; C124-H141 PolarHBondContact SG-NE2 3.1Å; C124-H141 VanDerWaalsContact SG-NE2 3.42Å; H137-H141 AromaticContact CD2-NE2 3.82Å; H137-H141 AromaticContact CE1-CD2 3.73Å; H137-H141 AromaticContact CE1-CE1 3.99Å; H137-H141 AromaticContact CE1-NE2 3.12Å; H137-H141 PolarHBondContact CE1-NE2 2.9Å; H137-H141 AromaticContact NE2-CD2 3.71Å; H137-H141 AromaticContact NE2-CE1 3.98Å; H137-H141 AromaticContact NE2-NE2 2.95Å; H137-H141 PolarHBondContact NE2-NE2 3.01Å; H137-H141 PolarHBondContact O-CD2 3.2Å; L138-H141 PolarHBondContact O-N 3.44Å; H141-P143 WeakPolarHBondContact O-CD 3.48Å; H141-P143 VanDerWaalsContact O-N 3.15Å |
| 142 | D | 65.2 | Low | 69.2 | Low | 71 Ų | 71 | 85.9 Ų | 85.9 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | trans | -61.1 | 107.1 | 172.6 | -57.4 | -37.6 | 0 | 0 | 0 | 110.6 | L138 Q139 K145 | L138-D142 PolarHBondContact O-N 3.18Å; L138-D142 VanDerWaalsContact O-N 3.1Å; Q139-D142 WeakPolarHBondContact CA-OD2 3.22Å; D142-K145 HydrophobicContact CB-CB 3.74Å; D142-K145 HydrophobicContact CB-CD 4.47Å | ||
| 143 | P | 58.1 | Low | 69.1 | Low | 135 Ų | 135 | 85.1 Ų | 85.1 | 88% | 0.877 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -24.5 | -177.7 | 34.1 | -33.8 | 0 | 0 | 0 | 112 | H141 K145 | H141-P143 WeakPolarHBondContact O-CD 3.48Å; H141-P143 VanDerWaalsContact O-N 3.15Å; P143-K145 VanDerWaalsContact C-N 3.35Å |
| 144 | N | 53.4 | Low | 68.9 | Low | 156 Ų | 156 | 82.8 Ų | 82.8 | 83% | 0.834 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 16.1 | -176.6 | -163.8 | 32.5 | 0 | 0 | 0 | 112.8 | E146 | N144-E146 PolarHBondContact O-N 3.19Š|
| 145 | K | 56.2 | Low | 68.7 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 37% | 0.365 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -89 | 111.9 | -179.5 | -166.8 | 176.4 | -166.1 | -48.2 | 0 | 109.3 | Q139 D142 P143 A147 | Q139-K145 HydrophobicContact CB-CD 4.09Å; Q139-K145 HydrophobicContact CG-CD 3.87Å; D142-K145 HydrophobicContact CB-CB 3.74Å; D142-K145 HydrophobicContact CB-CD 4.47Å; P143-K145 VanDerWaalsContact C-N 3.35Å; K145-A147 PolarHBondContact O-N 2.78Å |
| 146 | E | 56.3 | Low | 68.5 | Low | 182 Ų | 182 | 85.9 Ų | 85.9 | 85% | 0.85 | 44% | 0.444 | S | S | * | . | trans | -44.6 | 110.2 | -179.1 | -70.2 | -162.4 | 141.2 | 0 | 0 | 111.7 | N144 F148 | N144-E146 PolarHBondContact O-N 3.19Å; E146-F148 PolarHBondContact O-N 3.45Å | ||
| 147 | A | 62.1 | Low | 68.4 | Low | 38 Ų | 38 | 84.6 Ų | 84.6 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | trans | -78.8 | 120.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | K145 K149 H156 Y157 | K145-A147 PolarHBondContact O-N 2.78Å; A147-K149 PolarHBondContact O-N 3.17Å; A147-H156 HydrophobicContact CB-CB 3.83Å; A147-Y157 CarbonylContact C-O 3.54Å; A147-Y157 WeakPolarHBondContact CA-O 3.45Å | ||
| 148 | F | 69.2 | Low | 67.9 | Low | 68 Ų | 68 | 87.7 Ų | 87.7 | 30% | 0.298 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 104.1 | -179 | -62.8 | -83.6 | 0 | 0 | 0 | 109.7 | E146 Y157 K160 Y163 | E146-F148 PolarHBondContact O-N 3.45Å; F148-Y157 WeakPolarHBondContact CD2-O 3.48Å; F148-Y157 PolarHBondContact N-O 2.84Å; F148-Y157 PolarHBondContact O-N 2.94Å; F148-K160 HydrophobicContact CD2-CB 4.46Å; F148-K160 HydrophobicContact CE1-CB 4.47Å; F148-K160 HydrophobicContact CE1-CG 4.33Å; F148-K160 HydrophobicContact CE2-CB 3.78Å; F148-K160 HydrophobicContact CE2-CG 4.49Å; F148-K160 HydrophobicContact CZ-CB 3.78Å; F148-K160 HydrophobicContact CZ-CD 4.27Å; F148-K160 HydrophobicContact CZ-CG 4.08Å; F148-Y163 HydrophobicContact CB-CD1 4.21Å; F148-Y163 HydrophobicContact CB-CD2 3.57Å; F148-Y163 HydrophobicContact CB-CE2 4.29Å; F148-Y163 HydrophobicContact CB-CG 3.53Å; F148-Y163 HydrophobicContact CG-CG 4.19Å |
| 149 | K | 74.8 | Confident | 67.7 | Low | 119 Ų | 119 | 87.7 Ų | 87.7 | 52% | 0.517 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.5 | -179.6 | 179 | -169.3 | 170 | -162.9 | 0 | 108.4 | A147 K155 Y163 | A147-K149 PolarHBondContact O-N 3.17Å; K149-K155 CarbonylContact C-O 3.24Å; K149-K155 WeakPolarHBondContact CA-O 3.45Å; K149-Y163 WeakPolarHBondContact O-CE2 3.45Å |
| 150 | C | 77.6 | Confident | 67.8 | Low | 4 Ų | 4 | 91.9 Ų | 91.9 | 3% | 0.027 | 47% | 0.47 | C | S | . | . | trans | -74.8 | 122.2 | 162.8 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | E152 G154 K155 Y163 H166 | C150-E152 VanDerWaalsContact C-N 3.29Å; C150-E152 PolarHBondContact SG-N 2.64Å; C150-G154 WeakPolarHBondContact O-CA 3.34Å; C150-G154 PolarHBondContact O-N 3.42Å; C150-K155 PolarHBondContact N-O 3.09Å; C150-Y163 HydrophobicContact CB-CE2 4.36Å; C150-H166 WeakPolarHBondContact CB-NE2 3.23Å | ||
| 151 | E | 74.6 | Confident | 67.9 | Low | 172 Ų | 172 | 94.5 Ų | 94.5 | 80% | 0.804 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -36.8 | 177 | -66.1 | 170 | 160.2 | 0 | 0 | 110.9 | C153 | E151-C153 PolarHBondContact O-N 3.42Š|
| 152 | E | 69.4 | Low | 68.2 | Low | 126 Ų | 126 | 92.4 Ų | 92.4 | 59% | 0.589 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.7 | -175.6 | -150.8 | -177 | 128 | 0 | 0 | 114.9 | C150 H170 | C150-E152 VanDerWaalsContact C-N 3.29Å; C150-E152 PolarHBondContact SG-N 2.64Å; E152-H170 WeakPolarHBondContact OE1-CB 3.18Å; E152-H170 IonicContact OE1-CE1 2.84Å; E152-H170 IonicContact OE1-CG 2.7Å; E152-H170 IonicContact OE1-ND1 2.66Å; E152-H170 PolarHBondContact OE1-ND1 3.03Å; E152-H170 WeakPolarHBondContact OE2-CB 3.38Å; E152-H170 IonicContact OE2-CG 2.69Å; E152-H170 IonicContact OE2-ND1 3.75Å |
| 153 | C | 74.4 | Confident | 68.7 | Low | 47 Ų | 47 | 91.9 Ų | 91.9 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.1 | 14.7 | 172.3 | 73.5 | 0 | 0 | 0 | 0 | 116.8 | E151 K155 H166 H170 | E151-C153 PolarHBondContact O-N 3.42Å; C153-K155 PolarHBondContact O-N 3.41Å; C153-K155 PolarHBondContact SG-NZ 2.97Å; C153-H166 PolarHBondContact SG-CE1 3.32Å; C153-H166 PolarHBondContact SG-NE2 3.14Å; C153-H170 PolarHBondContact SG-NE2 2.96Å |
| 154 | G | 72.2 | Confident | 69.3 | Low | 34 Ų | 34 | 92.5 Ų | 92.5 | 35% | 0.351 | 46% | 0.456 | S | S | . | . | trans | 66.5 | 5.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | C150 H156 | C150-G154 WeakPolarHBondContact O-CA 3.34Å; C150-G154 PolarHBondContact O-N 3.42Å; G154-H156 PolarHBondContact O-CE1 3.4Å; G154-H156 PolarHBondContact O-ND1 3.36Å; G154-H156 VanDerWaalsContact O-ND1 3.12Å | ||
| 155 | K | 73.4 | Confident | 70.2 | Confident | 105 Ų | 105 | 89.2 Ų | 89.2 | 46% | 0.457 | 43% | 0.432 | S | S | . | . | trans | -77.4 | 135.9 | -177 | -67.6 | -176.9 | -168.4 | 86.8 | 0 | 111.7 | K149 C150 C153 Y157 | K149-K155 CarbonylContact C-O 3.24Å; K149-K155 WeakPolarHBondContact CA-O 3.45Å; C150-K155 PolarHBondContact N-O 3.09Å; C153-K155 PolarHBondContact O-N 3.41Å; C153-K155 PolarHBondContact SG-NZ 2.97Å; K155-Y157 HydrophobicContact CB-CE2 3.55Å; K155-Y157 WeakPolarHBondContact O-CD2 3.22Å | ||
| 156 | H | 73.3 | Confident | 71.2 | Confident | 128 Ų | 128 | 85.7 Ų | 85.7 | 59% | 0.593 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.4 | -174.1 | -66.9 | 91.9 | 0 | 0 | 0 | 111.9 | A147 G154 | A147-H156 HydrophobicContact CB-CB 3.83Å; G154-H156 PolarHBondContact O-CE1 3.4Å; G154-H156 PolarHBondContact O-ND1 3.36Å; G154-H156 VanDerWaalsContact O-ND1 3.12Å |
| 157 | Y | 73.8 | Confident | 72.1 | Confident | 59 Ų | 59 | 79.4 Ų | 79.4 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.5 | -177.2 | -66.9 | -94.2 | 0 | 0 | 0 | 112.3 | A147 F148 K155 T159 Y163 H166 | A147-Y157 CarbonylContact C-O 3.54Å; A147-Y157 WeakPolarHBondContact CA-O 3.45Å; F148-Y157 WeakPolarHBondContact CD2-O 3.48Å; F148-Y157 PolarHBondContact N-O 2.84Å; F148-Y157 PolarHBondContact O-N 2.94Å; K155-Y157 HydrophobicContact CB-CE2 3.55Å; K155-Y157 WeakPolarHBondContact O-CD2 3.22Å; Y157-T159 PolarHBondContact O-N 2.94Å; Y157-T159 VanDerWaalsContact O-N 3.14Å; Y157-Y163 HydrophobicContact CD2-CD2 4.45Å; Y157-H166 AromaticContact CD2-CD2 3.86Å; Y157-H166 HydrophobicContact CE1-CB 4Å; Y157-H166 HydrophobicContact CE2-CB 4Å; Y157-H166 AromaticContact CE2-CD2 3.01Å; Y157-H166 WeakPolarHBondContact CE2-CD2 3.35Å; Y157-H166 AromaticContact CE2-CG 3.6Å; Y157-H166 AromaticContact CE2-NE2 3.67Å; Y157-H166 AromaticContact CZ-CD2 3.4Å; Y157-H166 VanDerWaalsContact CZ-CD2 3.4Å; Y157-H166 AromaticContact CZ-CG 3.46Å; Y157-H166 VanDerWaalsContact CZ-CG 3.46Å; Y157-H166 PolarHBondContact OH-CD2 2.82Å; Y157-H166 VanDerWaalsContact OH-CG 3.26Å |
| 158 | N | 67.4 | Low | 72.4 | Confident | 85 Ų | 85 | 78 Ų | 78 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -68.7 | -7.1 | 177.5 | 64.1 | 1.6 | 0 | 0 | 0 | 114.9 | ||
| 159 | T | 69.9 | Low | 72.3 | Confident | 47 Ų | 47 | 77.5 Ų | 77.5 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -137.8 | 135.2 | -176.4 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | Y157 L161 G162 Y163 | Y157-T159 PolarHBondContact O-N 2.94Å; Y157-T159 VanDerWaalsContact O-N 3.14Å; T159-L161 PolarHBondContact O-N 3.18Å; T159-L161 VanDerWaalsContact O-N 3.16Å; T159-G162 WeakPolarHBondContact O-CA 3.43Å; T159-G162 PolarHBondContact O-N 2.84Å; T159-Y163 PolarHBondContact O-N 2.84Å |
| 160 | K | 69.9 | Low | 72 | Confident | 140 Ų | 140 | 73 Ų | 73 | 61% | 0.609 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.6 | -29.2 | 179.9 | -165.6 | 167.7 | -175.7 | 168.7 | 0 | 113.1 | F148 K164 | F148-K160 HydrophobicContact CD2-CB 4.46Å; F148-K160 HydrophobicContact CE1-CB 4.47Å; F148-K160 HydrophobicContact CE1-CG 4.33Å; F148-K160 HydrophobicContact CE2-CB 3.78Å; F148-K160 HydrophobicContact CE2-CG 4.49Å; F148-K160 HydrophobicContact CZ-CB 3.78Å; F148-K160 HydrophobicContact CZ-CD 4.27Å; F148-K160 HydrophobicContact CZ-CG 4.08Å; K160-K164 PolarHBondContact O-N 3.42Å; K160-K164 VanDerWaalsContact O-N 3.07Å |
| 161 | L | 68.6 | Low | 71.6 | Confident | 126 Ų | 126 | 74.5 Ų | 74.5 | 66% | 0.66 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -79.2 | -28.3 | 175.1 | -175.1 | 63.8 | 0 | 0 | 0 | 113.3 | T159 R165 | T159-L161 PolarHBondContact O-N 3.18Å; T159-L161 VanDerWaalsContact O-N 3.16Å; L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 PolarHBondContact O-N 3.25Å |
| 162 | G | 71.9 | Confident | 70.9 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.2 | -48.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | T159 R165 H166 | T159-G162 WeakPolarHBondContact O-CA 3.43Å; T159-G162 PolarHBondContact O-N 2.84Å; G162-R165 PolarHBondContact O-N 3.48Å; G162-H166 PolarHBondContact O-N 2.87Å |
| 163 | Y | 75.9 | Confident | 70.6 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -54.7 | -56.6 | 176.3 | -177.9 | -111.5 | 0 | 0 | 0 | 113.1 | F148 K149 C150 Y157 T159 R165 H166 V167 | F148-Y163 HydrophobicContact CB-CD1 4.21Å; F148-Y163 HydrophobicContact CB-CD2 3.57Å; F148-Y163 HydrophobicContact CB-CE2 4.29Å; F148-Y163 HydrophobicContact CB-CG 3.53Å; F148-Y163 HydrophobicContact CG-CG 4.19Å; K149-Y163 WeakPolarHBondContact O-CE2 3.45Å; C150-Y163 HydrophobicContact CB-CE2 4.36Å; Y157-Y163 HydrophobicContact CD2-CD2 4.45Å; T159-Y163 PolarHBondContact O-N 2.84Å; Y163-R165 PolarHBondContact O-N 2.95Å; Y163-H166 WeakPolarHBondContact O-CB 3.35Å; Y163-H166 PolarHBondContact O-N 3.18Å; Y163-V167 HydrophobicContact CD1-CG2 4.39Å; Y163-V167 HydrophobicContact CD2-CG2 4.22Å; Y163-V167 HydrophobicContact CE1-CG2 3.94Å; Y163-V167 HydrophobicContact CE2-CG2 3.74Å; Y163-V167 PolarHBondContact O-N 3.29Å |
| 164 | K | 71.3 | Confident | 70.1 | Confident | 148 Ų | 148 | 66 Ų | 66 | 64% | 0.643 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57 | -35.1 | 179.6 | -81.3 | -159.7 | 168.1 | -157.4 | 0 | 113.5 | K160 A168 | K160-K164 PolarHBondContact O-N 3.42Å; K160-K164 VanDerWaalsContact O-N 3.07Å; K164-A168 PolarHBondContact O-N 3.01Å |
| 165 | R | 71.5 | Confident | 69.6 | Low | 88 Ų | 88 | 66.7 Ų | 66.7 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.7 | -34.9 | 177 | -167.1 | -173.8 | -43.9 | 162.8 | 21.1 | 112.2 | L161 G162 Y163 H199 | L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 PolarHBondContact O-N 3.25Å; G162-R165 PolarHBondContact O-N 3.48Å; Y163-R165 PolarHBondContact O-N 2.95Å; R165-H199 WeakPolarHBondContact CD-O 3.45Å; R165-H199 PolarHBondContact NH1-O 2.99Å |
| 166 | H | 77.3 | Confident | 69.3 | Low | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.2 | -42.6 | 177.2 | 169.1 | 43 | 0 | 0 | 0 | 112.4 | C150 C153 Y157 G162 Y163 A168 M169 H170 | C150-H166 WeakPolarHBondContact CB-NE2 3.23Å; C153-H166 PolarHBondContact SG-CE1 3.32Å; C153-H166 PolarHBondContact SG-NE2 3.14Å; Y157-H166 AromaticContact CD2-CD2 3.86Å; Y157-H166 HydrophobicContact CE1-CB 4Å; Y157-H166 HydrophobicContact CE2-CB 4Å; Y157-H166 AromaticContact CE2-CD2 3.01Å; Y157-H166 WeakPolarHBondContact CE2-CD2 3.35Å; Y157-H166 AromaticContact CE2-CG 3.6Å; Y157-H166 AromaticContact CE2-NE2 3.67Å; Y157-H166 AromaticContact CZ-CD2 3.4Å; Y157-H166 VanDerWaalsContact CZ-CD2 3.4Å; Y157-H166 AromaticContact CZ-CG 3.46Å; Y157-H166 VanDerWaalsContact CZ-CG 3.46Å; Y157-H166 PolarHBondContact OH-CD2 2.82Å; Y157-H166 VanDerWaalsContact OH-CG 3.26Å; G162-H166 PolarHBondContact O-N 2.87Å; Y163-H166 WeakPolarHBondContact O-CB 3.35Å; Y163-H166 PolarHBondContact O-N 3.18Å; H166-A168 PolarHBondContact O-N 3Å; H166-M169 WeakPolarHBondContact O-CA 3.01Å; H166-M169 VanDerWaalsContact O-CB 3.22Å; H166-M169 WeakPolarHBondContact O-CB 3.49Å; H166-M169 PolarHBondContact O-N 3.41Å; H166-H170 AromaticContact CE1-CD2 3.41Å; H166-H170 PolarHBondContact CE1-CD2 3.5Å; H166-H170 VanDerWaalsContact CE1-CD2 3.41Å; H166-H170 AromaticContact CE1-NE2 3.16Å; H166-H170 PolarHBondContact CE1-NE2 2.86Å; H166-H170 AromaticContact ND1-CD2 3.94Å; H166-H170 AromaticContact NE2-CD2 3.91Å; H166-H170 AromaticContact NE2-NE2 3.67Å; H166-H170 PolarHBondContact O-N 3.19Å |
| 167 | V | 74.9 | Confident | 69.3 | Low | 49 Ų | 49 | 61.2 Ų | 61.2 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.8 | -34 | 174.1 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | Y163 M169 H170 S171 | Y163-V167 HydrophobicContact CD1-CG2 4.39Å; Y163-V167 HydrophobicContact CD2-CG2 4.22Å; Y163-V167 HydrophobicContact CE1-CG2 3.94Å; Y163-V167 HydrophobicContact CE2-CG2 3.74Å; Y163-V167 PolarHBondContact O-N 3.29Å; V167-M169 PolarHBondContact O-N 3.45Å; V167-H170 WeakPolarHBondContact O-CA 3.44Å; V167-H170 WeakPolarHBondContact O-CB 3.5Å; V167-H170 PolarHBondContact O-N 2.94Å; V167-S171 PolarHBondContact O-N 2.97Å; V167-S171 PolarHBondContact O-OG 3.02Å |
| 168 | A | 70 | Confident | 68.7 | Low | 10 Ų | 10 | 60.8 Ų | 60.8 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -15.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K164 H166 A172 K180 V181 L196 | K164-A168 PolarHBondContact O-N 3.01Å; H166-A168 PolarHBondContact O-N 3Å; A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 2.66Å; A168-K180 HydrophobicContact CB-CB 4.36Å; A168-V181 HydrophobicContact CB-CG2 4.44Å; A168-L196 WeakPolarHBondContact O-CD1 3.44Å |
| 169 | M | 66.5 | Low | 68.6 | Low | 56 Ų | 56 | 56.8 Ų | 56.8 | 28% | 0.276 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -80.8 | -24.3 | 169.1 | -53.7 | 179.5 | 65.2 | 0 | 0 | 112.7 | H166 V167 T173 L193 L196 | H166-M169 WeakPolarHBondContact O-CA 3.01Å; H166-M169 VanDerWaalsContact O-CB 3.22Å; H166-M169 WeakPolarHBondContact O-CB 3.49Å; H166-M169 PolarHBondContact O-N 3.41Å; V167-M169 PolarHBondContact O-N 3.45Å; M169-T173 PolarHBondContact O-N 3.1Å; M169-T173 PolarHBondContact O-OG1 3.34Å; M169-L193 HydrophobicContact CB-CD2 4.41Å; M169-L193 HydrophobicContact CE-CD2 4.45Å; M169-L196 HydrophobicContact CB-CD1 4.38Å; M169-L196 HydrophobicContact CG-CB 4.17Å; M169-L196 HydrophobicContact CG-CD1 4.12Å |
| 170 | H | 67.3 | Low | 68.2 | Low | 25 Ų | 25 | 59.8 Ų | 59.8 | 12% | 0.116 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.4 | -46.6 | 174.9 | -82.8 | -78.1 | 0 | 0 | 0 | 111 | E152 C153 H166 V167 A172 T173 A174 | E152-H170 WeakPolarHBondContact OE1-CB 3.18Å; E152-H170 IonicContact OE1-CE1 2.84Å; E152-H170 IonicContact OE1-CG 2.7Å; E152-H170 IonicContact OE1-ND1 2.66Å; E152-H170 PolarHBondContact OE1-ND1 3.03Å; E152-H170 WeakPolarHBondContact OE2-CB 3.38Å; E152-H170 IonicContact OE2-CG 2.69Å; E152-H170 IonicContact OE2-ND1 3.75Å; C153-H170 PolarHBondContact SG-NE2 2.96Å; H166-H170 AromaticContact CE1-CD2 3.41Å; H166-H170 PolarHBondContact CE1-CD2 3.5Å; H166-H170 VanDerWaalsContact CE1-CD2 3.41Å; H166-H170 AromaticContact CE1-NE2 3.16Å; H166-H170 PolarHBondContact CE1-NE2 2.86Å; H166-H170 AromaticContact ND1-CD2 3.94Å; H166-H170 AromaticContact NE2-CD2 3.91Å; H166-H170 AromaticContact NE2-NE2 3.67Å; H166-H170 PolarHBondContact O-N 3.19Å; V167-H170 WeakPolarHBondContact O-CA 3.44Å; V167-H170 WeakPolarHBondContact O-CB 3.5Å; V167-H170 PolarHBondContact O-N 2.94Å; H170-A172 VanDerWaalsContact C-N 3.26Å; H170-A172 PolarHBondContact O-N 2.91Å; H170-T173 WeakPolarHBondContact O-CA 3.43Å; H170-T173 WeakPolarHBondContact O-CB 3.34Å; H170-T173 PolarHBondContact O-N 3.34Å; H170-A174 PolarHBondContact O-N 3.21Å |
| 171 | S | 69.3 | Low | 67.7 | Low | 35 Ų | 35 | 56.4 Ų | 56.4 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -51.5 | -46.6 | 169.4 | -44.1 | 0 | 0 | 0 | 0 | 111.8 | V167 T173 A174 D176 | V167-S171 PolarHBondContact O-N 2.97Å; V167-S171 PolarHBondContact O-OG 3.02Å; S171-T173 PolarHBondContact O-N 2.97Å; S171-A174 PolarHBondContact O-N 3.23Å; S171-A174 VanDerWaalsContact O-N 3.14Å; S171-D176 WeakPolarHBondContact O-CB 3.46Å; S171-D176 PolarHBondContact O-N 2.6Å |
| 172 | A | 61.7 | Low | 67.3 | Low | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A168 H170 T189 L192 L193 L196 | A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 2.66Å; H170-A172 VanDerWaalsContact C-N 3.26Å; H170-A172 PolarHBondContact O-N 2.91Å; A172-T189 WeakPolarHBondContact O-CG2 3.3Å; A172-L192 HydrophobicContact CB-CD1 4.5Å; A172-L192 HydrophobicContact CB-CD2 3.33Å; A172-L192 HydrophobicContact CB-CG 3.6Å; A172-L193 HydrophobicContact CB-CD2 4.34Å; A172-L196 HydrophobicContact CB-CD1 3.43Å; A172-L196 VanDerWaalsContact CB-CD1 3.43Å |
| 173 | T | 61.7 | Low | 66.9 | Low | 82 Ų | 82 | 60 Ų | 60 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -33.4 | 175.9 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | M169 H170 S171 G175 | M169-T173 PolarHBondContact O-N 3.1Å; M169-T173 PolarHBondContact O-OG1 3.34Å; H170-T173 WeakPolarHBondContact O-CA 3.43Å; H170-T173 WeakPolarHBondContact O-CB 3.34Å; H170-T173 PolarHBondContact O-N 3.34Å; S171-T173 PolarHBondContact O-N 2.97Å; T173-G175 PolarHBondContact O-N 3.16Å; T173-G175 VanDerWaalsContact O-N 3.16Å |
| 174 | A | 63.8 | Low | 66.2 | Low | 84 Ų | 84 | 62.1 Ų | 62.1 | 69% | 0.694 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 11.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | H170 S171 | H170-A174 PolarHBondContact O-N 3.21Å; S171-A174 PolarHBondContact O-N 3.23Å; S171-A174 VanDerWaalsContact O-N 3.14Å |
| 175 | G | 63.1 | Low | 65.9 | Low | 48 Ų | 48 | 59.3 Ų | 59.3 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -3.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T173 L177 | T173-G175 PolarHBondContact O-N 3.16Å; T173-G175 VanDerWaalsContact O-N 3.16Å; G175-L177 VanDerWaalsContact C-N 3.33Å; G175-L177 PolarHBondContact O-N 3.24Å |
| 176 | D | 66.1 | Low | 65.9 | Low | 62 Ų | 62 | 57.3 Ų | 57.3 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | trans | -77.8 | 82.4 | 178.8 | -145.3 | -9.9 | 0 | 0 | 0 | 109.4 | S171 T178 K180 L192 | S171-D176 WeakPolarHBondContact O-CB 3.46Å; S171-D176 PolarHBondContact O-N 2.6Å; D176-T178 PolarHBondContact O-N 2.77Å; D176-T178 PolarHBondContact OD1-OG1 2.77Å; D176-K180 IonicContact OD1-NZ 3.65Å; D176-K180 PolarHBondContact OD1-NZ 3.15Å; D176-K180 WeakPolarHBondContact OD2-CE 3.48Å; D176-K180 IonicContact OD2-NZ 3.39Å; D176-K180 PolarHBondContact OD2-NZ 3.07Å; D176-L192 WeakPolarHBondContact O-CD2 3.44Å | ||
| 177 | L | 73.5 | Confident | 65.6 | Low | 56 Ų | 56 | 64.9 Ų | 64.9 | 29% | 0.293 | 37% | 0.371 | S | S | . | . | trans | -64.9 | 9.4 | -176.2 | -62.2 | -178.1 | 0 | 0 | 0 | 114.4 | G175 S185 Y186 S188 T189 | G175-L177 VanDerWaalsContact C-N 3.33Å; G175-L177 PolarHBondContact O-N 3.24Å; L177-S185 CarbonylContact O-C 3.46Å; L177-S185 WeakPolarHBondContact O-CA 2.85Å; L177-Y186 WeakPolarHBondContact CB-O 3.47Å; L177-Y186 WeakPolarHBondContact CD1-O 3.46Å; L177-Y186 PolarHBondContact O-N 2.94Å; L177-S188 VanDerWaalsContact CD2-C 3.46Å; L177-T189 HydrophobicContact CD2-CG2 3.69Å | ||
| 178 | T | 61.8 | Low | 65.5 | Low | 51 Ų | 51 | 64.3 Ų | 64.3 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -103.7 | 121.2 | 178.1 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | D176 K180 | D176-T178 PolarHBondContact O-N 2.77Å; D176-T178 PolarHBondContact OD1-OG1 2.77Å; T178-K180 PolarHBondContact O-N 2.82Å; T178-K180 PolarHBondContact OG1-NZ 3.2Å |
| 179 | C | 65.6 | Low | 65.4 | Low | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.007 | 38% | 0.38 | C | S | . | . | trans | -71.5 | 104.7 | 174.5 | -179 | 0 | 0 | 0 | 0 | 110.5 | V181 C182 M183 Q184 Y186 L192 L196 | C179-V181 PolarHBondContact O-N 2.7Å; C179-C182 WeakPolarHBondContact CB-SG 3.41Å; C179-C182 PolarHBondContact O-N 3.18Å; C179-M183 VanDerWaalsContact O-CA 3.28Å; C179-M183 WeakPolarHBondContact O-CA 3.28Å; C179-M183 PolarHBondContact O-N 3.27Å; C179-Q184 PolarHBondContact N-O 2.99Å; C179-Y186 HydrophobicContact CB-CE2 4Å; C179-L192 HydrophobicContact CB-CD1 3.56Å; C179-L196 WeakPolarHBondContact SG-CD2 3.45Å | ||
| 180 | K | 60.8 | Low | 65.7 | Low | 109 Ų | 109 | 67.7 Ų | 67.7 | 47% | 0.474 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 5.8 | 178.2 | -45.1 | -58 | -175 | -171.6 | 0 | 115.3 | A168 D176 T178 | A168-K180 HydrophobicContact CB-CB 4.36Å; D176-K180 IonicContact OD1-NZ 3.65Å; D176-K180 PolarHBondContact OD1-NZ 3.15Å; D176-K180 WeakPolarHBondContact OD2-CE 3.48Å; D176-K180 IonicContact OD2-NZ 3.39Å; D176-K180 PolarHBondContact OD2-NZ 3.07Å; T178-K180 PolarHBondContact O-N 2.82Å; T178-K180 PolarHBondContact OG1-NZ 3.2Å |
| 181 | V | 58.8 | Low | 66 | Low | 70 Ų | 70 | 69 Ų | 69 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -30.5 | 177.9 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | A168 C179 L196 | A168-V181 HydrophobicContact CB-CG2 4.44Å; C179-V181 PolarHBondContact O-N 2.7Å; V181-L196 HydrophobicContact CG2-CD2 4.38Å |
| 182 | C | 60.5 | Low | 66.2 | Low | 46 Ų | 46 | 67.4 Ų | 67.4 | 31% | 0.311 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -2.3 | 178.9 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | C179 Q184 H195 | C179-C182 WeakPolarHBondContact CB-SG 3.41Å; C179-C182 PolarHBondContact O-N 3.18Å; C182-Q184 PolarHBondContact O-N 3.45Å; C182-Q184 VanDerWaalsContact O-N 3.15Å; C182-H195 PolarHBondContact SG-NE2 3.3Å |
| 183 | M | 64 | Low | 66.5 | Low | 170 Ų | 170 | 69.9 Ų | 69.9 | 84% | 0.837 | 40% | 0.404 | S | S | * | . | trans | 60.9 | 10.5 | -177.5 | -57.6 | -179.6 | 68.2 | 0 | 0 | 115.9 | C179 | C179-M183 VanDerWaalsContact O-CA 3.28Å; C179-M183 WeakPolarHBondContact O-CA 3.28Å; C179-M183 PolarHBondContact O-N 3.27Å | ||
| 184 | Q | 59.8 | Low | 67 | Low | 104 Ų | 104 | 71 Ų | 71 | 49% | 0.486 | 40% | 0.404 | S | S | . | . | trans | -74.4 | 135.5 | 173.1 | -64.9 | -179.2 | -4.7 | 0 | 0 | 111 | C179 C182 Y186 | C179-Q184 PolarHBondContact N-O 2.99Å; C182-Q184 PolarHBondContact O-N 3.45Å; C182-Q184 VanDerWaalsContact O-N 3.15Å; Q184-Y186 HydrophobicContact CB-CE2 3.98Å; Q184-Y186 VanDerWaalsContact CB-OH 3.29Å; Q184-Y186 WeakPolarHBondContact CB-OH 3.4Å; Q184-Y186 WeakPolarHBondContact O-CE2 3.37Å; Q184-Y186 PolarHBondContact OE1-OH 3.07Å | ||
| 185 | S | 66.5 | Low | 67.5 | Low | 89 Ų | 89 | 67.7 Ų | 67.7 | 62% | 0.622 | 37% | 0.374 | S | S | * | . | B | Isolated β-bridge | trans | -84 | 156.8 | 165.4 | 46.8 | 0 | 0 | 0 | 0 | 111.4 | L177 | L177-S185 CarbonylContact O-C 3.46Å; L177-S185 WeakPolarHBondContact O-CA 2.85Å |
| 186 | Y | 71.7 | Confident | 67.6 | Low | 46 Ų | 46 | 65.5 Ų | 65.5 | 18% | 0.18 | 35% | 0.351 | C | S | . | . | trans | -133.2 | 164.5 | 174.3 | -60.9 | -81.2 | 0 | 0 | 0 | 110.2 | L177 C179 Q184 V191 L192 H195 | L177-Y186 WeakPolarHBondContact CB-O 3.47Å; L177-Y186 WeakPolarHBondContact CD1-O 3.46Å; L177-Y186 PolarHBondContact O-N 2.94Å; C179-Y186 HydrophobicContact CB-CE2 4Å; Q184-Y186 HydrophobicContact CB-CE2 3.98Å; Q184-Y186 VanDerWaalsContact CB-OH 3.29Å; Q184-Y186 WeakPolarHBondContact CB-OH 3.4Å; Q184-Y186 WeakPolarHBondContact O-CE2 3.37Å; Q184-Y186 PolarHBondContact OE1-OH 3.07Å; Y186-V191 HydrophobicContact CD1-CG1 3.77Å; Y186-V191 HydrophobicContact CG-CG1 4.32Å; Y186-L192 HydrophobicContact CD2-CB 3.8Å; Y186-L192 HydrophobicContact CD2-CD1 3.54Å; Y186-L192 HydrophobicContact CD2-CG 4.14Å; Y186-L192 HydrophobicContact CE2-CD1 3.67Å; Y186-L192 HydrophobicContact CG-CB 4.15Å; Y186-H195 HydrophobicContact CE1-CB 4.23Å; Y186-H195 HydrophobicContact CE2-CB 4.22Å; Y186-H195 AromaticContact CE2-CD2 3.77Å; Y186-H195 AromaticContact CE2-CG 3.96Å; Y186-H195 AromaticContact CZ-CD2 3.67Å; Y186-H195 AromaticContact CZ-CG 3.5Å; Y186-H195 AromaticContact CZ-ND1 3.91Å; Y186-H195 PolarHBondContact OH-CD2 2.85Å; Y186-H195 PolarHBondContact OH-CE1 3.36Å; Y186-H195 PolarHBondContact OH-ND1 2.94Å; Y186-H195 PolarHBondContact OH-NE2 3.42Å | ||
| 187 | E | 71 | Confident | 67.8 | Low | 169 Ų | 169 | 68.3 Ų | 68.3 | 79% | 0.79 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -81 | -18.5 | 179.3 | 69.4 | -150.5 | 147.7 | 0 | 0 | 113.7 | ||
| 188 | S | 71.3 | Confident | 67.3 | Low | 36 Ų | 36 | 67.2 Ų | 67.2 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -155.8 | 153 | -175.8 | 68.8 | 0 | 0 | 0 | 0 | 113.6 | L177 V191 L192 | L177-S188 VanDerWaalsContact CD2-C 3.46Å; S188-V191 PolarHBondContact O-N 2.84Å; S188-V191 WeakPolarHBondContact OG-CG2 3.43Å; S188-L192 PolarHBondContact O-N 3.14Å; S188-L192 VanDerWaalsContact O-N 3.16Å |
| 189 | T | 69.5 | Low | 67.3 | Low | 53 Ų | 53 | 67.1 Ų | 67.1 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 178.5 | 56 | 0 | 0 | 0 | 0 | 114.4 | A172 L177 V191 L192 L193 | A172-T189 WeakPolarHBondContact O-CG2 3.3Å; L177-T189 HydrophobicContact CD2-CG2 3.69Å; T189-V191 PolarHBondContact O-N 3.46Å; T189-L192 PolarHBondContact O-N 3.5Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 VanDerWaalsContact O-CG 3.3Å; T189-L193 WeakPolarHBondContact O-CG 3.39Å; T189-L193 PolarHBondContact O-N 3.12Å |
| 190 | P | 73.1 | Confident | 66.9 | Low | 84 Ų | 84 | 70.8 Ų | 70.8 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 175.8 | 23.1 | -34.7 | 0 | 0 | 0 | 113.2 | L193 E194 | P190-L193 PolarHBondContact O-N 2.83Å; P190-E194 PolarHBondContact O-N 3.39Å |
| 191 | V | 72.6 | Confident | 66.6 | Low | 54 Ų | 54 | 68.6 Ų | 68.6 | 33% | 0.327 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 178.3 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | Y186 S188 T189 E194 H195 | Y186-V191 HydrophobicContact CD1-CG1 3.77Å; Y186-V191 HydrophobicContact CG-CG1 4.32Å; S188-V191 PolarHBondContact O-N 2.84Å; S188-V191 WeakPolarHBondContact OG-CG2 3.43Å; T189-V191 PolarHBondContact O-N 3.46Å; V191-E194 PolarHBondContact O-N 2.93Å; V191-H195 WeakPolarHBondContact O-CB 3.25Å; V191-H195 PolarHBondContact O-N 3.16Å |
| 192 | L | 72.5 | Confident | 66.1 | Low | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 173.4 | 173 | 57.7 | 0 | 0 | 0 | 112.5 | A172 D176 C179 Y186 S188 T189 H195 L196 | A172-L192 HydrophobicContact CB-CD1 4.5Å; A172-L192 HydrophobicContact CB-CD2 3.33Å; A172-L192 HydrophobicContact CB-CG 3.6Å; D176-L192 WeakPolarHBondContact O-CD2 3.44Å; C179-L192 HydrophobicContact CB-CD1 3.56Å; Y186-L192 HydrophobicContact CD2-CB 3.8Å; Y186-L192 HydrophobicContact CD2-CD1 3.54Å; Y186-L192 HydrophobicContact CD2-CG 4.14Å; Y186-L192 HydrophobicContact CE2-CD1 3.67Å; Y186-L192 HydrophobicContact CG-CB 4.15Å; S188-L192 PolarHBondContact O-N 3.14Å; S188-L192 VanDerWaalsContact O-N 3.16Å; T189-L192 PolarHBondContact O-N 3.5Å; L192-H195 WeakPolarHBondContact O-CB 3.13Å; L192-H195 PolarHBondContact O-N 2.85Å; L192-L196 HydrophobicContact CD1-CD1 3.9Å; L192-L196 HydrophobicContact CD1-CG 3.96Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.5Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.43Å |
| 193 | L | 69.9 | Low | 65.3 | Low | 53 Ų | 53 | 75.7 Ų | 75.7 | 28% | 0.277 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 176.9 | -75 | 170.2 | 0 | 0 | 0 | 112.2 | M169 A172 T189 P190 L196 K197 | M169-L193 HydrophobicContact CB-CD2 4.41Å; M169-L193 HydrophobicContact CE-CD2 4.45Å; A172-L193 HydrophobicContact CB-CD2 4.34Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 VanDerWaalsContact O-CG 3.3Å; T189-L193 WeakPolarHBondContact O-CG 3.39Å; T189-L193 PolarHBondContact O-N 3.12Å; P190-L193 PolarHBondContact O-N 2.83Å; L193-L196 PolarHBondContact O-N 2.89Å; L193-K197 PolarHBondContact O-N 3.1Å |
| 194 | E | 71.6 | Confident | 64.6 | Low | 106 Ų | 106 | 71 Ų | 71 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 170 | -178.1 | 151.3 | -112.2 | 0 | 0 | 111.9 | P190 V191 L196 K197 S198 | P190-E194 PolarHBondContact O-N 3.39Å; V191-E194 PolarHBondContact O-N 2.93Å; E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 2.95Å; E194-K197 WeakPolarHBondContact O-CA 3.45Å; E194-K197 WeakPolarHBondContact O-CB 3.21Å; E194-K197 PolarHBondContact O-N 2.8Å; E194-K197 VanDerWaalsContact O-N 3.09Å; E194-S198 PolarHBondContact O-N 3.42Å |
| 195 | H | 72.9 | Confident | 64 | Low | 14 Ų | 14 | 69.3 Ų | 69.3 | 7% | 0.065 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 172.7 | 177.6 | 70.4 | 0 | 0 | 0 | 112.4 | C182 Y186 V191 L192 K197 S198 H199 | C182-H195 PolarHBondContact SG-NE2 3.3Å; Y186-H195 HydrophobicContact CE1-CB 4.23Å; Y186-H195 HydrophobicContact CE2-CB 4.22Å; Y186-H195 AromaticContact CE2-CD2 3.77Å; Y186-H195 AromaticContact CE2-CG 3.96Å; Y186-H195 AromaticContact CZ-CD2 3.67Å; Y186-H195 AromaticContact CZ-CG 3.5Å; Y186-H195 AromaticContact CZ-ND1 3.91Å; Y186-H195 PolarHBondContact OH-CD2 2.85Å; Y186-H195 PolarHBondContact OH-CE1 3.36Å; Y186-H195 PolarHBondContact OH-ND1 2.94Å; Y186-H195 PolarHBondContact OH-NE2 3.42Å; V191-H195 WeakPolarHBondContact O-CB 3.25Å; V191-H195 PolarHBondContact O-N 3.16Å; L192-H195 WeakPolarHBondContact O-CB 3.13Å; L192-H195 PolarHBondContact O-N 2.85Å; H195-K197 VanDerWaalsContact C-N 3.29Å; H195-K197 PolarHBondContact O-N 2.64Å; H195-S198 WeakPolarHBondContact O-CA 3.37Å; H195-S198 WeakPolarHBondContact O-CB 3.41Å; H195-S198 PolarHBondContact O-N 3.2Å; H195-S198 PolarHBondContact O-OG 3.13Å; H195-H199 AromaticContact CD2-CD2 3.86Å; H195-H199 AromaticContact CD2-NE2 3.73Å; H195-H199 AromaticContact CE1-NE2 3.55Å; H195-H199 AromaticContact NE2-CD2 3.44Å; H195-H199 PolarHBondContact NE2-CD2 3.28Å; H195-H199 AromaticContact NE2-NE2 2.86Å; H195-H199 PolarHBondContact NE2-NE2 3.1Å; H195-H199 PolarHBondContact O-N 3.08Å |
| 196 | L | 66.4 | Low | 62.5 | Low | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.6 | -28 | 175.8 | -74.5 | 168.6 | 0 | 0 | 0 | 112.9 | A168 M169 A172 C179 V181 L192 L193 E194 S198 H199 S200 | A168-L196 WeakPolarHBondContact O-CD1 3.44Å; M169-L196 HydrophobicContact CB-CD1 4.38Å; M169-L196 HydrophobicContact CG-CB 4.17Å; M169-L196 HydrophobicContact CG-CD1 4.12Å; A172-L196 HydrophobicContact CB-CD1 3.43Å; A172-L196 VanDerWaalsContact CB-CD1 3.43Å; C179-L196 WeakPolarHBondContact SG-CD2 3.45Å; V181-L196 HydrophobicContact CG2-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CD1 3.9Å; L192-L196 HydrophobicContact CD1-CG 3.96Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.5Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.43Å; L193-L196 PolarHBondContact O-N 2.89Å; E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 2.95Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 PolarHBondContact O-N 2.81Å; L196-H199 CarbonylContact O-C 3.51Å; L196-H199 WeakPolarHBondContact O-CB 3.44Å; L196-H199 PolarHBondContact O-N 3.11Å; L196-S200 PolarHBondContact O-N 3.38Å |
| 197 | K | 69.5 | Low | 61.3 | Low | 121 Ų | 121 | 70.9 Ų | 70.9 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.2 | -32.8 | 168.5 | -148.2 | 173.2 | -177.4 | 177.9 | 0 | 111.9 | L193 E194 H195 S200 G201 | L193-K197 PolarHBondContact O-N 3.1Å; E194-K197 WeakPolarHBondContact O-CA 3.45Å; E194-K197 WeakPolarHBondContact O-CB 3.21Å; E194-K197 PolarHBondContact O-N 2.8Å; E194-K197 VanDerWaalsContact O-N 3.09Å; H195-K197 VanDerWaalsContact C-N 3.29Å; H195-K197 PolarHBondContact O-N 2.64Å; K197-S200 WeakPolarHBondContact O-CA 3.42Å; K197-S200 VanDerWaalsContact O-CB 3.22Å; K197-S200 WeakPolarHBondContact O-CB 3.39Å; K197-S200 PolarHBondContact O-N 3.47Å; K197-S200 VanDerWaalsContact O-N 3.09Å; K197-G201 PolarHBondContact O-N 3.41Å |
| 198 | S | 64.4 | Low | 60.4 | Low | 33 Ų | 33 | 70.8 Ų | 70.8 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 172 | 89.9 | 0 | 0 | 0 | 0 | 112 | E194 H195 L196 S200 G201 | E194-S198 PolarHBondContact O-N 3.42Å; H195-S198 WeakPolarHBondContact O-CA 3.37Å; H195-S198 WeakPolarHBondContact O-CB 3.41Å; H195-S198 PolarHBondContact O-N 3.2Å; H195-S198 PolarHBondContact O-OG 3.13Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 PolarHBondContact O-N 2.81Å; S198-S200 VanDerWaalsContact C-N 3.26Å; S198-S200 PolarHBondContact O-N 3.03Å; S198-G201 PolarHBondContact O-N 3.06Å; S198-G201 VanDerWaalsContact O-N 3.14Å |
| 199 | H | 61.6 | Low | 59.6 | Low | 50 Ų | 50 | 74.5 Ų | 74.5 | 23% | 0.231 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.4 | -22.8 | 171.3 | -66.9 | -75.4 | 0 | 0 | 0 | 113.1 | R165 H195 L196 G201 | R165-H199 WeakPolarHBondContact CD-O 3.45Å; R165-H199 PolarHBondContact NH1-O 2.99Å; H195-H199 AromaticContact CD2-CD2 3.86Å; H195-H199 AromaticContact CD2-NE2 3.73Å; H195-H199 AromaticContact CE1-NE2 3.55Å; H195-H199 AromaticContact NE2-CD2 3.44Å; H195-H199 PolarHBondContact NE2-CD2 3.28Å; H195-H199 AromaticContact NE2-NE2 2.86Å; H195-H199 PolarHBondContact NE2-NE2 3.1Å; H195-H199 PolarHBondContact O-N 3.08Å; L196-H199 CarbonylContact O-C 3.51Å; L196-H199 WeakPolarHBondContact O-CB 3.44Å; L196-H199 PolarHBondContact O-N 3.11Å; H199-G201 PolarHBondContact O-N 3.42Å |
| 200 | S | 56.1 | Low | 59.4 | Low | 78 Ų | 78 | 76.7 Ų | 76.7 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.2 | 172.5 | -158.2 | 0 | 0 | 0 | 0 | 113.1 | L196 K197 S198 | L196-S200 PolarHBondContact O-N 3.38Å; K197-S200 WeakPolarHBondContact O-CA 3.42Å; K197-S200 VanDerWaalsContact O-CB 3.22Å; K197-S200 WeakPolarHBondContact O-CB 3.39Å; K197-S200 PolarHBondContact O-N 3.47Å; K197-S200 VanDerWaalsContact O-N 3.09Å; S198-S200 VanDerWaalsContact C-N 3.26Å; S198-S200 PolarHBondContact O-N 3.03Å |
| 201 | G | 55 | Low | 59.2 | Low | 63 Ų | 63 | 79.3 Ų | 79.3 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 16.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K197 S198 H199 | K197-G201 PolarHBondContact O-N 3.41Å; S198-G201 PolarHBondContact O-N 3.06Å; S198-G201 VanDerWaalsContact O-N 3.14Å; H199-G201 PolarHBondContact O-N 3.42Å |
| 202 | K | 48.4 | Very low | 59.3 | Low | 170 Ų | 170 | 79.4 Ų | 79.4 | 74% | 0.739 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -133.7 | 98 | 170.8 | -69.7 | 179.4 | -175.7 | 169.3 | 0 | 110.7 | ||
| 203 | S | 44.5 | Very low | 59.5 | Low | 95 Ų | 95 | 82.3 Ų | 82.3 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 58.7 | 120.5 | 168.2 | 49.2 | 0 | 0 | 0 | 0 | 119.2 | ||
| 204 | S | 48.9 | Very low | 59.8 | Low | 72 Ų | 72 | 80.2 Ų | 80.2 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | trans | 46.1 | 104.8 | 142.3 | 57.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 205 | S | 45.6 | Very low | 60.3 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | -148.2 | 162.8 | 102.4 | -167 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 206 | G | 35.8 | Very low | 60.5 | Low | 53 Ų | 53 | 85.8 Ų | 85.8 | 55% | 0.546 | 49% | 0.489 | S | S | . | . | S | Bend | trans | 98.8 | 129.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113 | K208 | G206-K208 VanDerWaalsContact C-N 3.27Å; G206-K208 PolarHBondContact O-N 3.35Å |
| 207 | A | 47.6 | Very low | 60.9 | Low | 115 Ų | 115 | 87.4 Ų | 87.4 | 95% | 0.95 | 50% | 0.5 | S | S | * | . | trans | -75.6 | 59.9 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E209 | A207-E209 PolarHBondContact O-N 3.44Å; A207-E209 VanDerWaalsContact O-N 3.1Å | ||
| 208 | K | 51.9 | Low | 60.9 | Low | 167 Ų | 167 | 89.2 Ų | 89.2 | 73% | 0.726 | 52% | 0.515 | S | S | * | . | trans | -74.5 | 100.8 | 166.8 | -159.6 | 165.7 | -164.6 | 163.7 | 0 | 108.9 | G206 K210 Y222 | G206-K208 VanDerWaalsContact C-N 3.27Å; G206-K208 PolarHBondContact O-N 3.35Å; K208-K210 PolarHBondContact O-N 2.82Å; K208-Y222 HydrophobicContact CB-CE1 4.47Å; K208-Y222 WeakPolarHBondContact O-CE1 3.32Å | ||
| 209 | E | 54.4 | Low | 60.7 | Low | 114 Ų | 114 | 94.9 Ų | 94.9 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | trans | -41.5 | 130.1 | 175.3 | -169.7 | -157.3 | 175.1 | 0 | 0 | 111.4 | A207 K211 | A207-E209 PolarHBondContact O-N 3.44Å; A207-E209 VanDerWaalsContact O-N 3.1Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 HydrophobicContact CB-CG 4.33Å; E209-K211 HydrophobicContact CG-CG 4.41Å; E209-K211 WeakPolarHBondContact O-CG 3.47Å; E209-K211 PolarHBondContact O-N 3.25Å; E209-K211 IonicContact OE2-NZ 2.86Å; E209-K211 PolarHBondContact OE2-NZ 3.35Å | ||
| 210 | K | 64.9 | Low | 61.1 | Low | 98 Ų | 98 | 99.3 Ų | 99.3 | 43% | 0.426 | 55% | 0.546 | S | S | . | . | trans | -78.3 | 78.6 | -179.6 | -68.8 | 166.2 | 175.5 | 175.1 | 0 | 109.3 | K208 H212 R220 F221 Y222 | K208-K210 PolarHBondContact O-N 2.82Å; K210-H212 PolarHBondContact O-N 2.91Å; K210-R220 HydrophobicContact CB-CB 3.48Å; K210-R220 VanDerWaalsContact CB-CB 3.48Å; K210-R220 HydrophobicContact CD-CB 4.29Å; K210-R220 WeakPolarHBondContact O-CB 3.4Å; K210-F221 CarbonylContact C-O 3.58Å; K210-Y222 WeakPolarHBondContact CE-OH 3.47Å; K210-Y222 HydrophobicContact CG-CD1 4.2Å; K210-Y222 HydrophobicContact CG-CE1 3.74Å; K210-Y222 HydrophobicContact CG-CE2 4.23Å | ||
| 211 | K | 67.8 | Low | 62 | Low | 139 Ų | 139 | 97.8 Ų | 97.8 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | trans | -64.9 | 0.1 | -168.3 | -65.4 | -168.2 | 179.5 | -78.2 | 0 | 116.7 | E209 | E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 HydrophobicContact CB-CG 4.33Å; E209-K211 HydrophobicContact CG-CG 4.41Å; E209-K211 WeakPolarHBondContact O-CG 3.47Å; E209-K211 PolarHBondContact O-N 3.25Å; E209-K211 IonicContact OE2-NZ 2.86Å; E209-K211 PolarHBondContact OE2-NZ 3.35Å | ||
| 212 | H | 75.9 | Confident | 62.4 | Low | 56 Ų | 56 | 100.2 Ų | 100.2 | 26% | 0.259 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 99 | -179 | -57.3 | -52.8 | 0 | 0 | 0 | 110.9 | K210 R220 F221 T223 R224 V227 | K210-H212 PolarHBondContact O-N 2.91Å; H212-R220 CarbonylContact O-C 3.51Å; H212-R220 WeakPolarHBondContact O-CA 3.46Å; H212-F221 PolarHBondContact N-O 2.86Å; H212-F221 PolarHBondContact O-N 3.46Å; H212-T223 VanDerWaalsContact CD2-CA 3.41Å; H212-T223 WeakPolarHBondContact CD2-CA 3.44Å; H212-R224 PolarHBondContact CD2-N 3.43Å; H212-R224 VanDerWaalsContact CD2-N 3.34Å; H212-V227 HydrophobicContact CB-CG2 3.61Å |
| 213 | P | 76.4 | Confident | 63.5 | Low | 61 Ų | 61 | 94.9 Ų | 94.9 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 172.4 | 171.7 | 31 | -35.5 | 0 | 0 | 0 | 111.8 | R220 V227 | P213-R220 HydrophobicContact CB-CG 4.26Å; P213-V227 WeakPolarHBondContact O-CG1 3.44Å; P213-V227 WeakPolarHBondContact O-CG2 3.39Å |
| 214 | C | 77.3 | Confident | 64.8 | Low | 9 Ų | 9 | 99.4 Ų | 99.4 | 6% | 0.061 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.4 | 166 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | H216 R219 F221 V227 H230 M231 H234 | C214-H216 PolarHBondContact O-N 3.2Å; C214-H216 VanDerWaalsContact O-N 3.16Å; C214-R219 WeakPolarHBondContact CB-O 3.29Å; C214-R219 PolarHBondContact N-O 3.13Å; C214-R219 VanDerWaalsContact N-O 3.11Å; C214-F221 HydrophobicContact CB-CE2 4.29Å; C214-V227 HydrophobicContact CB-CG1 4.36Å; C214-H230 VanDerWaalsContact SG-CD2 3.57Å; C214-M231 PolarHBondContact SG-SD 3.24Å; C214-H234 PolarHBondContact SG-NE2 3.08Å |
| 215 | D | 81.4 | Confident | 65.9 | Low | 126 Ų | 126 | 104 Ų | 104 | 67% | 0.674 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 3.4 | -172.6 | -40 | -71.7 | 0 | 0 | 0 | 113.1 | ||
| 216 | H | 76.3 | Confident | 67.3 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | -0.5 | -176.3 | -58.4 | -25.1 | 0 | 0 | 0 | 114 | C214 M231 H234 | C214-H216 PolarHBondContact O-N 3.2Å; C214-H216 VanDerWaalsContact O-N 3.16Å; H216-M231 WeakPolarHBondContact CD2-CE 3.4Å; H216-M231 WeakPolarHBondContact NE2-CE 3.44Å; H216-H234 VanDerWaalsContact C-CE1 3.5Å; H216-H234 HydrophobicContact CB-CB 4.21Å; H216-H234 AromaticContact CD2-CG 3.99Å; H216-H234 PolarHBondContact O-CE1 3.4Å |
| 217 | C | 75.3 | Confident | 69.1 | Low | 35 Ų | 35 | 100.6 Ų | 100.6 | 24% | 0.236 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 165.4 | 166.6 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | R219 H230 H234 | C217-R219 PolarHBondContact O-N 2.77Å; C217-H230 PolarHBondContact SG-NE2 3Å; C217-H234 WeakPolarHBondContact CB-CE1 3.5Å; C217-H234 PolarHBondContact SG-CE1 3.27Å; C217-H234 PolarHBondContact SG-NE2 3.22Å |
| 218 | D | 70.3 | Confident | 70.5 | Confident | 159 Ų | 159 | 104.7 Ų | 104.7 | 85% | 0.85 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 3.2 | -174.7 | -46.8 | -76.7 | 0 | 0 | 0 | 115.4 | R220 | D218-R220 PolarHBondContact O-N 3.37Å; D218-R220 VanDerWaalsContact O-N 3.15Å |
| 219 | R | 59.1 | Low | 71.5 | Confident | 153 Ų | 153 | 101.8 Ų | 101.8 | 58% | 0.577 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 112 | 179.5 | -71.4 | -176.7 | 164.9 | 163.1 | -0.7 | 110.7 | C214 C217 F221 | C214-R219 WeakPolarHBondContact CB-O 3.29Å; C214-R219 PolarHBondContact N-O 3.13Å; C214-R219 VanDerWaalsContact N-O 3.11Å; C217-R219 PolarHBondContact O-N 2.77Å; R219-F221 HydrophobicContact CB-CE2 3.62Å; R219-F221 HydrophobicContact CB-CZ 3.94Å; R219-F221 VanDerWaalsContact O-CD2 3.28Å; R219-F221 WeakPolarHBondContact O-CD2 3.46Å; R219-F221 WeakPolarHBondContact O-CE2 3.5Å |
| 220 | R | 70.3 | Confident | 72.5 | Confident | 142 Ų | 142 | 97.1 Ų | 97.1 | 54% | 0.536 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 145.3 | 174.1 | -58.8 | -175.1 | 177.2 | -129.9 | -2.3 | 112 | K210 H212 P213 D218 | K210-R220 HydrophobicContact CB-CB 3.48Å; K210-R220 VanDerWaalsContact CB-CB 3.48Å; K210-R220 HydrophobicContact CD-CB 4.29Å; K210-R220 WeakPolarHBondContact O-CB 3.4Å; H212-R220 CarbonylContact O-C 3.51Å; H212-R220 WeakPolarHBondContact O-CA 3.46Å; P213-R220 HydrophobicContact CB-CG 4.26Å; D218-R220 PolarHBondContact O-N 3.37Å; D218-R220 VanDerWaalsContact O-N 3.15Å |
| 221 | F | 75.8 | Confident | 72.8 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 20% | 0.202 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 161.9 | -172 | -64.9 | -92.3 | 0 | 0 | 0 | 112.5 | K210 H212 C214 R219 D226 V227 H230 | K210-F221 CarbonylContact C-O 3.58Å; H212-F221 PolarHBondContact N-O 2.86Å; H212-F221 PolarHBondContact O-N 3.46Å; C214-F221 HydrophobicContact CB-CE2 4.29Å; R219-F221 HydrophobicContact CB-CE2 3.62Å; R219-F221 HydrophobicContact CB-CZ 3.94Å; R219-F221 VanDerWaalsContact O-CD2 3.28Å; R219-F221 WeakPolarHBondContact O-CD2 3.46Å; R219-F221 WeakPolarHBondContact O-CE2 3.5Å; F221-D226 HydrophobicContact CB-CB 4.09Å; F221-D226 HydrophobicContact CD1-CB 3.85Å; F221-D226 HydrophobicContact CG-CB 4.28Å; F221-V227 HydrophobicContact CB-CG2 3.8Å; F221-V227 HydrophobicContact CD2-CG2 3.86Å; F221-V227 HydrophobicContact CG-CG2 4.08Å; F221-H230 HydrophobicContact CE1-CB 3.99Å; F221-H230 HydrophobicContact CE2-CB 3.97Å; F221-H230 AromaticContact CE2-CD2 3.28Å; F221-H230 WeakPolarHBondContact CE2-CD2 3.31Å; F221-H230 AromaticContact CE2-CG 3.82Å; F221-H230 HydrophobicContact CZ-CB 3.5Å; F221-H230 AromaticContact CZ-CD2 3.28Å; F221-H230 WeakPolarHBondContact CZ-CD2 3.38Å; F221-H230 AromaticContact CZ-CG 3.39Å |
| 222 | Y | 62.7 | Low | 73.1 | Confident | 115 Ų | 115 | 89.3 Ų | 89.3 | 45% | 0.451 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -85.4 | -20.4 | -178.1 | -62.5 | -77.6 | 0 | 0 | 0 | 114.1 | K208 K210 | K208-Y222 HydrophobicContact CB-CE1 4.47Å; K208-Y222 WeakPolarHBondContact O-CE1 3.32Å; K210-Y222 WeakPolarHBondContact CE-OH 3.47Å; K210-Y222 HydrophobicContact CG-CD1 4.2Å; K210-Y222 HydrophobicContact CG-CE1 3.74Å; K210-Y222 HydrophobicContact CG-CE2 4.23Å |
| 223 | T | 72.4 | Confident | 72.7 | Confident | 57 Ų | 57 | 91.3 Ų | 91.3 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -140 | 151.2 | 172.1 | 83.3 | 0 | 0 | 0 | 0 | 111.8 | H212 K225 D226 V227 | H212-T223 VanDerWaalsContact CD2-CA 3.41Å; H212-T223 WeakPolarHBondContact CD2-CA 3.44Å; T223-K225 PolarHBondContact O-N 2.97Å; T223-K225 VanDerWaalsContact O-N 3.16Å; T223-K225 PolarHBondContact OG1-N 2.66Å; T223-D226 WeakPolarHBondContact CB-OD2 3.32Å; T223-D226 WeakPolarHBondContact CG2-OD2 3.29Å; T223-D226 PolarHBondContact N-OD2 2.89Å; T223-D226 PolarHBondContact O-N 3.3Å; T223-D226 VanDerWaalsContact OG1-CG 3.22Å; T223-D226 PolarHBondContact OG1-N 2.86Å; T223-D226 PolarHBondContact OG1-OD2 3.35Å; T223-V227 PolarHBondContact O-N 3.22Å |
| 224 | R | 69.9 | Low | 72.4 | Confident | 190 Ų | 190 | 92.2 Ų | 92.2 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -56.4 | -25.7 | 169.7 | -73.7 | -175 | 172.6 | 171 | -3 | 113.3 | H212 D226 R228 | H212-R224 PolarHBondContact CD2-N 3.43Å; H212-R224 VanDerWaalsContact CD2-N 3.34Å; R224-D226 VanDerWaalsContact C-N 3.32Å; R224-R228 WeakPolarHBondContact O-CB 3.38Å; R224-R228 PolarHBondContact O-N 3.39Å |
| 225 | K | 72.8 | Confident | 72.3 | Confident | 168 Ų | 168 | 95.1 Ų | 95.1 | 73% | 0.73 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.5 | -32.3 | 174.9 | -66.7 | -170.8 | 177.3 | -173.5 | 0 | 111.7 | T223 R229 | T223-K225 PolarHBondContact O-N 2.97Å; T223-K225 VanDerWaalsContact O-N 3.16Å; T223-K225 PolarHBondContact OG1-N 2.66Å; K225-R229 WeakPolarHBondContact O-CB 3.49Å; K225-R229 PolarHBondContact O-N 3.4Å |
| 226 | D | 75.7 | Confident | 71.5 | Confident | 37 Ų | 37 | 91.6 Ų | 91.6 | 20% | 0.198 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -76.8 | -37 | 177.6 | -53.5 | -53.8 | 0 | 0 | 0 | 111.5 | F221 T223 R224 R229 H230 | F221-D226 HydrophobicContact CB-CB 4.09Å; F221-D226 HydrophobicContact CD1-CB 3.85Å; F221-D226 HydrophobicContact CG-CB 4.28Å; T223-D226 WeakPolarHBondContact CB-OD2 3.32Å; T223-D226 WeakPolarHBondContact CG2-OD2 3.29Å; T223-D226 PolarHBondContact N-OD2 2.89Å; T223-D226 PolarHBondContact O-N 3.3Å; T223-D226 VanDerWaalsContact OG1-CG 3.22Å; T223-D226 PolarHBondContact OG1-N 2.86Å; T223-D226 PolarHBondContact OG1-OD2 3.35Å; R224-D226 VanDerWaalsContact C-N 3.32Å; D226-R229 PolarHBondContact O-N 2.92Å; D226-R229 IonicContact OD1-CZ 3.39Å; D226-R229 VanDerWaalsContact OD1-CZ 3.24Å; D226-R229 IonicContact OD1-NH1 2.8Å; D226-R229 PolarHBondContact OD1-NH1 2.86Å; D226-R229 IonicContact OD1-NH2 3.17Å; D226-R229 PolarHBondContact OD1-NH2 3.37Å; D226-H230 WeakPolarHBondContact O-CB 3.26Å; D226-H230 PolarHBondContact O-N 3.49Å |
| 227 | V | 73.9 | Confident | 71 | Confident | 13 Ų | 13 | 94.4 Ų | 94.4 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.5 | -53.6 | 167.8 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | H212 P213 C214 F221 T223 R229 H230 M231 | H212-V227 HydrophobicContact CB-CG2 3.61Å; P213-V227 WeakPolarHBondContact O-CG1 3.44Å; P213-V227 WeakPolarHBondContact O-CG2 3.39Å; C214-V227 HydrophobicContact CB-CG1 4.36Å; F221-V227 HydrophobicContact CB-CG2 3.8Å; F221-V227 HydrophobicContact CD2-CG2 3.86Å; F221-V227 HydrophobicContact CG-CG2 4.08Å; T223-V227 PolarHBondContact O-N 3.22Å; V227-R229 PolarHBondContact O-N 3.44Å; V227-H230 CarbonylContact O-C 3.59Å; V227-H230 WeakPolarHBondContact O-CA 3.33Å; V227-H230 WeakPolarHBondContact O-CB 3.03Å; V227-H230 PolarHBondContact O-N 2.93Å; V227-M231 HydrophobicContact CG1-SD 4.1Å; V227-M231 WeakPolarHBondContact O-CG 3.47Å; V227-M231 PolarHBondContact O-N 2.8Å |
| 228 | R | 75.4 | Confident | 70.9 | Confident | 202 Ų | 202 | 98.3 Ų | 98.3 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.2 | -36.5 | 178.6 | -170.5 | 179.5 | -68.7 | -175.3 | -3.7 | 112.4 | R224 H230 | R224-R228 WeakPolarHBondContact O-CB 3.38Å; R224-R228 PolarHBondContact O-N 3.39Å; R228-H230 VanDerWaalsContact C-N 3.33Å |
| 229 | R | 73.8 | Confident | 71.1 | Confident | 105 Ų | 105 | 96.1 Ų | 96.1 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.2 | -27.6 | 173.8 | -157.5 | -165.8 | -55.1 | 100.4 | 1.2 | 112.7 | K225 D226 V227 R251 | K225-R229 WeakPolarHBondContact O-CB 3.49Å; K225-R229 PolarHBondContact O-N 3.4Å; D226-R229 PolarHBondContact O-N 2.92Å; D226-R229 IonicContact OD1-CZ 3.39Å; D226-R229 VanDerWaalsContact OD1-CZ 3.24Å; D226-R229 IonicContact OD1-NH1 2.8Å; D226-R229 PolarHBondContact OD1-NH1 2.86Å; D226-R229 IonicContact OD1-NH2 3.17Å; D226-R229 PolarHBondContact OD1-NH2 3.37Å; V227-R229 PolarHBondContact O-N 3.44Å; R229-R251 HydrophobicContact CG-CG 4.31Å |
| 230 | H | 75.9 | Confident | 72 | Confident | 16 Ų | 16 | 92.4 Ų | 92.4 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -79.2 | -33.3 | 174.7 | 175.8 | 35.2 | 0 | 0 | 0 | 113 | C214 C217 F221 D226 V227 R228 V232 V233 H234 | C214-H230 VanDerWaalsContact SG-CD2 3.57Å; C217-H230 PolarHBondContact SG-NE2 3Å; F221-H230 HydrophobicContact CE1-CB 3.99Å; F221-H230 HydrophobicContact CE2-CB 3.97Å; F221-H230 AromaticContact CE2-CD2 3.28Å; F221-H230 WeakPolarHBondContact CE2-CD2 3.31Å; F221-H230 AromaticContact CE2-CG 3.82Å; F221-H230 HydrophobicContact CZ-CB 3.5Å; F221-H230 AromaticContact CZ-CD2 3.28Å; F221-H230 WeakPolarHBondContact CZ-CD2 3.38Å; F221-H230 AromaticContact CZ-CG 3.39Å; D226-H230 WeakPolarHBondContact O-CB 3.26Å; D226-H230 PolarHBondContact O-N 3.49Å; V227-H230 CarbonylContact O-C 3.59Å; V227-H230 WeakPolarHBondContact O-CA 3.33Å; V227-H230 WeakPolarHBondContact O-CB 3.03Å; V227-H230 PolarHBondContact O-N 2.93Å; R228-H230 VanDerWaalsContact C-N 3.33Å; H230-V232 PolarHBondContact O-N 3.26Å; H230-V233 WeakPolarHBondContact ND1-CG2 3.35Å; H230-V233 VanDerWaalsContact O-CB 3.29Å; H230-V233 WeakPolarHBondContact O-CB 3.42Å; H230-V233 WeakPolarHBondContact O-CG2 3.3Å; H230-V233 PolarHBondContact O-N 2.63Å; H230-H234 AromaticContact CD2-NE2 3.42Å; H230-H234 PolarHBondContact CD2-NE2 2.86Å; H230-H234 AromaticContact CE1-NE2 3.27Å; H230-H234 PolarHBondContact CE1-NE2 2.79Å; H230-H234 VanDerWaalsContact CE1-NE2 3.27Å; H230-H234 AromaticContact NE2-CD2 3.94Å; H230-H234 AromaticContact NE2-NE2 2.63Å; H230-H234 PolarHBondContact NE2-NE2 3.32Å |
| 231 | M | 69.8 | Low | 72.5 | Confident | 36 Ų | 36 | 90 Ų | 90 | 18% | 0.177 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -52.2 | -28 | -179.7 | -61.1 | -50.8 | -81.6 | 0 | 0 | 113.4 | C214 H216 V227 V233 H234 T235 | C214-M231 PolarHBondContact SG-SD 3.24Å; H216-M231 WeakPolarHBondContact CD2-CE 3.4Å; H216-M231 WeakPolarHBondContact NE2-CE 3.44Å; V227-M231 HydrophobicContact CG1-SD 4.1Å; V227-M231 WeakPolarHBondContact O-CG 3.47Å; V227-M231 PolarHBondContact O-N 2.8Å; M231-V233 PolarHBondContact O-N 3.45Å; M231-V233 VanDerWaalsContact O-N 3.16Å; M231-H234 WeakPolarHBondContact O-CA 3.43Å; M231-H234 PolarHBondContact O-N 2.98Å; M231-T235 PolarHBondContact O-N 2.86Å; M231-T235 PolarHBondContact O-OG1 3.17Å |
| 232 | V | 74.6 | Confident | 72.8 | Confident | 38 Ų | 38 | 88.4 Ų | 88.4 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -53.8 | -28 | 171.9 | 179.6 | 0 | 0 | 0 | 0 | 113.9 | H230 H234 G236 G250 | H230-V232 PolarHBondContact O-N 3.26Å; V232-H234 VanDerWaalsContact C-N 3.32Å; V232-G236 PolarHBondContact O-N 2.93Å; V232-G250 VanDerWaalsContact CG1-CA 3.47Å; V232-G250 WeakPolarHBondContact CG1-O 3.47Å |
| 233 | V | 67.8 | Low | 73.7 | Confident | 98 Ų | 98 | 91 Ų | 91 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.9 | -32.7 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | H230 M231 | H230-V233 WeakPolarHBondContact ND1-CG2 3.35Å; H230-V233 VanDerWaalsContact O-CB 3.29Å; H230-V233 WeakPolarHBondContact O-CB 3.42Å; H230-V233 WeakPolarHBondContact O-CG2 3.3Å; H230-V233 PolarHBondContact O-N 2.63Å; M231-V233 PolarHBondContact O-N 3.45Å; M231-V233 VanDerWaalsContact O-N 3.16Å |
| 234 | H | 70.9 | Confident | 74.1 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 37% | 0.366 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -92.4 | -39.7 | -177.6 | -62.1 | -68.3 | 0 | 0 | 0 | 112.4 | C214 H216 C217 H230 M231 V232 G236 | C214-H234 PolarHBondContact SG-NE2 3.08Å; H216-H234 VanDerWaalsContact C-CE1 3.5Å; H216-H234 HydrophobicContact CB-CB 4.21Å; H216-H234 AromaticContact CD2-CG 3.99Å; H216-H234 PolarHBondContact O-CE1 3.4Å; C217-H234 WeakPolarHBondContact CB-CE1 3.5Å; C217-H234 PolarHBondContact SG-CE1 3.27Å; C217-H234 PolarHBondContact SG-NE2 3.22Å; H230-H234 AromaticContact CD2-NE2 3.42Å; H230-H234 PolarHBondContact CD2-NE2 2.86Å; H230-H234 AromaticContact CE1-NE2 3.27Å; H230-H234 PolarHBondContact CE1-NE2 2.79Å; H230-H234 VanDerWaalsContact CE1-NE2 3.27Å; H230-H234 AromaticContact NE2-CD2 3.94Å; H230-H234 AromaticContact NE2-NE2 2.63Å; H230-H234 PolarHBondContact NE2-NE2 3.32Å; M231-H234 WeakPolarHBondContact O-CA 3.43Å; M231-H234 PolarHBondContact O-N 2.98Å; V232-H234 VanDerWaalsContact C-N 3.32Å; H234-G236 VanDerWaalsContact C-N 3.31Å |
| 235 | T | 73.6 | Confident | 74.8 | Confident | 71 Ų | 71 | 85.4 Ų | 85.4 | 44% | 0.436 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -79.8 | -13.4 | 179.4 | 64 | 0 | 0 | 0 | 0 | 113.4 | M231 R237 | M231-T235 PolarHBondContact O-N 2.86Å; M231-T235 PolarHBondContact O-OG1 3.17Å; T235-R237 PolarHBondContact O-N 3.33Å |
| 236 | G | 66.1 | Low | 75 | Confident | 51 Ų | 51 | 82.2 Ų | 82.2 | 53% | 0.526 | 42% | 0.417 | S | S | . | . | trans | 63.5 | -0.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V232 H234 K238 | V232-G236 PolarHBondContact O-N 2.93Å; H234-G236 VanDerWaalsContact C-N 3.31Å; G236-K238 PolarHBondContact O-N 2.98Å | ||
| 237 | R | 65.8 | Low | 75.3 | Confident | 171 Ų | 171 | 85.7 Ų | 85.7 | 65% | 0.645 | 43% | 0.432 | S | S | * | . | trans | -68.9 | 105.6 | -170.3 | -71.5 | -168.5 | -177.2 | -165.7 | 0.4 | 111.4 | T235 D239 | T235-R237 PolarHBondContact O-N 3.33Å; R237-D239 PolarHBondContact O-N 3.49Å | ||
| 238 | K | 72.5 | Confident | 75.5 | Confident | 117 Ų | 117 | 92.2 Ų | 92.2 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | trans | -97.2 | 66 | 179.8 | -72.3 | 169.6 | 163.9 | -167.6 | 0 | 110.4 | G236 F240 R248 F249 | G236-K238 PolarHBondContact O-N 2.98Å; K238-F240 PolarHBondContact O-N 3.35Å; K238-R248 HydrophobicContact CB-CB 3.62Å; K238-R248 HydrophobicContact CD-CB 4.05Å; K238-R248 WeakPolarHBondContact CD-O 3.45Å; K238-R248 HydrophobicContact CG-CB 4.42Å; K238-F249 CarbonylContact C-O 3.59Å; K238-F249 VanDerWaalsContact C-O 3.24Å; K238-F249 WeakPolarHBondContact CA-O 3.43Å | ||
| 239 | D | 74.4 | Confident | 75.6 | Confident | 114 Ų | 114 | 84.4 Ų | 84.4 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | trans | -67 | -14.6 | -171.6 | -52.2 | -35.1 | 0 | 0 | 0 | 114.1 | R237 F249 | R237-D239 PolarHBondContact O-N 3.49Å; D239-F249 PolarHBondContact N-O 3.32Å | ||
| 240 | F | 78.4 | Confident | 75.4 | Confident | 74 Ų | 74 | 80.1 Ų | 80.1 | 33% | 0.325 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 96.1 | -177.5 | -56.2 | -83.5 | 0 | 0 | 0 | 110.6 | K238 F249 K252 L255 | K238-F240 PolarHBondContact O-N 3.35Å; F240-F249 HydrophobicContact CB-CB 4.25Å; F240-F249 WeakPolarHBondContact CB-O 3.41Å; F240-F249 PolarHBondContact N-O 3.16Å; F240-F249 PolarHBondContact O-N 3.03Å; F240-K252 HydrophobicContact CD1-CB 3.9Å; F240-K252 HydrophobicContact CD1-CG 4.41Å; F240-K252 HydrophobicContact CE1-CB 3.75Å; F240-K252 HydrophobicContact CE1-CG 4.42Å; F240-K252 HydrophobicContact CG-CB 4.47Å; F240-K252 HydrophobicContact CZ-CB 4.2Å; F240-L255 HydrophobicContact CB-CB 4.24Å; F240-L255 HydrophobicContact CB-CD2 3.94Å |
| 241 | L | 80.5 | Confident | 75.3 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 48% | 0.482 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 147.4 | 174.2 | -50.7 | -178 | 0 | 0 | 0 | 111 | R248 L255 | L241-R248 HydrophobicContact CD2-CB 4.12Å; L241-R248 VanDerWaalsContact CD2-CD 3.46Å; L241-R248 HydrophobicContact CD2-CG 3.52Å; L241-L255 WeakPolarHBondContact O-CD1 3.4Å; L241-L255 VanDerWaalsContact O-CD2 3.24Å; L241-L255 WeakPolarHBondContact O-CD2 3.34Å |
| 242 | C | 82.7 | Confident | 75.5 | Confident | 12 Ų | 12 | 88.2 Ų | 88.2 | 8% | 0.081 | 45% | 0.447 | C | S | . | . | trans | -80.8 | 138 | 162 | -170.2 | 0 | 0 | 0 | 0 | 109.9 | Y244 C245 Q247 F249 L255 H258 H263 | C242-Y244 VanDerWaalsContact C-N 3.31Å; C242-C245 WeakPolarHBondContact CB-O 3.45Å; C242-Q247 PolarHBondContact N-O 2.85Å; C242-F249 HydrophobicContact CB-CE2 4.33Å; C242-L255 HydrophobicContact CB-CD1 3.79Å; C242-H258 PolarHBondContact SG-NE2 3.22Å; C242-H258 VanDerWaalsContact SG-NE2 3.41Å; C242-H263 VanDerWaalsContact SG-CD2 3.59Å | ||
| 243 | Q | 80.9 | Confident | 75.6 | Confident | 170 Ų | 170 | 90.9 Ų | 90.9 | 79% | 0.794 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -76.2 | -23.4 | 177.3 | -167 | 59.2 | 40.9 | 0 | 0 | 112.3 | ||
| 244 | Y | 80.2 | Confident | 75.9 | Confident | 85 Ų | 85 | 90.3 Ų | 90.3 | 33% | 0.333 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -105.6 | -3.5 | -171.4 | -47.7 | -78.3 | 0 | 0 | 0 | 113.7 | C242 V259 H263 E266 I270 | C242-Y244 VanDerWaalsContact C-N 3.31Å; Y244-V259 HydrophobicContact CD2-CG1 4Å; Y244-V259 HydrophobicContact CD2-CG2 4.45Å; Y244-V259 HydrophobicContact CE2-CG1 3.7Å; Y244-H263 WeakPolarHBondContact CB-ND1 3.44Å; Y244-H263 HydrophobicContact CD2-CB 3.89Å; Y244-H263 AromaticContact CD2-CG 3.97Å; Y244-H263 HydrophobicContact CG-CB 4.12Å; Y244-H263 AromaticContact CG-CG 3.99Å; Y244-H263 PolarHBondContact O-CE1 3.41Å; Y244-E266 HydrophobicContact CD1-CB 3.96Å; Y244-E266 HydrophobicContact CD1-CG 4.1Å; Y244-E266 HydrophobicContact CE1-CB 3.83Å; Y244-E266 HydrophobicContact CE1-CG 4.44Å; Y244-I270 HydrophobicContact CE1-CD1 4.17Å; Y244-I270 WeakPolarHBondContact OH-CD1 3.4Å |
| 245 | C | 84.6 | Confident | 76.3 | Confident | 45 Ų | 45 | 87.8 Ų | 87.8 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -162.1 | 164.4 | 170.2 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | C242 Q247 H258 H263 | C242-C245 WeakPolarHBondContact CB-O 3.45Å; C245-Q247 PolarHBondContact O-N 3.21Å; C245-H258 PolarHBondContact SG-NE2 3.07Å; C245-H263 PolarHBondContact SG-NE2 3.35Å |
| 246 | A | 78.6 | Confident | 76.5 | Confident | 101 Ų | 101 | 88.4 Ų | 88.4 | 84% | 0.835 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -67.7 | 6.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R248 | A246-R248 PolarHBondContact O-N 3.2Š|
| 247 | Q | 80.2 | Confident | 77.2 | Confident | 109 Ų | 109 | 92.7 Ų | 92.7 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | trans | -70.6 | 128.7 | -177.5 | -71.4 | -65.6 | -15.5 | 0 | 0 | 112.3 | C242 C245 F249 | C242-Q247 PolarHBondContact N-O 2.85Å; C245-Q247 PolarHBondContact O-N 3.21Å; Q247-F249 HydrophobicContact CB-CE2 3.6Å; Q247-F249 HydrophobicContact CB-CZ 3.81Å | ||
| 248 | R | 79.6 | Confident | 77.9 | Confident | 150 Ų | 150 | 86 Ų | 86 | 57% | 0.566 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.6 | -179.2 | -49.4 | -162.7 | 173.8 | -146.9 | -0 | 111.1 | K238 L241 A246 | K238-R248 HydrophobicContact CB-CB 3.62Å; K238-R248 HydrophobicContact CD-CB 4.05Å; K238-R248 WeakPolarHBondContact CD-O 3.45Å; K238-R248 HydrophobicContact CG-CB 4.42Å; L241-R248 HydrophobicContact CD2-CB 4.12Å; L241-R248 VanDerWaalsContact CD2-CD 3.46Å; L241-R248 HydrophobicContact CD2-CG 3.52Å; A246-R248 PolarHBondContact O-N 3.2Å |
| 249 | F | 76.8 | Confident | 78.4 | Confident | 38 Ų | 38 | 81.2 Ų | 81.2 | 17% | 0.167 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 141.7 | -176.1 | -60.9 | -87.4 | 0 | 0 | 0 | 111.6 | K238 D239 F240 C242 Q247 R251 H254 L255 H258 | K238-F249 CarbonylContact C-O 3.59Å; K238-F249 VanDerWaalsContact C-O 3.24Å; K238-F249 WeakPolarHBondContact CA-O 3.43Å; D239-F249 PolarHBondContact N-O 3.32Å; F240-F249 HydrophobicContact CB-CB 4.25Å; F240-F249 WeakPolarHBondContact CB-O 3.41Å; F240-F249 PolarHBondContact N-O 3.16Å; F240-F249 PolarHBondContact O-N 3.03Å; C242-F249 HydrophobicContact CB-CE2 4.33Å; Q247-F249 HydrophobicContact CB-CE2 3.6Å; Q247-F249 HydrophobicContact CB-CZ 3.81Å; F249-R251 VanDerWaalsContact C-N 3.26Å; F249-R251 PolarHBondContact O-N 3.05Å; F249-H254 HydrophobicContact CB-CB 4.5Å; F249-H254 HydrophobicContact CD1-CB 3.89Å; F249-H254 HydrophobicContact CG-CB 4.5Å; F249-L255 HydrophobicContact CB-CB 4.22Å; F249-L255 HydrophobicContact CD2-CB 4.04Å; F249-L255 HydrophobicContact CD2-CD1 3.9Å; F249-L255 HydrophobicContact CE2-CD1 4.18Å; F249-L255 HydrophobicContact CG-CB 4.21Å; F249-H258 HydrophobicContact CE1-CB 3.93Å; F249-H258 HydrophobicContact CE2-CB 4.14Å; F249-H258 AromaticContact CE2-CD2 3.23Å; F249-H258 WeakPolarHBondContact CE2-CD2 3.42Å; F249-H258 AromaticContact CE2-CG 3.8Å; F249-H258 AromaticContact CE2-NE2 3.9Å; F249-H258 HydrophobicContact CZ-CB 3.53Å; F249-H258 AromaticContact CZ-CD2 3.26Å; F249-H258 WeakPolarHBondContact CZ-CD2 3.4Å; F249-H258 AromaticContact CZ-CG 3.32Å; F249-H258 AromaticContact CZ-NE2 3.94Å |
| 250 | G | 70.7 | Confident | 78.9 | Confident | 15 Ų | 15 | 83.5 Ų | 83.5 | 16% | 0.155 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -79.6 | -2.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | V232 | V232-G250 VanDerWaalsContact CG1-CA 3.47Å; V232-G250 WeakPolarHBondContact CG1-O 3.47Å |
| 251 | R | 73.5 | Confident | 79 | Confident | 85 Ų | 85 | 88.5 Ų | 88.5 | 32% | 0.321 | 43% | 0.426 | S | S | . | . | trans | -148.4 | 133.9 | -177.6 | -66.4 | -169.4 | -99.5 | 178.5 | -12 | 112.1 | R229 F249 D253 H254 L255 | R229-R251 HydrophobicContact CG-CG 4.31Å; F249-R251 VanDerWaalsContact C-N 3.26Å; F249-R251 PolarHBondContact O-N 3.05Å; R251-D253 PolarHBondContact O-N 3.05Å; R251-H254 HydrophobicContact CB-CB 4.42Å; R251-H254 PolarHBondContact NE-NE2 3.12Å; R251-H254 PolarHBondContact NH2-NE2 2.83Å; R251-H254 PolarHBondContact O-N 3.33Å; R251-L255 PolarHBondContact O-N 2.86Å; R251-L255 VanDerWaalsContact O-N 3.08Å | ||
| 252 | K | 73.3 | Confident | 79 | Confident | 137 Ų | 137 | 87.4 Ų | 87.4 | 60% | 0.596 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -52.7 | -41.2 | 170.7 | -165.1 | 167.8 | -177.2 | 170.5 | 0 | 112.3 | F240 H254 L255 T256 | F240-K252 HydrophobicContact CD1-CB 3.9Å; F240-K252 HydrophobicContact CD1-CG 4.41Å; F240-K252 HydrophobicContact CE1-CB 3.75Å; F240-K252 HydrophobicContact CE1-CG 4.42Å; F240-K252 HydrophobicContact CG-CB 4.47Å; F240-K252 HydrophobicContact CZ-CB 4.2Å; K252-H254 PolarHBondContact O-N 2.85Å; K252-L255 PolarHBondContact O-N 3.24Å; K252-T256 PolarHBondContact O-N 2.75Å; K252-T256 PolarHBondContact O-OG1 3.35Å |
| 253 | D | 76.2 | Confident | 78.9 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -25.7 | 178.4 | -44.4 | -45.4 | 0 | 0 | 0 | 114.4 | R251 R257 | R251-D253 PolarHBondContact O-N 3.05Å; D253-R257 WeakPolarHBondContact O-CB 3.23Å; D253-R257 PolarHBondContact O-NH2 3.04Å; D253-R257 VanDerWaalsContact O-NH2 3.09Å |
| 254 | H | 74.3 | Confident | 78.6 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 39% | 0.394 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -87.2 | -42.7 | 175.6 | -71.8 | -37.6 | 0 | 0 | 0 | 110.6 | F249 R251 K252 R257 H258 | F249-H254 HydrophobicContact CB-CB 4.5Å; F249-H254 HydrophobicContact CD1-CB 3.89Å; F249-H254 HydrophobicContact CG-CB 4.5Å; R251-H254 HydrophobicContact CB-CB 4.42Å; R251-H254 PolarHBondContact NE-NE2 3.12Å; R251-H254 PolarHBondContact NH2-NE2 2.83Å; R251-H254 PolarHBondContact O-N 3.33Å; K252-H254 PolarHBondContact O-N 2.85Å; H254-R257 PolarHBondContact CE1-NH1 3.3Å; H254-R257 PolarHBondContact ND1-NH1 3.5Å; H254-R257 PolarHBondContact ND1-NH2 3.03Å; H254-R257 PolarHBondContact O-N 3.03Å; H254-H258 WeakPolarHBondContact O-CB 3.43Å; H254-H258 PolarHBondContact O-N 3.33Å |
| 255 | L | 78.8 | Confident | 78.1 | Confident | 27 Ų | 27 | 85.5 Ų | 85.5 | 14% | 0.141 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -55.1 | -54.1 | 172.4 | 171.1 | 61.5 | 0 | 0 | 0 | 111 | F240 L241 C242 F249 R251 K252 R257 H258 V259 | F240-L255 HydrophobicContact CB-CB 4.24Å; F240-L255 HydrophobicContact CB-CD2 3.94Å; L241-L255 WeakPolarHBondContact O-CD1 3.4Å; L241-L255 VanDerWaalsContact O-CD2 3.24Å; L241-L255 WeakPolarHBondContact O-CD2 3.34Å; C242-L255 HydrophobicContact CB-CD1 3.79Å; F249-L255 HydrophobicContact CB-CB 4.22Å; F249-L255 HydrophobicContact CD2-CB 4.04Å; F249-L255 HydrophobicContact CD2-CD1 3.9Å; F249-L255 HydrophobicContact CE2-CD1 4.18Å; F249-L255 HydrophobicContact CG-CB 4.21Å; R251-L255 PolarHBondContact O-N 2.86Å; R251-L255 VanDerWaalsContact O-N 3.08Å; K252-L255 PolarHBondContact O-N 3.24Å; L255-R257 PolarHBondContact O-N 3.19Å; L255-H258 PolarHBondContact O-N 2.88Å; L255-H258 VanDerWaalsContact O-N 3.09Å; L255-V259 HydrophobicContact CD1-CG2 3.67Å; L255-V259 HydrophobicContact CG-CG2 4.28Å; L255-V259 WeakPolarHBondContact O-CG2 3.49Å; L255-V259 PolarHBondContact O-N 2.89Å |
| 256 | T | 78.2 | Confident | 77.1 | Confident | 83 Ų | 83 | 86.2 Ų | 86.2 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.5 | -34.1 | -180 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | K252 K260 | K252-T256 PolarHBondContact O-N 2.75Å; K252-T256 PolarHBondContact O-OG1 3.35Å; T256-K260 VanDerWaalsContact O-CB 3.28Å; T256-K260 WeakPolarHBondContact O-CB 3.44Å; T256-K260 PolarHBondContact O-N 2.77Å |
| 257 | R | 80.9 | Confident | 76.3 | Confident | 141 Ų | 141 | 84.8 Ų | 84.8 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.5 | -39.1 | 175.7 | -165.3 | -175.2 | -46.5 | 131.9 | 27.8 | 112.4 | D253 H254 L255 K261 | D253-R257 WeakPolarHBondContact O-CB 3.23Å; D253-R257 PolarHBondContact O-NH2 3.04Å; D253-R257 VanDerWaalsContact O-NH2 3.09Å; H254-R257 PolarHBondContact CE1-NH1 3.3Å; H254-R257 PolarHBondContact ND1-NH1 3.5Å; H254-R257 PolarHBondContact ND1-NH2 3.03Å; H254-R257 PolarHBondContact O-N 3.03Å; L255-R257 PolarHBondContact O-N 3.19Å; R257-K261 WeakPolarHBondContact O-CB 3.24Å; R257-K261 PolarHBondContact O-N 3.35Å |
| 258 | H | 80.8 | Confident | 75.3 | Confident | 31 Ų | 31 | 84.9 Ų | 84.9 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.8 | -51 | 174.2 | 159.5 | 62.1 | 0 | 0 | 0 | 110.8 | C242 C245 F249 H254 L255 K260 K261 S262 H263 | C242-H258 PolarHBondContact SG-NE2 3.22Å; C242-H258 VanDerWaalsContact SG-NE2 3.41Å; C245-H258 PolarHBondContact SG-NE2 3.07Å; F249-H258 HydrophobicContact CE1-CB 3.93Å; F249-H258 HydrophobicContact CE2-CB 4.14Å; F249-H258 AromaticContact CE2-CD2 3.23Å; F249-H258 WeakPolarHBondContact CE2-CD2 3.42Å; F249-H258 AromaticContact CE2-CG 3.8Å; F249-H258 AromaticContact CE2-NE2 3.9Å; F249-H258 HydrophobicContact CZ-CB 3.53Å; F249-H258 AromaticContact CZ-CD2 3.26Å; F249-H258 WeakPolarHBondContact CZ-CD2 3.4Å; F249-H258 AromaticContact CZ-CG 3.32Å; F249-H258 AromaticContact CZ-NE2 3.94Å; H254-H258 WeakPolarHBondContact O-CB 3.43Å; H254-H258 PolarHBondContact O-N 3.33Å; L255-H258 PolarHBondContact O-N 2.88Å; L255-H258 VanDerWaalsContact O-N 3.09Å; H258-K260 VanDerWaalsContact C-N 3.31Å; H258-K260 PolarHBondContact O-N 3.46Å; H258-K261 PolarHBondContact O-N 3.47Å; H258-S262 WeakPolarHBondContact ND1-CB 3.42Å; H258-S262 PolarHBondContact ND1-OG 2.87Å; H258-S262 VanDerWaalsContact ND1-OG 3.13Å; H258-S262 VanDerWaalsContact O-CB 3.32Å; H258-S262 WeakPolarHBondContact O-CB 3.26Å; H258-S262 PolarHBondContact O-N 3.43Å; H258-S262 PolarHBondContact O-OG 3.33Å; H258-H263 AromaticContact CE1-CD2 3.89Å; H258-H263 AromaticContact CE1-NE2 3.55Å; H258-H263 AromaticContact NE2-CD2 3.7Å; H258-H263 AromaticContact NE2-NE2 3.45Å; H258-H263 PolarHBondContact NE2-NE2 3.05Å |
| 259 | V | 83.8 | Confident | 74.2 | Confident | 16 Ų | 16 | 83.2 Ų | 83.2 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.6 | -45.7 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | Y244 L255 K261 H263 S264 L267 | Y244-V259 HydrophobicContact CD2-CG1 4Å; Y244-V259 HydrophobicContact CD2-CG2 4.45Å; Y244-V259 HydrophobicContact CE2-CG1 3.7Å; L255-V259 HydrophobicContact CD1-CG2 3.67Å; L255-V259 HydrophobicContact CG-CG2 4.28Å; L255-V259 WeakPolarHBondContact O-CG2 3.49Å; L255-V259 PolarHBondContact O-N 2.89Å; V259-K261 VanDerWaalsContact C-N 3.29Å; V259-K261 PolarHBondContact O-N 3.02Å; V259-H263 HydrophobicContact CG1-CB 4.11Å; V259-H263 CarbonylContact O-C 3.13Å; V259-H263 VanDerWaalsContact O-CA 3.28Å; V259-H263 WeakPolarHBondContact O-CA 3.43Å; V259-H263 WeakPolarHBondContact O-CB 3.1Å; V259-H263 PolarHBondContact O-N 2.95Å; V259-S264 PolarHBondContact O-N 3.49Å; V259-L267 HydrophobicContact CG1-CD1 3.81Å; V259-L267 HydrophobicContact CG1-CD2 3.9Å; V259-L267 HydrophobicContact CG1-CG 3.79Å |
| 260 | K | 83 | Confident | 73.3 | Confident | 162 Ų | 162 | 86.5 Ų | 86.5 | 70% | 0.704 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.1 | -24.2 | 176.9 | -174.1 | 167.2 | -179.2 | 174.7 | 0 | 114.7 | T256 H258 L267 | T256-K260 VanDerWaalsContact O-CB 3.28Å; T256-K260 WeakPolarHBondContact O-CB 3.44Å; T256-K260 PolarHBondContact O-N 2.77Å; H258-K260 VanDerWaalsContact C-N 3.31Å; H258-K260 PolarHBondContact O-N 3.46Å; K260-L267 HydrophobicContact CB-CD1 4.43Å |
| 261 | K | 82.3 | Confident | 72.3 | Confident | 180 Ų | 180 | 94.2 Ų | 94.2 | 78% | 0.783 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -95.5 | -37.5 | 179.1 | -170.9 | -179.2 | 178.3 | -172.5 | 0 | 113.5 | R257 H258 V259 | R257-K261 WeakPolarHBondContact O-CB 3.24Å; R257-K261 PolarHBondContact O-N 3.35Å; H258-K261 PolarHBondContact O-N 3.47Å; V259-K261 VanDerWaalsContact C-N 3.29Å; V259-K261 PolarHBondContact O-N 3.02Å |
| 262 | S | 78.9 | Confident | 71.3 | Confident | 69 Ų | 69 | 95.1 Ų | 95.1 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -105.4 | -21.3 | -169.7 | -58 | 0 | 0 | 0 | 0 | 113.5 | H258 | H258-S262 WeakPolarHBondContact ND1-CB 3.42Å; H258-S262 PolarHBondContact ND1-OG 2.87Å; H258-S262 VanDerWaalsContact ND1-OG 3.13Å; H258-S262 VanDerWaalsContact O-CB 3.32Å; H258-S262 WeakPolarHBondContact O-CB 3.26Å; H258-S262 PolarHBondContact O-N 3.43Å; H258-S262 PolarHBondContact O-OG 3.33Å |
| 263 | H | 82.2 | Confident | 69.9 | Low | 30 Ų | 30 | 95 Ų | 95 | 14% | 0.139 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -130.6 | 36.2 | -178.2 | -55.2 | -67.7 | 0 | 0 | 0 | 110.3 | C242 Y244 C245 H258 V259 Q265 E266 L267 | C242-H263 VanDerWaalsContact SG-CD2 3.59Å; Y244-H263 WeakPolarHBondContact CB-ND1 3.44Å; Y244-H263 HydrophobicContact CD2-CB 3.89Å; Y244-H263 AromaticContact CD2-CG 3.97Å; Y244-H263 HydrophobicContact CG-CB 4.12Å; Y244-H263 AromaticContact CG-CG 3.99Å; Y244-H263 PolarHBondContact O-CE1 3.41Å; C245-H263 PolarHBondContact SG-NE2 3.35Å; H258-H263 AromaticContact CE1-CD2 3.89Å; H258-H263 AromaticContact CE1-NE2 3.55Å; H258-H263 AromaticContact NE2-CD2 3.7Å; H258-H263 AromaticContact NE2-NE2 3.45Å; H258-H263 PolarHBondContact NE2-NE2 3.05Å; V259-H263 HydrophobicContact CG1-CB 4.11Å; V259-H263 CarbonylContact O-C 3.13Å; V259-H263 VanDerWaalsContact O-CA 3.28Å; V259-H263 WeakPolarHBondContact O-CA 3.43Å; V259-H263 WeakPolarHBondContact O-CB 3.1Å; V259-H263 PolarHBondContact O-N 2.95Å; H263-Q265 VanDerWaalsContact C-N 3.32Å; H263-Q265 PolarHBondContact O-N 2.77Å; H263-E266 PolarHBondContact O-N 2.89Å; H263-L267 PolarHBondContact O-N 3.13Å; H263-L267 VanDerWaalsContact O-N 3.1Å |
| 264 | S | 74 | Confident | 68.4 | Low | 55 Ų | 55 | 95.2 Ų | 95.2 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 178.6 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | V259 L267 L268 | V259-S264 PolarHBondContact O-N 3.49Å; S264-L267 PolarHBondContact O-N 3.31Å; S264-L268 WeakPolarHBondContact O-CG 3.47Å; S264-L268 PolarHBondContact O-N 3.11Å; S264-L268 VanDerWaalsContact O-N 3.14Å |
| 265 | Q | 69.8 | Low | 67.4 | Low | 142 Ų | 142 | 97.5 Ų | 97.5 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 176.8 | -70.8 | 173.3 | -30.1 | 0 | 0 | 112 | H263 L268 K269 | H263-Q265 VanDerWaalsContact C-N 3.32Å; H263-Q265 PolarHBondContact O-N 2.77Å; Q265-L268 WeakPolarHBondContact O-CB 3.49Å; Q265-L268 PolarHBondContact O-N 2.96Å; Q265-K269 PolarHBondContact O-N 3.45Å; Q265-K269 VanDerWaalsContact O-N 3.08Å |
| 266 | E | 62.5 | Low | 65.4 | Low | 59 Ų | 59 | 103.5 Ų | 103.5 | 28% | 0.276 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 176.8 | -53.6 | -45.5 | 112.2 | 0 | 0 | 112.1 | Y244 H263 L268 K269 I270 | Y244-E266 HydrophobicContact CD1-CB 3.96Å; Y244-E266 HydrophobicContact CD1-CG 4.1Å; Y244-E266 HydrophobicContact CE1-CB 3.83Å; Y244-E266 HydrophobicContact CE1-CG 4.44Å; H263-E266 PolarHBondContact O-N 2.89Å; E266-L268 PolarHBondContact O-N 3.27Å; E266-K269 PolarHBondContact O-N 2.67Å; E266-K269 WeakPolarHBondContact OE1-CE 3.39Å; E266-K269 IonicContact OE1-NZ 2.73Å; E266-K269 PolarHBondContact OE1-NZ 2.85Å; E266-K269 WeakPolarHBondContact OE2-CD 3.33Å; E266-K269 IonicContact OE2-NZ 2.87Å; E266-K269 PolarHBondContact OE2-NZ 3.5Å; E266-I270 WeakPolarHBondContact O-CG1 3.37Å; E266-I270 PolarHBondContact O-N 3.37Å; E266-I270 VanDerWaalsContact O-N 3.15Å |
| 267 | L | 62.9 | Low | 63.6 | Low | 72 Ų | 72 | 106.5 Ų | 106.5 | 38% | 0.377 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -20.5 | 170.6 | -72.6 | -175.8 | 0 | 0 | 0 | 114.1 | V259 K260 H263 S264 | V259-L267 HydrophobicContact CG1-CD1 3.81Å; V259-L267 HydrophobicContact CG1-CD2 3.9Å; V259-L267 HydrophobicContact CG1-CG 3.79Å; K260-L267 HydrophobicContact CB-CD1 4.43Å; H263-L267 PolarHBondContact O-N 3.13Å; H263-L267 VanDerWaalsContact O-N 3.1Å; S264-L267 PolarHBondContact O-N 3.31Å |
| 268 | L | 59.4 | Low | 62 | Low | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -82.6 | -43.7 | 175 | -72.5 | 167.5 | 0 | 0 | 0 | 111.1 | S264 Q265 E266 I270 K271 T272 | S264-L268 WeakPolarHBondContact O-CG 3.47Å; S264-L268 PolarHBondContact O-N 3.11Å; S264-L268 VanDerWaalsContact O-N 3.14Å; Q265-L268 WeakPolarHBondContact O-CB 3.49Å; Q265-L268 PolarHBondContact O-N 2.96Å; E266-L268 PolarHBondContact O-N 3.27Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.14Å; L268-K271 CarbonylContact O-C 3.43Å; L268-K271 WeakPolarHBondContact O-CA 3.27Å; L268-K271 WeakPolarHBondContact O-CB 3.33Å; L268-K271 PolarHBondContact O-N 2.9Å; L268-T272 PolarHBondContact O-N 2.91Å; L268-T272 VanDerWaalsContact O-N 3.11Å |
| 269 | K | 56.6 | Low | 59.9 | Low | 114 Ų | 114 | 109.3 Ų | 109.3 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -55.2 | -47 | 173.4 | -66 | 169.8 | -177.8 | 166.8 | 0 | 112 | Q265 E266 K271 T272 E273 | Q265-K269 PolarHBondContact O-N 3.45Å; Q265-K269 VanDerWaalsContact O-N 3.08Å; E266-K269 PolarHBondContact O-N 2.67Å; E266-K269 WeakPolarHBondContact OE1-CE 3.39Å; E266-K269 IonicContact OE1-NZ 2.73Å; E266-K269 PolarHBondContact OE1-NZ 2.85Å; E266-K269 WeakPolarHBondContact OE2-CD 3.33Å; E266-K269 IonicContact OE2-NZ 2.87Å; E266-K269 PolarHBondContact OE2-NZ 3.5Å; K269-K271 PolarHBondContact O-N 3.38Å; K269-K271 VanDerWaalsContact O-N 3.09Å; K269-T272 PolarHBondContact O-N 2.92Å; K269-T272 VanDerWaalsContact O-N 3.1Å; K269-T272 PolarHBondContact O-OG1 3.12Å; K269-E273 PolarHBondContact O-N 3.47Å |
| 270 | I | 58.3 | Low | 57.7 | Low | 107 Ų | 107 | 116.6 Ų | 116.6 | 55% | 0.549 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.7 | -9.7 | 178.1 | -65.2 | 164.6 | 0 | 0 | 0 | 112.4 | Y244 E266 L268 | Y244-I270 HydrophobicContact CE1-CD1 4.17Å; Y244-I270 WeakPolarHBondContact OH-CD1 3.4Å; E266-I270 WeakPolarHBondContact O-CG1 3.37Å; E266-I270 PolarHBondContact O-N 3.37Å; E266-I270 VanDerWaalsContact O-N 3.15Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.14Å |
| 271 | K | 49.5 | Very low | 55.5 | Low | 177 Ų | 177 | 117.3 Ų | 117.3 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -104.2 | -9.2 | 175.4 | -151.4 | -154.2 | 170.4 | -159.1 | 0 | 113.5 | L268 K269 | L268-K271 CarbonylContact O-C 3.43Å; L268-K271 WeakPolarHBondContact O-CA 3.27Å; L268-K271 WeakPolarHBondContact O-CB 3.33Å; L268-K271 PolarHBondContact O-N 2.9Å; K269-K271 PolarHBondContact O-N 3.38Å; K269-K271 VanDerWaalsContact O-N 3.09Å |
| 272 | T | 52.4 | Low | 53 | Low | 105 Ų | 105 | 114.9 Ų | 114.9 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -90.1 | -31.7 | 170 | 44 | 0 | 0 | 0 | 0 | 112.1 | L268 K269 | L268-T272 PolarHBondContact O-N 2.91Å; L268-T272 VanDerWaalsContact O-N 3.11Å; K269-T272 PolarHBondContact O-N 2.92Å; K269-T272 VanDerWaalsContact O-N 3.1Å; K269-T272 PolarHBondContact O-OG1 3.12Å |
| 273 | E | 44 | Very low | 51 | Low | 134 Ų | 134 | 118.5 Ų | 118.5 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -76.2 | 132.6 | 171.9 | -55.2 | -45 | 121.8 | 0 | 0 | 111.2 | K269 | K269-E273 PolarHBondContact O-N 3.47Š|
| 274 | P | 43.5 | Very low | 48.5 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | trans | -68.7 | 148.5 | 169 | 30.5 | -33.8 | 0 | 0 | 0 | 110.3 | D276 | P274-D276 PolarHBondContact O-N 3.09Š| ||
| 275 | P | 53.7 | Low | 46.5 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 87% | 0.87 | 70% | 0.7 | S | S | * | * | trans | -77.3 | 86.8 | 178.8 | 30.5 | -32.1 | 0 | 0 | 0 | 110.7 | ||||
| 276 | D | 37.8 | Very low | 45.1 | Very low | 152 Ų | 152 | 122.1 Ų | 122.1 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -76 | 163.4 | 168.9 | -144 | -28 | 0 | 0 | 0 | 111.7 | P274 | P274-D276 PolarHBondContact O-N 3.09Š| ||
| 277 | M | 40.3 | Very low | 44.1 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -84.9 | 135.7 | -152.1 | -79.5 | -80.9 | -79.6 | 0 | 0 | 116.1 | ||
| 278 | L | 47.2 | Very low | 42.6 | Very low | 159 Ų | 159 | 127 Ų | 127 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | 52.7 | 100.5 | 152.3 | -62 | 174.8 | 0 | 0 | 0 | 118.4 | ||||
| 279 | G | 36.3 | Very low | 41.3 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | -156.1 | 127.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 280 | L | 37.3 | Very low | 40.1 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | 59.9 | 72.3 | 154 | -52.6 | -177.9 | 0 | 0 | 0 | 119.2 | ||||
| 281 | L | 35.8 | Very low | 39.2 | Very low | 177 Ų | 177 | 132 Ų | 132 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | -89.6 | 93.6 | 135.9 | -77 | 177 | 0 | 0 | 0 | 109.5 | ||||
| 282 | T | 31 | Very low | 38.3 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -159.8 | 138 | 157.2 | -77.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 283 | T | 37.4 | Very low | 37.7 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -86.4 | 123.6 | 179.2 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 284 | G | 29.9 | Very low | 37.2 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -146.9 | 112.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 285 | S | 30.8 | Very low | 36.7 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 138 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 286 | P | 40.1 | Very low | 36.8 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 139.4 | 171.7 | 32.7 | -33.2 | 0 | 0 | 0 | 111.4 | ||
| 287 | P | 42.9 | Very low | 36.5 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85 | 148.4 | 151.1 | 34.1 | -29.3 | 0 | 0 | 0 | 110 | ||
| 288 | C | 30.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -115.5 | 160.4 | 173.3 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 289 | S | 32.7 | Very low | 35.6 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 73.3 | 149.4 | -178.8 | -46 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 290 | V | 31.8 | Very low | 35.4 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | cis | -127.3 | 172 | 12.1 | -72.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 291 | K | 37.7 | Very low | 35.1 | Very low | 174 Ų | 174 | 134 Ų | 134 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -102.3 | 134 | 171.3 | 169.1 | -149.7 | 170.7 | -108.3 | 0 | 109.2 | ||||
| 292 | E | 32 | Very low | 34.9 | Very low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -164.3 | 174.3 | 138.4 | -141.3 | 71.8 | 117.8 | 0 | 0 | 110.5 | ||||
| 293 | E | 39.2 | Very low | 35.9 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -97.2 | -179 | -175.2 | -89.1 | -138.5 | 92.1 | 0 | 0 | 114.4 | ||||
| 294 | L | 33.1 | Very low | 35.7 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 99.1 | 107.2 | 160 | -58.4 | 164.1 | 0 | 0 | 0 | 118.6 | ||||
| 295 | S | 34.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -72 | 179.6 | 152.1 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 296 | P | 55.3 | Low | 35.9 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | cis | -146.8 | -157.2 | 19.3 | 37.8 | -12.1 | 0 | 0 | 0 | 116.4 | ||||
| 297 | M | 31.8 | Very low | 36.5 | Very low | 160 Ų | 160 | 135 Ų | 135 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | 78.9 | 146.6 | 164 | -67.3 | -178.8 | 163.4 | 0 | 0 | 118.1 | ||||
| 298 | M | 36.3 | Very low | 35.9 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | cis | -157.4 | 155.7 | -7.6 | -120.7 | -16.1 | -163.5 | 0 | 0 | 114.2 | ||||
| 299 | C | 30.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 141 Ų | 141 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | 49.1 | 138.6 | 146.9 | -65 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 300 | G | 32.8 | Very low | 36.1 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 172.4 | 101.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 301 | M | 32.2 | Very low | 36.3 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -40.8 | 150.3 | 179.8 | -62.9 | 69.2 | 77.2 | 0 | 0 | 115.4 | ||||
| 302 | G | 31.6 | Very low | 35.8 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | 106.9 | 163 | 28.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 303 | P | 51.9 | Low | 35.7 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | cis | -144 | 178.8 | -8 | 44.8 | -26.6 | 0 | 0 | 0 | 117.1 | ||||
| 304 | N | 33.3 | Very low | 36.3 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 71.5 | 111.6 | 141.8 | -126.4 | -63.6 | 0 | 0 | 0 | 123.1 | ||||
| 305 | K | 33.3 | Very low | 36.2 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | 162.2 | 123.2 | 109.3 | -87.2 | 178 | -176.9 | 177.8 | 0 | 114.8 | |||||
| 306 | D | 30.3 | Very low | 36 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -93.5 | -164.5 | 165.9 | -38.6 | -93.8 | 0 | 0 | 0 | 110.7 | ||||
| 307 | P | 53.5 | Low | 35.1 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | -134.7 | -179.4 | -17.4 | 40.9 | -25 | 0 | 0 | 0 | 114.3 | ||||
| 308 | M | 30.8 | Very low | 35.8 | Very low | 194 Ų | 194 | 130.6 Ų | 130.6 | 96% | 0.956 | 79% | 0.789 | S | S | * | * | trans | -161.2 | 162 | 144.6 | 36.9 | -174.6 | 160.5 | 0 | 0 | 114 | ||||
| 309 | M | 33.9 | Very low | 35.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -111.5 | 154.3 | -162.5 | -87.6 | 80.4 | 167.7 | 0 | 0 | 116.4 | ||||
| 310 | G | 32.9 | Very low | 35.5 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 159.8 | 116.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 311 | K | 34.9 | Very low | 35.5 | Very low | 191 Ų | 191 | 137.8 Ų | 137.8 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | cis | 66.2 | 121.3 | 36.1 | -51.8 | -172.6 | 179.6 | -177.9 | 0 | 111.7 | ||||
| 312 | S | 26.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -149 | 167 | 19.7 | -67.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 313 | F | 31.6 | Very low | 35.5 | Very low | 203 Ų | 203 | 139.1 Ų | 139.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -69.8 | -174.5 | 161.7 | -80.6 | -89.1 | 0 | 0 | 0 | 112.4 | ||||
| 314 | P | 51.7 | Low | 34.6 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -138 | 176.9 | 5.6 | 43.4 | -26.5 | 0 | 0 | 0 | 117.3 | ||||
| 315 | S | 30.4 | Very low | 34.7 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | 168.9 | 151.1 | 124 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 316 | G | 31 | Very low | 35.3 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 102 | 97.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 317 | A | 35.8 | Very low | 35.7 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -154.7 | 171.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 318 | P | 45.9 | Very low | 34.8 | Very low | 102 Ų | 102 | 143 Ų | 143 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | cis | -134.5 | -160.5 | 2.6 | 26.8 | -0.9 | 0 | 0 | 0 | 113.9 | ||||
| 319 | F | 28.5 | Very low | 34.9 | Very low | 198 Ų | 198 | 142 Ų | 142 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | 101.4 | 165.8 | 161.6 | -60.6 | -61.5 | 0 | 0 | 0 | 119 | ||||
| 320 | S | 33.1 | Very low | 34.9 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -135.8 | 150.1 | -140.5 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 321 | M | 33 | Very low | 34.6 | Very low | 180 Ų | 180 | 142 Ų | 142 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -158.1 | 156.9 | 134.2 | -108.7 | -59.1 | 167.1 | 0 | 0 | 109.9 | ||||
| 322 | S | 30.3 | Very low | 34.4 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -149.3 | 157.9 | 179.1 | -94.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 323 | M | 33.2 | Very low | 34.7 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | 66 | 116.5 | -179.2 | -56 | -65.3 | -169.2 | 0 | 0 | 115.8 | ||||
| 324 | Y | 32.7 | Very low | 34.7 | Very low | 218 Ų | 218 | 137.7 Ų | 137.7 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -143.4 | 133.5 | 131 | -128.8 | -84.6 | 0 | 0 | 0 | 109.8 | ||||
| 325 | N | 35.3 | Very low | 33.8 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -117.9 | 143.4 | 178.7 | -161.4 | 19.8 | 0 | 0 | 0 | 107.2 | H327 | N325-H327 PolarHBondContact O-N 3.41Š| ||
| 326 | P | 45.6 | Very low | 33.7 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 136.2 | -171.1 | -23.4 | 35.1 | 0 | 0 | 0 | 113 | ||
| 327 | H | 38.8 | Very low | 33.9 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 143.9 | -179.6 | -116.5 | -93 | 0 | 0 | 0 | 113.6 | N325 | N325-H327 PolarHBondContact O-N 3.41Š|
| 328 | H | 34.5 | Very low | 33.8 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 63% | 0.625 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 152 | 176.7 | -176.9 | -116.8 | 0 | 0 | 0 | 113.4 | Q330 | H328-Q330 PolarHBondContact CE1-OE1 3.3Å; H328-Q330 VanDerWaalsContact CE1-OE1 3.22Å; H328-Q330 PolarHBondContact ND1-OE1 3.43Å |
| 329 | L | 32.7 | Very low | 34.1 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -124 | 145.8 | 157.1 | -118.8 | 178.1 | 0 | 0 | 0 | 109.4 | ||||
| 330 | Q | 33.6 | Very low | 35 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | trans | -125.4 | 145.8 | -148.5 | -171.3 | 144.4 | -29.4 | 0 | 0 | 113.4 | H328 | H328-Q330 PolarHBondContact CE1-OE1 3.3Å; H328-Q330 VanDerWaalsContact CE1-OE1 3.22Å; H328-Q330 PolarHBondContact ND1-OE1 3.43Å | ||
| 331 | A | 27 | Very low | 35.1 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -145.8 | 101.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 332 | M | 30.2 | Very low | 35.9 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | trans | -146.8 | 151.9 | 160.9 | -66.6 | -163 | -77.2 | 0 | 0 | 105.8 | ||||
| 333 | S | 34.5 | Very low | 35.9 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -158.2 | 162.4 | 30.6 | 42.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 334 | N | 31 | Very low | 35.8 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | 16.9 | 140.9 | 150.5 | -50.5 | -8.6 | 0 | 0 | 0 | 120.1 | ||||
| 335 | S | 32.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | -174.4 | 158.6 | 60 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 336 | G | 29 | Very low | 37 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 154.9 | 80.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 337 | V | 35.3 | Very low | 36.3 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | 18.6 | 118.8 | 148.1 | -169.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 338 | G | 32.6 | Very low | 36 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | 80 | 133.1 | 119.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 339 | P | 52.1 | Low | 36 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -98 | 170.8 | 172 | 39.7 | -35.4 | 0 | 0 | 0 | 113.9 | ||||
| 340 | P | 47.3 | Very low | 36.1 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | -141.5 | 164.4 | 129.4 | 39.9 | -27.9 | 0 | 0 | 0 | 116 | |||||
| 341 | H | 36.3 | Very low | 36.3 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | -91.7 | -175.3 | 161.8 | -130 | -122.5 | 0 | 0 | 0 | 108.4 | ||||
| 342 | P | 49.3 | Very low | 36.6 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | cis | -137.1 | -180 | -0.5 | 41.1 | -22 | 0 | 0 | 0 | 116.1 | ||||
| 343 | S | 30.3 | Very low | 36.9 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | 32.5 | 132.3 | 143.9 | 64.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 344 | L | 32.2 | Very low | 36.6 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | -172 | 157.1 | 116.4 | -101 | 163.9 | 0 | 0 | 0 | 113 | |||||
| 345 | M | 38.4 | Very low | 36.8 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -113 | 178.2 | 162.3 | -73 | -83.7 | 150.4 | 0 | 0 | 106.7 | ||||
| 346 | P | 53 | Low | 36.6 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | cis | -138.9 | -156.2 | 7.3 | 38.9 | -16.4 | 0 | 0 | 0 | 113.9 | ||||
| 347 | N | 31.8 | Very low | 36.7 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 79.7 | 157.4 | 151.4 | -75 | -11.7 | 0 | 0 | 0 | 121.1 | ||||
| 348 | S | 32.2 | Very low | 36.3 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | cis | 176.7 | 169.4 | -36.3 | -96.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 349 | L | 34.9 | Very low | 36.2 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 75.8 | 125.9 | 169 | -53 | -177 | 0 | 0 | 0 | 115.4 | ||||
| 350 | S | 35.4 | Very low | 35.1 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | 81.6 | 152.1 | 62.9 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 351 | A | 36.3 | Very low | 34.4 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -142.6 | 150.5 | 8.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 352 | A | 33 | Very low | 34.3 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | 71.4 | 116 | 62.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 353 | M | 36.6 | Very low | 33.4 | Very low | 203 Ų | 203 | 125.9 Ų | 125.9 | 100% | 1 | 77% | 0.767 | S | S | * | * | trans | -155.7 | 150.6 | 147.7 | -71.1 | -158.8 | -174.8 | 0 | 0 | 107.6 | ||||
| 354 | G | 30.1 | Very low | 33.4 | Very low | 64 Ų | 64 | 126.9 Ų | 126.9 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | cis | 166.2 | 152.5 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 355 | M | 35.2 | Very low | 33.3 | Very low | 200 Ų | 200 | 127.1 Ų | 127.1 | 99% | 0.985 | 77% | 0.774 | S | S | * | * | trans | 69.6 | 135.5 | -178.2 | -42.5 | -161.2 | -171.7 | 0 | 0 | 115.4 | ||||
| 356 | G | 27.6 | Very low | 33 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 108.2 | 137.2 | 3.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 357 | C | 30.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 86% | 0.858 | 78% | 0.778 | S | S | * | * | cis | -128.3 | -154.4 | 5.8 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 358 | H | 27.5 | Very low | 32.5 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | cis | -155.3 | -178.3 | 8.4 | -161 | -96.3 | 0 | 0 | 0 | 111.1 | ||||
| 359 | M | 30.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 64% | 0.64 | 79% | 0.786 | S | S | * | * | trans | -111.1 | 177.9 | 179.5 | 57.8 | -95.5 | -175.3 | 0 | 0 | 110.9 | ||||
| 360 | E | 29.3 | Very low | 32.5 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | cis | -129.5 | 149.9 | 28.7 | -95.3 | 140.1 | 73.7 | 0 | 0 | 113.3 | ||||
| 361 | S | 32.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | 81.9 | 132.3 | 46.6 | -134.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 362 | T | 34 | Very low | 32.3 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | cis | -123 | -161.6 | 11 | 50 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 363 | A | 29.4 | Very low | 32.3 | Very low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | cis | -159 | 173.9 | 9.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 364 | S | 30.6 | Very low | 32.2 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 8.1 | 138.3 | 145.1 | -55.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 365 | I | 30.6 | Very low | 32.4 | Very low | 171 Ų | 171 | 146.5 Ų | 146.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | cis | -132.2 | 152.9 | 12.9 | -61.8 | 177.7 | 0 | 0 | 0 | 111.1 | ||||
| 366 | H | 32.4 | Very low | 32.5 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83 | 155.5 | -176.2 | -128 | 64.3 | 0 | 0 | 0 | 114.6 | ||
| 367 | P | 41.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 155 | 176.9 | 35.2 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 368 | H | 31.4 | Very low | 33 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 129.3 | 170 | -111 | -82.3 | 0 | 0 | 0 | 111.9 | ||
| 369 | S | 32.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 143.3 | 162.1 | 52.6 | 0 | 0 | 0 | 0 | 110 | ||
| 370 | H | 34 | Very low | 33.7 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | trans | -143 | 130.3 | 168.9 | -115 | -89.1 | 0 | 0 | 0 | 111.8 | ||||
| 371 | H | 34.5 | Very low | 34.2 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133.7 | 167.2 | -93.2 | -73.2 | 0 | 0 | 0 | 110.3 | ||
| 372 | H | 33.9 | Very low | 34.4 | Very low | 187 Ų | 187 | 154.8 Ų | 154.8 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 127 | 155 | -110.3 | -74.4 | 0 | 0 | 0 | 110.7 | ||
| 373 | H | 32.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 157 Ų | 157 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 138.6 | 176.8 | -86.2 | 31 | 0 | 0 | 0 | 111.8 | ||
| 374 | H | 35.9 | Very low | 35 | Very low | 192 Ų | 192 | 158.1 Ų | 158.1 | 89% | 0.889 | 78% | 0.783 | S | S | * | * | trans | -83.8 | 110.1 | 158.7 | -119.8 | -58.1 | 0 | 0 | 0 | 108.9 | H376 | H374-H376 PolarHBondContact O-N 3.17Å; H374-H376 VanDerWaalsContact O-N 3.17Å | ||
| 375 | H | 34.6 | Very low | 35.6 | Very low | 171 Ų | 171 | 158.2 Ų | 158.2 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -66.8 | 113.3 | -179.8 | -120.6 | -79.1 | 0 | 0 | 0 | 111.2 | ||||
| 376 | H | 36.6 | Very low | 36.2 | Very low | 160 Ų | 160 | 156 Ų | 156 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -91 | 103.6 | 177.7 | -135.7 | -77.9 | 0 | 0 | 0 | 109.5 | H374 H378 | H374-H376 PolarHBondContact O-N 3.17Å; H374-H376 VanDerWaalsContact O-N 3.17Å; H376-H378 PolarHBondContact O-N 3.1Å | ||
| 377 | H | 34.2 | Very low | 36.3 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -76.6 | 88.7 | 179.8 | -125.2 | -64.1 | 0 | 0 | 0 | 111 | ||||
| 378 | H | 35.2 | Very low | 36.2 | Very low | 134 Ų | 134 | 154.5 Ų | 154.5 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | trans | -81.6 | 114.7 | 174.8 | -122.5 | -111.4 | 0 | 0 | 0 | 110.2 | H376 H380 | H376-H378 PolarHBondContact O-N 3.1Å; H378-H380 AromaticContact CE1-NE2 3.95Å; H378-H380 AromaticContact ND1-CD2 3.41Å; H378-H380 PolarHBondContact ND1-CD2 3.44Å; H378-H380 AromaticContact ND1-NE2 3.2Å; H378-H380 PolarHBondContact ND1-NE2 3.35Å; H378-H380 VanDerWaalsContact ND1-NE2 3.2Å; H378-H380 PolarHBondContact O-N 3.04Å | ||
| 379 | H | 37.4 | Very low | 36.8 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -88.6 | 91.7 | 172.4 | -127.3 | -65.2 | 0 | 0 | 0 | 109.4 | ||||
| 380 | H | 34.1 | Very low | 36.8 | Very low | 134 Ų | 134 | 154.7 Ų | 154.7 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | trans | -78.2 | 122.6 | 172.9 | -94.7 | -99.8 | 0 | 0 | 0 | 110.9 | H378 | H378-H380 AromaticContact CE1-NE2 3.95Å; H378-H380 AromaticContact ND1-CD2 3.41Å; H378-H380 PolarHBondContact ND1-CD2 3.44Å; H378-H380 AromaticContact ND1-NE2 3.2Å; H378-H380 PolarHBondContact ND1-NE2 3.35Å; H378-H380 VanDerWaalsContact ND1-NE2 3.2Å; H378-H380 PolarHBondContact O-N 3.04Å | ||
| 381 | H | 39.9 | Very low | 36.8 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -79.2 | 116 | 157.4 | -94.5 | -85.3 | 0 | 0 | 0 | 108.4 | ||||
| 382 | H | 36.4 | Very low | 36.7 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -78.3 | 122 | 164.4 | -92.4 | -95.7 | 0 | 0 | 0 | 109.7 | ||||
| 383 | H | 38.5 | Very low | 37.1 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | trans | -90.2 | 139.7 | 158.1 | -82.1 | -93.6 | 0 | 0 | 0 | 108.8 | ||||
| 384 | S | 38.5 | Very low | 36.9 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -108.8 | 145.2 | 168.2 | -60.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 385 | P | 43.6 | Very low | 36.8 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -80.1 | 159.9 | -176.9 | 33 | -35.9 | 0 | 0 | 0 | 113.2 | ||||
| 386 | P | 43.8 | Very low | 37 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -93.1 | 157.2 | -178.5 | 37 | -35.4 | 0 | 0 | 0 | 114.2 | ||||
| 387 | T | 32.8 | Very low | 36.9 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -141.2 | 163.2 | 172.7 | 31.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 388 | P | 40.4 | Very low | 36.7 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -89.9 | 169.9 | -147.9 | 34.7 | -37.5 | 0 | 0 | 0 | 117 | ||||
| 389 | P | 44.3 | Very low | 36.5 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -98.9 | 162.2 | -169.4 | 38.6 | -36.1 | 0 | 0 | 0 | 115.4 | ||||
| 390 | H | 32.2 | Very low | 36.2 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | -146.4 | 132.9 | 161.7 | -100.9 | -76.3 | 0 | 0 | 0 | 113.8 | ||||
| 391 | H | 32.9 | Very low | 36.1 | Very low | 173 Ų | 173 | 145 Ų | 145 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | 46.1 | 148.6 | 158.1 | -60.5 | -50.1 | 0 | 0 | 0 | 124.9 | ||||
| 392 | Q | 33.2 | Very low | 35.9 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -92.7 | 172.2 | 171.8 | -49.5 | 171 | -26.1 | 0 | 0 | 110.1 | ||||
| 393 | P | 41.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | -136.9 | -177.7 | 74.9 | 18 | 6.1 | 0 | 0 | 0 | 112.4 | |||||
| 394 | A | 29.4 | Very low | 35.7 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | -159.7 | 174.3 | -27.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 395 | A | 32.4 | Very low | 35.5 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | -80.8 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 396 | P | 39.4 | Very low | 35.1 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | -131.6 | 173.2 | 89.5 | 38.9 | -30.4 | 0 | 0 | 0 | 115.3 | |||||
| 397 | Q | 33.4 | Very low | 34.5 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -109.6 | 156.5 | -176.5 | -57 | 171.3 | -14.8 | 0 | 0 | 112 | ||||
| 398 | Q | 31.1 | Very low | 34.4 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | -174.9 | 116.6 | 129.5 | -100.2 | 165.6 | 29.8 | 0 | 0 | 109.7 | |||||
| 399 | Q | 30.5 | Very low | 33.9 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | 74.8 | 104.1 | 91.3 | -74.4 | -175 | -3.4 | 0 | 0 | 115.8 | |||||
| 400 | H | 30.9 | Very low | 33.3 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | -157.2 | 172.1 | 122.7 | -114.7 | 69.1 | 0 | 0 | 0 | 113 | |||||
| 401 | Q | 31.7 | Very low | 33 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -117.8 | 146.3 | -150.8 | -166.4 | 179.3 | 36.4 | 0 | 0 | 113.3 | ||||
| 402 | P | 35.9 | Very low | 33.1 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -88.6 | 138.3 | 176.9 | 34.1 | -33.7 | 0 | 0 | 0 | 113.3 | ||||
| 403 | Q | 34.6 | Very low | 33 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | trans | -148 | 165.5 | 174.8 | -69.9 | -63 | -5.9 | 0 | 0 | 109.4 | ||||
| 404 | P | 37.4 | Very low | 32.6 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | -124.3 | 168.8 | -86.1 | 28.3 | -7.4 | 0 | 0 | 0 | 113.7 | |||||
| 405 | A | 34.5 | Very low | 32.6 | Very low | 90 Ų | 90 | 147.3 Ų | 147.3 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 139.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 406 | P | 35 | Very low | 32.8 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 139.3 | 173.9 | 30.4 | -33.9 | 0 | 0 | 0 | 111.6 | ||
| 407 | K | 31.2 | Very low | 32.4 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 136 | 175.4 | -57.1 | 171.2 | -177 | 174 | 0 | 110 | ||
| 408 | Y | 30.3 | Very low | 32.3 | Very low | 236 Ų | 236 | 152 Ų | 152 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -137.9 | 150.7 | 152.2 | -91.9 | -78.7 | 0 | 0 | 0 | 110.1 | ||||
| 409 | Q | 28.9 | Very low | 32.4 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -94 | 164.7 | -164.8 | -62.6 | -166.3 | 35.3 | 0 | 0 | 113.7 | ||||
| 410 | L | 32.2 | Very low | 32.8 | Very low | 163 Ų | 163 | 151 Ų | 151 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -66.3 | 143.4 | 164.3 | -77.9 | 69.6 | 0 | 0 | 0 | 110.4 | ||||
| 411 | G | 26.4 | Very low | 32.9 | Very low | 82 Ų | 82 | 149 Ų | 149 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -126.8 | 115.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 412 | S | 35.1 | Very low | 33.2 | Very low | 109 Ų | 109 | 151.1 Ų | 151.1 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -114.1 | 125.2 | -169.5 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 413 | T | 31.1 | Very low | 33.6 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -133 | 140.5 | 159 | 48.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 414 | S | 32.9 | Very low | 33.7 | Very low | 103 Ų | 103 | 151.8 Ų | 151.8 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -119.6 | 131.8 | 180 | 59 | 0 | 0 | 0 | 0 | 110 | ||||
| 415 | Y | 30.1 | Very low | 34.1 | Very low | 223 Ų | 223 | 154 Ų | 154 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -138.1 | 133.6 | 161.5 | -71.9 | -69.9 | 0 | 0 | 0 | 110.8 | ||||
| 416 | L | 35.9 | Very low | 34.4 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -89.2 | 131.8 | 172.8 | -111.8 | 167.5 | 0 | 0 | 0 | 108.6 | ||||
| 417 | L | 30.8 | Very low | 34.5 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -159.3 | 159.1 | 156.9 | -114.2 | 147.9 | 0 | 0 | 0 | 111.4 | ||||
| 418 | D | 31.5 | Very low | 34.8 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -115.5 | 173.7 | -160.1 | -153.6 | -41.6 | 0 | 0 | 0 | 111.5 | ||||
| 419 | K | 33.3 | Very low | 35.6 | Very low | 187 Ų | 187 | 151.2 Ų | 151.2 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 89.3 | 149.9 | 170.1 | -58.6 | 170.9 | -177.4 | 172.3 | 0 | 117.2 | ||||
| 420 | P | 39.6 | Very low | 36.4 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -95.5 | 150.3 | -162.3 | 36.5 | -35.9 | 0 | 0 | 0 | 114.9 | K422 | P420-K422 PolarHBondContact O-N 3.14Š| ||
| 421 | L | 33.5 | Very low | 36.7 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -63.2 | 124.5 | 171.8 | -77.9 | 163.8 | 0 | 0 | 0 | 112.2 | ||||
| 422 | K | 38 | Very low | 37.3 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -136.7 | 20.2 | 167.6 | -153.4 | -170 | 174.4 | -168.2 | 0 | 112.1 | P420 | P420-K422 PolarHBondContact O-N 3.14Š| ||
| 423 | V | 43.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 156 Ų | 156 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -130.4 | 61.9 | -171.1 | -168 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 424 | E | 37.6 | Very low | 37.6 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -142.6 | 17.4 | 175.1 | -147.1 | 179.3 | 175 | 0 | 0 | 112.2 | ||
| 425 | M | 44.8 | Very low | 37.4 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -117.8 | -15.1 | -178.7 | -163.6 | 168.7 | 68.5 | 0 | 0 | 113.4 | ||
| 426 | E | 40.9 | Very low | 37.5 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 66% | 0.659 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -103.4 | -23.9 | -175.4 | -66.8 | 174.3 | 156.1 | 0 | 0 | 112.6 | F428 L429 | E426-F428 PolarHBondContact O-N 3.08Å; E426-F428 VanDerWaalsContact O-N 3.14Å; E426-L429 PolarHBondContact O-N 3.05Å |
| 427 | S | 36.7 | Very low | 37.6 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -62.1 | -20.7 | 175.2 | -168.2 | 0 | 0 | 0 | 0 | 113.7 | L429 | S427-L429 VanDerWaalsContact C-N 3.33Š|
| 428 | F | 38.3 | Very low | 37.8 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -86.3 | 2.7 | -179 | -110.2 | -81.7 | 0 | 0 | 0 | 114.3 | E426 | E426-F428 PolarHBondContact O-N 3.08Å; E426-F428 VanDerWaalsContact O-N 3.14Å |
| 429 | L | 46.5 | Very low | 38 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -118.8 | 0.7 | -179.4 | -79.3 | 170.1 | 0 | 0 | 0 | 114.3 | E426 S427 | E426-L429 PolarHBondContact O-N 3.05Å; S427-L429 VanDerWaalsContact C-N 3.33Å |
| 430 | M | 46.8 | Very low | 37.9 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -104.3 | -2.3 | -175.7 | -74 | -97.7 | 58.7 | 0 | 0 | 114.8 | ||
| 431 | D | 38.8 | Very low | 38.6 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -111.6 | 31.9 | -167.5 | -148.2 | 7.4 | 0 | 0 | 0 | 113.8 | ||
| 432 | L | 38.7 | Very low | 38.2 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -138.7 | 15.6 | -179.2 | -88.4 | 176 | 0 | 0 | 0 | 114.4 | ||
| 433 | Q | 40.5 | Very low | 37.7 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -137.5 | 47.4 | -172.3 | -159.9 | 93.1 | 47.8 | 0 | 0 | 113.5 | ||||
| 434 | S | 31.8 | Very low | 37.1 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -147.5 | 93.4 | 179.7 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 435 | G | 28.3 | Very low | 37.9 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -173 | 107.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 436 | L | 32.4 | Very low | 37.2 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | 74.8 | 154.9 | 157.1 | -60.9 | -176.3 | 0 | 0 | 0 | 116.6 | ||||
| 437 | P | 37.7 | Very low | 36.7 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | -124.7 | 174.9 | -122.9 | 41.1 | -29.4 | 0 | 0 | 0 | 115.8 | |||||
| 438 | G | 35.3 | Very low | 36.4 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -110.6 | 166.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 439 | P | 35.3 | Very low | 35.8 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -113.6 | 169.6 | 160.5 | 36.9 | -26.6 | 0 | 0 | 0 | 113.3 | ||||
| 440 | V | 30.2 | Very low | 35 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -132.7 | -175.5 | -174.9 | -68.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 441 | P | 56.1 | Low | 35.4 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -129.1 | -179.4 | -26.3 | 30.5 | -10.6 | 0 | 0 | 0 | 113.5 | ||||
| 442 | S | 25.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | 163.3 | 152.7 | 140 | -76.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 443 | A | 26.6 | Very low | 35.9 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | cis | -169.4 | 134 | -26.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 444 | E | 31.3 | Very low | 35.3 | Very low | 174 Ų | 174 | 119 Ų | 119 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 66.7 | 166.5 | 142.3 | -77.4 | -62.4 | 89.6 | 0 | 0 | 120.1 | ||||
| 445 | P | 54 | Low | 35.2 | Very low | 86 Ų | 86 | 117.4 Ų | 117.4 | 56% | 0.558 | 77% | 0.772 | S | S | * | * | -134.7 | -157.3 | -119 | 44.1 | -24.1 | 0 | 0 | 0 | 115.7 | |||||
| 446 | H | 30.4 | Very low | 35.5 | Very low | 176 Ų | 176 | 122.6 Ų | 122.6 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | 151.2 | 121.4 | 154.7 | -77.2 | -51.6 | 0 | 0 | 0 | 108.8 | ||||
| 447 | A | 30.2 | Very low | 35.5 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | 75.1 | 137.1 | 67.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 448 | A | 29.3 | Very low | 35.9 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | cis | -170.4 | -177 | -12.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 449 | A | 26.2 | Very low | 35.7 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 82.8 | 166.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 450 | S | 28.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -134.3 | -139.1 | -153.5 | -56 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 451 | P | 55.8 | Low | 35.5 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | trans | -117.4 | -142.5 | -130.5 | 42 | -19.8 | 0 | 0 | 0 | 111.4 | ||||
| 452 | P | 55.1 | Low | 34.3 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -134.5 | -171.5 | -17.5 | 31.1 | -7.5 | 0 | 0 | 0 | 114.4 | ||||
| 453 | K | 32.7 | Very low | 34.5 | Very low | 162 Ų | 162 | 120.4 Ų | 120.4 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | 165.2 | 150.2 | 115.9 | -94.5 | -178.6 | 146.6 | -76.9 | 0 | 118.5 | |||||
| 454 | D | 29.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 123 Ų | 123 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | 53.9 | 144 | 146.4 | -48.1 | -16.3 | 0 | 0 | 0 | 121.9 | ||||
| 455 | G | 29.4 | Very low | 34.6 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 174.8 | 7.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 456 | L | 33 | Very low | 33.6 | Very low | 181 Ų | 181 | 123.9 Ų | 123.9 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | trans | 50.5 | 119.8 | 162.8 | -66.7 | 169.2 | 0 | 0 | 0 | 122.6 | ||||
| 457 | E | 32.7 | Very low | 33.5 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -63.5 | 171.6 | 149.1 | -89.9 | -75.6 | 123.6 | 0 | 0 | 111.7 | ||||
| 458 | P | 46.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 120.8 Ų | 120.8 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -157.4 | 173.9 | 40.6 | 43.3 | -20.6 | 0 | 0 | 0 | 122 | ||||
| 459 | T | 32.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | 65.2 | 159.9 | 146.8 | 48.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 460 | S | 32.4 | Very low | 34.2 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | cis | -173.7 | 160.9 | -19.1 | 51.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 461 | G | 27.5 | Very low | 34.2 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | cis | 151.7 | 164.7 | 3.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 462 | L | 32.5 | Very low | 32.9 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | 70 | 136.5 | 172.3 | -52.4 | 177.5 | 0 | 0 | 0 | 114.1 | ||||
| 463 | A | 29.1 | Very low | 31.6 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | cis | 119.5 | 152.5 | 46.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 464 | D | 29.2 | Very low | 31.4 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | cis | -160.8 | 178.5 | -13.4 | -116.8 | -47.8 | 0 | 0 | 0 | 110.2 | ||||
| 465 | D | 29.6 | Very low | 31.5 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 65.1 | 122.3 | 151.9 | -80.1 | -39.8 | 0 | 0 | 0 | 125.2 | ||||
| 466 | L | 33.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | 69.4 | 113.7 | 127.6 | -64.9 | 168 | 0 | 0 | 0 | 125.2 | |||||
| 467 | C | 29.4 | Very low | 32 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | 66 | 124.3 | 120 | -158.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 468 | G | 27.2 | Very low | 32.1 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | 170.8 | 68.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 469 | D | 30.5 | Very low | 31.2 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -66.7 | 147 | 150.9 | -96.9 | -57.8 | 0 | 0 | 0 | 108.6 | ||||
| 470 | P | 41.8 | Very low | 31.1 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -156.6 | 155.5 | 57.7 | 40.6 | -18.9 | 0 | 0 | 0 | 120.1 | |||||
| 471 | L | 28.7 | Very low | 30.9 | Very low | 149 Ų | 149 | 129 Ų | 129 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 66.3 | 138.2 | 135.3 | -68.8 | 172.5 | 0 | 0 | 0 | 124.1 | ||||
| 472 | L | 29.4 | Very low | 31.1 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 77 | 96.6 | 139.2 | -73.3 | 167.3 | 0 | 0 | 0 | 122.3 | ||||
| 473 | S | 26.8 | Very low | 31.2 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | 112.8 | 158.2 | 106.4 | 81.2 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 474 | K | 28.6 | Very low | 31.3 | Very low | 191 Ų | 191 | 132.5 Ų | 132.5 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | 69.8 | 86.5 | 162.6 | -65 | 165 | -174.4 | 170.1 | 0 | 117.8 | ||||
| 475 | S | 30.9 | Very low | 31.5 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -34.7 | 166.8 | 134.5 | 56.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 476 | P | 46.4 | Very low | 31.7 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | cis | -129.8 | 163.6 | -10.4 | 36.5 | -20.7 | 0 | 0 | 0 | 114.2 | ||||
| 477 | A | 26.6 | Very low | 31.7 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -140 | 142.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 478 | V | 34.9 | Very low | 32.1 | Very low | 141 Ų | 141 | 130 Ų | 130 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -108.9 | 122.4 | 179 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 479 | I | 28.2 | Very low | 32.3 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -135.8 | 143.4 | 150.8 | -52.3 | -178.1 | 0 | 0 | 0 | 106.4 | ||||
| 480 | A | 30.1 | Very low | 32.7 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -83.6 | 163.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 481 | E | 29.2 | Very low | 32.5 | Very low | 191 Ų | 191 | 132 Ų | 132 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | -165.8 | 157.8 | 118.9 | -116 | -174.3 | 179.8 | 0 | 0 | 115.7 | |||||
| 482 | S | 29.8 | Very low | 33.2 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 58.9 | 150.6 | 151.2 | -146.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 483 | L | 34.9 | Very low | 33.7 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -83 | 159.5 | -176.6 | -61.4 | 71.4 | 0 | 0 | 0 | 110.8 | ||||
| 484 | C | 32.3 | Very low | 34.3 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | -153 | 129.9 | 124.8 | -136.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 485 | A | 33.1 | Very low | 34.4 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -104.6 | 108.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N487 | A485-N487 PolarHBondContact O-N 3.22Š| ||
| 486 | A | 33.4 | Very low | 34.5 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -77.8 | 90.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 487 | N | 33.6 | Very low | 33.8 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -62.9 | 137.8 | 151.5 | -89.1 | -30.3 | 0 | 0 | 0 | 108.5 | A485 | A485-N487 PolarHBondContact O-N 3.22Š| ||
| 488 | M | 37.8 | Very low | 34.4 | Very low | 153 Ų | 153 | 139 Ų | 139 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -111.1 | 102.9 | 170.1 | -70.2 | -92.4 | 69.5 | 0 | 0 | 108.5 | F490 | M488-F490 HydrophobicContact CB-CE2 4.3Š| ||
| 489 | D | 31.2 | Very low | 34.3 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 150.6 | 170.3 | -167.5 | -4.9 | 0 | 0 | 0 | 110.1 | S491 | D489-S491 WeakPolarHBondContact OD1-CB 3.33Å; D489-S491 PolarHBondContact OD1-N 2.86Å; D489-S491 PolarHBondContact OD1-OG 3.45Å; D489-S491 PolarHBondContact OD2-OG 2.65Å | ||
| 490 | F | 39.1 | Very low | 34.4 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 74% | 0.737 | 79% | 0.794 | S | S | * | * | trans | -125.5 | 16.6 | 179.5 | -82.3 | -86.4 | 0 | 0 | 0 | 112.8 | M488 H492 | M488-F490 HydrophobicContact CB-CE2 4.3Å; F490-H492 PolarHBondContact O-N 2.99Å | ||
| 491 | S | 37.9 | Very low | 34.7 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 21.5 | -174.2 | -60.7 | 0 | 0 | 0 | 0 | 116.6 | D489 | D489-S491 WeakPolarHBondContact OD1-CB 3.33Å; D489-S491 PolarHBondContact OD1-N 2.86Å; D489-S491 PolarHBondContact OD1-OG 3.45Å; D489-S491 PolarHBondContact OD2-OG 2.65Å |
| 492 | H | 43.7 | Very low | 35.1 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 23.6 | -175.9 | -77.1 | -73.2 | 0 | 0 | 0 | 115 | F490 | F490-H492 PolarHBondContact O-N 2.99Š|
| 493 | L | 38.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -125.1 | 29.4 | 178.5 | -76.6 | 176.3 | 0 | 0 | 0 | 114.8 | ||
| 494 | L | 40.5 | Very low | 35.3 | Very low | 179 Ų | 179 | 143 Ų | 143 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | -141.8 | 134.8 | 167.9 | -72.6 | 177.2 | 0 | 0 | 0 | 111.7 | ||||
| 495 | G | 30.4 | Very low | 35.4 | Very low | 66 Ų | 66 | 141.3 Ų | 141.3 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | 116 | 128.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 496 | F | 32.4 | Very low | 35.5 | Very low | 207 Ų | 207 | 141.4 Ų | 141.4 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | cis | -146 | 157.5 | -1.5 | -84.2 | -97.6 | 0 | 0 | 0 | 110 | ||||
| 497 | L | 32.7 | Very low | 35.8 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 178.8 | 160.6 | 135.8 | -91.7 | 161.9 | 0 | 0 | 0 | 108.3 | ||||
| 498 | P | 39.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -105.4 | 166.2 | -139 | 39.3 | -38.6 | 0 | 0 | 0 | 116.3 | ||||
| 499 | L | 32.7 | Very low | 35.3 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -89.2 | 139.5 | 165.6 | -68.5 | 171 | 0 | 0 | 0 | 111.2 | ||||
| 500 | N | 30.3 | Very low | 35.5 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -147.1 | 155.9 | 149 | -112.5 | -71.7 | 0 | 0 | 0 | 109.9 | ||||
| 501 | L | 35.7 | Very low | 35.1 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -90.6 | 160.7 | -162.7 | -104.8 | 69.1 | 0 | 0 | 0 | 112.7 | ||||
| 502 | P | 38.1 | Very low | 34.7 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -142.3 | 171.8 | 66.5 | 32.9 | -11 | 0 | 0 | 0 | 116.5 | |||||
| 503 | P | 40.2 | Very low | 34.2 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -83 | 152.3 | -179.3 | 33.9 | -36 | 0 | 0 | 0 | 113.6 | ||||
| 504 | Y | 28.6 | Very low | 33.9 | Very low | 217 Ų | 217 | 136.3 Ų | 136.3 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -127.4 | 129.6 | 169.1 | -167 | -100.3 | 0 | 0 | 0 | 110.5 | ||||
| 505 | S | 33 | Very low | 33.7 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 149.3 | -177.7 | 44.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 506 | A | 35.6 | Very low | 33.7 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 132.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M508 | A506-M508 PolarHBondContact O-N 3.45Š|
| 507 | P | 40 | Very low | 33.7 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 121.3 | 176.6 | 29.6 | -33 | 0 | 0 | 0 | 111.4 | ||
| 508 | M | 31.8 | Very low | 33.7 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 132 | 156.6 | -68.8 | -89.3 | 78.6 | 0 | 0 | 108.4 | A506 | A506-M508 PolarHBondContact O-N 3.45Š|
| 509 | S | 30.5 | Very low | 33.4 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 119.4 | 175.6 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 510 | T | 35.4 | Very low | 33.3 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -144.6 | 138.7 | 176.4 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 511 | G | 29.5 | Very low | 33.3 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 98.1 | 135.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 512 | G | 30 | Very low | 33.1 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | cis | 153.9 | 114.3 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 513 | L | 33 | Very low | 32.8 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | -127.8 | 136.3 | 170 | -78.1 | 174.4 | 0 | 0 | 0 | 109.8 | ||||
| 514 | V | 33.2 | Very low | 32.3 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -103.5 | 125.7 | -174.3 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 515 | M | 35.6 | Very low | 32.4 | Very low | 185 Ų | 185 | 123.6 Ų | 123.6 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | -159.4 | 145.1 | 144.8 | -151.1 | 125.5 | -71.8 | 0 | 0 | 107.5 | ||||
| 516 | G | 29.9 | Very low | 32.3 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | -168.5 | 171.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 517 | Y | 33.2 | Very low | 32 | Very low | 214 Ų | 214 | 124 Ų | 124 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -158.7 | 138.9 | 177.9 | 33.1 | -98.7 | 0 | 0 | 0 | 111.6 | ||||
| 518 | T | 31.7 | Very low | 31.6 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | 37.3 | 113.7 | 155.4 | 56.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 519 | S | 32.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 120 Ų | 120 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | 61.5 | 124.7 | 87.8 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 520 | S | 30.8 | Very low | 31.7 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -151.3 | 135.4 | 42.2 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 521 | V | 30.4 | Very low | 31.5 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | 59.3 | 101.1 | 86.9 | -175.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 522 | T | 31.5 | Very low | 31.5 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | -160.4 | 114.2 | 120.3 | 40.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 523 | S | 31.4 | Very low | 31.5 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | 33 | 120.1 | 131.8 | -42.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 524 | S | 30.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | 60.3 | 140.3 | 65.9 | 76.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 525 | T | 30.4 | Very low | 31.3 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | cis | -127.2 | 161.1 | 23 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 526 | S | 30.9 | Very low | 32.2 | Very low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | 57.7 | 144.8 | 51.8 | 89.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 527 | S | 31.3 | Very low | 32.3 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -151.9 | -174.3 | 26.3 | -56.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 528 | S | 31.6 | Very low | 32.2 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -69 | -175.6 | 168.7 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 529 | S | 31.2 | Very low | 32.1 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | cis | -170.2 | 144.7 | 24.1 | 7.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 530 | S | 32 | Very low | 31.9 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 56 | 148.1 | 129 | -45.2 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 531 | L | 30.8 | Very low | 31.9 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 74.1 | 123.3 | 162.3 | -59.6 | 169.1 | 0 | 0 | 0 | 117.1 | ||||
| 532 | H | 30.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 120.9 Ų | 120.9 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | -154.3 | -179 | 56.8 | -104.5 | 151.8 | 0 | 0 | 0 | 114.4 | |||||
| 533 | S | 30.1 | Very low | 31.7 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -107.5 | 145.6 | -170.8 | -44.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 534 | A | 28.9 | Very low | 31.7 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | trans | -167.6 | 140.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 535 | E | 32.5 | Very low | 31.6 | Very low | 186 Ų | 186 | 118.7 Ų | 118.7 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -119.5 | 174.3 | 164.3 | -109.3 | -149.7 | 134 | 0 | 0 | 108 | ||||
| 536 | P | 54 | Low | 31.6 | Very low | 97 Ų | 97 | 117.8 Ų | 117.8 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | cis | -127.5 | -169.2 | -31.4 | 36.5 | -20.2 | 0 | 0 | 0 | 110.6 | ||||
| 537 | H | 32.2 | Very low | 31.6 | Very low | 199 Ų | 199 | 117.8 Ų | 117.8 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -136.9 | 140.3 | 163.8 | -105.1 | -85 | 0 | 0 | 0 | 113.1 | ||||
| 538 | A | 31.6 | Very low | 31.5 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -111.8 | 171 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 539 | A | 30.8 | Very low | 31.5 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -73.1 | 148.5 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 540 | A | 28.2 | Very low | 31.5 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -124.1 | 167 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 541 | V | 29.1 | Very low | 31.5 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -146.8 | 156.9 | -154.6 | 150.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 542 | A | 30 | Very low | 32.6 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | 73.3 | 163.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 543 | A | 29.1 | Very low | 32.5 | Very low | 91 Ų | 91 | 116.6 Ų | 116.6 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | cis | -170.6 | 147.8 | -33.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 544 | A | 29.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 117 Ų | 117 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 62.5 | 162 | 141.6 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 545 | A | 28.5 | Very low | 32.5 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 90.7 | 70 | 150.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 546 | A | 29.9 | Very low | 32.3 | Very low | 100 Ų | 100 | 116 Ų | 116 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | 42.3 | 131.8 | 117.1 | 0 | 0 | 0 | 0 | 0 | 125 | |||||
| 547 | A | 31.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 119 Ų | 119 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 75.3 | 135.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 548 | V | 29.4 | Very low | 31.6 | Very low | 150 Ų | 150 | 115 Ų | 115 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | -170 | 161.9 | 114.2 | 147.2 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 549 | A | 31.5 | Very low | 31.4 | Very low | 85 Ų | 85 | 118 Ų | 118 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -113.1 | 165.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 550 | T | 30.9 | Very low | 32.3 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -166.3 | 155.5 | 138.6 | 17.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 551 | A | 33.1 | Very low | 32.2 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -113.3 | -168 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 552 | P | 53.7 | Low | 32 | Very low | 111 Ų | 111 | 120 Ų | 120 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | cis | -148.8 | -164.5 | 32.8 | 31.9 | -3.7 | 0 | 0 | 0 | 116.9 | ||||
| 553 | L | 28.6 | Very low | 32 | Very low | 143 Ų | 143 | 122 Ų | 122 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | 112.2 | 113.8 | 148.2 | -62.5 | 177.2 | 0 | 0 | 0 | 120.3 | ||||
| 554 | T | 30.2 | Very low | 32.1 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 57 | 145.3 | 136.3 | 52.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 555 | S | 28.4 | Very low | 31.9 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | cis | -167.9 | 168.9 | -11.9 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 556 | L | 27.4 | Very low | 32.1 | Very low | 169 Ų | 169 | 124.6 Ų | 124.6 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | trans | 72.7 | 147.9 | 158.6 | -77.2 | 158.9 | 0 | 0 | 0 | 121.8 | ||||
| 557 | Q | 30.7 | Very low | 32.1 | Very low | 160 Ų | 160 | 124.9 Ų | 124.9 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -107.4 | 169.7 | 175.6 | -126.9 | -176.3 | -47.8 | 0 | 0 | 108.7 | ||||
| 558 | P | 41.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | -149.3 | -170 | 59.8 | 40.3 | -18.2 | 0 | 0 | 0 | 116.6 | |||||
| 559 | Q | 28 | Very low | 31.9 | Very low | 161 Ų | 161 | 120.9 Ų | 120.9 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | -96.7 | -162.3 | 164.4 | -48.8 | -172.7 | -28.7 | 0 | 0 | 110.2 | ||||
| 560 | P | 48.6 | Very low | 31.9 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 61% | 0.61 | 75% | 0.749 | S | S | * | * | cis | -133.8 | -165.8 | -17.7 | 30.9 | -7.9 | 0 | 0 | 0 | 113.9 | ||||
| 561 | Q | 26 | Very low | 32 | Very low | 161 Ų | 161 | 121.8 Ų | 121.8 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | 75.7 | 158 | 148.6 | -118.3 | 170.7 | -70.5 | 0 | 0 | 115.9 | ||||
| 562 | E | 25.7 | Very low | 32 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 59% | 0.589 | 75% | 0.753 | S | S | * | * | cis | -144.1 | 148.6 | 21.7 | -83.1 | -113 | 89 | 0 | 0 | 114.9 | ||||
| 563 | Q | 30.6 | Very low | 30.9 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | trans | 61 | 168.4 | 138.9 | -64.7 | -173.1 | 28.4 | 0 | 0 | 120.5 | ||||
| 564 | Q | 29.9 | Very low | 32.1 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -151.1 | 155.4 | 12 | -146.3 | 165.7 | 62.3 | 0 | 0 | 113.1 | ||||
| 565 | S | 27 | Very low | 32.1 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | 28 | 154.9 | 146.4 | 60.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 566 | S | 31.7 | Very low | 32.5 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | -179.1 | 174 | -19.4 | 58.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 567 | S | 30.3 | Very low | 33 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 40 | 124.8 | 152.1 | 55.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 568 | G | 27.1 | Very low | 33.3 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | cis | 104.2 | 115.3 | 27.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 569 | G | 28 | Very low | 34.2 | Very low | 79 Ų | 79 | 124 Ų | 124 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | trans | -178.5 | 144.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 570 | L | 33.3 | Very low | 35.4 | Very low | 180 Ų | 180 | 121.4 Ų | 121.4 | 94% | 0.942 | 75% | 0.748 | S | S | * | * | trans | -127 | 135.5 | -172.5 | -74.3 | 171.7 | 0 | 0 | 0 | 112.7 | ||||
| 571 | G | 32.7 | Very low | 34.7 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 88 | 132.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 572 | L | 32.2 | Very low | 34.9 | Very low | 184 Ų | 184 | 123.9 Ų | 123.9 | 96% | 0.963 | 76% | 0.757 | S | S | * | * | 164.6 | 148.1 | 126.5 | -85 | 174.4 | 0 | 0 | 0 | 109.3 | |||||
| 573 | G | 31.7 | Very low | 35.1 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | -121.1 | -156.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 574 | P | 53.3 | Low | 35.3 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | cis | -137.1 | -144.7 | 2.3 | 41.4 | -21.1 | 0 | 0 | 0 | 112.7 | ||||
| 575 | L | 29.2 | Very low | 35.3 | Very low | 171 Ų | 171 | 120.1 Ų | 120.1 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | 103.9 | 157.4 | 164.7 | -55.5 | -178.8 | 0 | 0 | 0 | 118.5 | ||||
| 576 | H | 37.2 | Very low | 35.6 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 68% | 0.676 | 79% | 0.785 | S | S | * | * | trans | -159.9 | 142.1 | -162.7 | 173.3 | -100.5 | 0 | 0 | 0 | 109.7 | ||||
| 577 | P | 39.2 | Very low | 35.6 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -144.4 | 153.3 | 133.3 | 35.8 | -20.1 | 0 | 0 | 0 | 116.4 | ||||
| 578 | L | 36.2 | Very low | 35.7 | Very low | 139 Ų | 139 | 125.2 Ų | 125.2 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | -96.7 | -166.4 | 159.2 | -72.4 | 170.4 | 0 | 0 | 0 | 108 | ||||
| 579 | P | 59.6 | Low | 36.1 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | cis | -119.7 | -141.4 | -3.5 | 46.5 | -28.7 | 0 | 0 | 0 | 108.9 | ||||
| 580 | P | 53.3 | Low | 36.4 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -115.8 | -160 | -11 | 21.9 | 5.9 | 0 | 0 | 0 | 111.4 | ||||
| 581 | V | 35.1 | Very low | 36.7 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | cis | -149 | 141.5 | 16.7 | -145 | 0 | 0 | 0 | 0 | 112 | ||||
| 582 | F | 29 | Very low | 37.4 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 23.1 | 139.4 | 150.2 | -75.6 | -116.7 | 0 | 0 | 0 | 122.1 | ||||
| 583 | S | 31.3 | Very low | 37.4 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | cis | 78.9 | 139.2 | 28.7 | -53.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 584 | S | 34.3 | Very low | 37.5 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | cis | -169.5 | 160.6 | -7.1 | -89.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 585 | S | 29.4 | Very low | 36.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -166.1 | 150.6 | 139.7 | -162.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 586 | L | 34.5 | Very low | 36.8 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -91.4 | 177.3 | 161.9 | -61.5 | 155.1 | 0 | 0 | 0 | 107.9 | ||||
| 587 | S | 31.4 | Very low | 36.7 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | -166.2 | -177.1 | 24.7 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 588 | N | 31.1 | Very low | 36.5 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 92.2 | 126.2 | 148 | -93.6 | -4.7 | 0 | 0 | 0 | 123.4 | ||||
| 589 | T | 35.6 | Very low | 36.7 | Very low | 123 Ų | 123 | 151.8 Ų | 151.8 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | 84.3 | 139.9 | 149.2 | 70.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 590 | T | 35.3 | Very low | 35.5 | Very low | 130 Ų | 130 | 153.7 Ų | 153.7 | 80% | 0.798 | 83% | 0.828 | S | S | * | * | trans | 88.2 | 109.2 | 152.3 | -44.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 591 | L | 39.4 | Very low | 34.6 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -92.7 | 158 | 162.7 | -70.6 | 166 | 0 | 0 | 0 | 111.2 | ||||
| 592 | P | 46.3 | Very low | 34.6 | Very low | 121 Ų | 121 | 158 Ų | 158 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | trans | -131.8 | 91.2 | 140.2 | 35.4 | -23.4 | 0 | 0 | 0 | 114.2 | ||||
| 593 | R | 33.9 | Very low | 34.9 | Very low | 222 Ų | 222 | 156.4 Ų | 156.4 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | 30.1 | 99.9 | 122.7 | -167.9 | -175.3 | -160.6 | 159.1 | 4 | 117.8 | |||||
| 594 | F | 32.2 | Very low | 35.1 | Very low | 214 Ų | 214 | 160 Ų | 160 | 94% | 0.939 | 85% | 0.851 | S | S | * | * | trans | -142.2 | 86.3 | 152.2 | -117.1 | -79.4 | 0 | 0 | 0 | 111.5 | ||||
| 595 | H | 35.5 | Very low | 35.2 | Very low | 188 Ų | 188 | 163 Ų | 163 | 87% | 0.87 | 85% | 0.854 | S | S | * | * | trans | -149.7 | 70.8 | 176.6 | -174.4 | -74.3 | 0 | 0 | 0 | 110.7 | ||||
| 596 | Q | 33.6 | Very low | 35.6 | Very low | 180 Ų | 180 | 166.2 Ų | 166.2 | 84% | 0.841 | 86% | 0.856 | S | S | * | * | trans | -158.9 | 76.6 | 172.4 | -164 | 165.9 | 4.3 | 0 | 0 | 112.3 | ||||
| 597 | A | 33.6 | Very low | 35.7 | Very low | 94 Ų | 94 | 166.5 Ų | 166.5 | 78% | 0.777 | 86% | 0.856 | S | S | * | * | trans | -160.8 | 42.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 598 | F | 35.8 | Very low | 36.1 | Very low | 217 Ų | 217 | 172.1 Ų | 172.1 | 95% | 0.952 | 87% | 0.87 | S | S | * | * | trans | -150.7 | 80.2 | 169.4 | -117.6 | -73.8 | 0 | 0 | 0 | 110.9 | ||||
| 599 | Q | 40.4 | Very low | 36.5 | Very low | 266 Ų | 266 | 174.5 Ų | 174.5 | 100% | 1.243 | 88% | 0.878 | S | S | * | * | trans | -138.8 | 0 | 161 | -120.9 | 178.5 | -6 | 0 | 0 | 106.9 |
Retrieved 599 of 599 residues in 900.3 ms
(Link to these results)