| 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 | Very low | 39.2 | Very low | 251 Ų | 251 | 143.8 Ų | 143.8 | 100% | 1.236 | 82% | 0.818 | S | S | * | * | 0 | 149.2 | 0 | -67 | 157.9 | 82.9 | 0 | 0 | 107.3 | |||||
| 2 | A | 39.8 | Very low | 38.7 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -99.1 | 150.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3 | S | 38.9 | Very low | 38.5 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -155.7 | 135.7 | 169 | -66.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | N | 46.7 | Very low | 38.2 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -111.5 | 154.9 | 172.6 | -55.7 | -53.3 | 0 | 0 | 0 | 109.3 | ||||
| 5 | S | 44.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 173.9 | 134.6 | 148.5 | -86.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 6 | I | 43.2 | Very low | 38.1 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | cis | 83.7 | 103.9 | 36.2 | -62.6 | -178.7 | 0 | 0 | 0 | 113.6 | ||||
| 7 | F | 40.2 | Very low | 38.1 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 80% | 0.803 | 79% | 0.789 | S | S | * | * | trans | 56.8 | 157.6 | 159.7 | -82.8 | -106.2 | 0 | 0 | 0 | 117.3 | ||||
| 8 | D | 36 | Very low | 38.2 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | cis | -162.2 | -172.8 | 40.6 | -152.9 | -13.3 | 0 | 0 | 0 | 113.8 | ||||
| 9 | S | 34.2 | Very low | 37.9 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 101.1 | 124.1 | 158.6 | -60.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 10 | F | 37.6 | Very low | 37.6 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 77% | 0.772 | 79% | 0.792 | S | S | * | * | trans | -105.4 | 177.6 | -179.8 | -64.8 | -113.8 | 0 | 0 | 0 | 111.4 | ||||
| 11 | S | 35.4 | Very low | 38.2 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | 168.9 | 133.2 | 109.9 | -73 | 0 | 0 | 0 | 0 | 115 | |||||
| 12 | N | 33.1 | Very low | 39 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | 149.9 | 110.6 | 121 | -77.9 | -39 | 0 | 0 | 0 | 115.6 | |||||
| 13 | Y | 36.3 | Very low | 38.8 | Very low | 218 Ų | 218 | 139.8 Ų | 139.8 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | 50.7 | 145.6 | 137 | -59.2 | -64.5 | 0 | 0 | 0 | 122.5 | ||||
| 14 | S | 34.4 | Very low | 38.9 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | cis | -153.7 | 154.2 | 4.4 | 63.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 15 | S | 37 | Very low | 38.7 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -4.8 | 157.1 | 147.1 | 53 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 16 | S | 38 | Very low | 38.5 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | cis | -178.9 | 174.6 | -11.6 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 17 | L | 37.8 | Very low | 38.2 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 143.2 | 166.1 | -45.4 | -174.6 | 0 | 0 | 0 | 117.6 | ||||
| 18 | L | 40.1 | Very low | 38.5 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | -166.5 | 152.9 | -17.6 | -123.6 | 170.7 | 0 | 0 | 0 | 112.3 | ||||
| 19 | R | 32.9 | Very low | 38.9 | Very low | 236 Ų | 236 | 148.7 Ų | 148.7 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 101.7 | 148.4 | 146.4 | -147.1 | 160.6 | -166.7 | 130.8 | 4.5 | 121 | ||||
| 20 | E | 31.4 | Very low | 39.2 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -142.2 | -175.4 | -166.8 | -126.5 | -159.9 | 140.2 | 0 | 0 | 108.3 | ||||
| 21 | P | 49.9 | Very low | 39 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -128.2 | -119.8 | -11.9 | 24.8 | 2.7 | 0 | 0 | 0 | 113.8 | ||||
| 22 | P | 52.3 | Low | 39.1 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | -126.9 | 164.7 | -112.8 | 40.8 | -23.6 | 0 | 0 | 0 | 116.5 | |||||
| 23 | T | 35.2 | Very low | 39.3 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -141.4 | 144.8 | 156 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 24 | T | 41.7 | Very low | 39.5 | Very low | 136 Ų | 136 | 144 Ų | 144 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -103.5 | 125.9 | 176.8 | 42.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 25 | R | 40.7 | Very low | 40.1 | Very low | 241 Ų | 241 | 145.3 Ų | 145.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -144.7 | 109.1 | 156.8 | -73 | -160.3 | -173.5 | -92 | -7.5 | 113.8 | ||||
| 26 | R | 40.6 | Very low | 40.1 | Very low | 234 Ų | 234 | 145.9 Ų | 145.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | 2.1 | 115.3 | 140.8 | -111 | 178.8 | -174.5 | 175.1 | 2.7 | 115.6 | ||||
| 27 | F | 37 | Very low | 40.2 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | trans | -68.2 | 136.6 | 154.2 | -116.7 | -98.4 | 0 | 0 | 0 | 109.2 | ||||
| 28 | T | 46.2 | Very low | 40.5 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 63% | 0.632 | 79% | 0.793 | S | S | * | * | trans | -133.5 | 132.2 | 179.2 | -45.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 29 | P | 44.3 | Very low | 40.9 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | -69.2 | 149.8 | -176.9 | 28.6 | -35.2 | 0 | 0 | 0 | 111.8 | S31 | P29-S31 PolarHBondContact O-N 2.95Å; P29-S31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | P | 41 | Very low | 41.3 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -76.9 | 100.3 | -178.7 | 30.7 | -34.2 | 0 | 0 | 0 | 111.7 | ||||
| 31 | S | 34.5 | Very low | 41.8 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -80.5 | 109.4 | 158.6 | -65.4 | 0 | 0 | 0 | 0 | 109.4 | P29 | P29-S31 PolarHBondContact O-N 2.95Å; P29-S31 VanDerWaalsContact O-N 3.14Å | ||
| 32 | T | 36.8 | Very low | 41.3 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -111.3 | 132.7 | 164.6 | 50.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 33 | S | 37.7 | Very low | 41 | Very low | 81 Ų | 81 | 143.8 Ų | 143.8 | 57% | 0.566 | 81% | 0.808 | S | S | * | * | trans | -142.7 | 149.3 | -169.3 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 34 | F | 40.4 | Very low | 41 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | 69.8 | 164.8 | 174 | -40 | -58.9 | 0 | 0 | 0 | 113.4 | ||||
| 35 | P | 46.9 | Very low | 41.2 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | cis | -91.3 | 151.8 | 38.7 | -11.8 | 30.2 | 0 | 0 | 0 | 116.1 | ||
| 36 | C | 37.6 | Very low | 41.4 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 136.8 | 153.7 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | K38 | C36-K38 PolarHBondContact O-N 3.08Š|
| 37 | S | 39.2 | Very low | 41.5 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 126.1 | 178.3 | -70.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 38 | K | 44.7 | Very low | 41.9 | Very low | 203 Ų | 203 | 125.4 Ų | 125.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 136.3 | -177.3 | -167.6 | 179.8 | -179.2 | -176.8 | 0 | 110.5 | C36 | C36-K38 PolarHBondContact O-N 3.08Š|
| 39 | I | 47.1 | Very low | 42 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 134.7 | 170.5 | -59.2 | 170.4 | 0 | 0 | 0 | 108.8 | ||
| 40 | G | 41.3 | Very low | 41.8 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -161.9 | 120 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 41 | D | 43 | Very low | 42.1 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -72.7 | 139.5 | -172.4 | -53 | -89.2 | 0 | 0 | 0 | 112.5 | ||||
| 42 | G | 39.8 | Very low | 42.5 | Very low | 72 Ų | 72 | 126 Ų | 126 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -174.5 | 99.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G44 | G42-G44 PolarHBondContact O-N 3.33Š| ||
| 43 | N | 44.8 | Very low | 43 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 98% | 0.979 | 79% | 0.789 | S | S | * | * | trans | -67 | 120.7 | 177.4 | -79 | -12.4 | 0 | 0 | 0 | 111.4 | ||||
| 44 | G | 36.7 | Very low | 43.2 | Very low | 60 Ų | 60 | 133.5 Ų | 133.5 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | trans | -158.6 | 134.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G42 M46 | G42-G44 PolarHBondContact O-N 3.33Å; G44-M46 PolarHBondContact O-N 3.3Å; G44-M46 VanDerWaalsContact O-N 3.08Å | ||
| 45 | P | 44.7 | Very low | 43.6 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -77.4 | 101.5 | -168.9 | 29.5 | -34.7 | 0 | 0 | 0 | 112.9 | A47 | P45-A47 PolarHBondContact O-N 3.07Š| ||
| 46 | M | 45.9 | Very low | 43.6 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | 21.9 | 67.8 | 140.9 | -160.5 | 172.9 | -169.9 | 0 | 0 | 117.2 | G44 T48 | G44-M46 PolarHBondContact O-N 3.3Å; G44-M46 VanDerWaalsContact O-N 3.08Å; M46-T48 PolarHBondContact O-N 3.44Å | ||
| 47 | A | 42.3 | Very low | 44.5 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | trans | -71.8 | 114.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P45 | P45-A47 PolarHBondContact O-N 3.07Š| ||
| 48 | T | 46 | Very low | 45.4 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.8 | -171.2 | -37.4 | 0 | 0 | 0 | 0 | 111.5 | M46 G50 | M46-T48 PolarHBondContact O-N 3.44Å; T48-G50 PolarHBondContact O-N 3.48Å |
| 49 | P | 46.7 | Very low | 46.6 | Very low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 117.3 | 162.9 | -21 | 32.7 | 0 | 0 | 0 | 108.3 | ||
| 50 | G | 41.1 | Very low | 48.2 | Very low | 61 Ų | 61 | 122.5 Ų | 122.5 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | T48 L52 | T48-G50 PolarHBondContact O-N 3.48Å; G50-L52 PolarHBondContact O-N 3.04Å |
| 51 | P | 46.7 | Very low | 50 | Low | 125 Ų | 125 | 121 Ų | 121 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 120.9 | -176 | -27.3 | 34.4 | 0 | 0 | 0 | 110.7 | R53 | P51-R53 PolarHBondContact O-N 3.06Š|
| 52 | L | 44.1 | Very low | 51.7 | Low | 160 Ų | 160 | 117.3 Ų | 117.3 | 84% | 0.838 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 121.8 | 154.9 | -80.4 | 166.3 | 0 | 0 | 0 | 105.6 | G50 T54 | G50-L52 PolarHBondContact O-N 3.04Å; L52-T54 PolarHBondContact O-N 2.73Å |
| 53 | R | 45.8 | Very low | 53.5 | Low | 246 Ų | 246 | 118.3 Ų | 118.3 | 93% | 0.928 | 67% | 0.672 | S | S | * | * | trans | -64.8 | 90 | 170.1 | -86.7 | -172.8 | 166.1 | -160.8 | -3.4 | 106.9 | P51 R55 | P51-R53 PolarHBondContact O-N 3.06Å; R53-R55 VanDerWaalsContact C-N 3.32Å; R53-R55 PolarHBondContact O-N 2.95Å | ||
| 54 | T | 43.6 | Very low | 55 | Low | 126 Ų | 126 | 110.2 Ų | 110.2 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | trans | -48.7 | 109.1 | 150.8 | 35.9 | 0 | 0 | 0 | 0 | 105.6 | L52 | L52-T54 PolarHBondContact O-N 2.73Š| ||
| 55 | R | 48.8 | Very low | 57.1 | Low | 135 Ų | 135 | 109.7 Ų | 109.7 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | trans | -54.8 | 145.1 | 167.4 | 175.6 | 176.5 | 166.5 | -106.6 | 10.4 | 106.1 | R53 D57 D106 | R53-R55 VanDerWaalsContact C-N 3.32Å; R53-R55 PolarHBondContact O-N 2.95Å; R55-D57 VanDerWaalsContact CB-OD1 3.22Å; R55-D57 WeakPolarHBondContact CB-OD1 3.25Å; R55-D57 VanDerWaalsContact CD-OD1 3.29Å; R55-D57 WeakPolarHBondContact CD-OD1 3.1Å; R55-D57 WeakPolarHBondContact CG-OD1 3.29Å; R55-D57 IonicContact CZ-OD1 3.64Å; R55-D57 IonicContact NE-OD1 3.64Å; R55-D57 IonicContact NH1-OD1 3.78Å; R55-D57 PolarHBondContact NH1-OD1 2.77Å; R55-D57 VanDerWaalsContact O-CG 3.27Å; R55-D57 PolarHBondContact O-N 2.77Å; R55-D106 IonicContact CZ-OD1 3.6Å; R55-D106 VanDerWaalsContact CZ-OD1 3.24Å; R55-D106 IonicContact NH1-OD1 3.77Å; R55-D106 PolarHBondContact NH1-OD1 3.14Å; R55-D106 IonicContact NH1-OD2 2.72Å; R55-D106 PolarHBondContact NH1-OD2 3.38Å; R55-D106 IonicContact NH2-OD1 2.77Å; R55-D106 PolarHBondContact NH2-OD1 2.71Å | ||
| 56 | P | 46.8 | Very low | 58.4 | Low | 111 Ų | 111 | 106.5 Ų | 106.5 | 72% | 0.721 | 60% | 0.597 | S | S | * | * | trans | -70.2 | 78.5 | 176.2 | 27.7 | -33.3 | 0 | 0 | 0 | 108.7 | N58 | P56-N58 PolarHBondContact O-N 2.9Š| ||
| 57 | D | 54.8 | Low | 59.6 | Low | 75 Ų | 75 | 104.3 Ų | 104.3 | 40% | 0.401 | 59% | 0.589 | S | S | . | * | trans | -76.6 | 24.7 | -168.3 | -67.4 | -37.3 | 0 | 0 | 0 | 113.1 | R55 | R55-D57 VanDerWaalsContact CB-OD1 3.22Å; R55-D57 WeakPolarHBondContact CB-OD1 3.25Å; R55-D57 VanDerWaalsContact CD-OD1 3.29Å; R55-D57 WeakPolarHBondContact CD-OD1 3.1Å; R55-D57 WeakPolarHBondContact CG-OD1 3.29Å; R55-D57 IonicContact CZ-OD1 3.64Å; R55-D57 IonicContact NE-OD1 3.64Å; R55-D57 IonicContact NH1-OD1 3.78Å; R55-D57 PolarHBondContact NH1-OD1 2.77Å; R55-D57 VanDerWaalsContact O-CG 3.27Å; R55-D57 PolarHBondContact O-N 2.77Å | ||
| 58 | N | 58.6 | Low | 61.2 | Low | 136 Ų | 136 | 103.3 Ų | 103.3 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -141.6 | 101.2 | 160 | -86.8 | -82.7 | 0 | 0 | 0 | 107.6 | P56 N60 | P56-N58 PolarHBondContact O-N 2.9Å; N58-N60 PolarHBondContact O-N 3.18Å |
| 59 | R | 69.6 | Low | 62.4 | Low | 127 Ų | 127 | 101.7 Ų | 101.7 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | trans | -67.1 | 116.6 | 168.1 | -76.3 | 179.3 | 166.8 | 167.7 | -3.8 | 108 | V61 V64 L104 | R59-V61 PolarHBondContact O-N 2.97Å; R59-V64 HydrophobicContact CB-CG2 3.85Å; R59-L104 HydrophobicContact CB-CD2 4.17Å; R59-L104 PolarHBondContact N-O 2.78Å | ||
| 60 | N | 81.6 | Confident | 63.9 | Low | 82 Ų | 82 | 99.4 Ų | 99.4 | 44% | 0.439 | 56% | 0.564 | S | S | . | * | trans | -65.8 | 140 | -177.6 | -162.3 | -50.3 | 0 | 0 | 0 | 110.4 | N58 V62 D63 V64 | N58-N60 PolarHBondContact O-N 3.18Å; N60-V62 PolarHBondContact O-N 3.26Å; N60-V62 VanDerWaalsContact O-N 3.16Å; N60-V62 PolarHBondContact OD1-N 3.45Å; N60-D63 HydrophobicContact CB-CB 4.45Å; N60-D63 VanDerWaalsContact CB-OD2 3.25Å; N60-D63 WeakPolarHBondContact CB-OD2 3.22Å; N60-D63 PolarHBondContact O-N 3.21Å; N60-V64 PolarHBondContact O-N 2.95Å | ||
| 61 | V | 79 | Confident | 66.2 | Low | 36 Ų | 36 | 100.6 Ų | 100.6 | 22% | 0.218 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -55.4 | -30.4 | 174.6 | -155.5 | 0 | 0 | 0 | 0 | 111.9 | R59 L65 R74 L81 L104 | R59-V61 PolarHBondContact O-N 2.97Å; V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 WeakPolarHBondContact O-CD1 3.23Å; V61-L65 PolarHBondContact O-N 3.47Å; V61-R74 HydrophobicContact CG1-CG 4.11Å; V61-R74 VanDerWaalsContact CG1-NE 3.32Å; V61-L81 HydrophobicContact CG1-CD2 3.96Å; V61-L104 HydrophobicContact CB-CD1 4.16Å; V61-L104 HydrophobicContact CG1-CD1 4.04Å; V61-L104 HydrophobicContact CG2-CD1 3.85Å |
| 62 | V | 78.8 | Confident | 68.5 | Low | 88 Ų | 88 | 95.2 Ų | 95.2 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.4 | -51.4 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | N60 V64 L65 A66 | N60-V62 PolarHBondContact O-N 3.26Å; N60-V62 VanDerWaalsContact O-N 3.16Å; N60-V62 PolarHBondContact OD1-N 3.45Å; V62-V64 PolarHBondContact O-N 2.98Å; V62-L65 PolarHBondContact O-N 3.41Å; V62-A66 PolarHBondContact O-N 3.18Å |
| 63 | D | 76.9 | Confident | 70.9 | Confident | 94 Ų | 94 | 89.5 Ų | 89.5 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | -175.8 | -49.9 | -23.1 | 0 | 0 | 0 | 111.2 | N60 L65 A66 D67 | N60-D63 HydrophobicContact CB-CB 4.45Å; N60-D63 VanDerWaalsContact CB-OD2 3.25Å; N60-D63 WeakPolarHBondContact CB-OD2 3.22Å; N60-D63 PolarHBondContact O-N 3.21Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.35Å; D63-A66 WeakPolarHBondContact O-CB 3.4Å; D63-A66 PolarHBondContact O-N 3.34Å; D63-D67 PolarHBondContact O-N 3.24Å |
| 64 | V | 77.7 | Confident | 73.3 | Confident | 13 Ų | 13 | 84.3 Ų | 84.3 | 8% | 0.079 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66 | -29.5 | 179.5 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | R59 N60 V62 H68 L72 L81 V102 L104 | R59-V64 HydrophobicContact CB-CG2 3.85Å; N60-V64 PolarHBondContact O-N 2.95Å; V62-V64 PolarHBondContact O-N 2.98Å; V64-H68 PolarHBondContact O-N 3Å; V64-H68 PolarHBondContact O-ND1 3.31Å; V64-L72 HydrophobicContact CG1-CD1 4.02Å; V64-L81 HydrophobicContact CB-CD1 4.24Å; V64-L81 HydrophobicContact CG1-CD1 3.75Å; V64-V102 HydrophobicContact CG1-CG1 4.37Å; V64-L104 HydrophobicContact CB-CD2 4.04Å; V64-L104 HydrophobicContact CG1-CD2 4.21Å; V64-L104 HydrophobicContact CG2-CD2 3.72Å |
| 65 | L | 79.4 | Confident | 75.8 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -76.7 | -26 | 171.9 | -101.1 | 59 | 0 | 0 | 0 | 112.8 | V61 V62 D63 H68 A69 L72 L81 | V61-L65 WeakPolarHBondContact O-CB 3.41Å; V61-L65 WeakPolarHBondContact O-CD1 3.23Å; V61-L65 PolarHBondContact O-N 3.47Å; V62-L65 PolarHBondContact O-N 3.41Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.35Å; L65-H68 CarbonylContact O-C 3.47Å; L65-A69 VanDerWaalsContact O-CA 3.23Å; L65-A69 WeakPolarHBondContact O-CA 3.19Å; L65-A69 PolarHBondContact O-N 3.31Å; L65-L72 HydrophobicContact CD1-CB 4.31Å; L65-L81 HydrophobicContact CD1-CD1 3.41Å; L65-L81 VanDerWaalsContact CD1-CD1 3.41Å; L65-L81 HydrophobicContact CD1-CD2 3.86Å; L65-L81 HydrophobicContact CD1-CG 4.25Å |
| 66 | A | 71.6 | Confident | 78.1 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -74 | -47 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V62 D63 H68 A69 | V62-A66 PolarHBondContact O-N 3.18Å; D63-A66 WeakPolarHBondContact O-CB 3.4Å; D63-A66 PolarHBondContact O-N 3.34Å; A66-H68 PolarHBondContact O-N 3.21Å; A66-A69 PolarHBondContact O-N 2.94Å |
| 67 | D | 72 | Confident | 80.4 | Confident | 130 Ų | 130 | 72.6 Ų | 72.6 | 70% | 0.695 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.1 | -30.5 | 175.7 | -73 | -16.6 | 0 | 0 | 0 | 112.9 | D63 | D63-D67 PolarHBondContact O-N 3.24Å |
| 68 | H | 76.8 | Confident | 82.3 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 35% | 0.347 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 43 | -176.2 | -61.4 | 80.1 | 0 | 0 | 0 | 111.7 | V64 L65 A66 G70 E71 L72 | V64-H68 PolarHBondContact O-N 3Å; V64-H68 PolarHBondContact O-ND1 3.31Å; L65-H68 CarbonylContact O-C 3.47Å; A66-H68 PolarHBondContact O-N 3.21Å; H68-G70 PolarHBondContact O-N 2.94Å; H68-E71 HydrophobicContact CB-CB 4.39Å; H68-E71 PolarHBondContact O-N 3.5Å; H68-L72 HydrophobicContact CB-CD1 3.79Å; H68-L72 HydrophobicContact CB-CG 3.95Å |
| 69 | A | 70.3 | Confident | 84 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 70% | 0.702 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | 106.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L65 A66 | L65-A69 VanDerWaalsContact O-CA 3.23Å; L65-A69 WeakPolarHBondContact O-CA 3.19Å; L65-A69 PolarHBondContact O-N 3.31Å; A66-A69 PolarHBondContact O-N 2.94Å |
| 70 | G | 77.4 | Confident | 85.3 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -8.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | H68 | H68-G70 PolarHBondContact O-N 2.94Š|
| 71 | E | 90.1 | Very high | 86 | Confident | 85 Ų | 85 | 61 Ų | 61 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -32.1 | 172.3 | -74.2 | -156.7 | 173.4 | 0 | 0 | 112.9 | H68 S83 V84 K100 | H68-E71 HydrophobicContact CB-CB 4.39Å; H68-E71 PolarHBondContact O-N 3.5Å; E71-S83 CarbonylContact O-C 3.59Å; E71-S83 WeakPolarHBondContact O-CA 3.43Å; E71-V84 PolarHBondContact O-N 2.63Å; E71-K100 IonicContact OE2-NZ 3.24Å; E71-K100 PolarHBondContact OE2-NZ 3.37Å |
| 72 | L | 94.4 | Very high | 86.9 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 144.9 | -171.6 | -61.9 | -179.5 | 0 | 0 | 0 | 112.6 | V64 L65 H68 L81 C82 V102 | V64-L72 HydrophobicContact CG1-CD1 4.02Å; L65-L72 HydrophobicContact CD1-CB 4.31Å; H68-L72 HydrophobicContact CB-CD1 3.79Å; H68-L72 HydrophobicContact CB-CG 3.95Å; L72-L81 HydrophobicContact CD1-CD1 4.21Å; L72-C82 CarbonylContact C-O 3.58Å; L72-C82 WeakPolarHBondContact CA-O 3.49Å; L72-V102 HydrophobicContact CD1-CG2 4.04Å; L72-V102 HydrophobicContact CD2-CG2 4.09Å |
| 73 | V | 95.4 | Very high | 87.8 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 24% | 0.242 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 149.8 | 175.8 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | L81 C82 V84 Y172 | V73-L81 WeakPolarHBondContact O-CA 3.42Å; V73-C82 WeakPolarHBondContact CG1-O 3.49Å; V73-C82 PolarHBondContact N-O 3.16Å; V73-C82 PolarHBondContact O-N 2.96Å; V73-V84 HydrophobicContact CB-CG2 3.98Å; V73-V84 HydrophobicContact CG1-CG2 4.29Å; V73-Y172 HydrophobicContact CG1-CD1 4.34Å; V73-Y172 HydrophobicContact CG1-CE1 3.77Å; V73-Y172 HydrophobicContact CG1-CE2 4.17Å; V73-Y172 HydrophobicContact CG2-CE2 4.49Å |
| 74 | R | 95.2 | Very high | 88.8 | Confident | 137 Ų | 137 | 54.2 Ų | 54.2 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 139.6 | 174.9 | -64.3 | 178.8 | -178.7 | -171.5 | -4.5 | 110.6 | V61 L81 | V61-R74 HydrophobicContact CG1-CG 4.11Å; V61-R74 VanDerWaalsContact CG1-NE 3.32Å; R74-L81 HydrophobicContact CB-CD2 4.27Å; R74-L81 HydrophobicContact CG-CD2 3.74Å |
| 75 | T | 97.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 10% | 0.104 | 32% | 0.322 | C | S | . | . | trans | -83.9 | -175.6 | 165 | 65.6 | 0 | 0 | 0 | 0 | 110 | S77 F80 C82 I160 A170 T171 | T75-S77 PolarHBondContact O-N 3.38Å; T75-S77 PolarHBondContact OG1-N 3.25Å; T75-S77 VanDerWaalsContact OG1-N 3.16Å; T75-S77 PolarHBondContact OG1-O 2.77Å; T75-S77 VanDerWaalsContact OG1-O 3.08Å; T75-F80 PolarHBondContact N-O 3.4Å; T75-F80 PolarHBondContact OG1-O 3.23Å; T75-C82 HydrophobicContact CG2-CB 4.5Å; T75-I160 HydrophobicContact CG2-CD1 4.07Å; T75-A170 HydrophobicContact CG2-CB 4.08Å; T75-T171 WeakPolarHBondContact CA-O 3.41Å; T75-T171 WeakPolarHBondContact CB-O 3.38Å | ||
| 76 | D | 96.6 | Very high | 90.6 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -64.3 | -23.8 | 165 | 65.7 | -7.8 | 0 | 0 | 0 | 113 | A170 T171 | D76-A170 WeakPolarHBondContact OD1-CA 3.34Å; D76-T171 VanDerWaalsContact CG-CB 3.5Å; D76-T171 VanDerWaalsContact CG-N 3.34Å; D76-T171 PolarHBondContact N-O 3.29Å; D76-T171 PolarHBondContact OD1-N 2.93Å; D76-T171 WeakPolarHBondContact OD2-CB 3.45Å; D76-T171 PolarHBondContact OD2-OG1 2.82Å |
| 77 | S | 95.4 | Very high | 91.9 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -89.4 | 127.7 | -178 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | T75 N79 F80 | T75-S77 PolarHBondContact O-N 3.38Å; T75-S77 PolarHBondContact OG1-N 3.25Å; T75-S77 VanDerWaalsContact OG1-N 3.16Å; T75-S77 PolarHBondContact OG1-O 2.77Å; T75-S77 VanDerWaalsContact OG1-O 3.08Å; S77-N79 PolarHBondContact O-N 3.28Å; S77-N79 VanDerWaalsContact O-N 3.16Å; S77-F80 PolarHBondContact O-N 2.88Å |
| 78 | P | 93.9 | Very high | 93.1 | Very high | 102 Ų | 102 | 50.4 Ų | 50.4 | 66% | 0.662 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.4 | 179.7 | 28.8 | -35.6 | 0 | 0 | 0 | 112.9 | ||
| 79 | N | 94.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -16.1 | -176.2 | -63.8 | -5.2 | 0 | 0 | 0 | 113.3 | S77 L104 Q168 | S77-N79 PolarHBondContact O-N 3.28Å; S77-N79 VanDerWaalsContact O-N 3.16Å; N79-L104 PolarHBondContact O-N 3.21Å; N79-Q168 PolarHBondContact ND2-OE1 2.95Å |
| 80 | F | 96.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.2 | -168.4 | -62.7 | -73.4 | 0 | 0 | 0 | 114 | T75 S77 V101 V102 A103 V107 V162 Q168 A170 | T75-F80 PolarHBondContact N-O 3.4Å; T75-F80 PolarHBondContact OG1-O 3.23Å; S77-F80 PolarHBondContact O-N 2.88Å; F80-V101 HydrophobicContact CD1-CG1 4.33Å; F80-V102 WeakPolarHBondContact CA-O 3.37Å; F80-A103 HydrophobicContact CD1-CB 4.09Å; F80-A103 HydrophobicContact CE1-CB 3.75Å; F80-V107 HydrophobicContact CE1-CG2 4.19Å; F80-V107 HydrophobicContact CZ-CG2 4.29Å; F80-V162 HydrophobicContact CD1-CG2 4.23Å; F80-V162 HydrophobicContact CE1-CB 4.37Å; F80-V162 HydrophobicContact CE1-CG1 4.28Å; F80-V162 HydrophobicContact CE1-CG2 3.75Å; F80-V162 HydrophobicContact CE2-CG2 4.5Å; F80-V162 HydrophobicContact CZ-CB 4.14Å; F80-V162 HydrophobicContact CZ-CG1 4.19Å; F80-V162 HydrophobicContact CZ-CG2 3.91Å; F80-Q168 HydrophobicContact CE2-CB 3.8Å; F80-Q168 HydrophobicContact CE2-CG 4.41Å; F80-Q168 HydrophobicContact CZ-CB 4.18Å; F80-A170 HydrophobicContact CB-CB 4Å; F80-A170 HydrophobicContact CD2-CB 4.13Å; F80-A170 HydrophobicContact CG-CB 4.35Å |
| 81 | L | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 157.6 | 168.8 | -54.5 | 174.1 | 0 | 0 | 0 | 109.4 | V61 V64 L65 L72 V73 R74 V101 V102 L104 | V61-L81 HydrophobicContact CG1-CD2 3.96Å; V64-L81 HydrophobicContact CB-CD1 4.24Å; V64-L81 HydrophobicContact CG1-CD1 3.75Å; L65-L81 HydrophobicContact CD1-CD1 3.41Å; L65-L81 VanDerWaalsContact CD1-CD1 3.41Å; L65-L81 HydrophobicContact CD1-CD2 3.86Å; L65-L81 HydrophobicContact CD1-CG 4.25Å; L72-L81 HydrophobicContact CD1-CD1 4.21Å; V73-L81 WeakPolarHBondContact O-CA 3.42Å; R74-L81 HydrophobicContact CB-CD2 4.27Å; R74-L81 HydrophobicContact CG-CD2 3.74Å; L81-V101 CarbonylContact O-C 3.56Å; L81-V101 WeakPolarHBondContact O-CA 3.45Å; L81-V102 HydrophobicContact CB-CB 4.29Å; L81-V102 PolarHBondContact N-O 2.75Å; L81-V102 PolarHBondContact O-N 3.16Å; L81-L104 HydrophobicContact CD1-CD1 4.28Å; L81-L104 HydrophobicContact CD1-CD2 4.01Å; L81-L104 HydrophobicContact CD1-CG 4.44Å; L81-L104 HydrophobicContact CD2-CD1 4.49Å; L81-L104 HydrophobicContact CG-CD1 4.1Å; L81-L104 HydrophobicContact CG-CD2 4.5Å; L81-L104 HydrophobicContact CG-CG 4.41Å |
| 82 | C | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 167 | 170.8 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | L72 V73 T75 F99 K100 V101 I160 Y172 | L72-C82 CarbonylContact C-O 3.58Å; L72-C82 WeakPolarHBondContact CA-O 3.49Å; V73-C82 WeakPolarHBondContact CG1-O 3.49Å; V73-C82 PolarHBondContact N-O 3.16Å; V73-C82 PolarHBondContact O-N 2.96Å; T75-C82 HydrophobicContact CG2-CB 4.5Å; C82-F99 HydrophobicContact CB-CE2 3.92Å; C82-F99 HydrophobicContact CB-CZ 3.65Å; C82-K100 CarbonylContact C-O 3.58Å; C82-K100 VanDerWaalsContact CA-O 3.22Å; C82-K100 WeakPolarHBondContact CA-O 3.44Å; C82-V101 HydrophobicContact CB-CG2 4.21Å; C82-I160 HydrophobicContact CB-CD1 3.99Å; C82-Y172 VanDerWaalsContact SG-CD1 3.52Å |
| 83 | S | 97.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.028 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 138.5 | 176.8 | -63.7 | 0 | 0 | 0 | 0 | 112 | E71 L85 F99 K100 | E71-S83 CarbonylContact O-C 3.59Å; E71-S83 WeakPolarHBondContact O-CA 3.43Å; S83-L85 PolarHBondContact O-N 2.89Å; S83-F99 WeakPolarHBondContact O-CE2 3.42Å; S83-K100 PolarHBondContact N-O 2.95Å; S83-K100 WeakPolarHBondContact OG-CB 3.38Å; S83-K100 PolarHBondContact OG-N 2.98Å |
| 84 | V | 97.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 54 Ų | 54 | 42% | 0.424 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 130.7 | 168.2 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | E71 V73 | E71-V84 PolarHBondContact O-N 2.63Å; V73-V84 HydrophobicContact CB-CG2 3.98Å; V73-V84 HydrophobicContact CG1-CG2 4.29Å |
| 85 | L | 98.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 151.3 | 177.1 | -73.8 | 175 | 0 | 0 | 0 | 111.6 | S83 S87 L95 F99 F146 L158 Y172 A175 I176 | S83-L85 PolarHBondContact O-N 2.89Å; L85-S87 PolarHBondContact O-N 2.91Å; L85-L95 HydrophobicContact CD2-CD1 3.65Å; L85-L95 HydrophobicContact CD2-CD2 3.97Å; L85-L95 HydrophobicContact CD2-CG 4.44Å; L85-F99 HydrophobicContact CD1-CD2 4.28Å; L85-F99 HydrophobicContact CD1-CE2 4.06Å; L85-F99 HydrophobicContact CD2-CD2 3.77Å; L85-F99 HydrophobicContact CD2-CE2 4.33Å; L85-F99 HydrophobicContact CG-CD2 4.02Å; L85-F99 HydrophobicContact CG-CE2 4.08Å; L85-F146 HydrophobicContact CD1-CE2 4.39Å; L85-F146 HydrophobicContact CD1-CZ 4.04Å; L85-L158 HydrophobicContact CD1-CD1 3.51Å; L85-Y172 HydrophobicContact CD1-CE1 4.45Å; L85-Y172 HydrophobicContact CG-CE1 4.49Å; L85-A175 HydrophobicContact CD1-CB 4.31Å; L85-I176 HydrophobicContact CB-CB 4.4Å; L85-I176 HydrophobicContact CB-CD1 4.36Å; L85-I176 HydrophobicContact CD1-CB 4.42Å; L85-I176 HydrophobicContact CD1-CG2 4.22Å |
| 86 | P | 97.9 | Very high | 97.4 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 127.5 | 170.1 | -21.8 | 33.1 | 0 | 0 | 0 | 110.6 | H88 W89 P96 I176 | P86-H88 PolarHBondContact O-N 2.97Å; P86-W89 HydrophobicContact CB-CD2 4.43Å; P86-W89 HydrophobicContact CB-CE3 3.8Å; P86-W89 HydrophobicContact CB-CZ3 4.44Å; P86-W89 HydrophobicContact CG-CD2 4.28Å; P86-W89 HydrophobicContact CG-CE3 3.87Å; P86-W89 HydrophobicContact CG-CZ3 4.3Å; P86-P96 HydrophobicContact CG-CG 3.65Å; P86-I176 VanDerWaalsContact O-CG1 3.3Å; P86-I176 WeakPolarHBondContact O-CG1 3.41Å |
| 87 | S | 97.9 | Very high | 97.3 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 69% | 0.692 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -58.5 | -22.9 | -179.4 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | L85 K177 | L85-S87 PolarHBondContact O-N 2.91Å; S87-K177 WeakPolarHBondContact O-CB 3.46Å; S87-K177 PolarHBondContact O-N 2.93Å |
| 88 | H | 98.6 | Very high | 97.4 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 129.6 | 172.2 | -173.8 | -179.7 | 0 | 0 | 0 | 109 | P86 K177 T179 G182 P183 | P86-H88 PolarHBondContact O-N 2.97Å; H88-K177 CarbonylContact C-O 3.46Å; H88-K177 VanDerWaalsContact CA-O 3.31Å; H88-K177 WeakPolarHBondContact CA-O 3.42Å; H88-K177 VanDerWaalsContact CD2-CE 3.42Å; H88-K177 WeakPolarHBondContact CD2-CE 3.18Å; H88-K177 PolarHBondContact CD2-O 2.94Å; H88-K177 WeakPolarHBondContact ND1-CE 3.46Å; H88-K177 PolarHBondContact ND1-NZ 3.03Å; H88-T179 PolarHBondContact NE2-OG1 2.89Å; H88-G182 VanDerWaalsContact CE1-C 3.42Å; H88-G182 PolarHBondContact CE1-O 2.89Å; H88-G182 PolarHBondContact NE2-O 2.83Å; H88-P183 HydrophobicContact CB-CG 4.19Å; H88-P183 VanDerWaalsContact O-CD 3.32Å; H88-P183 WeakPolarHBondContact O-CD 3.42Å; H88-P183 WeakPolarHBondContact O-CG 3.5Å |
| 89 | W | 98.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 166.1 | 175.8 | -155.4 | -119 | 0 | 0 | 0 | 114 | P86 K93 T94 L95 P96 I176 K177 T179 G182 | P86-W89 HydrophobicContact CB-CD2 4.43Å; P86-W89 HydrophobicContact CB-CE3 3.8Å; P86-W89 HydrophobicContact CB-CZ3 4.44Å; P86-W89 HydrophobicContact CG-CD2 4.28Å; P86-W89 HydrophobicContact CG-CE3 3.87Å; P86-W89 HydrophobicContact CG-CZ3 4.3Å; W89-K93 HydrophobicContact CH2-CD 4.5Å; W89-K93 HydrophobicContact CZ2-CD 3.77Å; W89-K93 VanDerWaalsContact CZ2-CE 3.49Å; W89-K93 HydrophobicContact CZ2-CG 4.11Å; W89-K93 PolarHBondContact NE1-O 3.39Å; W89-T94 WeakPolarHBondContact CZ2-O 3.43Å; W89-T94 PolarHBondContact NE1-O 3.36Å; W89-L95 HydrophobicContact CG-CD2 4.34Å; W89-P96 HydrophobicContact CH2-CB 4.2Å; W89-P96 HydrophobicContact CH2-CG 4.08Å; W89-P96 HydrophobicContact CZ3-CG 4.31Å; W89-I176 HydrophobicContact CB-CD1 3.76Å; W89-I176 HydrophobicContact CB-CG1 4.29Å; W89-K177 PolarHBondContact N-O 2.82Å; W89-T179 PolarHBondContact O-N 2.72Å; W89-T179 VanDerWaalsContact O-N 3.12Å; W89-G182 VanDerWaalsContact C-CA 3.47Å; W89-G182 WeakPolarHBondContact O-CA 3.4Å |
| 90 | R | 98.6 | Very high | 97.7 | Very high | 129 Ų | 129 | 45.6 Ų | 45.6 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.4 | 177.4 | -170.9 | 172.8 | -174.2 | -163.5 | -8.5 | 110.7 | K93 T179 V180 D181 | R90-K93 HydrophobicContact CB-CB 3.98Å; R90-K93 HydrophobicContact CB-CD 4.08Å; R90-K93 HydrophobicContact CG-CB 4.42Å; R90-K93 PolarHBondContact O-N 2.9Å; R90-T179 CarbonylContact C-O 3.56Å; R90-T179 WeakPolarHBondContact CA-O 3.42Å; R90-V180 VanDerWaalsContact CG-O 3.3Å; R90-V180 WeakPolarHBondContact CG-O 3.42Å; R90-V180 PolarHBondContact NE-O 3.43Å; R90-D181 WeakPolarHBondContact CD-O 3.38Å; R90-D181 WeakPolarHBondContact CG-O 3.37Å |
| 91 | C | 98.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 21% | 0.209 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 143.1 | 176.8 | 62.3 | 0 | 0 | 0 | 0 | 112.2 | K93 F146 V147 V178 T179 | C91-K93 PolarHBondContact O-N 3.45Å; C91-F146 CarbonylContact C-O 3.53Å; C91-F146 WeakPolarHBondContact CA-O 3.38Å; C91-V147 WeakPolarHBondContact CB-O 3.49Å; C91-V178 HydrophobicContact CB-CG1 3.8Å; C91-T179 PolarHBondContact N-O 3.15Å |
| 92 | N | 98.5 | Very high | 97.8 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 12.8 | -177.2 | -156.9 | 11.1 | 0 | 0 | 0 | 115.5 | R128 R145 F146 V147 | N92-R128 WeakPolarHBondContact OD1-CD 3.38Å; N92-R128 PolarHBondContact OD1-NH1 3.3Å; N92-R145 VanDerWaalsContact O-CD 3.28Å; N92-R145 WeakPolarHBondContact O-CD 3.28Å; N92-R145 PolarHBondContact O-NH1 3.43Å; N92-F146 PolarHBondContact N-O 2.92Å; N92-V147 HydrophobicContact CB-CG2 4.29Å |
| 93 | K | 98.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 45.8 Ų | 45.8 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | trans | -93.2 | 129.6 | 170.5 | -174.8 | -179 | 167.9 | 63.7 | 0 | 109.9 | W89 R90 C91 L95 | W89-K93 HydrophobicContact CH2-CD 4.5Å; W89-K93 HydrophobicContact CZ2-CD 3.77Å; W89-K93 VanDerWaalsContact CZ2-CE 3.49Å; W89-K93 HydrophobicContact CZ2-CG 4.11Å; W89-K93 PolarHBondContact NE1-O 3.39Å; R90-K93 HydrophobicContact CB-CB 3.98Å; R90-K93 HydrophobicContact CB-CD 4.08Å; R90-K93 HydrophobicContact CG-CB 4.42Å; R90-K93 PolarHBondContact O-N 2.9Å; C91-K93 PolarHBondContact O-N 3.45Å; K93-L95 PolarHBondContact O-N 3.35Å | ||
| 94 | T | 98.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | trans | -43.2 | 134.5 | 167.1 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | W89 D143 R145 | W89-T94 WeakPolarHBondContact CZ2-O 3.43Å; W89-T94 PolarHBondContact NE1-O 3.36Å; T94-D143 WeakPolarHBondContact CA-OD1 3.38Å; T94-D143 WeakPolarHBondContact CB-OD1 3.49Å; T94-D143 WeakPolarHBondContact CG2-OD1 3.48Å; T94-D143 PolarHBondContact OG1-OD1 2.82Å; T94-R145 VanDerWaalsContact OG1-CZ 3.23Å; T94-R145 PolarHBondContact OG1-NE 2.65Å; T94-R145 PolarHBondContact OG1-NH2 3.1Å; T94-R145 VanDerWaalsContact OG1-NH2 3.17Å | ||
| 95 | L | 98.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | trans | -65 | 152.3 | 175.1 | -68.9 | 169 | 0 | 0 | 0 | 111.2 | L85 W89 K93 V97 F99 L144 F146 I176 | L85-L95 HydrophobicContact CD2-CD1 3.65Å; L85-L95 HydrophobicContact CD2-CD2 3.97Å; L85-L95 HydrophobicContact CD2-CG 4.44Å; W89-L95 HydrophobicContact CG-CD2 4.34Å; K93-L95 PolarHBondContact O-N 3.35Å; L95-V97 VanDerWaalsContact CB-O 3.31Å; L95-V97 WeakPolarHBondContact CB-O 3.26Å; L95-V97 PolarHBondContact O-N 2.83Å; L95-F99 HydrophobicContact CD1-CB 4.21Å; L95-L144 HydrophobicContact CD1-CB 4.26Å; L95-L144 HydrophobicContact CD1-CD2 4.34Å; L95-L144 HydrophobicContact CD1-CG 4.41Å; L95-F146 HydrophobicContact CD1-CE2 4.29Å; L95-F146 HydrophobicContact CD2-CD2 4.47Å; L95-F146 HydrophobicContact CD2-CE2 4.23Å; L95-I176 HydrophobicContact CD2-CD1 4.24Å | ||
| 96 | P | 96.8 | Very high | 97 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -69.3 | -24.3 | -179.9 | 29.6 | -34.1 | 0 | 0 | 0 | 112.7 | P86 W89 | P86-P96 HydrophobicContact CG-CG 3.65Å; W89-P96 HydrophobicContact CH2-CB 4.2Å; W89-P96 HydrophobicContact CH2-CG 4.08Å; W89-P96 HydrophobicContact CZ3-CG 4.31Å |
| 97 | V | 95.5 | Very high | 97 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 47% | 0.467 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -127.9 | 141 | 174.2 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | L95 F99 | L95-V97 VanDerWaalsContact CB-O 3.31Å; L95-V97 WeakPolarHBondContact CB-O 3.26Å; L95-V97 PolarHBondContact O-N 2.83Å; V97-F99 PolarHBondContact O-N 2.84Å |
| 98 | A | 96 | Very high | 97 | Very high | 35 Ų | 35 | 46 Ų | 46 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | trans | -68.1 | 122.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K100 | A98-K100 PolarHBondContact O-N 3.3Š| ||
| 99 | F | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | trans | -63.9 | 130.4 | -179.2 | -173.2 | -105.9 | 0 | 0 | 0 | 111.2 | C82 S83 L85 L95 V97 V101 V115 F141 L144 L158 I160 | C82-F99 HydrophobicContact CB-CE2 3.92Å; C82-F99 HydrophobicContact CB-CZ 3.65Å; S83-F99 WeakPolarHBondContact O-CE2 3.42Å; L85-F99 HydrophobicContact CD1-CD2 4.28Å; L85-F99 HydrophobicContact CD1-CE2 4.06Å; L85-F99 HydrophobicContact CD2-CD2 3.77Å; L85-F99 HydrophobicContact CD2-CE2 4.33Å; L85-F99 HydrophobicContact CG-CD2 4.02Å; L85-F99 HydrophobicContact CG-CE2 4.08Å; L95-F99 HydrophobicContact CD1-CB 4.21Å; V97-F99 PolarHBondContact O-N 2.84Å; F99-V101 HydrophobicContact CE1-CG2 3.73Å; F99-V101 HydrophobicContact CZ-CG2 4.24Å; F99-V115 HydrophobicContact CD1-CG2 4.43Å; F99-V115 HydrophobicContact CE1-CG2 3.81Å; F99-F141 HydrophobicContact CB-CB 4.44Å; F99-F141 AromaticContact CD1-CD2 3.62Å; F99-F141 HydrophobicContact CD1-CD2 3.62Å; F99-F141 HydrophobicContact CD1-CE2 4Å; F99-F141 HydrophobicContact CD1-CG 4.08Å; F99-F141 HydrophobicContact CE1-CD2 4.28Å; F99-F141 HydrophobicContact CE1-CE2 4.2Å; F99-F141 WeakPolarHBondContact O-CB 3.5Å; F99-F141 PolarHBondContact O-N 3.01Å; F99-L144 HydrophobicContact CB-CB 4.42Å; F99-L144 HydrophobicContact CB-CD2 3.79Å; F99-L144 HydrophobicContact CD1-CD2 3.63Å; F99-L144 HydrophobicContact CE1-CD2 4.35Å; F99-L144 HydrophobicContact CG-CD2 3.77Å; F99-L158 HydrophobicContact CZ-CD1 4.39Å; F99-I160 HydrophobicContact CZ-CD1 4.32Å | ||
| 100 | K | 97.8 | Very high | 96.9 | Very high | 46 Ų | 46 | 49 Ų | 49 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 148.5 | 176.1 | -50.7 | 166.9 | -168.2 | 168.5 | 0 | 108.8 | E71 C82 S83 A98 V138 A139 | E71-K100 IonicContact OE2-NZ 3.24Å; E71-K100 PolarHBondContact OE2-NZ 3.37Å; C82-K100 CarbonylContact C-O 3.58Å; C82-K100 VanDerWaalsContact CA-O 3.22Å; C82-K100 WeakPolarHBondContact CA-O 3.44Å; S83-K100 PolarHBondContact N-O 2.95Å; S83-K100 WeakPolarHBondContact OG-CB 3.38Å; S83-K100 PolarHBondContact OG-N 2.98Å; A98-K100 PolarHBondContact O-N 3.3Å; K100-V138 HydrophobicContact CB-CG1 4.16Å; K100-V138 HydrophobicContact CG-CG1 4.49Å; K100-A139 CarbonylContact C-O 3.22Å; K100-A139 WeakPolarHBondContact CA-O 3.39Å |
| 101 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.9 | 159.8 | 174.6 | 0 | 0 | 0 | 0 | 107.2 | F80 L81 C82 F99 V138 A139 F141 I160 | F80-V101 HydrophobicContact CD1-CG1 4.33Å; L81-V101 CarbonylContact O-C 3.56Å; L81-V101 WeakPolarHBondContact O-CA 3.45Å; C82-V101 HydrophobicContact CB-CG2 4.21Å; F99-V101 HydrophobicContact CE1-CG2 3.73Å; F99-V101 HydrophobicContact CZ-CG2 4.24Å; V101-V138 CarbonylContact O-C 3.58Å; V101-V138 WeakPolarHBondContact O-CA 3.22Å; V101-A139 HydrophobicContact CB-CB 4.41Å; V101-A139 PolarHBondContact N-O 2.77Å; V101-A139 PolarHBondContact O-N 3.33Å; V101-F141 HydrophobicContact CB-CE2 4.38Å; V101-F141 HydrophobicContact CG2-CE2 3.79Å; V101-F141 HydrophobicContact CG2-CZ 4.47Å; V101-I160 HydrophobicContact CG1-CG2 4.12Å; V101-I160 HydrophobicContact CG2-CD1 4.17Å; V101-I160 HydrophobicContact CG2-CG2 3.82Å |
| 102 | V | 97.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.9 | -175.3 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | V64 L72 F80 L81 Q137 V138 | V64-V102 HydrophobicContact CG1-CG1 4.37Å; L72-V102 HydrophobicContact CD1-CG2 4.04Å; L72-V102 HydrophobicContact CD2-CG2 4.09Å; F80-V102 WeakPolarHBondContact CA-O 3.37Å; L81-V102 HydrophobicContact CB-CB 4.29Å; L81-V102 PolarHBondContact N-O 2.75Å; L81-V102 PolarHBondContact O-N 3.16Å; V102-Q137 WeakPolarHBondContact CA-O 3.46Å; V102-V138 HydrophobicContact CG1-CG2 4.34Å; V102-V138 HydrophobicContact CG2-CG1 4.31Å; V102-V138 HydrophobicContact CG2-CG2 4.21Å |
| 103 | A | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F80 V107 M134 Q137 | F80-A103 HydrophobicContact CD1-CB 4.09Å; F80-A103 HydrophobicContact CE1-CB 3.75Å; A103-V107 HydrophobicContact CB-CB 4.15Å; A103-V107 HydrophobicContact CB-CG2 3.73Å; A103-M134 HydrophobicContact CB-CE 3.97Å; A103-M134 HydrophobicContact CB-SD 4.45Å; A103-Q137 HydrophobicContact CB-CB 4.5Å; A103-Q137 PolarHBondContact N-O 2.97Å; A103-Q137 WeakPolarHBondContact O-CB 3.21Å; A103-Q137 PolarHBondContact O-NE2 3.08Å |
| 104 | L | 94.1 | Very high | 97 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -95.3 | -37.3 | -177.1 | -64.6 | 176.7 | 0 | 0 | 0 | 113.3 | R59 V61 V64 N79 L81 | R59-L104 HydrophobicContact CB-CD2 4.17Å; R59-L104 PolarHBondContact N-O 2.78Å; V61-L104 HydrophobicContact CB-CD1 4.16Å; V61-L104 HydrophobicContact CG1-CD1 4.04Å; V61-L104 HydrophobicContact CG2-CD1 3.85Å; V64-L104 HydrophobicContact CB-CD2 4.04Å; V64-L104 HydrophobicContact CG1-CD2 4.21Å; V64-L104 HydrophobicContact CG2-CD2 3.72Å; N79-L104 PolarHBondContact O-N 3.21Å; L81-L104 HydrophobicContact CD1-CD1 4.28Å; L81-L104 HydrophobicContact CD1-CD2 4.01Å; L81-L104 HydrophobicContact CD1-CG 4.44Å; L81-L104 HydrophobicContact CD2-CD1 4.49Å; L81-L104 HydrophobicContact CG-CD1 4.1Å; L81-L104 HydrophobicContact CG-CD2 4.5Å; L81-L104 HydrophobicContact CG-CG 4.41Å |
| 105 | G | 91.3 | Very high | 97 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 26% | 0.258 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -94.1 | 157.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V107 Q137 | G105-V107 PolarHBondContact O-N 2.93Å; G105-Q137 PolarHBondContact O-NE2 3.23Å |
| 106 | D | 93.1 | Very high | 97 | Very high | 89 Ų | 89 | 39.6 Ų | 39.6 | 48% | 0.476 | 25% | 0.246 | S | C | . | . | trans | -57.8 | 128.7 | -171 | -75.3 | -65 | 0 | 0 | 0 | 114.3 | R55 | R55-D106 IonicContact CZ-OD1 3.6Å; R55-D106 VanDerWaalsContact CZ-OD1 3.24Å; R55-D106 IonicContact NH1-OD1 3.77Å; R55-D106 PolarHBondContact NH1-OD1 3.14Å; R55-D106 IonicContact NH1-OD2 2.72Å; R55-D106 PolarHBondContact NH1-OD2 3.38Å; R55-D106 IonicContact NH2-OD1 2.77Å; R55-D106 PolarHBondContact NH2-OD1 2.71Å | ||
| 107 | V | 97.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | trans | -130.1 | 121.1 | 171.6 | 176 | 0 | 0 | 0 | 0 | 107.5 | F80 A103 G105 T111 M134 Q137 V162 T164 | F80-V107 HydrophobicContact CE1-CG2 4.19Å; F80-V107 HydrophobicContact CZ-CG2 4.29Å; A103-V107 HydrophobicContact CB-CB 4.15Å; A103-V107 HydrophobicContact CB-CG2 3.73Å; G105-V107 PolarHBondContact O-N 2.93Å; V107-T111 HydrophobicContact CG1-CG2 3.83Å; V107-M134 HydrophobicContact CB-CE 4.27Å; V107-M134 HydrophobicContact CB-CG 4.26Å; V107-M134 HydrophobicContact CG1-CB 4.41Å; V107-M134 HydrophobicContact CG1-CE 3.98Å; V107-M134 HydrophobicContact CG1-CG 3.91Å; V107-Q137 PolarHBondContact O-OE1 2.91Å; V107-V162 HydrophobicContact CG1-CG1 3.97Å; V107-T164 HydrophobicContact CG1-CG2 3.91Å; V107-T164 HydrophobicContact CG2-CG2 4.37Å | ||
| 108 | P | 97.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 32.6 Ų | 32.6 | 58% | 0.584 | 21% | 0.205 | S | C | * | . | trans | -64.6 | 139.4 | -170.9 | 22.7 | -30.6 | 0 | 0 | 0 | 112.4 | T111 | P108-T111 VanDerWaalsContact O-CB 3.26Å; P108-T111 WeakPolarHBondContact O-CB 3.29Å; P108-T111 PolarHBondContact O-N 3.08Å; P108-T111 VanDerWaalsContact O-N 3.1Å; P108-T111 PolarHBondContact O-OG1 3.35Å | ||
| 109 | D | 97.8 | Very high | 97.4 | Very high | 86 Ų | 86 | 32.1 Ų | 32.1 | 46% | 0.46 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.7 | 173.1 | -85.4 | 27.2 | 0 | 0 | 0 | 110.9 | M134 K135 N136 | D109-M134 WeakPolarHBondContact CA-O 3.3Å; D109-K135 WeakPolarHBondContact OD1-CA 3.28Å; D109-K135 WeakPolarHBondContact OD2-CG 3.31Å; D109-N136 PolarHBondContact OD1-N 2.78Å; D109-N136 PolarHBondContact OD2-N 2.87Å |
| 110 | G | 98.2 | Very high | 97.3 | Very high | 55 Ų | 55 | 38.7 Ų | 38.7 | 57% | 0.567 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -14.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L112 V133 M134 | G110-L112 PolarHBondContact O-N 2.69Å; G110-V133 VanDerWaalsContact CA-CG1 3.49Å; G110-M134 PolarHBondContact N-O 3.03Å |
| 111 | T | 98.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | trans | -58.2 | 126.8 | 175 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | V107 P108 M134 V162 T164 | V107-T111 HydrophobicContact CG1-CG2 3.83Å; P108-T111 VanDerWaalsContact O-CB 3.26Å; P108-T111 WeakPolarHBondContact O-CB 3.29Å; P108-T111 PolarHBondContact O-N 3.08Å; P108-T111 VanDerWaalsContact O-N 3.1Å; P108-T111 PolarHBondContact O-OG1 3.35Å; T111-M134 WeakPolarHBondContact O-CB 3.11Å; T111-M134 PolarHBondContact O-N 3.16Å; T111-V162 HydrophobicContact CG2-CG1 3.85Å; T111-T164 HydrophobicContact CG2-CG2 4.25Å | ||
| 112 | L | 98.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 44 Ų | 44 | 40% | 0.398 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 141.1 | 174.8 | -175.6 | 68.9 | 0 | 0 | 0 | 110.3 | G110 T114 F163 | G110-L112 PolarHBondContact O-N 2.69Å; L112-T114 HydrophobicContact CD2-CG2 4.29Å; L112-T114 HydrophobicContact CG-CG2 4.32Å; L112-F163 HydrophobicContact CB-CB 4.23Å; L112-F163 HydrophobicContact CB-CD2 4.14Å; L112-F163 HydrophobicContact CB-CG 4.4Å; L112-F163 HydrophobicContact CD2-CD2 4.14Å; L112-F163 HydrophobicContact CD2-CE2 4.31Å; L112-F163 HydrophobicContact CG-CD2 4.12Å; L112-F163 WeakPolarHBondContact O-CD2 3.42Å; L112-F163 PolarHBondContact O-N 2.94Å |
| 113 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 134.5 | 167.9 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | S131 A132 M134 A139 F141 I160 T161 V162 | V113-S131 CarbonylContact O-C 3.58Å; V113-S131 WeakPolarHBondContact O-CA 3.32Å; V113-A132 PolarHBondContact N-O 2.7Å; V113-A132 PolarHBondContact O-N 3.03Å; V113-M134 HydrophobicContact CG2-CE 3.94Å; V113-A139 HydrophobicContact CB-CB 3.94Å; V113-A139 HydrophobicContact CG2-CB 3.56Å; V113-F141 HydrophobicContact CB-CZ 4.25Å; V113-F141 HydrophobicContact CG1-CE2 4.46Å; V113-F141 HydrophobicContact CG1-CZ 3.97Å; V113-I160 HydrophobicContact CG1-CG2 3.79Å; V113-T161 CarbonylContact C-O 3.51Å; V113-T161 VanDerWaalsContact CA-O 3.29Å; V113-T161 WeakPolarHBondContact CA-O 3.5Å; V113-V162 HydrophobicContact CG1-CG2 3.95Å; V113-V162 HydrophobicContact CG2-CG1 4.28Å; V113-V162 HydrophobicContact CG2-CG2 4.08Å |
| 114 | T | 98.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 20% | 0.202 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 160.2 | 172.1 | 65 | 0 | 0 | 0 | 0 | 112 | L112 A130 I160 T161 F163 | L112-T114 HydrophobicContact CD2-CG2 4.29Å; L112-T114 HydrophobicContact CG-CG2 4.32Å; T114-A130 CarbonylContact C-O 3.46Å; T114-A130 VanDerWaalsContact CA-O 3.28Å; T114-A130 WeakPolarHBondContact CA-O 3.4Å; T114-I160 WeakPolarHBondContact O-CA 3.42Å; T114-T161 PolarHBondContact N-O 2.94Å; T114-T161 PolarHBondContact O-N 2.63Å; T114-F163 HydrophobicContact CG2-CE2 3.85Å; T114-F163 HydrophobicContact CG2-CZ 4.49Å; T114-F163 WeakPolarHBondContact OG1-CE2 3.32Å |
| 115 | V | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.3 | 172.3 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | F99 L127 A130 F141 L158 T159 I160 | F99-V115 HydrophobicContact CD1-CG2 4.43Å; F99-V115 HydrophobicContact CE1-CG2 3.81Å; V115-L127 HydrophobicContact CB-CD1 4.48Å; V115-L127 HydrophobicContact CG1-CD1 4.12Å; V115-L127 WeakPolarHBondContact O-CD1 3.17Å; V115-A130 PolarHBondContact N-O 3.11Å; V115-F141 HydrophobicContact CB-CE1 4.49Å; V115-F141 HydrophobicContact CG2-CD1 4.46Å; V115-F141 HydrophobicContact CG2-CE1 3.68Å; V115-F141 HydrophobicContact CG2-CE2 4.32Å; V115-F141 HydrophobicContact CG2-CZ 3.61Å; V115-L158 HydrophobicContact CG1-CB 4.29Å; V115-L158 HydrophobicContact CG1-CD1 4.27Å; V115-L158 HydrophobicContact CG1-CD2 4.46Å; V115-T159 WeakPolarHBondContact CA-O 3.17Å; V115-I160 HydrophobicContact CG2-CG1 4.4Å |
| 116 | M | 98.7 | Very high | 97.9 | Very high | 87 Ų | 87 | 62 Ų | 62 | 43% | 0.429 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 155.3 | 162.3 | -61.4 | -178.2 | -68.2 | 0 | 0 | 108.8 | L158 T159 | M116-L158 CarbonylContact O-C 3.6Å; M116-L158 VanDerWaalsContact O-CA 3.28Å; M116-L158 WeakPolarHBondContact O-CA 3.18Å; M116-T159 HydrophobicContact CE-CG2 4.06Å; M116-T159 PolarHBondContact N-O 3.39Å; M116-T159 PolarHBondContact O-N 2.91Å |
| 117 | A | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | A125 L127 F146 F156 T157 L158 | A117-A125 HydrophobicContact CB-CB 4.38Å; A117-A125 WeakPolarHBondContact O-CB 3.49Å; A117-A125 PolarHBondContact O-N 3.49Å; A117-L127 HydrophobicContact CB-CD1 4.08Å; A117-L127 HydrophobicContact CB-CD2 3.97Å; A117-L127 HydrophobicContact CB-CG 4.36Å; A117-F146 HydrophobicContact CB-CD1 4.23Å; A117-F146 HydrophobicContact CB-CE1 4.01Å; A117-F156 HydrophobicContact CB-CB 4.17Å; A117-F156 HydrophobicContact CB-CD1 4.47Å; A117-F156 HydrophobicContact CB-CD2 4.13Å; A117-F156 HydrophobicContact CB-CG 4.04Å; A117-T157 WeakPolarHBondContact CA-O 3.31Å; A117-L158 HydrophobicContact CB-CD2 3.56Å |
| 118 | G | 98.6 | Very high | 98.3 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 157.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N122 Y123 T157 | G118-N122 WeakPolarHBondContact CA-O 3.35Å; G118-Y123 WeakPolarHBondContact CA-O 3.06Å; G118-T157 PolarHBondContact N-O 2.95Å; G118-T157 PolarHBondContact O-N 2.82Å |
| 119 | N | 98.5 | Very high | 98.3 | Very high | 25 Ų | 25 | 62.5 Ų | 62.5 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -161.1 | -178.7 | 164.1 | 68 | 18.6 | 0 | 0 | 0 | 110.3 | E121 N122 Y123 S150 S155 | N119-E121 PolarHBondContact O-N 3.23Å; N119-E121 VanDerWaalsContact O-N 3.14Å; N119-E121 WeakPolarHBondContact OD1-CB 3.33Å; N119-E121 PolarHBondContact OD1-N 2.84Å; N119-N122 PolarHBondContact N-O 3.17Å; N119-N122 CarbonylContact O-C 3.58Å; N119-N122 PolarHBondContact O-N 3.36Å; N119-N122 VanDerWaalsContact O-O 3.11Å; N119-N122 PolarHBondContact OD1-N 3.32Å; N119-Y123 WeakPolarHBondContact O-CA 3.36Å; N119-Y123 PolarHBondContact O-N 3.41Å; N119-S150 PolarHBondContact ND2-O 3Å; N119-S155 PolarHBondContact ND2-O 3.4Å |
| 120 | D | 97.7 | Very high | 98.3 | Very high | 139 Ų | 139 | 59.5 Ų | 59.5 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.8 | -178.8 | 17.8 | -72.9 | 0 | 0 | 0 | 116 | K154 | D120-K154 WeakPolarHBondContact OD2-CE 3.45Å; D120-K154 IonicContact OD2-NZ 2.69Å; D120-K154 PolarHBondContact OD2-NZ 3.2Å |
| 121 | E | 97.1 | Very high | 98.4 | Very high | 114 Ų | 114 | 60.2 Ų | 60.2 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -26.9 | 171.9 | -53.6 | -90.4 | 123.8 | 0 | 0 | 112.2 | N119 K154 | N119-E121 PolarHBondContact O-N 3.23Å; N119-E121 VanDerWaalsContact O-N 3.14Å; N119-E121 WeakPolarHBondContact OD1-CB 3.33Å; N119-E121 PolarHBondContact OD1-N 2.84Å; E121-K154 HydrophobicContact CG-CD 3.34Å; E121-K154 WeakPolarHBondContact OE1-CE 3.42Å; E121-K154 IonicContact OE1-NZ 2.68Å; E121-K154 PolarHBondContact OE1-NZ 3.09Å |
| 122 | N | 97.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 24% | 0.235 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -157 | 87.5 | -165.9 | -174.2 | -2.2 | 0 | 0 | 0 | 108 | G118 N119 S124 A125 R149 F156 | G118-N122 WeakPolarHBondContact CA-O 3.35Å; N119-N122 PolarHBondContact N-O 3.17Å; N119-N122 CarbonylContact O-C 3.58Å; N119-N122 PolarHBondContact O-N 3.36Å; N119-N122 VanDerWaalsContact O-O 3.11Å; N119-N122 PolarHBondContact OD1-N 3.32Å; N122-S124 VanDerWaalsContact C-N 3.3Å; N122-S124 PolarHBondContact O-N 2.86Å; N122-S124 PolarHBondContact OD1-O 2.68Å; N122-A125 WeakPolarHBondContact OD1-CA 3.46Å; N122-R149 PolarHBondContact ND2-O 2.97Å; N122-F156 HydrophobicContact CB-CE1 4.18Å |
| 123 | Y | 97.8 | Very high | 98.4 | Very high | 219 Ų | 219 | 60.3 Ų | 60.3 | 86% | 0.859 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -57.7 | -38.8 | -169.5 | 175.2 | -101.8 | 0 | 0 | 0 | 113.5 | G118 N119 | G118-Y123 WeakPolarHBondContact CA-O 3.06Å; N119-Y123 WeakPolarHBondContact O-CA 3.36Å; N119-Y123 PolarHBondContact O-N 3.41Å |
| 124 | S | 98 | Very high | 98.3 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -142.2 | 104.1 | 172.8 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | N122 | N122-S124 VanDerWaalsContact C-N 3.3Å; N122-S124 PolarHBondContact O-N 2.86Å; N122-S124 PolarHBondContact OD1-O 2.68Å |
| 125 | A | 98.3 | Very high | 98.3 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | trans | -82.2 | 141 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A117 N122 L127 F156 | A117-A125 HydrophobicContact CB-CB 4.38Å; A117-A125 WeakPolarHBondContact O-CB 3.49Å; A117-A125 PolarHBondContact O-N 3.49Å; N122-A125 WeakPolarHBondContact OD1-CA 3.46Å; A125-L127 PolarHBondContact O-N 2.82Å; A125-F156 HydrophobicContact CB-CD1 4.39Å; A125-F156 HydrophobicContact CB-CE1 3.52Å; A125-F156 HydrophobicContact CB-CE2 3.96Å; A125-F156 HydrophobicContact CB-CZ 3.26Å | ||
| 126 | E | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 70.9 Ų | 70.9 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | trans | -59.3 | 125.6 | 174 | -170.4 | -159.7 | 148.6 | 0 | 0 | 111.2 | V147 G148 | E126-V147 HydrophobicContact CB-CB 4.1Å; E126-V147 HydrophobicContact CG-CB 4.01Å; E126-V147 HydrophobicContact CG-CG1 4.44Å; E126-V147 WeakPolarHBondContact O-CA 3.48Å; E126-V147 PolarHBondContact O-N 2.65Å; E126-V147 WeakPolarHBondContact OE1-CG1 3.28Å; E126-V147 WeakPolarHBondContact OE2-CG1 3.49Å; E126-G148 PolarHBondContact O-N 2.81Å | ||
| 127 | L | 98.8 | Very high | 98 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.7 | 175.4 | -59.4 | -176.9 | 0 | 0 | 0 | 110 | V115 A117 A125 A130 R145 F146 | V115-L127 HydrophobicContact CB-CD1 4.48Å; V115-L127 HydrophobicContact CG1-CD1 4.12Å; V115-L127 WeakPolarHBondContact O-CD1 3.17Å; A117-L127 HydrophobicContact CB-CD1 4.08Å; A117-L127 HydrophobicContact CB-CD2 3.97Å; A117-L127 HydrophobicContact CB-CG 4.36Å; A125-L127 PolarHBondContact O-N 2.82Å; L127-A130 HydrophobicContact CB-CB 3.68Å; L127-A130 HydrophobicContact CD1-CB 4.03Å; L127-R145 CarbonylContact C-O 2.97Å; L127-R145 WeakPolarHBondContact CA-O 3.37Å; L127-F146 HydrophobicContact CD2-CB 4.18Å; L127-F146 HydrophobicContact CD2-CD1 3.28Å; L127-F146 HydrophobicContact CD2-CE1 3.75Å; L127-F146 HydrophobicContact CD2-CG 3.94Å |
| 128 | R | 98.6 | Very high | 98 | Very high | 97 Ų | 97 | 69.4 Ų | 69.4 | 37% | 0.366 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.4 | 169.2 | -67.2 | 175.7 | 65.5 | -145.3 | -4.4 | 109.8 | N92 A130 R145 V147 | N92-R128 WeakPolarHBondContact OD1-CD 3.38Å; N92-R128 PolarHBondContact OD1-NH1 3.3Å; R128-A130 VanDerWaalsContact C-N 3.26Å; R128-A130 PolarHBondContact O-N 3.46Å; R128-R145 HydrophobicContact CB-CB 4.31Å; R128-R145 PolarHBondContact N-O 3.1Å; R128-R145 PolarHBondContact O-N 2.96Å; R128-V147 HydrophobicContact CG-CG2 3.7Å |
| 129 | N | 98.4 | Very high | 97.9 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 54.8 | 43.5 | -178.7 | -49.9 | -11 | 0 | 0 | 0 | 112.1 | S131 N142 D143 | N129-S131 PolarHBondContact O-N 2.88Å; N129-N142 WeakPolarHBondContact CB-O 3.39Å; N129-N142 PolarHBondContact ND2-O 2.99Å; N129-D143 PolarHBondContact ND2-O 3.39Å |
| 130 | A | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 76 Ų | 76 | 20% | 0.198 | 38% | 0.377 | C | S | . | . | trans | -81.7 | 15.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T114 V115 L127 R128 L144 | T114-A130 CarbonylContact C-O 3.46Å; T114-A130 VanDerWaalsContact CA-O 3.28Å; T114-A130 WeakPolarHBondContact CA-O 3.4Å; V115-A130 PolarHBondContact N-O 3.11Å; L127-A130 HydrophobicContact CB-CB 3.68Å; L127-A130 HydrophobicContact CD1-CB 4.03Å; R128-A130 VanDerWaalsContact C-N 3.26Å; R128-A130 PolarHBondContact O-N 3.46Å; A130-L144 HydrophobicContact CB-CD1 4.34Å | ||
| 131 | S | 98.6 | Very high | 98 | Very high | 69 Ų | 69 | 69.4 Ų | 69.4 | 48% | 0.483 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.2 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | V113 N129 | V113-S131 CarbonylContact O-C 3.58Å; V113-S131 WeakPolarHBondContact O-CA 3.32Å; N129-S131 PolarHBondContact O-N 2.88Å |
| 132 | A | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 70.1 Ų | 70.1 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 165.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V113 A139 F141 | V113-A132 PolarHBondContact N-O 2.7Å; V113-A132 PolarHBondContact O-N 3.03Å; A132-A139 HydrophobicContact CB-CB 4.11Å; A132-F141 HydrophobicContact CB-CB 4.46Å; A132-F141 HydrophobicContact CB-CD1 3.74Å; A132-F141 HydrophobicContact CB-CD2 3.69Å; A132-F141 HydrophobicContact CB-CE1 3.72Å; A132-F141 HydrophobicContact CB-CE2 3.66Å; A132-F141 HydrophobicContact CB-CG 3.72Å; A132-F141 HydrophobicContact CB-CZ 3.67Å |
| 133 | V | 98.5 | Very high | 98 | Very high | 85 Ų | 85 | 70 Ų | 70 | 52% | 0.515 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.4 | 175 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | G110 | G110-V133 VanDerWaalsContact CA-CG1 3.49Å |
| 134 | M | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 130.3 | 173.8 | -168.5 | 66.1 | 77.1 | 0 | 0 | 110.1 | A103 V107 D109 G110 T111 V113 V138 A139 V162 | A103-M134 HydrophobicContact CB-CE 3.97Å; A103-M134 HydrophobicContact CB-SD 4.45Å; V107-M134 HydrophobicContact CB-CE 4.27Å; V107-M134 HydrophobicContact CB-CG 4.26Å; V107-M134 HydrophobicContact CG1-CB 4.41Å; V107-M134 HydrophobicContact CG1-CE 3.98Å; V107-M134 HydrophobicContact CG1-CG 3.91Å; D109-M134 WeakPolarHBondContact CA-O 3.3Å; G110-M134 PolarHBondContact N-O 3.03Å; T111-M134 WeakPolarHBondContact O-CB 3.11Å; T111-M134 PolarHBondContact O-N 3.16Å; V113-M134 HydrophobicContact CG2-CE 3.94Å; M134-V138 VanDerWaalsContact SD-C 3.54Å; M134-V138 PolarHBondContact SD-N 2.93Å; M134-V138 VanDerWaalsContact SD-N 3.4Å; M134-A139 HydrophobicContact CE-CB 4.28Å; M134-A139 HydrophobicContact SD-CB 4.08Å; M134-A139 PolarHBondContact SD-N 3.05Å; M134-A139 VanDerWaalsContact SD-N 3.45Å; M134-V162 HydrophobicContact CE-CG1 4.41Å |
| 135 | K | 97.9 | Very high | 98.1 | Very high | 140 Ų | 140 | 58.8 Ų | 58.8 | 61% | 0.609 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 129.3 | 172.4 | -165.4 | -178.4 | -178.5 | 169.6 | 0 | 111.2 | D109 Q137 V138 | D109-K135 WeakPolarHBondContact OD1-CA 3.28Å; D109-K135 WeakPolarHBondContact OD2-CG 3.31Å; K135-Q137 VanDerWaalsContact C-N 3.25Å; K135-Q137 PolarHBondContact O-N 2.92Å; K135-V138 PolarHBondContact N-O 3.37Å; K135-V138 PolarHBondContact O-N 2.91Å |
| 136 | N | 95.8 | Very high | 98.1 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 63% | 0.631 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 44.2 | -177.1 | -65.1 | -27.4 | 0 | 0 | 0 | 112.9 | D109 V138 | D109-N136 PolarHBondContact OD1-N 2.78Å; D109-N136 PolarHBondContact OD2-N 2.87Å; N136-V138 VanDerWaalsContact C-N 3.27Å; N136-V138 PolarHBondContact O-N 2.83Å |
| 137 | Q | 96.2 | Very high | 98.1 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 11.1 | -172.9 | -55.7 | -70.7 | 107.3 | 0 | 0 | 116.2 | V102 A103 G105 V107 K135 | V102-Q137 WeakPolarHBondContact CA-O 3.46Å; A103-Q137 HydrophobicContact CB-CB 4.5Å; A103-Q137 PolarHBondContact N-O 2.97Å; A103-Q137 WeakPolarHBondContact O-CB 3.21Å; A103-Q137 PolarHBondContact O-NE2 3.08Å; G105-Q137 PolarHBondContact O-NE2 3.23Å; V107-Q137 PolarHBondContact O-OE1 2.91Å; K135-Q137 VanDerWaalsContact C-N 3.25Å; K135-Q137 PolarHBondContact O-N 2.92Å |
| 138 | V | 97 | Very high | 98.1 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 28% | 0.279 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.5 | 178.7 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | K100 V101 V102 M134 K135 N136 | K100-V138 HydrophobicContact CB-CG1 4.16Å; K100-V138 HydrophobicContact CG-CG1 4.49Å; V101-V138 CarbonylContact O-C 3.58Å; V101-V138 WeakPolarHBondContact O-CA 3.22Å; V102-V138 HydrophobicContact CG1-CG2 4.34Å; V102-V138 HydrophobicContact CG2-CG1 4.31Å; V102-V138 HydrophobicContact CG2-CG2 4.21Å; M134-V138 VanDerWaalsContact SD-C 3.54Å; M134-V138 PolarHBondContact SD-N 2.93Å; M134-V138 VanDerWaalsContact SD-N 3.4Å; K135-V138 PolarHBondContact N-O 3.37Å; K135-V138 PolarHBondContact O-N 2.91Å; N136-V138 VanDerWaalsContact C-N 3.27Å; N136-V138 PolarHBondContact O-N 2.83Å |
| 139 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 106.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | K100 V101 V113 A132 M134 F141 | K100-A139 CarbonylContact C-O 3.22Å; K100-A139 WeakPolarHBondContact CA-O 3.39Å; V101-A139 HydrophobicContact CB-CB 4.41Å; V101-A139 PolarHBondContact N-O 2.77Å; V101-A139 PolarHBondContact O-N 3.33Å; V113-A139 HydrophobicContact CB-CB 3.94Å; V113-A139 HydrophobicContact CG2-CB 3.56Å; A132-A139 HydrophobicContact CB-CB 4.11Å; M134-A139 HydrophobicContact CE-CB 4.28Å; M134-A139 HydrophobicContact SD-CB 4.08Å; M134-A139 PolarHBondContact SD-N 3.05Å; M134-A139 VanDerWaalsContact SD-N 3.45Å; A139-F141 HydrophobicContact CB-CE2 4.45Å |
| 140 | R | 98.1 | Very high | 98.1 | Very high | 179 Ų | 179 | 52.6 Ų | 52.6 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.2 | 179.7 | -177.4 | -177.4 | 178.6 | -170.9 | 0.8 | 110.4 | ||
| 141 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -81.5 | 131.9 | 179.1 | -67.5 | -104.5 | 0 | 0 | 0 | 110.5 | F99 V101 V113 V115 A132 A139 D143 L144 | F99-F141 HydrophobicContact CB-CB 4.44Å; F99-F141 AromaticContact CD1-CD2 3.62Å; F99-F141 HydrophobicContact CD1-CD2 3.62Å; F99-F141 HydrophobicContact CD1-CE2 4Å; F99-F141 HydrophobicContact CD1-CG 4.08Å; F99-F141 HydrophobicContact CE1-CD2 4.28Å; F99-F141 HydrophobicContact CE1-CE2 4.2Å; F99-F141 WeakPolarHBondContact O-CB 3.5Å; F99-F141 PolarHBondContact O-N 3.01Å; V101-F141 HydrophobicContact CB-CE2 4.38Å; V101-F141 HydrophobicContact CG2-CE2 3.79Å; V101-F141 HydrophobicContact CG2-CZ 4.47Å; V113-F141 HydrophobicContact CB-CZ 4.25Å; V113-F141 HydrophobicContact CG1-CE2 4.46Å; V113-F141 HydrophobicContact CG1-CZ 3.97Å; V115-F141 HydrophobicContact CB-CE1 4.49Å; V115-F141 HydrophobicContact CG2-CD1 4.46Å; V115-F141 HydrophobicContact CG2-CE1 3.68Å; V115-F141 HydrophobicContact CG2-CE2 4.32Å; V115-F141 HydrophobicContact CG2-CZ 3.61Å; A132-F141 HydrophobicContact CB-CB 4.46Å; A132-F141 HydrophobicContact CB-CD1 3.74Å; A132-F141 HydrophobicContact CB-CD2 3.69Å; A132-F141 HydrophobicContact CB-CE1 3.72Å; A132-F141 HydrophobicContact CB-CE2 3.66Å; A132-F141 HydrophobicContact CB-CG 3.72Å; A132-F141 HydrophobicContact CB-CZ 3.67Å; A139-F141 HydrophobicContact CB-CE2 4.45Å; F141-D143 PolarHBondContact O-N 2.86Å; F141-L144 HydrophobicContact CB-CB 4.02Å | ||
| 142 | N | 97.8 | Very high | 97.9 | Very high | 128 Ų | 128 | 60.6 Ų | 60.6 | 68% | 0.684 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -85.9 | 100.2 | -180 | -171 | -85.7 | 0 | 0 | 0 | 109.7 | N129 L144 | N129-N142 WeakPolarHBondContact CB-O 3.39Å; N129-N142 PolarHBondContact ND2-O 2.99Å; N142-L144 PolarHBondContact O-N 3.4Å |
| 143 | D | 97.7 | Very high | 97.8 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 52.6 | 53.4 | 179 | -177.5 | 37.5 | 0 | 0 | 0 | 113.1 | T94 N129 F141 R145 | T94-D143 WeakPolarHBondContact CA-OD1 3.38Å; T94-D143 WeakPolarHBondContact CB-OD1 3.49Å; T94-D143 WeakPolarHBondContact CG2-OD1 3.48Å; T94-D143 PolarHBondContact OG1-OD1 2.82Å; N129-D143 PolarHBondContact ND2-O 3.39Å; F141-D143 PolarHBondContact O-N 2.86Å; D143-R145 VanDerWaalsContact CG-NE 3.31Å; D143-R145 WeakPolarHBondContact O-CG 3.36Å; D143-R145 PolarHBondContact O-N 2.86Å; D143-R145 IonicContact OD1-CZ 2.67Å; D143-R145 IonicContact OD1-NE 2.74Å; D143-R145 PolarHBondContact OD1-NE 3.27Å; D143-R145 VanDerWaalsContact OD1-NE 3.11Å; D143-R145 IonicContact OD1-NH2 2.75Å; D143-R145 IonicContact OD2-CZ 2.77Å; D143-R145 IonicContact OD2-NE 2.94Å; D143-R145 PolarHBondContact OD2-NE 3.2Å; D143-R145 IonicContact OD2-NH2 2.78Å; D143-R145 PolarHBondContact OD2-NH2 3.31Å |
| 144 | L | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | trans | -55.7 | 126.8 | 170.6 | 176.4 | 66.2 | 0 | 0 | 0 | 109.9 | L95 F99 A130 F141 N142 F146 | L95-L144 HydrophobicContact CD1-CB 4.26Å; L95-L144 HydrophobicContact CD1-CD2 4.34Å; L95-L144 HydrophobicContact CD1-CG 4.41Å; F99-L144 HydrophobicContact CB-CB 4.42Å; F99-L144 HydrophobicContact CB-CD2 3.79Å; F99-L144 HydrophobicContact CD1-CD2 3.63Å; F99-L144 HydrophobicContact CE1-CD2 4.35Å; F99-L144 HydrophobicContact CG-CD2 3.77Å; A130-L144 HydrophobicContact CB-CD1 4.34Å; F141-L144 HydrophobicContact CB-CB 4.02Å; N142-L144 PolarHBondContact O-N 3.4Å; L144-F146 HydrophobicContact CD2-CZ 4.45Å | ||
| 145 | R | 98.8 | Very high | 97.8 | Very high | 55 Ų | 55 | 64.4 Ų | 64.4 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140.8 | 175.6 | -43 | -166.4 | -172.1 | -170.3 | 2.4 | 112.5 | N92 T94 L127 R128 D143 | N92-R145 VanDerWaalsContact O-CD 3.28Å; N92-R145 WeakPolarHBondContact O-CD 3.28Å; N92-R145 PolarHBondContact O-NH1 3.43Å; T94-R145 VanDerWaalsContact OG1-CZ 3.23Å; T94-R145 PolarHBondContact OG1-NE 2.65Å; T94-R145 PolarHBondContact OG1-NH2 3.1Å; T94-R145 VanDerWaalsContact OG1-NH2 3.17Å; L127-R145 CarbonylContact C-O 2.97Å; L127-R145 WeakPolarHBondContact CA-O 3.37Å; R128-R145 HydrophobicContact CB-CB 4.31Å; R128-R145 PolarHBondContact N-O 3.1Å; R128-R145 PolarHBondContact O-N 2.96Å; D143-R145 VanDerWaalsContact CG-NE 3.31Å; D143-R145 WeakPolarHBondContact O-CG 3.36Å; D143-R145 PolarHBondContact O-N 2.86Å; D143-R145 IonicContact OD1-CZ 2.67Å; D143-R145 IonicContact OD1-NE 2.74Å; D143-R145 PolarHBondContact OD1-NE 3.27Å; D143-R145 VanDerWaalsContact OD1-NE 3.11Å; D143-R145 IonicContact OD1-NH2 2.75Å; D143-R145 IonicContact OD2-CZ 2.77Å; D143-R145 IonicContact OD2-NE 2.94Å; D143-R145 PolarHBondContact OD2-NE 3.2Å; D143-R145 IonicContact OD2-NH2 2.78Å; D143-R145 PolarHBondContact OD2-NH2 3.31Å |
| 146 | F | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.7 | 171 | -59.5 | -92.4 | 0 | 0 | 0 | 109.5 | L85 C91 N92 L95 A117 L127 L144 F156 L158 I176 V178 | L85-F146 HydrophobicContact CD1-CE2 4.39Å; L85-F146 HydrophobicContact CD1-CZ 4.04Å; C91-F146 CarbonylContact C-O 3.53Å; C91-F146 WeakPolarHBondContact CA-O 3.38Å; N92-F146 PolarHBondContact N-O 2.92Å; L95-F146 HydrophobicContact CD1-CE2 4.29Å; L95-F146 HydrophobicContact CD2-CD2 4.47Å; L95-F146 HydrophobicContact CD2-CE2 4.23Å; A117-F146 HydrophobicContact CB-CD1 4.23Å; A117-F146 HydrophobicContact CB-CE1 4.01Å; L127-F146 HydrophobicContact CD2-CB 4.18Å; L127-F146 HydrophobicContact CD2-CD1 3.28Å; L127-F146 HydrophobicContact CD2-CE1 3.75Å; L127-F146 HydrophobicContact CD2-CG 3.94Å; L144-F146 HydrophobicContact CD2-CZ 4.45Å; F146-F156 HydrophobicContact CD1-CD2 4.12Å; F146-F156 HydrophobicContact CD1-CE2 4.38Å; F146-L158 HydrophobicContact CE1-CD2 3.66Å; F146-L158 HydrophobicContact CZ-CD1 4.3Å; F146-L158 HydrophobicContact CZ-CD2 4.12Å; F146-I176 HydrophobicContact CD1-CG2 4.32Å; F146-I176 HydrophobicContact CD2-CD1 3.96Å; F146-I176 HydrophobicContact CE1-CG2 3.86Å; F146-I176 HydrophobicContact CE2-CD1 3.81Å; F146-I176 HydrophobicContact CE2-CG2 4.27Å; F146-I176 HydrophobicContact CZ-CD1 4.45Å; F146-I176 HydrophobicContact CZ-CG2 3.84Å; F146-V178 HydrophobicContact CB-CB 4.37Å; F146-V178 HydrophobicContact CB-CG1 3.84Å; F146-V178 HydrophobicContact CB-CG2 3.67Å; F146-V178 HydrophobicContact CD1-CG2 4.2Å; F146-V178 HydrophobicContact CG-CG2 3.88Å |
| 147 | V | 98.6 | Very high | 98 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | trans | -95.8 | -45.2 | 176.2 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | C91 N92 E126 R128 | C91-V147 WeakPolarHBondContact CB-O 3.49Å; N92-V147 HydrophobicContact CB-CG2 4.29Å; E126-V147 HydrophobicContact CB-CB 4.1Å; E126-V147 HydrophobicContact CG-CB 4.01Å; E126-V147 HydrophobicContact CG-CG1 4.44Å; E126-V147 WeakPolarHBondContact O-CA 3.48Å; E126-V147 PolarHBondContact O-N 2.65Å; E126-V147 WeakPolarHBondContact OE1-CG1 3.28Å; E126-V147 WeakPolarHBondContact OE2-CG1 3.49Å; R128-V147 HydrophobicContact CG-CG2 3.7Å | ||
| 148 | G | 98.1 | Very high | 98.1 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -59.6 | 145.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E126 F156 V178 | E126-G148 PolarHBondContact O-N 2.81Å; G148-F156 WeakPolarHBondContact O-CE2 3.38Å; G148-V178 VanDerWaalsContact O-CG1 3.29Å; G148-V178 WeakPolarHBondContact O-CG1 3.4Å |
| 149 | R | 98.5 | Very high | 98.2 | Very high | 146 Ų | 146 | 53.2 Ų | 53.2 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | trans | -93.1 | 147.2 | 176.7 | -67.7 | 167.3 | 57.1 | -174 | -4.4 | 110.3 | N122 F156 V178 | N122-R149 PolarHBondContact ND2-O 2.97Å; R149-F156 WeakPolarHBondContact O-CZ 3.04Å; R149-V178 WeakPolarHBondContact CA-O 3.36Å | ||
| 150 | S | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -95.2 | 7.5 | -175.1 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | N119 K154 K177 V178 | N119-S150 PolarHBondContact ND2-O 3Å; S150-K154 WeakPolarHBondContact CB-O 3.25Å; S150-K154 WeakPolarHBondContact O-CB 3.3Å; S150-K154 PolarHBondContact OG-O 3.19Å; S150-K177 WeakPolarHBondContact OG-CA 3.46Å; S150-V178 PolarHBondContact N-O 2.91Å; S150-V178 VanDerWaalsContact N-O 3.15Å; S150-V178 PolarHBondContact OG-N 3.49Å | ||
| 151 | G | 97.7 | Very high | 98.3 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | trans | 90.1 | 176.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | G153 | G151-G153 PolarHBondContact O-N 2.85Š| ||
| 152 | R | 96.4 | Very high | 98.3 | Very high | 246 Ų | 246 | 45.6 Ų | 45.6 | 93% | 0.928 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -81.8 | 113.4 | 178.6 | -178.9 | 179.8 | 174.7 | 119.7 | -1 | 109.9 | K154 | R152-K154 PolarHBondContact O-N 2.94Š|
| 153 | G | 96.2 | Very high | 98.3 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 70% | 0.701 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 77.2 | -5.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G151 | G151-G153 PolarHBondContact O-N 2.85Š|
| 154 | K | 98.3 | Very high | 98.3 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -94.7 | 144.1 | 177 | -73 | 177.3 | 171.6 | -168.3 | 0 | 111.4 | D120 E121 S150 R152 K177 | D120-K154 WeakPolarHBondContact OD2-CE 3.45Å; D120-K154 IonicContact OD2-NZ 2.69Å; D120-K154 PolarHBondContact OD2-NZ 3.2Å; E121-K154 HydrophobicContact CG-CD 3.34Å; E121-K154 WeakPolarHBondContact OE1-CE 3.42Å; E121-K154 IonicContact OE1-NZ 2.68Å; E121-K154 PolarHBondContact OE1-NZ 3.09Å; S150-K154 WeakPolarHBondContact CB-O 3.25Å; S150-K154 WeakPolarHBondContact O-CB 3.3Å; S150-K154 PolarHBondContact OG-O 3.19Å; R152-K154 PolarHBondContact O-N 2.94Å; K154-K177 WeakPolarHBondContact O-CG 3.4Å |
| 155 | S | 98.6 | Very high | 98 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 157.4 | 172.6 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | N119 R174 I176 | N119-S155 PolarHBondContact ND2-O 3.4Å; S155-R174 VanDerWaalsContact CB-O 3.3Å; S155-R174 WeakPolarHBondContact CB-O 3.46Å; S155-R174 PolarHBondContact OG-O 3.04Å; S155-I176 CarbonylContact C-O 3.57Å; S155-I176 WeakPolarHBondContact CA-O 3.36Å |
| 156 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 147.6 | 162.9 | -68.2 | -51.1 | 0 | 0 | 0 | 111.3 | A117 N122 A125 F146 G148 R149 L158 R174 A175 I176 V178 | A117-F156 HydrophobicContact CB-CB 4.17Å; A117-F156 HydrophobicContact CB-CD1 4.47Å; A117-F156 HydrophobicContact CB-CD2 4.13Å; A117-F156 HydrophobicContact CB-CG 4.04Å; N122-F156 HydrophobicContact CB-CE1 4.18Å; A125-F156 HydrophobicContact CB-CD1 4.39Å; A125-F156 HydrophobicContact CB-CE1 3.52Å; A125-F156 HydrophobicContact CB-CE2 3.96Å; A125-F156 HydrophobicContact CB-CZ 3.26Å; F146-F156 HydrophobicContact CD1-CD2 4.12Å; F146-F156 HydrophobicContact CD1-CE2 4.38Å; G148-F156 WeakPolarHBondContact O-CE2 3.38Å; R149-F156 WeakPolarHBondContact O-CZ 3.04Å; F156-L158 HydrophobicContact CB-CD2 4.36Å; F156-R174 CarbonylContact O-C 3.55Å; F156-R174 VanDerWaalsContact O-CA 3.25Å; F156-R174 WeakPolarHBondContact O-CA 3.22Å; F156-R174 PolarHBondContact O-N 2.67Å; F156-A175 PolarHBondContact O-N 2.88Å; F156-I176 HydrophobicContact CB-CG2 4.39Å; F156-I176 PolarHBondContact N-O 2.86Å; F156-V178 HydrophobicContact CD2-CB 4.35Å; F156-V178 HydrophobicContact CD2-CG2 3.74Å; F156-V178 HydrophobicContact CE2-CB 3.87Å; F156-V178 HydrophobicContact CE2-CG2 3.7Å |
| 157 | T | 98.8 | Very high | 97.9 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.4 | 153.1 | -70.6 | 0 | 0 | 0 | 0 | 107.8 | A117 G118 T171 Y172 R174 | A117-T157 WeakPolarHBondContact CA-O 3.31Å; G118-T157 PolarHBondContact N-O 2.95Å; G118-T157 PolarHBondContact O-N 2.82Å; T157-T171 HydrophobicContact CG2-CG2 3.3Å; T157-Y172 WeakPolarHBondContact CA-O 3.3Å; T157-R174 PolarHBondContact OG1-N 3.24Å |
| 158 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 138.8 | 174 | -50.2 | -173.5 | 0 | 0 | 0 | 110.7 | L85 F99 V115 M116 A117 F146 F156 T171 Y172 A175 I176 | L85-L158 HydrophobicContact CD1-CD1 3.51Å; F99-L158 HydrophobicContact CZ-CD1 4.39Å; V115-L158 HydrophobicContact CG1-CB 4.29Å; V115-L158 HydrophobicContact CG1-CD1 4.27Å; V115-L158 HydrophobicContact CG1-CD2 4.46Å; M116-L158 CarbonylContact O-C 3.6Å; M116-L158 VanDerWaalsContact O-CA 3.28Å; M116-L158 WeakPolarHBondContact O-CA 3.18Å; A117-L158 HydrophobicContact CB-CD2 3.56Å; F146-L158 HydrophobicContact CE1-CD2 3.66Å; F146-L158 HydrophobicContact CZ-CD1 4.3Å; F146-L158 HydrophobicContact CZ-CD2 4.12Å; F156-L158 HydrophobicContact CB-CD2 4.36Å; L158-T171 CarbonylContact O-C 3.57Å; L158-T171 VanDerWaalsContact O-CA 3.31Å; L158-T171 WeakPolarHBondContact O-CA 3.32Å; L158-T171 WeakPolarHBondContact O-CG2 3.29Å; L158-Y172 HydrophobicContact CD1-CD1 4.4Å; L158-Y172 PolarHBondContact N-O 3.17Å; L158-Y172 PolarHBondContact O-N 3Å; L158-A175 HydrophobicContact CD1-CB 4.2Å; L158-A175 HydrophobicContact CG-CB 3.98Å; L158-I176 HydrophobicContact CD2-CG2 4.41Å |
| 159 | T | 98.7 | Very high | 97.9 | Very high | 45 Ų | 45 | 57.8 Ų | 57.8 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 114.6 | 169.3 | -52.3 | 0 | 0 | 0 | 0 | 107.7 | V115 M116 V169 | V115-T159 WeakPolarHBondContact CA-O 3.17Å; M116-T159 HydrophobicContact CE-CG2 4.06Å; M116-T159 PolarHBondContact N-O 3.39Å; M116-T159 PolarHBondContact O-N 2.91Å; T159-V169 HydrophobicContact CG2-CG1 3.59Å |
| 160 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.4 | -179.4 | -54.4 | 165.4 | 0 | 0 | 0 | 107.1 | T75 C82 F99 V101 V113 T114 V115 V169 A170 | T75-I160 HydrophobicContact CG2-CD1 4.07Å; C82-I160 HydrophobicContact CB-CD1 3.99Å; F99-I160 HydrophobicContact CZ-CD1 4.32Å; V101-I160 HydrophobicContact CG1-CG2 4.12Å; V101-I160 HydrophobicContact CG2-CD1 4.17Å; V101-I160 HydrophobicContact CG2-CG2 3.82Å; V113-I160 HydrophobicContact CG1-CG2 3.79Å; T114-I160 WeakPolarHBondContact O-CA 3.42Å; V115-I160 HydrophobicContact CG2-CG1 4.4Å; I160-V169 CarbonylContact O-C 3.06Å; I160-V169 WeakPolarHBondContact O-CA 3.28Å; I160-A170 WeakPolarHBondContact CA-O 3.46Å; I160-A170 HydrophobicContact CB-CB 4.38Å; I160-A170 VanDerWaalsContact CB-O 3.28Å; I160-A170 WeakPolarHBondContact CB-O 3.12Å; I160-A170 PolarHBondContact N-O 2.87Å; I160-A170 PolarHBondContact O-N 2.77Å |
| 161 | T | 98.7 | Very high | 97.8 | Very high | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.5 | 179.3 | -55.6 | 0 | 0 | 0 | 0 | 109.7 | V113 T114 F163 V169 | V113-T161 CarbonylContact C-O 3.51Å; V113-T161 VanDerWaalsContact CA-O 3.29Å; V113-T161 WeakPolarHBondContact CA-O 3.5Å; T114-T161 PolarHBondContact N-O 2.94Å; T114-T161 PolarHBondContact O-N 2.63Å; T161-F163 HydrophobicContact CG2-CD2 4.08Å; T161-F163 HydrophobicContact CG2-CE1 4.22Å; T161-F163 HydrophobicContact CG2-CE2 3.61Å; T161-F163 HydrophobicContact CG2-CZ 3.7Å; T161-V169 HydrophobicContact CG2-CG2 4.45Å |
| 162 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | F80 V107 T111 V113 M134 T164 P167 Q168 | F80-V162 HydrophobicContact CD1-CG2 4.23Å; F80-V162 HydrophobicContact CE1-CB 4.37Å; F80-V162 HydrophobicContact CE1-CG1 4.28Å; F80-V162 HydrophobicContact CE1-CG2 3.75Å; F80-V162 HydrophobicContact CE2-CG2 4.5Å; F80-V162 HydrophobicContact CZ-CB 4.14Å; F80-V162 HydrophobicContact CZ-CG1 4.19Å; F80-V162 HydrophobicContact CZ-CG2 3.91Å; V107-V162 HydrophobicContact CG1-CG1 3.97Å; T111-V162 HydrophobicContact CG2-CG1 3.85Å; V113-V162 HydrophobicContact CG1-CG2 3.95Å; V113-V162 HydrophobicContact CG2-CG1 4.28Å; V113-V162 HydrophobicContact CG2-CG2 4.08Å; M134-V162 HydrophobicContact CE-CG1 4.41Å; V162-T164 HydrophobicContact CG1-CG2 4.26Å; V162-T164 PolarHBondContact O-N 3.03Å; V162-P167 WeakPolarHBondContact O-CA 3.38Å; V162-Q168 HydrophobicContact CB-CB 4.47Å; V162-Q168 PolarHBondContact N-O 2.83Å; V162-Q168 PolarHBondContact O-N 3.12Å |
| 163 | F | 98.4 | Very high | 98 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | trans | -85.1 | 54.5 | -169.6 | -69.5 | -99.2 | 0 | 0 | 0 | 112.7 | L112 T114 T161 | L112-F163 HydrophobicContact CB-CB 4.23Å; L112-F163 HydrophobicContact CB-CD2 4.14Å; L112-F163 HydrophobicContact CB-CG 4.4Å; L112-F163 HydrophobicContact CD2-CD2 4.14Å; L112-F163 HydrophobicContact CD2-CE2 4.31Å; L112-F163 HydrophobicContact CG-CD2 4.12Å; L112-F163 WeakPolarHBondContact O-CD2 3.42Å; L112-F163 PolarHBondContact O-N 2.94Å; T114-F163 HydrophobicContact CG2-CE2 3.85Å; T114-F163 HydrophobicContact CG2-CZ 4.49Å; T114-F163 WeakPolarHBondContact OG1-CE2 3.32Å; T161-F163 HydrophobicContact CG2-CD2 4.08Å; T161-F163 HydrophobicContact CG2-CE1 4.22Å; T161-F163 HydrophobicContact CG2-CE2 3.61Å; T161-F163 HydrophobicContact CG2-CZ 3.7Å | ||
| 164 | T | 97.3 | Very high | 98.1 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | trans | -70.8 | 175.2 | 163.4 | 45.3 | 0 | 0 | 0 | 0 | 111.2 | V107 T111 V162 P166 P167 Q168 | V107-T164 HydrophobicContact CG1-CG2 3.91Å; V107-T164 HydrophobicContact CG2-CG2 4.37Å; T111-T164 HydrophobicContact CG2-CG2 4.25Å; V162-T164 HydrophobicContact CG1-CG2 4.26Å; V162-T164 PolarHBondContact O-N 3.03Å; T164-P166 CarbonylContact C-O 3.59Å; T164-P166 WeakPolarHBondContact CB-O 3.44Å; T164-P166 CarbonylContact O-C 3.57Å; T164-P166 PolarHBondContact OG1-O 2.87Å; T164-P167 WeakPolarHBondContact O-CA 3.31Å; T164-P167 WeakPolarHBondContact O-CD 3.34Å; T164-Q168 PolarHBondContact OG1-NE2 2.86Å; T164-Q168 VanDerWaalsContact OG1-NE2 3.08Å | ||
| 165 | G | 93.9 | Very high | 98.1 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 85% | 0.845 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -109.1 | 107.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 166 | P | 96.3 | Very high | 98.1 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 68% | 0.682 | 27% | 0.267 | S | S | * | . | S | Bend | cis | -71.7 | 162.4 | -5 | 32.7 | -36.7 | 0 | 0 | 0 | 112.9 | T164 | T164-P166 CarbonylContact C-O 3.59Å; T164-P166 WeakPolarHBondContact CB-O 3.44Å; T164-P166 CarbonylContact O-C 3.57Å; T164-P166 PolarHBondContact OG1-O 2.87Å |
| 167 | P | 97.8 | Very high | 98 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | trans | -64.1 | 139.9 | 175.5 | -22.7 | 34.3 | 0 | 0 | 0 | 111.6 | V162 T164 | V162-P167 WeakPolarHBondContact O-CA 3.38Å; T164-P167 WeakPolarHBondContact O-CA 3.31Å; T164-P167 WeakPolarHBondContact O-CD 3.34Å | ||
| 168 | Q | 97.9 | Very high | 98 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.2 | 175.8 | -71.3 | 173 | 87.2 | 0 | 0 | 110.2 | N79 F80 V162 T164 | N79-Q168 PolarHBondContact ND2-OE1 2.95Å; F80-Q168 HydrophobicContact CE2-CB 3.8Å; F80-Q168 HydrophobicContact CE2-CG 4.41Å; F80-Q168 HydrophobicContact CZ-CB 4.18Å; V162-Q168 HydrophobicContact CB-CB 4.47Å; V162-Q168 PolarHBondContact N-O 2.83Å; V162-Q168 PolarHBondContact O-N 3.12Å; T164-Q168 PolarHBondContact OG1-NE2 2.86Å; T164-Q168 VanDerWaalsContact OG1-NE2 3.08Å |
| 169 | V | 98.3 | Very high | 98 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.2 | 178.3 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | T159 I160 T161 | T159-V169 HydrophobicContact CG2-CG1 3.59Å; I160-V169 CarbonylContact O-C 3.06Å; I160-V169 WeakPolarHBondContact O-CA 3.28Å; T161-V169 HydrophobicContact CG2-CG2 4.45Å |
| 170 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 131.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T75 D76 F80 I160 | T75-A170 HydrophobicContact CG2-CB 4.08Å; D76-A170 WeakPolarHBondContact OD1-CA 3.34Å; F80-A170 HydrophobicContact CB-CB 4Å; F80-A170 HydrophobicContact CD2-CB 4.13Å; F80-A170 HydrophobicContact CG-CB 4.35Å; I160-A170 WeakPolarHBondContact CA-O 3.46Å; I160-A170 HydrophobicContact CB-CB 4.38Å; I160-A170 VanDerWaalsContact CB-O 3.28Å; I160-A170 WeakPolarHBondContact CB-O 3.12Å; I160-A170 PolarHBondContact N-O 2.87Å; I160-A170 PolarHBondContact O-N 2.77Å |
| 171 | T | 98.5 | Very high | 97.9 | Very high | 23 Ų | 23 | 55 Ų | 55 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.3 | -174.1 | -40.7 | 0 | 0 | 0 | 0 | 111 | T75 D76 T157 L158 H173 | T75-T171 WeakPolarHBondContact CA-O 3.41Å; T75-T171 WeakPolarHBondContact CB-O 3.38Å; D76-T171 VanDerWaalsContact CG-CB 3.5Å; D76-T171 VanDerWaalsContact CG-N 3.34Å; D76-T171 PolarHBondContact N-O 3.29Å; D76-T171 PolarHBondContact OD1-N 2.93Å; D76-T171 WeakPolarHBondContact OD2-CB 3.45Å; D76-T171 PolarHBondContact OD2-OG1 2.82Å; T157-T171 HydrophobicContact CG2-CG2 3.3Å; L158-T171 CarbonylContact O-C 3.57Å; L158-T171 VanDerWaalsContact O-CA 3.31Å; L158-T171 WeakPolarHBondContact O-CA 3.32Å; L158-T171 WeakPolarHBondContact O-CG2 3.29Å; T171-H173 VanDerWaalsContact CG2-CE1 3.42Å; T171-H173 WeakPolarHBondContact CG2-CE1 3.46Å |
| 172 | Y | 98.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 95.3 | 169.3 | -175.8 | -169.1 | 0 | 0 | 0 | 109.4 | V73 C82 L85 T157 L158 A175 | V73-Y172 HydrophobicContact CG1-CD1 4.34Å; V73-Y172 HydrophobicContact CG1-CE1 3.77Å; V73-Y172 HydrophobicContact CG1-CE2 4.17Å; V73-Y172 HydrophobicContact CG2-CE2 4.49Å; C82-Y172 VanDerWaalsContact SG-CD1 3.52Å; L85-Y172 HydrophobicContact CD1-CE1 4.45Å; L85-Y172 HydrophobicContact CG-CE1 4.49Å; T157-Y172 WeakPolarHBondContact CA-O 3.3Å; L158-Y172 HydrophobicContact CD1-CD1 4.4Å; L158-Y172 PolarHBondContact N-O 3.17Å; L158-Y172 PolarHBondContact O-N 3Å; Y172-A175 HydrophobicContact CD1-CB 3.46Å; Y172-A175 VanDerWaalsContact CD1-CB 3.46Å; Y172-A175 HydrophobicContact CD2-CB 3.88Å; Y172-A175 HydrophobicContact CE1-CB 3.56Å; Y172-A175 HydrophobicContact CE2-CB 3.94Å; Y172-A175 HydrophobicContact CG-CB 3.63Å |
| 173 | H | 98.4 | Very high | 97.7 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 135.7 | -175.3 | -60.2 | -69.4 | 0 | 0 | 0 | 113.3 | T171 A175 | T171-H173 VanDerWaalsContact CG2-CE1 3.42Å; T171-H173 WeakPolarHBondContact CG2-CE1 3.46Å; H173-A175 PolarHBondContact O-N 2.87Å; H173-A175 VanDerWaalsContact O-N 3.1Å |
| 174 | R | 97.9 | Very high | 97.5 | Very high | 200 Ų | 200 | 60 Ų | 60 | 76% | 0.755 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 21.4 | 175.5 | -57 | -179.6 | -69.5 | -117.9 | -1 | 115.1 | S155 F156 T157 I176 | S155-R174 VanDerWaalsContact CB-O 3.3Å; S155-R174 WeakPolarHBondContact CB-O 3.46Å; S155-R174 PolarHBondContact OG-O 3.04Å; F156-R174 CarbonylContact O-C 3.55Å; F156-R174 VanDerWaalsContact O-CA 3.25Å; F156-R174 WeakPolarHBondContact O-CA 3.22Å; F156-R174 PolarHBondContact O-N 2.67Å; T157-R174 PolarHBondContact OG1-N 3.24Å; R174-I176 VanDerWaalsContact C-N 3.34Å; R174-I176 PolarHBondContact O-N 3.43Å |
| 175 | A | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | -42 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L85 F156 L158 Y172 H173 | L85-A175 HydrophobicContact CD1-CB 4.31Å; F156-A175 PolarHBondContact O-N 2.88Å; L158-A175 HydrophobicContact CD1-CB 4.2Å; L158-A175 HydrophobicContact CG-CB 3.98Å; Y172-A175 HydrophobicContact CD1-CB 3.46Å; Y172-A175 VanDerWaalsContact CD1-CB 3.46Å; Y172-A175 HydrophobicContact CD2-CB 3.88Å; Y172-A175 HydrophobicContact CE1-CB 3.56Å; Y172-A175 HydrophobicContact CE2-CB 3.94Å; Y172-A175 HydrophobicContact CG-CB 3.63Å; H173-A175 PolarHBondContact O-N 2.87Å; H173-A175 VanDerWaalsContact O-N 3.1Å |
| 176 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 131.7 | -168.5 | -177.1 | 157.3 | 0 | 0 | 0 | 113 | L85 P86 W89 L95 F146 S155 F156 L158 R174 V178 | L85-I176 HydrophobicContact CB-CB 4.4Å; L85-I176 HydrophobicContact CB-CD1 4.36Å; L85-I176 HydrophobicContact CD1-CB 4.42Å; L85-I176 HydrophobicContact CD1-CG2 4.22Å; P86-I176 VanDerWaalsContact O-CG1 3.3Å; P86-I176 WeakPolarHBondContact O-CG1 3.41Å; W89-I176 HydrophobicContact CB-CD1 3.76Å; W89-I176 HydrophobicContact CB-CG1 4.29Å; L95-I176 HydrophobicContact CD2-CD1 4.24Å; F146-I176 HydrophobicContact CD1-CG2 4.32Å; F146-I176 HydrophobicContact CD2-CD1 3.96Å; F146-I176 HydrophobicContact CE1-CG2 3.86Å; F146-I176 HydrophobicContact CE2-CD1 3.81Å; F146-I176 HydrophobicContact CE2-CG2 4.27Å; F146-I176 HydrophobicContact CZ-CD1 4.45Å; F146-I176 HydrophobicContact CZ-CG2 3.84Å; S155-I176 CarbonylContact C-O 3.57Å; S155-I176 WeakPolarHBondContact CA-O 3.36Å; F156-I176 HydrophobicContact CB-CG2 4.39Å; F156-I176 PolarHBondContact N-O 2.86Å; L158-I176 HydrophobicContact CD2-CG2 4.41Å; R174-I176 VanDerWaalsContact C-N 3.34Å; R174-I176 PolarHBondContact O-N 3.43Å; I176-V178 HydrophobicContact CD1-CG2 4.44Å; I176-V178 HydrophobicContact CG1-CG2 3.9Å; I176-V178 HydrophobicContact CG2-CG2 4.39Å |
| 177 | K | 98.7 | Very high | 96.8 | Very high | 59 Ų | 59 | 72.9 Ų | 72.9 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.7 | 169.8 | 175.4 | -176.8 | 71.7 | -169 | 0 | 110.1 | S87 H88 W89 S150 K154 T179 | S87-K177 WeakPolarHBondContact O-CB 3.46Å; S87-K177 PolarHBondContact O-N 2.93Å; H88-K177 CarbonylContact C-O 3.46Å; H88-K177 VanDerWaalsContact CA-O 3.31Å; H88-K177 WeakPolarHBondContact CA-O 3.42Å; H88-K177 VanDerWaalsContact CD2-CE 3.42Å; H88-K177 WeakPolarHBondContact CD2-CE 3.18Å; H88-K177 PolarHBondContact CD2-O 2.94Å; H88-K177 WeakPolarHBondContact ND1-CE 3.46Å; H88-K177 PolarHBondContact ND1-NZ 3.03Å; W89-K177 PolarHBondContact N-O 2.82Å; S150-K177 WeakPolarHBondContact OG-CA 3.46Å; K154-K177 WeakPolarHBondContact O-CG 3.4Å; K177-T179 HydrophobicContact CG-CG2 4.33Å |
| 178 | V | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.9 | -172.4 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | C91 F146 G148 R149 S150 F156 I176 | C91-V178 HydrophobicContact CB-CG1 3.8Å; F146-V178 HydrophobicContact CB-CB 4.37Å; F146-V178 HydrophobicContact CB-CG1 3.84Å; F146-V178 HydrophobicContact CB-CG2 3.67Å; F146-V178 HydrophobicContact CD1-CG2 4.2Å; F146-V178 HydrophobicContact CG-CG2 3.88Å; G148-V178 VanDerWaalsContact O-CG1 3.29Å; G148-V178 WeakPolarHBondContact O-CG1 3.4Å; R149-V178 WeakPolarHBondContact CA-O 3.36Å; S150-V178 PolarHBondContact N-O 2.91Å; S150-V178 VanDerWaalsContact N-O 3.15Å; S150-V178 PolarHBondContact OG-N 3.49Å; F156-V178 HydrophobicContact CD2-CB 4.35Å; F156-V178 HydrophobicContact CD2-CG2 3.74Å; F156-V178 HydrophobicContact CE2-CB 3.87Å; F156-V178 HydrophobicContact CE2-CG2 3.7Å; I176-V178 HydrophobicContact CD1-CG2 4.44Å; I176-V178 HydrophobicContact CG1-CG2 3.9Å; I176-V178 HydrophobicContact CG2-CG2 4.39Å |
| 179 | T | 98.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 85.6 Ų | 85.6 | 18% | 0.184 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 168 | -177.5 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | H88 W89 R90 C91 K177 D181 G182 | H88-T179 PolarHBondContact NE2-OG1 2.89Å; W89-T179 PolarHBondContact O-N 2.72Å; W89-T179 VanDerWaalsContact O-N 3.12Å; R90-T179 CarbonylContact C-O 3.56Å; R90-T179 WeakPolarHBondContact CA-O 3.42Å; C91-T179 PolarHBondContact N-O 3.15Å; K177-T179 HydrophobicContact CG-CG2 4.33Å; T179-D181 VanDerWaalsContact C-N 3.31Å; T179-D181 PolarHBondContact O-N 3Å; T179-G182 PolarHBondContact OG1-N 3.31Å |
| 180 | V | 98.1 | Very high | 93.4 | Very high | 71 Ų | 71 | 92.6 Ų | 92.6 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -61.7 | -36.5 | -178.8 | -179.1 | 0 | 0 | 0 | 0 | 113.2 | R90 | R90-V180 VanDerWaalsContact CG-O 3.3Å; R90-V180 WeakPolarHBondContact CG-O 3.42Å; R90-V180 PolarHBondContact NE-O 3.43Å |
| 181 | D | 96.4 | Very high | 91.7 | Very high | 73 Ų | 73 | 97.7 Ų | 97.7 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -91 | -36.6 | 179.2 | -74.5 | 2.7 | 0 | 0 | 0 | 112.4 | R90 T179 R184 | R90-D181 WeakPolarHBondContact CD-O 3.38Å; R90-D181 WeakPolarHBondContact CG-O 3.37Å; T179-D181 VanDerWaalsContact C-N 3.31Å; T179-D181 PolarHBondContact O-N 3Å; D181-R184 HydrophobicContact CB-CB 4.38Å; D181-R184 IonicContact OD1-NH1 3.73Å; D181-R184 WeakPolarHBondContact OD2-CD 3.37Å; D181-R184 IonicContact OD2-CZ 2.63Å; D181-R184 IonicContact OD2-NE 3.78Å; D181-R184 IonicContact OD2-NH1 3.11Å; D181-R184 PolarHBondContact OD2-NH1 2.67Å |
| 182 | G | 96.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 102.8 Ų | 102.8 | 4% | 0.041 | 47% | 0.468 | C | S | . | . | trans | 72.8 | -156.9 | -162.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H88 W89 T179 R184 | H88-G182 VanDerWaalsContact CE1-C 3.42Å; H88-G182 PolarHBondContact CE1-O 2.89Å; H88-G182 PolarHBondContact NE2-O 2.83Å; W89-G182 VanDerWaalsContact C-CA 3.47Å; W89-G182 WeakPolarHBondContact O-CA 3.4Å; T179-G182 PolarHBondContact OG1-N 3.31Å; G182-R184 PolarHBondContact O-N 2.82Å | ||
| 183 | P | 96.6 | Very high | 87.6 | Confident | 76 Ų | 76 | 109.1 Ų | 109.1 | 49% | 0.494 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -55.1 | 133.3 | 162.4 | -21.3 | 33.3 | 0 | 0 | 0 | 109.5 | H88 | H88-P183 HydrophobicContact CB-CG 4.19Å; H88-P183 VanDerWaalsContact O-CD 3.32Å; H88-P183 WeakPolarHBondContact O-CD 3.42Å; H88-P183 WeakPolarHBondContact O-CG 3.5Å |
| 184 | R | 95.1 | Very high | 85.4 | Confident | 143 Ų | 143 | 110.8 Ų | 110.8 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | trans | -150.8 | 142.5 | -176.3 | -176.6 | 176.8 | -177.7 | 169.4 | 9 | 109.4 | D181 G182 | D181-R184 HydrophobicContact CB-CB 4.38Å; D181-R184 IonicContact OD1-NH1 3.73Å; D181-R184 WeakPolarHBondContact OD2-CD 3.37Å; D181-R184 IonicContact OD2-CZ 2.63Å; D181-R184 IonicContact OD2-NE 3.78Å; D181-R184 IonicContact OD2-NH1 3.11Å; D181-R184 PolarHBondContact OD2-NH1 2.67Å; G182-R184 PolarHBondContact O-N 2.82Å | ||
| 185 | E | 91.9 | Very high | 83.1 | Confident | 152 Ų | 152 | 105.1 Ų | 105.1 | 71% | 0.71 | 49% | 0.494 | S | S | * | . | trans | -60.6 | 145.6 | 179.4 | -62.2 | 62.1 | -130.7 | 0 | 0 | 110.3 | R187 | E185-R187 PolarHBondContact O-N 3.42Š| ||
| 186 | P | 92.3 | Very high | 81 | Confident | 126 Ų | 126 | 109.9 Ų | 109.9 | 82% | 0.818 | 52% | 0.522 | S | S | * | . | trans | -52.5 | 115.4 | 170 | -26 | 35.1 | 0 | 0 | 0 | 110.2 | R188 | P186-R188 PolarHBondContact O-N 3.09Š| ||
| 187 | R | 87.1 | Confident | 79 | Confident | 208 Ų | 208 | 116.2 Ų | 116.2 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | trans | -59.9 | 111.2 | 177.9 | -68.4 | -172.6 | -65.7 | 154.7 | 0.1 | 108 | E185 H189 | E185-R187 PolarHBondContact O-N 3.42Å; R187-H189 PolarHBondContact O-N 3.03Å; R187-H189 VanDerWaalsContact O-N 3.17Å | ||
| 188 | R | 82.6 | Confident | 76.8 | Confident | 241 Ų | 241 | 120.1 Ų | 120.1 | 91% | 0.909 | 58% | 0.578 | S | S | * | * | trans | -50 | 124.5 | 177.5 | -67.8 | -172.9 | 179.8 | -145.2 | 0.1 | 108.7 | P186 R190 | P186-R188 PolarHBondContact O-N 3.09Å; R188-R190 PolarHBondContact O-N 3.03Å | ||
| 189 | H | 70.6 | Confident | 74.7 | Confident | 166 Ų | 166 | 122.3 Ų | 122.3 | 77% | 0.769 | 59% | 0.589 | S | S | * | * | trans | -62.5 | 110.2 | 171.3 | -174.9 | -93.8 | 0 | 0 | 0 | 107.3 | R187 V191 | R187-H189 PolarHBondContact O-N 3.03Å; R187-H189 VanDerWaalsContact O-N 3.17Å; H189-V191 PolarHBondContact O-N 3.14Å | ||
| 190 | R | 68.9 | Low | 72.9 | Confident | 224 Ų | 224 | 127.3 Ų | 127.3 | 85% | 0.845 | 61% | 0.61 | S | S | * | * | trans | -67.2 | 91.2 | 171.5 | 177 | 179.5 | 167.5 | -177 | -5.4 | 106.5 | R188 K192 | R188-R190 PolarHBondContact O-N 3.03Å; R190-K192 PolarHBondContact O-N 3.29Å | ||
| 191 | V | 62.5 | Low | 70.9 | Confident | 107 Ų | 107 | 131.8 Ų | 131.8 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | trans | -51.1 | 116.1 | 162.8 | 177.5 | 0 | 0 | 0 | 0 | 105.8 | H189 M193 | H189-V191 PolarHBondContact O-N 3.14Å; V191-M193 VanDerWaalsContact C-N 3.25Å; V191-M193 PolarHBondContact O-N 2.75Å | ||
| 192 | K | 58.6 | Low | 69.4 | Low | 130 Ų | 130 | 131.1 Ų | 131.1 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | trans | -71.1 | 90.7 | 174.3 | -174.3 | -166.4 | 178.9 | -156.7 | 0 | 105.6 | R190 E194 M199 | R190-K192 PolarHBondContact O-N 3.29Å; K192-E194 PolarHBondContact O-N 3.27Å; K192-E194 VanDerWaalsContact O-N 3.09Å; K192-M199 WeakPolarHBondContact CE-SD 3.45Å; K192-M199 PolarHBondContact NZ-SD 3.01Å | ||
| 193 | M | 53.7 | Low | 67.8 | Low | 167 Ų | 167 | 134.4 Ų | 134.4 | 82% | 0.823 | 64% | 0.642 | S | S | * | * | trans | -54.8 | 118.5 | 165.9 | -90.5 | -178.4 | 157.8 | 0 | 0 | 107.2 | V191 D195 | V191-M193 VanDerWaalsContact C-N 3.25Å; V191-M193 PolarHBondContact O-N 2.75Å; M193-D195 PolarHBondContact O-N 3Å | ||
| 194 | E | 51.2 | Low | 66.3 | Low | 142 Ų | 142 | 138 Ų | 138 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | trans | -85.1 | 71.5 | -173.1 | -170.8 | 148.9 | -141.2 | 0 | 0 | 109.5 | K192 T196 | K192-E194 PolarHBondContact O-N 3.27Å; K192-E194 VanDerWaalsContact O-N 3.09Å; E194-T196 PolarHBondContact O-N 3.37Å; E194-T196 PolarHBondContact O-OG1 2.86Å | ||
| 195 | D | 50.6 | Low | 65.3 | Low | 80 Ų | 80 | 136.3 Ų | 136.3 | 43% | 0.428 | 65% | 0.646 | S | S | . | * | trans | -67.1 | 78.7 | 161.6 | -88.7 | -6.7 | 0 | 0 | 0 | 108.1 | M193 T197 K198 | M193-D195 PolarHBondContact O-N 3Å; D195-T197 PolarHBondContact O-N 2.92Å; D195-K198 HydrophobicContact CB-CB 4.25Å; D195-K198 HydrophobicContact CB-CD 4.07Å; D195-K198 HydrophobicContact CB-CG 4.27Å; D195-K198 PolarHBondContact O-N 3.41Å; D195-K198 WeakPolarHBondContact OD2-CD 3.5Å; D195-K198 WeakPolarHBondContact OD2-CE 3.49Å; D195-K198 IonicContact OD2-NZ 3.16Å; D195-K198 PolarHBondContact OD2-NZ 2.74Å | ||
| 196 | T | 53.8 | Low | 64.5 | Low | 108 Ų | 108 | 131.3 Ų | 131.3 | 66% | 0.663 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -50.1 | -33.8 | -178.5 | -45.4 | 0 | 0 | 0 | 0 | 112 | E194 K198 | E194-T196 PolarHBondContact O-N 3.37Å; E194-T196 PolarHBondContact O-OG1 2.86Å; T196-K198 PolarHBondContact O-N 3.03Å |
| 197 | T | 56.3 | Low | 63.5 | Low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -71.3 | -14.3 | 178.5 | 20.5 | 0 | 0 | 0 | 0 | 115.7 | D195 | D195-T197 PolarHBondContact O-N 2.92Š|
| 198 | K | 52.8 | Low | 63 | Low | 141 Ų | 141 | 124.4 Ų | 124.4 | 61% | 0.613 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -103.7 | -10.1 | -177.9 | -68.1 | 177.3 | -170.4 | 152.9 | 0 | 114.4 | D195 T196 Q200 | D195-K198 HydrophobicContact CB-CB 4.25Å; D195-K198 HydrophobicContact CB-CD 4.07Å; D195-K198 HydrophobicContact CB-CG 4.27Å; D195-K198 PolarHBondContact O-N 3.41Å; D195-K198 WeakPolarHBondContact OD2-CD 3.5Å; D195-K198 WeakPolarHBondContact OD2-CE 3.49Å; D195-K198 IonicContact OD2-NZ 3.16Å; D195-K198 PolarHBondContact OD2-NZ 2.74Å; T196-K198 PolarHBondContact O-N 3.03Å; K198-Q200 PolarHBondContact O-N 3.47Å |
| 199 | M | 53.9 | Low | 62.4 | Low | 46 Ų | 46 | 117.6 Ų | 117.6 | 23% | 0.227 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -64.5 | -40.8 | -174.9 | -67.5 | -92.8 | 53 | 0 | 0 | 112.6 | K192 F201 S202 D203 | K192-M199 WeakPolarHBondContact CE-SD 3.45Å; K192-M199 PolarHBondContact NZ-SD 3.01Å; M199-F201 VanDerWaalsContact C-N 3.29Å; M199-F201 PolarHBondContact O-N 3.04Å; M199-S202 PolarHBondContact O-N 3.36Å; M199-D203 WeakPolarHBondContact CB-OD2 3.47Å; M199-D203 PolarHBondContact O-N 2.7Å |
| 200 | Q | 60.1 | Low | 62.6 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -56.1 | -29.8 | -172.3 | -71.6 | -157.9 | 13.5 | 0 | 0 | 116.5 | K198 R204 | K198-Q200 PolarHBondContact O-N 3.47Å; Q200-R204 VanDerWaalsContact O-CD 3.28Å; Q200-R204 WeakPolarHBondContact O-CD 3.22Å; Q200-R204 WeakPolarHBondContact O-CG 3.28Å; Q200-R204 PolarHBondContact O-NE 3.18Å |
| 201 | F | 56.9 | Low | 62.4 | Low | 165 Ų | 165 | 113.9 Ų | 113.9 | 72% | 0.724 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -88.1 | -37.4 | 176.8 | -119.6 | -81.1 | 0 | 0 | 0 | 112 | M199 L205 | M199-F201 VanDerWaalsContact C-N 3.29Å; M199-F201 PolarHBondContact O-N 3.04Å; F201-L205 PolarHBondContact O-N 2.69Å |
| 202 | S | 65 | Low | 62.6 | Low | 59 Ų | 59 | 114.5 Ų | 114.5 | 41% | 0.413 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.2 | -40.5 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | M199 L205 S206 | M199-S202 PolarHBondContact O-N 3.36Å; S202-L205 PolarHBondContact O-N 2.87Å; S202-S206 VanDerWaalsContact O-CB 3.3Å; S202-S206 WeakPolarHBondContact O-CB 3.3Å; S202-S206 PolarHBondContact O-N 3.48Å; S202-S206 PolarHBondContact O-OG 2.89Å |
| 203 | D | 63.9 | Low | 62.9 | Low | 72 Ų | 72 | 115.2 Ų | 115.2 | 39% | 0.385 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -72.3 | -41.9 | -177.3 | -66.2 | -32.5 | 0 | 0 | 0 | 111.3 | M199 L205 S206 E207 | M199-D203 WeakPolarHBondContact CB-OD2 3.47Å; M199-D203 PolarHBondContact O-N 2.7Å; D203-L205 VanDerWaalsContact C-N 3.33Å; D203-L205 PolarHBondContact O-N 3.05Å; D203-S206 CarbonylContact O-C 3.17Å; D203-S206 WeakPolarHBondContact O-CB 3.41Å; D203-S206 PolarHBondContact O-N 3.18Å; D203-S206 VanDerWaalsContact O-N 3.13Å; D203-E207 VanDerWaalsContact O-CB 3.25Å; D203-E207 WeakPolarHBondContact O-CB 3.49Å; D203-E207 PolarHBondContact O-N 2.86Å |
| 204 | R | 65.4 | Low | 63.2 | Low | 152 Ų | 152 | 110.1 Ų | 110.1 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.5 | -41.4 | 172.6 | -71 | 173.1 | -163.6 | -109 | 7.5 | 112.3 | Q200 E207 I208 | Q200-R204 VanDerWaalsContact O-CD 3.28Å; Q200-R204 WeakPolarHBondContact O-CD 3.22Å; Q200-R204 WeakPolarHBondContact O-CG 3.28Å; Q200-R204 PolarHBondContact O-NE 3.18Å; R204-E207 PolarHBondContact O-N 3.34Å; R204-I208 PolarHBondContact O-N 3.3Å |
| 205 | L | 72.8 | Confident | 63.3 | Low | 107 Ų | 107 | 111.2 Ų | 111.2 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.4 | -40.7 | 174 | -74.4 | 170.5 | 0 | 0 | 0 | 112 | F201 S202 D203 E207 I208 E209 | F201-L205 PolarHBondContact O-N 2.69Å; S202-L205 PolarHBondContact O-N 2.87Å; D203-L205 VanDerWaalsContact C-N 3.33Å; D203-L205 PolarHBondContact O-N 3.05Å; L205-E207 PolarHBondContact O-N 2.96Å; L205-I208 PolarHBondContact O-N 2.73Å; L205-E209 WeakPolarHBondContact O-CB 3.38Å; L205-E209 PolarHBondContact O-N 3.39Å |
| 206 | S | 75.3 | Confident | 63.7 | Low | 47 Ų | 47 | 117.4 Ų | 117.4 | 33% | 0.329 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.4 | -19.4 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | S202 D203 R210 | S202-S206 VanDerWaalsContact O-CB 3.3Å; S202-S206 WeakPolarHBondContact O-CB 3.3Å; S202-S206 PolarHBondContact O-N 3.48Å; S202-S206 PolarHBondContact O-OG 2.89Å; D203-S206 CarbonylContact O-C 3.17Å; D203-S206 WeakPolarHBondContact O-CB 3.41Å; D203-S206 PolarHBondContact O-N 3.18Å; D203-S206 VanDerWaalsContact O-N 3.13Å; S206-R210 WeakPolarHBondContact O-CG 3.35Å; S206-R210 PolarHBondContact O-N 2.79Å; S206-R210 PolarHBondContact O-NE 3.13Å |
| 207 | E | 71.8 | Confident | 63.7 | Low | 99 Ų | 99 | 118.5 Ų | 118.5 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -86.1 | -45.8 | 173.9 | -173.8 | 160.5 | -123.3 | 0 | 0 | 110.6 | D203 R204 L205 E209 R210 Y211 | D203-E207 VanDerWaalsContact O-CB 3.25Å; D203-E207 WeakPolarHBondContact O-CB 3.49Å; D203-E207 PolarHBondContact O-N 2.86Å; R204-E207 PolarHBondContact O-N 3.34Å; L205-E207 PolarHBondContact O-N 2.96Å; E207-E209 VanDerWaalsContact C-N 3.27Å; E207-E209 PolarHBondContact O-N 3.33Å; E207-R210 CarbonylContact O-C 3.56Å; E207-R210 WeakPolarHBondContact O-CA 3.25Å; E207-R210 WeakPolarHBondContact O-CB 3.39Å; E207-R210 PolarHBondContact O-N 3.36Å; E207-Y211 HydrophobicContact CG-CD2 4.03Å; E207-Y211 HydrophobicContact CG-CE2 4.02Å; E207-Y211 WeakPolarHBondContact O-CD2 3.42Å; E207-Y211 PolarHBondContact O-N 3.03Å |
| 208 | I | 75.3 | Confident | 63.3 | Low | 91 Ų | 91 | 114.5 Ų | 114.5 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -53.6 | -44.2 | 167.9 | -102.1 | 63.6 | 0 | 0 | 0 | 111.2 | R204 L205 R210 Y211 Q212 | R204-I208 PolarHBondContact O-N 3.3Å; L205-I208 PolarHBondContact O-N 2.73Å; I208-R210 VanDerWaalsContact C-N 3.28Å; I208-R210 PolarHBondContact O-N 2.91Å; I208-Y211 PolarHBondContact O-N 3.38Å; I208-Q212 WeakPolarHBondContact O-CG 3.43Å; I208-Q212 PolarHBondContact O-N 3.33Å |
| 209 | E | 71.7 | Confident | 62.9 | Low | 97 Ų | 97 | 114.5 Ų | 114.5 | 45% | 0.453 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.8 | -24.9 | 176.4 | -104.7 | -158.8 | -129.5 | 0 | 0 | 113.3 | L205 E207 R213 | L205-E209 WeakPolarHBondContact O-CB 3.38Å; L205-E209 PolarHBondContact O-N 3.39Å; E207-E209 VanDerWaalsContact C-N 3.27Å; E207-E209 PolarHBondContact O-N 3.33Å; E209-R213 VanDerWaalsContact O-CG 3.31Å; E209-R213 WeakPolarHBondContact O-CG 3.48Å; E209-R213 PolarHBondContact O-N 2.96Å; E209-R213 PolarHBondContact O-NH1 2.72Å; E209-R213 IonicContact OE2-CZ 3.17Å; E209-R213 IonicContact OE2-NH1 2.81Å; E209-R213 PolarHBondContact OE2-NH1 3.29Å; E209-R213 IonicContact OE2-NH2 2.73Å; E209-R213 PolarHBondContact OE2-NH2 2.87Å |
| 210 | R | 74.9 | Confident | 62.4 | Low | 161 Ų | 161 | 118.5 Ų | 118.5 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.4 | -40.7 | 172.4 | -86.1 | -178 | -80 | 174.4 | -3.1 | 111.4 | S206 E207 I208 R213 S214 | S206-R210 WeakPolarHBondContact O-CG 3.35Å; S206-R210 PolarHBondContact O-N 2.79Å; S206-R210 PolarHBondContact O-NE 3.13Å; E207-R210 CarbonylContact O-C 3.56Å; E207-R210 WeakPolarHBondContact O-CA 3.25Å; E207-R210 WeakPolarHBondContact O-CB 3.39Å; E207-R210 PolarHBondContact O-N 3.36Å; I208-R210 VanDerWaalsContact C-N 3.28Å; I208-R210 PolarHBondContact O-N 2.91Å; R210-R213 CarbonylContact O-C 3.56Å; R210-R213 PolarHBondContact O-N 3.37Å; R210-R213 VanDerWaalsContact O-N 3.15Å; R210-S214 PolarHBondContact O-N 3.39Å; R210-S214 PolarHBondContact O-OG 3.4Å |
| 211 | Y | 64.8 | Low | 61.3 | Low | 152 Ų | 152 | 119 Ų | 119 | 60% | 0.596 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.4 | -41.3 | 172.3 | -89 | -81.1 | 0 | 0 | 0 | 112.3 | E207 I208 R213 S214 M215 | E207-Y211 HydrophobicContact CG-CD2 4.03Å; E207-Y211 HydrophobicContact CG-CE2 4.02Å; E207-Y211 WeakPolarHBondContact O-CD2 3.42Å; E207-Y211 PolarHBondContact O-N 3.03Å; I208-Y211 PolarHBondContact O-N 3.38Å; Y211-R213 VanDerWaalsContact C-N 3.26Å; Y211-R213 PolarHBondContact O-N 3.15Å; Y211-S214 WeakPolarHBondContact CA-OG 3.44Å; Y211-S214 PolarHBondContact O-N 3.1Å; Y211-S214 PolarHBondContact O-OG 3.39Å; Y211-S214 VanDerWaalsContact O-OG 3.05Å; Y211-M215 WeakPolarHBondContact O-CB 3.31Å; Y211-M215 WeakPolarHBondContact O-CG 3.49Å; Y211-M215 PolarHBondContact O-N 2.82Å |
| 212 | Q | 65.2 | Low | 60.5 | Low | 119 Ų | 119 | 118.7 Ų | 118.7 | 56% | 0.556 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.9 | -25.4 | 173.9 | -72.4 | -173.9 | 8.9 | 0 | 0 | 113.4 | I208 R216 | I208-Q212 WeakPolarHBondContact O-CG 3.43Å; I208-Q212 PolarHBondContact O-N 3.33Å; Q212-R216 WeakPolarHBondContact O-CG 3.44Å |
| 213 | R | 65.7 | Low | 59 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 55% | 0.547 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -82.5 | -37.8 | 172.8 | -75.5 | -176.2 | -172.5 | 90.7 | -4 | 112.6 | E209 R210 Y211 R216 | E209-R213 VanDerWaalsContact O-CG 3.31Å; E209-R213 WeakPolarHBondContact O-CG 3.48Å; E209-R213 PolarHBondContact O-N 2.96Å; E209-R213 PolarHBondContact O-NH1 2.72Å; E209-R213 IonicContact OE2-CZ 3.17Å; E209-R213 IonicContact OE2-NH1 2.81Å; E209-R213 PolarHBondContact OE2-NH1 3.29Å; E209-R213 IonicContact OE2-NH2 2.73Å; E209-R213 PolarHBondContact OE2-NH2 2.87Å; R210-R213 CarbonylContact O-C 3.56Å; R210-R213 PolarHBondContact O-N 3.37Å; R210-R213 VanDerWaalsContact O-N 3.15Å; Y211-R213 VanDerWaalsContact C-N 3.26Å; Y211-R213 PolarHBondContact O-N 3.15Å; R213-R216 PolarHBondContact O-N 3.35Å |
| 214 | S | 59.4 | Low | 57.9 | Low | 61 Ų | 61 | 124.2 Ų | 124.2 | 43% | 0.427 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.6 | -39 | 176.6 | 62.8 | 0 | 0 | 0 | 0 | 111.8 | R210 Y211 R216 I217 | R210-S214 PolarHBondContact O-N 3.39Å; R210-S214 PolarHBondContact O-OG 3.4Å; Y211-S214 WeakPolarHBondContact CA-OG 3.44Å; Y211-S214 PolarHBondContact O-N 3.1Å; Y211-S214 PolarHBondContact O-OG 3.39Å; Y211-S214 VanDerWaalsContact O-OG 3.05Å; S214-R216 PolarHBondContact O-N 3.05Å; S214-I217 PolarHBondContact O-N 2.82Å |
| 215 | M | 53.2 | Low | 56.3 | Low | 164 Ų | 164 | 127.7 Ų | 127.7 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -3.3 | 173.1 | -68 | -69.3 | -72.9 | 0 | 0 | 114.4 | Y211 | Y211-M215 WeakPolarHBondContact O-CB 3.31Å; Y211-M215 WeakPolarHBondContact O-CG 3.49Å; Y211-M215 PolarHBondContact O-N 2.82Å |
| 216 | R | 58.8 | Low | 54.7 | Low | 211 Ų | 211 | 128.5 Ų | 128.5 | 80% | 0.796 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -0.6 | 171.3 | -68.8 | -179.9 | -177.2 | -176.4 | 2.3 | 113.7 | Q212 R213 S214 | Q212-R216 WeakPolarHBondContact O-CG 3.44Å; R213-R216 PolarHBondContact O-N 3.35Å; S214-R216 PolarHBondContact O-N 3.05Å |
| 217 | I | 53.9 | Low | 52.8 | Low | 131 Ų | 131 | 134.7 Ų | 134.7 | 67% | 0.672 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -103.5 | 110.1 | 173.5 | -59.7 | 178.5 | 0 | 0 | 0 | 107.4 | S214 | S214-I217 PolarHBondContact O-N 2.82Š|
| 218 | G | 48.5 | Very low | 50.8 | Low | 49 Ų | 49 | 138.4 Ų | 138.4 | 51% | 0.505 | 69% | 0.694 | S | S | . | * | trans | -61.9 | 160.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | V220 | G218-V220 PolarHBondContact O-N 3.38Š| ||
| 219 | P | 44 | Very low | 48.9 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 92% | 0.916 | 71% | 0.713 | S | S | * | * | trans | -65.9 | 106.7 | -170.1 | 26.5 | -35.1 | 0 | 0 | 0 | 112.3 | ||||
| 220 | V | 43.9 | Very low | 46.9 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | trans | -105.8 | 98.4 | 172.1 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | G218 | G218-V220 PolarHBondContact O-N 3.38Š| ||
| 221 | N | 37.7 | Very low | 45 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | 36.2 | 109.5 | 154.2 | -159.7 | 17.6 | 0 | 0 | 0 | 118.9 | N223 | N221-N223 PolarHBondContact O-N 3.21Š| ||
| 222 | N | 40.3 | Very low | 43.4 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -63.9 | 123.4 | 172.9 | -72.2 | -20.3 | 0 | 0 | 0 | 112.2 | ||||
| 223 | N | 32.6 | Very low | 41.7 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -151 | 99.4 | 158.2 | -165.6 | -6.4 | 0 | 0 | 0 | 111.8 | N221 R225 | N221-N223 PolarHBondContact O-N 3.21Å; N223-R225 PolarHBondContact O-N 3Å | ||
| 224 | P | 40.8 | Very low | 40 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -80 | 113.7 | -179.3 | 31.3 | -32.3 | 0 | 0 | 0 | 111.7 | ||||
| 225 | R | 32.4 | Very low | 38.7 | Very low | 225 Ų | 225 | 148.9 Ų | 148.9 | 85% | 0.849 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 119.7 | 162.8 | -68.6 | -172.8 | -178.3 | -172.5 | 1.1 | 109.6 | N223 | N223-R225 PolarHBondContact O-N 3Š|
| 226 | P | 38.9 | Very low | 37.6 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 129.5 | 173.4 | 29.2 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 227 | M | 34.4 | Very low | 36.1 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 121.1 | 164.4 | -84.1 | -101.9 | 58.6 | 0 | 0 | 108.7 | ||
| 228 | Q | 31.1 | Very low | 35 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -93.1 | 105.4 | -175.4 | -168.1 | 177.3 | 21.6 | 0 | 0 | 110.4 | ||||
| 229 | T | 34.9 | Very low | 35 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -95.1 | 132.1 | 167.1 | 42 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 230 | H | 30.6 | Very low | 34.3 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -111.9 | 132.1 | 175.9 | 55.1 | -94.4 | 0 | 0 | 0 | 109.7 | ||||
| 231 | L | 33.9 | Very low | 33.5 | Very low | 178 Ų | 178 | 154 Ų | 154 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -155.7 | 138.2 | 160.9 | -143.5 | 72 | 0 | 0 | 0 | 108.6 | ||||
| 232 | S | 30.6 | Very low | 33.3 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -112.2 | 127.6 | -160.4 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 233 | T | 29.9 | Very low | 32.8 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 9.9 | 131 | 147.9 | -48.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 234 | T | 30.8 | Very low | 32.8 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -146.5 | 167.8 | 134.1 | 0.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 235 | Q | 31.2 | Very low | 32.9 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -115.6 | 161.2 | -157.7 | -57.6 | 164.7 | -69.8 | 0 | 0 | 113.5 | ||||
| 236 | G | 29.8 | Very low | 32.8 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 176.2 | 89.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 237 | L | 27.3 | Very low | 32.5 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | 47.9 | 138.7 | 141 | -64.8 | 156.1 | 0 | 0 | 0 | 123 | ||||
| 238 | W | 31.4 | Very low | 32.3 | Very low | 241 Ų | 241 | 152.7 Ų | 152.7 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | -110.9 | 176.9 | 167.2 | -75.2 | 106.9 | 0 | 0 | 0 | 108.9 | ||||
| 239 | P | 48.5 | Very low | 32.3 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | cis | -142.5 | -164.1 | 20 | 43.1 | -21.3 | 0 | 0 | 0 | 117 | ||||
| 240 | E | 29.7 | Very low | 32 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 69.5 | 151.7 | 176.2 | -59.4 | -164.4 | 88.5 | 0 | 0 | 115.9 | ||||
| 241 | Q | 27.8 | Very low | 32.1 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | cis | -134.4 | 150 | 9.8 | -175.3 | -179 | -28.2 | 0 | 0 | 110.7 | ||||
| 242 | M | 31.6 | Very low | 32 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -85.9 | 147.5 | 170.2 | -85.3 | -170.2 | 170 | 0 | 0 | 111.9 | ||||
| 243 | D | 30.5 | Very low | 31.9 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -154.1 | 158.6 | 141.1 | -117.9 | -40.1 | 0 | 0 | 0 | 112 | ||||
| 244 | T | 33.5 | Very low | 32.1 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -135.3 | 165.9 | 176 | 66 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 245 | P | 41.7 | Very low | 32.1 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | -148.3 | 140.7 | 115.3 | 35.1 | -18.6 | 0 | 0 | 0 | 117.3 | |||||
| 246 | T | 29.7 | Very low | 32.4 | Very low | 119 Ų | 119 | 150 Ų | 150 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | 48.7 | 100.2 | 140 | 65 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 247 | L | 34.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 157.6 Ų | 157.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | 26.6 | 131.6 | 114.3 | -61.8 | 171.9 | 0 | 0 | 0 | 119.8 | |||||
| 248 | K | 30.1 | Very low | 32.5 | Very low | 216 Ų | 216 | 153.4 Ų | 153.4 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | -146.3 | 140.1 | 125.4 | -112.4 | 165.9 | -171.8 | 174 | 0 | 110.8 | |||||
| 249 | T | 31.7 | Very low | 32.4 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | -115.9 | 147.7 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 250 | C | 27.5 | Very low | 32.2 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -156 | 144.1 | 150.7 | -109.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 251 | K | 33.7 | Very low | 32.3 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -138 | 128.1 | -179.7 | -176.2 | -162.7 | 179.3 | -148.7 | 0 | 106.7 | ||||
| 252 | V | 30 | Very low | 32.6 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -141.7 | 147.1 | 178 | -179.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 253 | E | 29.3 | Very low | 32.9 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | -88.7 | 148.1 | -173.5 | -96.1 | 129 | 86.2 | 0 | 0 | 114.7 | ||||
| 254 | E | 33.7 | Very low | 33.1 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | 51.4 | 150 | 120.8 | -147.9 | 136.9 | -132 | 0 | 0 | 123.6 | |||||
| 255 | D | 31.1 | Very low | 33.2 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | 79.1 | 106.5 | 156.2 | -101.2 | 4.7 | 0 | 0 | 0 | 124.8 | ||||
| 256 | L | 37.5 | Very low | 33 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | 36 | 120 | 126.8 | -62 | 173.6 | 0 | 0 | 0 | 121.4 | |||||
| 257 | R | 32.3 | Very low | 33.7 | Very low | 231 Ų | 231 | 147.9 Ų | 147.9 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | 179.2 | 135.4 | 101 | -95.8 | 178.2 | -166.2 | -143 | 3.7 | 116.7 | |||||
| 258 | S | 27 | Very low | 33.7 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | trans | 49.6 | 117.9 | 135.1 | -51.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 259 | W | 28.7 | Very low | 34 | Very low | 244 Ų | 244 | 147.1 Ų | 147.1 | 92% | 0.924 | 77% | 0.766 | S | S | * | * | trans | 75.1 | 163 | 130.1 | -68.9 | -8.8 | 0 | 0 | 0 | 121.1 | ||||
| 260 | P | 45.7 | Very low | 34.1 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -131.3 | 153.4 | -17.5 | 28.5 | -8.4 | 0 | 0 | 0 | 116.8 | ||||
| 261 | G | 32.1 | Very low | 34.4 | Very low | 77 Ų | 77 | 146 Ų | 146 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 46.3 | 136.1 | 137.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 262 | T | 32.6 | Very low | 34.6 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | -160.7 | 142.1 | 111.5 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 263 | T | 38.7 | Very low | 34.9 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | trans | 36.5 | 110.9 | 155.2 | 51.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 264 | D | 33.8 | Very low | 35.2 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | 87.7 | 100.3 | 54.5 | -73.1 | -52.4 | 0 | 0 | 0 | 115.3 | F266 | D264-F266 WeakPolarHBondContact OD1-CE2 3.2Š| |||
| 265 | L | 36.3 | Very low | 35.5 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | trans | -144.4 | 119.4 | 138.5 | -78.6 | -174 | 0 | 0 | 0 | 109.2 | ||||
| 266 | F | 37.5 | Very low | 35.7 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | trans | -87.7 | 177.4 | 179.1 | -86.3 | -97.2 | 0 | 0 | 0 | 112 | D264 | D264-F266 WeakPolarHBondContact OD1-CE2 3.2Š| ||
| 267 | P | 45.2 | Very low | 35.8 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | cis | -132.3 | 164.6 | -6.5 | 20.5 | 4.1 | 0 | 0 | 0 | 117 | ||||
| 268 | Q | 33.7 | Very low | 35.9 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | 21.1 | 114.2 | 145.4 | -65.5 | -67.2 | -25.1 | 0 | 0 | 121.7 | ||||
| 269 | R | 35.9 | Very low | 36.3 | Very low | 213 Ų | 213 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | 30.3 | 107.9 | 110 | -167.1 | -168.7 | -134.7 | -98.1 | 6.1 | 117.3 | |||||
| 270 | S | 33.8 | Very low | 36.6 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -106.3 | 147.5 | 157.5 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 271 | T | 33.7 | Very low | 36.6 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | trans | -81.4 | 147.3 | -176.3 | -58 | 0 | 0 | 0 | 0 | 111.4 | P273 | T271-P273 WeakPolarHBondContact O-CD 3.37Š| ||
| 272 | F | 38.9 | Very low | 36.8 | Very low | 196 Ų | 196 | 141 Ų | 141 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -53.4 | 126 | 170.8 | -71.8 | -87.4 | 0 | 0 | 0 | 111.7 | S274 | F272-S274 PolarHBondContact O-N 2.96Š| ||
| 273 | P | 35.6 | Very low | 36.8 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 115.3 | 163.9 | -15 | 30.5 | 0 | 0 | 0 | 109.3 | T271 | T271-P273 WeakPolarHBondContact O-CD 3.37Š| ||
| 274 | S | 36.4 | Very low | 36.6 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -67.6 | 130.8 | 168.9 | 52 | 0 | 0 | 0 | 0 | 110.2 | F272 S276 | F272-S274 PolarHBondContact O-N 2.96Å; S274-S276 PolarHBondContact O-N 3.01Å; S274-S276 VanDerWaalsContact O-N 3.1Å | ||
| 275 | L | 38.7 | Very low | 36.8 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -70.7 | 103.1 | 170.4 | -66 | 175.8 | 0 | 0 | 0 | 109.8 | ||||
| 276 | S | 34.8 | Very low | 37.3 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 140.9 | 166 | -66.3 | 0 | 0 | 0 | 0 | 110.3 | S274 | S274-S276 PolarHBondContact O-N 3.01Å; S274-S276 VanDerWaalsContact O-N 3.1Å |
| 277 | P | 39.7 | Very low | 37.5 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 140.1 | -176.5 | 30.4 | -34.8 | 0 | 0 | 0 | 111.8 | ||
| 278 | L | 35.8 | Very low | 37.3 | Very low | 175 Ų | 175 | 148 Ų | 148 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 147.1 | 162.3 | -83.3 | 169.6 | 0 | 0 | 0 | 110.3 | ||
| 279 | T | 35.3 | Very low | 37.5 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 151 | -168.2 | 49 | 0 | 0 | 0 | 0 | 114.2 | ||
| 280 | D | 35 | Very low | 37.6 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -27 | 154.3 | 157.4 | -133 | -46.6 | 0 | 0 | 0 | 115.4 | R282 | D280-R282 PolarHBondContact OD1-N 3.02Š| ||
| 281 | P | 45.5 | Very low | 38.2 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | -150.5 | 122 | 93.8 | 36.8 | -18.3 | 0 | 0 | 0 | 118.3 | |||||
| 282 | R | 36.1 | Very low | 38.1 | Very low | 202 Ų | 202 | 147.8 Ų | 147.8 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 75.9 | 109.3 | 144.8 | -54 | 164.3 | -66.5 | -172 | -4.6 | 117.4 | D280 | D280-R282 PolarHBondContact OD1-N 3.02Š| ||
| 283 | F | 33.6 | Very low | 38.1 | Very low | 204 Ų | 204 | 142 Ų | 142 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | -162.1 | 155.1 | 89.5 | -120 | -89.7 | 0 | 0 | 0 | 111.5 | |||||
| 284 | S | 33.3 | Very low | 38.2 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 137.8 | -169.2 | -48.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 285 | D | 38.1 | Very low | 38.4 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -91.7 | 116 | 166.8 | 173.1 | 27 | 0 | 0 | 0 | 111.3 | R287 | D285-R287 PolarHBondContact O-N 3.01Š| ||
| 286 | P | 47.8 | Very low | 38.3 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -87.6 | 101.2 | 173.6 | 33.9 | -30.1 | 0 | 0 | 0 | 111.4 | M288 | P286-M288 PolarHBondContact O-N 3.37Š| ||
| 287 | R | 39.8 | Very low | 38.1 | Very low | 214 Ų | 214 | 150.4 Ų | 150.4 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -48.8 | 108.7 | 175.1 | -61.6 | 163.8 | 77.1 | 125.8 | -1.6 | 111.8 | D285 H289 | D285-R287 PolarHBondContact O-N 3.01Å; R287-H289 PolarHBondContact O-N 3.23Å | ||
| 288 | M | 41.6 | Very low | 38.2 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -69 | 113.9 | 176.8 | -75.3 | -64.9 | -69 | 0 | 0 | 111.5 | P286 | P286-M288 PolarHBondContact O-N 3.37Š| ||
| 289 | H | 38.2 | Very low | 38 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -81.3 | 134.7 | 167.7 | -84.4 | -110.8 | 0 | 0 | 0 | 110.7 | R287 | R287-H289 PolarHBondContact O-N 3.23Š| ||
| 290 | Y | 39.1 | Very low | 38.1 | Very low | 221 Ų | 221 | 148.3 Ų | 148.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -66.6 | 144 | 161.4 | -86.2 | -91.1 | 0 | 0 | 0 | 110 | ||||
| 291 | P | 44.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -146.2 | 171.9 | 103.7 | 40.2 | -27.1 | 0 | 0 | 0 | 114.8 | |||||
| 292 | G | 32.8 | Very low | 37.8 | Very low | 79 Ų | 79 | 147.7 Ų | 147.7 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 103.7 | 143.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 293 | A | 38.2 | Very low | 37.9 | Very low | 74 Ų | 74 | 144.6 Ų | 144.6 | 61% | 0.612 | 81% | 0.806 | S | S | * | * | trans | -144.6 | 161.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 294 | F | 38 | Very low | 37.9 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | 68.9 | 160.5 | 176 | -44.1 | -72 | 0 | 0 | 0 | 116.3 | ||||
| 295 | P | 40.3 | Very low | 38 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -124.8 | 176.5 | -25.8 | 27.5 | -7.6 | 0 | 0 | 0 | 113 | ||||
| 296 | Y | 37.3 | Very low | 37.9 | Very low | 238 Ų | 238 | 139.7 Ų | 139.7 | 93% | 0.933 | 81% | 0.805 | S | S | * | * | trans | -75.9 | 140.3 | 163.9 | -77.9 | -92.2 | 0 | 0 | 0 | 111.3 | ||||
| 297 | S | 30.4 | Very low | 37.2 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -140.1 | 137.2 | 159.7 | -84.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 298 | A | 41.1 | Very low | 37.1 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -107.3 | 152.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 299 | N | 32 | Very low | 36.8 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -154.3 | 164 | 160.2 | -151.8 | -2.1 | 0 | 0 | 0 | 112.5 | ||||
| 300 | T | 36.8 | Very low | 36.7 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | trans | -141.7 | 136.5 | -167.5 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 301 | S | 38.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -171.2 | 116.6 | 162.2 | 40 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 302 | S | 35.5 | Very low | 35.9 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | 88 | 141.1 | 90.1 | 79.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 303 | T | 38.7 | Very low | 36 | Very low | 138 Ų | 138 | 128 Ų | 128 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | cis | -159.2 | 146.4 | 18.3 | -37.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 304 | G | 33.5 | Very low | 35.9 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 94.9 | 149.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 305 | I | 35.1 | Very low | 35.9 | Very low | 161 Ų | 161 | 131 Ų | 131 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | cis | -150.9 | 143.8 | -9.6 | -40.2 | 174.7 | 0 | 0 | 0 | 109.5 | ||||
| 306 | S | 36.4 | Very low | 35.6 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | 65.6 | 133.1 | 165.8 | -64.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 307 | G | 33.6 | Very low | 35.6 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | -177.6 | -174.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 308 | L | 38 | Very low | 35.9 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 77.5 | 77 | 176.8 | -53 | -175.5 | 0 | 0 | 0 | 119.3 | ||||
| 309 | S | 34.2 | Very low | 36.3 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | 60.5 | 108.5 | 116.6 | -175.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 310 | M | 37 | Very low | 37 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | 54.9 | 141.2 | 127.1 | -52.2 | -51.3 | 164.8 | 0 | 0 | 121 | |||||
| 311 | S | 35.6 | Very low | 37.9 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | cis | -162.9 | 158.9 | 10.4 | -125.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 312 | T | 31.1 | Very low | 38.6 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 58 | 101.8 | 149.1 | 54.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 313 | S | 35.5 | Very low | 39.1 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | 80.2 | 109 | 108.8 | -149.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 314 | S | 34.8 | Very low | 39.1 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | 60.7 | 107 | 125.3 | -45.7 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 315 | R | 37.6 | Very low | 39.2 | Very low | 244 Ų | 244 | 146 Ų | 146 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | -174.6 | 168.5 | 99.5 | -101.7 | 176.4 | -73.4 | -162.7 | 1.8 | 112.9 | |||||
| 316 | Y | 35.6 | Very low | 39.2 | Very low | 211 Ų | 211 | 144.5 Ų | 144.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -58.9 | 150.1 | 176.2 | -57.6 | -96.5 | 0 | 0 | 0 | 113 | ||||
| 317 | H | 36.5 | Very low | 39 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | -177 | 167 | 115.1 | -97.3 | -61.8 | 0 | 0 | 0 | 114.7 | |||||
| 318 | T | 37 | Very low | 39.1 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 157.1 | -175.8 | -49.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 319 | Y | 48.5 | Very low | 39 | Very low | 225 Ų | 225 | 147.1 Ų | 147.1 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -31.9 | 131.6 | 169.8 | -67.9 | -93.7 | 0 | 0 | 0 | 116.7 | ||||
| 320 | L | 47.9 | Very low | 38.8 | Very low | 162 Ų | 162 | 150 Ų | 150 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -153.6 | 142.5 | 152.4 | -97.4 | 129.6 | 0 | 0 | 0 | 109.7 | ||||
| 321 | P | 54.8 | Low | 38.6 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 157.6 | 170.4 | 32.9 | -34.7 | 0 | 0 | 0 | 111.8 | ||
| 322 | P | 53.3 | Low | 38.4 | Very low | 113 Ų | 113 | 150 Ų | 150 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 150.3 | -179.8 | 30.2 | -35.5 | 0 | 0 | 0 | 112.7 | ||
| 323 | P | 47.2 | Very low | 38.4 | Very low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 146.9 | 177.8 | 32.5 | -35 | 0 | 0 | 0 | 112.2 | ||
| 324 | Y | 39 | Very low | 38.1 | Very low | 234 Ų | 234 | 151.5 Ų | 151.5 | 92% | 0.918 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 131.7 | 166.9 | -74.5 | -87.1 | 0 | 0 | 0 | 110.5 | ||
| 325 | S | 35 | Very low | 37.8 | Very low | 124 Ų | 124 | 154 Ų | 154 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 128.9 | 171.6 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 326 | N | 34 | Very low | 37.8 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -107.9 | 135 | 174.7 | -179.3 | 16.6 | 0 | 0 | 0 | 109 | ||||
| 327 | N | 33.2 | Very low | 37.6 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -129.1 | 118.7 | 174.6 | -139.6 | -8.2 | 0 | 0 | 0 | 109.3 | ||||
| 328 | Q | 35.3 | Very low | 37.9 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -82.4 | 167.3 | -179.8 | -48.6 | 176.8 | -16 | 0 | 0 | 109.3 | ||||
| 329 | S | 35.7 | Very low | 37.5 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | cis | -152.6 | 172.9 | 3.8 | 64.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 330 | Q | 31 | Very low | 36.8 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -138.4 | -170.3 | 6.5 | -43.2 | 173.6 | 7.4 | 0 | 0 | 107.4 | ||||
| 331 | N | 32.1 | Very low | 35.9 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 56% | 0.561 | 78% | 0.777 | S | S | * | * | cis | -157.5 | -171.4 | -12.5 | -129.5 | -28.5 | 0 | 0 | 0 | 105.5 | ||||
| 332 | F | 30.4 | Very low | 35.2 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | cis | -151.2 | 165.4 | 3.3 | -125.9 | -37.4 | 0 | 0 | 0 | 110 | S334 | F332-S334 PolarHBondContact O-N 3.46Š| ||
| 333 | Q | 31.5 | Very low | 34.3 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 16.6 | 88.7 | 155.6 | -74.2 | 169.5 | -11.9 | 0 | 0 | 120.1 | ||||
| 334 | S | 30.3 | Very low | 33.8 | Very low | 93 Ų | 93 | 149 Ų | 149 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | 12.8 | 131.8 | 116.9 | -174.7 | 0 | 0 | 0 | 0 | 118.8 | F332 | F332-S334 PolarHBondContact O-N 3.46Š| |||
| 335 | N | 28.6 | Very low | 33.5 | Very low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | -165 | 155.5 | 106.5 | -92.7 | -13.8 | 0 | 0 | 0 | 113.1 | |||||
| 336 | S | 36.3 | Very low | 33.6 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -142.4 | 144 | -176 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 337 | Y | 31.2 | Very low | 33.6 | Very low | 225 Ų | 225 | 143.1 Ų | 143.1 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -145.5 | 135.4 | 167.5 | -81.3 | -72.1 | 0 | 0 | 0 | 111.3 | ||||
| 338 | L | 43.3 | Very low | 33.5 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -100.4 | 144.8 | 163.4 | -79.8 | 164.9 | 0 | 0 | 0 | 108.4 | ||||
| 339 | Y | 28.7 | Very low | 33.3 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -150 | 147.1 | 161.9 | -133.4 | -96.3 | 0 | 0 | 0 | 112.1 | ||||
| 340 | Y | 33.5 | Very low | 33.1 | Very low | 229 Ų | 229 | 146.2 Ų | 146.2 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -84.1 | 153 | 172.5 | -95.6 | -108.5 | 0 | 0 | 0 | 110.6 | ||||
| 341 | G | 29.1 | Very low | 33.6 | Very low | 75 Ų | 75 | 147.4 Ų | 147.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -170.8 | 144.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 342 | T | 39.8 | Very low | 33.8 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -131.3 | 142.5 | -175.5 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 343 | G | 34.3 | Very low | 34.1 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 158.1 | 134.6 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 344 | S | 38.2 | Very low | 34.7 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | cis | 97.4 | 126.5 | 27.9 | -165.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 345 | G | 32.8 | Very low | 34.8 | Very low | 67 Ų | 67 | 143.7 Ų | 143.7 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | trans | 87.5 | 128.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 346 | S | 36.3 | Very low | 35.1 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 72% | 0.72 | 83% | 0.828 | S | S | * | * | cis | 103.7 | 122.4 | 6.3 | 93.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 347 | Y | 33.6 | Very low | 35.1 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 77% | 0.765 | 84% | 0.835 | S | S | * | * | trans | 64.8 | 159.5 | 176.6 | -65 | -89.4 | 0 | 0 | 0 | 115.4 | F349 | Y347-F349 HydrophobicContact CD1-CD2 4.06Å; Y347-F349 AromaticContact CD1-CE2 3.83Å; Y347-F349 HydrophobicContact CD1-CE2 3.83Å; Y347-F349 HydrophobicContact CE1-CD2 4.32Å; Y347-F349 AromaticContact CE1-CE2 3.74Å; Y347-F349 HydrophobicContact CE1-CE2 3.74Å | ||
| 348 | Q | 31.9 | Very low | 35.1 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | cis | -124.2 | 171.9 | 16.1 | -62.4 | 179.4 | -76.1 | 0 | 0 | 115 | ||||
| 349 | F | 30.6 | Very low | 34.8 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 77% | 0.772 | 83% | 0.834 | S | S | * | * | trans | -101.2 | 150.8 | 170.4 | -58.9 | -105.7 | 0 | 0 | 0 | 110.1 | Y347 | Y347-F349 HydrophobicContact CD1-CD2 4.06Å; Y347-F349 AromaticContact CD1-CE2 3.83Å; Y347-F349 HydrophobicContact CD1-CE2 3.83Å; Y347-F349 HydrophobicContact CE1-CD2 4.32Å; Y347-F349 AromaticContact CE1-CE2 3.74Å; Y347-F349 HydrophobicContact CE1-CE2 3.74Å | ||
| 350 | S | 32.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -122 | 128.6 | 164.4 | -77.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 351 | M | 40.1 | Very low | 35.2 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -101.7 | 133.6 | 171.8 | -64.2 | -165.7 | -62.8 | 0 | 0 | 110.3 | ||||
| 352 | V | 37 | Very low | 35.7 | Very low | 142 Ų | 142 | 133 Ų | 133 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -136.6 | 131.7 | 162.9 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 353 | A | 36.8 | Very low | 35.9 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -86.2 | 158.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 354 | P | 43 | Very low | 35.9 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -82.1 | 145.1 | -164.3 | 31.9 | -35.9 | 0 | 0 | 0 | 114.5 | ||||
| 355 | G | 32.6 | Very low | 36 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -107.8 | 142.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 356 | N | 36.1 | Very low | 36.2 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -62.3 | 133.2 | -178.8 | -118.2 | 5.1 | 0 | 0 | 0 | 112.9 | ||||
| 357 | T | 35.2 | Very low | 36.5 | Very low | 137 Ų | 137 | 147 Ų | 147 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | 165 | 127 | 116.1 | 43.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 358 | G | 32.7 | Very low | 36.2 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | trans | 79.3 | 141.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 359 | G | 37.2 | Very low | 36.1 | Very low | 81 Ų | 81 | 139.7 Ų | 139.7 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | cis | -179.7 | -10.2 | -2.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 360 | E | 34.3 | Very low | 36.3 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 72% | 0.72 | 83% | 0.834 | S | S | * | * | trans | -155.8 | 152.7 | -178.2 | 59.7 | -176.2 | 116.2 | 0 | 0 | 118 | ||||
| 361 | R | 35.5 | Very low | 36.1 | Very low | 220 Ų | 220 | 135.4 Ų | 135.4 | 83% | 0.83 | 83% | 0.834 | S | S | * | * | trans | 63.3 | 105.7 | 160.9 | -63.8 | 162.9 | -161.2 | -92.3 | -1.9 | 119.1 | ||||
| 362 | S | 38.5 | Very low | 35.8 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -105.5 | 167.5 | 145.1 | -52.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 363 | P | 45.8 | Very low | 35.5 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | -134.5 | 152.2 | 88.4 | 37.9 | -27.8 | 0 | 0 | 0 | 114.9 | |||||
| 364 | T | 34.5 | Very low | 35.3 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 77% | 0.767 | 83% | 0.832 | S | S | * | * | trans | -82.8 | 142.2 | -172 | -32.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 365 | R | 38.4 | Very low | 34.9 | Very low | 239 Ų | 239 | 131.8 Ų | 131.8 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -95.9 | 127.7 | 149 | -76.8 | -176.7 | 177.8 | -117.1 | 1.9 | 108.4 | ||||
| 366 | L | 37.9 | Very low | 34.8 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -166.2 | 153.1 | 142.8 | -110.4 | 171.6 | 0 | 0 | 0 | 111 | ||||
| 367 | L | 41.3 | Very low | 34.6 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | trans | -82.1 | 157.8 | 163.4 | -79.3 | 63.9 | 0 | 0 | 0 | 108.4 | ||||
| 368 | S | 28.4 | Very low | 34.7 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -140.1 | 159 | 156 | -159.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 369 | C | 30.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 72% | 0.723 | 83% | 0.827 | S | S | * | * | trans | -137 | 158.9 | -172.4 | 58.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 370 | S | 34.3 | Very low | 34.8 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | 69.9 | 132.6 | 166.3 | -51.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 371 | G | 28.9 | Very low | 34.9 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | trans | 150.4 | 115.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 372 | A | 33.3 | Very low | 35 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -119.1 | 129.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 373 | T | 30.9 | Very low | 34.7 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 93% | 0.926 | 84% | 0.842 | S | S | * | * | trans | -167 | 153.8 | 158.3 | 25.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 374 | G | 31.8 | Very low | 34.8 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | cis | 132.3 | 92.9 | 15 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 375 | T | 34.4 | Very low | 34.7 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 95% | 0.951 | 84% | 0.836 | S | S | * | * | trans | -93.8 | 124.7 | -165.9 | 29.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 376 | G | 31.5 | Very low | 34.6 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | trans | 170.4 | 150.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 377 | G | 31.2 | Very low | 34.3 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | 121.1 | 94.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 378 | T | 36.6 | Very low | 33.9 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -72.7 | 151.3 | 174.6 | 47.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 379 | N | 32 | Very low | 34.1 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | trans | 151.5 | 124.3 | 134.4 | -73.8 | -20.4 | 0 | 0 | 0 | 109.9 | ||||
| 380 | S | 40.1 | Very low | 34.3 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | cis | 85.8 | 95.4 | 44.4 | -61.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 381 | L | 37.2 | Very low | 34.1 | Very low | 183 Ų | 183 | 130 Ų | 130 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | -141.1 | 152 | 158.3 | -78 | 179.7 | 0 | 0 | 0 | 109.5 | ||||
| 382 | M | 37.2 | Very low | 34.3 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -112.9 | 161.8 | -169.6 | -65.4 | -172.2 | 177.7 | 0 | 0 | 113.7 | ||||
| 383 | N | 32.8 | Very low | 34.6 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -158.3 | 163.6 | 134.9 | -110.8 | -2.8 | 0 | 0 | 0 | 111.5 | ||||
| 384 | P | 47.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -131 | 175.5 | -150.9 | 43.4 | -29 | 0 | 0 | 0 | 116.9 | ||||
| 385 | G | 31.6 | Very low | 35.3 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | 89.3 | 151.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 386 | L | 37.8 | Very low | 35.3 | Very low | 189 Ų | 189 | 135 Ų | 135 | 99% | 0.99 | 82% | 0.821 | S | S | * | * | cis | -134.9 | -176.8 | 6 | -84.2 | 168.1 | 0 | 0 | 0 | 111.8 | ||||
| 387 | N | 31 | Very low | 35.4 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | trans | -134.1 | 127.4 | -163.2 | 165.1 | 59.1 | 0 | 0 | 0 | 114.4 | ||||
| 388 | T | 34 | Very low | 35.7 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -160.3 | 126.7 | 161.5 | 39.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 389 | Q | 32.4 | Very low | 35.7 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | 56.8 | 132.6 | 79.9 | -66.5 | -177.2 | -8 | 0 | 0 | 114 | |||||
| 390 | S | 33.5 | Very low | 36 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | cis | -171.2 | 145.6 | -3.1 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 391 | E | 30.9 | Very low | 35.7 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | 63.1 | 134.9 | 141.4 | -155.4 | 167.1 | 164.9 | 0 | 0 | 123 | ||||
| 392 | G | 32.2 | Very low | 35.5 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 88.2 | 151.2 | 170 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 393 | V | 39.4 | Very low | 35.9 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | cis | -147 | 165.5 | -6.5 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 394 | E | 37 | Very low | 36.2 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -62.1 | 147 | -177 | -53.8 | -177.8 | 118.8 | 0 | 0 | 116.2 | ||||
| 395 | A | 40.1 | Very low | 35.6 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -162.6 | 143.5 | 141.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 396 | D | 35.1 | Very low | 35.8 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -34.5 | 159.1 | 173.8 | -150.6 | -17.2 | 0 | 0 | 0 | 119.2 | ||||
| 397 | G | 34.6 | Very low | 35.8 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | 162.1 | 59.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 398 | S | 35.9 | Very low | 35.9 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 59% | 0.587 | 81% | 0.809 | S | S | * | * | trans | -51.3 | 158.6 | -176.6 | -64 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 399 | H | 36.8 | Very low | 36.1 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | 78.2 | 133.3 | 162.1 | -41.6 | -57.3 | 0 | 0 | 0 | 117.6 | ||||
| 400 | S | 38.6 | Very low | 36.2 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | cis | -166.6 | 160.9 | 48.6 | 46.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 401 | N | 33.7 | Very low | 36.7 | Very low | 166 Ų | 166 | 134 Ų | 134 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -85.2 | 142.9 | 179.2 | -81.1 | -19.5 | 0 | 0 | 0 | 113.1 | ||||
| 402 | S | 33.9 | Very low | 37.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | -124.9 | 115.1 | 165.3 | -71.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 403 | P | 46 | Very low | 37.7 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 122.3 | 178.1 | 31.1 | -32 | 0 | 0 | 0 | 111.5 | ||
| 404 | T | 38.3 | Very low | 37.6 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 130.1 | 171.3 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | M406 | T404-M406 PolarHBondContact O-N 3.41Š|
| 405 | A | 34.5 | Very low | 38 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 123 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 406 | M | 36.9 | Very low | 38 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -103 | 131.2 | 171.1 | -79.1 | -67.6 | -73.4 | 0 | 0 | 110.5 | T404 | T404-M406 PolarHBondContact O-N 3.41Š|
| 407 | S | 36.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 136.3 | 179.3 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 408 | A | 33.9 | Very low | 38.7 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -147.5 | 136.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 409 | S | 39.1 | Very low | 39.9 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 94% | 0.944 | 83% | 0.825 | S | S | * | * | trans | -87.2 | 134.5 | 178.7 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 410 | G | 34.5 | Very low | 40.4 | Very low | 81 Ų | 81 | 150.7 Ų | 150.7 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | -142.1 | 115.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 411 | R | 42.3 | Very low | 40.5 | Very low | 245 Ų | 245 | 152.7 Ų | 152.7 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | -113.5 | 103.5 | -179.7 | 173.9 | -166.6 | 179.5 | -175.8 | 1 | 108.6 | ||||
| 412 | L | 44.1 | Very low | 40.9 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 94% | 0.937 | 84% | 0.839 | S | S | * | * | trans | -135 | 148.8 | 168.6 | -71.7 | 176.6 | 0 | 0 | 0 | 110.2 | ||||
| 413 | D | 40.9 | Very low | 41.3 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 75% | 0.749 | 84% | 0.842 | S | S | * | * | trans | -104.3 | 135 | 175.4 | -175 | -68.8 | 0 | 0 | 0 | 107.4 | ||||
| 414 | E | 36.3 | Very low | 41 | Very low | 191 Ų | 191 | 155.5 Ų | 155.5 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | -154.9 | 162.6 | 148 | -138 | 172.4 | 106.2 | 0 | 0 | 111.4 | ||||
| 415 | S | 46.3 | Very low | 41.2 | Very low | 85 Ų | 85 | 157 Ų | 157 | 59% | 0.594 | 84% | 0.844 | S | S | * | * | trans | -124.2 | -177.4 | -171.2 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 416 | V | 39 | Very low | 41.6 | Very low | 118 Ų | 118 | 160.8 Ų | 160.8 | 72% | 0.715 | 85% | 0.845 | S | S | * | * | trans | 67.6 | 111.1 | 164.7 | -137.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 417 | W | 41.3 | Very low | 41.9 | Very low | 211 Ų | 211 | 159.7 Ų | 159.7 | 80% | 0.799 | 84% | 0.844 | S | S | * | * | -168.4 | 162.9 | 76.5 | -102.6 | 89 | 0 | 0 | 0 | 113 | |||||
| 418 | R | 44 | Very low | 42.4 | Very low | 217 Ų | 217 | 162.9 Ų | 162.9 | 82% | 0.819 | 85% | 0.845 | S | S | * | * | trans | -129.4 | 135.1 | 159.7 | -78.1 | -175 | 170.4 | -142.6 | -0.1 | 109.1 | ||||
| 419 | P | 61.1 | Low | 43.1 | Very low | 122 Ų | 122 | 168.1 Ų | 168.1 | 79% | 0.792 | 85% | 0.846 | S | S | * | * | trans | -67.8 | 162.3 | 161 | 32 | -33.4 | 0 | 0 | 0 | 110.7 | ||||
| 420 | Y | 48 | Very low | 43.4 | Very low | 293 Ų | 293 | 171.1 Ų | 171.1 | 100% | 1.149 | 84% | 0.837 | S | S | * | * | trans | -60.5 | 0 | -173.5 | -67.6 | -92.9 | 0 | 0 | 0 | 114.3 |
Retrieved 420 of 420 residues in 271 ms
(Link to these results)