| 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 | 35.3 | Very low | 35.1 | Very low | 230 Ų | 230 | 135.1 Ų | 135.1 | 100% | 1.133 | 79% | 0.789 | S | S | * | * | 0 | 129.4 | 0 | -63.7 | 73.3 | 162.8 | 0 | 0 | 106.7 | |||||
| 2 | T | 34.1 | Very low | 35.2 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | cis | -148.4 | 158.2 | -5.4 | -66.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | R | 27.4 | Very low | 35.1 | Very low | 208 Ų | 208 | 131.5 Ų | 131.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -72.8 | 162.7 | 178.9 | -56.9 | 179.4 | -173.9 | 167 | 1.7 | 110.5 | ||||
| 4 | I | 35.7 | Very low | 35.1 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | -166.9 | 130.5 | 78.9 | -77.4 | 144.8 | 0 | 0 | 0 | 105.9 | |||||
| 5 | N | 35.8 | Very low | 35 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | cis | 81.1 | 129 | 46.3 | -84.5 | 46 | 0 | 0 | 0 | 115.9 | ||||
| 6 | G | 35.7 | Very low | 34.9 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | 111.8 | 105.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 7 | S | 36.2 | Very low | 35 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | cis | 72.6 | 134.4 | 29.6 | 110.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 8 | D | 37.1 | Very low | 35 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | cis | -146.5 | 172.1 | 15.2 | -98.5 | -55.1 | 0 | 0 | 0 | 115.2 | ||||
| 9 | T | 37.7 | Very low | 34.9 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 10.2 | 146.4 | 155.2 | 62.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 10 | G | 34.7 | Very low | 34.8 | Very low | 61 Ų | 61 | 137.6 Ų | 137.6 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | 148.2 | -172.5 | 4.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 11 | S | 36.3 | Very low | 34.7 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 60.5 | 119.1 | 177.7 | 40.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 12 | D | 35.8 | Very low | 34.5 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | 79.5 | 137.2 | 59.7 | -74.4 | -52.1 | 0 | 0 | 0 | 113.8 | |||||
| 13 | S | 34.5 | Very low | 34.4 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 53% | 0.531 | 75% | 0.748 | S | S | . | * | cis | -173.2 | 162.8 | -12 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 14 | R | 34.7 | Very low | 34.8 | Very low | 230 Ų | 230 | 133.1 Ų | 133.1 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | trans | 66.9 | 156.7 | 146.9 | -72.4 | 159.8 | -168.8 | 179.9 | 3.7 | 118.3 | ||||
| 15 | S | 33.7 | Very low | 34.4 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | cis | -173.1 | 164.6 | -15.8 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 16 | S | 33.5 | Very low | 34.1 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | trans | 77.5 | 139 | 158.9 | -66.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 17 | K | 36.8 | Very low | 33.6 | Very low | 188 Ų | 188 | 131 Ų | 131 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | cis | -153.5 | 150.9 | 0.5 | -105 | 151.2 | -169.2 | 179.4 | 0 | 110.3 | ||||
| 18 | D | 34.2 | Very low | 33.3 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | trans | -77 | 174.5 | 173.6 | -43.8 | -92.8 | 0 | 0 | 0 | 112.3 | ||||
| 19 | P | 34 | Very low | 32.8 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | -141.6 | 149.7 | 78.5 | 38.3 | -22.4 | 0 | 0 | 0 | 117.3 | |||||
| 20 | E | 32.1 | Very low | 32.4 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | 37.3 | 113.6 | 141.1 | -57.4 | -178.3 | 123 | 0 | 0 | 121.1 | ||||
| 21 | K | 32.4 | Very low | 31.9 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | -130 | 110.5 | 137.8 | -85.2 | -166 | 174.6 | -176.8 | 0 | 110.9 | Y23 | K21-Y23 HydrophobicContact CB-CE2 4.49Š| ||
| 22 | V | 32.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 123.1 | 174.3 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 23 | Y | 31.7 | Very low | 31.1 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 118.9 | 169 | -82.1 | -90.3 | 0 | 0 | 0 | 110 | K21 | K21-Y23 HydrophobicContact CB-CE2 4.49Š|
| 24 | P | 35.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 147 Ų | 147 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 137.4 | 176.4 | 30.9 | -33.4 | 0 | 0 | 0 | 111.5 | S26 | P24-S26 PolarHBondContact O-N 2.98Å; P24-S26 VanDerWaalsContact O-N 3.1Å |
| 25 | A | 28.1 | Very low | 30.6 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | -75.3 | 96.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I27 | A25-I27 PolarHBondContact O-N 3Å; A25-I27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | S | 29 | Very low | 30.4 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | -82.5 | 87.4 | 180 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | P24 Y28 | P24-S26 PolarHBondContact O-N 2.98Å; P24-S26 VanDerWaalsContact O-N 3.1Å; S26-Y28 PolarHBondContact O-N 2.76Å; S26-Y28 VanDerWaalsContact O-N 3.14Å | ||
| 27 | I | 26 | Very low | 30.2 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -72.7 | 99.3 | 173.6 | -60.9 | 170.6 | 0 | 0 | 0 | 109.6 | A25 | A25-I27 PolarHBondContact O-N 3Å; A25-I27 VanDerWaalsContact O-N 3.16Å | ||
| 28 | Y | 29.2 | Very low | 29.8 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | trans | -94.7 | 99.2 | 175 | -82 | -74.5 | 0 | 0 | 0 | 112.4 | S26 Y30 | S26-Y28 PolarHBondContact O-N 2.76Å; S26-Y28 VanDerWaalsContact O-N 3.14Å; Y28-Y30 PolarHBondContact O-N 2.93Å | ||
| 29 | H | 27.3 | Very low | 29.4 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | trans | -74.7 | 99.8 | 167.7 | -84.6 | 50.4 | 0 | 0 | 0 | 110.8 | Q31 | H29-Q31 VanDerWaalsContact C-N 3.33Å; H29-Q31 PolarHBondContact O-N 3.44Å | ||
| 30 | Y | 28.5 | Very low | 29.2 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -77.7 | 82.9 | 166.2 | -93.1 | -86.6 | 0 | 0 | 0 | 111.3 | Y28 | Y28-Y30 PolarHBondContact O-N 2.93Š| ||
| 31 | Q | 25.2 | Very low | 29.1 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -75.3 | 160.2 | 156.7 | -69.4 | -178.4 | -16.4 | 0 | 0 | 110 | H29 | H29-Q31 VanDerWaalsContact C-N 3.33Å; H29-Q31 PolarHBondContact O-N 3.44Å | ||
| 32 | N | 26.3 | Very low | 29 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | 71.6 | 56.3 | 175 | -52.2 | -23.9 | 0 | 0 | 0 | 117.1 | ||||
| 33 | A | 27.8 | Very low | 28.7 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -119.2 | 108.9 | 150 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 34 | H | 29.3 | Very low | 28.6 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | trans | -79.2 | 130.4 | 178 | -75.1 | -84.2 | 0 | 0 | 0 | 110.6 | I36 | H34-I36 PolarHBondContact O-N 3.05Š| ||
| 35 | P | 31.3 | Very low | 28.5 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 55% | 0.552 | 75% | 0.75 | S | S | * | * | trans | -69.7 | 129.9 | 170 | 29.4 | -32.7 | 0 | 0 | 0 | 109.8 | T37 | P35-T37 PolarHBondContact O-N 2.92Š| ||
| 36 | I | 27.9 | Very low | 28.6 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | -78.3 | 106.6 | 170.8 | -61.4 | 175.1 | 0 | 0 | 0 | 107.4 | H34 L38 | H34-I36 PolarHBondContact O-N 3.05Å; I36-L38 PolarHBondContact O-N 3.32Å | ||
| 37 | T | 29.2 | Very low | 28.8 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | trans | -68.4 | 128 | -179.9 | -41.9 | 0 | 0 | 0 | 0 | 110.6 | P35 G39 | P35-T37 PolarHBondContact O-N 2.92Å; T37-G39 PolarHBondContact O-N 3.38Å | ||
| 38 | L | 28.8 | Very low | 29 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -78.3 | 51.2 | -171 | -154.5 | 110.3 | 0 | 0 | 0 | 113.5 | I36 | I36-L38 PolarHBondContact O-N 3.32Š|
| 39 | G | 27.2 | Very low | 29.1 | Very low | 71 Ų | 71 | 154.6 Ų | 154.6 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -135.6 | 21.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T37 | T37-G39 PolarHBondContact O-N 3.38Š| ||
| 40 | S | 28.8 | Very low | 29.3 | Very low | 80 Ų | 80 | 150.8 Ų | 150.8 | 56% | 0.559 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -125.4 | 9.6 | -170.2 | 55 | 0 | 0 | 0 | 0 | 115.4 | ||
| 41 | F | 30.1 | Very low | 29.6 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -133 | 8.8 | -172.4 | -82.5 | -79 | 0 | 0 | 0 | 115.9 | ||
| 42 | I | 29.2 | Very low | 30 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | trans | -121.4 | 87.8 | 177.2 | -53.3 | 177.3 | 0 | 0 | 0 | 109.7 | ||||
| 43 | D | 27 | Very low | 30.3 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | 179.8 | 119 | 148.3 | -104.2 | -26.1 | 0 | 0 | 0 | 110.9 | ||||
| 44 | D | 28.5 | Very low | 30.5 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 180 | -16 | 140.6 | -127.2 | -14.6 | 0 | 0 | 0 | 114.8 | ||
| 45 | Q | 33.2 | Very low | 30.8 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -113.5 | -9.2 | -166.4 | -70.1 | -61 | -42.6 | 0 | 0 | 117.7 | ||
| 46 | F | 30.3 | Very low | 31 | Very low | 198 Ų | 198 | 154.2 Ų | 154.2 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -116.4 | 11 | -165.5 | -96.5 | -86.8 | 0 | 0 | 0 | 118.4 | ||
| 47 | F | 33.4 | Very low | 31.2 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -129.1 | 65.9 | 175.9 | -90 | -76.7 | 0 | 0 | 0 | 115 | ||||
| 48 | K | 30.4 | Very low | 31.6 | Very low | 202 Ų | 202 | 155.7 Ų | 155.7 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | trans | -136.9 | 69.5 | 168.9 | -78.2 | -177.5 | -179.8 | 157.6 | 0 | 113.9 | ||||
| 49 | K | 31.8 | Very low | 32 | Very low | 218 Ų | 218 | 155.2 Ų | 155.2 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | trans | -160.4 | 122.1 | 159 | -113 | 164.2 | -172.8 | 175.9 | 0 | 113 | ||||
| 50 | G | 30.7 | Very low | 32.4 | Very low | 72 Ų | 72 | 158 Ų | 158 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 84.8 | 93.7 | 153 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 51 | K | 35 | Very low | 32.6 | Very low | 216 Ų | 216 | 160.1 Ų | 160.1 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | -173.7 | 150.3 | 101.4 | -95.9 | 163.5 | -176.3 | 176.9 | 0 | 111.2 | |||||
| 52 | Q | 34.1 | Very low | 32.8 | Very low | 171 Ų | 171 | 158.2 Ų | 158.2 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -112.4 | 159.3 | 177.5 | -65.6 | 178.5 | -70.3 | 0 | 0 | 110.5 | ||||
| 53 | N | 32.6 | Very low | 33.1 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | 67.7 | 149.8 | 161.2 | -55.7 | -23.7 | 0 | 0 | 0 | 116.7 | ||||
| 54 | S | 32 | Very low | 33.7 | Very low | 116 Ų | 116 | 157.3 Ų | 157.3 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | cis | -167.5 | 142.7 | -23 | 50.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 55 | G | 35 | Very low | 34 | Very low | 77 Ų | 77 | 155.7 Ų | 155.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -171.7 | 152.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 56 | K | 35.2 | Very low | 34.2 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -132.1 | 159 | -173 | -68.8 | -179.4 | 179.8 | 175.4 | 0 | 112.4 | ||||
| 57 | S | 33.7 | Very low | 34.4 | Very low | 109 Ų | 109 | 152.1 Ų | 152.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 73.9 | 154.5 | 167.2 | -53.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 58 | Q | 37.7 | Very low | 34.6 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | cis | -134.3 | -169.1 | 6.3 | -153 | 139.3 | -48.6 | 0 | 0 | 112.9 | ||||
| 59 | K | 36.1 | Very low | 34.9 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 124.2 | -152.6 | 174.4 | -156.2 | 175.1 | -165.5 | 0 | 113.8 | ||||
| 60 | V | 35 | Very low | 35.2 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -148.2 | 113.8 | 161.2 | -156.4 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 61 | M | 33.5 | Very low | 35.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 62% | 0.616 | 79% | 0.786 | S | S | * | * | 54.4 | 129.1 | 77.9 | -61.8 | -176.1 | -58.8 | 0 | 0 | 113.6 | |||||
| 62 | E | 34.7 | Very low | 36 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | cis | -160.4 | 179.5 | -11.7 | -120.6 | 179.5 | 52.6 | 0 | 0 | 107.3 | ||||
| 63 | Q | 35.2 | Very low | 36.2 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | cis | -139.7 | -113 | 12.8 | -161.3 | 168.6 | 86.7 | 0 | 0 | 112.9 | ||||
| 64 | Q | 39.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -169.6 | 173.4 | -175.7 | -117.5 | 172.9 | 100.6 | 0 | 0 | 108.9 | ||||
| 65 | P | 35.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | cis | -138.9 | -174.2 | 41.7 | 47.1 | -28.9 | 0 | 0 | 0 | 113.7 | ||||
| 66 | S | 36.2 | Very low | 37.2 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | cis | -138.8 | 135 | 3.7 | -53.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 67 | K | 34.5 | Very low | 37.5 | Very low | 184 Ų | 184 | 149.8 Ų | 149.8 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 121.8 | 177.4 | -76.4 | -172.7 | 174.6 | -177.6 | 0 | 113.4 | ||
| 68 | I | 37.9 | Very low | 37.8 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.1 | 161.4 | -61.2 | 174.8 | 0 | 0 | 0 | 108.4 | P70 | I68-P70 WeakPolarHBondContact O-CD 3.32Š|
| 69 | K | 37.6 | Very low | 37.8 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 125.4 | 178 | -65.9 | 178.2 | -179 | 175.6 | 0 | 110.3 | ||
| 70 | P | 36.5 | Very low | 37.9 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 140.2 | 164.7 | -17.7 | 31.7 | 0 | 0 | 0 | 110.2 | I68 | I68-P70 WeakPolarHBondContact O-CD 3.32Š|
| 71 | M | 37.8 | Very low | 37.9 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 150.3 | 166.5 | -79 | 173.7 | 59.4 | 0 | 0 | 110.2 | ||
| 72 | K | 44.7 | Very low | 38.1 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 136.2 | 168.3 | -68.2 | -176.1 | 177.2 | -176 | 0 | 109 | S74 | K72-S74 PolarHBondContact O-N 2.83Š|
| 73 | P | 39.9 | Very low | 38.2 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 132.7 | 162.5 | -21.7 | 33.5 | 0 | 0 | 0 | 109.4 | ||
| 74 | S | 35.4 | Very low | 38 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 146.9 | 167.2 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | K72 | K72-S74 PolarHBondContact O-N 2.83Š|
| 75 | E | 43.3 | Very low | 37.9 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141.3 | -180 | -65 | 171.4 | 168.6 | 0 | 0 | 111.4 | M77 | E75-M77 PolarHBondContact O-N 3.29Š|
| 76 | P | 41.9 | Very low | 37.5 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130 | 175 | 28.1 | -33.4 | 0 | 0 | 0 | 109.3 | N78 | P76-N78 PolarHBondContact O-N 2.88Š|
| 77 | M | 39.9 | Very low | 37.3 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.7 | 172.2 | -79.2 | -173.6 | 166.3 | 0 | 0 | 110 | E75 | E75-M77 PolarHBondContact O-N 3.29Š|
| 78 | N | 40.2 | Very low | 37.2 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133.4 | 175.8 | -78.6 | -47.1 | 0 | 0 | 0 | 110.4 | P76 I80 | P76-N78 PolarHBondContact O-N 2.88Å; N78-I80 PolarHBondContact O-N 3.42Å |
| 79 | P | 38.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132.3 | 172.6 | 26.9 | -33.3 | 0 | 0 | 0 | 109.6 | Q81 | P79-Q81 PolarHBondContact O-N 3.1Š|
| 80 | I | 37.2 | Very low | 36.4 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 86% | 0.862 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 132.6 | 175.3 | -62.5 | 173.5 | 0 | 0 | 0 | 108.1 | N78 | N78-I80 PolarHBondContact O-N 3.42Š|
| 81 | Q | 35.1 | Very low | 36.3 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135.7 | -176.3 | -63.3 | -179.6 | 9.9 | 0 | 0 | 110.9 | P79 V83 | P79-Q81 PolarHBondContact O-N 3.1Å; Q81-V83 PolarHBondContact O-N 3.03Å |
| 82 | P | 38.4 | Very low | 36.1 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 131.5 | 174.1 | 28.2 | -33.8 | 0 | 0 | 0 | 110 | ||
| 83 | V | 37.1 | Very low | 35.7 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 128.5 | 179.4 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | Q81 L85 | Q81-V83 PolarHBondContact O-N 3.03Å; V83-L85 PolarHBondContact O-N 3.4Å; V83-L85 VanDerWaalsContact O-N 3.16Å |
| 84 | N | 30.9 | Very low | 35.5 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -59.1 | 114.4 | -175.5 | -78.3 | -50.7 | 0 | 0 | 0 | 113.4 | ||||
| 85 | L | 37.3 | Very low | 35.5 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -92.2 | 120.5 | 154.3 | -74.3 | 171.6 | 0 | 0 | 0 | 108.5 | V83 G87 | V83-L85 PolarHBondContact O-N 3.4Å; V83-L85 VanDerWaalsContact O-N 3.16Å; L85-G87 PolarHBondContact O-N 3.29Å | ||
| 86 | K | 27.9 | Very low | 35.2 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -76.7 | 120.1 | -177.5 | -76 | -176.4 | 176.5 | 179.7 | 0 | 111 | ||||
| 87 | G | 31.4 | Very low | 34.8 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 92.8 | 108.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | L85 | L85-G87 PolarHBondContact O-N 3.29Š| ||
| 88 | Q | 31.7 | Very low | 34.4 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | -166.6 | 125.6 | 109.5 | -101.4 | 171.8 | 3.9 | 0 | 0 | 112 | |||||
| 89 | I | 31.4 | Very low | 34.2 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | 34 | 128.1 | 143.9 | -46.9 | 179.9 | 0 | 0 | 0 | 119.7 | ||||
| 90 | N | 28.6 | Very low | 33.8 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.5 | 179.2 | -52.6 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 91 | P | 34.2 | Very low | 33.8 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 141.4 | 158.5 | 31.8 | -31.8 | 0 | 0 | 0 | 111 | ||
| 92 | I | 33.7 | Very low | 33.5 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 141 | 179.5 | -64.3 | 170.2 | 0 | 0 | 0 | 110.1 | ||
| 93 | G | 34.8 | Very low | 33.4 | Very low | 53 Ų | 53 | 149.4 Ų | 149.4 | 55% | 0.546 | 82% | 0.817 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 155.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 94 | P | 35.9 | Very low | 33 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 136 | -178 | 29.2 | -35 | 0 | 0 | 0 | 112.4 | ||
| 95 | V | 36.2 | Very low | 33 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 143.9 | 172.6 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 96 | N | 36.2 | Very low | 32.6 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 156.5 | -171.2 | -128.7 | 17.9 | 0 | 0 | 0 | 113.1 | ||
| 97 | P | 33 | Very low | 32.7 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 172.6 | -171.7 | 33.9 | -35.9 | 0 | 0 | 0 | 114.9 | ||
| 98 | M | 31.7 | Very low | 32.6 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 146.6 | -167.7 | -59.7 | 172.8 | -177.4 | 0 | 0 | 117.5 | ||
| 99 | D | 36.8 | Very low | 32.6 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 156.3 | 159.8 | -157.8 | -4.5 | 0 | 0 | 0 | 111.1 | ||
| 100 | Q | 30.5 | Very low | 32.3 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 139.6 | -169 | -58.5 | 176.5 | 14.6 | 0 | 0 | 112.4 | ||
| 101 | K | 36.8 | Very low | 32.3 | Very low | 208 Ų | 208 | 142.4 Ų | 142.4 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -147.2 | 130.3 | 148.9 | -126.1 | 174.6 | -171.7 | -177.9 | 0 | 115.4 | ||||
| 102 | I | 30 | Very low | 32.1 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | -80.2 | 132.6 | 178.3 | -61 | 156.3 | 0 | 0 | 0 | 109.4 | K104 | I102-K104 HydrophobicContact CG2-CG 4.23Š| ||
| 103 | I | 35.5 | Very low | 31.8 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -130.9 | 140.6 | 148.8 | -62 | -176 | 0 | 0 | 0 | 107.1 | ||||
| 104 | K | 29.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -109.6 | 175 | 179.2 | -71.1 | -176.9 | 165.5 | -172.2 | 0 | 111.3 | I102 | I102-K104 HydrophobicContact CG2-CG 4.23Š| ||
| 105 | D | 30 | Very low | 31.4 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 78.5 | 111 | 148.9 | -54.5 | -40.4 | 0 | 0 | 0 | 118.7 | ||||
| 106 | S | 28.3 | Very low | 31 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 69.2 | 160.3 | 151.6 | -48.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 107 | V | 30.6 | Very low | 30.9 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | cis | -137.9 | 159.1 | 1.1 | -138.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 108 | N | 29.4 | Very low | 30.8 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -107.2 | 119.2 | 174.5 | -169.3 | 24.7 | 0 | 0 | 0 | 111.4 | ||||
| 109 | P | 30.6 | Very low | 30.6 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -111.9 | 150.3 | 170.3 | 36.8 | -27.6 | 0 | 0 | 0 | 113.5 | ||||
| 110 | M | 25.5 | Very low | 30 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -93.5 | 137.9 | -169.8 | -63.2 | 165.5 | -77.3 | 0 | 0 | 114.5 | ||||
| 111 | G | 28.2 | Very low | 29.9 | Very low | 69 Ų | 69 | 147.3 Ų | 147.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 82.2 | 140.2 | 131.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 112 | Q | 30.2 | Very low | 29.4 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | -174.3 | 117.8 | 118.4 | -97.2 | 173.6 | 41.6 | 0 | 0 | 112.5 | |||||
| 113 | I | 27.7 | Very low | 29.4 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | 64.2 | 137.8 | 127.4 | -58.8 | 172.1 | 0 | 0 | 0 | 120.8 | |||||
| 114 | K | 32.8 | Very low | 29 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 70% | 0.704 | 77% | 0.771 | S | S | * | * | trans | -111.9 | 152.9 | 177.9 | -61 | 179 | 178.3 | 179.6 | 0 | 113 | ||||
| 115 | P | 30.4 | Very low | 29.1 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -101.8 | -177.8 | 152.6 | -6.5 | 27.4 | 0 | 0 | 0 | 113.9 | ||||
| 116 | M | 27.7 | Very low | 29 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 93% | 0.931 | 77% | 0.774 | S | S | * | * | trans | -120.7 | 168.4 | -164.3 | -80.4 | 166.4 | 51.5 | 0 | 0 | 116.4 | ||||
| 117 | N | 34.5 | Very low | 29.1 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -84.4 | 160.5 | -178.3 | -124.7 | 27.1 | 0 | 0 | 0 | 114.6 | ||||
| 118 | P | 30.8 | Very low | 29 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | -134.8 | 143.1 | 129.8 | 38.6 | -27.8 | 0 | 0 | 0 | 111.6 | |||||
| 119 | M | 27.4 | Very low | 29.1 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | 55.9 | 134.3 | 61.9 | -61.4 | -149.2 | -57.7 | 0 | 0 | 114.1 | |||||
| 120 | C | 24.2 | Very low | 29.3 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | cis | -148.8 | -156.7 | 3.5 | -139.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 121 | Q | 28.3 | Very low | 29.5 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | cis | -150 | -134 | 8.9 | -151.7 | 170.6 | 93.3 | 0 | 0 | 112.4 | ||||
| 122 | R | 26.6 | Very low | 29.7 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -164.3 | 163.2 | -171 | -168.1 | -169.6 | -72 | 157 | -5.9 | 113.1 | ||||
| 123 | N | 29.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | trans | 126.7 | 146.5 | 154.2 | -62.2 | -12 | 0 | 0 | 0 | 113.8 | ||||
| 124 | S | 27.9 | Very low | 29.9 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | cis | 92.1 | 139.6 | 15.2 | -51.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 125 | M | 29.9 | Very low | 29.9 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | cis | -165 | 177.4 | 5.1 | -126.7 | -65.4 | -76.6 | 0 | 0 | 112.9 | ||||
| 126 | A | 28.9 | Very low | 30.3 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | 76.3 | 170.6 | 163 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 127 | S | 29.6 | Very low | 30.7 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | cis | 165.8 | 124.7 | -49.7 | -82.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 128 | V | 30.2 | Very low | 30.5 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 95% | 0.945 | 77% | 0.772 | S | S | * | * | trans | -156.1 | 160.7 | 153.3 | -132.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 129 | N | 30.3 | Very low | 30.6 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -137.2 | -161.6 | 173.7 | -149.1 | 9.2 | 0 | 0 | 0 | 105.8 | ||||
| 130 | P | 35.9 | Very low | 30.9 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 49% | 0.487 | 78% | 0.782 | S | S | . | * | cis | -136.2 | -157.4 | -17 | 41.5 | -20.9 | 0 | 0 | 0 | 114 | ||||
| 131 | Y | 28.9 | Very low | 31.5 | Very low | 229 Ų | 229 | 141.5 Ų | 141.5 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | 116.8 | 136.1 | 153 | -66.6 | -65.8 | 0 | 0 | 0 | 118 | ||||
| 132 | G | 32.8 | Very low | 31.9 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 142.7 | 92.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 133 | Q | 30.6 | Very low | 32.3 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -93.6 | 158.7 | 171.4 | -64 | 178.1 | 1.7 | 0 | 0 | 111.4 | ||||
| 134 | I | 32.1 | Very low | 32.7 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -174.8 | 138.8 | 132.1 | -93.5 | 148.9 | 0 | 0 | 0 | 108.8 | ||||
| 135 | H | 32.8 | Very low | 33 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | -104.8 | -158.8 | 177.5 | -63 | -168.1 | 0 | 0 | 0 | 111.2 | ||||
| 136 | P | 37.9 | Very low | 33.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | -129.3 | -171.2 | -104.2 | 41.3 | -22.4 | 0 | 0 | 0 | 113.6 | |||||
| 137 | K | 36.4 | Very low | 33.5 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -158.7 | 157 | 145.3 | -113.3 | 158.2 | -172.3 | 176.7 | 0 | 113 | ||||
| 138 | G | 30.1 | Very low | 33.7 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -87.5 | -176.4 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 139 | P | 32.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | trans | -100.3 | 165.6 | -154.7 | 38.5 | -37.6 | 0 | 0 | 0 | 115.7 | ||||
| 140 | V | 34.6 | Very low | 34.2 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -138.7 | 130.5 | 161.5 | -178 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 141 | N | 35.6 | Very low | 34.1 | Very low | 148 Ų | 148 | 150 Ų | 150 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -110.1 | 165.8 | 172.6 | -145.2 | 15.1 | 0 | 0 | 0 | 107.2 | ||||
| 142 | P | 37 | Very low | 34.2 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | cis | -138.5 | 173.5 | 4.7 | 42.9 | -24.4 | 0 | 0 | 0 | 117.7 | ||||
| 143 | N | 35.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | 12.7 | 160.3 | 133.9 | -130.2 | 11.8 | 0 | 0 | 0 | 120.7 | ||||
| 144 | P | 37.6 | Very low | 34.2 | Very low | 93 Ų | 93 | 145 Ų | 145 | 60% | 0.604 | 81% | 0.813 | S | S | * | * | cis | -135.1 | -168.2 | -4.3 | 30.7 | -6.4 | 0 | 0 | 0 | 115.7 | ||||
| 145 | N | 34.4 | Very low | 34.2 | Very low | 162 Ų | 162 | 144 Ų | 144 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | 79.7 | 115 | 161.6 | -62.7 | -24 | 0 | 0 | 0 | 119.1 | ||||
| 146 | G | 35.5 | Very low | 33.9 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 173.7 | 83.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 147 | Q | 33.2 | Very low | 33.6 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -74.8 | 125.6 | 172.3 | -68.4 | -179.7 | -7.7 | 0 | 0 | 110.8 | ||||
| 148 | M | 34 | Very low | 33.3 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -139.8 | 141.7 | 149.4 | -79 | -154.6 | -71.1 | 0 | 0 | 110.8 | ||||
| 149 | K | 34.9 | Very low | 33.5 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | trans | -107.6 | 173.9 | 174.1 | -71.3 | -179.7 | 179 | 179.4 | 0 | 109.4 | ||||
| 150 | H | 36.1 | Very low | 33.4 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 76.5 | 108.2 | 164.9 | -44.2 | -78.4 | 0 | 0 | 0 | 116.6 | ||||
| 151 | M | 33.2 | Very low | 33.2 | Very low | 192 Ų | 192 | 144.7 Ų | 144.7 | 95% | 0.946 | 81% | 0.809 | S | S | * | * | -154.4 | 158.2 | 96.2 | -102.5 | 176.7 | -72.7 | 0 | 0 | 111.1 | |||||
| 152 | G | 31.6 | Very low | 33 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | -88 | 179.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 153 | P | 31.6 | Very low | 32.5 | Very low | 127 Ų | 127 | 146 Ų | 146 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -83 | 157.3 | -165.5 | 33.3 | -36.7 | 0 | 0 | 0 | 114.8 | ||||
| 154 | M | 31.5 | Very low | 32.3 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -107 | 149.8 | 163.2 | -83.1 | -80.6 | -77.5 | 0 | 0 | 109.8 | ||||
| 155 | N | 32.6 | Very low | 32 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | -98.6 | 152.8 | -166.4 | -97.9 | -27.9 | 0 | 0 | 0 | 114.7 | ||||
| 156 | L | 27 | Very low | 31.7 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | trans | 42.1 | 112.9 | 143.7 | -70 | 157.4 | 0 | 0 | 0 | 119.4 | ||||
| 157 | M | 31.3 | Very low | 31.1 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | -155.2 | 118.8 | 129.7 | -131.9 | 166.9 | -74 | 0 | 0 | 113.4 | |||||
| 158 | E | 29.8 | Very low | 30.8 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -126.3 | 174.1 | 157.8 | -112.1 | -155 | 140.9 | 0 | 0 | 106.2 | ||||
| 159 | P | 33.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -126.5 | -177.7 | 1.1 | 40.9 | -26.5 | 0 | 0 | 0 | 113.5 | ||||
| 160 | G | 30.5 | Very low | 30 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 174 | 112.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 161 | N | 30 | Very low | 29.6 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -140.9 | 125.1 | 171.8 | 174.4 | 11.1 | 0 | 0 | 0 | 110.9 | ||||
| 162 | P | 32.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -133.8 | 112.5 | 156.1 | 34 | -17.4 | 0 | 0 | 0 | 114.5 | ||||
| 163 | N | 25.7 | Very low | 29 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 13.6 | 123.5 | 146.6 | -62.9 | -24.7 | 0 | 0 | 0 | 121.4 | ||||
| 164 | G | 31.1 | Very low | 29 | Very low | 66 Ų | 66 | 142.7 Ų | 142.7 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | -152.1 | 122.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 165 | Q | 30.7 | Very low | 28.7 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | 64 | 126.6 | 88.7 | -73.2 | -167.9 | -5.1 | 0 | 0 | 113.5 | |||||
| 166 | I | 28.1 | Very low | 28.5 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | cis | -152.7 | 155.4 | 11.4 | -97.3 | 147.8 | 0 | 0 | 0 | 110.6 | ||||
| 167 | N | 24.4 | Very low | 28.5 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -104.8 | 128.5 | 169.1 | -97.9 | -15.8 | 0 | 0 | 0 | 111.8 | ||||
| 168 | S | 26.1 | Very low | 28.2 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 165.3 | 154.9 | 161.6 | -84.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | M | 26.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -158 | 146.1 | -2.4 | -124.7 | -175.9 | -66.9 | 0 | 0 | 111.9 | ||||
| 170 | S | 26.1 | Very low | 27.8 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 17.9 | 106.5 | 144.9 | -50.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 171 | Q | 28.3 | Very low | 27.7 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -143.3 | 110.6 | 138.2 | -64.3 | -168.1 | 18.2 | 0 | 0 | 107.2 | ||||
| 172 | M | 26 | Very low | 27.7 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 89% | 0.892 | 76% | 0.759 | S | S | * | * | 78.5 | 101.3 | 71.9 | -71.7 | -168.5 | 179.7 | 0 | 0 | 115.3 | |||||
| 173 | N | 26.1 | Very low | 27.6 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -57.7 | 168.1 | 152.7 | -77.6 | -21.4 | 0 | 0 | 0 | 110.8 | ||||
| 174 | P | 31.2 | Very low | 27.6 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | cis | -143.9 | -168.5 | 24.8 | 38.5 | -15.7 | 0 | 0 | 0 | 116.9 | ||||
| 175 | M | 25.8 | Very low | 27.7 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | trans | 75.7 | 143.5 | 171.2 | -50.6 | -175.1 | -63.6 | 0 | 0 | 116.3 | ||||
| 176 | G | 27.6 | Very low | 27.5 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | cis | 165.5 | 169.9 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 177 | Q | 27.9 | Very low | 27.6 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | 69.2 | 102.7 | 169.7 | -54.7 | -166.5 | 24.2 | 0 | 0 | 116 | ||||
| 178 | I | 24.2 | Very low | 28.1 | Very low | 132 Ų | 132 | 137 Ų | 137 | 68% | 0.677 | 74% | 0.737 | S | S | * | * | 89.6 | 116.5 | 93.3 | -75.6 | 160.4 | 0 | 0 | 0 | 112.7 | I180 | I178-I180 HydrophobicContact CG2-CG1 4.32Š| |||
| 179 | N | 28.8 | Very low | 28.3 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | trans | -141.1 | 105.3 | 133.4 | -163.7 | -3.8 | 0 | 0 | 0 | 108.8 | M181 | N179-M181 PolarHBondContact O-N 2.88Å; N179-M181 VanDerWaalsContact OD1-CE 3.26Å; N179-M181 WeakPolarHBondContact OD1-CE 3.41Å | ||
| 180 | I | 25.3 | Very low | 28.3 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -93.5 | 86.2 | -177.4 | -60.9 | 171.6 | 0 | 0 | 0 | 108.3 | I178 | I178-I180 HydrophobicContact CG2-CG1 4.32Š| ||
| 181 | M | 28.4 | Very low | 28.5 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | trans | -152.2 | 146.3 | 170.1 | -77.3 | -168 | -78.9 | 0 | 0 | 106.7 | N179 | N179-M181 PolarHBondContact O-N 2.88Å; N179-M181 VanDerWaalsContact OD1-CE 3.26Å; N179-M181 WeakPolarHBondContact OD1-CE 3.41Å | ||
| 182 | S | 31.5 | Very low | 28.5 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | cis | -173.8 | 154.7 | -8 | -89.5 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 183 | Q | 30.8 | Very low | 28.5 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | cis | -164 | 144 | -5.4 | -111.1 | 165.3 | 67.1 | 0 | 0 | 106.5 | ||||
| 184 | M | 26 | Very low | 28.7 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 80% | 0.798 | 70% | 0.698 | S | S | * | * | trans | 65.7 | 148 | 175.1 | -56.8 | 169.2 | -76.9 | 0 | 0 | 115.2 | ||||
| 185 | N | 31.5 | Very low | 28.6 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | cis | -99.4 | 127 | 2.3 | -109.8 | -16.6 | 0 | 0 | 0 | 112.9 | M187 | N185-M187 HydrophobicContact CB-CB 4.48Å; N185-M187 PolarHBondContact O-N 3.29Å | ||
| 186 | L | 27.6 | Very low | 28.5 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | trans | -80.7 | 90.4 | 160.5 | -172.6 | 149 | 0 | 0 | 0 | 106.7 | D188 | L186-D188 HydrophobicContact CD2-CB 3.81Å; L186-D188 WeakPolarHBondContact CD2-OD2 3.5Å; L186-D188 HydrophobicContact CG-CB 4.04Å | ||
| 187 | M | 29.8 | Very low | 28.8 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 64% | 0.64 | 70% | 0.704 | S | S | * | * | trans | -157.5 | 72.3 | 176 | -169.5 | 172.9 | 180 | 0 | 0 | 107.9 | N185 I190 | N185-M187 HydrophobicContact CB-CB 4.48Å; N185-M187 PolarHBondContact O-N 3.29Å; M187-I190 HydrophobicContact CE-CB 4.45Å | ||
| 188 | D | 34.1 | Very low | 28.7 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 49% | 0.492 | 70% | 0.703 | S | S | . | * | cis | 56 | 82.7 | 33.3 | -139.3 | -11 | 0 | 0 | 0 | 111.8 | L186 I190 | L186-D188 HydrophobicContact CD2-CB 3.81Å; L186-D188 WeakPolarHBondContact CD2-OD2 3.5Å; L186-D188 HydrophobicContact CG-CB 4.04Å; D188-I190 PolarHBondContact O-N 2.95Å | ||
| 189 | Q | 30.7 | Very low | 29 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | trans | 64.4 | 40.9 | 148.1 | -61 | 179.5 | 83.5 | 0 | 0 | 120 | ||||
| 190 | I | 25.8 | Very low | 29 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -124.9 | 60.3 | 149.4 | -41 | -178.9 | 0 | 0 | 0 | 112.4 | M187 D188 | M187-I190 HydrophobicContact CE-CB 4.45Å; D188-I190 PolarHBondContact O-N 2.95Å |
| 191 | N | 30.3 | Very low | 29.3 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -146.6 | 23.9 | 131.1 | -141.6 | -7.6 | 0 | 0 | 0 | 113.7 | M193 | N191-M193 PolarHBondContact O-N 2.88Š|
| 192 | L | 29.1 | Very low | 29.6 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 71% | 0.707 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -91.4 | 24 | 169.2 | -130.9 | 166.7 | 0 | 0 | 0 | 111.1 | ||
| 193 | M | 26.5 | Very low | 29.7 | Very low | 127 Ų | 127 | 137 Ų | 137 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | trans | -139.9 | 54.8 | -179.2 | -151.3 | -174.3 | -56.6 | 0 | 0 | 111.9 | N191 M196 | N191-M193 PolarHBondContact O-N 2.88Å; M193-M196 HydrophobicContact CG-CE 3.74Å; M193-M196 HydrophobicContact SD-CE 4.1Å | ||
| 194 | S | 29.9 | Very low | 29.6 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -130.1 | -7.1 | 153.5 | -74.6 | 0 | 0 | 0 | 0 | 113.4 | M196 | S194-M196 PolarHBondContact O-N 3Š|
| 195 | Q | 28.1 | Very low | 29.9 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 58.8 | 149.9 | -71.3 | -164.7 | 55.8 | 0 | 0 | 110.5 | ||
| 196 | M | 25.5 | Very low | 29.8 | Very low | 131 Ų | 131 | 133 Ų | 133 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.1 | 3.5 | 164.9 | -121.9 | -162.3 | -54.9 | 0 | 0 | 115.8 | M193 S194 L198 | M193-M196 HydrophobicContact CG-CE 3.74Å; M193-M196 HydrophobicContact SD-CE 4.1Å; S194-M196 PolarHBondContact O-N 3Å; M196-L198 PolarHBondContact O-N 3.14Å |
| 197 | N | 32.1 | Very low | 30.1 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | trans | -79.6 | 57.6 | 171.1 | -74.3 | -5.2 | 0 | 0 | 0 | 111.8 | ||||
| 198 | L | 27.3 | Very low | 30.2 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | trans | -94.7 | 130.7 | 154.1 | -86.1 | 167 | 0 | 0 | 0 | 107.5 | M196 | M196-L198 PolarHBondContact O-N 3.14Š| ||
| 199 | M | 29.3 | Very low | 30 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 95% | 0.946 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 74.2 | 138.1 | -175.1 | -47.3 | -178.4 | -69.2 | 0 | 0 | 116.1 | ||
| 200 | G | 30 | Very low | 30.1 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | 120 | 59.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 201 | E | 30.8 | Very low | 30.5 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -21.1 | 140.2 | 158.8 | -71.2 | -75.3 | 118.9 | 0 | 0 | 118.1 | V203 | E201-V203 HydrophobicContact CB-CG2 3.98Å; E201-V203 HydrophobicContact CG-CG2 4.32Å | ||
| 202 | P | 35.4 | Very low | 30.6 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -110.7 | 111.4 | 135.4 | 32.9 | -28.5 | 0 | 0 | 0 | 111.5 | ||||
| 203 | V | 32.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | -77.9 | 120.7 | -169.8 | 179.1 | 0 | 0 | 0 | 0 | 113.4 | E201 | E201-V203 HydrophobicContact CB-CG2 3.98Å; E201-V203 HydrophobicContact CG-CG2 4.32Å | ||
| 204 | N | 29.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | trans | 53.8 | 149.3 | 141.9 | -147.6 | 3.5 | 0 | 0 | 0 | 120.1 | N206 | N204-N206 PolarHBondContact OD1-N 3.45Š| ||
| 205 | P | 32.5 | Very low | 31.3 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | -151.1 | 125.9 | 96 | 35 | -15.6 | 0 | 0 | 0 | 117.4 | |||||
| 206 | N | 29.8 | Very low | 31.9 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 71.1 | 155.3 | 158 | -53.1 | -49.5 | 0 | 0 | 0 | 116 | N204 | N204-N206 PolarHBondContact OD1-N 3.45Š| ||
| 207 | V | 32.2 | Very low | 32.2 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -146.6 | 132.4 | 30.1 | 176.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 208 | Q | 33.6 | Very low | 32.3 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | 62.5 | 116.5 | 156.7 | -69.5 | 164 | 19 | 0 | 0 | 119.5 | ||||
| 209 | M | 29.7 | Very low | 32.7 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | 74.7 | 138.1 | 81.7 | -72.4 | -160.8 | -156.6 | 0 | 0 | 114.4 | |||||
| 210 | K | 32.1 | Very low | 32.9 | Very low | 181 Ų | 181 | 136 Ų | 136 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | cis | -156 | -179.9 | 7.2 | -117.9 | -174.2 | 178 | 180 | 0 | 110.6 | ||||
| 211 | P | 34.6 | Very low | 32.8 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | trans | -138.3 | -162.7 | -132.2 | 40.9 | -17.4 | 0 | 0 | 0 | 116.5 | ||||
| 212 | M | 31.4 | Very low | 33 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | 75.8 | 154.6 | 167.9 | -66.5 | -177 | -69.3 | 0 | 0 | 116.3 | ||||
| 213 | E | 34.6 | Very low | 32.8 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | cis | -113.9 | -171.4 | 3.2 | -59 | -178.2 | -168 | 0 | 0 | 111.8 | ||||
| 214 | T | 34.3 | Very low | 32.7 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | cis | -146.6 | -169.9 | 1.9 | -26.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 215 | F | 32.7 | Very low | 33 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -142.8 | -176 | 176.9 | -90.1 | -76.8 | 0 | 0 | 0 | 107.3 | ||||
| 216 | P | 38.9 | Very low | 32.8 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | cis | -150.6 | -164.8 | 25.1 | 44.9 | -21.9 | 0 | 0 | 0 | 118.6 | ||||
| 217 | N | 33.2 | Very low | 32.9 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | 95.9 | 118 | 169.1 | -60 | -15.6 | 0 | 0 | 0 | 116.5 | ||||
| 218 | G | 34.8 | Very low | 33.1 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | 168.2 | 164.2 | -10 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 219 | Q | 34.7 | Very low | 32.8 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | 69.8 | 146.6 | 173.8 | -56.9 | -177.2 | -0.7 | 0 | 0 | 116.8 | ||||
| 220 | I | 33.6 | Very low | 33 | Very low | 144 Ų | 144 | 140 Ų | 140 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | cis | -148.3 | 136.8 | -13.3 | -110.8 | 160.5 | 0 | 0 | 0 | 110.8 | ||||
| 221 | N | 28.8 | Very low | 32.9 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -3.1 | 168.3 | 161.1 | -74.6 | -0.5 | 0 | 0 | 0 | 126.1 | ||||
| 222 | P | 33.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | -120 | 178.5 | -162.1 | 44.8 | -33 | 0 | 0 | 0 | 116.4 | ||||
| 223 | M | 32.3 | Very low | 32.5 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -179.8 | 135.8 | 145.7 | -96.2 | 165.3 | -72.4 | 0 | 0 | 107.6 | ||||
| 224 | E | 29.4 | Very low | 32.1 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | 90.2 | 153.3 | 54.9 | -89 | -148.1 | -164.9 | 0 | 0 | 115.3 | |||||
| 225 | P | 36.7 | Very low | 31.8 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | -126.4 | 171.5 | -129.2 | 44.1 | -34 | 0 | 0 | 0 | 117.5 | |||||
| 226 | M | 28.1 | Very low | 31.5 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | 173.9 | 142.6 | 144.2 | -94.3 | 179.2 | -167.4 | 0 | 0 | 108.9 | ||||
| 227 | N | 31.4 | Very low | 31 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | cis | 77.1 | 148.3 | 48 | -159.1 | 48.9 | 0 | 0 | 0 | 112.8 | ||||
| 228 | P | 37.2 | Very low | 30.6 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 56% | 0.558 | 76% | 0.761 | S | S | * | * | cis | -130.3 | -164.1 | -10.9 | 29.8 | -6.1 | 0 | 0 | 0 | 114.8 | ||||
| 229 | N | 26.5 | Very low | 30.4 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 91.1 | 137.5 | 149.4 | -67.2 | -22.3 | 0 | 0 | 0 | 121.1 | ||||
| 230 | G | 34.3 | Very low | 30.4 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | 123 | 54.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 231 | Q | 30.1 | Very low | 29.9 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | 45.6 | 118.9 | 96.2 | -74.5 | -172.6 | -17.2 | 0 | 0 | 112.9 | |||||
| 232 | M | 28.6 | Very low | 29.9 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -156 | 145.7 | 41.2 | -117 | 163.2 | -78.1 | 0 | 0 | 114.9 | ||||
| 233 | N | 29.4 | Very low | 29.5 | Very low | 136 Ų | 136 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 38.4 | 112.9 | 133.1 | -57.6 | 5.9 | 0 | 0 | 0 | 119.4 | ||||
| 234 | S | 26.2 | Very low | 29.2 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | 80.8 | 106.3 | 55.7 | 79 | 0 | 0 | 0 | 0 | 116 | |||||
| 235 | M | 27.1 | Very low | 29.3 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | -163.4 | 123.9 | 127.2 | -101.8 | 171 | -76.4 | 0 | 0 | 106.8 | |||||
| 236 | S | 27.3 | Very low | 28.8 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | 83.5 | 117.1 | 64.1 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 237 | S | 27 | Very low | 28.8 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 65.3 | 160 | -179.2 | 81.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 238 | M | 26 | Very low | 28.7 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 84% | 0.837 | 74% | 0.742 | S | S | * | * | cis | -146 | 134.3 | 2.9 | -148.2 | 168 | -64.1 | 0 | 0 | 110.5 | ||||
| 239 | N | 30.2 | Very low | 28.2 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -97.6 | 156.5 | 157.9 | -141.6 | 2.2 | 0 | 0 | 0 | 105.9 | ||||
| 240 | P | 33.7 | Very low | 28.2 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 60% | 0.597 | 73% | 0.729 | S | S | * | * | cis | -132.5 | -138 | -0.9 | 41.8 | -21.7 | 0 | 0 | 0 | 110.8 | ||||
| 241 | M | 24.7 | Very low | 27.9 | Very low | 178 Ų | 178 | 135 Ų | 135 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | 77 | 139.8 | 175.7 | -49.1 | 178 | -66.2 | 0 | 0 | 114.7 | ||||
| 242 | G | 27.9 | Very low | 27.6 | Very low | 63 Ų | 63 | 133.9 Ų | 133.9 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | cis | 137.7 | 124.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 243 | Q | 26 | Very low | 27.5 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | trans | 64.6 | 161.7 | -165.6 | -38.1 | 179.3 | 5.5 | 0 | 0 | 111.2 | ||||
| 244 | M | 26 | Very low | 27.4 | Very low | 154 Ų | 154 | 131 Ų | 131 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | cis | -125.2 | 161 | 0.5 | -66.7 | 175.8 | 174.2 | 0 | 0 | 110.4 | P246 | M244-P246 WeakPolarHBondContact O-CD 3.49Š| ||
| 245 | N | 29.9 | Very low | 27.4 | Very low | 175 Ų | 175 | 134 Ų | 134 | 94% | 0.936 | 73% | 0.729 | S | S | * | * | trans | -91.3 | 117.5 | 155.5 | -139.7 | 30.3 | 0 | 0 | 0 | 106.7 | ||||
| 246 | P | 27.3 | Very low | 27.3 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 58% | 0.584 | 71% | 0.709 | S | S | * | * | trans | -112.7 | 123.9 | 174 | 22.2 | -3.1 | 0 | 0 | 0 | 111.9 | M244 | M244-P246 WeakPolarHBondContact O-CD 3.49Š| ||
| 247 | M | 27.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | trans | 47.5 | 107.9 | 139.5 | -56.8 | 177.8 | -60.3 | 0 | 0 | 116.5 | ||||
| 248 | D | 30.1 | Very low | 27.4 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | cis | 55.2 | 108.8 | 45.5 | -148 | 0.5 | 0 | 0 | 0 | 112.9 | ||||
| 249 | Q | 26.8 | Very low | 27.5 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 60% | 0.603 | 73% | 0.725 | S | S | * | * | trans | 73.8 | 155.5 | 173.1 | -47.7 | -170.8 | 6.9 | 0 | 0 | 120 | ||||
| 250 | M | 25.6 | Very low | 27.2 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 53% | 0.527 | 72% | 0.722 | S | S | . | * | trans | 67.7 | 113 | 173.9 | -58.9 | 173.7 | -67.9 | 0 | 0 | 114.9 | M269 P271 | M250-M269 WeakPolarHBondContact CE-O 3.37Å; M250-P271 HydrophobicContact CE-CB 4.33Å | ||
| 251 | N | 27.8 | Very low | 26.9 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | cis | 52.7 | 93.5 | 43.2 | -172.5 | 22.5 | 0 | 0 | 0 | 113.6 | ||||
| 252 | L | 24.2 | Very low | 27.2 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -179.2 | 149.6 | 134.8 | -96.4 | 160.3 | 0 | 0 | 0 | 111.5 | ||||
| 253 | I | 26.2 | Very low | 27.3 | Very low | 128 Ų | 128 | 130 Ų | 130 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | trans | 57.5 | 105.2 | 148.2 | -65.9 | 165.7 | 0 | 0 | 0 | 118.7 | ||||
| 254 | S | 27.3 | Very low | 27.5 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | 20.2 | 126.8 | 125.5 | -40.3 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 255 | Q | 25.7 | Very low | 27.5 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | -176.5 | 162.7 | 105.6 | -101.2 | 156.4 | 109.5 | 0 | 0 | 115.1 | |||||
| 256 | M | 25.2 | Very low | 27.3 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 44% | 0.443 | 71% | 0.705 | S | S | . | * | trans | 52.2 | 106.1 | 152.4 | -68.2 | 177.1 | -73 | 0 | 0 | 119 | ||||
| 257 | N | 30.9 | Very low | 27.5 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 88% | 0.877 | 71% | 0.714 | S | S | * | * | -134.6 | 64.2 | 107 | -101.4 | -47.8 | 0 | 0 | 0 | 111 | |||||
| 258 | L | 26.9 | Very low | 27.4 | Very low | 143 Ų | 143 | 126 Ų | 126 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -55.4 | 134.9 | 143.1 | -93.6 | 165 | 0 | 0 | 0 | 107.4 | G260 | L258-G260 PolarHBondContact O-N 2.83Š|
| 259 | M | 27.1 | Very low | 27.3 | Very low | 201 Ų | 201 | 126.9 Ų | 126.9 | 99% | 0.99 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 76.4 | 171.8 | -164.5 | -168.4 | -49.8 | 0 | 0 | 109 | ||
| 260 | G | 25.1 | Very low | 27.4 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.9 | -4.3 | -161.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | L258 | L258-G260 PolarHBondContact O-N 2.83Š|
| 261 | G | 27.6 | Very low | 27.5 | Very low | 51 Ų | 51 | 125.9 Ų | 125.9 | 53% | 0.526 | 73% | 0.726 | S | S | . | * | trans | 100.9 | 145.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 262 | P | 30.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | trans | 58.5 | -164.2 | -177.8 | 25.1 | -36.1 | 0 | 0 | 0 | 114.3 | ||||
| 263 | V | 28.1 | Very low | 28.1 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | cis | -135.4 | 127.4 | -8.6 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 264 | N | 30.2 | Very low | 28.3 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -3.1 | 124.2 | 161.6 | -163.9 | 32.1 | 0 | 0 | 0 | 119.7 | ||||
| 265 | P | 27.7 | Very low | 28.5 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -86.2 | 115.9 | 172.3 | 33.4 | -31.5 | 0 | 0 | 0 | 112.8 | ||||
| 266 | N | 25.4 | Very low | 28.7 | Very low | 161 Ų | 161 | 127 Ų | 127 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -171.9 | 131.8 | 154.6 | -108.5 | -40.2 | 0 | 0 | 0 | 111.8 | ||||
| 267 | G | 30.7 | Very low | 29.1 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 170.3 | 89.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 268 | Q | 27 | Very low | 28.9 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -73.8 | 146.4 | 179.8 | -57.5 | 167 | -67.7 | 0 | 0 | 111.9 | ||||
| 269 | M | 27.6 | Very low | 29.1 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -156.5 | 104.6 | 158.7 | -116 | 175.1 | -67 | 0 | 0 | 113.9 | M250 | M250-M269 WeakPolarHBondContact CE-O 3.37Š| ||
| 270 | N | 28.4 | Very low | 29.1 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | 36.9 | 115.6 | 147.2 | -55.2 | -11.1 | 0 | 0 | 0 | 121.4 | ||||
| 271 | P | 27.9 | Very low | 29.1 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 55% | 0.552 | 76% | 0.755 | S | S | * | * | trans | -73.3 | 156.6 | 164.4 | 33.8 | -35.3 | 0 | 0 | 0 | 111.6 | M250 | M250-P271 HydrophobicContact CE-CB 4.33Š| ||
| 272 | M | 32.5 | Very low | 29.1 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -134.2 | 115.6 | -172.9 | -149.4 | 173.6 | -62.7 | 0 | 0 | 113.9 | ||||
| 273 | E | 30.9 | Very low | 28.7 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | 34.2 | 121.4 | 163.8 | -61.6 | -165 | 121.8 | 0 | 0 | 122.6 | ||||
| 274 | P | 31.4 | Very low | 28.6 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -85.9 | 113.6 | 168.2 | 33.5 | -31.6 | 0 | 0 | 0 | 113.1 | N276 | P274-N276 PolarHBondContact O-N 3.27Å; P274-N276 VanDerWaalsContact O-N 3.1Å | ||
| 275 | G | 31.9 | Very low | 28.4 | Very low | 82 Ų | 82 | 132.4 Ų | 132.4 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -78.6 | 85.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 276 | N | 30.1 | Very low | 28.3 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 47.3 | 107.8 | 151.9 | -167.7 | 23.7 | 0 | 0 | 0 | 120.1 | P274 | P274-N276 PolarHBondContact O-N 3.27Å; P274-N276 VanDerWaalsContact O-N 3.1Å | ||
| 277 | P | 32.4 | Very low | 28.4 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -89 | 129 | 173 | 34.5 | -31.4 | 0 | 0 | 0 | 113.4 | ||||
| 278 | N | 27.8 | Very low | 28.1 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -155.8 | 114.7 | 159.4 | -116.1 | -31.4 | 0 | 0 | 0 | 111.5 | ||||
| 279 | G | 30 | Very low | 28.2 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 164.4 | 59.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 280 | Q | 28.7 | Very low | 28.2 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -63.2 | 157.1 | 167.9 | -57 | 173 | -45.2 | 0 | 0 | 108.8 | ||||
| 281 | I | 24.8 | Very low | 28.2 | Very low | 139 Ų | 139 | 130 Ų | 130 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | -160.7 | 142.3 | 54.7 | -78 | 178.9 | 0 | 0 | 0 | 110.9 | |||||
| 282 | N | 26.3 | Very low | 28.2 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 44.1 | 118.5 | 157.7 | -57.6 | -6.9 | 0 | 0 | 0 | 122.3 | ||||
| 283 | S | 23.8 | Very low | 28 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 150 | 149.4 | -19 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 284 | M | 25.5 | Very low | 27.8 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 94% | 0.941 | 78% | 0.776 | S | S | * | * | trans | -147.7 | 123.5 | 141.8 | -133.3 | -169.6 | -57.1 | 0 | 0 | 110.7 | ||||
| 285 | S | 25.5 | Very low | 27.7 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 57% | 0.573 | 78% | 0.777 | S | S | * | * | trans | -101.3 | 152.7 | -179.1 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 286 | Q | 25.8 | Very low | 27.6 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 49% | 0.486 | 77% | 0.77 | S | S | . | * | trans | 59.8 | 111 | 166.2 | -55.1 | -177.1 | 22.6 | 0 | 0 | 118 | ||||
| 287 | I | 27.3 | Very low | 27.5 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | -136.1 | 121.2 | 141.2 | -58.5 | -176.8 | 0 | 0 | 0 | 108.2 | ||||
| 288 | N | 25.5 | Very low | 27.3 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 143 | 176.3 | -67.3 | -20.7 | 0 | 0 | 0 | 111.4 | ||
| 289 | P | 28.4 | Very low | 27.5 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 124.7 | 150.9 | 32.3 | -27.3 | 0 | 0 | 0 | 109.5 | ||
| 290 | M | 28.1 | Very low | 27.3 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 159.7 | -176.6 | -64.5 | -170.2 | -64.2 | 0 | 0 | 113.2 | ||
| 291 | G | 27.7 | Very low | 27.3 | Very low | 65 Ų | 65 | 138.4 Ų | 138.4 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 158 | 169 | 0 | 0 | 0 | 0 | 0 | 113 | I293 | G291-I293 PolarHBondContact O-N 2.93Å; G291-I293 VanDerWaalsContact O-N 3.12Å |
| 292 | Q | 28.3 | Very low | 27.5 | Very low | 206 Ų | 206 | 141 Ų | 141 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | trans | -67.6 | 108.3 | -173.8 | -59.9 | 178 | 32.2 | 0 | 0 | 111.6 | ||||
| 293 | I | 27.9 | Very low | 27.4 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | -102.6 | 127.6 | 166.4 | -63.7 | -179.8 | 0 | 0 | 0 | 108.6 | G291 | G291-I293 PolarHBondContact O-N 2.93Å; G291-I293 VanDerWaalsContact O-N 3.12Å | ||
| 294 | N | 26.4 | Very low | 27.7 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 152 | -179.9 | -101.4 | -57.2 | 0 | 0 | 0 | 112.6 | ||||
| 295 | R | 29.7 | Very low | 27.8 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | 78 | 152.8 | 162.3 | -72.1 | 175.2 | 178.6 | -89.2 | -3 | 117.3 | ||||
| 296 | P | 29.1 | Very low | 27.9 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | -137.9 | 172.8 | -126.7 | 45.1 | -29.2 | 0 | 0 | 0 | 117.9 | |||||
| 297 | V | 27.7 | Very low | 28.1 | Very low | 126 Ų | 126 | 157 Ų | 157 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | trans | 56.5 | 123 | 161.3 | -142.4 | 0 | 0 | 0 | 0 | 120 | P299 | V297-P299 HydrophobicContact CG1-CG 4.48Š| ||
| 298 | N | 29.3 | Very low | 28.3 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | -155.3 | 128.4 | 128.4 | -163.1 | 12.4 | 0 | 0 | 0 | 110.6 | |||||
| 299 | P | 31.9 | Very low | 28.5 | Very low | 87 Ų | 87 | 153.5 Ų | 153.5 | 57% | 0.565 | 83% | 0.834 | S | S | * | * | trans | -114.7 | 127.4 | -177.6 | 35.6 | -21.5 | 0 | 0 | 0 | 113.8 | V297 | V297-P299 HydrophobicContact CG1-CG 4.48Š| ||
| 300 | N | 25.2 | Very low | 28.6 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 97% | 0.968 | 83% | 0.833 | S | S | * | * | trans | 175.1 | 138.6 | 148.4 | -94.9 | -36.2 | 0 | 0 | 0 | 110.8 | ||||
| 301 | G | 29.2 | Very low | 28.6 | Very low | 75 Ų | 75 | 151.3 Ų | 151.3 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | 173.6 | 42.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 302 | Q | 29.2 | Very low | 28.5 | Very low | 195 Ų | 195 | 156.4 Ų | 156.4 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | 15.6 | 130.5 | 164 | -66.4 | 176.2 | -30.3 | 0 | 0 | 121.5 | ||||
| 303 | M | 24.8 | Very low | 28.5 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -68.9 | 161.4 | 172.5 | -60.3 | -172.4 | -67.7 | 0 | 0 | 114.5 | ||||
| 304 | N | 29.5 | Very low | 28.5 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -136.7 | 163 | 153.9 | -103.7 | -50.4 | 0 | 0 | 0 | 111.7 | ||||
| 305 | R | 27.4 | Very low | 28.4 | Very low | 245 Ų | 245 | 153.2 Ų | 153.2 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -76 | 159.7 | -160.6 | -66.7 | -178.2 | 172.5 | -160.5 | -1.4 | 116.1 | ||||
| 306 | M | 28 | Very low | 28.3 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 93% | 0.931 | 83% | 0.831 | S | S | * | * | trans | -96.1 | 160.9 | 157.9 | -67 | -178 | -77.1 | 0 | 0 | 111.3 | ||||
| 307 | E | 30.3 | Very low | 28.3 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | -134.6 | 148.6 | 174.5 | -169 | 163 | -139.1 | 0 | 0 | 109.9 | ||||
| 308 | P | 31.2 | Very low | 28.2 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | trans | -110.2 | 153.6 | -156.6 | 39.7 | -33.5 | 0 | 0 | 0 | 117.3 | ||||
| 309 | G | 29.8 | Very low | 28.1 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | 157.3 | 149.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 310 | N | 29.5 | Very low | 27.8 | Very low | 152 Ų | 152 | 155 Ų | 155 | 81% | 0.813 | 86% | 0.855 | S | S | * | * | cis | -150.1 | 146.8 | 3.7 | 178.8 | 69.1 | 0 | 0 | 0 | 108.3 | N312 | N310-N312 PolarHBondContact O-N 3.06Š| ||
| 311 | P | 29.5 | Very low | 27.8 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 67% | 0.669 | 85% | 0.849 | S | S | * | * | trans | -86.3 | 113.6 | -171.8 | 32.2 | -32.6 | 0 | 0 | 0 | 113.3 | ||||
| 312 | N | 25 | Very low | 27.8 | Very low | 173 Ų | 173 | 158.3 Ų | 158.3 | 93% | 0.925 | 85% | 0.852 | S | S | * | * | trans | 173.6 | 118.3 | 142.9 | -92.8 | -21.5 | 0 | 0 | 0 | 109.9 | N310 | N310-N312 PolarHBondContact O-N 3.06Š| ||
| 313 | G | 29.1 | Very low | 27.8 | Very low | 68 Ų | 68 | 156.7 Ų | 156.7 | 70% | 0.701 | 85% | 0.848 | S | S | * | * | S | Bend | trans | 156.1 | 139.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M315 | G313-M315 PolarHBondContact O-N 3.3Å; G313-M315 VanDerWaalsContact O-N 3.15Å |
| 314 | Q | 26.9 | Very low | 28 | Very low | 195 Ų | 195 | 157 Ų | 157 | 91% | 0.911 | 85% | 0.85 | S | S | * | * | trans | -72.7 | 105.4 | -176.3 | -67.6 | 168.9 | -73.3 | 0 | 0 | 111.1 | N316 | Q314-N316 PolarHBondContact O-N 2.88Š| ||
| 315 | M | 23.9 | Very low | 28 | Very low | 179 Ų | 179 | 161.1 Ų | 161.1 | 88% | 0.882 | 85% | 0.853 | S | S | * | * | trans | -86.9 | 93 | 172.5 | -73.3 | -170.8 | 171.6 | 0 | 0 | 111.1 | G313 S317 | G313-M315 PolarHBondContact O-N 3.3Å; G313-M315 VanDerWaalsContact O-N 3.15Å; M315-S317 PolarHBondContact O-N 3.47Å | ||
| 316 | N | 28.1 | Very low | 28.1 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -75.6 | 102.8 | 167.3 | -84.7 | -10.7 | 0 | 0 | 0 | 110.9 | Q314 | Q314-N316 PolarHBondContact O-N 2.88Š| ||
| 317 | S | 29.5 | Very low | 28.4 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | 48.7 | 81.5 | 146.2 | -51.1 | 0 | 0 | 0 | 0 | 118.6 | M315 | M315-S317 PolarHBondContact O-N 3.47Š| ||
| 318 | M | 24.2 | Very low | 28.5 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | trans | -72.7 | 123.3 | 153.3 | -89.8 | -174.2 | -79.8 | 0 | 0 | 110.6 | ||||
| 319 | S | 28.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | 165.8 | 101.8 | 136.3 | -76.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 320 | Q | 25.8 | Very low | 28.5 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -87.7 | 133 | 155.6 | -67.7 | -173.1 | 21.7 | 0 | 0 | 109 | ||||
| 321 | M | 24.4 | Very low | 28.6 | Very low | 173 Ų | 173 | 149 Ų | 149 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | -150.4 | 87.9 | 157.7 | -160.3 | 176.8 | -65.7 | 0 | 0 | 110 | L323 | M321-L323 PolarHBondContact O-N 2.81Å; M321-L323 VanDerWaalsContact O-N 3.08Å | ||
| 322 | N | 30.2 | Very low | 28.7 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -69.5 | 103.4 | 178.1 | -83.2 | -36.2 | 0 | 0 | 0 | 110.5 | M324 | N322-M324 PolarHBondContact O-N 2.75Š| ||
| 323 | L | 29.1 | Very low | 28.8 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -64.1 | 127.4 | 173.8 | -87.2 | 155.7 | 0 | 0 | 0 | 111.1 | M321 R325 | M321-L323 PolarHBondContact O-N 2.81Å; M321-L323 VanDerWaalsContact O-N 3.08Å; L323-R325 PolarHBondContact O-N 3.02Å | ||
| 324 | M | 28.5 | Very low | 28.8 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -63.5 | 103.6 | -178.3 | -70.3 | 166.4 | 58.4 | 0 | 0 | 111.8 | N322 G326 | N322-M324 PolarHBondContact O-N 2.75Å; M324-G326 PolarHBondContact O-N 3.04Å | ||
| 325 | R | 28.5 | Very low | 28.8 | Very low | 253 Ų | 253 | 151 Ų | 151 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | trans | -88.6 | 90.3 | 161.6 | -86.7 | -171 | 170.2 | -129.7 | 2.6 | 110.1 | L323 | L323-R325 PolarHBondContact O-N 3.02Š| ||
| 326 | G | 30.4 | Very low | 29 | Very low | 48 Ų | 48 | 150.5 Ų | 150.5 | 50% | 0.495 | 82% | 0.819 | S | S | . | * | trans | -131 | 151.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | M324 V328 | M324-G326 PolarHBondContact O-N 3.04Å; G326-V328 PolarHBondContact O-N 2.99Å | ||
| 327 | P | 34.9 | Very low | 28.9 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.1 | 179.2 | 27.5 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 328 | V | 31.5 | Very low | 28.8 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 126.7 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | G326 | G326-V328 PolarHBondContact O-N 2.99Š|
| 329 | N | 32.6 | Very low | 28.9 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 69% | 0.69 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 126.5 | -176.5 | -171.2 | -6.6 | 0 | 0 | 0 | 111.2 | N331 | N329-N331 PolarHBondContact O-N 3.34Š|
| 330 | P | 29.1 | Very low | 28.9 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -6.5 | -166.3 | -27.4 | 36.4 | 0 | 0 | 0 | 118.8 | ||
| 331 | N | 31.3 | Very low | 28.9 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 19 | -168.6 | -83.5 | -13.6 | 0 | 0 | 0 | 115.3 | N329 | N329-N331 PolarHBondContact O-N 3.34Š|
| 332 | G | 31.8 | Very low | 29.1 | Very low | 66 Ų | 66 | 150.7 Ų | 150.7 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | trans | -99.8 | 102.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | M334 | G332-M334 PolarHBondContact O-N 2.96Š| ||
| 333 | Q | 27.4 | Very low | 29 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -66.9 | 125.2 | 167.7 | -72.2 | -176.8 | -22.1 | 0 | 0 | 110.7 | ||||
| 334 | M | 28 | Very low | 29 | Very low | 176 Ų | 176 | 148.7 Ų | 148.7 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -126.2 | 130.5 | 166.3 | -69.4 | -143.9 | -65.8 | 0 | 0 | 111.2 | G332 | G332-M334 PolarHBondContact O-N 2.96Š| ||
| 335 | N | 27.2 | Very low | 29.1 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | -111.8 | 129.5 | -176.2 | -179.8 | 6.6 | 0 | 0 | 0 | 109.2 | ||||
| 336 | M | 28.7 | Very low | 29.2 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -129 | 105.5 | -179.1 | -76.1 | -89.1 | -162.7 | 0 | 0 | 108.9 | ||||
| 337 | N | 26.4 | Very low | 29.2 | Very low | 134 Ų | 134 | 149 Ų | 149 | 72% | 0.717 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 152.4 | 175.8 | -86.2 | -28.5 | 0 | 0 | 0 | 112.1 | ||
| 338 | S | 26.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 154.5 Ų | 154.5 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 139.3 | -167.5 | -46.5 | 0 | 0 | 0 | 0 | 117.4 | ||
| 339 | Y | 27.1 | Very low | 29.2 | Very low | 226 Ų | 226 | 155.5 Ų | 155.5 | 89% | 0.886 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 152.5 | 158.4 | -85.9 | -89.5 | 0 | 0 | 0 | 111.6 | ||
| 340 | G | 28.9 | Very low | 29.3 | Very low | 73 Ų | 73 | 154.3 Ų | 154.3 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 171.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 341 | Q | 25.2 | Very low | 29.3 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 151.9 | -174.7 | -58.4 | 173.7 | 4.2 | 0 | 0 | 113.6 | ||
| 342 | M | 28.3 | Very low | 29.2 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -133 | 146.5 | 159.3 | -76.8 | -166.6 | -77.8 | 0 | 0 | 110.4 | ||||
| 343 | N | 28.7 | Very low | 29.2 | Very low | 143 Ų | 143 | 159 Ų | 159 | 77% | 0.765 | 84% | 0.838 | S | S | * | * | trans | -82.4 | 156.3 | -170.1 | -72.6 | -25.6 | 0 | 0 | 0 | 113.2 | ||||
| 344 | P | 27.8 | Very low | 29.1 | Very low | 129 Ų | 129 | 158.1 Ų | 158.1 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -69.6 | 160.5 | 177.4 | 30.5 | -36.8 | 0 | 0 | 0 | 112.9 | ||||
| 345 | M | 31 | Very low | 29.1 | Very low | 186 Ų | 186 | 157.7 Ų | 157.7 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -133.3 | 141.7 | 176.3 | -136.5 | 177.5 | -65 | 0 | 0 | 110.1 | ||||
| 346 | E | 31.7 | Very low | 29.2 | Very low | 188 Ų | 188 | 155.6 Ų | 155.6 | 88% | 0.879 | 84% | 0.84 | S | S | * | * | trans | -80.3 | 155.6 | -166.7 | -74.2 | -173 | 136.7 | 0 | 0 | 115.2 | ||||
| 347 | P | 30 | Very low | 29 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 79% | 0.792 | 85% | 0.845 | S | S | * | * | trans | -82.2 | 157 | -175.5 | 34 | -37 | 0 | 0 | 0 | 114.1 | ||||
| 348 | R | 33.6 | Very low | 29 | Very low | 253 Ų | 253 | 155.6 Ų | 155.6 | 96% | 0.955 | 85% | 0.848 | S | S | * | * | trans | -133.5 | 159.4 | 163.1 | -84.2 | -167.8 | 169 | -170.2 | -3.4 | 112.5 | ||||
| 349 | N | 32 | Very low | 29.2 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 85% | 0.85 | 84% | 0.842 | S | S | * | * | trans | -70.7 | 155.3 | -151.5 | -121.6 | 15.4 | 0 | 0 | 0 | 115.9 | ||||
| 350 | P | 35.8 | Very low | 29 | Very low | 103 Ų | 103 | 155.2 Ų | 155.2 | 67% | 0.669 | 84% | 0.843 | S | S | * | * | trans | -87.2 | 144.2 | -179.9 | 35.4 | -33.6 | 0 | 0 | 0 | 112.9 | ||||
| 351 | N | 28 | Very low | 29 | Very low | 176 Ų | 176 | 158.4 Ų | 158.4 | 94% | 0.941 | 84% | 0.842 | S | S | * | * | trans | -171.9 | 99.2 | 144.6 | -103 | -19.5 | 0 | 0 | 0 | 109.3 | ||||
| 352 | G | 30.5 | Very low | 29.3 | Very low | 67 Ų | 67 | 156.9 Ų | 156.9 | 69% | 0.691 | 84% | 0.84 | S | S | * | * | trans | 175.5 | 121.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.1 | M354 | G352-M354 PolarHBondContact O-N 2.84Š| ||
| 353 | Q | 30.1 | Very low | 29.2 | Very low | 202 Ų | 202 | 157 Ų | 157 | 94% | 0.944 | 84% | 0.84 | S | S | * | * | trans | -73.6 | 107.4 | -176.5 | -67.5 | 169.6 | -68.6 | 0 | 0 | 110.3 | ||||
| 354 | M | 25.5 | Very low | 29.1 | Very low | 183 Ų | 183 | 162.2 Ų | 162.2 | 90% | 0.901 | 85% | 0.849 | S | S | * | * | trans | -96.7 | 115 | 166 | -67.8 | -172.3 | 179.9 | 0 | 0 | 109.3 | G352 A356 | G352-M354 PolarHBondContact O-N 2.84Å; M354-A356 PolarHBondContact O-N 3.48Å | ||
| 355 | N | 29.2 | Very low | 29.2 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 130.9 | 166.4 | -79.8 | -20.8 | 0 | 0 | 0 | 109.1 | ||
| 356 | A | 28.9 | Very low | 29.3 | Very low | 94 Ų | 94 | 156.2 Ų | 156.2 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 139.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M354 | M354-A356 PolarHBondContact O-N 3.48Š|
| 357 | M | 24.5 | Very low | 29.3 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 95% | 0.951 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 138.3 | 172.4 | -75.1 | 173.1 | -96.4 | 0 | 0 | 111.3 | ||
| 358 | S | 27 | Very low | 29.4 | Very low | 109 Ų | 109 | 154.3 Ų | 154.3 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | -116.1 | 131.7 | 171.6 | -75.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 359 | Q | 28.8 | Very low | 29.3 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | 64.8 | 76.6 | 164.4 | -54.8 | -174.7 | 29.8 | 0 | 0 | 117.6 | N361 | Q359-N361 VanDerWaalsContact C-N 3.34Å; Q359-N361 PolarHBondContact O-N 3.41Å | ||
| 360 | M | 23.3 | Very low | 29.3 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -69 | 91 | 151.5 | -177.4 | -172.2 | -65.5 | 0 | 0 | 109.2 | L362 | M360-L362 PolarHBondContact O-N 2.89Š| ||
| 361 | N | 29.1 | Very low | 29.2 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | -72 | 110.1 | -179.9 | -92.2 | -47.9 | 0 | 0 | 0 | 111.7 | Q359 | Q359-N361 VanDerWaalsContact C-N 3.34Å; Q359-N361 PolarHBondContact O-N 3.41Å | ||
| 362 | L | 31 | Very low | 29.2 | Very low | 157 Ų | 157 | 147 Ų | 147 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -61.3 | 152.5 | 176.4 | -82.3 | 124.9 | 0 | 0 | 0 | 112.6 | M360 R364 | M360-L362 PolarHBondContact O-N 2.89Å; L362-R364 PolarHBondContact O-N 2.98Å | ||
| 363 | M | 26.8 | Very low | 29.1 | Very low | 188 Ų | 188 | 151.2 Ų | 151.2 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | trans | -64.2 | 87.9 | -177.7 | -69.4 | 169.7 | 58.5 | 0 | 0 | 113 | G365 | M363-G365 PolarHBondContact O-N 3.49Š| ||
| 364 | R | 27.3 | Very low | 29 | Very low | 253 Ų | 253 | 147.9 Ų | 147.9 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | trans | -80.5 | 91 | 162.5 | -93.5 | -174 | 172.3 | -115.5 | 1.3 | 110.6 | L362 | L362-R364 PolarHBondContact O-N 2.98Š| ||
| 365 | G | 28.7 | Very low | 29.2 | Very low | 47 Ų | 47 | 147.2 Ų | 147.2 | 49% | 0.485 | 80% | 0.804 | S | S | . | * | S | Bend | trans | -136.5 | 147.2 | 160 | 0 | 0 | 0 | 0 | 0 | 108.9 | M363 V367 | M363-G365 PolarHBondContact O-N 3.49Å; G365-V367 PolarHBondContact O-N 3.04Å |
| 366 | P | 33.3 | Very low | 29.1 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -68.2 | 115.2 | -176.5 | 27.2 | -33.4 | 0 | 0 | 0 | 111 | ||||
| 367 | V | 31.9 | Very low | 29.1 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -89.1 | 127.6 | 170.4 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | G365 | G365-V367 PolarHBondContact O-N 3.04Š| ||
| 368 | N | 33.1 | Very low | 29.1 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -73 | 130.2 | -175.9 | -166.9 | 5 | 0 | 0 | 0 | 110.8 | N370 | N368-N370 VanDerWaalsContact C-N 3.27Å; N368-N370 PolarHBondContact O-N 3.49Å; N368-N370 VanDerWaalsContact O-N 3.08Å | ||
| 369 | P | 31.7 | Very low | 29.2 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -15.3 | -167.6 | -27.2 | 36.7 | 0 | 0 | 0 | 117.8 | ||
| 370 | N | 32 | Very low | 29.1 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 23 | -163.8 | -73.2 | 0.2 | 0 | 0 | 0 | 115.6 | N368 | N368-N370 VanDerWaalsContact C-N 3.27Å; N368-N370 PolarHBondContact O-N 3.49Å; N368-N370 VanDerWaalsContact O-N 3.08Å |
| 371 | G | 33 | Very low | 29.2 | Very low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -106.6 | 101.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M373 | G371-M373 PolarHBondContact O-N 3.41Š| ||
| 372 | Q | 28.4 | Very low | 29.1 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | trans | -67.4 | 123.6 | 176.2 | -70.6 | -178.3 | -22.5 | 0 | 0 | 111.7 | ||||
| 373 | M | 28.3 | Very low | 28.9 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 77% | 0.768 | 79% | 0.786 | S | S | * | * | trans | -122.2 | 127 | 163.1 | -70.9 | -149.4 | -65.1 | 0 | 0 | 111 | G371 | G371-M373 PolarHBondContact O-N 3.41Š| ||
| 374 | N | 28 | Very low | 29 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -92 | 123.4 | -174.9 | -179.9 | 0.9 | 0 | 0 | 0 | 110.4 | ||||
| 375 | M | 28.3 | Very low | 29.2 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | trans | -118 | 111.2 | 170.6 | -71.9 | -166.4 | -177.5 | 0 | 0 | 110 | ||||
| 376 | N | 27.2 | Very low | 29.2 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -95.9 | 127.3 | 179.4 | -94.1 | -30.1 | 0 | 0 | 0 | 112.7 | ||||
| 377 | S | 28.6 | Very low | 29.1 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 63.3 | 107.2 | 156.9 | -60.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 378 | Y | 25 | Very low | 29.1 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 63% | 0.627 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 139.9 | 164.6 | -78.3 | -129.6 | 0 | 0 | 0 | 111.1 | ||
| 379 | G | 29.5 | Very low | 29.3 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -100 | 125.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 380 | Q | 26 | Very low | 29.1 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 152 | -177.3 | -59.4 | 179.9 | 9.2 | 0 | 0 | 112.6 | ||
| 381 | M | 25.6 | Very low | 29 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -154.6 | 166.9 | 142.6 | -118.1 | -179.9 | -71.6 | 0 | 0 | 111.7 | ||||
| 382 | N | 26.9 | Very low | 28.8 | Very low | 136 Ų | 136 | 152 Ų | 152 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -92.9 | 159.2 | -148.8 | -69.5 | -29.2 | 0 | 0 | 0 | 115.9 | ||||
| 383 | P | 27.8 | Very low | 28.6 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -72.5 | 161.1 | 172.9 | 32.2 | -37.2 | 0 | 0 | 0 | 113 | ||||
| 384 | M | 29.1 | Very low | 28.6 | Very low | 187 Ų | 187 | 151.9 Ų | 151.9 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -132.5 | 161 | 169.9 | -93.9 | -175.4 | -83.3 | 0 | 0 | 111.9 | ||||
| 385 | E | 30.5 | Very low | 28.5 | Very low | 186 Ų | 186 | 149.1 Ų | 149.1 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -85.4 | 154.1 | -151.9 | -57.5 | -179.7 | 127.1 | 0 | 0 | 116.2 | ||||
| 386 | P | 29.1 | Very low | 28.4 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -85.7 | 141 | 172.8 | 34.3 | -33.9 | 0 | 0 | 0 | 113.2 | ||||
| 387 | R | 31.7 | Very low | 28.4 | Very low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 82.8 | 172.6 | -111.3 | -178.5 | 177.7 | -173.6 | 0 | 113.8 | ||||
| 388 | N | 31.2 | Very low | 28.4 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | 31.7 | 153.9 | 125.6 | -130.5 | 28.4 | 0 | 0 | 0 | 120.9 | |||||
| 389 | P | 38.1 | Very low | 28.3 | Very low | 91 Ų | 91 | 148.3 Ų | 148.3 | 59% | 0.591 | 81% | 0.806 | S | S | * | * | -134.3 | 165 | -72 | 39.7 | -25.3 | 0 | 0 | 0 | 113.3 | |||||
| 390 | N | 26.7 | Very low | 28.2 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -176 | 141.8 | 142.6 | -100.8 | -28.1 | 0 | 0 | 0 | 110.8 | ||||
| 391 | G | 30.2 | Very low | 28.2 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 100.9 | 64.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 392 | Q | 28.8 | Very low | 28.1 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | 37.2 | 91.2 | 158.1 | -67.7 | 179.6 | -44.1 | 0 | 0 | 118.3 | ||||
| 393 | M | 24.1 | Very low | 28.2 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -86.4 | 133.2 | 151.4 | -63.1 | 180 | -173.5 | 0 | 0 | 109.6 | ||||
| 394 | N | 28.3 | Very low | 28.1 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | trans | -93.2 | 120.1 | 149.2 | -89.9 | -12.4 | 0 | 0 | 0 | 107 | ||||
| 395 | A | 27 | Very low | 27.8 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | trans | -123.5 | 138.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 396 | M | 24.5 | Very low | 27.7 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | 165.2 | 139.6 | 153.5 | -93.9 | 173.3 | -80.7 | 0 | 0 | 107.9 | ||||
| 397 | S | 28.7 | Very low | 27.6 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | cis | -149.9 | 139.4 | -0.3 | -90.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 398 | Q | 27 | Very low | 27.3 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 60% | 0.603 | 77% | 0.773 | S | S | * | * | trans | 44.5 | 112.1 | 140.8 | -53.6 | -177 | 16.6 | 0 | 0 | 121.2 | ||||
| 399 | M | 23.3 | Very low | 26.9 | Very low | 156 Ų | 156 | 135 Ų | 135 | 77% | 0.768 | 77% | 0.765 | S | S | * | * | 37.7 | 141.2 | 115.5 | -67.4 | 179.3 | 171.3 | 0 | 0 | 120 | |||||
| 400 | N | 27.1 | Very low | 26.2 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | -150.7 | 160.8 | 52.4 | -78.3 | -79.7 | 0 | 0 | 0 | 114.3 | |||||
| 401 | P | 26.8 | Very low | 26.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -85.2 | 168.6 | 172.3 | 36.4 | -36 | 0 | 0 | 0 | 114.1 | ||||
| 402 | M | 24.1 | Very low | 25.9 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | -12.8 | 122.6 | 175.3 | -64.5 | 177.6 | -70 | 0 | 0 | 119 | ||||
| 403 | G | 28.3 | Very low | 25.8 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -123.8 | 152.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 404 | Q | 26.2 | Very low | 25.9 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -89.4 | 170.6 | -169.1 | -69.1 | 178.8 | -6 | 0 | 0 | 114.4 | ||||
| 405 | M | 23.1 | Very low | 25.8 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | -55.4 | 154 | -178.4 | -53.9 | 168.3 | -170.5 | 0 | 0 | 114 | ||||
| 406 | N | 27.1 | Very low | 25.7 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | -159.3 | 135.6 | 127.4 | -98.8 | -37.2 | 0 | 0 | 0 | 110.6 | |||||
| 407 | S | 27.6 | Very low | 25.8 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -108.9 | 127.9 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 408 | M | 24.8 | Very low | 25.7 | Very low | 180 Ų | 180 | 141 Ų | 141 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | -146 | 114.2 | 150.1 | -95.6 | 176.4 | -78.4 | 0 | 0 | 105.4 | ||||
| 409 | C | 22.8 | Very low | 25.5 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | 83.9 | 116.6 | 66.5 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 410 | E | 24.6 | Very low | 25.5 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 69 | 152.7 | 148.2 | -62.5 | 167.7 | 143.7 | 0 | 0 | 116 | ||||
| 411 | M | 23.2 | Very low | 25.4 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -157.3 | 144.4 | -4.1 | -128.8 | 178.3 | -140.3 | 0 | 0 | 108.9 | ||||
| 412 | N | 26.4 | Very low | 25.6 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | 167.7 | 148.9 | 115.3 | -91.5 | -38.8 | 0 | 0 | 0 | 113.6 | |||||
| 413 | P | 27.2 | Very low | 25.7 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -101.7 | 116.1 | 172.8 | 35.5 | -27.1 | 0 | 0 | 0 | 112.4 | ||||
| 414 | M | 25.6 | Very low | 25.7 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | trans | -151.2 | 92.6 | 161.9 | -80.3 | -154.5 | -65.2 | 0 | 0 | 112.3 | Q416 M417 | M414-Q416 PolarHBondContact O-N 2.85Å; M414-M417 HydrophobicContact CE-CE 4.01Å; M414-M417 HydrophobicContact SD-CE 4.43Å | ||
| 415 | D | 26.6 | Very low | 25.6 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 95% | 0.952 | 76% | 0.755 | S | S | * | * | trans | -78.2 | 52.5 | 157.7 | -98.7 | -38.2 | 0 | 0 | 0 | 110.5 | ||||
| 416 | Q | 25.9 | Very low | 25.7 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -152.8 | 80.2 | 166.9 | -77 | -156 | 10.7 | 0 | 0 | 111 | M414 | M414-Q416 PolarHBondContact O-N 2.85Š| ||
| 417 | M | 26 | Very low | 25.7 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -157.2 | 151.6 | 141 | -123 | 162.5 | -76.6 | 0 | 0 | 112.8 | M414 | M414-M417 HydrophobicContact CE-CE 4.01Å; M414-M417 HydrophobicContact SD-CE 4.43Å | ||
| 418 | N | 25.6 | Very low | 25.7 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -73.8 | 160.9 | -170.5 | -113.7 | -40.1 | 0 | 0 | 0 | 113.6 | ||||
| 419 | L | 23 | Very low | 26 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | trans | 9.9 | 131.1 | 135.9 | -111.2 | 65.8 | 0 | 0 | 0 | 115.9 | ||||
| 420 | M | 24.1 | Very low | 26.2 | Very low | 150 Ų | 150 | 142 Ų | 142 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | 178.9 | 161.9 | 55.6 | -169.6 | 121.6 | 68.9 | 0 | 0 | 111.7 | |||||
| 421 | S | 25.6 | Very low | 26.4 | Very low | 72 Ų | 72 | 140 Ų | 140 | 50% | 0.503 | 77% | 0.765 | S | S | . | * | trans | 54.8 | 109.4 | 144.3 | 61.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 422 | H | 31.1 | Very low | 27 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | 149.8 | 98.5 | 114 | -75.9 | -60.2 | 0 | 0 | 0 | 109.1 | |||||
| 423 | I | 25.8 | Very low | 27 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 67% | 0.672 | 75% | 0.747 | S | S | * | * | 63.4 | 91.1 | 59.4 | -51 | 175.6 | 0 | 0 | 0 | 112.9 | |||||
| 424 | N | 26.9 | Very low | 27.3 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | 168.3 | 112.1 | 128 | -85.4 | -40.6 | 0 | 0 | 0 | 108.3 | |||||
| 425 | L | 25 | Very low | 27.6 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | 85.3 | 110.9 | 65.3 | -83.6 | 171.5 | 0 | 0 | 0 | 115 | |||||
| 426 | M | 24.5 | Very low | 27.9 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 89% | 0.892 | 75% | 0.754 | S | S | * | * | trans | 66.1 | 121.1 | 155.3 | -53.5 | -164.2 | -62.7 | 0 | 0 | 120.1 | ||||
| 427 | G | 28.5 | Very low | 28.1 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 165.6 | 111.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 428 | V | 26.7 | Very low | 28.5 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -105.6 | 168.4 | 179 | -119.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 429 | P | 30.7 | Very low | 28.8 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | -122.4 | 163.2 | -114.4 | 39.8 | -24.9 | 0 | 0 | 0 | 115.5 | |||||
| 430 | V | 27.2 | Very low | 29.2 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -140.6 | 149.1 | 166.2 | -164.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 431 | N | 29.2 | Very low | 29.8 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | -124.8 | -172 | -167.1 | -150.4 | 28 | 0 | 0 | 0 | 110.4 | ||||
| 432 | P | 35.7 | Very low | 30.1 | Very low | 57 Ų | 57 | 135.6 Ų | 135.6 | 37% | 0.37 | 78% | 0.777 | S | S | . | * | -129.2 | -160.2 | -93.6 | 43.2 | -27.7 | 0 | 0 | 0 | 115.9 | |||||
| 433 | N | 27.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 100.3 | 132.7 | 152.3 | -77.4 | -6 | 0 | 0 | 0 | 121 | ||||
| 434 | G | 32.6 | Very low | 30.6 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 166.8 | 79.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 435 | Q | 31.6 | Very low | 30.7 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -99.1 | 147.1 | 177.2 | -68.6 | -178.5 | -16.8 | 0 | 0 | 113 | ||||
| 436 | I | 33.2 | Very low | 31.1 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -141.7 | 148 | 151.3 | -57.8 | -174.4 | 0 | 0 | 0 | 110.4 | ||||
| 437 | N | 29.4 | Very low | 31.6 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -77.9 | 173.8 | -179.2 | -76.6 | -75.1 | 0 | 0 | 0 | 113.2 | ||||
| 438 | S | 34.3 | Very low | 31.8 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | cis | 179.7 | 151.9 | 47.4 | 56.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 439 | K | 31.7 | Very low | 31.9 | Very low | 198 Ų | 198 | 140 Ų | 140 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 46 | 134.2 | 143.8 | -56.9 | 175.6 | -178.9 | -179.5 | 0 | 119.6 | ||||
| 440 | V | 32.9 | Very low | 32 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | -169 | 152.6 | 66 | 162.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 441 | P | 36.6 | Very low | 32 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -112.8 | 163.3 | -175.9 | 41.1 | -33.5 | 0 | 0 | 0 | 117.1 | ||||
| 442 | V | 32.1 | Very low | 32.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | -142.9 | 165.5 | 168.3 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 443 | N | 29.8 | Very low | 31.7 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -103.7 | 174.3 | -155.1 | -111.9 | -1.4 | 0 | 0 | 0 | 117.4 | ||||
| 444 | P | 36.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 83% | 0.83 | S | S | * | * | trans | -107.9 | -178 | -164.4 | 42.7 | -38.9 | 0 | 0 | 0 | 116.9 | ||||
| 445 | M | 30.5 | Very low | 31.7 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 95% | 0.951 | 83% | 0.826 | S | S | * | * | trans | -129.2 | 177.7 | 166.5 | -70.6 | -163.6 | 75.6 | 0 | 0 | 113.3 | ||||
| 446 | K | 33 | Very low | 31.6 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | trans | -117.5 | 165.2 | -153.3 | -92.8 | -174.2 | 175.4 | -177.8 | 0 | 116.3 | ||||
| 447 | P | 34.1 | Very low | 31.3 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -96 | 174.9 | -173.2 | 39.6 | -38.2 | 0 | 0 | 0 | 115.1 | ||||
| 448 | V | 33.6 | Very low | 31.3 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -136.9 | 141.8 | 172.1 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 449 | N | 27.9 | Very low | 31 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -116.5 | 142.1 | 175.4 | -79.5 | -27.9 | 0 | 0 | 0 | 111.6 | ||||
| 450 | S | 32.8 | Very low | 30.9 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -179.7 | 128.5 | 143 | -77.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 451 | M | 27.1 | Very low | 30.8 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 70% | 0.704 | 83% | 0.832 | S | S | * | * | cis | 73.2 | 95.2 | 42.3 | -172.6 | 165.5 | 166.1 | 0 | 0 | 113.7 | ||||
| 452 | E | 31.2 | Very low | 30.5 | Very low | 193 Ų | 193 | 147.7 Ų | 147.7 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | -165.7 | 167.3 | 129 | -111.5 | 167.9 | -164.7 | 0 | 0 | 111 | |||||
| 453 | A | 27 | Very low | 30.4 | Very low | 95 Ų | 95 | 147.2 Ų | 147.2 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -130.4 | 141.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 454 | M | 32.5 | Very low | 30.4 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 98% | 0.975 | 83% | 0.825 | S | S | * | * | trans | -137.7 | 156.8 | 164.3 | -100.9 | -174.1 | -77.2 | 0 | 0 | 111.2 | ||||
| 455 | N | 28.4 | Very low | 30.4 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 83% | 0.832 | S | S | * | * | trans | -117.5 | 140.4 | -165.3 | 174.7 | 23.5 | 0 | 0 | 0 | 108.6 | ||||
| 456 | L | 29.5 | Very low | 30.3 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | 177.3 | 143.5 | 129.5 | -95.9 | 159.7 | 0 | 0 | 0 | 113.3 | |||||
| 457 | T | 25.6 | Very low | 30.5 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -68.9 | 141.1 | 169.7 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 458 | A | 30 | Very low | 30.4 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -148.3 | 149.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 459 | Q | 28.7 | Very low | 30.5 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -82.4 | 155.3 | -173.5 | -55.8 | 157.3 | 6.4 | 0 | 0 | 111.6 | ||||
| 460 | M | 29.4 | Very low | 30.9 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | -166.3 | 165.6 | 110 | -105.5 | -174.6 | -71.2 | 0 | 0 | 112.6 | |||||
| 461 | N | 30.9 | Very low | 30.9 | Very low | 158 Ų | 158 | 142 Ų | 142 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -101.8 | -174.1 | -164.3 | -73.2 | -37.1 | 0 | 0 | 0 | 113.6 | ||||
| 462 | A | 30.9 | Very low | 31.3 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | trans | 95.3 | 86.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 463 | T | 29 | Very low | 31.7 | Very low | 143 Ų | 143 | 140 Ų | 140 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | 49 | 103.6 | 124.4 | 56.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 464 | G | 30.4 | Very low | 32.5 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -120.2 | 119.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 465 | K | 34.9 | Very low | 33 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -118.1 | 109.6 | 167.6 | -96 | -170.4 | 175.4 | -178 | 0 | 109.9 | ||||
| 466 | T | 29.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 33.5 | 108.3 | 141.1 | 56.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 467 | N | 36.2 | Very low | 34.1 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | -172.3 | 137 | 103.7 | -87.6 | -9.7 | 0 | 0 | 0 | 111.5 | |||||
| 468 | P | 33.5 | Very low | 34.8 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -104.3 | 176.4 | 168.3 | 39.5 | -32.4 | 0 | 0 | 0 | 112.7 | ||||
| 469 | M | 35.6 | Very low | 35.6 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 73.6 | 139.9 | -179.5 | -56.8 | 174.7 | -175.7 | 0 | 0 | 115.4 | ||||
| 470 | E | 35.6 | Very low | 36.3 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | cis | -161.5 | 156.7 | -21.3 | -171.6 | 158.9 | -178.9 | 0 | 0 | 108.5 | ||||
| 471 | S | 32.4 | Very low | 36.7 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | 9.2 | 146.7 | 157.1 | -51.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 472 | T | 36.8 | Very low | 37 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | -165.3 | 149.6 | 14.4 | -4.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 473 | E | 39.8 | Very low | 37.2 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | 66.8 | 158.7 | 147.3 | -80.1 | 166.6 | -158.7 | 0 | 0 | 122.2 | ||||
| 474 | P | 44 | Very low | 37.8 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -121.3 | -164.5 | -157.9 | 45.2 | -32 | 0 | 0 | 0 | 113.7 | ||||
| 475 | M | 41.3 | Very low | 38.4 | Very low | 150 Ų | 150 | 138 Ų | 138 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | trans | 175.1 | 135.6 | 130.1 | -82.2 | -100 | -70.4 | 0 | 0 | 109.6 | ||||
| 476 | D | 42.1 | Very low | 38.6 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 50.3 | 151.1 | 147.9 | -44.7 | -22.7 | 0 | 0 | 0 | 120.2 | ||||
| 477 | E | 40.2 | Very low | 39.1 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | cis | -153.3 | 169.8 | -6.6 | -126.6 | -177.8 | 166.5 | 0 | 0 | 105.6 | ||||
| 478 | E | 40.2 | Very low | 39.3 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | cis | -142.6 | -125.8 | 10.5 | -162.5 | -130.1 | 81.5 | 0 | 0 | 110.4 | ||||
| 479 | H | 47.4 | Very low | 39.8 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -147.8 | -162.8 | -165.4 | -84.4 | -77.8 | 0 | 0 | 0 | 109.9 | ||||
| 480 | P | 43.2 | Very low | 40.3 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 58% | 0.584 | 75% | 0.752 | S | S | * | * | cis | -133 | -167.7 | -49.5 | 28.7 | -8.2 | 0 | 0 | 0 | 114.6 | ||||
| 481 | L | 37.8 | Very low | 40.6 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 85.9 | 146.2 | 156.5 | -43.6 | -176.8 | 0 | 0 | 0 | 118 | ||||
| 482 | L | 36.6 | Very low | 41 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | cis | -165.2 | 150.9 | -17.3 | -110.3 | 172.7 | 0 | 0 | 0 | 108.9 | ||||
| 483 | G | 36 | Very low | 41.7 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 144.1 | 129.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 484 | S | 41.4 | Very low | 41.7 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -110.2 | 162.1 | -169.3 | -55.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 485 | P | 43.1 | Very low | 41 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -103.6 | 169.2 | -175.3 | 40.1 | -35.9 | 0 | 0 | 0 | 115.3 | ||||
| 486 | S | 38.8 | Very low | 40.6 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -163.4 | 154.8 | 157.5 | -145.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 487 | E | 39.1 | Very low | 40 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 51.4 | 94.6 | 148.4 | -71.8 | 154.5 | 126.7 | 0 | 0 | 124.1 | ||||
| 488 | A | 41.1 | Very low | 39.5 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | 10.4 | 171.7 | 108.4 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 489 | P | 43.7 | Very low | 39.1 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -132.9 | -133.6 | -3.9 | 41.1 | -17.1 | 0 | 0 | 0 | 113.8 | ||||
| 490 | P | 45.6 | Very low | 38.5 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -128.5 | -179.2 | -132.2 | 40.1 | -17.5 | 0 | 0 | 0 | 117.7 | ||||
| 491 | L | 41.5 | Very low | 38.1 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | trans | -169.7 | 158 | 150 | -106.6 | 161.5 | 0 | 0 | 0 | 112.2 | ||||
| 492 | D | 41.7 | Very low | 37.8 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -110.7 | 171.2 | -164.9 | -110 | -20.6 | 0 | 0 | 0 | 114.5 | ||||
| 493 | P | 50.3 | Low | 37.6 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -99.8 | -171.6 | -154.9 | 41.1 | -41.8 | 0 | 0 | 0 | 116.1 | ||||
| 494 | P | 39.7 | Very low | 37.6 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -131.3 | 164.1 | 128.7 | 38.8 | -31 | 0 | 0 | 0 | 115 | |||||
| 495 | L | 30.3 | Very low | 37.2 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -77.8 | 141.9 | -178.6 | -61.3 | 138.8 | 0 | 0 | 0 | 113.4 | ||||
| 496 | T | 33.8 | Very low | 36.8 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | 178.4 | 123 | 118.2 | 31.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 497 | M | 28.2 | Very low | 36.3 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 36.7 | 110.5 | 145.7 | -54.2 | -61.8 | -65.9 | 0 | 0 | 122.3 | ||||
| 498 | P | 30.5 | Very low | 36.1 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | -107.3 | 162.1 | 123.4 | 38.1 | -32.6 | 0 | 0 | 0 | 109.6 | |||||
| 499 | I | 30.9 | Very low | 35.5 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | cis | 77.5 | 135.2 | 31.1 | -56.4 | -177.6 | 0 | 0 | 0 | 113.3 | ||||
| 500 | D | 35.6 | Very low | 34.9 | Very low | 137 Ų | 137 | 140 Ų | 140 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 65.4 | 120.5 | -171.3 | -56.6 | -35.6 | 0 | 0 | 0 | 113.9 | ||||
| 501 | L | 33.4 | Very low | 34.1 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | 68.7 | 93 | 65.4 | -71.4 | 171.4 | 0 | 0 | 0 | 112.6 | |||||
| 502 | D | 32.5 | Very low | 33.6 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | -172.5 | 177.3 | 124.6 | -92 | -15.7 | 0 | 0 | 0 | 110.4 | |||||
| 503 | D | 32.3 | Very low | 32.9 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -64.3 | 134.1 | -165.6 | -61.2 | -65.1 | 0 | 0 | 0 | 116.1 | ||||
| 504 | D | 36.6 | Very low | 31.9 | Very low | 167 Ų | 167 | 141 Ų | 141 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -162 | 128.3 | 137 | -122.6 | -25 | 0 | 0 | 0 | 111.2 | ||||
| 505 | L | 33.1 | Very low | 31.4 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -111.8 | 111 | -171.9 | -168.3 | 84 | 0 | 0 | 0 | 112 | D507 | L505-D507 PolarHBondContact O-N 3.46Š| ||
| 506 | P | 33.2 | Very low | 31.3 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -84.8 | 111.1 | 168.2 | 31.8 | -30.4 | 0 | 0 | 0 | 110.7 | ||||
| 507 | D | 28.8 | Very low | 31.2 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -63.3 | 160.3 | 166.5 | -103.8 | -44.2 | 0 | 0 | 0 | 112.2 | L505 | L505-D507 PolarHBondContact O-N 3.46Š| ||
| 508 | V | 34.5 | Very low | 31.4 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 74.2 | 113.7 | 173.2 | -166 | 0 | 0 | 0 | 0 | 116.8 | V510 | V508-V510 PolarHBondContact O-N 3.22Š|
| 509 | P | 30 | Very low | 31.4 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -71.3 | 129.4 | 165.3 | 30.1 | -33 | 0 | 0 | 0 | 111 | Y511 | P509-Y511 HydrophobicContact CG-CE2 4.34Å; P509-Y511 PolarHBondContact O-N 3.47Å | ||
| 510 | V | 30.3 | Very low | 31.6 | Very low | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -71.4 | 94.9 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 111 | V508 Y512 | V508-V510 PolarHBondContact O-N 3.22Å; V510-Y512 PolarHBondContact O-N 2.89Å | ||
| 511 | Y | 28.7 | Very low | 31.3 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -70.6 | 119.6 | 170.6 | -92.4 | -92.9 | 0 | 0 | 0 | 111.2 | P509 G513 | P509-Y511 HydrophobicContact CG-CE2 4.34Å; P509-Y511 PolarHBondContact O-N 3.47Å; Y511-G513 PolarHBondContact O-N 2.92Å | ||
| 512 | Y | 31.7 | Very low | 31.4 | Very low | 221 Ų | 221 | 139.6 Ų | 139.6 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -59.7 | 133.3 | 165.3 | -82.3 | -97.6 | 0 | 0 | 0 | 110 | V510 A514 | V510-Y512 PolarHBondContact O-N 2.89Å; Y512-A514 PolarHBondContact O-N 3.32Å | ||
| 513 | G | 26.9 | Very low | 31.9 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -72 | 108.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y511 | Y511-G513 PolarHBondContact O-N 2.92Š| ||
| 514 | A | 28.5 | Very low | 32.1 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 63% | 0.628 | 73% | 0.73 | S | S | * | * | trans | -60.7 | 151.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y512 R516 | Y512-A514 PolarHBondContact O-N 3.32Å; A514-R516 PolarHBondContact O-N 3.42Å | ||
| 515 | P | 28.8 | Very low | 32 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | trans | -58.2 | 104.2 | -178.3 | -26.5 | 35.9 | 0 | 0 | 0 | 113.4 | D517 | P515-D517 PolarHBondContact O-N 2.88Å; P515-D517 VanDerWaalsContact O-N 3.11Å | ||
| 516 | R | 28.2 | Very low | 32.3 | Very low | 245 Ų | 245 | 126.2 Ų | 126.2 | 93% | 0.925 | 69% | 0.686 | S | S | * | * | trans | -77.5 | 90.5 | 178.6 | -70.5 | -173.8 | 176.6 | -163.8 | -0 | 111.3 | A514 | A514-R516 PolarHBondContact O-N 3.42Š| ||
| 517 | D | 32 | Very low | 32.4 | Very low | 85 Ų | 85 | 125.4 Ų | 125.4 | 46% | 0.455 | 67% | 0.671 | S | S | . | * | trans | -151 | 21.1 | 169.9 | -138.3 | -6.2 | 0 | 0 | 0 | 114.8 | P515 T519 K520 | P515-D517 PolarHBondContact O-N 2.88Å; P515-D517 VanDerWaalsContact O-N 3.11Å; D517-T519 PolarHBondContact O-N 3.47Å; D517-K520 VanDerWaalsContact CG-NZ 3.3Å; D517-K520 WeakPolarHBondContact OD1-CD 3.41Å; D517-K520 WeakPolarHBondContact OD1-CE 3.47Å; D517-K520 WeakPolarHBondContact OD1-CG 3.33Å; D517-K520 IonicContact OD1-NZ 2.66Å; D517-K520 PolarHBondContact OD1-NZ 2.97Å; D517-K520 WeakPolarHBondContact OD2-CE 3.3Å; D517-K520 IonicContact OD2-NZ 3.93Å; D517-K520 PolarHBondContact OD2-NZ 3.36Å | ||
| 518 | L | 32.4 | Very low | 33 | Very low | 177 Ų | 177 | 121.5 Ų | 121.5 | 93% | 0.927 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 6.4 | 177.5 | -74.9 | 166.2 | 0 | 0 | 0 | 113.9 | ||
| 519 | T | 31.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 82% | 0.822 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 4.2 | 179.5 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | D517 | D517-T519 PolarHBondContact O-N 3.47Š|
| 520 | K | 34.3 | Very low | 33.8 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | trans | -73.1 | 136.2 | 175.1 | -83.7 | 175.5 | 176.6 | 159.6 | 0 | 110.8 | D517 | D517-K520 VanDerWaalsContact CG-NZ 3.3Å; D517-K520 WeakPolarHBondContact OD1-CD 3.41Å; D517-K520 WeakPolarHBondContact OD1-CE 3.47Å; D517-K520 WeakPolarHBondContact OD1-CG 3.33Å; D517-K520 IonicContact OD1-NZ 2.66Å; D517-K520 PolarHBondContact OD1-NZ 2.97Å; D517-K520 WeakPolarHBondContact OD2-CE 3.3Å; D517-K520 IonicContact OD2-NZ 3.93Å; D517-K520 PolarHBondContact OD2-NZ 3.36Å | ||
| 521 | P | 30.2 | Very low | 34.4 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 71% | 0.708 | 60% | 0.603 | S | S | * | * | trans | -62.7 | 166.5 | 172.2 | 28.9 | -35.3 | 0 | 0 | 0 | 110.7 | T523 | P521-T523 PolarHBondContact O-N 2.91Š| ||
| 522 | L | 35.1 | Very low | 34.8 | Very low | 109 Ų | 109 | 107.4 Ų | 107.4 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | trans | -44.2 | 125.4 | 169.1 | -69.1 | 167.7 | 0 | 0 | 0 | 109.1 | V526 E527 | L522-V526 HydrophobicContact CB-CB 4.46Å; L522-V526 HydrophobicContact CD2-CB 4.44Å; L522-V526 HydrophobicContact CD2-CG1 4.05Å; L522-E527 HydrophobicContact CB-CG 4.46Å | ||
| 523 | T | 43.8 | Very low | 35.2 | Very low | 78 Ų | 78 | 98.4 Ų | 98.4 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | trans | -61.4 | 150.7 | -177.2 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | P521 Y525 V526 E527 | P521-T523 PolarHBondContact O-N 2.91Å; T523-Y525 CarbonylContact O-C 3.58Å; T523-Y525 PolarHBondContact O-N 3.39Å; T523-V526 PolarHBondContact O-N 2.89Å; T523-E527 PolarHBondContact O-N 3.47Å | ||
| 524 | P | 36.7 | Very low | 35.7 | Very low | 106 Ų | 106 | 97 Ų | 97 | 69% | 0.688 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.2 | -22.2 | 178 | -28.7 | 35.8 | 0 | 0 | 0 | 113.4 | S528 | P524-S528 VanDerWaalsContact O-CB 3.24Å; P524-S528 WeakPolarHBondContact O-CB 3.14Å; P524-S528 PolarHBondContact O-N 3.03Å; P524-S528 PolarHBondContact O-OG 3.24Å |
| 525 | Y | 33.7 | Very low | 36.1 | Very low | 140 Ų | 140 | 101.8 Ų | 101.8 | 55% | 0.549 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 169.3 | -174.5 | -113 | 0 | 0 | 0 | 112.7 | T523 S528 L529 | T523-Y525 CarbonylContact O-C 3.58Å; T523-Y525 PolarHBondContact O-N 3.39Å; Y525-S528 PolarHBondContact O-N 3.14Å; Y525-S528 PolarHBondContact O-OG 3.28Å; Y525-L529 HydrophobicContact CD1-CD1 3.95Å; Y525-L529 HydrophobicContact CE1-CD1 3.6Å; Y525-L529 HydrophobicContact CE1-CG 4.49Å; Y525-L529 WeakPolarHBondContact O-CG 3.39Å; Y525-L529 PolarHBondContact O-N 2.91Å |
| 526 | V | 39.5 | Very low | 36.5 | Very low | 32 Ų | 32 | 101.6 Ų | 101.6 | 19% | 0.194 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 179.5 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | L522 T523 S528 L529 I530 | L522-V526 HydrophobicContact CB-CB 4.46Å; L522-V526 HydrophobicContact CD2-CB 4.44Å; L522-V526 HydrophobicContact CD2-CG1 4.05Å; T523-V526 PolarHBondContact O-N 2.89Å; V526-S528 VanDerWaalsContact C-N 3.31Å; V526-S528 PolarHBondContact O-N 3.05Å; V526-L529 PolarHBondContact O-N 3.19Å; V526-I530 HydrophobicContact CG1-CD1 4.13Å; V526-I530 WeakPolarHBondContact O-CG1 3.33Å; V526-I530 PolarHBondContact O-N 3.18Å |
| 527 | E | 35.6 | Very low | 37 | Very low | 105 Ų | 105 | 95.9 Ų | 95.9 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 170.4 | -65.9 | -166.7 | 147.1 | 0 | 0 | 111.8 | L522 T523 L529 I530 Q531 | L522-E527 HydrophobicContact CB-CG 4.46Å; T523-E527 PolarHBondContact O-N 3.47Å; E527-L529 VanDerWaalsContact C-N 3.32Å; E527-L529 PolarHBondContact O-N 3.17Å; E527-I530 PolarHBondContact O-N 3.36Å; E527-Q531 WeakPolarHBondContact O-CB 3.31Å; E527-Q531 WeakPolarHBondContact O-CG 3.47Å; E527-Q531 PolarHBondContact O-N 3.29Å |
| 528 | S | 40.8 | Very low | 37.3 | Very low | 59 Ų | 59 | 100.2 Ų | 100.2 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -34.6 | 176.2 | 80.2 | 0 | 0 | 0 | 0 | 112.7 | P524 Y525 V526 A532 | P524-S528 VanDerWaalsContact O-CB 3.24Å; P524-S528 WeakPolarHBondContact O-CB 3.14Å; P524-S528 PolarHBondContact O-N 3.03Å; P524-S528 PolarHBondContact O-OG 3.24Å; Y525-S528 PolarHBondContact O-N 3.14Å; Y525-S528 PolarHBondContact O-OG 3.28Å; V526-S528 VanDerWaalsContact C-N 3.31Å; V526-S528 PolarHBondContact O-N 3.05Å; S528-A532 WeakPolarHBondContact O-CB 3.22Å; S528-A532 PolarHBondContact O-N 3.37Å |
| 529 | L | 39.7 | Very low | 37.6 | Very low | 49 Ų | 49 | 94.2 Ų | 94.2 | 26% | 0.257 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 174.3 | -71.5 | 172 | 0 | 0 | 0 | 111.9 | Y525 V526 E527 A532 S533 L582 | Y525-L529 HydrophobicContact CD1-CD1 3.95Å; Y525-L529 HydrophobicContact CE1-CD1 3.6Å; Y525-L529 HydrophobicContact CE1-CG 4.49Å; Y525-L529 WeakPolarHBondContact O-CG 3.39Å; Y525-L529 PolarHBondContact O-N 2.91Å; V526-L529 PolarHBondContact O-N 3.19Å; E527-L529 VanDerWaalsContact C-N 3.32Å; E527-L529 PolarHBondContact O-N 3.17Å; L529-A532 PolarHBondContact O-N 3.09Å; L529-S533 WeakPolarHBondContact O-CB 3.33Å; L529-S533 PolarHBondContact O-N 3.37Å; L529-L582 HydrophobicContact CD2-CD1 4.46Å; L529-L582 HydrophobicContact CD2-CD2 4.5Å |
| 530 | I | 41.1 | Very low | 37.8 | Very low | 66 Ų | 66 | 88.6 Ų | 88.6 | 34% | 0.338 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.4 | -51.6 | 173.8 | -67.8 | 165.7 | 0 | 0 | 0 | 109.5 | V526 E527 A532 S533 V534 | V526-I530 HydrophobicContact CG1-CD1 4.13Å; V526-I530 WeakPolarHBondContact O-CG1 3.33Å; V526-I530 PolarHBondContact O-N 3.18Å; E527-I530 PolarHBondContact O-N 3.36Å; I530-A532 VanDerWaalsContact C-N 3.32Å; I530-A532 PolarHBondContact O-N 2.61Å; I530-S533 PolarHBondContact O-N 2.89Å; I530-S533 VanDerWaalsContact O-N 3.16Å; I530-S533 PolarHBondContact O-OG 3.3Å; I530-V534 WeakPolarHBondContact O-CG2 3.34Å; I530-V534 PolarHBondContact O-N 2.93Å |
| 531 | Q | 42.8 | Very low | 37.9 | Very low | 103 Ų | 103 | 86 Ų | 86 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 176.1 | -72.8 | -167.4 | 32.4 | 0 | 0 | 112.6 | E527 V534 R535 | E527-Q531 WeakPolarHBondContact O-CB 3.31Å; E527-Q531 WeakPolarHBondContact O-CG 3.47Å; E527-Q531 PolarHBondContact O-N 3.29Å; Q531-V534 PolarHBondContact O-N 3.12Å; Q531-R535 WeakPolarHBondContact O-CB 3.44Å; Q531-R535 VanDerWaalsContact O-CG 3.29Å; Q531-R535 WeakPolarHBondContact O-CG 3.31Å; Q531-R535 PolarHBondContact O-N 3.4Å |
| 532 | A | 38.7 | Very low | 38.1 | Very low | 42 Ų | 42 | 83.5 Ų | 83.5 | 35% | 0.347 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S528 L529 I530 V534 R535 L536 | S528-A532 WeakPolarHBondContact O-CB 3.22Å; S528-A532 PolarHBondContact O-N 3.37Å; L529-A532 PolarHBondContact O-N 3.09Å; I530-A532 VanDerWaalsContact C-N 3.32Å; I530-A532 PolarHBondContact O-N 2.61Å; A532-V534 PolarHBondContact O-N 3.2Å; A532-R535 PolarHBondContact O-N 2.84Å; A532-L536 VanDerWaalsContact O-CB 3.27Å; A532-L536 WeakPolarHBondContact O-CB 3.43Å; A532-L536 WeakPolarHBondContact O-CD1 3.42Å; A532-L536 WeakPolarHBondContact O-CG 3.43Å; A532-L536 PolarHBondContact O-N 3.38Å |
| 533 | S | 38.4 | Very low | 38.2 | Very low | 32 Ų | 32 | 81.9 Ų | 81.9 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.2 | 79.1 | 0 | 0 | 0 | 0 | 112.3 | L529 I530 L536 R537 | L529-S533 WeakPolarHBondContact O-CB 3.33Å; L529-S533 PolarHBondContact O-N 3.37Å; I530-S533 PolarHBondContact O-N 2.89Å; I530-S533 VanDerWaalsContact O-N 3.16Å; I530-S533 PolarHBondContact O-OG 3.3Å; S533-L536 PolarHBondContact O-N 2.84Å; S533-R537 WeakPolarHBondContact O-CG 3.43Å; S533-R537 PolarHBondContact O-N 3.47Å |
| 534 | V | 39.4 | Very low | 37.7 | Very low | 47 Ų | 47 | 85.9 Ų | 85.9 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | I530 Q531 A532 L536 R537 R538 | I530-V534 WeakPolarHBondContact O-CG2 3.34Å; I530-V534 PolarHBondContact O-N 2.93Å; Q531-V534 PolarHBondContact O-N 3.12Å; A532-V534 PolarHBondContact O-N 3.2Å; V534-L536 VanDerWaalsContact C-N 3.31Å; V534-L536 PolarHBondContact O-N 3.38Å; V534-R537 PolarHBondContact O-N 2.97Å; V534-R538 WeakPolarHBondContact O-CB 3.48Å; V534-R538 WeakPolarHBondContact O-CG 3.47Å; V534-R538 PolarHBondContact O-N 2.88Å |
| 535 | R | 36.4 | Very low | 37.4 | Very low | 176 Ų | 176 | 88.4 Ų | 88.4 | 66% | 0.664 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.2 | -37 | 175.8 | -74.7 | 179.5 | -175.7 | -167.6 | 4.3 | 112.4 | Q531 A532 N539 | Q531-R535 WeakPolarHBondContact O-CB 3.44Å; Q531-R535 VanDerWaalsContact O-CG 3.29Å; Q531-R535 WeakPolarHBondContact O-CG 3.31Å; Q531-R535 PolarHBondContact O-N 3.4Å; A532-R535 PolarHBondContact O-N 2.84Å; R535-N539 PolarHBondContact O-N 3.25Å |
| 536 | L | 36.7 | Very low | 37.4 | Very low | 100 Ų | 100 | 89.2 Ų | 89.2 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.2 | -53 | 175.2 | -76.4 | 167.2 | 0 | 0 | 0 | 110.2 | A532 S533 V534 R538 N539 R575 | A532-L536 VanDerWaalsContact O-CB 3.27Å; A532-L536 WeakPolarHBondContact O-CB 3.43Å; A532-L536 WeakPolarHBondContact O-CD1 3.42Å; A532-L536 WeakPolarHBondContact O-CG 3.43Å; A532-L536 PolarHBondContact O-N 3.38Å; S533-L536 PolarHBondContact O-N 2.84Å; V534-L536 VanDerWaalsContact C-N 3.31Å; V534-L536 PolarHBondContact O-N 3.38Å; L536-R538 PolarHBondContact O-N 3.37Å; L536-N539 CarbonylContact O-C 3.53Å; L536-N539 VanDerWaalsContact O-C 3.25Å; L536-N539 PolarHBondContact O-N 3.15Å; L536-N539 VanDerWaalsContact O-N 3.14Å; L536-R575 PolarHBondContact O-NH1 3.09Å; L536-R575 PolarHBondContact O-NH2 2.76Å |
| 537 | R | 39 | Very low | 36.8 | Very low | 125 Ų | 125 | 95.6 Ų | 95.6 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -49.1 | -56.8 | 175.3 | -76.1 | -167.9 | -128.6 | -176.5 | 0.6 | 111.5 | S533 V534 N539 E555 | S533-R537 WeakPolarHBondContact O-CG 3.43Å; S533-R537 PolarHBondContact O-N 3.47Å; V534-R537 PolarHBondContact O-N 2.97Å; R537-N539 PolarHBondContact O-N 2.94Å; R537-N539 VanDerWaalsContact O-N 3.1Å; R537-E555 IonicContact NH1-OE1 3.57Å |
| 538 | R | 37.4 | Very low | 36.7 | Very low | 176 Ų | 176 | 95.3 Ų | 95.3 | 66% | 0.664 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -13.6 | -177.5 | -72.5 | -177.4 | 167.6 | -177.6 | -6.4 | 115.4 | V534 L536 | V534-R538 WeakPolarHBondContact O-CB 3.48Å; V534-R538 WeakPolarHBondContact O-CG 3.47Å; V534-R538 PolarHBondContact O-N 2.88Å; L536-R538 PolarHBondContact O-N 3.37Å |
| 539 | N | 39.6 | Very low | 36.3 | Very low | 51 Ų | 51 | 100 Ų | 100 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | trans | -146.3 | 88.2 | 177.4 | -167 | -19.8 | 0 | 0 | 0 | 111.7 | R535 L536 R537 L541 G542 L543 | R535-N539 PolarHBondContact O-N 3.25Å; L536-N539 CarbonylContact O-C 3.53Å; L536-N539 VanDerWaalsContact O-C 3.25Å; L536-N539 PolarHBondContact O-N 3.15Å; L536-N539 VanDerWaalsContact O-N 3.14Å; R537-N539 PolarHBondContact O-N 2.94Å; R537-N539 VanDerWaalsContact O-N 3.1Å; N539-L541 VanDerWaalsContact C-N 3.26Å; N539-L541 PolarHBondContact O-N 2.82Å; N539-L541 PolarHBondContact OD1-N 3.39Å; N539-G542 WeakPolarHBondContact OD1-CA 3.42Å; N539-G542 PolarHBondContact OD1-N 3.1Å; N539-L543 PolarHBondContact ND2-N 3.48Å; N539-L543 PolarHBondContact ND2-O 3.16Å; N539-L543 PolarHBondContact OD1-N 2.91Å; N539-L543 VanDerWaalsContact OD1-N 3.1Å | ||
| 540 | P | 35.4 | Very low | 36 | Very low | 16 Ų | 16 | 102.5 Ų | 102.5 | 10% | 0.104 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.1 | -178.4 | 23.5 | -32.3 | 0 | 0 | 0 | 115.5 | F558 M572 | P540-F558 HydrophobicContact CG-CD2 4.43Å; P540-F558 HydrophobicContact CG-CE2 4.16Å; P540-M572 HydrophobicContact CB-CE 3.64Å; P540-M572 HydrophobicContact CG-CE 4.22Å |
| 541 | L | 35.3 | Very low | 35.8 | Very low | 84 Ų | 84 | 107 Ų | 107 | 44% | 0.44 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.6 | -2.4 | -172 | -61 | 177.6 | 0 | 0 | 0 | 113.8 | N539 L543 F558 L571 | N539-L541 VanDerWaalsContact C-N 3.26Å; N539-L541 PolarHBondContact O-N 2.82Å; N539-L541 PolarHBondContact OD1-N 3.39Å; L541-L543 HydrophobicContact CB-CD1 3.75Å; L541-L543 HydrophobicContact CB-CG 3.75Å; L541-L543 HydrophobicContact CD1-CD1 3.8Å; L541-L543 HydrophobicContact CG-CD1 4.44Å; L541-L543 PolarHBondContact O-N 2.8Å; L541-F558 HydrophobicContact CD1-CE2 4.07Å; L541-F558 HydrophobicContact CD1-CZ 3.77Å; L541-L571 HydrophobicContact CD2-CD1 3.97Å |
| 542 | G | 35.1 | Very low | 35.6 | Very low | 58 Ų | 58 | 106.4 Ų | 106.4 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | trans | 64.7 | 21.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N539 | N539-G542 WeakPolarHBondContact OD1-CA 3.42Å; N539-G542 PolarHBondContact OD1-N 3.1Å | ||
| 543 | L | 36.9 | Very low | 35.5 | Very low | 74 Ų | 74 | 111.4 Ų | 111.4 | 39% | 0.387 | 59% | 0.591 | S | S | . | * | trans | -79.7 | 123.4 | -176.5 | -68.7 | 171.7 | 0 | 0 | 0 | 110.1 | N539 L541 F545 | N539-L543 PolarHBondContact ND2-N 3.48Å; N539-L543 PolarHBondContact ND2-O 3.16Å; N539-L543 PolarHBondContact OD1-N 2.91Å; N539-L543 VanDerWaalsContact OD1-N 3.1Å; L541-L543 HydrophobicContact CB-CD1 3.75Å; L541-L543 HydrophobicContact CB-CG 3.75Å; L541-L543 HydrophobicContact CD1-CD1 3.8Å; L541-L543 HydrophobicContact CG-CD1 4.44Å; L541-L543 PolarHBondContact O-N 2.8Å; L543-F545 HydrophobicContact CB-CD2 3.83Å; L543-F545 HydrophobicContact CB-CE2 3.48Å; L543-F545 VanDerWaalsContact CB-CE2 3.48Å; L543-F545 HydrophobicContact CB-CZ 4.09Å; L543-F545 HydrophobicContact CD1-CE2 3.65Å; L543-F545 HydrophobicContact CD1-CZ 3.8Å; L543-F545 HydrophobicContact CG-CE2 4.21Å; L543-F545 PolarHBondContact O-N 3.1Å | ||
| 544 | N | 33.2 | Very low | 35.5 | Very low | 162 Ų | 162 | 114.9 Ų | 114.9 | 87% | 0.866 | 61% | 0.607 | S | S | * | * | trans | -74.7 | 74.5 | 175.9 | -68.8 | -29.1 | 0 | 0 | 0 | 110.5 | ||||
| 545 | F | 31.2 | Very low | 35.5 | Very low | 160 Ų | 160 | 118.7 Ų | 118.7 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | trans | -70.4 | 144.5 | 166.1 | -68.8 | -65.5 | 0 | 0 | 0 | 110.2 | L543 | L543-F545 HydrophobicContact CB-CD2 3.83Å; L543-F545 HydrophobicContact CB-CE2 3.48Å; L543-F545 VanDerWaalsContact CB-CE2 3.48Å; L543-F545 HydrophobicContact CB-CZ 4.09Å; L543-F545 HydrophobicContact CD1-CE2 3.65Å; L543-F545 HydrophobicContact CD1-CZ 3.8Å; L543-F545 HydrophobicContact CG-CE2 4.21Å; L543-F545 PolarHBondContact O-N 3.1Å | ||
| 546 | I | 33.4 | Very low | 36.2 | Very low | 157 Ų | 157 | 113 Ų | 113 | 81% | 0.805 | 60% | 0.604 | S | S | * | * | trans | -73.2 | 147 | -167.5 | -65.9 | 161.1 | 0 | 0 | 0 | 109.7 | S548 | I546-S548 PolarHBondContact O-N 2.98Å; I546-S548 VanDerWaalsContact O-N 3.11Å | ||
| 547 | N | 27.4 | Very low | 36.9 | Very low | 165 Ų | 165 | 111.8 Ų | 111.8 | 88% | 0.882 | 60% | 0.601 | S | S | * | * | trans | -58.1 | 115.5 | 177 | -54.3 | -49.2 | 0 | 0 | 0 | 110.5 | ||||
| 548 | S | 32.1 | Very low | 37.3 | Very low | 100 Ų | 100 | 107 Ų | 107 | 70% | 0.699 | 58% | 0.584 | S | S | * | * | trans | -141.4 | 100.8 | 163.6 | 59.5 | 0 | 0 | 0 | 0 | 108.4 | I546 | I546-S548 PolarHBondContact O-N 2.98Å; I546-S548 VanDerWaalsContact O-N 3.11Å | ||
| 549 | D | 34 | Very low | 37.7 | Very low | 157 Ų | 157 | 101.4 Ų | 101.4 | 84% | 0.84 | 58% | 0.575 | S | S | * | * | trans | 46.7 | 140.5 | 155.8 | -52.8 | -27.1 | 0 | 0 | 0 | 121.1 | ||||
| 550 | S | 32.5 | Very low | 38 | Very low | 101 Ų | 101 | 105.1 Ų | 105.1 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -66.1 | 176.2 | -179.7 | -45.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 551 | D | 36 | Very low | 38.6 | Very low | 162 Ų | 162 | 108.8 Ų | 108.8 | 87% | 0.866 | 61% | 0.611 | S | S | * | * | trans | 80 | 33.8 | 157.1 | -44.5 | -24.9 | 0 | 0 | 0 | 117.3 | ||||
| 552 | S | 39.6 | Very low | 39.3 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 63% | 0.629 | 63% | 0.633 | S | S | * | * | trans | -125.7 | 115.9 | 154.4 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | D554 | S552-D554 PolarHBondContact O-N 3.34Å; S552-D554 VanDerWaalsContact O-N 3.09Å | ||
| 553 | D | 35.9 | Very low | 39.7 | Very low | 146 Ų | 146 | 115.8 Ų | 115.8 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | trans | -84.4 | 47.4 | 174.8 | -73.1 | -53.2 | 0 | 0 | 0 | 112.1 | E555 | D553-E555 VanDerWaalsContact C-N 3.27Å; D553-E555 PolarHBondContact O-N 3.4Å | ||
| 554 | D | 39 | Very low | 40.9 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 56% | 0.561 | 65% | 0.646 | S | S | * | * | trans | -72.5 | 82.2 | 169.4 | -85.2 | 7.8 | 0 | 0 | 0 | 109.1 | S552 N560 | S552-D554 PolarHBondContact O-N 3.34Å; S552-D554 VanDerWaalsContact O-N 3.09Å; D554-N560 PolarHBondContact OD2-ND2 3.46Å | ||
| 555 | E | 39.6 | Very low | 42.2 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 59% | 0.593 | 62% | 0.622 | S | S | * | * | trans | -54.9 | 141 | 160.5 | -83.2 | -77.4 | -163.8 | 0 | 0 | 109.2 | R537 D553 | R537-E555 IonicContact NH1-OE1 3.57Å; D553-E555 VanDerWaalsContact C-N 3.27Å; D553-E555 PolarHBondContact O-N 3.4Å | ||
| 556 | D | 50.9 | Low | 43.1 | Very low | 56 Ų | 56 | 115 Ų | 115 | 30% | 0.299 | 63% | 0.634 | S | S | . | * | S | Bend | trans | 62.7 | 100.2 | -171.9 | -125.1 | -8.9 | 0 | 0 | 0 | 115.5 | F558 A559 Y568 | D556-F558 PolarHBondContact O-N 3.32Å; D556-A559 HydrophobicContact CB-CB 3.74Å; D556-A559 PolarHBondContact O-N 3.2Å; D556-Y568 PolarHBondContact OD1-OH 3.14Å; D556-Y568 PolarHBondContact OD2-OH 2.92Å |
| 557 | T | 50.5 | Low | 44.4 | Very low | 75 Ų | 75 | 109.2 Ų | 109.2 | 46% | 0.46 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.4 | -4.3 | 172.3 | -29.6 | 0 | 0 | 0 | 0 | 114.2 | Q561 | T557-Q561 PolarHBondContact O-NE2 3.28Š|
| 558 | F | 47.6 | Very low | 45.9 | Very low | 26 Ų | 26 | 102.1 Ų | 102.1 | 11% | 0.114 | 57% | 0.574 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -121.6 | -1.9 | 177.4 | -68.1 | -86.2 | 0 | 0 | 0 | 114 | P540 L541 D556 N560 Q561 P565 Y568 | P540-F558 HydrophobicContact CG-CD2 4.43Å; P540-F558 HydrophobicContact CG-CE2 4.16Å; L541-F558 HydrophobicContact CD1-CE2 4.07Å; L541-F558 HydrophobicContact CD1-CZ 3.77Å; D556-F558 PolarHBondContact O-N 3.32Å; F558-N560 VanDerWaalsContact C-N 3.31Å; F558-N560 PolarHBondContact O-N 3.42Å; F558-Q561 HydrophobicContact CD1-CB 4.47Å; F558-Q561 VanDerWaalsContact CD1-CD 3.46Å; F558-Q561 HydrophobicContact CD1-CG 4.41Å; F558-Q561 VanDerWaalsContact CD1-NE2 3.26Å; F558-Q561 PolarHBondContact O-N 2.98Å; F558-Q561 VanDerWaalsContact O-N 3.07Å; F558-P565 HydrophobicContact CD1-CG 3.9Å; F558-P565 HydrophobicContact CE1-CG 3.47Å; F558-P565 VanDerWaalsContact CE1-CG 3.47Å; F558-P565 HydrophobicContact CZ-CG 4.03Å; F558-Y568 HydrophobicContact CB-CD2 4.39Å; F558-Y568 HydrophobicContact CB-CE2 3.8Å; F558-Y568 HydrophobicContact CD2-CD2 4.19Å; F558-Y568 AromaticContact CD2-CE2 3.82Å; F558-Y568 HydrophobicContact CD2-CE2 3.82Å; F558-Y568 HydrophobicContact CG-CD2 4.25Å; F558-Y568 AromaticContact CG-CE2 3.97Å; F558-Y568 HydrophobicContact CG-CE2 3.97Å |
| 559 | A | 46.9 | Very low | 47.3 | Very low | 57 Ų | 57 | 102 Ų | 102 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D556 Q561 | D556-A559 HydrophobicContact CB-CB 3.74Å; D556-A559 PolarHBondContact O-N 3.2Å; A559-Q561 PolarHBondContact O-N 2.88Å |
| 560 | N | 46.3 | Very low | 48.5 | Very low | 129 Ų | 129 | 101.7 Ų | 101.7 | 69% | 0.69 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 8.1 | 176.2 | -69 | -29.7 | 0 | 0 | 0 | 113.5 | D554 F558 | D554-N560 PolarHBondContact OD2-ND2 3.46Å; F558-N560 VanDerWaalsContact C-N 3.31Å; F558-N560 PolarHBondContact O-N 3.42Å |
| 561 | Q | 47.5 | Very low | 49.7 | Very low | 93 Ų | 93 | 100.9 Ų | 100.9 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | trans | -108.8 | 120.7 | 174.4 | -62.5 | -176 | 47.4 | 0 | 0 | 110.5 | T557 F558 A559 L563 | T557-Q561 PolarHBondContact O-NE2 3.28Å; F558-Q561 HydrophobicContact CD1-CB 4.47Å; F558-Q561 VanDerWaalsContact CD1-CD 3.46Å; F558-Q561 HydrophobicContact CD1-CG 4.41Å; F558-Q561 VanDerWaalsContact CD1-NE2 3.26Å; F558-Q561 PolarHBondContact O-N 2.98Å; F558-Q561 VanDerWaalsContact O-N 3.07Å; A559-Q561 PolarHBondContact O-N 2.88Å; Q561-L563 PolarHBondContact O-N 3.47Å | ||
| 562 | T | 49.1 | Very low | 50.9 | Low | 148 Ų | 148 | 95.3 Ų | 95.3 | 91% | 0.908 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -65.6 | -7.6 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 563 | L | 44 | Very low | 51.8 | Low | 142 Ų | 142 | 93 Ų | 93 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -127.8 | 101 | -179.8 | -64.4 | 174.6 | 0 | 0 | 0 | 110.2 | Q561 | Q561-L563 PolarHBondContact O-N 3.47Š|
| 564 | R | 61.5 | Low | 52.7 | Low | 136 Ų | 136 | 94.4 Ų | 94.4 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 132.8 | 169.2 | -67.3 | -177.6 | 176.1 | -166.4 | -6.2 | 109.7 | Y568 E569 | R564-Y568 HydrophobicContact CB-CD1 4.24Å; R564-Y568 HydrophobicContact CB-CG 4.23Å; R564-Y568 HydrophobicContact CG-CD1 4.23Å; R564-Y568 HydrophobicContact CG-CE1 4.49Å; R564-E569 WeakPolarHBondContact CD-OE1 3.25Å; R564-E569 IonicContact CZ-OE1 3.09Å; R564-E569 IonicContact NE-OE1 3.56Å; R564-E569 IonicContact NH1-OE1 3.66Å; R564-E569 PolarHBondContact NH1-OE1 3.43Å; R564-E569 IonicContact NH1-OE2 2.61Å |
| 565 | P | 61.6 | Low | 53.1 | Low | 56 Ų | 56 | 92.2 Ų | 92.2 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 149.6 | 177.5 | -27.1 | 34.5 | 0 | 0 | 0 | 113.6 | F558 G567 Y568 | F558-P565 HydrophobicContact CD1-CG 3.9Å; F558-P565 HydrophobicContact CE1-CG 3.47Å; F558-P565 VanDerWaalsContact CE1-CG 3.47Å; F558-P565 HydrophobicContact CZ-CG 4.03Å; P565-G567 PolarHBondContact O-N 2.76Å; P565-G567 VanDerWaalsContact O-N 3.13Å; P565-Y568 WeakPolarHBondContact O-CB 3.36Å; P565-Y568 PolarHBondContact O-N 3.27Å |
| 566 | I | 49.9 | Very low | 54 | Low | 187 Ų | 187 | 91.4 Ų | 91.4 | 96% | 0.959 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 121.2 | 173.8 | -61.6 | 176.4 | 0 | 0 | 0 | 109 | ||
| 567 | G | 61.6 | Low | 54 | Low | 35 Ų | 35 | 93.2 Ų | 93.2 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 1.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P565 E569 M570 L571 | P565-G567 PolarHBondContact O-N 2.76Å; P565-G567 VanDerWaalsContact O-N 3.13Å; G567-E569 PolarHBondContact O-N 2.76Å; G567-M570 WeakPolarHBondContact O-CB 3.4Å; G567-M570 PolarHBondContact O-N 3.49Å; G567-L571 PolarHBondContact O-N 3.46Å |
| 568 | Y | 57.8 | Low | 54.2 | Low | 16 Ų | 16 | 93.6 Ų | 93.6 | 6% | 0.063 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -51.4 | -52.2 | 175.4 | 173.2 | -85.7 | 0 | 0 | 0 | 112.1 | D556 F558 R564 P565 M570 L571 M572 | D556-Y568 PolarHBondContact OD1-OH 3.14Å; D556-Y568 PolarHBondContact OD2-OH 2.92Å; F558-Y568 HydrophobicContact CB-CD2 4.39Å; F558-Y568 HydrophobicContact CB-CE2 3.8Å; F558-Y568 HydrophobicContact CD2-CD2 4.19Å; F558-Y568 AromaticContact CD2-CE2 3.82Å; F558-Y568 HydrophobicContact CD2-CE2 3.82Å; F558-Y568 HydrophobicContact CG-CD2 4.25Å; F558-Y568 AromaticContact CG-CE2 3.97Å; F558-Y568 HydrophobicContact CG-CE2 3.97Å; R564-Y568 HydrophobicContact CB-CD1 4.24Å; R564-Y568 HydrophobicContact CB-CG 4.23Å; R564-Y568 HydrophobicContact CG-CD1 4.23Å; R564-Y568 HydrophobicContact CG-CE1 4.49Å; P565-Y568 WeakPolarHBondContact O-CB 3.36Å; P565-Y568 PolarHBondContact O-N 3.27Å; Y568-M570 PolarHBondContact O-N 2.7Å; Y568-L571 WeakPolarHBondContact O-CB 3.28Å; Y568-L571 PolarHBondContact O-N 3.1Å; Y568-L571 VanDerWaalsContact O-N 3.1Å; Y568-M572 HydrophobicContact CD1-CG 4.32Å; Y568-M572 HydrophobicContact CD2-CE 3.8Å; Y568-M572 HydrophobicContact CE1-CE 4.46Å; Y568-M572 HydrophobicContact CE1-CG 3.88Å; Y568-M572 HydrophobicContact CE2-CE 3.36Å; Y568-M572 HydrophobicContact CE2-CG 4.42Å; Y568-M572 HydrophobicContact CG-CE 4.5Å; Y568-M572 WeakPolarHBondContact O-CG 3.36Å; Y568-M572 PolarHBondContact O-N 3.16Å |
| 569 | E | 60.7 | Low | 54.3 | Low | 99 Ų | 99 | 96 Ų | 96 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.2 | -36.4 | 177.2 | -52.4 | -54.5 | 147.6 | 0 | 0 | 112.4 | R564 G567 M572 A573 | R564-E569 WeakPolarHBondContact CD-OE1 3.25Å; R564-E569 IonicContact CZ-OE1 3.09Å; R564-E569 IonicContact NE-OE1 3.56Å; R564-E569 IonicContact NH1-OE1 3.66Å; R564-E569 PolarHBondContact NH1-OE1 3.43Å; R564-E569 IonicContact NH1-OE2 2.61Å; G567-E569 PolarHBondContact O-N 2.76Å; E569-M572 PolarHBondContact O-N 2.75Å; E569-A573 VanDerWaalsContact O-CB 3.23Å; E569-A573 WeakPolarHBondContact O-CB 3.37Å; E569-A573 PolarHBondContact O-N 3.18Å |
| 570 | M | 59.3 | Low | 54.3 | Low | 150 Ų | 150 | 96.3 Ų | 96.3 | 74% | 0.739 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.9 | -30.3 | -179.2 | -159.6 | 175.1 | 71.9 | 0 | 0 | 111.9 | G567 Y568 R574 | G567-M570 WeakPolarHBondContact O-CB 3.4Å; G567-M570 PolarHBondContact O-N 3.49Å; Y568-M570 PolarHBondContact O-N 2.7Å; M570-R574 VanDerWaalsContact O-CB 3.31Å; M570-R574 WeakPolarHBondContact O-CB 3.02Å; M570-R574 PolarHBondContact O-N 2.76Å; M570-R574 VanDerWaalsContact O-N 3.09Å |
| 571 | L | 58.8 | Low | 54.3 | Low | 84 Ų | 84 | 94.9 Ų | 94.9 | 44% | 0.44 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69 | -44.9 | 169.7 | -107.8 | 159.4 | 0 | 0 | 0 | 111.2 | L541 G567 Y568 R574 R575 | L541-L571 HydrophobicContact CD2-CD1 3.97Å; G567-L571 PolarHBondContact O-N 3.46Å; Y568-L571 WeakPolarHBondContact O-CB 3.28Å; Y568-L571 PolarHBondContact O-N 3.1Å; Y568-L571 VanDerWaalsContact O-N 3.1Å; L571-R574 PolarHBondContact O-N 3.37Å; L571-R575 VanDerWaalsContact O-CB 3.28Å; L571-R575 WeakPolarHBondContact O-CB 3.48Å; L571-R575 PolarHBondContact O-N 3.48Å |
| 572 | M | 60.9 | Low | 54.5 | Low | 44 Ų | 44 | 93.8 Ų | 93.8 | 22% | 0.217 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 177.1 | -62.3 | -44.2 | 153.1 | 0 | 0 | 112.1 | P540 Y568 E569 R574 R575 H576 | P540-M572 HydrophobicContact CB-CE 3.64Å; P540-M572 HydrophobicContact CG-CE 4.22Å; Y568-M572 HydrophobicContact CD1-CG 4.32Å; Y568-M572 HydrophobicContact CD2-CE 3.8Å; Y568-M572 HydrophobicContact CE1-CE 4.46Å; Y568-M572 HydrophobicContact CE1-CG 3.88Å; Y568-M572 HydrophobicContact CE2-CE 3.36Å; Y568-M572 HydrophobicContact CE2-CG 4.42Å; Y568-M572 HydrophobicContact CG-CE 4.5Å; Y568-M572 WeakPolarHBondContact O-CG 3.36Å; Y568-M572 PolarHBondContact O-N 3.16Å; E569-M572 PolarHBondContact O-N 2.75Å; M572-R574 VanDerWaalsContact C-N 3.32Å; M572-R574 PolarHBondContact O-N 3.13Å; M572-R575 PolarHBondContact O-N 3.23Å; M572-H576 VanDerWaalsContact O-CB 3.25Å; M572-H576 WeakPolarHBondContact O-CB 3.3Å; M572-H576 PolarHBondContact O-N 2.97Å |
| 573 | A | 58.3 | Low | 54.5 | Low | 42 Ų | 42 | 90.6 Ų | 90.6 | 35% | 0.347 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E569 H576 N577 | E569-A573 VanDerWaalsContact O-CB 3.23Å; E569-A573 WeakPolarHBondContact O-CB 3.37Å; E569-A573 PolarHBondContact O-N 3.18Å; A573-H576 PolarHBondContact O-N 2.84Å; A573-N577 VanDerWaalsContact O-CG 3.23Å; A573-N577 PolarHBondContact O-N 3.41Å; A573-N577 PolarHBondContact O-ND2 3.24Å |
| 574 | R | 55 | Low | 54.4 | Low | 176 Ų | 176 | 85.8 Ų | 85.8 | 66% | 0.664 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.3 | -46.8 | 175.5 | -172.9 | 167.1 | -167.3 | 146.9 | 11.5 | 112 | M570 L571 M572 H576 N577 D578 | M570-R574 VanDerWaalsContact O-CB 3.31Å; M570-R574 WeakPolarHBondContact O-CB 3.02Å; M570-R574 PolarHBondContact O-N 2.76Å; M570-R574 VanDerWaalsContact O-N 3.09Å; L571-R574 PolarHBondContact O-N 3.37Å; M572-R574 VanDerWaalsContact C-N 3.32Å; M572-R574 PolarHBondContact O-N 3.13Å; R574-H576 VanDerWaalsContact C-N 3.3Å; R574-H576 PolarHBondContact O-N 3.33Å; R574-N577 WeakPolarHBondContact O-CB 3.36Å; R574-N577 PolarHBondContact O-N 3.22Å; R574-D578 PolarHBondContact O-N 2.86Å |
| 575 | R | 48.2 | Very low | 53.8 | Low | 59 Ų | 59 | 84.1 Ų | 84.1 | 22% | 0.223 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 175.8 | 168.1 | 176.7 | -77.1 | -156.8 | -16.3 | 112.8 | L536 L571 M572 D578 N579 | L536-R575 PolarHBondContact O-NH1 3.09Å; L536-R575 PolarHBondContact O-NH2 2.76Å; L571-R575 VanDerWaalsContact O-CB 3.28Å; L571-R575 WeakPolarHBondContact O-CB 3.48Å; L571-R575 PolarHBondContact O-N 3.48Å; M572-R575 PolarHBondContact O-N 3.23Å; R575-D578 PolarHBondContact O-N 3.22Å; R575-N579 VanDerWaalsContact O-CB 3.31Å; R575-N579 WeakPolarHBondContact O-CB 3.46Å; R575-N579 PolarHBondContact O-N 3.14Å |
| 576 | H | 57.2 | Low | 53.3 | Low | 110 Ų | 110 | 84.3 Ų | 84.3 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 175.9 | -177.2 | 88.9 | 0 | 0 | 0 | 110.6 | M572 A573 R574 N579 I580 | M572-H576 VanDerWaalsContact O-CB 3.25Å; M572-H576 WeakPolarHBondContact O-CB 3.3Å; M572-H576 PolarHBondContact O-N 2.97Å; A573-H576 PolarHBondContact O-N 2.84Å; R574-H576 VanDerWaalsContact C-N 3.3Å; R574-H576 PolarHBondContact O-N 3.33Å; H576-N579 PolarHBondContact O-N 3.46Å; H576-I580 WeakPolarHBondContact NE2-CD1 3.1Å; H576-I580 WeakPolarHBondContact O-CG1 3.36Å; H576-I580 PolarHBondContact O-N 3.14Å |
| 577 | N | 52.3 | Low | 53.1 | Low | 93 Ų | 93 | 80.7 Ų | 80.7 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 173.3 | -67 | -26.5 | 0 | 0 | 0 | 112.4 | A573 R574 N579 I580 E581 | A573-N577 VanDerWaalsContact O-CG 3.23Å; A573-N577 PolarHBondContact O-N 3.41Å; A573-N577 PolarHBondContact O-ND2 3.24Å; R574-N577 WeakPolarHBondContact O-CB 3.36Å; R574-N577 PolarHBondContact O-N 3.22Å; N577-N579 PolarHBondContact O-N 3.15Å; N577-I580 PolarHBondContact O-N 3.04Å; N577-E581 WeakPolarHBondContact O-CB 3.43Å; N577-E581 PolarHBondContact O-N 2.81Å |
| 578 | D | 53.4 | Low | 52.2 | Low | 83 Ų | 83 | 83 Ų | 83 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.5 | -35.9 | 177.3 | -63.3 | -20.5 | 0 | 0 | 0 | 111.1 | R574 R575 L582 | R574-D578 PolarHBondContact O-N 2.86Å; R575-D578 PolarHBondContact O-N 3.22Å; D578-L582 PolarHBondContact O-N 2.79Å; D578-L582 VanDerWaalsContact O-N 3.09Å |
| 579 | N | 49.7 | Very low | 51.7 | Low | 76 Ų | 76 | 87 Ų | 87 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73 | -42.2 | 176.3 | -169.5 | 35 | 0 | 0 | 0 | 112.7 | R575 H576 N577 E581 L582 I583 | R575-N579 VanDerWaalsContact O-CB 3.31Å; R575-N579 WeakPolarHBondContact O-CB 3.46Å; R575-N579 PolarHBondContact O-N 3.14Å; H576-N579 PolarHBondContact O-N 3.46Å; N577-N579 PolarHBondContact O-N 3.15Å; N579-E581 VanDerWaalsContact C-N 3.29Å; N579-E581 PolarHBondContact O-N 3.35Å; N579-L582 WeakPolarHBondContact O-CB 3.4Å; N579-L582 PolarHBondContact O-N 3.44Å; N579-I583 WeakPolarHBondContact O-CG1 3.29Å; N579-I583 PolarHBondContact O-N 3.23Å |
| 580 | I | 48 | Very low | 51 | Low | 64 Ų | 64 | 86 Ų | 86 | 33% | 0.328 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 172.5 | -73.4 | 170.6 | 0 | 0 | 0 | 110.6 | H576 N577 L582 I583 S584 | H576-I580 WeakPolarHBondContact NE2-CD1 3.1Å; H576-I580 WeakPolarHBondContact O-CG1 3.36Å; H576-I580 PolarHBondContact O-N 3.14Å; N577-I580 PolarHBondContact O-N 3.04Å; I580-L582 VanDerWaalsContact C-N 3.33Å; I580-L582 PolarHBondContact O-N 2.68Å; I580-I583 PolarHBondContact O-N 3.48Å; I580-S584 VanDerWaalsContact O-CB 3.29Å; I580-S584 WeakPolarHBondContact O-CB 3.42Å; I580-S584 PolarHBondContact O-N 3.28Å; I580-S584 PolarHBondContact O-OG 2.76Å |
| 581 | E | 46.6 | Very low | 50.2 | Low | 100 Ų | 100 | 81.9 Ų | 81.9 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 176.8 | -157.1 | -158.9 | -178.7 | 0 | 0 | 111.5 | N577 N579 R585 | N577-E581 WeakPolarHBondContact O-CB 3.43Å; N577-E581 PolarHBondContact O-N 2.81Å; N579-E581 VanDerWaalsContact C-N 3.29Å; N579-E581 PolarHBondContact O-N 3.35Å; E581-R585 WeakPolarHBondContact O-CB 3.45Å; E581-R585 PolarHBondContact O-N 3.31Å; E581-R585 IonicContact OE1-CZ 3.72Å; E581-R585 IonicContact OE1-NH1 3.7Å; E581-R585 PolarHBondContact OE1-NH1 2.77Å; E581-R585 IonicContact OE1-NH2 3.83Å; E581-R585 IonicContact OE2-CZ 2.74Å; E581-R585 IonicContact OE2-NH1 2.69Å; E581-R585 PolarHBondContact OE2-NH1 3.27Å; E581-R585 IonicContact OE2-NH2 2.72Å; E581-R585 PolarHBondContact OE2-NH2 3.36Å |
| 582 | L | 51.5 | Low | 49.5 | Very low | 70 Ų | 70 | 80.8 Ų | 80.8 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 174.8 | -162.3 | 95.7 | 0 | 0 | 0 | 112.3 | L529 D578 N579 I580 S584 R585 H586 | L529-L582 HydrophobicContact CD2-CD1 4.46Å; L529-L582 HydrophobicContact CD2-CD2 4.5Å; D578-L582 PolarHBondContact O-N 2.79Å; D578-L582 VanDerWaalsContact O-N 3.09Å; N579-L582 WeakPolarHBondContact O-CB 3.4Å; N579-L582 PolarHBondContact O-N 3.44Å; I580-L582 VanDerWaalsContact C-N 3.33Å; I580-L582 PolarHBondContact O-N 2.68Å; L582-S584 VanDerWaalsContact C-N 3.3Å; L582-S584 PolarHBondContact O-N 2.75Å; L582-R585 PolarHBondContact O-N 3.35Å; L582-H586 PolarHBondContact O-N 3.44Å |
| 583 | I | 47.8 | Very low | 48.8 | Very low | 81 Ų | 81 | 83.4 Ų | 83.4 | 42% | 0.415 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.6 | -67 | 165 | 0 | 0 | 0 | 110.8 | N579 I580 H586 H587 | N579-I583 WeakPolarHBondContact O-CG1 3.29Å; N579-I583 PolarHBondContact O-N 3.23Å; I580-I583 PolarHBondContact O-N 3.48Å; I583-H586 PolarHBondContact O-N 3.19Å; I583-H587 PolarHBondContact O-N 2.76Å; I583-H587 PolarHBondContact O-ND1 2.73Å |
| 584 | S | 41.5 | Very low | 48.1 | Very low | 40 Ų | 40 | 87.9 Ų | 87.9 | 28% | 0.28 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | I580 L582 H586 H587 Q588 | I580-S584 VanDerWaalsContact O-CB 3.29Å; I580-S584 WeakPolarHBondContact O-CB 3.42Å; I580-S584 PolarHBondContact O-N 3.28Å; I580-S584 PolarHBondContact O-OG 2.76Å; L582-S584 VanDerWaalsContact C-N 3.3Å; L582-S584 PolarHBondContact O-N 2.75Å; S584-H586 VanDerWaalsContact C-N 3.34Å; S584-H586 PolarHBondContact O-N 3.49Å; S584-H587 PolarHBondContact O-N 3.09Å; S584-Q588 PolarHBondContact O-N 3.17Å |
| 585 | R | 49.7 | Very low | 47.5 | Very low | 102 Ų | 102 | 83.5 Ų | 83.5 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 172.6 | -84.3 | -174.1 | -77.8 | -105.3 | -5.4 | 111.8 | E581 L582 H587 Q588 E589 | E581-R585 WeakPolarHBondContact O-CB 3.45Å; E581-R585 PolarHBondContact O-N 3.31Å; E581-R585 IonicContact OE1-CZ 3.72Å; E581-R585 IonicContact OE1-NH1 3.7Å; E581-R585 PolarHBondContact OE1-NH1 2.77Å; E581-R585 IonicContact OE1-NH2 3.83Å; E581-R585 IonicContact OE2-CZ 2.74Å; E581-R585 IonicContact OE2-NH1 2.69Å; E581-R585 PolarHBondContact OE2-NH1 3.27Å; E581-R585 IonicContact OE2-NH2 2.72Å; E581-R585 PolarHBondContact OE2-NH2 3.36Å; L582-R585 PolarHBondContact O-N 3.35Å; R585-H587 PolarHBondContact O-N 2.78Å; R585-Q588 WeakPolarHBondContact O-CB 3.48Å; R585-Q588 PolarHBondContact O-N 2.8Å; R585-E589 WeakPolarHBondContact O-CG 3.44Å; R585-E589 PolarHBondContact O-N 3.44Å |
| 586 | H | 51.7 | Low | 47.1 | Very low | 60 Ų | 60 | 89 Ų | 89 | 28% | 0.278 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 178.8 | -169.2 | 62 | 0 | 0 | 0 | 112.6 | L582 I583 S584 Q588 E589 Q590 | L582-H586 PolarHBondContact O-N 3.44Å; I583-H586 PolarHBondContact O-N 3.19Å; S584-H586 VanDerWaalsContact C-N 3.34Å; S584-H586 PolarHBondContact O-N 3.49Å; H586-Q588 VanDerWaalsContact C-N 3.34Å; H586-Q588 PolarHBondContact O-N 3.21Å; H586-E589 IonicContact ND1-OE2 2.68Å; H586-E589 PolarHBondContact O-N 2.88Å; H586-Q590 PolarHBondContact CE1-NE2 3.4Å; H586-Q590 PolarHBondContact NE2-NE2 2.98Å; H586-Q590 VanDerWaalsContact O-CG 3.25Å; H586-Q590 WeakPolarHBondContact O-CG 3.46Å; H586-Q590 PolarHBondContact O-N 3.43Å |
| 587 | H | 44.9 | Very low | 46.3 | Very low | 111 Ų | 111 | 87.2 Ų | 87.2 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 173.6 | -79.5 | 82.1 | 0 | 0 | 0 | 112.3 | I583 S584 R585 Q590 V591 | I583-H587 PolarHBondContact O-N 2.76Å; I583-H587 PolarHBondContact O-ND1 2.73Å; S584-H587 PolarHBondContact O-N 3.09Å; R585-H587 PolarHBondContact O-N 2.78Å; H587-Q590 PolarHBondContact O-N 3.42Å; H587-V591 WeakPolarHBondContact O-CG2 3.43Å; H587-V591 PolarHBondContact O-N 2.79Å |
| 588 | Q | 44 | Very low | 45.8 | Very low | 84 Ų | 84 | 87.4 Ų | 87.4 | 39% | 0.393 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 174.8 | -172 | 179.7 | 6.7 | 0 | 0 | 111.7 | S584 R585 H586 Q590 V591 V592 F695 | S584-Q588 PolarHBondContact O-N 3.17Å; R585-Q588 WeakPolarHBondContact O-CB 3.48Å; R585-Q588 PolarHBondContact O-N 2.8Å; H586-Q588 VanDerWaalsContact C-N 3.34Å; H586-Q588 PolarHBondContact O-N 3.21Å; Q588-Q590 PolarHBondContact O-N 3.48Å; Q588-V591 PolarHBondContact O-N 2.95Å; Q588-V592 WeakPolarHBondContact O-CG2 3.2Å; Q588-V592 PolarHBondContact O-N 3.38Å; Q588-F695 HydrophobicContact CG-CZ 4.17Å |
| 589 | E | 46.3 | Very low | 45.4 | Very low | 99 Ų | 99 | 86.7 Ų | 86.7 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 174.7 | -72.4 | 171.1 | 171.7 | 0 | 0 | 112 | R585 H586 V591 V592 L593 | R585-E589 WeakPolarHBondContact O-CG 3.44Å; R585-E589 PolarHBondContact O-N 3.44Å; H586-E589 IonicContact ND1-OE2 2.68Å; H586-E589 PolarHBondContact O-N 2.88Å; E589-V591 PolarHBondContact O-N 3.08Å; E589-V592 PolarHBondContact O-N 2.73Å; E589-L593 WeakPolarHBondContact O-CB 3.38Å; E589-L593 PolarHBondContact O-N 2.61Å |
| 590 | Q | 45.5 | Very low | 45.1 | Very low | 79 Ų | 79 | 86.5 Ų | 86.5 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 177.1 | -68.5 | -72.6 | -1.1 | 0 | 0 | 112.6 | H586 H587 Q588 K594 | H586-Q590 PolarHBondContact CE1-NE2 3.4Å; H586-Q590 PolarHBondContact NE2-NE2 2.98Å; H586-Q590 VanDerWaalsContact O-CG 3.25Å; H586-Q590 WeakPolarHBondContact O-CG 3.46Å; H586-Q590 PolarHBondContact O-N 3.43Å; H587-Q590 PolarHBondContact O-N 3.42Å; Q588-Q590 PolarHBondContact O-N 3.48Å; Q590-K594 WeakPolarHBondContact O-CG 3.2Å; Q590-K594 PolarHBondContact O-N 3.3Å |
| 591 | V | 42.3 | Very low | 44.8 | Very low | 62 Ų | 62 | 86.4 Ų | 86.4 | 38% | 0.376 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | H587 Q588 E589 L593 K594 V595 | H587-V591 WeakPolarHBondContact O-CG2 3.43Å; H587-V591 PolarHBondContact O-N 2.79Å; Q588-V591 PolarHBondContact O-N 2.95Å; E589-V591 PolarHBondContact O-N 3.08Å; V591-L593 VanDerWaalsContact C-N 3.28Å; V591-L593 PolarHBondContact O-N 3.31Å; V591-K594 PolarHBondContact O-N 2.72Å; V591-V595 HydrophobicContact CG1-CG2 4.45Å; V591-V595 WeakPolarHBondContact O-CG2 3.44Å; V591-V595 PolarHBondContact O-N 3.05Å |
| 592 | V | 44.9 | Very low | 44.8 | Very low | 62 Ų | 62 | 85.7 Ų | 85.7 | 38% | 0.376 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | Q588 E589 V595 R596 | Q588-V592 WeakPolarHBondContact O-CG2 3.2Å; Q588-V592 PolarHBondContact O-N 3.38Å; E589-V592 PolarHBondContact O-N 2.73Å; V592-V595 PolarHBondContact O-N 2.93Å; V592-R596 WeakPolarHBondContact O-CB 3.3Å; V592-R596 WeakPolarHBondContact O-CG 3.22Å; V592-R596 PolarHBondContact O-N 3.41Å |
| 593 | L | 46.2 | Very low | 44.6 | Very low | 99 Ų | 99 | 88 Ų | 88 | 52% | 0.518 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 175.3 | -174.1 | 63.9 | 0 | 0 | 0 | 112 | E589 V591 R596 T597 | E589-L593 WeakPolarHBondContact O-CB 3.38Å; E589-L593 PolarHBondContact O-N 2.61Å; V591-L593 VanDerWaalsContact C-N 3.28Å; V591-L593 PolarHBondContact O-N 3.31Å; L593-R596 PolarHBondContact O-N 3.07Å; L593-T597 PolarHBondContact O-N 3.05Å; L593-T597 PolarHBondContact O-OG1 3.49Å |
| 594 | K | 43.4 | Very low | 44.7 | Very low | 136 Ų | 136 | 88.9 Ų | 88.9 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 174.8 | -75.4 | 175.4 | -179.9 | -179.6 | 0 | 112.5 | Q590 V591 T597 N598 | Q590-K594 WeakPolarHBondContact O-CG 3.2Å; Q590-K594 PolarHBondContact O-N 3.3Å; V591-K594 PolarHBondContact O-N 2.72Å; K594-T597 WeakPolarHBondContact CA-OG1 3.26Å; K594-T597 PolarHBondContact O-OG1 3.27Å; K594-N598 WeakPolarHBondContact O-CB 3.41Å; K594-N598 VanDerWaalsContact O-CG 3.29Å; K594-N598 PolarHBondContact O-N 3.13Å |
| 595 | V | 42 | Very low | 44.9 | Very low | 84 Ų | 84 | 92.8 Ų | 92.8 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | V591 V592 T597 N598 T599 | V591-V595 HydrophobicContact CG1-CG2 4.45Å; V591-V595 WeakPolarHBondContact O-CG2 3.44Å; V591-V595 PolarHBondContact O-N 3.05Å; V592-V595 PolarHBondContact O-N 2.93Å; V595-T597 PolarHBondContact O-N 3.22Å; V595-N598 PolarHBondContact O-N 3.01Å; V595-T599 PolarHBondContact O-N 3.08Å; V595-T599 PolarHBondContact O-OG1 3.28Å; V595-T599 VanDerWaalsContact O-OG1 3.11Å |
| 596 | R | 40.1 | Very low | 44.8 | Very low | 174 Ų | 174 | 97.1 Ų | 97.1 | 66% | 0.657 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 179.2 | -75 | 177 | 178.7 | -164.6 | 0.3 | 113.2 | V592 L593 T599 V600 | V592-R596 WeakPolarHBondContact O-CB 3.3Å; V592-R596 WeakPolarHBondContact O-CG 3.22Å; V592-R596 PolarHBondContact O-N 3.41Å; L593-R596 PolarHBondContact O-N 3.07Å; R596-T599 PolarHBondContact O-N 3.39Å; R596-V600 WeakPolarHBondContact O-CG2 3.14Å; R596-V600 PolarHBondContact O-N 3.29Å |
| 597 | T | 41.6 | Very low | 44.6 | Very low | 72 Ų | 72 | 99.2 Ų | 99.2 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 176.4 | 43.9 | 0 | 0 | 0 | 0 | 111.4 | L593 K594 V595 T599 V600 V601 | L593-T597 PolarHBondContact O-N 3.05Å; L593-T597 PolarHBondContact O-OG1 3.49Å; K594-T597 WeakPolarHBondContact CA-OG1 3.26Å; K594-T597 PolarHBondContact O-OG1 3.27Å; V595-T597 PolarHBondContact O-N 3.22Å; T597-T599 PolarHBondContact O-N 3.25Å; T597-V600 PolarHBondContact O-N 2.86Å; T597-V601 WeakPolarHBondContact O-CB 3.24Å; T597-V601 VanDerWaalsContact O-CG2 3.28Å; T597-V601 WeakPolarHBondContact O-CG2 3.2Å; T597-V601 PolarHBondContact O-N 3.37Å |
| 598 | N | 41.3 | Very low | 44.7 | Very low | 98 Ų | 98 | 96.9 Ų | 96.9 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 172.1 | -74.9 | -9.4 | 0 | 0 | 0 | 112.5 | K594 V595 V601 W602 | K594-N598 WeakPolarHBondContact O-CB 3.41Å; K594-N598 VanDerWaalsContact O-CG 3.29Å; K594-N598 PolarHBondContact O-N 3.13Å; V595-N598 PolarHBondContact O-N 3.01Å; N598-V601 PolarHBondContact O-N 2.74Å; N598-W602 WeakPolarHBondContact O-CB 3.35Å; N598-W602 PolarHBondContact O-N 2.85Å |
| 599 | T | 44.2 | Very low | 45 | Very low | 68 Ų | 68 | 98.7 Ų | 98.7 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 174.7 | -58 | 0 | 0 | 0 | 0 | 111.7 | V595 R596 T597 V601 W602 E603 | V595-T599 PolarHBondContact O-N 3.08Å; V595-T599 PolarHBondContact O-OG1 3.28Å; V595-T599 VanDerWaalsContact O-OG1 3.11Å; R596-T599 PolarHBondContact O-N 3.39Å; T597-T599 PolarHBondContact O-N 3.25Å; T599-V601 VanDerWaalsContact C-N 3.34Å; T599-V601 PolarHBondContact O-N 2.8Å; T599-W602 CarbonylContact O-C 3.57Å; T599-W602 WeakPolarHBondContact O-CA 3.49Å; T599-W602 PolarHBondContact O-N 2.89Å; T599-E603 HydrophobicContact CG2-CG 4.38Å; T599-E603 WeakPolarHBondContact O-CG 3.37Å; T599-E603 PolarHBondContact O-N 2.8Å |
| 600 | V | 43 | Very low | 45.4 | Very low | 72 Ų | 72 | 99.2 Ų | 99.2 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 179.9 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | R596 T597 W602 E603 T604 | R596-V600 WeakPolarHBondContact O-CG2 3.14Å; R596-V600 PolarHBondContact O-N 3.29Å; T597-V600 PolarHBondContact O-N 2.86Å; V600-W602 VanDerWaalsContact C-N 3.32Å; V600-W602 PolarHBondContact O-N 2.89Å; V600-E603 PolarHBondContact O-N 3.27Å; V600-T604 PolarHBondContact O-N 2.79Å; V600-T604 PolarHBondContact O-OG1 2.86Å |
| 601 | V | 42.4 | Very low | 45.3 | Very low | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.37 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 172.6 | 167.7 | 0 | 0 | 0 | 0 | 110.5 | T597 N598 T599 T604 Y605 | T597-V601 WeakPolarHBondContact O-CB 3.24Å; T597-V601 VanDerWaalsContact O-CG2 3.28Å; T597-V601 WeakPolarHBondContact O-CG2 3.2Å; T597-V601 PolarHBondContact O-N 3.37Å; N598-V601 PolarHBondContact O-N 2.74Å; T599-V601 VanDerWaalsContact C-N 3.34Å; T599-V601 PolarHBondContact O-N 2.8Å; V601-T604 WeakPolarHBondContact O-CB 3.17Å; V601-T604 PolarHBondContact O-N 2.76Å; V601-Y605 HydrophobicContact CG1-CD2 3.65Å; V601-Y605 HydrophobicContact CG1-CE2 3.63Å; V601-Y605 VanDerWaalsContact O-CD2 3.26Å; V601-Y605 WeakPolarHBondContact O-CD2 3.26Å; V601-Y605 PolarHBondContact O-N 3.43Å |
| 602 | W | 46.4 | Very low | 45.4 | Very low | 85 Ų | 85 | 99.4 Ų | 99.4 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.4 | -33.2 | 178.3 | -132.8 | 88.7 | 0 | 0 | 0 | 113.8 | N598 T599 V600 T604 Y605 R606 I617 | N598-W602 WeakPolarHBondContact O-CB 3.35Å; N598-W602 PolarHBondContact O-N 2.85Å; T599-W602 CarbonylContact O-C 3.57Å; T599-W602 WeakPolarHBondContact O-CA 3.49Å; T599-W602 PolarHBondContact O-N 2.89Å; V600-W602 VanDerWaalsContact C-N 3.32Å; V600-W602 PolarHBondContact O-N 2.89Å; W602-T604 VanDerWaalsContact C-N 3.27Å; W602-T604 PolarHBondContact O-N 3.35Å; W602-Y605 PolarHBondContact O-N 3.26Å; W602-R606 HydrophobicContact CE3-CB 4.01Å; W602-R606 HydrophobicContact CE3-CG 4.37Å; W602-R606 HydrophobicContact CZ3-CB 4.01Å; W602-R606 HydrophobicContact CZ3-CG 3.96Å; W602-R606 WeakPolarHBondContact O-CB 3.44Å; W602-R606 PolarHBondContact O-N 2.88Å; W602-I617 HydrophobicContact CG-CG1 4.36Å |
| 603 | E | 48.6 | Very low | 45.4 | Very low | 120 Ų | 120 | 102.5 Ų | 102.5 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.9 | -34.9 | 172.2 | -73.4 | 173 | 165 | 0 | 0 | 111.4 | T599 V600 S607 | T599-E603 HydrophobicContact CG2-CG 4.38Å; T599-E603 WeakPolarHBondContact O-CG 3.37Å; T599-E603 PolarHBondContact O-N 2.8Å; V600-E603 PolarHBondContact O-N 3.27Å; E603-S607 PolarHBondContact O-OG 3.43Å |
| 604 | T | 48.1 | Very low | 45 | Very low | 99 Ų | 99 | 104.8 Ų | 104.8 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -52.6 | 172.3 | -51 | 0 | 0 | 0 | 0 | 110.5 | V600 V601 W602 R606 S607 | V600-T604 PolarHBondContact O-N 2.79Å; V600-T604 PolarHBondContact O-OG1 2.86Å; V601-T604 WeakPolarHBondContact O-CB 3.17Å; V601-T604 PolarHBondContact O-N 2.76Å; W602-T604 VanDerWaalsContact C-N 3.27Å; W602-T604 PolarHBondContact O-N 3.35Å; T604-R606 VanDerWaalsContact C-N 3.34Å; T604-R606 PolarHBondContact O-N 2.7Å; T604-S607 WeakPolarHBondContact O-CB 3.31Å; T604-S607 PolarHBondContact O-N 3.12Å |
| 605 | Y | 47.3 | Very low | 44.8 | Very low | 122 Ų | 122 | 102 Ų | 102 | 48% | 0.478 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.1 | -26.4 | 178.6 | -80.9 | -60.5 | 0 | 0 | 0 | 114.4 | V601 W602 S607 D608 L611 | V601-Y605 HydrophobicContact CG1-CD2 3.65Å; V601-Y605 HydrophobicContact CG1-CE2 3.63Å; V601-Y605 VanDerWaalsContact O-CD2 3.26Å; V601-Y605 WeakPolarHBondContact O-CD2 3.26Å; V601-Y605 PolarHBondContact O-N 3.43Å; W602-Y605 PolarHBondContact O-N 3.26Å; Y605-S607 PolarHBondContact O-N 3.17Å; Y605-D608 VanDerWaalsContact O-CB 3.28Å; Y605-D608 WeakPolarHBondContact O-CB 3.29Å; Y605-D608 PolarHBondContact O-N 3.45Å; Y605-L611 HydrophobicContact CD1-CD1 4.27Å; Y605-L611 HydrophobicContact CG-CD1 4.45Å |
| 606 | R | 45.7 | Very low | 44.5 | Very low | 192 Ų | 192 | 102 Ų | 102 | 73% | 0.725 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.4 | 175.2 | -165.9 | 173.8 | -154.1 | 136.9 | 6.7 | 112.9 | W602 T604 | W602-R606 HydrophobicContact CE3-CB 4.01Å; W602-R606 HydrophobicContact CE3-CG 4.37Å; W602-R606 HydrophobicContact CZ3-CB 4.01Å; W602-R606 HydrophobicContact CZ3-CG 3.96Å; W602-R606 WeakPolarHBondContact O-CB 3.44Å; W602-R606 PolarHBondContact O-N 2.88Å; T604-R606 VanDerWaalsContact C-N 3.34Å; T604-R606 PolarHBondContact O-N 2.7Å |
| 607 | S | 48 | Very low | 44 | Very low | 105 Ų | 105 | 98.5 Ų | 98.5 | 73% | 0.734 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.8 | 173.4 | -48.8 | 0 | 0 | 0 | 0 | 113 | E603 T604 Y605 | E603-S607 PolarHBondContact O-OG 3.43Å; T604-S607 WeakPolarHBondContact O-CB 3.31Å; T604-S607 PolarHBondContact O-N 3.12Å; Y605-S607 PolarHBondContact O-N 3.17Å |
| 608 | D | 47.9 | Very low | 43.5 | Very low | 62 Ų | 62 | 103.6 Ų | 103.6 | 33% | 0.332 | 55% | 0.549 | S | S | . | . | trans | -89 | 109.1 | 179.6 | -172.3 | -16.4 | 0 | 0 | 0 | 110.6 | Y605 T610 | Y605-D608 VanDerWaalsContact O-CB 3.28Å; Y605-D608 WeakPolarHBondContact O-CB 3.29Å; Y605-D608 PolarHBondContact O-N 3.45Å; D608-T610 VanDerWaalsContact CG-OG1 3.28Å; D608-T610 PolarHBondContact O-N 3.14Å; D608-T610 VanDerWaalsContact OD1-CB 3.3Å; D608-T610 WeakPolarHBondContact OD1-CB 3.29Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.28Å; D608-T610 PolarHBondContact OD1-N 3Å; D608-T610 PolarHBondContact OD1-OG1 2.82Å; D608-T610 PolarHBondContact OD2-OG1 3.11Å | ||
| 609 | S | 50.8 | Low | 42.8 | Very low | 122 Ų | 122 | 101 Ų | 101 | 85% | 0.853 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -2.2 | -179.9 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 610 | T | 53 | Low | 41.9 | Very low | 109 Ų | 109 | 106.9 Ų | 106.9 | 67% | 0.669 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -14.7 | 176 | 70.5 | 0 | 0 | 0 | 0 | 113.4 | D608 | D608-T610 VanDerWaalsContact CG-OG1 3.28Å; D608-T610 PolarHBondContact O-N 3.14Å; D608-T610 VanDerWaalsContact OD1-CB 3.3Å; D608-T610 WeakPolarHBondContact OD1-CB 3.29Å; D608-T610 WeakPolarHBondContact OD1-CG2 3.28Å; D608-T610 PolarHBondContact OD1-N 3Å; D608-T610 PolarHBondContact OD1-OG1 2.82Å; D608-T610 PolarHBondContact OD2-OG1 3.11Å |
| 611 | L | 45.3 | Very low | 41.1 | Very low | 75 Ų | 75 | 108.8 Ų | 108.8 | 39% | 0.393 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -75.2 | 123.9 | -179 | -71.7 | 175.5 | 0 | 0 | 0 | 111.9 | Y605 | Y605-L611 HydrophobicContact CD1-CD1 4.27Å; Y605-L611 HydrophobicContact CG-CD1 4.45Å |
| 612 | P | 42.4 | Very low | 40.3 | Very low | 71 Ų | 71 | 116.9 Ų | 116.9 | 46% | 0.461 | 59% | 0.587 | S | S | . | * | trans | -68 | 142.9 | 178 | 27.5 | -33.8 | 0 | 0 | 0 | 110.8 | N614 K615 | P612-N614 PolarHBondContact O-N 3.17Å; P612-K615 HydrophobicContact CG-CD 4.39Å; P612-K615 HydrophobicContact CG-CG 4.23Å; P612-K615 PolarHBondContact O-N 3.01Å | ||
| 613 | P | 45.7 | Very low | 39.3 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 0.5 | -161.1 | 25.4 | -36.6 | 0 | 0 | 0 | 116.4 | ||
| 614 | N | 38.8 | Very low | 38.3 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 79% | 0.786 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 0.8 | -175.6 | -63.1 | -20.1 | 0 | 0 | 0 | 113.8 | P612 | P612-N614 PolarHBondContact O-N 3.17Š|
| 615 | K | 37.7 | Very low | 37.3 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 34% | 0.335 | 63% | 0.625 | S | S | . | * | trans | -79.4 | 129.6 | 173.4 | -78.1 | -162.4 | 177.5 | -169.7 | 0 | 111 | P612 S619 E621 | P612-K615 HydrophobicContact CG-CD 4.39Å; P612-K615 HydrophobicContact CG-CG 4.23Å; P612-K615 PolarHBondContact O-N 3.01Å; K615-S619 VanDerWaalsContact CA-OG 3.28Å; K615-S619 WeakPolarHBondContact CA-OG 3.2Å; K615-S619 WeakPolarHBondContact CB-OG 3.2Å; K615-S619 WeakPolarHBondContact CG-OG 3.19Å; K615-E621 WeakPolarHBondContact CE-OE1 3.29Å; K615-E621 IonicContact NZ-OE1 3.17Å; K615-E621 PolarHBondContact NZ-OE1 2.95Å; K615-E621 IonicContact NZ-OE2 2.67Å; K615-E621 PolarHBondContact NZ-OE2 2.73Å | ||
| 616 | T | 36.1 | Very low | 36.4 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 52% | 0.515 | 64% | 0.642 | S | S | . | * | trans | -115 | 174.1 | 176.5 | 63.4 | 0 | 0 | 0 | 0 | 109.7 | W618 S619 | T616-W618 PolarHBondContact O-N 2.86Å; T616-W618 PolarHBondContact OG1-N 3.11Å; T616-S619 PolarHBondContact N-OG 3.26Å; T616-S619 PolarHBondContact O-N 3.29Å; T616-S619 PolarHBondContact O-OG 3.36Å | ||
| 617 | I | 30.7 | Very low | 35.6 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 52% | 0.523 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.1 | -24.9 | 174.3 | -62.1 | 166.2 | 0 | 0 | 0 | 112.4 | W602 | W602-I617 HydrophobicContact CG-CG1 4.36Š|
| 618 | W | 29.4 | Very low | 34.6 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 67% | 0.674 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -3.6 | -175 | -56.7 | 103.3 | 0 | 0 | 0 | 114.6 | T616 F620 I702 | T616-W618 PolarHBondContact O-N 2.86Å; T616-W618 PolarHBondContact OG1-N 3.11Å; W618-F620 PolarHBondContact O-N 3.15Å; W618-I702 HydrophobicContact CH2-CG1 4.49Å; W618-I702 HydrophobicContact CH2-CG2 4.03Å; W618-I702 HydrophobicContact CZ2-CD1 3.76Å; W618-I702 HydrophobicContact CZ2-CG1 3.86Å; W618-I702 HydrophobicContact CZ2-CG2 4.22Å |
| 619 | S | 27.6 | Very low | 33.9 | Very low | 44 Ų | 44 | 132.7 Ų | 132.7 | 31% | 0.308 | 67% | 0.667 | S | S | . | * | trans | -83.5 | 58.7 | 171.5 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | K615 T616 E621 | K615-S619 VanDerWaalsContact CA-OG 3.28Å; K615-S619 WeakPolarHBondContact CA-OG 3.2Å; K615-S619 WeakPolarHBondContact CB-OG 3.2Å; K615-S619 WeakPolarHBondContact CG-OG 3.19Å; T616-S619 PolarHBondContact N-OG 3.26Å; T616-S619 PolarHBondContact O-N 3.29Å; T616-S619 PolarHBondContact O-OG 3.36Å; S619-E621 PolarHBondContact O-N 3.33Å | ||
| 620 | F | 25.9 | Very low | 33.1 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.842 | 66% | 0.664 | S | S | * | * | trans | -69.4 | 121.8 | 159.9 | -139.7 | -86 | 0 | 0 | 0 | 106.8 | W618 R622 | W618-F620 PolarHBondContact O-N 3.15Å; F620-R622 PolarHBondContact O-N 3.2Å | ||
| 621 | E | 25.4 | Very low | 32.1 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 52% | 0.519 | 67% | 0.668 | S | S | . | * | trans | -59.5 | 103.8 | 169.4 | -92.4 | 97.6 | 166 | 0 | 0 | 109 | K615 S619 H623 | K615-E621 WeakPolarHBondContact CE-OE1 3.29Å; K615-E621 IonicContact NZ-OE1 3.17Å; K615-E621 PolarHBondContact NZ-OE1 2.95Å; K615-E621 IonicContact NZ-OE2 2.67Å; K615-E621 PolarHBondContact NZ-OE2 2.73Å; S619-E621 PolarHBondContact O-N 3.33Å; E621-H623 PolarHBondContact O-N 3.06Å | ||
| 622 | R | 25 | Very low | 31.5 | Very low | 232 Ų | 232 | 136.1 Ų | 136.1 | 88% | 0.875 | 69% | 0.687 | S | S | * | * | trans | -63 | 94.6 | 150.5 | -78.5 | -166.9 | -75.3 | -159.1 | -4.4 | 105.8 | F620 D624 | F620-R622 PolarHBondContact O-N 3.2Å; R622-D624 VanDerWaalsContact C-N 3.29Å; R622-D624 PolarHBondContact O-N 3.04Å | ||
| 623 | H | 27.1 | Very low | 30.9 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 78% | 0.782 | 70% | 0.703 | S | S | * | * | trans | -56.3 | 98.5 | 165.3 | -80.8 | -81.8 | 0 | 0 | 0 | 107.5 | E621 P625 | E621-H623 PolarHBondContact O-N 3.06Å; H623-P625 VanDerWaalsContact O-CD 3.24Å; H623-P625 WeakPolarHBondContact O-CD 3.48Å; H623-P625 VanDerWaalsContact O-N 3.11Å | ||
| 624 | D | 26 | Very low | 30.3 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | -54.9 | 118.4 | 168.6 | -86.9 | -41.2 | 0 | 0 | 0 | 107.6 | R622 K626 | R622-D624 VanDerWaalsContact C-N 3.29Å; R622-D624 PolarHBondContact O-N 3.04Å; D624-K626 PolarHBondContact O-N 3.15Å | ||
| 625 | P | 28.6 | Very low | 29.9 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | -71.6 | 86.1 | 173.9 | 29.8 | -32.2 | 0 | 0 | 0 | 107.1 | H623 P627 | H623-P625 VanDerWaalsContact O-CD 3.24Å; H623-P625 WeakPolarHBondContact O-CD 3.48Å; H623-P625 VanDerWaalsContact O-N 3.11Å; P625-P627 VanDerWaalsContact O-CD 3.29Å; P625-P627 WeakPolarHBondContact O-CD 3.43Å | ||
| 626 | K | 27.5 | Very low | 29.6 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | trans | -38.8 | 112.1 | 179.5 | -79.4 | -176.8 | 176.6 | 177.9 | 0 | 109.1 | D624 R628 | D624-K626 PolarHBondContact O-N 3.15Å; K626-R628 PolarHBondContact O-N 2.89Å | ||
| 627 | P | 28.4 | Very low | 29.3 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | -58.6 | 116.9 | -176.4 | -27.2 | 35.5 | 0 | 0 | 0 | 109.6 | P625 H629 | P625-P627 VanDerWaalsContact O-CD 3.29Å; P625-P627 WeakPolarHBondContact O-CD 3.43Å; P627-H629 PolarHBondContact O-N 3.43Å | ||
| 628 | R | 28.1 | Very low | 29.4 | Very low | 242 Ų | 242 | 144.7 Ų | 144.7 | 91% | 0.913 | 75% | 0.746 | S | S | * | * | trans | -71.2 | 77.7 | 170.4 | -93.5 | -169.8 | -88.1 | -169.2 | -6.6 | 108.4 | K626 V630 | K626-R628 PolarHBondContact O-N 2.89Å; R628-V630 PolarHBondContact O-N 2.92Å; R628-V630 VanDerWaalsContact O-N 3.09Å | ||
| 629 | H | 32.7 | Very low | 29.3 | Very low | 152 Ų | 152 | 144 Ų | 144 | 70% | 0.704 | 76% | 0.755 | S | S | * | * | trans | -63.8 | 108.6 | 170.6 | -106.3 | -75.8 | 0 | 0 | 0 | 108.7 | P627 T631 | P627-H629 PolarHBondContact O-N 3.43Å; H629-T631 PolarHBondContact O-N 2.8Å | ||
| 630 | V | 33.6 | Very low | 29.6 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -69.1 | 123.6 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | R628 | R628-V630 PolarHBondContact O-N 2.92Å; R628-V630 VanDerWaalsContact O-N 3.09Å | ||
| 631 | T | 32.1 | Very low | 29.8 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -73 | 137.6 | 178.9 | -3.1 | 0 | 0 | 0 | 0 | 111.5 | H629 N633 | H629-T631 PolarHBondContact O-N 2.8Å; T631-N633 PolarHBondContact O-N 2.93Å | ||
| 632 | P | 32.7 | Very low | 29.9 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -67 | 115.8 | 156.3 | -15.2 | 30.6 | 0 | 0 | 0 | 109.4 | ||||
| 633 | N | 28.9 | Very low | 30.1 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -71.2 | 170.8 | 165.9 | -133.7 | 12.8 | 0 | 0 | 0 | 109.4 | T631 | T631-N633 PolarHBondContact O-N 2.93Š| ||
| 634 | P | 34.6 | Very low | 30.1 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | cis | -137.3 | 169.1 | 0.3 | 41.8 | -25.7 | 0 | 0 | 0 | 116.4 | ||||
| 635 | S | 29.7 | Very low | 30.1 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -168.9 | 145.4 | 127.8 | -84.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 636 | T | 30.9 | Very low | 30 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | trans | 47.8 | 107.5 | 158.7 | 50.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 637 | Q | 30.9 | Very low | 29.9 | Very low | 195 Ų | 195 | 136.8 Ų | 136.8 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | 58.5 | 136.4 | 133.5 | -63.8 | 165.2 | -34 | 0 | 0 | 119.3 | ||||
| 638 | S | 31.8 | Very low | 29.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | cis | -136.3 | 170.3 | 12.7 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 639 | N | 27.7 | Very low | 29.7 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -95.8 | 177.7 | -169.1 | -125.9 | 10.4 | 0 | 0 | 0 | 112.9 | ||||
| 640 | P | 33.9 | Very low | 29.3 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -105.6 | -169.7 | -148.4 | 43.7 | -41.2 | 0 | 0 | 0 | 114 | ||||
| 641 | T | 30.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -157.3 | 124.1 | 152 | -84.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 642 | I | 28.5 | Very low | 28.4 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 22.2 | 125.4 | 135 | -24.4 | 173.5 | 0 | 0 | 0 | 115.7 | ||||
| 643 | S | 29 | Very low | 27.9 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | -167.4 | 163.8 | 58.6 | -50.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 644 | M | 26 | Very low | 27.7 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -128.5 | 149.3 | 159.4 | -78.6 | -174.9 | 171.2 | 0 | 0 | 109.9 | ||||
| 645 | P | 26.7 | Very low | 27.1 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | -126.6 | 151.1 | 128.5 | 36.2 | -28.4 | 0 | 0 | 0 | 110.8 | |||||
| 646 | S | 25.3 | Very low | 26.8 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | 80.4 | 71.3 | 22.8 | -52 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 647 | N | 27.2 | Very low | 26.4 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -177.2 | 147.9 | 164.1 | -103.2 | -4.2 | 0 | 0 | 0 | 108.1 | ||||
| 648 | V | 27.1 | Very low | 26 | Very low | 111 Ų | 111 | 134 Ų | 134 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | cis | -138 | 126.1 | -21.3 | 170.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 649 | T | 25.1 | Very low | 25.5 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 11.2 | 108.9 | 141 | -40 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 650 | A | 23.5 | Very low | 25.3 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | -162.1 | 132 | 142.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 651 | D | 23 | Very low | 24.8 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | trans | -90.2 | 173.1 | 174.8 | -105.4 | -63.8 | 0 | 0 | 0 | 111.2 | T653 | D651-T653 PolarHBondContact OD1-N 3.48Å; D651-T653 PolarHBondContact OD1-OG1 3Å | ||
| 652 | P | 23.8 | Very low | 24.5 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | cis | -131.4 | 143.3 | 21.2 | 38.4 | -20.2 | 0 | 0 | 0 | 118.7 | ||||
| 653 | T | 23.1 | Very low | 24.3 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 58% | 0.577 | 73% | 0.734 | S | S | * | * | 27.3 | 112.8 | 120.8 | -53 | 0 | 0 | 0 | 0 | 118.7 | D651 | D651-T653 PolarHBondContact OD1-N 3.48Å; D651-T653 PolarHBondContact OD1-OG1 3Å | |||
| 654 | Y | 23.5 | Very low | 24.1 | Very low | 209 Ų | 209 | 134.8 Ų | 134.8 | 82% | 0.82 | 73% | 0.727 | S | S | * | * | trans | -142 | 70.5 | 139.4 | -94.9 | -60.8 | 0 | 0 | 0 | 112.3 | I656 | Y654-I656 HydrophobicContact CD1-CD1 3.84Å; Y654-I656 HydrophobicContact CD1-CG1 3.69Å; Y654-I656 HydrophobicContact CE1-CD1 4Å; Y654-I656 HydrophobicContact CE1-CG1 4.23Å | ||
| 655 | W | 22.6 | Very low | 24 | Very low | 233 Ų | 233 | 130.2 Ų | 130.2 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -74.7 | 116.6 | 144 | -81.1 | 65.5 | 0 | 0 | 0 | 107.4 | ||||
| 656 | I | 23.2 | Very low | 23.8 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | trans | -109.9 | 103.7 | 158.9 | -56.8 | -173.1 | 0 | 0 | 0 | 107.7 | Y654 | Y654-I656 HydrophobicContact CD1-CD1 3.84Å; Y654-I656 HydrophobicContact CD1-CG1 3.69Å; Y654-I656 HydrophobicContact CE1-CD1 4Å; Y654-I656 HydrophobicContact CE1-CG1 4.23Å | ||
| 657 | P | 22.3 | Very low | 23.8 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 57% | 0.571 | 72% | 0.72 | S | S | * | * | trans | -80.2 | 138.3 | 168.9 | 31.8 | -31.7 | 0 | 0 | 0 | 110.7 | ||||
| 658 | N | 21.8 | Very low | 23.6 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 56.9 | -161.8 | 179.1 | -63.4 | -20.2 | 0 | 0 | 0 | 114.2 | ||
| 659 | N | 23.2 | Very low | 23.5 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 56% | 0.561 | 71% | 0.714 | S | S | * | * | trans | 76.3 | 116.1 | 152.7 | -65.1 | -9.1 | 0 | 0 | 0 | 117.3 | ||||
| 660 | F | 22.5 | Very low | 23.4 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 62% | 0.618 | 71% | 0.709 | S | S | * | * | cis | -145.3 | 158.1 | 1.1 | -75.4 | -76.3 | 0 | 0 | 0 | 111.7 | ||||
| 661 | P | 23.7 | Very low | 23.5 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -58.1 | 158.9 | 151.8 | 31 | -35.9 | 0 | 0 | 0 | 109.8 | Q663 | P661-Q663 PolarHBondContact O-N 2.78Š|
| 662 | M | 23.4 | Very low | 23.6 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 81% | 0.808 | 71% | 0.707 | S | S | * | * | trans | -46 | 125.3 | -170.8 | -70.7 | -148.7 | -54.6 | 0 | 0 | 113.2 | L664 | M662-L664 PolarHBondContact O-N 2.63Š| ||
| 663 | Q | 24.5 | Very low | 23.7 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | trans | -63.5 | 103.6 | 178.8 | -71.7 | -175.9 | 0.9 | 0 | 0 | 110.5 | P661 | P661-Q663 PolarHBondContact O-N 2.78Š| ||
| 664 | L | 24.2 | Very low | 23.9 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 61% | 0.613 | 72% | 0.724 | S | S | * | * | trans | -127.8 | 32.7 | 165.5 | -128.3 | 175.8 | 0 | 0 | 0 | 110.3 | M662 | M662-L664 PolarHBondContact O-N 2.63Š| ||
| 665 | A | 23.9 | Very low | 24.1 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | trans | -151 | 68.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 666 | N | 23.6 | Very low | 24.3 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | -146.5 | 38.3 | 165.6 | -111.6 | -20.1 | 0 | 0 | 0 | 112.9 | ||||
| 667 | L | 24 | Very low | 24.6 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -109.3 | 97.4 | 137.5 | -71.6 | 169.1 | 0 | 0 | 0 | 104 | ||
| 668 | H | 24.2 | Very low | 25.1 | Very low | 150 Ų | 150 | 131 Ų | 131 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | 71.2 | 103.7 | 92.8 | -90.7 | -139.5 | 0 | 0 | 0 | 113.9 | |||||
| 669 | T | 23.6 | Very low | 25.4 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | 63.6 | 110.2 | 143.5 | 57.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 670 | N | 24.4 | Very low | 25.6 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 87.4 | 115.3 | 139 | -56.7 | -18.4 | 0 | 0 | 0 | 120 | ||||
| 671 | N | 24.6 | Very low | 25.9 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | trans | 85.3 | 121.9 | 141.8 | -65 | -28.7 | 0 | 0 | 0 | 121 | ||||
| 672 | Q | 25.7 | Very low | 26.2 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | 81.9 | 89.8 | 140.1 | -64.9 | 168.8 | 29.8 | 0 | 0 | 120 | ||||
| 673 | S | 26.3 | Very low | 26.5 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | 68.1 | 77.6 | 120.8 | -51.6 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 674 | A | 26.8 | Very low | 26.6 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -133.5 | 156.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 675 | P | 27.4 | Very low | 27 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | trans | -85.6 | 145.9 | -153.6 | 32.4 | -36.5 | 0 | 0 | 0 | 116.1 | S677 | P675-S677 PolarHBondContact O-N 3.41Š| ||
| 676 | E | 26.8 | Very low | 27.4 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 9.9 | 179.3 | -59 | 178.9 | 114 | 0 | 0 | 114.8 | E678 | E676-E678 PolarHBondContact O-N 3.18Š|
| 677 | S | 29.8 | Very low | 27.9 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 48% | 0.483 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -14.1 | -165.8 | 49.2 | 0 | 0 | 0 | 0 | 116.3 | P675 | P675-S677 PolarHBondContact O-N 3.41Š|
| 678 | E | 32.1 | Very low | 28.4 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -17 | -174.9 | -63.7 | -162.5 | 138 | 0 | 0 | 114.5 | E676 | E676-E678 PolarHBondContact O-N 3.18Š|
| 679 | I | 29.2 | Very low | 28.8 | Very low | 135 Ų | 135 | 133 Ų | 133 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -22 | -176.6 | -63.1 | 179 | 0 | 0 | 0 | 112.3 | Y681 | I679-Y681 VanDerWaalsContact C-N 3.31Å; I679-Y681 PolarHBondContact O-N 2.91Å |
| 680 | Q | 27.7 | Very low | 29.2 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -68.3 | -25.4 | 178.2 | -78 | -179.5 | -25.2 | 0 | 0 | 113.8 | L682 Y683 | Q680-L682 PolarHBondContact O-N 3.24Å; Q680-L682 VanDerWaalsContact O-N 3.12Å; Q680-Y683 PolarHBondContact O-N 3.1Å |
| 681 | Y | 28.7 | Very low | 29.6 | Very low | 205 Ų | 205 | 128.4 Ų | 128.4 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -70.8 | -4.2 | -177.6 | -84.8 | -77.4 | 0 | 0 | 0 | 115.6 | I679 | I679-Y681 VanDerWaalsContact C-N 3.31Å; I679-Y681 PolarHBondContact O-N 2.91Å |
| 682 | L | 30 | Very low | 30.1 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -104 | -6.7 | 174 | -70.7 | 173.2 | 0 | 0 | 0 | 114.1 | Q680 | Q680-L682 PolarHBondContact O-N 3.24Å; Q680-L682 VanDerWaalsContact O-N 3.12Å |
| 683 | Y | 27.9 | Very low | 30.5 | Very low | 198 Ų | 198 | 121.6 Ų | 121.6 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -18.2 | -175.7 | -97.3 | -82.8 | 0 | 0 | 0 | 115 | Q680 | Q680-Y683 PolarHBondContact O-N 3.1Š|
| 684 | E | 27.7 | Very low | 31.1 | Very low | 145 Ų | 145 | 121 Ų | 121 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -94.8 | 149.5 | 169.5 | -59.9 | -158.3 | 160.5 | 0 | 0 | 111.7 | W686 | E684-W686 PolarHBondContact O-N 3.19Š|
| 685 | N | 31.5 | Very low | 31.4 | Very low | 66 Ų | 66 | 120.2 Ų | 120.2 | 35% | 0.353 | 59% | 0.587 | S | S | . | * | trans | 68.9 | 27.9 | 157.1 | -59.9 | -41.7 | 0 | 0 | 0 | 118.4 | W687 H688 | N685-W687 PolarHBondContact O-N 2.82Å; N685-W687 VanDerWaalsContact O-N 3.11Å; N685-W687 PolarHBondContact OD1-NE1 3.12Å; N685-H688 HydrophobicContact CB-CB 4.16Å; N685-H688 VanDerWaalsContact CB-ND1 3.32Å; N685-H688 WeakPolarHBondContact CB-ND1 3.25Å; N685-H688 WeakPolarHBondContact O-CB 3.2Å; N685-H688 PolarHBondContact O-N 3.43Å; N685-H688 PolarHBondContact OD1-CE1 2.91Å; N685-H688 PolarHBondContact OD1-ND1 3.05Å; N685-H688 VanDerWaalsContact OD1-ND1 3.08Å | ||
| 686 | W | 33.1 | Very low | 31.8 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 49% | 0.485 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -55.1 | -29.5 | 168.1 | 65.1 | -97.1 | 0 | 0 | 0 | 113.3 | E684 H688 Y692 | E684-W686 PolarHBondContact O-N 3.19Å; W686-H688 VanDerWaalsContact C-N 3.31Å; W686-H688 PolarHBondContact O-N 3.09Å; W686-Y692 HydrophobicContact CE3-CD1 4.26Å; W686-Y692 HydrophobicContact CE3-CE1 4.49Å |
| 687 | W | 34 | Very low | 32.1 | Very low | 123 Ų | 123 | 114.2 Ų | 114.2 | 47% | 0.466 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -72.4 | -12.5 | 173.8 | 51.7 | 78 | 0 | 0 | 0 | 115.3 | N685 M693 | N685-W687 PolarHBondContact O-N 2.82Å; N685-W687 VanDerWaalsContact O-N 3.11Å; N685-W687 PolarHBondContact OD1-NE1 3.12Å; W687-M693 HydrophobicContact CB-CE 3.46Å; W687-M693 VanDerWaalsContact CB-CE 3.46Å |
| 688 | H | 34.5 | Very low | 32.4 | Very low | 135 Ų | 135 | 115 Ų | 115 | 63% | 0.625 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -80.7 | -15.9 | 175.7 | -77.5 | 74.1 | 0 | 0 | 0 | 113 | N685 W686 A690 | N685-H688 HydrophobicContact CB-CB 4.16Å; N685-H688 VanDerWaalsContact CB-ND1 3.32Å; N685-H688 WeakPolarHBondContact CB-ND1 3.25Å; N685-H688 WeakPolarHBondContact O-CB 3.2Å; N685-H688 PolarHBondContact O-N 3.43Å; N685-H688 PolarHBondContact OD1-CE1 2.91Å; N685-H688 PolarHBondContact OD1-ND1 3.05Å; N685-H688 VanDerWaalsContact OD1-ND1 3.08Å; W686-H688 VanDerWaalsContact C-N 3.31Å; W686-H688 PolarHBondContact O-N 3.09Å; H688-A690 PolarHBondContact O-N 3.44Å |
| 689 | N | 32.7 | Very low | 32.3 | Very low | 73 Ų | 73 | 110.4 Ų | 110.4 | 39% | 0.39 | 55% | 0.548 | S | S | . | . | trans | -79.8 | 103.2 | 178 | -178.4 | -16.5 | 0 | 0 | 0 | 110.2 | S691 Y692 M693 | N689-S691 PolarHBondContact O-N 3.38Å; N689-S691 WeakPolarHBondContact OD1-CB 3.36Å; N689-S691 PolarHBondContact OD1-N 3.11Å; N689-Y692 WeakPolarHBondContact O-CA 3.28Å; N689-Y692 VanDerWaalsContact O-CB 3.25Å; N689-Y692 WeakPolarHBondContact O-CB 3.33Å; N689-Y692 PolarHBondContact O-N 2.97Å; N689-Y692 PolarHBondContact OD1-N 2.89Å; N689-M693 PolarHBondContact O-N 3.11Å | ||
| 690 | A | 32.8 | Very low | 32.3 | Very low | 67 Ų | 67 | 111.2 Ų | 111.2 | 55% | 0.554 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.8 | -29.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H688 N694 | H688-A690 PolarHBondContact O-N 3.44Å; A690-N694 WeakPolarHBondContact O-CB 3.31Å; A690-N694 PolarHBondContact O-N 3.16Å; A690-N694 PolarHBondContact O-ND2 3.12Å |
| 691 | S | 33 | Very low | 32.4 | Very low | 91 Ų | 91 | 111.6 Ų | 111.6 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70 | -36.1 | 173.6 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | N689 F695 | N689-S691 PolarHBondContact O-N 3.38Å; N689-S691 WeakPolarHBondContact OD1-CB 3.36Å; N689-S691 PolarHBondContact OD1-N 3.11Å; S691-F695 VanDerWaalsContact O-CB 3.28Å; S691-F695 WeakPolarHBondContact O-CB 3.15Å; S691-F695 PolarHBondContact O-N 3.49Å |
| 692 | Y | 34.4 | Very low | 32.2 | Very low | 77 Ų | 77 | 106.3 Ų | 106.3 | 30% | 0.302 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 174.9 | -135.8 | -105.5 | 0 | 0 | 0 | 110.7 | W686 N689 F695 F696 | W686-Y692 HydrophobicContact CE3-CD1 4.26Å; W686-Y692 HydrophobicContact CE3-CE1 4.49Å; N689-Y692 WeakPolarHBondContact O-CA 3.28Å; N689-Y692 VanDerWaalsContact O-CB 3.25Å; N689-Y692 WeakPolarHBondContact O-CB 3.33Å; N689-Y692 PolarHBondContact O-N 2.97Å; N689-Y692 PolarHBondContact OD1-N 2.89Å; Y692-F695 WeakPolarHBondContact O-CB 3.36Å; Y692-F695 PolarHBondContact O-N 3.21Å; Y692-F696 AromaticContact CD1-CD2 3.99Å; Y692-F696 HydrophobicContact CD1-CD2 3.99Å; Y692-F696 AromaticContact CD1-CE2 3.75Å; Y692-F696 HydrophobicContact CD1-CE2 3.75Å; Y692-F696 HydrophobicContact CE1-CD2 4.28Å; Y692-F696 AromaticContact CE1-CE2 3.56Å; Y692-F696 HydrophobicContact CE1-CE2 3.56Å; Y692-F696 HydrophobicContact CE1-CZ 4.4Å; Y692-F696 WeakPolarHBondContact O-CD2 3.2Å; Y692-F696 PolarHBondContact O-N 3.4Å |
| 693 | M | 34.8 | Very low | 32.2 | Very low | 86 Ų | 86 | 105.8 Ų | 105.8 | 42% | 0.424 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.5 | -83.6 | -68.7 | -175.2 | 0 | 0 | 112.8 | W687 N689 F695 F696 A697 | W687-M693 HydrophobicContact CB-CE 3.46Å; W687-M693 VanDerWaalsContact CB-CE 3.46Å; N689-M693 PolarHBondContact O-N 3.11Å; M693-F695 VanDerWaalsContact C-N 3.32Å; M693-F695 PolarHBondContact O-N 3.41Å; M693-F696 PolarHBondContact O-N 2.86Å; M693-A697 VanDerWaalsContact O-CB 3.29Å; M693-A697 WeakPolarHBondContact O-CB 3.27Å; M693-A697 PolarHBondContact O-N 3.43Å |
| 694 | N | 38 | Very low | 32.2 | Very low | 110 Ų | 110 | 100.7 Ų | 100.7 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -36.3 | 175 | -78.3 | -23.2 | 0 | 0 | 0 | 112.3 | A690 A697 S698 | A690-N694 WeakPolarHBondContact O-CB 3.31Å; A690-N694 PolarHBondContact O-N 3.16Å; A690-N694 PolarHBondContact O-ND2 3.12Å; N694-A697 PolarHBondContact O-N 3.48Å; N694-S698 VanDerWaalsContact O-CB 3.31Å; N694-S698 WeakPolarHBondContact O-CB 3.35Å; N694-S698 PolarHBondContact O-N 3.29Å; N694-S698 PolarHBondContact O-OG 3.37Å |
| 695 | F | 34.1 | Very low | 32.5 | Very low | 78 Ų | 78 | 102 Ų | 102 | 34% | 0.342 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 175.1 | -177.9 | -97.1 | 0 | 0 | 0 | 111.4 | Q588 S691 Y692 M693 A697 S698 M699 | Q588-F695 HydrophobicContact CG-CZ 4.17Å; S691-F695 VanDerWaalsContact O-CB 3.28Å; S691-F695 WeakPolarHBondContact O-CB 3.15Å; S691-F695 PolarHBondContact O-N 3.49Å; Y692-F695 WeakPolarHBondContact O-CB 3.36Å; Y692-F695 PolarHBondContact O-N 3.21Å; M693-F695 VanDerWaalsContact C-N 3.32Å; M693-F695 PolarHBondContact O-N 3.41Å; F695-A697 PolarHBondContact O-N 3.17Å; F695-S698 PolarHBondContact O-N 3.06Å; F695-S698 VanDerWaalsContact O-N 3.13Å; F695-S698 PolarHBondContact O-OG 2.94Å; F695-M699 HydrophobicContact CD1-SD 4.3Å; F695-M699 HydrophobicContact CE1-CE 3.53Å; F695-M699 HydrophobicContact CE1-SD 3.78Å; F695-M699 HydrophobicContact CZ-CE 3.54Å; F695-M699 HydrophobicContact CZ-SD 4.35Å; F695-M699 PolarHBondContact O-N 2.9Å |
| 696 | F | 34.4 | Very low | 32.8 | Very low | 71 Ų | 71 | 101.9 Ų | 101.9 | 31% | 0.311 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 175.7 | -89.6 | -98.4 | 0 | 0 | 0 | 112.9 | Y692 M693 S698 M699 M703 | Y692-F696 AromaticContact CD1-CD2 3.99Å; Y692-F696 HydrophobicContact CD1-CD2 3.99Å; Y692-F696 AromaticContact CD1-CE2 3.75Å; Y692-F696 HydrophobicContact CD1-CE2 3.75Å; Y692-F696 HydrophobicContact CE1-CD2 4.28Å; Y692-F696 AromaticContact CE1-CE2 3.56Å; Y692-F696 HydrophobicContact CE1-CE2 3.56Å; Y692-F696 HydrophobicContact CE1-CZ 4.4Å; Y692-F696 WeakPolarHBondContact O-CD2 3.2Å; Y692-F696 PolarHBondContact O-N 3.4Å; M693-F696 PolarHBondContact O-N 2.86Å; F696-S698 VanDerWaalsContact C-N 3.28Å; F696-S698 PolarHBondContact O-N 3.12Å; F696-M699 PolarHBondContact O-N 2.87Å; F696-M703 HydrophobicContact CE1-CB 4.01Å |
| 697 | A | 33.3 | Very low | 33.2 | Very low | 87 Ų | 87 | 100.7 Ų | 100.7 | 72% | 0.719 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.2 | -21.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M693 N694 F695 | M693-A697 VanDerWaalsContact O-CB 3.29Å; M693-A697 WeakPolarHBondContact O-CB 3.27Å; M693-A697 PolarHBondContact O-N 3.43Å; N694-A697 PolarHBondContact O-N 3.48Å; F695-A697 PolarHBondContact O-N 3.17Å |
| 698 | S | 36 | Very low | 33.7 | Very low | 87 Ų | 87 | 102.1 Ų | 102.1 | 61% | 0.608 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -4.1 | 174 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | N694 F695 F696 | N694-S698 VanDerWaalsContact O-CB 3.31Å; N694-S698 WeakPolarHBondContact O-CB 3.35Å; N694-S698 PolarHBondContact O-N 3.29Å; N694-S698 PolarHBondContact O-OG 3.37Å; F695-S698 PolarHBondContact O-N 3.06Å; F695-S698 VanDerWaalsContact O-N 3.13Å; F695-S698 PolarHBondContact O-OG 2.94Å; F696-S698 VanDerWaalsContact C-N 3.28Å; F696-S698 PolarHBondContact O-N 3.12Å |
| 699 | M | 29.7 | Very low | 34.2 | Very low | 72 Ų | 72 | 100 Ų | 100 | 36% | 0.355 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -87.8 | 108.5 | 175.8 | -81.8 | -171.8 | 149.1 | 0 | 0 | 110.9 | F695 F696 H701 | F695-M699 HydrophobicContact CD1-SD 4.3Å; F695-M699 HydrophobicContact CE1-CE 3.53Å; F695-M699 HydrophobicContact CE1-SD 3.78Å; F695-M699 HydrophobicContact CZ-CE 3.54Å; F695-M699 HydrophobicContact CZ-SD 4.35Å; F695-M699 PolarHBondContact O-N 2.9Å; F696-M699 PolarHBondContact O-N 2.87Å; M699-H701 PolarHBondContact O-N 3.33Å; M699-H701 VanDerWaalsContact O-N 3.1Å |
| 700 | D | 30.5 | Very low | 34.9 | Very low | 152 Ų | 152 | 97.8 Ų | 97.8 | 81% | 0.813 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -55.6 | 115.5 | 159.2 | -81.8 | -47.1 | 0 | 0 | 0 | 109.5 | ||
| 701 | H | 29.1 | Very low | 35.5 | Very low | 155 Ų | 155 | 98 Ų | 98 | 72% | 0.718 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 72.6 | 113 | 173.2 | -56.6 | -64 | 0 | 0 | 0 | 118.9 | M699 | M699-H701 PolarHBondContact O-N 3.33Å; M699-H701 VanDerWaalsContact O-N 3.1Å |
| 702 | I | 24.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 98.9 Ų | 98.9 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | trans | 84.3 | 132.3 | 150.7 | -45.6 | 139.8 | 0 | 0 | 0 | 116.7 | W618 | W618-I702 HydrophobicContact CH2-CG1 4.49Å; W618-I702 HydrophobicContact CH2-CG2 4.03Å; W618-I702 HydrophobicContact CZ2-CD1 3.76Å; W618-I702 HydrophobicContact CZ2-CG1 3.86Å; W618-I702 HydrophobicContact CZ2-CG2 4.22Å | ||
| 703 | M | 30.1 | Very low | 37 | Very low | 128 Ų | 128 | 95.2 Ų | 95.2 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | trans | 164.2 | 40.9 | 134.6 | -86.1 | -76.9 | 122.6 | 0 | 0 | 114.7 | F696 | F696-M703 HydrophobicContact CE1-CB 4.01Š| ||
| 704 | V | 28.5 | Very low | 37.7 | Very low | 90 Ų | 90 | 93 Ų | 93 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -138.7 | 146.3 | 162 | -172.5 | 0 | 0 | 0 | 0 | 109 | L706 | V704-L706 VanDerWaalsContact C-N 3.26Å; V704-L706 HydrophobicContact CB-CD1 4.18Å; V704-L706 HydrophobicContact CB-CG 4.14Å; V704-L706 HydrophobicContact CG1-CD1 4.45Å; V704-L706 HydrophobicContact CG1-CG 4.06Å; V704-L706 PolarHBondContact O-N 2.99Å |
| 705 | N | 32.7 | Very low | 38.2 | Very low | 173 Ų | 173 | 93.2 Ų | 93.2 | 93% | 0.925 | 49% | 0.49 | S | S | * | . | trans | -69.2 | 80.2 | 172.8 | -77.9 | -21.7 | 0 | 0 | 0 | 110.9 | ||||
| 706 | L | 39 | Very low | 38.9 | Very low | 63 Ų | 63 | 90.5 Ų | 90.5 | 33% | 0.33 | 48% | 0.479 | S | S | . | . | trans | -116.3 | 137.4 | 175.1 | -67.1 | 170.7 | 0 | 0 | 0 | 108.9 | V704 E710 L711 | V704-L706 VanDerWaalsContact C-N 3.26Å; V704-L706 HydrophobicContact CB-CD1 4.18Å; V704-L706 HydrophobicContact CB-CG 4.14Å; V704-L706 HydrophobicContact CG1-CD1 4.45Å; V704-L706 HydrophobicContact CG1-CG 4.06Å; V704-L706 PolarHBondContact O-N 2.99Å; L706-E710 WeakPolarHBondContact CA-OE2 3.35Å; L706-E710 HydrophobicContact CB-CB 4.04Å; L706-E710 HydrophobicContact CD2-CB 4.07Å; L706-L711 HydrophobicContact CB-CD2 3.91Å; L706-L711 HydrophobicContact CB-CG 3.82Å; L706-L711 HydrophobicContact CD1-CD2 3.83Å | ||
| 707 | L | 41.9 | Very low | 39.7 | Very low | 103 Ų | 103 | 88.7 Ų | 88.7 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | trans | -61.5 | 156.1 | 171.2 | -64.4 | 169.7 | 0 | 0 | 0 | 110.1 | I709 E710 L711 | L707-I709 HydrophobicContact CB-CG2 4.09Å; L707-I709 PolarHBondContact O-N 2.96Å; L707-E710 HydrophobicContact CB-CB 4.43Å; L707-E710 HydrophobicContact CB-CG 4.11Å; L707-E710 WeakPolarHBondContact CB-OE2 3.29Å; L707-E710 WeakPolarHBondContact CG-OE2 3.45Å; L707-E710 PolarHBondContact N-OE2 3Å; L707-E710 WeakPolarHBondContact O-CA 3.36Å; L707-E710 WeakPolarHBondContact O-CB 3.4Å; L707-E710 PolarHBondContact O-N 3.28Å; L707-L711 PolarHBondContact O-N 3.41Å | ||
| 708 | Q | 43.1 | Very low | 40.6 | Very low | 154 Ų | 154 | 90.2 Ų | 90.2 | 72% | 0.72 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -52.4 | -35.4 | 177.5 | -171.8 | 64.4 | 35.6 | 0 | 0 | 112.6 | Y712 | Q708-Y712 VanDerWaalsContact O-CB 3.27Å; Q708-Y712 WeakPolarHBondContact O-CB 3.29Å; Q708-Y712 PolarHBondContact O-N 3.4Å |
| 709 | I | 45.9 | Very low | 41.2 | Very low | 89 Ų | 89 | 92.9 Ų | 92.9 | 46% | 0.456 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -74.9 | -28.6 | 176.9 | -164.4 | 166.2 | 0 | 0 | 0 | 113.4 | L707 A713 Y732 | L707-I709 HydrophobicContact CB-CG2 4.09Å; L707-I709 PolarHBondContact O-N 2.96Å; I709-A713 WeakPolarHBondContact O-CB 3.44Å; I709-A713 PolarHBondContact O-N 2.67Å; I709-Y732 HydrophobicContact CD1-CD1 4.46Å; I709-Y732 HydrophobicContact CD1-CE1 4.47Å |
| 710 | E | 46.6 | Very low | 42.1 | Very low | 27 Ų | 27 | 95.3 Ų | 95.3 | 13% | 0.126 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -78.5 | -38.4 | 176.9 | -67 | 173.7 | 136.8 | 0 | 0 | 111.2 | L706 L707 A713 A714 F751 | L706-E710 WeakPolarHBondContact CA-OE2 3.35Å; L706-E710 HydrophobicContact CB-CB 4.04Å; L706-E710 HydrophobicContact CD2-CB 4.07Å; L707-E710 HydrophobicContact CB-CB 4.43Å; L707-E710 HydrophobicContact CB-CG 4.11Å; L707-E710 WeakPolarHBondContact CB-OE2 3.29Å; L707-E710 WeakPolarHBondContact CG-OE2 3.45Å; L707-E710 PolarHBondContact N-OE2 3Å; L707-E710 WeakPolarHBondContact O-CA 3.36Å; L707-E710 WeakPolarHBondContact O-CB 3.4Å; L707-E710 PolarHBondContact O-N 3.28Å; E710-A713 PolarHBondContact O-N 2.93Å; E710-A714 WeakPolarHBondContact O-CB 3.22Å; E710-A714 PolarHBondContact O-N 3.38Å; E710-F751 HydrophobicContact CB-CD2 4.38Å; E710-F751 HydrophobicContact CB-CE2 3.68Å; E710-F751 HydrophobicContact CB-CZ 3.86Å; E710-F751 HydrophobicContact CG-CD2 4.06Å; E710-F751 HydrophobicContact CG-CE1 4.47Å; E710-F751 HydrophobicContact CG-CE2 3.82Å; E710-F751 HydrophobicContact CG-CZ 4.04Å |
| 711 | L | 46.6 | Very low | 43.1 | Very low | 73 Ų | 73 | 89.4 Ų | 89.4 | 38% | 0.382 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 168.4 | -71.3 | 171.9 | 0 | 0 | 0 | 110.9 | L706 L707 A714 Q715 | L706-L711 HydrophobicContact CB-CD2 3.91Å; L706-L711 HydrophobicContact CB-CG 3.82Å; L706-L711 HydrophobicContact CD1-CD2 3.83Å; L707-L711 PolarHBondContact O-N 3.41Å; L711-A714 PolarHBondContact O-N 3.3Å; L711-Q715 WeakPolarHBondContact O-CG 3.17Å; L711-Q715 PolarHBondContact O-N 3.26Å |
| 712 | Y | 48.9 | Very low | 44.1 | Very low | 108 Ų | 108 | 87.2 Ų | 87.2 | 42% | 0.424 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.6 | -178 | -134.6 | 0 | 0 | 0 | 111.9 | Q708 A714 Q715 M716 I729 | Q708-Y712 VanDerWaalsContact O-CB 3.27Å; Q708-Y712 WeakPolarHBondContact O-CB 3.29Å; Q708-Y712 PolarHBondContact O-N 3.4Å; Y712-A714 PolarHBondContact O-N 2.92Å; Y712-Q715 PolarHBondContact O-N 2.93Å; Y712-M716 HydrophobicContact CD2-CG 4.03Å; Y712-M716 HydrophobicContact CE2-CG 3.76Å; Y712-M716 HydrophobicContact CE2-SD 3.83Å; Y712-M716 WeakPolarHBondContact O-CB 3.18Å; Y712-M716 WeakPolarHBondContact O-CG 3.38Å; Y712-M716 PolarHBondContact O-N 3.09Å; Y712-I729 HydrophobicContact CD1-CD1 4.15Å; Y712-I729 HydrophobicContact CE1-CD1 3.36Å; Y712-I729 HydrophobicContact CE1-CG1 4.04Å |
| 713 | A | 48.6 | Very low | 45.6 | Very low | 1 Ų | 1 | 84.8 Ų | 84.8 | 1% | 0.008 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I709 E710 Y717 F724 I729 F751 | I709-A713 WeakPolarHBondContact O-CB 3.44Å; I709-A713 PolarHBondContact O-N 2.67Å; E710-A713 PolarHBondContact O-N 2.93Å; A713-Y717 WeakPolarHBondContact O-CB 3.28Å; A713-Y717 PolarHBondContact O-N 3.46Å; A713-F724 HydrophobicContact CB-CE2 4.06Å; A713-F724 HydrophobicContact CB-CZ 3.91Å; A713-F724 WeakPolarHBondContact O-CE2 3.18Å; A713-I729 HydrophobicContact CB-CG2 4.1Å; A713-F751 HydrophobicContact CB-CE1 3.93Å; A713-F751 HydrophobicContact CB-CZ 3.93Å |
| 714 | A | 49.2 | Very low | 46.9 | Very low | 40 Ų | 40 | 78.8 Ų | 78.8 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E710 L711 Y712 Y717 T718 | E710-A714 WeakPolarHBondContact O-CB 3.22Å; E710-A714 PolarHBondContact O-N 3.38Å; L711-A714 PolarHBondContact O-N 3.3Å; Y712-A714 PolarHBondContact O-N 2.92Å; A714-Y717 PolarHBondContact O-N 3.4Å; A714-T718 PolarHBondContact O-N 3.45Å; A714-T718 PolarHBondContact O-OG1 2.79Å |
| 715 | Q | 50.1 | Low | 48.1 | Very low | 114 Ų | 114 | 77.3 Ų | 77.3 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 172.6 | -72.5 | 171.9 | -38.6 | 0 | 0 | 110.9 | L711 Y712 Y717 T718 E719 | L711-Q715 WeakPolarHBondContact O-CG 3.17Å; L711-Q715 PolarHBondContact O-N 3.26Å; Y712-Q715 PolarHBondContact O-N 2.93Å; Q715-Y717 VanDerWaalsContact C-N 3.32Å; Q715-Y717 PolarHBondContact O-N 3.21Å; Q715-T718 WeakPolarHBondContact O-CA 3.31Å; Q715-T718 WeakPolarHBondContact O-CB 3.38Å; Q715-T718 PolarHBondContact O-N 2.86Å; Q715-E719 PolarHBondContact O-N 3.39Å |
| 716 | M | 47.8 | Very low | 49.4 | Very low | 20 Ų | 20 | 75.9 Ų | 75.9 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62 | -35.4 | 176 | -66 | -72.1 | -61.6 | 0 | 0 | 112.4 | Y712 T718 E719 Y720 F724 T727 I729 | Y712-M716 HydrophobicContact CD2-CG 4.03Å; Y712-M716 HydrophobicContact CE2-CG 3.76Å; Y712-M716 HydrophobicContact CE2-SD 3.83Å; Y712-M716 WeakPolarHBondContact O-CB 3.18Å; Y712-M716 WeakPolarHBondContact O-CG 3.38Å; Y712-M716 PolarHBondContact O-N 3.09Å; M716-T718 VanDerWaalsContact C-N 3.32Å; M716-E719 PolarHBondContact O-N 3.45Å; M716-Y720 HydrophobicContact CB-CD2 4.49Å; M716-Y720 HydrophobicContact CE-CD2 3.7Å; M716-Y720 HydrophobicContact CE-CE2 3.37Å; M716-Y720 WeakPolarHBondContact O-CB 3.15Å; M716-Y720 VanDerWaalsContact O-CD2 3.32Å; M716-Y720 WeakPolarHBondContact O-CD2 3.43Å; M716-Y720 PolarHBondContact O-N 3.21Å; M716-Y720 HydrophobicContact SD-CD2 4.25Å; M716-Y720 HydrophobicContact SD-CE2 3.83Å; M716-F724 HydrophobicContact CB-CD2 3.78Å; M716-F724 HydrophobicContact CB-CE2 4Å; M716-T727 HydrophobicContact CE-CG2 4.14Å; M716-I729 HydrophobicContact CE-CD1 4.01Å; M716-I729 HydrophobicContact CG-CD1 4.14Å; M716-I729 HydrophobicContact SD-CD1 4.47Å |
| 717 | Y | 52.1 | Low | 50.1 | Low | 33 Ų | 33 | 74.1 Ų | 74.1 | 13% | 0.129 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 172.7 | -177.5 | -97.3 | 0 | 0 | 0 | 112.4 | A713 A714 Q715 G721 F724 F725 I755 H759 | A713-Y717 WeakPolarHBondContact O-CB 3.28Å; A713-Y717 PolarHBondContact O-N 3.46Å; A714-Y717 PolarHBondContact O-N 3.4Å; Q715-Y717 VanDerWaalsContact C-N 3.32Å; Q715-Y717 PolarHBondContact O-N 3.21Å; Y717-G721 WeakPolarHBondContact CD2-O 3.47Å; Y717-G721 WeakPolarHBondContact CE2-O 3.3Å; Y717-G721 WeakPolarHBondContact O-CA 3.15Å; Y717-G721 PolarHBondContact O-N 3.04Å; Y717-F724 HydrophobicContact CD2-CB 3.86Å; Y717-F724 AromaticContact CD2-CD1 3.87Å; Y717-F724 HydrophobicContact CD2-CD1 3.87Å; Y717-F724 AromaticContact CD2-CG 4Å; Y717-F724 HydrophobicContact CD2-CG 4Å; Y717-F725 HydrophobicContact CE2-CE2 4.19Å; Y717-F725 HydrophobicContact CE2-CZ 4.45Å; Y717-I755 HydrophobicContact CD2-CG2 4.04Å; Y717-I755 HydrophobicContact CE2-CG2 4.03Å; Y717-I755 HydrophobicContact CG-CG2 4.42Å; Y717-H759 WeakPolarHBondContact OH-CB 3.46Å; Y717-H759 PolarHBondContact OH-ND1 3.04Å |
| 718 | T | 51.9 | Low | 50.9 | Low | 120 Ų | 120 | 73.1 Ų | 73.1 | 74% | 0.736 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.9 | -35.6 | 176 | -51.4 | 0 | 0 | 0 | 0 | 112 | A714 Q715 M716 | A714-T718 PolarHBondContact O-N 3.45Å; A714-T718 PolarHBondContact O-OG1 2.79Å; Q715-T718 WeakPolarHBondContact O-CA 3.31Å; Q715-T718 WeakPolarHBondContact O-CB 3.38Å; Q715-T718 PolarHBondContact O-N 2.86Å; M716-T718 VanDerWaalsContact C-N 3.32Å |
| 719 | E | 48.4 | Very low | 51.3 | Low | 143 Ų | 143 | 67.3 Ų | 67.3 | 67% | 0.668 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -77.8 | -43.9 | 175.9 | -70 | -174.8 | 162.4 | 0 | 0 | 113.5 | Q715 M716 | Q715-E719 PolarHBondContact O-N 3.39Å; M716-E719 PolarHBondContact O-N 3.45Å |
| 720 | Y | 47.7 | Very low | 51.5 | Low | 123 Ų | 123 | 63 Ų | 63 | 48% | 0.482 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -104 | -11 | -168.4 | -66 | -88.5 | 0 | 0 | 0 | 114.6 | M716 E722 A723 | M716-Y720 HydrophobicContact CB-CD2 4.49Å; M716-Y720 HydrophobicContact CE-CD2 3.7Å; M716-Y720 HydrophobicContact CE-CE2 3.37Å; M716-Y720 WeakPolarHBondContact O-CB 3.15Å; M716-Y720 VanDerWaalsContact O-CD2 3.32Å; M716-Y720 WeakPolarHBondContact O-CD2 3.43Å; M716-Y720 PolarHBondContact O-N 3.21Å; M716-Y720 HydrophobicContact SD-CD2 4.25Å; M716-Y720 HydrophobicContact SD-CE2 3.83Å; Y720-E722 PolarHBondContact O-N 3.44Å; Y720-A723 WeakPolarHBondContact O-CB 3.47Å; Y720-A723 PolarHBondContact O-N 2.96Å |
| 721 | G | 52.9 | Low | 52 | Low | 28 Ų | 28 | 68.3 Ų | 68.3 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | 57.9 | -128.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y717 A723 F724 | Y717-G721 WeakPolarHBondContact CD2-O 3.47Å; Y717-G721 WeakPolarHBondContact CE2-O 3.3Å; Y717-G721 WeakPolarHBondContact O-CA 3.15Å; Y717-G721 PolarHBondContact O-N 3.04Å; G721-A723 PolarHBondContact O-N 3.04Å; G721-F724 WeakPolarHBondContact O-CB 3.21Å; G721-F724 PolarHBondContact O-N 3.26Å; G721-F724 VanDerWaalsContact O-N 3.15Å |
| 722 | E | 50.2 | Low | 52.3 | Low | 109 Ų | 109 | 72 Ų | 72 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -61.1 | -32 | 175.7 | -70 | -173.4 | 172.7 | 0 | 0 | 112.8 | Y720 F724 F725 H759 K763 | Y720-E722 PolarHBondContact O-N 3.44Å; E722-F724 PolarHBondContact O-N 3.08Å; E722-F724 VanDerWaalsContact O-N 3.15Å; E722-F725 WeakPolarHBondContact O-CD2 3.26Å; E722-F725 PolarHBondContact O-N 2.95Å; E722-H759 IonicContact OE1-CE1 3.79Å; E722-H759 PolarHBondContact OE1-CE1 2.86Å; E722-H759 IonicContact OE1-NE2 3.59Å; E722-H759 PolarHBondContact OE1-NE2 3.06Å; E722-K763 IonicContact OE1-NZ 3.43Å; E722-K763 PolarHBondContact OE1-NZ 3.46Å |
| 723 | A | 56 | Low | 52.2 | Low | 42 Ų | 42 | 67.8 Ų | 67.8 | 35% | 0.347 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -69.3 | -10 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y720 G721 F725 E726 T727 | Y720-A723 WeakPolarHBondContact O-CB 3.47Å; Y720-A723 PolarHBondContact O-N 2.96Å; G721-A723 PolarHBondContact O-N 3.04Å; A723-F725 PolarHBondContact O-N 3.25Å; A723-E726 WeakPolarHBondContact O-CB 3.44Å; A723-E726 PolarHBondContact O-N 2.97Å; A723-T727 PolarHBondContact O-N 3.45Å |
| 724 | F | 56.1 | Low | 52 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -51.2 | -44 | 168.2 | 167 | -104.7 | 0 | 0 | 0 | 111.8 | A713 M716 Y717 G721 E722 E726 T727 I729 G730 | A713-F724 HydrophobicContact CB-CE2 4.06Å; A713-F724 HydrophobicContact CB-CZ 3.91Å; A713-F724 WeakPolarHBondContact O-CE2 3.18Å; M716-F724 HydrophobicContact CB-CD2 3.78Å; M716-F724 HydrophobicContact CB-CE2 4Å; Y717-F724 HydrophobicContact CD2-CB 3.86Å; Y717-F724 AromaticContact CD2-CD1 3.87Å; Y717-F724 HydrophobicContact CD2-CD1 3.87Å; Y717-F724 AromaticContact CD2-CG 4Å; Y717-F724 HydrophobicContact CD2-CG 4Å; G721-F724 WeakPolarHBondContact O-CB 3.21Å; G721-F724 PolarHBondContact O-N 3.26Å; G721-F724 VanDerWaalsContact O-N 3.15Å; E722-F724 PolarHBondContact O-N 3.08Å; E722-F724 VanDerWaalsContact O-N 3.15Å; F724-E726 PolarHBondContact O-N 3.24Å; F724-T727 WeakPolarHBondContact O-CB 3.24Å; F724-T727 WeakPolarHBondContact O-CG2 3.26Å; F724-T727 PolarHBondContact O-N 2.95Å; F724-T727 PolarHBondContact O-OG1 2.76Å; F724-I729 HydrophobicContact CE2-CB 4.43Å; F724-I729 HydrophobicContact CE2-CG2 4.01Å; F724-I729 HydrophobicContact CZ-CG2 4.35Å; F724-G730 WeakPolarHBondContact O-CA 3.44Å |
| 725 | F | 53.5 | Low | 51.6 | Low | 60 Ų | 60 | 75 Ų | 75 | 26% | 0.263 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -66 | -19.5 | -178.2 | -62.6 | -66.9 | 0 | 0 | 0 | 113.2 | Y717 E722 A723 T734 I755 | Y717-F725 HydrophobicContact CE2-CE2 4.19Å; Y717-F725 HydrophobicContact CE2-CZ 4.45Å; E722-F725 WeakPolarHBondContact O-CD2 3.26Å; E722-F725 PolarHBondContact O-N 2.95Å; A723-F725 PolarHBondContact O-N 3.25Å; F725-T734 HydrophobicContact CD1-CG2 3.79Å; F725-T734 HydrophobicContact CE1-CG2 4.38Å; F725-I755 HydrophobicContact CE1-CG2 4.33Å; F725-I755 HydrophobicContact CZ-CG2 3.8Å |
| 726 | E | 60 | Low | 51.1 | Low | 142 Ų | 142 | 77.3 Ų | 77.3 | 66% | 0.664 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -85.5 | -17.6 | 173.8 | -56.1 | -169.7 | 162.5 | 0 | 0 | 112.8 | A723 F724 R731 | A723-E726 WeakPolarHBondContact O-CB 3.44Å; A723-E726 PolarHBondContact O-N 2.97Å; F724-E726 PolarHBondContact O-N 3.24Å; E726-R731 VanDerWaalsContact O-CZ 3.24Å; E726-R731 PolarHBondContact O-NE 2.94Å; E726-R731 PolarHBondContact O-NH2 2.99Å |
| 727 | T | 54.3 | Low | 50.5 | Low | 27 Ų | 27 | 79.8 Ų | 79.8 | 17% | 0.166 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -65.9 | 162.1 | 174.8 | 72.6 | 0 | 0 | 0 | 0 | 111.5 | M716 A723 F724 I729 G730 R731 | M716-T727 HydrophobicContact CE-CG2 4.14Å; A723-T727 PolarHBondContact O-N 3.45Å; F724-T727 WeakPolarHBondContact O-CB 3.24Å; F724-T727 WeakPolarHBondContact O-CG2 3.26Å; F724-T727 PolarHBondContact O-N 2.95Å; F724-T727 PolarHBondContact O-OG1 2.76Å; T727-I729 PolarHBondContact O-N 2.87Å; T727-I729 PolarHBondContact OG1-N 3.41Å; T727-G730 PolarHBondContact O-N 3.46Å; T727-G730 PolarHBondContact OG1-N 2.84Å; T727-R731 WeakPolarHBondContact O-CB 3.46Å; T727-R731 PolarHBondContact O-N 3.25Å |
| 728 | A | 58.6 | Low | 49.8 | Very low | 81 Ų | 81 | 84.6 Ų | 84.6 | 67% | 0.669 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.2 | -29.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y732 | A728-Y732 VanDerWaalsContact O-CB 3.31Å; A728-Y732 WeakPolarHBondContact O-CB 3.24Å; A728-Y732 PolarHBondContact O-N 3.34Å |
| 729 | I | 52.1 | Low | 48.9 | Very low | 32 Ų | 32 | 81.5 Ų | 81.5 | 16% | 0.164 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -76.9 | -42.6 | 178.9 | -60.7 | 139.4 | 0 | 0 | 0 | 110.2 | Y712 A713 M716 F724 T727 Y732 C733 | Y712-I729 HydrophobicContact CD1-CD1 4.15Å; Y712-I729 HydrophobicContact CE1-CD1 3.36Å; Y712-I729 HydrophobicContact CE1-CG1 4.04Å; A713-I729 HydrophobicContact CB-CG2 4.1Å; M716-I729 HydrophobicContact CE-CD1 4.01Å; M716-I729 HydrophobicContact CG-CD1 4.14Å; M716-I729 HydrophobicContact SD-CD1 4.47Å; F724-I729 HydrophobicContact CE2-CB 4.43Å; F724-I729 HydrophobicContact CE2-CG2 4.01Å; F724-I729 HydrophobicContact CZ-CG2 4.35Å; T727-I729 PolarHBondContact O-N 2.87Å; T727-I729 PolarHBondContact OG1-N 3.41Å; I729-Y732 PolarHBondContact O-N 2.97Å; I729-C733 PolarHBondContact O-N 3.39Å; I729-C733 PolarHBondContact O-SG 2.75Å |
| 730 | G | 50.1 | Low | 47.9 | Very low | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F724 T727 C733 T734 | F724-G730 WeakPolarHBondContact O-CA 3.44Å; T727-G730 PolarHBondContact O-N 3.46Å; T727-G730 PolarHBondContact OG1-N 2.84Å; G730-C733 CarbonylContact O-C 3.56Å; G730-C733 WeakPolarHBondContact O-CA 3.31Å; G730-C733 WeakPolarHBondContact O-CB 3.25Å; G730-C733 PolarHBondContact O-N 2.89Å; G730-C733 VanDerWaalsContact O-N 3.11Å; G730-T734 PolarHBondContact O-N 3.45Å; G730-T734 PolarHBondContact O-OG1 3.12Å |
| 731 | R | 56.5 | Low | 47.3 | Very low | 137 Ų | 137 | 75.8 Ų | 75.8 | 52% | 0.517 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 173.4 | -75.9 | -174.9 | -107.3 | -170.7 | -7.1 | 113.3 | E726 T727 C733 T734 E735 | E726-R731 VanDerWaalsContact O-CZ 3.24Å; E726-R731 PolarHBondContact O-NE 2.94Å; E726-R731 PolarHBondContact O-NH2 2.99Å; T727-R731 WeakPolarHBondContact O-CB 3.46Å; T727-R731 PolarHBondContact O-N 3.25Å; R731-C733 PolarHBondContact O-N 3.49Å; R731-C733 VanDerWaalsContact O-N 3.11Å; R731-T734 WeakPolarHBondContact CA-OG1 2.94Å; R731-T734 PolarHBondContact O-N 3.46Å; R731-E735 WeakPolarHBondContact O-CB 3.12Å; R731-E735 WeakPolarHBondContact O-CG 3.41Å; R731-E735 PolarHBondContact O-N 2.83Å |
| 732 | Y | 54.2 | Low | 46.4 | Very low | 151 Ų | 151 | 78 Ų | 78 | 59% | 0.592 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.8 | -19.2 | 172.3 | -167.1 | -97.8 | 0 | 0 | 0 | 113.4 | I709 A728 I729 | I709-Y732 HydrophobicContact CD1-CD1 4.46Å; I709-Y732 HydrophobicContact CD1-CE1 4.47Å; A728-Y732 VanDerWaalsContact O-CB 3.31Å; A728-Y732 WeakPolarHBondContact O-CB 3.24Å; A728-Y732 PolarHBondContact O-N 3.34Å; I729-Y732 PolarHBondContact O-N 2.97Å |
| 733 | C | 46.8 | Very low | 45.7 | Very low | 20 Ų | 20 | 76.7 Ų | 76.7 | 14% | 0.135 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -87.1 | -38.1 | 168.6 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | I729 G730 R731 I752 | I729-C733 PolarHBondContact O-N 3.39Å; I729-C733 PolarHBondContact O-SG 2.75Å; G730-C733 CarbonylContact O-C 3.56Å; G730-C733 WeakPolarHBondContact O-CA 3.31Å; G730-C733 WeakPolarHBondContact O-CB 3.25Å; G730-C733 PolarHBondContact O-N 2.89Å; G730-C733 VanDerWaalsContact O-N 3.11Å; R731-C733 PolarHBondContact O-N 3.49Å; R731-C733 VanDerWaalsContact O-N 3.11Å; C733-I752 HydrophobicContact CB-CG1 4.39Å; C733-I752 WeakPolarHBondContact O-CD1 3.44Å |
| 734 | T | 44.7 | Very low | 44.3 | Very low | 61 Ų | 61 | 80.9 Ų | 80.9 | 37% | 0.374 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -90.1 | -14.3 | -174.7 | 55.6 | 0 | 0 | 0 | 0 | 115.4 | F725 G730 R731 E736 | F725-T734 HydrophobicContact CD1-CG2 3.79Å; F725-T734 HydrophobicContact CE1-CG2 4.38Å; G730-T734 PolarHBondContact O-N 3.45Å; G730-T734 PolarHBondContact O-OG1 3.12Å; R731-T734 WeakPolarHBondContact CA-OG1 2.94Å; R731-T734 PolarHBondContact O-N 3.46Å; T734-E736 PolarHBondContact O-N 2.89Å; T734-E736 VanDerWaalsContact O-N 3.14Å |
| 735 | E | 40.7 | Very low | 43.2 | Very low | 132 Ų | 132 | 81.6 Ų | 81.6 | 62% | 0.617 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -64.6 | 111.1 | 174.5 | -81.4 | 171.8 | -152.9 | 0 | 0 | 110.4 | R731 S737 | R731-E735 WeakPolarHBondContact O-CB 3.12Å; R731-E735 WeakPolarHBondContact O-CG 3.41Å; R731-E735 PolarHBondContact O-N 2.83Å; E735-S737 PolarHBondContact O-N 3.37Å; E735-S737 VanDerWaalsContact O-N 3.12Å |
| 736 | E | 38.8 | Very low | 42.4 | Very low | 162 Ų | 162 | 85.1 Ų | 85.1 | 76% | 0.757 | 48% | 0.48 | S | S | * | . | trans | -56.7 | 118.6 | 174.3 | -65.8 | -172.1 | 142.7 | 0 | 0 | 109.6 | T734 T738 | T734-E736 PolarHBondContact O-N 2.89Å; T734-E736 VanDerWaalsContact O-N 3.14Å; E736-T738 HydrophobicContact CB-CG2 4.09Å; E736-T738 PolarHBondContact O-N 2.89Å; E736-T738 PolarHBondContact O-OG1 3.02Å | ||
| 737 | S | 35.5 | Very low | 41.3 | Very low | 72 Ų | 72 | 82.9 Ų | 82.9 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | trans | -68.6 | 75.1 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | E735 G739 S740 | E735-S737 PolarHBondContact O-N 3.37Å; E735-S737 VanDerWaalsContact O-N 3.12Å; S737-G739 PolarHBondContact O-N 3.46Å; S737-S740 PolarHBondContact OG-O 2.95Å | ||
| 738 | T | 37.1 | Very low | 40.4 | Very low | 134 Ų | 134 | 84.4 Ų | 84.4 | 82% | 0.822 | 48% | 0.477 | S | S | * | . | trans | -75.1 | 38.3 | 176.8 | 41.4 | 0 | 0 | 0 | 0 | 111 | E736 | E736-T738 HydrophobicContact CB-CG2 4.09Å; E736-T738 PolarHBondContact O-N 2.89Å; E736-T738 PolarHBondContact O-OG1 3.02Å | ||
| 739 | G | 33 | Very low | 39.9 | Very low | 55 Ų | 55 | 85.1 Ų | 85.1 | 57% | 0.567 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 167.9 | 109.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S737 | S737-G739 PolarHBondContact O-N 3.46Š|
| 740 | S | 28 | Very low | 39.7 | Very low | 100 Ų | 100 | 88.9 Ų | 88.9 | 70% | 0.699 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 78.7 | 139.1 | 165.5 | -158.2 | 0 | 0 | 0 | 0 | 118.7 | S737 | S737-S740 PolarHBondContact OG-O 2.95Š|
| 741 | S | 34.5 | Very low | 39.6 | Very low | 46 Ų | 46 | 90.1 Ų | 90.1 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | trans | 76.1 | 68.8 | 167.9 | -145.4 | 0 | 0 | 0 | 0 | 117.8 | P743 F744 G745 | S741-P743 WeakPolarHBondContact O-CD 3.35Å; S741-P743 VanDerWaalsContact O-N 3.15Å; S741-F744 PolarHBondContact O-N 3.1Å; S741-F744 VanDerWaalsContact O-N 3.11Å; S741-G745 PolarHBondContact O-N 2.83Å | ||
| 742 | A | 34.5 | Very low | 39.4 | Very low | 75 Ų | 75 | 84.2 Ų | 84.2 | 62% | 0.62 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -48.6 | -32.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | Q746 | A742-Q746 WeakPolarHBondContact O-CG 3.45Å; A742-Q746 PolarHBondContact O-N 2.86Å |
| 743 | P | 34.3 | Very low | 39.4 | Very low | 80 Ų | 80 | 80.2 Ų | 80.2 | 52% | 0.519 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77.5 | -29.4 | 177.4 | 29.6 | -34.5 | 0 | 0 | 0 | 113.3 | S741 Q746 I747 | S741-P743 WeakPolarHBondContact O-CD 3.35Å; S741-P743 VanDerWaalsContact O-N 3.15Å; P743-Q746 PolarHBondContact O-N 2.78Å; P743-I747 WeakPolarHBondContact O-CG1 3.42Å; P743-I747 PolarHBondContact O-N 3.4Å; P743-I747 VanDerWaalsContact O-N 3.16Å |
| 744 | F | 28.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 86.6 Ų | 86.6 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -73.2 | -44.4 | 178.5 | -92.7 | -91.9 | 0 | 0 | 0 | 111.2 | S741 Q746 I747 Q748 | S741-F744 PolarHBondContact O-N 3.1Å; S741-F744 VanDerWaalsContact O-N 3.11Å; F744-Q746 PolarHBondContact O-N 3.4Å; F744-I747 PolarHBondContact O-N 3.3Å; F744-I747 VanDerWaalsContact O-N 3.12Å; F744-Q748 WeakPolarHBondContact O-CB 3.18Å; F744-Q748 WeakPolarHBondContact O-CG 3.5Å; F744-Q748 PolarHBondContact O-N 3.1Å; F744-Q748 PolarHBondContact O-OE1 3.18Å |
| 745 | G | 32.2 | Very low | 39.9 | Very low | 17 Ų | 17 | 84.3 Ų | 84.3 | 18% | 0.175 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -57.2 | -35.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S741 L749 | S741-G745 PolarHBondContact O-N 2.83Å; G745-L749 VanDerWaalsContact O-CB 3.26Å; G745-L749 WeakPolarHBondContact O-CB 3.35Å; G745-L749 WeakPolarHBondContact O-CD1 3.35Å; G745-L749 WeakPolarHBondContact O-CG 3.49Å; G745-L749 PolarHBondContact O-N 3.14Å |
| 746 | Q | 37.3 | Very low | 40.5 | Very low | 133 Ų | 133 | 84 Ų | 84 | 62% | 0.621 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -71 | -37.6 | 175.2 | -74.5 | -176.6 | 21.6 | 0 | 0 | 113.6 | A742 P743 F744 L749 Q750 | A742-Q746 WeakPolarHBondContact O-CG 3.45Å; A742-Q746 PolarHBondContact O-N 2.86Å; P743-Q746 PolarHBondContact O-N 2.78Å; F744-Q746 PolarHBondContact O-N 3.4Å; Q746-L749 PolarHBondContact O-N 3.01Å; Q746-Q750 WeakPolarHBondContact O-CB 3.4Å; Q746-Q750 VanDerWaalsContact O-CG 3.28Å; Q746-Q750 WeakPolarHBondContact O-CG 3.46Å; Q746-Q750 PolarHBondContact O-N 2.91Å |
| 747 | I | 35.4 | Very low | 41.1 | Very low | 96 Ų | 96 | 81.5 Ų | 81.5 | 49% | 0.492 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 175.3 | -66.9 | 168.5 | 0 | 0 | 0 | 110.3 | P743 F744 Q750 F751 | P743-I747 WeakPolarHBondContact O-CG1 3.42Å; P743-I747 PolarHBondContact O-N 3.4Å; P743-I747 VanDerWaalsContact O-N 3.16Å; F744-I747 PolarHBondContact O-N 3.3Å; F744-I747 VanDerWaalsContact O-N 3.12Å; I747-Q750 PolarHBondContact O-N 3.31Å; I747-F751 WeakPolarHBondContact O-CB 3.31Å; I747-F751 PolarHBondContact O-N 3Å |
| 748 | Q | 36.8 | Very low | 41.8 | Very low | 59 Ų | 59 | 82.3 Ų | 82.3 | 28% | 0.276 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 172.1 | -71.6 | 172.3 | -69.8 | 0 | 0 | 110.9 | F744 Q750 F751 I752 | F744-Q748 WeakPolarHBondContact O-CB 3.18Å; F744-Q748 WeakPolarHBondContact O-CG 3.5Å; F744-Q748 PolarHBondContact O-N 3.1Å; F744-Q748 PolarHBondContact O-OE1 3.18Å; Q748-Q750 VanDerWaalsContact C-N 3.34Å; Q748-Q750 PolarHBondContact O-N 2.89Å; Q748-F751 PolarHBondContact O-N 3.06Å; Q748-F751 VanDerWaalsContact O-N 3.12Å; Q748-I752 HydrophobicContact CB-CD1 4.41Å; Q748-I752 WeakPolarHBondContact O-CB 3.32Å; Q748-I752 VanDerWaalsContact O-CD1 3.23Å; Q748-I752 WeakPolarHBondContact O-CD1 3.47Å; Q748-I752 WeakPolarHBondContact O-CG1 3.48Å; Q748-I752 PolarHBondContact O-N 2.95Å |
| 749 | L | 48.1 | Very low | 42.4 | Very low | 95 Ų | 95 | 77.6 Ų | 77.6 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 174.8 | -74.9 | 167.3 | 0 | 0 | 0 | 112.7 | G745 Q746 I752 E753 | G745-L749 VanDerWaalsContact O-CB 3.26Å; G745-L749 WeakPolarHBondContact O-CB 3.35Å; G745-L749 WeakPolarHBondContact O-CD1 3.35Å; G745-L749 WeakPolarHBondContact O-CG 3.49Å; G745-L749 PolarHBondContact O-N 3.14Å; Q746-L749 PolarHBondContact O-N 3.01Å; L749-I752 HydrophobicContact CD2-CD1 4.46Å; L749-E753 VanDerWaalsContact O-CB 3.24Å; L749-E753 WeakPolarHBondContact O-CB 3.38Å; L749-E753 VanDerWaalsContact O-CG 3.31Å; L749-E753 WeakPolarHBondContact O-CG 3.44Å; L749-E753 PolarHBondContact O-N 3.42Å |
| 750 | Q | 47.5 | Very low | 43.2 | Very low | 111 Ų | 111 | 80.6 Ų | 80.6 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 173.2 | -78.5 | -75.2 | -43.2 | 0 | 0 | 112.7 | Q746 I747 Q748 R754 | Q746-Q750 WeakPolarHBondContact O-CB 3.4Å; Q746-Q750 VanDerWaalsContact O-CG 3.28Å; Q746-Q750 WeakPolarHBondContact O-CG 3.46Å; Q746-Q750 PolarHBondContact O-N 2.91Å; I747-Q750 PolarHBondContact O-N 3.31Å; Q748-Q750 VanDerWaalsContact C-N 3.34Å; Q748-Q750 PolarHBondContact O-N 2.89Å; Q750-R754 WeakPolarHBondContact O-CB 3.23Å; Q750-R754 WeakPolarHBondContact O-CD 3.44Å; Q750-R754 WeakPolarHBondContact O-CG 3.4Å; Q750-R754 PolarHBondContact O-N 2.69Å |
| 751 | F | 47.6 | Very low | 44.2 | Very low | 27 Ų | 27 | 80.2 Ų | 80.2 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.6 | -45.5 | 175.8 | -176 | -109 | 0 | 0 | 0 | 111.6 | E710 A713 I747 Q748 R754 I755 | E710-F751 HydrophobicContact CB-CD2 4.38Å; E710-F751 HydrophobicContact CB-CE2 3.68Å; E710-F751 HydrophobicContact CB-CZ 3.86Å; E710-F751 HydrophobicContact CG-CD2 4.06Å; E710-F751 HydrophobicContact CG-CE1 4.47Å; E710-F751 HydrophobicContact CG-CE2 3.82Å; E710-F751 HydrophobicContact CG-CZ 4.04Å; A713-F751 HydrophobicContact CB-CE1 3.93Å; A713-F751 HydrophobicContact CB-CZ 3.93Å; I747-F751 WeakPolarHBondContact O-CB 3.31Å; I747-F751 PolarHBondContact O-N 3Å; Q748-F751 PolarHBondContact O-N 3.06Å; Q748-F751 VanDerWaalsContact O-N 3.12Å; F751-R754 PolarHBondContact O-N 3.44Å; F751-I755 HydrophobicContact CD1-CD1 3.93Å; F751-I755 HydrophobicContact CE1-CD1 3.44Å; F751-I755 VanDerWaalsContact CE1-CD1 3.44Å; F751-I755 HydrophobicContact CE2-CD1 4.31Å; F751-I755 HydrophobicContact CZ-CD1 3.66Å; F751-I755 WeakPolarHBondContact O-CG1 3.46Å; F751-I755 PolarHBondContact O-N 3.41Å |
| 752 | I | 51.4 | Low | 44.7 | Very low | 13 Ų | 13 | 81.5 Ų | 81.5 | 7% | 0.067 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 174.7 | -61.9 | 154.3 | 0 | 0 | 0 | 110.5 | C733 Q748 L749 I755 R756 | C733-I752 HydrophobicContact CB-CG1 4.39Å; C733-I752 WeakPolarHBondContact O-CD1 3.44Å; Q748-I752 HydrophobicContact CB-CD1 4.41Å; Q748-I752 WeakPolarHBondContact O-CB 3.32Å; Q748-I752 VanDerWaalsContact O-CD1 3.23Å; Q748-I752 WeakPolarHBondContact O-CD1 3.47Å; Q748-I752 WeakPolarHBondContact O-CG1 3.48Å; Q748-I752 PolarHBondContact O-N 2.95Å; L749-I752 HydrophobicContact CD2-CD1 4.46Å; I752-I755 CarbonylContact O-C 3.58Å; I752-I755 PolarHBondContact O-N 2.73Å; I752-R756 HydrophobicContact CG2-CG 4.27Å; I752-R756 WeakPolarHBondContact O-CB 3.5Å; I752-R756 VanDerWaalsContact O-CG 3.26Å; I752-R756 WeakPolarHBondContact O-CG 3.39Å; I752-R756 PolarHBondContact O-N 3.31Å |
| 753 | E | 54.5 | Low | 45.4 | Very low | 67 Ų | 67 | 81.8 Ų | 81.8 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 176.9 | -77.4 | -56.2 | 137.9 | 0 | 0 | 112.2 | L749 R756 Q757 | L749-E753 VanDerWaalsContact O-CB 3.24Å; L749-E753 WeakPolarHBondContact O-CB 3.38Å; L749-E753 VanDerWaalsContact O-CG 3.31Å; L749-E753 WeakPolarHBondContact O-CG 3.44Å; L749-E753 PolarHBondContact O-N 3.42Å; E753-R756 PolarHBondContact O-N 3.45Å; E753-R756 WeakPolarHBondContact OE1-CD 3.45Å; E753-R756 IonicContact OE1-CZ 3.34Å; E753-R756 IonicContact OE1-NE 3.18Å; E753-R756 IonicContact OE1-NH1 2.68Å; E753-R756 PolarHBondContact OE1-NH1 3.19Å; E753-Q757 VanDerWaalsContact O-CB 3.3Å; E753-Q757 WeakPolarHBondContact O-CB 3.23Å; E753-Q757 WeakPolarHBondContact O-CG 3.11Å; E753-Q757 PolarHBondContact O-N 2.89Å |
| 754 | R | 52.5 | Low | 46 | Very low | 153 Ų | 153 | 81.2 Ų | 81.2 | 58% | 0.577 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 170.7 | -74.2 | 164.3 | -170.8 | -122.5 | -1 | 111.6 | Q750 F751 Q757 I758 | Q750-R754 WeakPolarHBondContact O-CB 3.23Å; Q750-R754 WeakPolarHBondContact O-CD 3.44Å; Q750-R754 WeakPolarHBondContact O-CG 3.4Å; Q750-R754 PolarHBondContact O-N 2.69Å; F751-R754 PolarHBondContact O-N 3.44Å; R754-Q757 PolarHBondContact O-N 3.44Å; R754-I758 WeakPolarHBondContact O-CB 3.44Å; R754-I758 WeakPolarHBondContact O-CD1 3.16Å; R754-I758 VanDerWaalsContact O-CG1 3.24Å; R754-I758 WeakPolarHBondContact O-CG1 3.34Å; R754-I758 PolarHBondContact O-N 3.09Å |
| 755 | I | 50.1 | Low | 46.8 | Very low | 14 Ų | 14 | 78.4 Ų | 78.4 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 174.4 | -66.9 | 176.2 | 0 | 0 | 0 | 110.8 | Y717 F725 F751 I752 I758 H759 | Y717-I755 HydrophobicContact CD2-CG2 4.04Å; Y717-I755 HydrophobicContact CE2-CG2 4.03Å; Y717-I755 HydrophobicContact CG-CG2 4.42Å; F725-I755 HydrophobicContact CE1-CG2 4.33Å; F725-I755 HydrophobicContact CZ-CG2 3.8Å; F751-I755 HydrophobicContact CD1-CD1 3.93Å; F751-I755 HydrophobicContact CE1-CD1 3.44Å; F751-I755 VanDerWaalsContact CE1-CD1 3.44Å; F751-I755 HydrophobicContact CE2-CD1 4.31Å; F751-I755 HydrophobicContact CZ-CD1 3.66Å; F751-I755 WeakPolarHBondContact O-CG1 3.46Å; F751-I755 PolarHBondContact O-N 3.41Å; I752-I755 CarbonylContact O-C 3.58Å; I752-I755 PolarHBondContact O-N 2.73Å; I755-I758 PolarHBondContact O-N 2.91Å; I755-H759 WeakPolarHBondContact O-CB 3.31Å; I755-H759 PolarHBondContact O-N 3.18Å |
| 756 | R | 52.8 | Low | 47.5 | Very low | 125 Ų | 125 | 83.1 Ų | 83.1 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 174.7 | -76.5 | 171.2 | 177.5 | 177.8 | 1.2 | 111.8 | I752 E753 H759 H760 | I752-R756 HydrophobicContact CG2-CG 4.27Å; I752-R756 WeakPolarHBondContact O-CB 3.5Å; I752-R756 VanDerWaalsContact O-CG 3.26Å; I752-R756 WeakPolarHBondContact O-CG 3.39Å; I752-R756 PolarHBondContact O-N 3.31Å; E753-R756 PolarHBondContact O-N 3.45Å; E753-R756 WeakPolarHBondContact OE1-CD 3.45Å; E753-R756 IonicContact OE1-CZ 3.34Å; E753-R756 IonicContact OE1-NE 3.18Å; E753-R756 IonicContact OE1-NH1 2.68Å; E753-R756 PolarHBondContact OE1-NH1 3.19Å; R756-H759 PolarHBondContact O-N 3.48Å; R756-H760 WeakPolarHBondContact O-CB 3.34Å; R756-H760 PolarHBondContact O-N 2.92Å |
| 757 | Q | 51.6 | Low | 48.2 | Very low | 109 Ų | 109 | 80.7 Ų | 80.7 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.7 | -47.2 | 175.9 | -74 | 165.2 | 26.6 | 0 | 0 | 111.2 | E753 R754 H759 H760 I761 | E753-Q757 VanDerWaalsContact O-CB 3.3Å; E753-Q757 WeakPolarHBondContact O-CB 3.23Å; E753-Q757 WeakPolarHBondContact O-CG 3.11Å; E753-Q757 PolarHBondContact O-N 2.89Å; R754-Q757 PolarHBondContact O-N 3.44Å; Q757-H759 VanDerWaalsContact C-N 3.31Å; Q757-H759 PolarHBondContact O-N 2.74Å; Q757-H760 PolarHBondContact O-N 2.86Å; Q757-I761 VanDerWaalsContact O-CB 3.31Å; Q757-I761 WeakPolarHBondContact O-CB 3.35Å; Q757-I761 WeakPolarHBondContact O-CD1 3.42Å; Q757-I761 WeakPolarHBondContact O-CG1 3.36Å; Q757-I761 PolarHBondContact O-N 3.46Å |
| 758 | I | 49.9 | Very low | 48.7 | Very low | 89 Ų | 89 | 79.4 Ų | 79.4 | 46% | 0.456 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 173.4 | -69 | 163.3 | 0 | 0 | 0 | 110.4 | R754 I755 N762 | R754-I758 WeakPolarHBondContact O-CB 3.44Å; R754-I758 WeakPolarHBondContact O-CD1 3.16Å; R754-I758 VanDerWaalsContact O-CG1 3.24Å; R754-I758 WeakPolarHBondContact O-CG1 3.34Å; R754-I758 PolarHBondContact O-N 3.09Å; I755-I758 PolarHBondContact O-N 2.91Å; I758-N762 VanDerWaalsContact O-CB 3.25Å; I758-N762 WeakPolarHBondContact O-CB 3.37Å; I758-N762 PolarHBondContact O-N 3.22Å; I758-N762 PolarHBondContact O-ND2 3.24Å |
| 759 | H | 50.3 | Low | 49.3 | Very low | 35 Ų | 35 | 80.6 Ų | 80.6 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 175.8 | 179.4 | 75.8 | 0 | 0 | 0 | 111.8 | Y717 E722 I755 R756 Q757 N762 K763 | Y717-H759 WeakPolarHBondContact OH-CB 3.46Å; Y717-H759 PolarHBondContact OH-ND1 3.04Å; E722-H759 IonicContact OE1-CE1 3.79Å; E722-H759 PolarHBondContact OE1-CE1 2.86Å; E722-H759 IonicContact OE1-NE2 3.59Å; E722-H759 PolarHBondContact OE1-NE2 3.06Å; I755-H759 WeakPolarHBondContact O-CB 3.31Å; I755-H759 PolarHBondContact O-N 3.18Å; R756-H759 PolarHBondContact O-N 3.48Å; Q757-H759 VanDerWaalsContact C-N 3.31Å; Q757-H759 PolarHBondContact O-N 2.74Å; H759-N762 CarbonylContact O-C 3.42Å; H759-N762 PolarHBondContact O-N 3.13Å; H759-K763 VanDerWaalsContact O-CB 3.29Å; H759-K763 WeakPolarHBondContact O-CB 3.42Å; H759-K763 PolarHBondContact O-N 2.94Å |
| 760 | H | 49.8 | Very low | 49.7 | Very low | 118 Ų | 118 | 80.1 Ų | 80.1 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | -179 | -170 | 67.1 | 0 | 0 | 0 | 111.8 | R756 Q757 K763 I764 | R756-H760 WeakPolarHBondContact O-CB 3.34Å; R756-H760 PolarHBondContact O-N 2.92Å; Q757-H760 PolarHBondContact O-N 2.86Å; H760-K763 PolarHBondContact O-N 2.96Å; H760-I764 WeakPolarHBondContact NE2-CD1 3.37Å; H760-I764 WeakPolarHBondContact O-CB 3.5Å; H760-I764 VanDerWaalsContact O-CG1 3.28Å; H760-I764 WeakPolarHBondContact O-CG1 3.28Å; H760-I764 PolarHBondContact O-N 3.33Å |
| 761 | I | 48.7 | Very low | 50.1 | Low | 92 Ų | 92 | 79.6 Ų | 79.6 | 47% | 0.472 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 171.6 | -70 | 164.7 | 0 | 0 | 0 | 110.2 | Q757 K763 I764 N765 | Q757-I761 VanDerWaalsContact O-CB 3.31Å; Q757-I761 WeakPolarHBondContact O-CB 3.35Å; Q757-I761 WeakPolarHBondContact O-CD1 3.42Å; Q757-I761 WeakPolarHBondContact O-CG1 3.36Å; Q757-I761 PolarHBondContact O-N 3.46Å; I761-K763 PolarHBondContact O-N 3.21Å; I761-I764 PolarHBondContact O-N 3.47Å; I761-N765 VanDerWaalsContact O-CB 3.27Å; I761-N765 WeakPolarHBondContact O-CB 3.49Å; I761-N765 VanDerWaalsContact O-CG 3.22Å; I761-N765 PolarHBondContact O-N 3.45Å; I761-N765 PolarHBondContact O-ND2 2.75Å |
| 762 | N | 45.3 | Very low | 50.5 | Low | 74 Ų | 74 | 85 Ų | 85 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 175.8 | -74.6 | -13.1 | 0 | 0 | 0 | 112.3 | I758 H759 N765 Q766 | I758-N762 VanDerWaalsContact O-CB 3.25Å; I758-N762 WeakPolarHBondContact O-CB 3.37Å; I758-N762 PolarHBondContact O-N 3.22Å; I758-N762 PolarHBondContact O-ND2 3.24Å; H759-N762 CarbonylContact O-C 3.42Å; H759-N762 PolarHBondContact O-N 3.13Å; N762-N765 PolarHBondContact O-N 3.39Å; N762-Q766 WeakPolarHBondContact O-CB 3.41Å; N762-Q766 WeakPolarHBondContact O-CG 3.43Å; N762-Q766 PolarHBondContact O-N 3.43Å |
| 763 | K | 49.2 | Very low | 50.6 | Low | 80 Ų | 80 | 88.5 Ų | 88.5 | 35% | 0.348 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.8 | -38.2 | 176.9 | -156.6 | 165.6 | -160.2 | 151.1 | 0 | 111.8 | E722 H759 H760 I761 Q766 I767 | E722-K763 IonicContact OE1-NZ 3.43Å; E722-K763 PolarHBondContact OE1-NZ 3.46Å; H759-K763 VanDerWaalsContact O-CB 3.29Å; H759-K763 WeakPolarHBondContact O-CB 3.42Å; H759-K763 PolarHBondContact O-N 2.94Å; H760-K763 PolarHBondContact O-N 2.96Å; I761-K763 PolarHBondContact O-N 3.21Å; K763-Q766 PolarHBondContact O-N 2.89Å; K763-I767 HydrophobicContact CG-CD1 4.26Å; K763-I767 VanDerWaalsContact O-CB 3.31Å; K763-I767 WeakPolarHBondContact O-CB 3.28Å; K763-I767 WeakPolarHBondContact O-CD1 3.49Å; K763-I767 WeakPolarHBondContact O-CG1 3.39Å; K763-I767 PolarHBondContact O-N 3.18Å |
| 764 | I | 47.1 | Very low | 50.8 | Low | 69 Ų | 69 | 89.4 Ų | 89.4 | 35% | 0.354 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 167.8 | -75.1 | 168.8 | 0 | 0 | 0 | 110.1 | H760 I761 I767 N768 | H760-I764 WeakPolarHBondContact NE2-CD1 3.37Å; H760-I764 WeakPolarHBondContact O-CB 3.5Å; H760-I764 VanDerWaalsContact O-CG1 3.28Å; H760-I764 WeakPolarHBondContact O-CG1 3.28Å; H760-I764 PolarHBondContact O-N 3.33Å; I761-I764 PolarHBondContact O-N 3.47Å; I764-I767 CarbonylContact O-C 3.54Å; I764-I767 PolarHBondContact O-N 3.07Å; I764-N768 WeakPolarHBondContact CG2-ND2 3.47Å; I764-N768 WeakPolarHBondContact O-CB 3.25Å; I764-N768 PolarHBondContact O-N 3.11Å; I764-N768 PolarHBondContact O-ND2 2.94Å |
| 765 | N | 45 | Very low | 50.9 | Low | 71 Ų | 71 | 87.8 Ų | 87.8 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.6 | -77.4 | -31.7 | 0 | 0 | 0 | 112 | I761 N762 N768 Q769 | I761-N765 VanDerWaalsContact O-CB 3.27Å; I761-N765 WeakPolarHBondContact O-CB 3.49Å; I761-N765 VanDerWaalsContact O-CG 3.22Å; I761-N765 PolarHBondContact O-N 3.45Å; I761-N765 PolarHBondContact O-ND2 2.75Å; N762-N765 PolarHBondContact O-N 3.39Å; N765-N768 CarbonylContact O-C 3.25Å; N765-N768 PolarHBondContact O-N 3.03Å; N765-Q769 WeakPolarHBondContact O-CB 3.49Å; N765-Q769 VanDerWaalsContact O-CG 3.29Å; N765-Q769 WeakPolarHBondContact O-CG 3.38Å; N765-Q769 PolarHBondContact O-N 3.16Å |
| 766 | Q | 47.2 | Very low | 51 | Low | 116 Ų | 116 | 92.7 Ų | 92.7 | 54% | 0.542 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 170.2 | -76.6 | 178.9 | 1.3 | 0 | 0 | 111.6 | N762 K763 N768 Q769 I770 | N762-Q766 WeakPolarHBondContact O-CB 3.41Å; N762-Q766 WeakPolarHBondContact O-CG 3.43Å; N762-Q766 PolarHBondContact O-N 3.43Å; K763-Q766 PolarHBondContact O-N 2.89Å; Q766-N768 VanDerWaalsContact C-N 3.28Å; Q766-N768 PolarHBondContact O-N 3.46Å; Q766-Q769 CarbonylContact O-C 3.54Å; Q766-Q769 PolarHBondContact O-N 2.86Å; Q766-I770 WeakPolarHBondContact O-CB 3.49Å; Q766-I770 WeakPolarHBondContact O-CG1 3.25Å; Q766-I770 PolarHBondContact O-N 3.37Å |
| 767 | I | 51.1 | Low | 50.9 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 42% | 0.421 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -33.5 | 176.5 | -71.6 | 164.1 | 0 | 0 | 0 | 111.3 | K763 I764 H771 | K763-I767 HydrophobicContact CG-CD1 4.26Å; K763-I767 VanDerWaalsContact O-CB 3.31Å; K763-I767 WeakPolarHBondContact O-CB 3.28Å; K763-I767 WeakPolarHBondContact O-CD1 3.49Å; K763-I767 WeakPolarHBondContact O-CG1 3.39Å; K763-I767 PolarHBondContact O-N 3.18Å; I764-I767 CarbonylContact O-C 3.54Å; I764-I767 PolarHBondContact O-N 3.07Å; I767-H771 VanDerWaalsContact O-CB 3.29Å; I767-H771 WeakPolarHBondContact O-CB 3.32Å; I767-H771 PolarHBondContact O-N 2.85Å; I767-H771 PolarHBondContact O-ND1 3.3Å; I767-H771 VanDerWaalsContact O-ND1 3.14Å |
| 768 | N | 47.4 | Very low | 50.7 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -80.7 | -23.1 | 175.4 | -72 | -19.9 | 0 | 0 | 0 | 112.7 | I764 N765 Q766 R772 | I764-N768 WeakPolarHBondContact CG2-ND2 3.47Å; I764-N768 WeakPolarHBondContact O-CB 3.25Å; I764-N768 PolarHBondContact O-N 3.11Å; I764-N768 PolarHBondContact O-ND2 2.94Å; N765-N768 CarbonylContact O-C 3.25Å; N765-N768 PolarHBondContact O-N 3.03Å; Q766-N768 VanDerWaalsContact C-N 3.28Å; Q766-N768 PolarHBondContact O-N 3.46Å; N768-R772 WeakPolarHBondContact O-CB 3.43Å; N768-R772 WeakPolarHBondContact O-CG 3.48Å; N768-R772 PolarHBondContact O-N 2.75Å; N768-R772 PolarHBondContact O-NE 3.49Å |
| 769 | Q | 48.4 | Very low | 50 | Low | 84 Ų | 84 | 97.6 Ų | 97.6 | 39% | 0.393 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.2 | -46.2 | 165 | -77.8 | 179 | 17.6 | 0 | 0 | 109.9 | N765 Q766 H771 R772 I773 | N765-Q769 WeakPolarHBondContact O-CB 3.49Å; N765-Q769 VanDerWaalsContact O-CG 3.29Å; N765-Q769 WeakPolarHBondContact O-CG 3.38Å; N765-Q769 PolarHBondContact O-N 3.16Å; Q766-Q769 CarbonylContact O-C 3.54Å; Q766-Q769 PolarHBondContact O-N 2.86Å; Q769-H771 PolarHBondContact O-N 3.2Å; Q769-R772 CarbonylContact O-C 3.6Å; Q769-R772 PolarHBondContact O-N 3.41Å; Q769-I773 VanDerWaalsContact O-CB 3.31Å; Q769-I773 WeakPolarHBondContact O-CB 3.29Å; Q769-I773 WeakPolarHBondContact O-CD1 3.35Å; Q769-I773 WeakPolarHBondContact O-CG1 3.17Å; Q769-I773 PolarHBondContact O-N 3.09Å |
| 770 | I | 56.5 | Low | 49.2 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.8 | -69 | 163.7 | 0 | 0 | 0 | 110.7 | Q766 I773 Q774 | Q766-I770 WeakPolarHBondContact O-CB 3.49Å; Q766-I770 WeakPolarHBondContact O-CG1 3.25Å; Q766-I770 PolarHBondContact O-N 3.37Å; I770-I773 PolarHBondContact O-N 2.84Å; I770-Q774 HydrophobicContact CG2-CG 4.37Å; I770-Q774 VanDerWaalsContact CG2-NE2 3.34Å; I770-Q774 VanDerWaalsContact O-CB 3.28Å; I770-Q774 WeakPolarHBondContact O-CB 3.18Å; I770-Q774 VanDerWaalsContact O-CG 3.29Å; I770-Q774 WeakPolarHBondContact O-CG 3.42Å; I770-Q774 PolarHBondContact O-N 2.9Å |
| 771 | H | 56.4 | Low | 48.4 | Very low | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.468 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 172.9 | -92.4 | 96.7 | 0 | 0 | 0 | 112.3 | I767 Q769 Q774 Q775 | I767-H771 VanDerWaalsContact O-CB 3.29Å; I767-H771 WeakPolarHBondContact O-CB 3.32Å; I767-H771 PolarHBondContact O-N 2.85Å; I767-H771 PolarHBondContact O-ND1 3.3Å; I767-H771 VanDerWaalsContact O-ND1 3.14Å; Q769-H771 PolarHBondContact O-N 3.2Å; H771-Q774 PolarHBondContact O-N 3.44Å; H771-Q775 VanDerWaalsContact O-CB 3.26Å; H771-Q775 WeakPolarHBondContact O-CB 3.37Å; H771-Q775 VanDerWaalsContact O-CG 3.24Å; H771-Q775 WeakPolarHBondContact O-CG 3.47Å; H771-Q775 PolarHBondContact O-N 3.42Å |
| 772 | R | 54.7 | Low | 47.7 | Very low | 141 Ų | 141 | 106.4 Ų | 106.4 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.8 | -35.1 | 174.2 | -79.6 | 178.8 | -76.4 | -163.4 | -2 | 112.4 | N768 Q769 N776 | N768-R772 WeakPolarHBondContact O-CB 3.43Å; N768-R772 WeakPolarHBondContact O-CG 3.48Å; N768-R772 PolarHBondContact O-N 2.75Å; N768-R772 PolarHBondContact O-NE 3.49Å; Q769-R772 CarbonylContact O-C 3.6Å; Q769-R772 PolarHBondContact O-N 3.41Å; R772-N776 WeakPolarHBondContact O-CB 3.5Å; R772-N776 PolarHBondContact O-N 3.33Å; R772-N776 PolarHBondContact O-OD1 2.69Å; R772-N776 VanDerWaalsContact O-OD1 3.13Å |
| 773 | I | 54.7 | Low | 47.2 | Very low | 86 Ų | 86 | 108.9 Ų | 108.9 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 174 | -70.9 | 163.3 | 0 | 0 | 0 | 110.1 | Q769 I770 N776 Q777 | Q769-I773 VanDerWaalsContact O-CB 3.31Å; Q769-I773 WeakPolarHBondContact O-CB 3.29Å; Q769-I773 WeakPolarHBondContact O-CD1 3.35Å; Q769-I773 WeakPolarHBondContact O-CG1 3.17Å; Q769-I773 PolarHBondContact O-N 3.09Å; I770-I773 PolarHBondContact O-N 2.84Å; I773-N776 CarbonylContact O-C 3.59Å; I773-N776 PolarHBondContact O-N 2.96Å; I773-Q777 VanDerWaalsContact CG2-NE2 3.35Å; I773-Q777 VanDerWaalsContact O-CB 3.29Å; I773-Q777 WeakPolarHBondContact O-CB 3.49Å; I773-Q777 WeakPolarHBondContact O-CG 3.46Å; I773-Q777 PolarHBondContact O-N 2.8Å |
| 774 | Q | 57.3 | Low | 46.4 | Very low | 86 Ų | 86 | 112.2 Ų | 112.2 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70 | -41.2 | 174.9 | -75 | -174.2 | 35 | 0 | 0 | 111.8 | I770 H771 Q777 Q778 | I770-Q774 HydrophobicContact CG2-CG 4.37Å; I770-Q774 VanDerWaalsContact CG2-NE2 3.34Å; I770-Q774 VanDerWaalsContact O-CB 3.28Å; I770-Q774 WeakPolarHBondContact O-CB 3.18Å; I770-Q774 VanDerWaalsContact O-CG 3.29Å; I770-Q774 WeakPolarHBondContact O-CG 3.42Å; I770-Q774 PolarHBondContact O-N 2.9Å; H771-Q774 PolarHBondContact O-N 3.44Å; Q774-Q777 CarbonylContact O-C 3.56Å; Q774-Q777 PolarHBondContact O-N 3.29Å; Q774-Q777 VanDerWaalsContact O-N 3.09Å; Q774-Q778 WeakPolarHBondContact O-CB 3.45Å; Q774-Q778 WeakPolarHBondContact O-CG 3.4Å; Q774-Q778 PolarHBondContact O-N 3.05Å |
| 775 | Q | 54.8 | Low | 45.7 | Very low | 118 Ų | 118 | 114.5 Ų | 114.5 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | 172.1 | -77.2 | 173.8 | -13.1 | 0 | 0 | 110.8 | H771 Q777 Q778 E779 | H771-Q775 VanDerWaalsContact O-CB 3.26Å; H771-Q775 WeakPolarHBondContact O-CB 3.37Å; H771-Q775 VanDerWaalsContact O-CG 3.24Å; H771-Q775 WeakPolarHBondContact O-CG 3.47Å; H771-Q775 PolarHBondContact O-N 3.42Å; Q775-Q777 PolarHBondContact O-N 2.98Å; Q775-Q778 PolarHBondContact O-N 3.45Å; Q775-E779 PolarHBondContact O-N 3.17Å |
| 776 | N | 52.1 | Low | 45.4 | Very low | 118 Ų | 118 | 114.6 Ų | 114.6 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.1 | -5.3 | 175.1 | -63 | 5.7 | 0 | 0 | 0 | 114 | R772 I773 | R772-N776 WeakPolarHBondContact O-CB 3.5Å; R772-N776 PolarHBondContact O-N 3.33Å; R772-N776 PolarHBondContact O-OD1 2.69Å; R772-N776 VanDerWaalsContact O-OD1 3.13Å; I773-N776 CarbonylContact O-C 3.59Å; I773-N776 PolarHBondContact O-N 2.96Å |
| 777 | Q | 51.4 | Low | 44.9 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -110.1 | -10.2 | 171.6 | -73.8 | 177.9 | 21.5 | 0 | 0 | 113.1 | I773 Q774 Q775 | I773-Q777 VanDerWaalsContact CG2-NE2 3.35Å; I773-Q777 VanDerWaalsContact O-CB 3.29Å; I773-Q777 WeakPolarHBondContact O-CB 3.49Å; I773-Q777 WeakPolarHBondContact O-CG 3.46Å; I773-Q777 PolarHBondContact O-N 2.8Å; Q774-Q777 CarbonylContact O-C 3.56Å; Q774-Q777 PolarHBondContact O-N 3.29Å; Q774-Q777 VanDerWaalsContact O-N 3.09Å; Q775-Q777 PolarHBondContact O-N 2.98Å |
| 778 | Q | 47.4 | Very low | 44.2 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 67% | 0.673 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -107.4 | -18.4 | 175.9 | -69.5 | 174.6 | 18.9 | 0 | 0 | 111.8 | Q774 Q775 | Q774-Q778 WeakPolarHBondContact O-CB 3.45Å; Q774-Q778 WeakPolarHBondContact O-CG 3.4Å; Q774-Q778 PolarHBondContact O-N 3.05Å; Q775-Q778 PolarHBondContact O-N 3.45Å |
| 779 | E | 34.8 | Very low | 44 | Very low | 142 Ų | 142 | 121 Ų | 121 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -51 | 130.9 | 145.8 | -81.9 | -152.1 | 121.4 | 0 | 0 | 107.9 | Q775 | Q775-E779 PolarHBondContact O-N 3.17Š|
| 780 | P | 33.1 | Very low | 43.5 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 62% | 0.623 | 59% | 0.588 | S | S | * | * | trans | -69 | 158.6 | -160.9 | 25.9 | -35.9 | 0 | 0 | 0 | 112.9 | Q782 | P780-Q782 HydrophobicContact CB-CG 3.92Å; P780-Q782 HydrophobicContact CG-CB 4.43Å; P780-Q782 HydrophobicContact CG-CG 3.79Å; P780-Q782 PolarHBondContact O-N 2.96Å | ||
| 781 | Q | 34.7 | Very low | 42.7 | Very low | 182 Ų | 182 | 124.8 Ų | 124.8 | 85% | 0.85 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 56.2 | 174.6 | -59.9 | 172.7 | -0.1 | 0 | 0 | 112.3 | ||
| 782 | Q | 34 | Very low | 41.9 | Very low | 152 Ų | 152 | 129 Ų | 129 | 71% | 0.71 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -25.5 | -174.1 | -77.3 | -85.7 | -72.6 | 0 | 0 | 112.5 | P780 | P780-Q782 HydrophobicContact CB-CG 3.92Å; P780-Q782 HydrophobicContact CG-CB 4.43Å; P780-Q782 HydrophobicContact CG-CG 3.79Å; P780-Q782 PolarHBondContact O-N 2.96Å |
| 783 | F | 33 | Very low | 41.2 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 55% | 0.548 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -125.7 | 141.8 | 175.8 | -73.9 | -95.9 | 0 | 0 | 0 | 110 | ||
| 784 | Q | 32.7 | Very low | 40.7 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | trans | 67.4 | 52.4 | 171.1 | -54.7 | 172.6 | 30.1 | 0 | 0 | 116.6 | ||||
| 785 | Q | 33.8 | Very low | 39.8 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 54% | 0.542 | 64% | 0.635 | S | S | . | * | trans | -67.5 | 144.4 | 139.6 | -75.1 | -167.8 | 7.5 | 0 | 0 | 109.1 | Q787 | Q785-Q787 PolarHBondContact O-N 2.98Š| ||
| 786 | P | 37.2 | Very low | 39.1 | Very low | 73 Ų | 73 | 136 Ų | 136 | 47% | 0.474 | 64% | 0.643 | S | S | . | * | trans | -69.6 | 131.9 | -178.9 | 27.5 | -34.3 | 0 | 0 | 0 | 111.5 | E788 I789 Q790 | P786-E788 PolarHBondContact O-N 3.43Å; P786-E788 VanDerWaalsContact O-N 3.08Å; P786-I789 HydrophobicContact CG-CB 4.16Å; P786-I789 HydrophobicContact CG-CD1 3.72Å; P786-I789 HydrophobicContact CG-CG1 3.88Å; P786-I789 PolarHBondContact O-N 3.1Å; P786-Q790 PolarHBondContact O-N 2.91Å | ||
| 787 | Q | 36.8 | Very low | 38.3 | Very low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -58.8 | -26.1 | -174.7 | -70.4 | -179.9 | -20.9 | 0 | 0 | 113.6 | Q785 Q790 Q791 | Q785-Q787 PolarHBondContact O-N 2.98Å; Q787-Q790 PolarHBondContact O-N 3.22Å; Q787-Q791 PolarHBondContact O-N 3.33Å |
| 788 | E | 37.6 | Very low | 37.7 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.6 | -31.2 | 175.8 | -62.2 | -165.9 | 122.1 | 0 | 0 | 113.6 | P786 Q790 R792 | P786-E788 PolarHBondContact O-N 3.43Å; P786-E788 VanDerWaalsContact O-N 3.08Å; E788-Q790 VanDerWaalsContact C-N 3.35Å; E788-R792 WeakPolarHBondContact O-CB 3.27Å; E788-R792 PolarHBondContact O-N 3.25Å |
| 789 | I | 41.9 | Very low | 37.5 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 42% | 0.415 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -72.5 | -34.4 | 172.3 | -67.6 | -175.8 | 0 | 0 | 0 | 109.9 | P786 R792 Q793 | P786-I789 HydrophobicContact CG-CB 4.16Å; P786-I789 HydrophobicContact CG-CD1 3.72Å; P786-I789 HydrophobicContact CG-CG1 3.88Å; P786-I789 PolarHBondContact O-N 3.1Å; I789-R792 PolarHBondContact O-N 3.45Å; I789-Q793 HydrophobicContact CG2-CG 4.07Å; I789-Q793 WeakPolarHBondContact O-CB 3.35Å; I789-Q793 WeakPolarHBondContact O-CG 3.31Å; I789-Q793 PolarHBondContact O-N 3.44Å |
| 790 | Q | 39.1 | Very low | 37.8 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 52% | 0.523 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.1 | -32.9 | 178.1 | -153.5 | 155.6 | 32.2 | 0 | 0 | 112.2 | P786 Q787 E788 Q794 | P786-Q790 PolarHBondContact O-N 2.91Å; Q787-Q790 PolarHBondContact O-N 3.22Å; E788-Q790 VanDerWaalsContact C-N 3.35Å; Q790-Q794 VanDerWaalsContact O-CG 3.25Å; Q790-Q794 WeakPolarHBondContact O-CG 3.29Å; Q790-Q794 PolarHBondContact O-N 3.35Å |
| 791 | Q | 40.1 | Very low | 38.1 | Very low | 136 Ų | 136 | 137 Ų | 137 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.5 | -35.7 | 169 | -68.4 | -171.5 | 13.5 | 0 | 0 | 113.4 | Q787 | Q787-Q791 PolarHBondContact O-N 3.33Å |
| 792 | R | 38.8 | Very low | 38.5 | Very low | 190 Ų | 190 | 134.4 Ų | 134.4 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.3 | -30.7 | 179 | -80.1 | -172.8 | 164 | -91.2 | -2.3 | 114.6 | E788 I789 F795 | E788-R792 WeakPolarHBondContact O-CB 3.27Å; E788-R792 PolarHBondContact O-N 3.25Å; I789-R792 PolarHBondContact O-N 3.45Å; R792-F795 PolarHBondContact O-N 3.33Å |
| 793 | Q | 40.3 | Very low | 39 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 42% | 0.421 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.1 | -30.7 | 171.2 | -70.7 | -165.4 | 54.3 | 0 | 0 | 112.2 | I789 F795 Q796 Q797 | I789-Q793 HydrophobicContact CG2-CG 4.07Å; I789-Q793 WeakPolarHBondContact O-CB 3.35Å; I789-Q793 WeakPolarHBondContact O-CG 3.31Å; I789-Q793 PolarHBondContact O-N 3.44Å; Q793-F795 PolarHBondContact O-N 3.44Å; Q793-F795 VanDerWaalsContact O-N 3.14Å; Q793-Q796 PolarHBondContact O-N 2.83Å; Q793-Q797 PolarHBondContact O-N 2.87Å |
| 794 | Q | 43.8 | Very low | 39.4 | Very low | 148 Ų | 148 | 138 Ų | 138 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -20.4 | 172.5 | -84.5 | 176.7 | -9.1 | 0 | 0 | 114 | Q790 | Q790-Q794 VanDerWaalsContact O-CG 3.25Å; Q790-Q794 WeakPolarHBondContact O-CG 3.29Å; Q790-Q794 PolarHBondContact O-N 3.35Å |
| 795 | F | 39.4 | Very low | 40.1 | Very low | 184 Ų | 184 | 135 Ų | 135 | 81% | 0.807 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 0.7 | 178.2 | -84.7 | -84.5 | 0 | 0 | 0 | 115.3 | R792 Q793 | R792-F795 PolarHBondContact O-N 3.33Å; Q793-F795 PolarHBondContact O-N 3.44Å; Q793-F795 VanDerWaalsContact O-N 3.14Å |
| 796 | Q | 38.7 | Very low | 40.6 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 73% | 0.729 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | 8.1 | -178.2 | -68.2 | -165.4 | -5.4 | 0 | 0 | 116.4 | Q793 | Q793-Q796 PolarHBondContact O-N 2.83Š|
| 797 | Q | 35.2 | Very low | 40.9 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 46% | 0.458 | 64% | 0.641 | S | S | . | * | trans | -125.7 | 79.3 | 172 | -69.4 | -165.3 | 30.2 | 0 | 0 | 116.3 | Q793 | Q793-Q797 PolarHBondContact O-N 2.87Š| ||
| 798 | P | 39.5 | Very low | 41.3 | Very low | 98 Ų | 98 | 140 Ų | 140 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -84.6 | -27.1 | 159.8 | -15.1 | 31.9 | 0 | 0 | 0 | 114.2 | ||
| 799 | Q | 43.1 | Very low | 41.8 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -99.4 | -23.8 | -153.9 | -70.9 | -169.7 | -12.2 | 0 | 0 | 118.4 | ||
| 800 | Q | 41.3 | Very low | 42.1 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -104.8 | -26.6 | -178.1 | -72.1 | -151.1 | -12.3 | 0 | 0 | 115.5 | Q802 Q803 | Q800-Q802 PolarHBondContact O-N 2.93Å; Q800-Q803 PolarHBondContact O-N 3.08Å |
| 801 | F | 39.4 | Very low | 42.6 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 63% | 0.632 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.7 | -21.6 | 172.3 | -115.5 | -87.3 | 0 | 0 | 0 | 112.9 | Q803 Q805 | F801-Q803 PolarHBondContact O-N 3.38Å; F801-Q805 HydrophobicContact CD1-CG 4.42Å; F801-Q805 WeakPolarHBondContact O-CB 3.44Å; F801-Q805 WeakPolarHBondContact O-CG 3.31Å; F801-Q805 PolarHBondContact O-N 2.98Å |
| 802 | Q | 43.7 | Very low | 43.4 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 60% | 0.598 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.1 | -31.2 | -179.7 | -151.7 | 164.3 | 27.6 | 0 | 0 | 112.9 | Q800 Q806 | Q800-Q802 PolarHBondContact O-N 2.93Å; Q802-Q806 VanDerWaalsContact O-CG 3.22Å; Q802-Q806 WeakPolarHBondContact O-CG 3.37Å; Q802-Q806 PolarHBondContact O-N 3.23Å |
| 803 | Q | 43.1 | Very low | 44.3 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.7 | -39.8 | -178.3 | -68.5 | -173.9 | -1.7 | 0 | 0 | 113.9 | Q800 F801 Q806 | Q800-Q803 PolarHBondContact O-N 3.08Å; F801-Q803 PolarHBondContact O-N 3.38Å; Q803-Q806 PolarHBondContact O-N 3.01Å |
| 804 | R | 41.9 | Very low | 45.3 | Very low | 221 Ų | 221 | 136.6 Ų | 136.6 | 83% | 0.834 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.1 | -25.1 | 176.3 | -74.9 | -156.4 | -74.9 | -164 | -2.9 | 113.7 | ||
| 805 | Q | 46.5 | Very low | 46.3 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 42% | 0.416 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.5 | -40.2 | 167.2 | -81.9 | -78.6 | -15 | 0 | 0 | 112.1 | F801 F807 Q808 Q809 | F801-Q805 HydrophobicContact CD1-CG 4.42Å; F801-Q805 WeakPolarHBondContact O-CB 3.44Å; F801-Q805 WeakPolarHBondContact O-CG 3.31Å; F801-Q805 PolarHBondContact O-N 2.98Å; Q805-F807 PolarHBondContact O-N 3.33Å; Q805-F807 VanDerWaalsContact O-N 3.1Å; Q805-Q808 PolarHBondContact O-N 2.77Å; Q805-Q808 VanDerWaalsContact O-N 3.16Å; Q805-Q809 WeakPolarHBondContact O-CB 3.49Å; Q805-Q809 VanDerWaalsContact O-CG 3.3Å; Q805-Q809 WeakPolarHBondContact O-CG 3.48Å; Q805-Q809 PolarHBondContact O-N 3.48Å |
| 806 | Q | 45.9 | Very low | 47.6 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 52% | 0.523 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60 | -20.8 | -178.4 | -84.5 | 169.4 | -13.5 | 0 | 0 | 115 | Q802 Q803 P810 | Q802-Q806 VanDerWaalsContact O-CG 3.22Å; Q802-Q806 WeakPolarHBondContact O-CG 3.37Å; Q802-Q806 PolarHBondContact O-N 3.23Å; Q803-Q806 PolarHBondContact O-N 3.01Å; Q806-P810 WeakPolarHBondContact O-CD 3.46Å; Q806-P810 WeakPolarHBondContact O-CG 3.48Å |
| 807 | F | 43.3 | Very low | 49.1 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 82% | 0.82 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -13.3 | 178 | -83.6 | -85.2 | 0 | 0 | 0 | 115.4 | Q805 | Q805-F807 PolarHBondContact O-N 3.33Å; Q805-F807 VanDerWaalsContact O-N 3.1Å |
| 808 | Q | 45.8 | Very low | 50.8 | Low | 156 Ų | 156 | 130.8 Ų | 130.8 | 73% | 0.729 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -22.3 | 173.9 | -67.9 | -171.4 | 4 | 0 | 0 | 113.4 | Q805 | Q805-Q808 PolarHBondContact O-N 2.77Å; Q805-Q808 VanDerWaalsContact O-N 3.16Å |
| 809 | Q | 48.1 | Very low | 52.1 | Low | 100 Ų | 100 | 132.1 Ų | 132.1 | 47% | 0.467 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.8 | -32.2 | 174 | -76 | -178.3 | 8 | 0 | 0 | 115.3 | Q805 Q811 Q812 F813 | Q805-Q809 WeakPolarHBondContact O-CB 3.49Å; Q805-Q809 VanDerWaalsContact O-CG 3.3Å; Q805-Q809 WeakPolarHBondContact O-CG 3.48Å; Q805-Q809 PolarHBondContact O-N 3.48Å; Q809-Q811 PolarHBondContact O-N 3.05Å; Q809-Q812 PolarHBondContact O-N 2.87Å; Q809-F813 WeakPolarHBondContact O-CB 3.27Å; Q809-F813 PolarHBondContact O-N 3.35Å |
| 810 | P | 46.6 | Very low | 53.2 | Low | 76 Ų | 76 | 130.1 Ų | 130.1 | 49% | 0.494 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -56.7 | -48.2 | -179.8 | -28.8 | 36.6 | 0 | 0 | 0 | 113.5 | Q806 Q814 | Q806-P810 WeakPolarHBondContact O-CD 3.46Å; Q806-P810 WeakPolarHBondContact O-CG 3.48Å; P810-Q814 WeakPolarHBondContact O-CB 3.46Å; P810-Q814 PolarHBondContact O-N 2.92Å |
| 811 | Q | 51.2 | Low | 54.4 | Low | 150 Ų | 150 | 127.1 Ų | 127.1 | 70% | 0.701 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69 | -43.5 | 180 | -70.7 | -172.4 | -7.1 | 0 | 0 | 112.3 | Q809 F813 Q814 Q815 | Q809-Q811 PolarHBondContact O-N 3.05Å; Q811-F813 VanDerWaalsContact C-N 3.34Å; Q811-F813 PolarHBondContact O-N 3.5Å; Q811-Q814 PolarHBondContact O-N 3.32Å; Q811-Q815 WeakPolarHBondContact O-CB 3.5Å; Q811-Q815 WeakPolarHBondContact O-CG 3.49Å; Q811-Q815 PolarHBondContact O-N 3.5Å |
| 812 | Q | 55.4 | Low | 55.6 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 52% | 0.523 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.3 | -32 | 178 | -86.3 | -111.4 | -11.6 | 0 | 0 | 113.2 | Q809 R816 | Q809-Q812 PolarHBondContact O-N 2.87Å; Q812-R816 WeakPolarHBondContact O-CB 3.29Å; Q812-R816 PolarHBondContact O-N 2.94Å; Q812-R816 VanDerWaalsContact O-N 3.15Å |
| 813 | F | 57.8 | Low | 56.4 | Low | 131 Ų | 131 | 124.9 Ų | 124.9 | 58% | 0.575 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.9 | -41.2 | 174.1 | -169.3 | -97.2 | 0 | 0 | 0 | 111.1 | Q809 Q811 R816 Q817 | Q809-F813 WeakPolarHBondContact O-CB 3.27Å; Q809-F813 PolarHBondContact O-N 3.35Å; Q811-F813 VanDerWaalsContact C-N 3.34Å; Q811-F813 PolarHBondContact O-N 3.5Å; F813-R816 PolarHBondContact O-N 3.48Å; F813-Q817 HydrophobicContact CD1-CG 4.01Å; F813-Q817 HydrophobicContact CE1-CG 3.81Å; F813-Q817 HydrophobicContact CZ-CG 4.39Å; F813-Q817 WeakPolarHBondContact O-CB 3.29Å; F813-Q817 WeakPolarHBondContact O-CG 3.34Å; F813-Q817 PolarHBondContact O-N 2.89Å |
| 814 | Q | 62.8 | Low | 57.2 | Low | 128 Ų | 128 | 125.3 Ų | 125.3 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.5 | -37.2 | 178.1 | -162.9 | 166.6 | 27.7 | 0 | 0 | 112.3 | P810 Q811 Q817 Q818 | P810-Q814 WeakPolarHBondContact O-CB 3.46Å; P810-Q814 PolarHBondContact O-N 2.92Å; Q811-Q814 PolarHBondContact O-N 3.32Å; Q814-Q817 PolarHBondContact O-N 2.86Å; Q814-Q818 WeakPolarHBondContact O-CG 3.4Å; Q814-Q818 PolarHBondContact O-N 2.89Å |
| 815 | Q | 64 | Low | 57.9 | Low | 130 Ų | 130 | 122.2 Ų | 122.2 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65 | -41.6 | 169.3 | -74.4 | -173.6 | 8.3 | 0 | 0 | 112.2 | Q811 Q818 F819 | Q811-Q815 WeakPolarHBondContact O-CB 3.5Å; Q811-Q815 WeakPolarHBondContact O-CG 3.49Å; Q811-Q815 PolarHBondContact O-N 3.5Å; Q815-Q818 PolarHBondContact O-N 2.86Å; Q815-F819 WeakPolarHBondContact O-CB 3.2Å; Q815-F819 PolarHBondContact O-N 2.9Å |
| 816 | R | 66.6 | Low | 58.3 | Low | 156 Ų | 156 | 122.2 Ų | 122.2 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62 | -45.1 | 174 | -106.4 | 175.5 | -85.8 | -155.7 | -8.8 | 112.1 | Q812 F813 F819 Q820 | Q812-R816 WeakPolarHBondContact O-CB 3.29Å; Q812-R816 PolarHBondContact O-N 2.94Å; Q812-R816 VanDerWaalsContact O-N 3.15Å; F813-R816 PolarHBondContact O-N 3.48Å; R816-F819 PolarHBondContact O-N 3.39Å; R816-Q820 VanDerWaalsContact O-CB 3.29Å; R816-Q820 WeakPolarHBondContact O-CB 3.44Å; R816-Q820 PolarHBondContact O-N 2.89Å |
| 817 | Q | 70.8 | Confident | 58.8 | Low | 73 Ų | 73 | 122.6 Ų | 122.6 | 34% | 0.341 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58 | -48.1 | 173.9 | -78.1 | -72.4 | -16.9 | 0 | 0 | 111.7 | F813 Q814 F819 Q820 Q821 | F813-Q817 HydrophobicContact CD1-CG 4.01Å; F813-Q817 HydrophobicContact CE1-CG 3.81Å; F813-Q817 HydrophobicContact CZ-CG 4.39Å; F813-Q817 WeakPolarHBondContact O-CB 3.29Å; F813-Q817 WeakPolarHBondContact O-CG 3.34Å; F813-Q817 PolarHBondContact O-N 2.89Å; Q814-Q817 PolarHBondContact O-N 2.86Å; Q817-F819 VanDerWaalsContact C-N 3.32Å; Q817-F819 PolarHBondContact O-N 3.25Å; Q817-Q820 PolarHBondContact O-N 2.9Å; Q817-Q821 WeakPolarHBondContact O-CB 3.45Å; Q817-Q821 VanDerWaalsContact O-CG 3.3Å; Q817-Q821 WeakPolarHBondContact O-CG 3.49Å; Q817-Q821 PolarHBondContact O-N 3.22Å |
| 818 | Q | 69.5 | Low | 59.3 | Low | 105 Ų | 105 | 117.2 Ų | 117.2 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -29.9 | 176.2 | -76 | -171.4 | -7.9 | 0 | 0 | 113.8 | Q814 Q815 R822 | Q814-Q818 WeakPolarHBondContact O-CG 3.4Å; Q814-Q818 PolarHBondContact O-N 2.89Å; Q815-Q818 PolarHBondContact O-N 2.86Å; Q818-R822 WeakPolarHBondContact O-CB 3.36Å; Q818-R822 WeakPolarHBondContact O-CG 3.15Å; Q818-R822 PolarHBondContact O-N 3.18Å; Q818-R822 VanDerWaalsContact O-N 3.14Å; Q818-R822 PolarHBondContact O-NE 3.04Å |
| 819 | F | 67.5 | Low | 59.8 | Low | 126 Ų | 126 | 115.8 Ų | 115.8 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.6 | -43.6 | 173.5 | -166.2 | -92 | 0 | 0 | 0 | 111.2 | Q815 R816 Q817 R822 Q823 | Q815-F819 WeakPolarHBondContact O-CB 3.2Å; Q815-F819 PolarHBondContact O-N 2.9Å; R816-F819 PolarHBondContact O-N 3.39Å; Q817-F819 VanDerWaalsContact C-N 3.32Å; Q817-F819 PolarHBondContact O-N 3.25Å; F819-R822 PolarHBondContact O-N 2.84Å; F819-Q823 HydrophobicContact CD1-CG 4.16Å; F819-Q823 HydrophobicContact CE1-CG 3.99Å; F819-Q823 WeakPolarHBondContact O-CG 3.38Å; F819-Q823 PolarHBondContact O-N 2.78Å |
| 820 | Q | 66.3 | Low | 60.2 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.1 | -37.6 | -178.6 | -154.8 | 159.6 | 33.8 | 0 | 0 | 111.9 | R816 Q817 Q823 Q824 | R816-Q820 VanDerWaalsContact O-CB 3.29Å; R816-Q820 WeakPolarHBondContact O-CB 3.44Å; R816-Q820 PolarHBondContact O-N 2.89Å; Q817-Q820 PolarHBondContact O-N 2.9Å; Q820-Q823 PolarHBondContact O-N 3.2Å; Q820-Q824 WeakPolarHBondContact O-CG 3.25Å; Q820-Q824 PolarHBondContact O-N 3.35Å |
| 821 | Q | 66.3 | Low | 60.8 | Low | 98 Ų | 98 | 118.6 Ų | 118.6 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 169 | -71.1 | 176.5 | 18.3 | 0 | 0 | 111.7 | Q817 Q823 Q824 F825 | Q817-Q821 WeakPolarHBondContact O-CB 3.45Å; Q817-Q821 VanDerWaalsContact O-CG 3.3Å; Q817-Q821 WeakPolarHBondContact O-CG 3.49Å; Q817-Q821 PolarHBondContact O-N 3.22Å; Q821-Q823 VanDerWaalsContact C-N 3.29Å; Q821-Q823 PolarHBondContact O-N 3.43Å; Q821-Q824 PolarHBondContact O-N 2.68Å; Q821-Q824 VanDerWaalsContact O-N 3.17Å; Q821-F825 WeakPolarHBondContact O-CD2 3.24Å; Q821-F825 PolarHBondContact O-N 2.68Å |
| 822 | R | 64 | Low | 61.2 | Low | 146 Ų | 146 | 115.7 Ų | 115.7 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.7 | -37.3 | 174.7 | -83.5 | -174.8 | -74.5 | -161.6 | -0.8 | 112.6 | Q818 F819 Q826 | Q818-R822 WeakPolarHBondContact O-CB 3.36Å; Q818-R822 WeakPolarHBondContact O-CG 3.15Å; Q818-R822 PolarHBondContact O-N 3.18Å; Q818-R822 VanDerWaalsContact O-N 3.14Å; Q818-R822 PolarHBondContact O-NE 3.04Å; F819-R822 PolarHBondContact O-N 2.84Å; R822-Q826 WeakPolarHBondContact O-CB 3.35Å; R822-Q826 VanDerWaalsContact O-CG 3.28Å; R822-Q826 WeakPolarHBondContact O-CG 3.37Å; R822-Q826 PolarHBondContact O-N 3.46Å |
| 823 | Q | 60.8 | Low | 61.3 | Low | 79 Ų | 79 | 115.4 Ų | 115.4 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 172.1 | -72.7 | -69.6 | -14.7 | 0 | 0 | 112 | F819 Q820 Q821 F825 Q826 Q827 | F819-Q823 HydrophobicContact CD1-CG 4.16Å; F819-Q823 HydrophobicContact CE1-CG 3.99Å; F819-Q823 WeakPolarHBondContact O-CG 3.38Å; F819-Q823 PolarHBondContact O-N 2.78Å; Q820-Q823 PolarHBondContact O-N 3.2Å; Q821-Q823 VanDerWaalsContact C-N 3.29Å; Q821-Q823 PolarHBondContact O-N 3.43Å; Q823-F825 VanDerWaalsContact C-N 3.32Å; Q823-F825 PolarHBondContact O-N 2.91Å; Q823-Q826 PolarHBondContact O-N 3.01Å; Q823-Q827 PolarHBondContact O-N 3.35Å; Q823-Q827 VanDerWaalsContact O-N 3.09Å |
| 824 | Q | 60.4 | Low | 61.4 | Low | 138 Ų | 138 | 115.3 Ų | 115.3 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.6 | -32.2 | 177.9 | -76.3 | -177.2 | -19.4 | 0 | 0 | 113.7 | Q820 Q821 P828 | Q820-Q824 WeakPolarHBondContact O-CG 3.25Å; Q820-Q824 PolarHBondContact O-N 3.35Å; Q821-Q824 PolarHBondContact O-N 2.68Å; Q821-Q824 VanDerWaalsContact O-N 3.17Å; Q824-P828 WeakPolarHBondContact O-CD 3.32Å |
| 825 | F | 55.5 | Low | 61.2 | Low | 156 Ų | 156 | 118.4 Ų | 118.4 | 68% | 0.684 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -80.5 | -24.1 | 173.9 | -83.1 | -75.6 | 0 | 0 | 0 | 114 | Q821 Q823 | Q821-F825 WeakPolarHBondContact O-CD2 3.24Å; Q821-F825 PolarHBondContact O-N 2.68Å; Q823-F825 VanDerWaalsContact C-N 3.32Å; Q823-F825 PolarHBondContact O-N 2.91Å |
| 826 | Q | 55.1 | Low | 61 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -82.5 | -35.4 | 178 | -76.5 | -178 | 20.6 | 0 | 0 | 113.8 | R822 Q823 Q829 Q830 | R822-Q826 WeakPolarHBondContact O-CB 3.35Å; R822-Q826 VanDerWaalsContact O-CG 3.28Å; R822-Q826 WeakPolarHBondContact O-CG 3.37Å; R822-Q826 PolarHBondContact O-N 3.46Å; Q823-Q826 PolarHBondContact O-N 3.01Å; Q826-Q829 PolarHBondContact O-N 2.96Å; Q826-Q830 PolarHBondContact O-N 3.11Å |
| 827 | Q | 56.4 | Low | 60.9 | Low | 119 Ų | 119 | 117.2 Ų | 117.2 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.1 | -45 | -178.2 | -73.5 | -177.9 | 11.3 | 0 | 0 | 113.9 | Q823 Q829 Q830 Q831 | Q823-Q827 PolarHBondContact O-N 3.35Å; Q823-Q827 VanDerWaalsContact O-N 3.09Å; Q827-Q829 PolarHBondContact O-N 3.45Å; Q827-Q830 PolarHBondContact O-N 2.88Å; Q827-Q831 PolarHBondContact O-N 3.49Å; Q827-Q831 VanDerWaalsContact O-N 3.12Å |
| 828 | P | 53.5 | Low | 60.6 | Low | 75 Ų | 75 | 116.5 Ų | 116.5 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.4 | -23.7 | 34.4 | 0 | 0 | 0 | 112.5 | Q824 Q830 Q831 T832 | Q824-P828 WeakPolarHBondContact O-CD 3.32Å; P828-Q830 PolarHBondContact O-N 3.26Å; P828-Q831 PolarHBondContact O-N 3.03Å; P828-T832 PolarHBondContact O-N 2.67Å; P828-T832 PolarHBondContact O-OG1 3.02Å |
| 829 | Q | 56.1 | Low | 60.4 | Low | 125 Ų | 125 | 117.9 Ų | 117.9 | 58% | 0.584 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.9 | -38 | -179.4 | -68.5 | -168.6 | -0.8 | 0 | 0 | 112.5 | Q826 Q827 T832 Q833 | Q826-Q829 PolarHBondContact O-N 2.96Å; Q827-Q829 PolarHBondContact O-N 3.45Å; Q829-T832 PolarHBondContact O-N 2.96Å; Q829-Q833 WeakPolarHBondContact O-CG 3.41Å; Q829-Q833 PolarHBondContact O-N 3.06Å |
| 830 | Q | 58.3 | Low | 60.6 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 174.9 | -68.6 | -171.2 | 24.6 | 0 | 0 | 111.8 | Q826 Q827 P828 Q833 Q834 | Q826-Q830 PolarHBondContact O-N 3.11Å; Q827-Q830 PolarHBondContact O-N 2.88Å; P828-Q830 PolarHBondContact O-N 3.26Å; Q830-Q833 PolarHBondContact O-N 2.96Å; Q830-Q834 WeakPolarHBondContact O-CB 3.4Å; Q830-Q834 WeakPolarHBondContact O-CG 3.24Å; Q830-Q834 PolarHBondContact O-N 3.4Å |
| 831 | Q | 58.4 | Low | 60.8 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -38.3 | 173.4 | -71.1 | -170.8 | 8.7 | 0 | 0 | 112.5 | Q827 P828 Q834 R835 | Q827-Q831 PolarHBondContact O-N 3.49Å; Q827-Q831 VanDerWaalsContact O-N 3.12Å; P828-Q831 PolarHBondContact O-N 3.03Å; Q831-Q834 PolarHBondContact O-N 3.43Å; Q831-R835 PolarHBondContact O-N 3.08Å |
| 832 | T | 58.6 | Low | 61.3 | Low | 89 Ų | 89 | 113.8 Ų | 113.8 | 55% | 0.546 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 173.5 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | P828 Q829 Q834 R835 T836 | P828-T832 PolarHBondContact O-N 2.67Å; P828-T832 PolarHBondContact O-OG1 3.02Å; Q829-T832 PolarHBondContact O-N 2.96Å; T832-Q834 PolarHBondContact O-N 3.17Å; T832-R835 PolarHBondContact O-N 3.49Å; T832-T836 PolarHBondContact O-N 3.43Å; T832-T836 PolarHBondContact O-OG1 3.27Å |
| 833 | Q | 58.7 | Low | 61.8 | Low | 106 Ų | 106 | 112.4 Ų | 112.4 | 50% | 0.495 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 176.5 | -74 | -171.4 | 32.1 | 0 | 0 | 112.7 | Q829 Q830 T836 R837 | Q829-Q833 WeakPolarHBondContact O-CG 3.41Å; Q829-Q833 PolarHBondContact O-N 3.06Å; Q830-Q833 PolarHBondContact O-N 2.96Å; Q833-T836 WeakPolarHBondContact CA-OG1 3.39Å; Q833-T836 PolarHBondContact O-N 3.42Å; Q833-T836 PolarHBondContact O-OG1 2.9Å; Q833-R837 WeakPolarHBondContact O-CB 3.32Å; Q833-R837 VanDerWaalsContact O-CG 3.31Å; Q833-R837 WeakPolarHBondContact O-CG 3.46Å; Q833-R837 PolarHBondContact O-N 3.38Å |
| 834 | Q | 59.7 | Low | 62.4 | Low | 130 Ų | 130 | 113.8 Ų | 113.8 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.8 | -44.5 | 173.9 | -74.3 | 179.8 | 5.6 | 0 | 0 | 111.5 | Q830 Q831 T832 T836 R837 S838 | Q830-Q834 WeakPolarHBondContact O-CB 3.4Å; Q830-Q834 WeakPolarHBondContact O-CG 3.24Å; Q830-Q834 PolarHBondContact O-N 3.4Å; Q831-Q834 PolarHBondContact O-N 3.43Å; T832-Q834 PolarHBondContact O-N 3.17Å; Q834-T836 PolarHBondContact O-N 3.47Å; Q834-R837 PolarHBondContact O-N 3.38Å; Q834-S838 PolarHBondContact O-N 3.39Å; Q834-S838 PolarHBondContact O-OG 2.8Å |
| 835 | R | 58.1 | Low | 63.1 | Low | 192 Ų | 192 | 112 Ų | 112 | 73% | 0.725 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 173.5 | -78.9 | -167.7 | -178.3 | -151.4 | 2.6 | 112.7 | Q831 T832 R837 S838 F839 | Q831-R835 PolarHBondContact O-N 3.08Å; T832-R835 PolarHBondContact O-N 3.49Å; R835-R837 VanDerWaalsContact C-N 3.32Å; R835-R837 PolarHBondContact O-N 3.01Å; R835-S838 PolarHBondContact O-N 3.06Å; R835-S838 PolarHBondContact O-OG 2.8Å; R835-S838 VanDerWaalsContact O-OG 3.04Å; R835-F839 VanDerWaalsContact O-CB 3.25Å; R835-F839 WeakPolarHBondContact O-CB 3.37Å; R835-F839 PolarHBondContact O-N 2.97Å |
| 836 | T | 59.9 | Low | 64.2 | Low | 85 Ų | 85 | 110.3 Ų | 110.3 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.7 | -33.2 | 177 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | T832 Q833 Q834 S840 | T832-T836 PolarHBondContact O-N 3.43Å; T832-T836 PolarHBondContact O-OG1 3.27Å; Q833-T836 WeakPolarHBondContact CA-OG1 3.39Å; Q833-T836 PolarHBondContact O-N 3.42Å; Q833-T836 PolarHBondContact O-OG1 2.9Å; Q834-T836 PolarHBondContact O-N 3.47Å; T836-S840 WeakPolarHBondContact O-CB 3.39Å; T836-S840 PolarHBondContact O-N 3.19Å |
| 837 | R | 64.5 | Low | 65 | Low | 176 Ų | 176 | 108.2 Ų | 108.2 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.6 | -39.1 | 174.2 | -74.8 | 178.6 | -174.7 | -160 | 3.3 | 112.6 | Q833 Q834 R835 S841 | Q833-R837 WeakPolarHBondContact O-CB 3.32Å; Q833-R837 VanDerWaalsContact O-CG 3.31Å; Q833-R837 WeakPolarHBondContact O-CG 3.46Å; Q833-R837 PolarHBondContact O-N 3.38Å; Q834-R837 PolarHBondContact O-N 3.38Å; R835-R837 VanDerWaalsContact C-N 3.32Å; R835-R837 PolarHBondContact O-N 3.01Å; R837-S841 WeakPolarHBondContact O-CB 3.28Å; R837-S841 PolarHBondContact O-N 3.29Å; R837-S841 PolarHBondContact O-OG 2.94Å |
| 838 | S | 63.8 | Low | 65.9 | Low | 59 Ų | 59 | 109.8 Ų | 109.8 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.3 | -49.2 | 175.9 | 68.5 | 0 | 0 | 0 | 0 | 110.7 | Q834 R835 S840 S841 E842 | Q834-S838 PolarHBondContact O-N 3.39Å; Q834-S838 PolarHBondContact O-OG 2.8Å; R835-S838 PolarHBondContact O-N 3.06Å; R835-S838 PolarHBondContact O-OG 2.8Å; R835-S838 VanDerWaalsContact O-OG 3.04Å; S838-S840 VanDerWaalsContact C-N 3.32Å; S838-S840 PolarHBondContact O-N 3.42Å; S838-S841 WeakPolarHBondContact O-CA 3.33Å; S838-S841 WeakPolarHBondContact O-CB 3.43Å; S838-S841 PolarHBondContact O-N 3.17Å; S838-E842 WeakPolarHBondContact O-CG 3.28Å; S838-E842 PolarHBondContact O-N 3.11Å |
| 839 | F | 67.1 | Low | 66.9 | Low | 133 Ų | 133 | 111.9 Ų | 111.9 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.3 | -36.5 | 179.8 | -154.2 | -102.4 | 0 | 0 | 0 | 112.2 | R835 M843 | R835-F839 VanDerWaalsContact O-CB 3.25Å; R835-F839 WeakPolarHBondContact O-CB 3.37Å; R835-F839 PolarHBondContact O-N 2.97Å; F839-M843 HydrophobicContact CD1-CE 3.89Å; F839-M843 HydrophobicContact CE1-CE 3.74Å; F839-M843 VanDerWaalsContact O-CB 3.22Å; F839-M843 WeakPolarHBondContact O-CB 3.42Å; F839-M843 PolarHBondContact O-N 2.8Å |
| 840 | S | 69.8 | Low | 67.6 | Low | 61 Ų | 61 | 111.1 Ų | 111.1 | 43% | 0.427 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 171.9 | -175.6 | 0 | 0 | 0 | 0 | 112.7 | T836 S838 Q844 | T836-S840 WeakPolarHBondContact O-CB 3.39Å; T836-S840 PolarHBondContact O-N 3.19Å; S838-S840 VanDerWaalsContact C-N 3.32Å; S838-S840 PolarHBondContact O-N 3.42Å; S840-Q844 WeakPolarHBondContact O-CB 3.43Å; S840-Q844 WeakPolarHBondContact O-CG 3.45Å; S840-Q844 PolarHBondContact O-N 3.35Å |
| 841 | S | 71.6 | Confident | 67.9 | Low | 74 Ų | 74 | 109.2 Ų | 109.2 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 112 | R837 S838 M843 Q844 E845 | R837-S841 WeakPolarHBondContact O-CB 3.28Å; R837-S841 PolarHBondContact O-N 3.29Å; R837-S841 PolarHBondContact O-OG 2.94Å; S838-S841 WeakPolarHBondContact O-CA 3.33Å; S838-S841 WeakPolarHBondContact O-CB 3.43Å; S838-S841 PolarHBondContact O-N 3.17Å; S841-M843 VanDerWaalsContact C-N 3.34Å; S841-M843 PolarHBondContact O-N 2.66Å; S841-Q844 PolarHBondContact O-N 2.97Å; S841-E845 PolarHBondContact O-N 3.04Å |
| 842 | E | 76.2 | Confident | 68 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -42.8 | 175.2 | -70.5 | 173.9 | 138.6 | 0 | 0 | 111.3 | S838 E845 M846 | S838-E842 WeakPolarHBondContact O-CG 3.28Å; S838-E842 PolarHBondContact O-N 3.11Å; E842-E845 PolarHBondContact O-N 3.41Å; E842-M846 WeakPolarHBondContact O-CB 3.44Å; E842-M846 PolarHBondContact O-N 3.48Å |
| 843 | M | 74.3 | Confident | 68.1 | Low | 116 Ų | 116 | 112.9 Ų | 112.9 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.8 | -38.2 | 177.3 | -164.7 | -174 | -59.5 | 0 | 0 | 112.1 | F839 S841 A847 | F839-M843 HydrophobicContact CD1-CE 3.89Å; F839-M843 HydrophobicContact CE1-CE 3.74Å; F839-M843 VanDerWaalsContact O-CB 3.22Å; F839-M843 WeakPolarHBondContact O-CB 3.42Å; F839-M843 PolarHBondContact O-N 2.8Å; S841-M843 VanDerWaalsContact C-N 3.34Å; S841-M843 PolarHBondContact O-N 2.66Å; M843-A847 VanDerWaalsContact O-CB 3.3Å; M843-A847 WeakPolarHBondContact O-CB 2.98Å; M843-A847 PolarHBondContact O-N 3.18Å |
| 844 | Q | 74.4 | Confident | 67.8 | Low | 108 Ų | 108 | 114.5 Ų | 114.5 | 51% | 0.505 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.8 | -37.8 | 171.5 | -78.8 | -170.3 | 19.6 | 0 | 0 | 112.5 | S840 S841 R848 | S840-Q844 WeakPolarHBondContact O-CB 3.43Å; S840-Q844 WeakPolarHBondContact O-CG 3.45Å; S840-Q844 PolarHBondContact O-N 3.35Å; S841-Q844 PolarHBondContact O-N 2.97Å; Q844-R848 WeakPolarHBondContact O-CB 3.14Å; Q844-R848 VanDerWaalsContact O-CG 3.31Å; Q844-R848 WeakPolarHBondContact O-CG 3.41Å; Q844-R848 PolarHBondContact O-N 2.96Å |
| 845 | E | 75.8 | Confident | 67.4 | Low | 101 Ų | 101 | 114.9 Ų | 114.9 | 47% | 0.472 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.4 | -37.7 | 177 | -163.4 | 178.5 | 127.3 | 0 | 0 | 111.9 | S841 E842 R848 K849 | S841-E845 PolarHBondContact O-N 3.04Å; E842-E845 PolarHBondContact O-N 3.41Å; E845-R848 PolarHBondContact O-N 3.4Å; E845-K849 HydrophobicContact CG-CD 4.45Å; E845-K849 WeakPolarHBondContact O-CB 3.5Å; E845-K849 WeakPolarHBondContact O-CG 3.45Å; E845-K849 PolarHBondContact O-N 3.48Å; E845-K849 WeakPolarHBondContact OE1-CE 3.26Å; E845-K849 IonicContact OE1-NZ 2.61Å; E845-K849 PolarHBondContact OE1-NZ 3.44Å |
| 846 | M | 77.1 | Confident | 66.9 | Low | 121 Ų | 121 | 108.5 Ų | 108.5 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -42.5 | 171.9 | -171.8 | -179.6 | -72.3 | 0 | 0 | 111.3 | E842 K849 M850 | E842-M846 WeakPolarHBondContact O-CB 3.44Å; E842-M846 PolarHBondContact O-N 3.48Å; M846-K849 PolarHBondContact O-N 3.3Å; M846-M850 HydrophobicContact CG-CE 4.31Å; M846-M850 PolarHBondContact O-N 3.38Å |
| 847 | A | 73.3 | Confident | 66.4 | Low | 45 Ų | 45 | 112.7 Ų | 112.7 | 37% | 0.372 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.1 | -47.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M843 K849 M850 S851 | M843-A847 VanDerWaalsContact O-CB 3.3Å; M843-A847 WeakPolarHBondContact O-CB 2.98Å; M843-A847 PolarHBondContact O-N 3.18Å; A847-K849 VanDerWaalsContact C-N 3.32Å; A847-K849 PolarHBondContact O-N 3.2Å; A847-M850 PolarHBondContact O-N 3.38Å; A847-S851 WeakPolarHBondContact O-CB 3.43Å; A847-S851 PolarHBondContact O-N 2.78Å; A847-S851 PolarHBondContact O-OG 3.17Å; A847-S851 VanDerWaalsContact O-OG 3.05Å |
| 848 | R | 75 | Confident | 65.2 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 58% | 0.577 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.9 | -38.2 | 174.6 | -75.9 | 172.5 | 179.4 | 151.8 | 3.7 | 112.8 | Q844 E845 R852 | Q844-R848 WeakPolarHBondContact O-CB 3.14Å; Q844-R848 VanDerWaalsContact O-CG 3.31Å; Q844-R848 WeakPolarHBondContact O-CG 3.41Å; Q844-R848 PolarHBondContact O-N 2.96Å; E845-R848 PolarHBondContact O-N 3.4Å; R848-R852 WeakPolarHBondContact O-CG 3.28Å; R848-R852 PolarHBondContact O-N 3.45Å |
| 849 | K | 75.2 | Confident | 64 | Low | 119 Ų | 119 | 121.5 Ų | 121.5 | 52% | 0.517 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.4 | -50.4 | 175.3 | -76.5 | 169.4 | -176.7 | 166.6 | 0 | 110.6 | E845 M846 A847 S851 R852 T853 | E845-K849 HydrophobicContact CG-CD 4.45Å; E845-K849 WeakPolarHBondContact O-CB 3.5Å; E845-K849 WeakPolarHBondContact O-CG 3.45Å; E845-K849 PolarHBondContact O-N 3.48Å; E845-K849 WeakPolarHBondContact OE1-CE 3.26Å; E845-K849 IonicContact OE1-NZ 2.61Å; E845-K849 PolarHBondContact OE1-NZ 3.44Å; M846-K849 PolarHBondContact O-N 3.3Å; A847-K849 VanDerWaalsContact C-N 3.32Å; A847-K849 PolarHBondContact O-N 3.2Å; K849-S851 PolarHBondContact O-N 3.4Å; K849-R852 PolarHBondContact O-N 3.34Å; K849-R852 VanDerWaalsContact O-N 3.1Å; K849-T853 PolarHBondContact O-N 3.44Å; K849-T853 PolarHBondContact O-OG1 3.3Å; K849-T853 VanDerWaalsContact O-OG1 3.06Å |
| 850 | M | 69.2 | Low | 62.6 | Low | 109 Ų | 109 | 124.4 Ų | 124.4 | 54% | 0.537 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -60.3 | -40.9 | 175.6 | -71 | -165.6 | -69.4 | 0 | 0 | 112.6 | M846 A847 R852 T853 L854 | M846-M850 HydrophobicContact CG-CE 4.31Å; M846-M850 PolarHBondContact O-N 3.38Å; A847-M850 PolarHBondContact O-N 3.38Å; M850-R852 VanDerWaalsContact C-N 3.32Å; M850-R852 PolarHBondContact O-N 2.65Å; M850-T853 PolarHBondContact O-N 2.96Å; M850-L854 WeakPolarHBondContact O-CB 3.43Å; M850-L854 WeakPolarHBondContact O-CG 3.19Å; M850-L854 PolarHBondContact O-N 3.48Å |
| 851 | S | 65.3 | Low | 61.1 | Low | 70 Ų | 70 | 129.8 Ų | 129.8 | 49% | 0.49 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.4 | -37.6 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | A847 K849 L855 | A847-S851 WeakPolarHBondContact O-CB 3.43Å; A847-S851 PolarHBondContact O-N 2.78Å; A847-S851 PolarHBondContact O-OG 3.17Å; A847-S851 VanDerWaalsContact O-OG 3.05Å; K849-S851 PolarHBondContact O-N 3.4Å; S851-L855 WeakPolarHBondContact O-CB 3.37Å; S851-L855 WeakPolarHBondContact O-CD1 3.3Å; S851-L855 PolarHBondContact O-N 3.5Å |
| 852 | R | 61.3 | Low | 59.8 | Low | 196 Ų | 196 | 134.5 Ų | 134.5 | 74% | 0.74 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.6 | -42.8 | 174.4 | -74.4 | 174.4 | -179.1 | -175 | 0.3 | 111.9 | R848 K849 M850 L854 L855 G856 | R848-R852 WeakPolarHBondContact O-CG 3.28Å; R848-R852 PolarHBondContact O-N 3.45Å; K849-R852 PolarHBondContact O-N 3.34Å; K849-R852 VanDerWaalsContact O-N 3.1Å; M850-R852 VanDerWaalsContact C-N 3.32Å; M850-R852 PolarHBondContact O-N 2.65Å; R852-L854 VanDerWaalsContact C-N 3.32Å; R852-L854 PolarHBondContact O-N 2.89Å; R852-L855 PolarHBondContact O-N 3.44Å; R852-G856 PolarHBondContact O-N 3.04Å |
| 853 | T | 59.1 | Low | 57.9 | Low | 94 Ų | 94 | 136.6 Ų | 136.6 | 58% | 0.577 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.2 | -38 | 175.8 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | K849 M850 | K849-T853 PolarHBondContact O-N 3.44Å; K849-T853 PolarHBondContact O-OG1 3.3Å; K849-T853 VanDerWaalsContact O-OG1 3.06Å; M850-T853 PolarHBondContact O-N 2.96Å |
| 854 | L | 53.2 | Low | 56.3 | Low | 141 Ų | 141 | 136.9 Ų | 136.9 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -78.3 | -26.7 | 179.9 | -71.1 | 168.5 | 0 | 0 | 0 | 114 | M850 R852 | M850-L854 WeakPolarHBondContact O-CB 3.43Å; M850-L854 WeakPolarHBondContact O-CG 3.19Å; M850-L854 PolarHBondContact O-N 3.48Å; R852-L854 VanDerWaalsContact C-N 3.32Å; R852-L854 PolarHBondContact O-N 2.89Å |
| 855 | L | 51.4 | Low | 54.7 | Low | 138 Ų | 138 | 140.8 Ų | 140.8 | 72% | 0.723 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -79.4 | -30.2 | 168.9 | -95.4 | 68.9 | 0 | 0 | 0 | 112.2 | S851 R852 H857 | S851-L855 WeakPolarHBondContact O-CB 3.37Å; S851-L855 WeakPolarHBondContact O-CD1 3.3Å; S851-L855 PolarHBondContact O-N 3.5Å; R852-L855 PolarHBondContact O-N 3.44Å; L855-H857 PolarHBondContact O-N 3.16Å |
| 856 | G | 47.2 | Very low | 53 | Low | 57 Ų | 57 | 141.6 Ų | 141.6 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 13.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | R852 | R852-G856 PolarHBondContact O-N 3.04Š|
| 857 | H | 49.4 | Very low | 51.1 | Low | 173 Ų | 173 | 143 Ų | 143 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 25.2 | -178.9 | -83.5 | 12.2 | 0 | 0 | 0 | 112.9 | L855 | L855-H857 PolarHBondContact O-N 3.16Š|
| 858 | R | 40.2 | Very low | 49.4 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -143.1 | 23.9 | -174.3 | -144.5 | 178.9 | -176 | 167.8 | 2.8 | 116.9 | ||
| 859 | Q | 38.6 | Very low | 47.5 | Very low | 191 Ų | 191 | 150.5 Ų | 150.5 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -154 | 52.9 | -177.7 | -124.1 | 163.5 | 9.8 | 0 | 0 | 115.5 | ||||
| 860 | E | 37 | Very low | 45.7 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | -129.5 | 56.6 | 173.6 | -69.1 | -166 | 145.1 | 0 | 0 | 113.2 | ||||
| 861 | Q | 39.4 | Very low | 44.2 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -142.3 | 149.2 | 165.3 | -68.3 | -168.4 | -16.4 | 0 | 0 | 110.9 | ||||
| 862 | H | 42.8 | Very low | 42.8 | Very low | 173 Ų | 173 | 160.2 Ų | 160.2 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | trans | 77.1 | 57.8 | 178.1 | -58.5 | -70.5 | 0 | 0 | 0 | 118.8 | ||||
| 863 | E | 36.7 | Very low | 41.5 | Very low | 166 Ų | 166 | 156 Ų | 156 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | 24.1 | 142.4 | 114 | -78.1 | -163.2 | 112.2 | 0 | 0 | 123.3 | |||||
| 864 | N | 41.5 | Very low | 40.5 | Very low | 123 Ų | 123 | 155 Ų | 155 | 66% | 0.658 | 78% | 0.775 | S | S | * | * | trans | 65.1 | 96.7 | 136.6 | -61.6 | -24.3 | 0 | 0 | 0 | 121.2 | ||||
| 865 | Q | 40.6 | Very low | 39.7 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | 177.2 | 147.7 | 85 | -87.8 | -170.8 | 16.6 | 0 | 0 | 112.7 | |||||
| 866 | P | 40.4 | Very low | 39.2 | Very low | 119 Ų | 119 | 159.6 Ų | 159.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -119.4 | 145.6 | 173.7 | 38.2 | -27.6 | 0 | 0 | 0 | 114.5 | ||||
| 867 | N | 36.2 | Very low | 38.9 | Very low | 151 Ų | 151 | 160.5 Ų | 160.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -169.8 | 162.5 | 130.8 | -127.6 | -37.8 | 0 | 0 | 0 | 117.8 | ||||
| 868 | M | 38.2 | Very low | 38.8 | Very low | 156 Ų | 156 | 158.7 Ų | 158.7 | 77% | 0.768 | 80% | 0.802 | S | S | * | * | trans | 74.3 | 148.6 | 154.4 | -70.7 | -65 | -91.4 | 0 | 0 | 121.5 | ||||
| 869 | R | 35 | Very low | 39 | Very low | 198 Ų | 198 | 159 Ų | 159 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -106.5 | 158 | -173.9 | -54.4 | 165.4 | 176 | 165.2 | -3.8 | 109.9 | ||||
| 870 | Y | 37.7 | Very low | 39.5 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | 164.5 | 145.2 | 107.1 | -89.9 | -66.6 | 0 | 0 | 0 | 114 | |||||
| 871 | L | 36.5 | Very low | 39.8 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | 51 | 106.2 | 145.9 | -66.8 | 162 | 0 | 0 | 0 | 122.6 | ||||
| 872 | K | 35.9 | Very low | 39.9 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | 68.3 | 127.6 | 105.5 | -156.9 | -169.3 | 177.5 | -174.1 | 0 | 121.4 | |||||
| 873 | S | 35.4 | Very low | 39.8 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 70 | 135.8 | 150.9 | 50.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 874 | G | 36.8 | Very low | 40.2 | Very low | 72 Ų | 72 | 152.1 Ų | 152.1 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 81.3 | 158.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 875 | E | 38 | Very low | 40.2 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | cis | -164.2 | 165.9 | -25.9 | -129.2 | 163.6 | -168.9 | 0 | 0 | 109.8 | ||||
| 876 | E | 39.8 | Very low | 40.3 | Very low | 190 Ų | 190 | 144 Ų | 144 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | 26.9 | 123.2 | 164.5 | -52.7 | -157.9 | 128.6 | 0 | 0 | 124.8 | ||||
| 877 | G | 41.1 | Very low | 40.4 | Very low | 76 Ų | 76 | 147.4 Ų | 147.4 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 83.1 | 177 | 131 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 878 | P | 47.8 | Very low | 40.6 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | cis | -123.7 | -174.9 | -0.3 | 41.6 | -27.3 | 0 | 0 | 0 | 116 | ||||
| 879 | R | 44.6 | Very low | 40.8 | Very low | 237 Ų | 237 | 146.2 Ų | 146.2 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -86.8 | -170.5 | 174.6 | -78.9 | -172.6 | 175.6 | -154.2 | 1.1 | 111.3 | ||||
| 880 | P | 49.2 | Very low | 41 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | cis | -152.3 | -179.9 | 16.6 | 45.7 | -24.4 | 0 | 0 | 0 | 121.3 | ||||
| 881 | G | 41.9 | Very low | 41.1 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 115.6 | 150.4 | 151 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 882 | R | 41 | Very low | 41.4 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | cis | -165.9 | 178.3 | -21.8 | -141.3 | -174.7 | -162.8 | -103.9 | 6 | 109.1 | ||||
| 883 | F | 42.7 | Very low | 41.7 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | 80.2 | 155.1 | 177.1 | -64.3 | -87.4 | 0 | 0 | 0 | 118.6 | ||||
| 884 | D | 44.2 | Very low | 42.4 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | -164.6 | 159.2 | -61.6 | -134.6 | -36.8 | 0 | 0 | 0 | 112.6 | |||||
| 885 | G | 41.9 | Very low | 42.5 | Very low | 69 Ų | 69 | 145.4 Ų | 145.4 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 84.3 | 128 | 147.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 886 | G | 41.6 | Very low | 42.8 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | 78.3 | 111.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 887 | E | 42.2 | Very low | 42.6 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | cis | 81.1 | 125 | 33.6 | -62.3 | -161.4 | 138.5 | 0 | 0 | 118.3 | ||||
| 888 | E | 41.5 | Very low | 42.5 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 64.2 | 120.8 | 147.4 | -70.5 | -120.9 | 105.8 | 0 | 0 | 124.2 | ||||
| 889 | S | 41.9 | Very low | 42.1 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 92 | 141.6 | 130.8 | 83.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 890 | G | 40.1 | Very low | 41.9 | Very low | 82 Ų | 82 | 143 Ų | 143 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 97.5 | 105.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 891 | G | 39.3 | Very low | 41.3 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | 132.6 | 104 | 128.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 892 | R | 42 | Very low | 41.1 | Very low | 251 Ų | 251 | 144.4 Ų | 144.4 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | trans | 58.3 | 109 | 133.3 | -58.5 | 179.9 | -177.7 | -170.2 | 0.6 | 119.9 | ||||
| 893 | K | 43.5 | Very low | 40.9 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -62.1 | 164.5 | 154.6 | -51.7 | 179.9 | 178.8 | -176.8 | 0 | 112 | ||||
| 894 | P | 50.6 | Low | 40.7 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -108.6 | 131.3 | 138.7 | 33.5 | -28.2 | 0 | 0 | 0 | 112.3 | ||||
| 895 | N | 37.8 | Very low | 40.4 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -93.6 | 145 | 165 | -111.2 | -9.6 | 0 | 0 | 0 | 109.2 | ||||
| 896 | R | 43.4 | Very low | 40.1 | Very low | 255 Ų | 255 | 144.7 Ų | 144.7 | 96% | 0.962 | 76% | 0.761 | S | S | * | * | trans | 170.7 | 139.5 | 145.3 | -92.6 | 148.1 | -166.7 | -157.6 | 5 | 109.4 | ||||
| 897 | G | 37 | Very low | 39.8 | Very low | 62 Ų | 62 | 147.7 Ų | 147.7 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | cis | 156.1 | 170.7 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 898 | L | 38.2 | Very low | 39.5 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 69.9 | 148.1 | 177.6 | -68.5 | 64 | 0 | 0 | 0 | 113.7 | ||||
| 899 | K | 40.4 | Very low | 39.1 | Very low | 172 Ų | 172 | 144 Ų | 144 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | cis | -147.4 | 127.1 | -5.1 | -116.2 | 162.3 | -178 | 175.8 | 0 | 106.4 | ||||
| 900 | V | 39.6 | Very low | 38.7 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | 74.3 | 132.9 | 95.6 | 163.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 901 | A | 36.8 | Very low | 38.5 | Very low | 61 Ų | 61 | 147.3 Ų | 147.3 | 50% | 0.504 | 73% | 0.733 | S | S | . | * | cis | -177.2 | 160.8 | -20 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 902 | K | 38.4 | Very low | 38.3 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 67.9 | 155.8 | 144.3 | -72.3 | 155.5 | -169.9 | 170.8 | 0 | 116.4 | ||||
| 903 | R | 36 | Very low | 37.9 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 68% | 0.683 | 72% | 0.718 | S | S | * | * | cis | -151.8 | 138 | 4.3 | -121.9 | 152.8 | -174.8 | -179.2 | -2.4 | 107.9 | ||||
| 904 | R | 37.8 | Very low | 37.6 | Very low | 184 Ų | 184 | 147 Ų | 147 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | 59.3 | 142.2 | 108.2 | -66.7 | -168.9 | -178.1 | -177.8 | -5.3 | 115.5 | |||||
| 905 | F | 37.5 | Very low | 36.9 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | cis | -157.5 | 169.8 | 7.3 | -106.7 | 172.5 | 0 | 0 | 0 | 106.5 | ||||
| 906 | N | 37 | Very low | 36.9 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 56% | 0.561 | 72% | 0.719 | S | S | * | * | cis | -159.1 | 154.1 | 18.5 | -120.8 | -12.9 | 0 | 0 | 0 | 109.8 | ||||
| 907 | N | 35.6 | Very low | 36.7 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | 36.6 | 144.3 | 138 | -49.8 | -18 | 0 | 0 | 0 | 121.4 | ||||
| 908 | K | 34.4 | Very low | 36.8 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 74% | 0.735 | 73% | 0.725 | S | S | * | * | cis | -160.8 | 136.9 | 15.9 | -145.6 | -171.4 | 166.9 | -172.9 | 0 | 112.7 | ||||
| 909 | M | 33 | Very low | 36.8 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 58% | 0.576 | 73% | 0.728 | S | S | * | * | trans | 36.5 | 127.5 | 141 | -68.3 | 157.2 | 64 | 0 | 0 | 122.7 | ||||
| 910 | E | 34.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 77% | 0.771 | 73% | 0.731 | S | S | * | * | 69.7 | 153.1 | 125 | -62.4 | 154.5 | -167.4 | 0 | 0 | 118.9 | |||||
| 911 | S | 36.2 | Very low | 36.7 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | cis | -139 | 154.3 | 6.8 | 71.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 912 | E | 35.2 | Very low | 36.6 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | 52.4 | 140.9 | 95.4 | -50.3 | -159.8 | 129.6 | 0 | 0 | 116 | |||||
| 913 | R | 33.8 | Very low | 36.8 | Very low | 194 Ų | 194 | 152 Ų | 152 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | cis | -171.5 | -170.2 | -2.1 | -112.4 | -175.5 | -142 | -163.1 | 13.6 | 108.2 | ||||
| 914 | Q | 37.8 | Very low | 36.8 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 79.9 | 107.7 | 165.9 | -62 | 176.1 | -19.6 | 0 | 0 | 114.9 | ||||
| 915 | D | 35.5 | Very low | 36.8 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | 83.6 | 114.1 | 44 | -57.9 | -42.7 | 0 | 0 | 0 | 112.8 | ||||
| 916 | S | 38.1 | Very low | 36.7 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -175.5 | 93.9 | 148.3 | -80.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 917 | D | 38.2 | Very low | 36.7 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -72.4 | 147.8 | 160.7 | -67.7 | -61.1 | 0 | 0 | 0 | 110.3 | ||||
| 918 | S | 39.5 | Very low | 36.8 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -159.1 | 129.6 | 149.5 | -51.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 919 | D | 38.8 | Very low | 36.9 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -66.7 | 149.8 | 166.5 | -90 | -72 | 0 | 0 | 0 | 112.5 | ||||
| 920 | G | 39.2 | Very low | 37.2 | Very low | 80 Ų | 80 | 153.4 Ų | 153.4 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -153.3 | 99.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 921 | R | 38.8 | Very low | 37.4 | Very low | 207 Ų | 207 | 152.5 Ų | 152.5 | 78% | 0.781 | 83% | 0.832 | S | S | * | * | trans | -99.8 | 164.1 | 178.1 | -86.3 | -171.9 | -102 | 177.2 | -7.8 | 112.7 | ||||
| 922 | F | 32.8 | Very low | 37.5 | Very low | 187 Ų | 187 | 157.3 Ų | 157.3 | 82% | 0.82 | 85% | 0.846 | S | S | * | * | trans | 77.9 | 106.7 | 169.1 | -63.1 | -80.2 | 0 | 0 | 0 | 117.6 | ||||
| 923 | C | 42.8 | Very low | 37.8 | Very low | 201 Ų | 201 | 159 Ų | 159 | 100% | 1.358 | 86% | 0.864 | S | S | * | * | -118.2 | 0 | 88.7 | -77.7 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 923 of 923 residues in 424.8 ms
(Link to these results)