| 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 | 40.7 | Very low | 37.5 | Very low | 237 Ų | 237 | 120.7 Ų | 120.7 | 100% | 1.167 | 80% | 0.8 | S | S | * | * | 0 | 123.3 | 0 | -61.2 | 165.1 | -177.3 | 0 | 0 | 106.3 | |||||
| 2 | T | 39.5 | Very low | 37.6 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | cis | -161.8 | 147.6 | -2.1 | 22.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | S | 35.7 | Very low | 37.5 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 35.9 | 147.3 | 148.9 | -57.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 4 | A | 37.3 | Very low | 37.2 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | cis | -167.6 | 151.6 | -12.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 5 | V | 35.6 | Very low | 36.9 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 1.1 | 133.7 | 137.3 | 172.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 6 | V | 38.2 | Very low | 36.6 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | -141.3 | 129.4 | 117.3 | 149.5 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 7 | D | 35.9 | Very low | 36.8 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | trans | -100 | 158.9 | 168.6 | 170.3 | -100.5 | 0 | 0 | 0 | 109.7 | G9 | D7-G9 PolarHBondContact OD1-N 3.37Š| ||
| 8 | S | 40.5 | Very low | 36.9 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -154.6 | 96.1 | 148.5 | -75 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 9 | G | 36.4 | Very low | 36.8 | Very low | 66 Ų | 66 | 124.2 Ų | 124.2 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -64.1 | -168.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D7 | D7-G9 PolarHBondContact OD1-N 3.37Š| ||
| 10 | G | 36.7 | Very low | 36.8 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | 140.1 | 133.5 | 2.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 11 | S | 36.6 | Very low | 36.8 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -166.2 | 127.3 | 169.9 | -86.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 12 | V | 38.3 | Very low | 36.4 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | 77 | 114.6 | 73.1 | 148 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 13 | L | 36.6 | Very low | 36 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 71% | 0.707 | 77% | 0.773 | S | S | * | * | cis | -149.4 | 170.8 | 14.7 | -89.6 | 157.3 | 0 | 0 | 0 | 115 | ||||
| 14 | E | 33.4 | Very low | 36.1 | Very low | 153 Ų | 153 | 127 Ų | 127 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | 11.9 | 130.4 | 145.1 | -64.6 | -174.7 | 96.1 | 0 | 0 | 120.1 | ||||
| 15 | L | 32.9 | Very low | 35.9 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | 88.6 | 135.2 | 53.1 | -79.3 | 176.7 | 0 | 0 | 0 | 115 | |||||
| 16 | S | 31.1 | Very low | 35.8 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 65.1 | 133.4 | 159.1 | -57.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 17 | S | 40.6 | Very low | 35.8 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | -153.4 | 155.9 | 52 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 18 | N | 38.8 | Very low | 35.8 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -78.1 | 156.1 | 162.2 | -69.2 | -14.2 | 0 | 0 | 0 | 110.6 | ||||
| 19 | G | 33.9 | Very low | 35.8 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | -169.3 | 97.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 20 | V | 38.5 | Very low | 36.2 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -74.2 | 143.6 | 161.4 | 169.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 21 | E | 35.5 | Very low | 36.7 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -162.5 | 172.4 | 136 | -75.5 | -131.1 | 123.5 | 0 | 0 | 109.2 | ||||
| 22 | N | 32.1 | Very low | 36.8 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -96.3 | 165.9 | -153.7 | -57.7 | -79.8 | 0 | 0 | 0 | 116.7 | ||||
| 23 | Q | 32.6 | Very low | 37.4 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 113.5 | 130 | 125.9 | -155.3 | 159.5 | -4.3 | 0 | 0 | 119.9 | |||||
| 24 | E | 36.3 | Very low | 37.6 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 45.2 | 128.9 | 158.8 | -72.1 | 171.9 | 80.9 | 0 | 0 | 122.2 | ||||
| 25 | G | 33.8 | Very low | 37.9 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 171.8 | 104.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 26 | G | 33.6 | Very low | 38.5 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -65.1 | 151.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 27 | D | 37.5 | Very low | 39.1 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 7.8 | 106.2 | 146.5 | -92.2 | -59.7 | 0 | 0 | 0 | 119.6 | ||||
| 28 | N | 36 | Very low | 39.5 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | 174.1 | 136.6 | 106 | -103.4 | -94.4 | 0 | 0 | 0 | 112.4 | |||||
| 29 | V | 40.3 | Very low | 39.8 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -132.5 | 117.1 | 170.6 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 30 | P | 46.2 | Very low | 40.3 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -90.6 | 104 | 160 | 0 | 19.9 | 0 | 0 | 0 | 109.2 | ||||
| 31 | E | 46.6 | Very low | 40.8 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 124.9 | 178.7 | -172.5 | 179.5 | 157.2 | 0 | 0 | 111.2 | ||
| 32 | Y | 39 | Very low | 40.7 | Very low | 215 Ų | 215 | 134.2 Ų | 134.2 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 118.7 | 172.1 | -84 | -96.4 | 0 | 0 | 0 | 109.9 | ||
| 33 | P | 49.5 | Very low | 41.2 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.9 | -176.4 | 27.8 | -34.6 | 0 | 0 | 0 | 112.4 | ||
| 34 | A | 40.9 | Very low | 41.3 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71 | 143 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I36 | A34-I36 PolarHBondContact O-N 3.32Š|
| 35 | V | 40.8 | Very low | 41.3 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -77.2 | 101 | 172.6 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | V37 | V35-V37 HydrophobicContact CG1-CG2 4.38Š| ||
| 36 | I | 44.7 | Very low | 41.7 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -84 | 119.9 | 170.9 | -59.1 | 176.5 | 0 | 0 | 0 | 108.6 | A34 | A34-I36 PolarHBondContact O-N 3.32Š| ||
| 37 | V | 43.8 | Very low | 42 | Very low | 125 Ų | 125 | 145 Ų | 145 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | trans | -92.6 | 104.1 | 174.4 | -177.1 | 0 | 0 | 0 | 0 | 109 | V35 | V35-V37 HydrophobicContact CG1-CG2 4.38Š| ||
| 38 | E | 48.6 | Very low | 42.1 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 127.3 | 177.1 | -165.6 | 179.5 | 142.7 | 0 | 0 | 111.2 | V40 | E38-V40 PolarHBondContact O-N 3.32Š|
| 39 | P | 45.3 | Very low | 42 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 117.1 | -177.3 | 30.9 | -33.6 | 0 | 0 | 0 | 112.2 | P41 | P39-P41 VanDerWaalsContact O-CD 3.3Å; P39-P41 WeakPolarHBondContact O-CD 3.14Å |
| 40 | V | 45 | Very low | 41.9 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 121.3 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | E38 | E38-V40 PolarHBondContact O-N 3.32Š|
| 41 | P | 48.7 | Very low | 41.4 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132.1 | 175.6 | -19.6 | 33.7 | 0 | 0 | 0 | 112.7 | P39 | P39-P41 VanDerWaalsContact O-CD 3.3Å; P39-P41 WeakPolarHBondContact O-CD 3.14Å |
| 42 | S | 33.3 | Very low | 40.8 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 148 | 175.6 | -70.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 43 | A | 43.8 | Very low | 40.7 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63 | 152.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 44 | R | 34.5 | Very low | 39.9 | Very low | 232 Ų | 232 | 141.2 Ų | 141.2 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -147 | 110.8 | 168.6 | -150.3 | -177.2 | -168.1 | -116.3 | 1 | 115 | ||||
| 45 | L | 35.8 | Very low | 39.8 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 65.4 | 155.5 | 149.4 | -146.7 | 65.2 | 0 | 0 | 0 | 120 | ||||
| 46 | E | 42.2 | Very low | 39.6 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -75.8 | 151.5 | -175.5 | -54 | 175.9 | 106 | 0 | 0 | 113.9 | ||||
| 47 | Q | 39.4 | Very low | 39.4 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -144.9 | 115.2 | 146.2 | -106 | 156.6 | 3.4 | 0 | 0 | 108.6 | ||||
| 48 | G | 39.2 | Very low | 39.2 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -77.1 | 126.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A50 | G48-A50 PolarHBondContact O-N 2.8Š| ||
| 49 | Y | 33.5 | Very low | 39 | Very low | 232 Ų | 232 | 144.7 Ų | 144.7 | 91% | 0.91 | 80% | 0.796 | S | S | * | * | trans | -84.8 | 109 | 169.8 | -106.4 | -94.9 | 0 | 0 | 0 | 110.6 | ||||
| 50 | A | 39 | Very low | 38.7 | Very low | 84 Ų | 84 | 145.8 Ų | 145.8 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -75 | 123.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G48 Q52 | G48-A50 PolarHBondContact O-N 2.8Å; A50-Q52 PolarHBondContact O-N 3.31Å; A50-Q52 VanDerWaalsContact O-N 3.13Å | ||
| 51 | A | 36.3 | Very low | 38.6 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 108.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V53 | A51-V53 PolarHBondContact O-N 2.65Š| ||
| 52 | Q | 34.3 | Very low | 38.4 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -71.2 | 122 | 175.4 | -70.5 | 171.1 | -63.4 | 0 | 0 | 109.6 | A50 L54 | A50-Q52 PolarHBondContact O-N 3.31Å; A50-Q52 VanDerWaalsContact O-N 3.13Å; Q52-L54 PolarHBondContact O-N 3.11Å | ||
| 53 | V | 35.2 | Very low | 39 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -79.7 | 105.6 | 170.2 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | A51 V55 | A51-V53 PolarHBondContact O-N 2.65Å; V53-V55 HydrophobicContact CG1-CG2 3.96Å; V53-V55 PolarHBondContact O-N 3.16Å | ||
| 54 | L | 34 | Very low | 38.5 | Very low | 148 Ų | 148 | 154 Ų | 154 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -73.9 | 98.6 | 165.2 | -91.9 | 157.8 | 0 | 0 | 0 | 108.5 | Q52 Y56 | Q52-L54 PolarHBondContact O-N 3.11Å; L54-Y56 HydrophobicContact CD2-CE2 4.2Å | ||
| 55 | V | 39.2 | Very low | 38.7 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 61% | 0.612 | 78% | 0.781 | S | S | * | * | trans | -81.6 | 124.6 | 162.4 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | V53 | V53-V55 HydrophobicContact CG1-CG2 3.96Å; V53-V55 PolarHBondContact O-N 3.16Å | ||
| 56 | Y | 34.9 | Very low | 38.7 | Very low | 212 Ų | 212 | 148.3 Ų | 148.3 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -115.5 | 111.1 | 156.3 | -95.6 | -86.8 | 0 | 0 | 0 | 106.4 | L54 | L54-Y56 HydrophobicContact CD2-CE2 4.2Š| ||
| 57 | D | 41.7 | Very low | 38.5 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | trans | -77.2 | 144.8 | 155.5 | -84 | -73.6 | 0 | 0 | 0 | 108.3 | ||||
| 58 | D | 39.5 | Very low | 38.7 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -158 | 124.8 | 139.9 | -143.3 | 0.8 | 0 | 0 | 0 | 108.1 | ||||
| 59 | E | 45.1 | Very low | 38.5 | Very low | 149 Ų | 149 | 147 Ų | 147 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | -81.9 | 155.6 | -173.3 | 49.6 | -107.2 | 58.8 | 0 | 0 | 115 | ||||
| 60 | T | 38.6 | Very low | 38.7 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -143.9 | 118.2 | 148.8 | -65.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 61 | Y | 41.5 | Very low | 38.5 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | -110 | 131.1 | -175 | 173.9 | -83.7 | 0 | 0 | 0 | 109.2 | M63 | Y61-M63 HydrophobicContact CE1-CB 4.09Å; Y61-M63 HydrophobicContact CE1-CG 3.82Å; Y61-M63 HydrophobicContact CE1-SD 4.25Å; Y61-M63 HydrophobicContact CE2-CE 4.45Å; Y61-M63 HydrophobicContact CE2-CG 4.47Å; Y61-M63 WeakPolarHBondContact OH-CE 3.25Å; Y61-M63 PolarHBondContact OH-SD 2.82Å | ||
| 62 | M | 44.8 | Very low | 38.3 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -136.6 | 91.8 | 174.2 | -73.4 | -68.4 | 178.1 | 0 | 0 | 109.5 | ||||
| 63 | M | 45.5 | Very low | 38.3 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | trans | -84.5 | 142.7 | 154.9 | -77.8 | -171.6 | 174.1 | 0 | 0 | 108.8 | Y61 | Y61-M63 HydrophobicContact CE1-CB 4.09Å; Y61-M63 HydrophobicContact CE1-CG 3.82Å; Y61-M63 HydrophobicContact CE1-SD 4.25Å; Y61-M63 HydrophobicContact CE2-CE 4.45Å; Y61-M63 HydrophobicContact CE2-CG 4.47Å; Y61-M63 WeakPolarHBondContact OH-CE 3.25Å; Y61-M63 PolarHBondContact OH-SD 2.82Å | ||
| 64 | Q | 34.7 | Very low | 38.2 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -153.4 | 105.4 | 159.6 | -170.8 | 61.5 | 73.9 | 0 | 0 | 110.7 | ||||
| 65 | D | 38.6 | Very low | 38.2 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -87.4 | 137.3 | 163.5 | -71.7 | -75.8 | 0 | 0 | 0 | 110.3 | ||||
| 66 | V | 36.1 | Very low | 38.1 | Very low | 125 Ų | 125 | 148 Ų | 148 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | -167.4 | 104.7 | 153.6 | 175.9 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 67 | A | 37.8 | Very low | 38.1 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | 74.4 | 135.4 | 78 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 68 | E | 42.8 | Very low | 37.5 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 22.8 | 143.2 | 137.8 | -94.1 | 165.2 | 140 | 0 | 0 | 120 | ||||
| 69 | E | 34.8 | Very low | 37.2 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | -146.5 | 160.4 | 28 | -63.7 | -173.8 | 175.8 | 0 | 0 | 110.5 | ||||
| 70 | Q | 37.8 | Very low | 36.6 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | 52.6 | 138.9 | 97.6 | -124.6 | -175.7 | -59.6 | 0 | 0 | 114.2 | |||||
| 71 | E | 34.7 | Very low | 36.4 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | -151.8 | 154.2 | 33.2 | -90.2 | -177.2 | 150.3 | 0 | 0 | 111 | ||||
| 72 | V | 33.5 | Very low | 35.9 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 61.1 | 131.7 | 78.4 | -179 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 73 | E | 34 | Very low | 35.3 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -152.9 | 148 | 42.4 | -123.5 | 158 | 144.9 | 0 | 0 | 110.1 | ||||
| 74 | T | 32.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | 60.1 | 160.5 | 98.9 | 81.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 75 | E | 34.4 | Very low | 34.6 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | cis | -163.6 | 152.8 | -5.1 | 135.2 | 170.9 | -177.5 | 0 | 0 | 111.2 | ||||
| 76 | N | 37.7 | Very low | 34.4 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | 46.5 | 161 | 155.8 | -67.9 | -21.7 | 0 | 0 | 0 | 121.1 | ||||
| 77 | S | 34.4 | Very low | 34.6 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | cis | -149.6 | 175.8 | -9.2 | -115.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 78 | E | 30.2 | Very low | 34.2 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | cis | -150.6 | -171.3 | 30.1 | -164.4 | 155.8 | 95 | 0 | 0 | 111.5 | ||||
| 79 | T | 32.1 | Very low | 34.1 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | -84.7 | 164 | -166.7 | 53.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 80 | V | 33.1 | Very low | 34.3 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | -171.2 | 115.9 | 112 | 151.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 81 | E | 33 | Very low | 34.3 | Very low | 177 Ų | 177 | 133 Ų | 133 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 38.9 | 111.7 | 144.5 | -49 | -166.3 | 132.1 | 0 | 0 | 123.4 | ||||
| 82 | A | 32.1 | Very low | 35 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | 36.7 | 127.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 83 | S | 32.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | -161.8 | 158.6 | 108.6 | -159.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 84 | V | 34.5 | Very low | 37.3 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | trans | -78.2 | 144.9 | -171.7 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 85 | H | 31 | Very low | 38.5 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | 169.5 | 104.5 | 118.7 | -88.5 | 92.6 | 0 | 0 | 0 | 113.7 | |||||
| 86 | S | 33.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -93 | 123.5 | 165.9 | -63.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 87 | S | 40.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 179.1 | 126.8 | 148.1 | 39.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 88 | N | 30.9 | Very low | 42.1 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | 173.9 | 107.7 | 94.8 | -173.6 | -17.6 | 0 | 0 | 0 | 110 | H90 | N88-H90 PolarHBondContact OD1-CD2 2.63Å; N88-H90 VanDerWaalsContact OD1-CD2 3.25Å | |||
| 89 | A | 40.1 | Very low | 43.4 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | trans | -140.7 | 99.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | C91 | A89-C91 PolarHBondContact O-N 2.88Š| ||
| 90 | H | 38 | Very low | 44.8 | Very low | 162 Ų | 162 | 126 Ų | 126 | 75% | 0.75 | 74% | 0.735 | S | S | * | * | trans | -60.7 | 117.3 | -177.3 | -85.5 | -88.3 | 0 | 0 | 0 | 112.2 | N88 | N88-H90 PolarHBondContact OD1-CD2 2.63Å; N88-H90 VanDerWaalsContact OD1-CD2 3.25Å | ||
| 91 | C | 38.9 | Very low | 46.1 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -95 | 142.4 | 156.9 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | A89 D93 | A89-C91 PolarHBondContact O-N 2.88Å; C91-D93 PolarHBondContact O-N 3Å | ||
| 92 | T | 49.9 | Very low | 47.4 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | -94.5 | 84.7 | -168.7 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | K94 | T92-K94 VanDerWaalsContact C-N 3.27Å; T92-K94 PolarHBondContact O-N 3.36Å | ||
| 93 | D | 56.9 | Low | 48.8 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 30.2 | 31.6 | 138.4 | -79.7 | -67.6 | 0 | 0 | 0 | 121.7 | C91 | C91-D93 PolarHBondContact O-N 3Š|
| 94 | K | 57.6 | Low | 50.2 | Low | 189 Ų | 189 | 126.8 Ų | 126.8 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -139.9 | 21.8 | 173.4 | -66.7 | -162.7 | 175.4 | -166.3 | 0 | 114.4 | T92 | T92-K94 VanDerWaalsContact C-N 3.27Å; T92-K94 PolarHBondContact O-N 3.36Å |
| 95 | T | 58.1 | Low | 51.3 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -136.8 | -17.7 | -179.5 | -48.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 96 | I | 55.1 | Low | 52.1 | Low | 122 Ų | 122 | 130 Ų | 130 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -81.2 | -45.1 | 178.5 | -100.4 | 168.8 | 0 | 0 | 0 | 112.4 | A98 A99 E100 | I96-A98 PolarHBondContact O-N 3.16Å; I96-A98 VanDerWaalsContact O-N 3.16Å; I96-A99 WeakPolarHBondContact O-CA 3.47Å; I96-A99 WeakPolarHBondContact O-CB 3.3Å; I96-A99 PolarHBondContact O-N 2.84Å; I96-E100 PolarHBondContact O-N 3.01Å |
| 97 | E | 66.6 | Low | 52.6 | Low | 156 Ų | 156 | 128.8 Ų | 128.8 | 73% | 0.729 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -55.8 | -35.2 | 178.4 | -174.5 | -179.6 | -152.8 | 0 | 0 | 112.6 | A99 A101 | E97-A99 VanDerWaalsContact C-N 3.32Å; E97-A99 PolarHBondContact O-N 3.42Å; E97-A101 PolarHBondContact O-N 2.91Å |
| 98 | A | 59.5 | Low | 52.9 | Low | 69 Ų | 69 | 129.7 Ų | 129.7 | 57% | 0.57 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -73.6 | -18.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I96 | I96-A98 PolarHBondContact O-N 3.16Å; I96-A98 VanDerWaalsContact O-N 3.16Å |
| 99 | A | 58.6 | Low | 53.2 | Low | 53 Ų | 53 | 129.2 Ų | 129.2 | 44% | 0.438 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -85.7 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I96 E97 A101 L102 | I96-A99 WeakPolarHBondContact O-CA 3.47Å; I96-A99 WeakPolarHBondContact O-CB 3.3Å; I96-A99 PolarHBondContact O-N 2.84Å; E97-A99 VanDerWaalsContact C-N 3.32Å; E97-A99 PolarHBondContact O-N 3.42Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.25Å; A99-L102 PolarHBondContact O-N 3.48Å |
| 100 | E | 60.7 | Low | 52.9 | Low | 129 Ų | 129 | 129.8 Ų | 129.8 | 60% | 0.603 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -64.9 | -36.4 | 178.1 | -64.2 | -178.2 | 132.9 | 0 | 0 | 111.8 | I96 L102 L103 | I96-E100 PolarHBondContact O-N 3.01Å; E100-L102 PolarHBondContact O-N 2.76Å; E100-L102 VanDerWaalsContact O-N 3.15Å; E100-L103 PolarHBondContact O-N 2.83Å |
| 101 | A | 61.8 | Low | 52.8 | Low | 75 Ų | 75 | 128.9 Ų | 128.9 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -19 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E97 A99 | E97-A101 PolarHBondContact O-N 2.91Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.25Å |
| 102 | L | 59.8 | Low | 52.5 | Low | 146 Ų | 146 | 133.9 Ų | 133.9 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -8.9 | 179.9 | -70.4 | 174.6 | 0 | 0 | 0 | 114 | A99 E100 | A99-L102 PolarHBondContact O-N 3.48Å; E100-L102 PolarHBondContact O-N 2.76Å; E100-L102 VanDerWaalsContact O-N 3.15Å |
| 103 | L | 62 | Low | 51.6 | Low | 150 Ų | 150 | 134.9 Ų | 134.9 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -100.5 | -2.3 | -175.5 | -63.8 | 176.1 | 0 | 0 | 0 | 113.9 | E100 | E100-L103 PolarHBondContact O-N 2.83Š|
| 104 | H | 60.8 | Low | 50.4 | Low | 173 Ų | 173 | 132.7 Ų | 132.7 | 80% | 0.801 | 72% | 0.718 | S | S | * | * | trans | -108.5 | 16.8 | -172.1 | -104.3 | -68.5 | 0 | 0 | 0 | 115.8 | E106 | H104-E106 PolarHBondContact O-N 3.21Š| ||
| 105 | M | 57.3 | Low | 49.3 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 85% | 0.852 | 72% | 0.722 | S | S | * | * | trans | -84.2 | 90.2 | 168.5 | -80.1 | -139 | 67.6 | 0 | 0 | 111.7 | ||||
| 106 | E | 48.2 | Very low | 48 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 84% | 0.841 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 140.3 | 169.4 | -167.4 | 174.6 | 139.7 | 0 | 0 | 111.1 | H104 | H104-E106 PolarHBondContact O-N 3.21Š|
| 107 | S | 42.9 | Very low | 47.8 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 116.8 | -177.4 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 108 | P | 47.7 | Very low | 46.1 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 87% | 0.87 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 137.8 | 171.7 | -20.5 | 33.3 | 0 | 0 | 0 | 111.3 | ||
| 109 | T | 36.3 | Very low | 44.9 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | -118.7 | 152.6 | -174.7 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 110 | C | 34.1 | Very low | 44 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 67 | 156.7 | 158.3 | -65.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 111 | L | 36.7 | Very low | 42.8 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -160.6 | 145.8 | -13.2 | -122.2 | 169.1 | 0 | 0 | 0 | 110.5 | ||||
| 112 | R | 32.7 | Very low | 41.7 | Very low | 219 Ų | 219 | 145.3 Ų | 145.3 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -170.1 | 109.5 | 141.1 | -97.9 | -66.4 | -178.9 | 169.2 | -6.1 | 106.6 | ||||
| 113 | E | 29.6 | Very low | 40.8 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | 70.3 | 120.2 | 77.1 | -162.4 | 78.9 | -76.7 | 0 | 0 | 111.6 | |||||
| 114 | S | 32.7 | Very low | 39.6 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | -163.1 | 166.7 | 9.1 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 115 | R | 33.3 | Very low | 38.6 | Very low | 241 Ų | 241 | 147.6 Ų | 147.6 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | 90.1 | 118 | 149.4 | -144.7 | 179.7 | -148.6 | -178.7 | 6.5 | 119 | ||||
| 116 | S | 30.7 | Very low | 38.3 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -87.3 | -172.8 | 169.4 | -27.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 117 | P | 51.1 | Low | 37.7 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | cis | -136.1 | -163.4 | -6.5 | 44.6 | -27 | 0 | 0 | 0 | 114.1 | ||||
| 118 | E | 30.8 | Very low | 37.5 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 55 | 126.5 | 157.9 | -61.3 | 172 | 106.3 | 0 | 0 | 119 | ||||
| 119 | F | 34.8 | Very low | 37.5 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | -163.7 | 178.3 | 72.2 | -126 | -92.3 | 0 | 0 | 0 | 113.7 | |||||
| 120 | I | 40 | Very low | 37.5 | Very low | 128 Ų | 128 | 146 Ų | 146 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | -88.8 | 152.5 | -178.8 | -48.5 | 173.1 | 0 | 0 | 0 | 111.4 | ||||
| 121 | H | 36.7 | Very low | 37.7 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | 138.7 | 151.5 | 135 | -75.4 | -71.4 | 0 | 0 | 0 | 116.6 | ||||
| 122 | A | 37.1 | Very low | 38.1 | Very low | 92 Ų | 92 | 148.5 Ų | 148.5 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | 57.5 | 125.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 123 | A | 41.1 | Very low | 38 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | 79.9 | 151 | 37.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 124 | M | 36.7 | Very low | 38.3 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 93% | 0.931 | 78% | 0.779 | S | S | * | * | trans | 86.6 | 147.1 | -178 | -54.3 | -167.4 | 67.2 | 0 | 0 | 117.6 | ||||
| 125 | R | 40.2 | Very low | 38.4 | Very low | 233 Ų | 233 | 147.2 Ų | 147.2 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -114.4 | -170.1 | 175.1 | -57.5 | 177.1 | 174.3 | 121.1 | -8.5 | 107.3 | ||||
| 126 | P | 52 | Low | 38.3 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | -118.7 | -161 | -56.9 | 33 | -14.8 | 0 | 0 | 0 | 109.8 | |||||
| 127 | D | 34.5 | Very low | 38.5 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 48.7 | 111.2 | 154.2 | -56.4 | -32.2 | 0 | 0 | 0 | 120 | ||||
| 128 | V | 38.1 | Very low | 37.7 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -162.7 | 152.8 | 132.1 | 126.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 129 | I | 47.5 | Very low | 37.8 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -90 | 149.3 | 177.5 | 48.8 | 169.7 | 0 | 0 | 0 | 112.3 | ||||
| 130 | T | 36.6 | Very low | 37.4 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -179.8 | 122.9 | 154.2 | 17.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 131 | E | 38.9 | Very low | 37.2 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 67.5 | 96.8 | 75.6 | -65.3 | -165.4 | 128.5 | 0 | 0 | 115.2 | |||||
| 132 | T | 44.2 | Very low | 37.3 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -135.8 | 108.8 | 144.9 | 43 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 133 | V | 31.1 | Very low | 37.8 | Very low | 111 Ų | 111 | 143 Ų | 143 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | 61.9 | 94.2 | 60.1 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | E135 | V133-E135 HydrophobicContact CG1-CG 4.41Š| |||
| 134 | V | 36.3 | Very low | 37.6 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | trans | -137.9 | 122.6 | 154.5 | 179.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 135 | E | 34.8 | Very low | 37.4 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | -113.2 | 176.1 | -172.6 | -68.9 | -166.7 | 98.1 | 0 | 0 | 113.5 | V133 | V133-E135 HydrophobicContact CG1-CG 4.41Š| ||
| 136 | V | 30.7 | Very low | 37.1 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | trans | 74.2 | 98.2 | 159.4 | -166.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 137 | S | 34.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | -170.4 | 113.3 | 113.7 | -71.8 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 138 | T | 34.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | 46.5 | 127.1 | 93.3 | 60.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 139 | E | 32.7 | Very low | 36.5 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | cis | -161.6 | 165.3 | 35.4 | 62.6 | -150.9 | 139.9 | 0 | 0 | 113.8 | ||||
| 140 | E | 28.2 | Very low | 36.2 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 54.4 | 155.1 | 159.8 | -103.1 | -161.1 | 62.1 | 0 | 0 | 121.1 | ||||
| 141 | S | 33.9 | Very low | 35.8 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | -145.9 | 173 | -6.5 | -6.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 142 | E | 38.8 | Very low | 35.5 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -95.2 | -154.1 | -172.7 | -61 | -169.4 | 111.8 | 0 | 0 | 115.1 | ||||
| 143 | P | 48.3 | Very low | 35.5 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | -133.7 | 154.6 | -84.8 | 39 | -22.7 | 0 | 0 | 0 | 116.7 | |||||
| 144 | M | 36.5 | Very low | 35.3 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -176.4 | 161 | 151.9 | 58.8 | -77.6 | -169.3 | 0 | 0 | 112.3 | ||||
| 145 | D | 33.4 | Very low | 35 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | cis | -165.4 | 165.3 | -39.7 | -177.8 | -139.5 | 0 | 0 | 0 | 108.2 | ||||
| 146 | A | 33.4 | Very low | 34.8 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 63% | 0.628 | 77% | 0.766 | S | S | * | * | trans | 56 | 104.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 147 | S | 34.6 | Very low | 34.9 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -60.5 | 151.4 | 146.8 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 148 | P | 44.4 | Very low | 35.2 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | -150.8 | 157 | 85.3 | 39.1 | -20.8 | 0 | 0 | 0 | 118.2 | |||||
| 149 | I | 32.9 | Very low | 35 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -62.9 | 142.6 | 158.1 | -74.8 | 165.1 | 0 | 0 | 0 | 108.7 | ||||
| 150 | P | 41.7 | Very low | 35 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | -151.9 | -175.4 | 60.1 | 37.5 | -14.3 | 0 | 0 | 0 | 119.4 | |||||
| 151 | T | 28.9 | Very low | 35.4 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 83% | 0.828 | 76% | 0.755 | S | S | * | * | trans | 79.5 | 110 | 150.7 | 31.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 152 | S | 31.5 | Very low | 35.5 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -60.4 | 175.7 | 149.7 | -28.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 153 | P | 44.6 | Very low | 35.3 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | cis | -138.3 | 173.4 | 13.6 | 42.6 | -24.1 | 0 | 0 | 0 | 118.7 | ||||
| 154 | D | 27.8 | Very low | 34.7 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -10 | 133.5 | 148.6 | -157.7 | 63.8 | 0 | 0 | 0 | 116 | ||||
| 155 | S | 29.4 | Very low | 34.6 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 52% | 0.524 | 76% | 0.762 | S | S | . | * | -172 | 176.8 | 57 | -148.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 156 | H | 30.6 | Very low | 34.9 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | 82.7 | 138.7 | 163.6 | -59.9 | -55 | 0 | 0 | 0 | 122.8 | ||||
| 157 | E | 32.9 | Very low | 35.1 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -68.3 | -179.1 | 166.8 | -116.4 | -147.7 | 107.7 | 0 | 0 | 113 | ||||
| 158 | P | 41 | Very low | 35.4 | Very low | 88 Ų | 88 | 146.1 Ų | 146.1 | 57% | 0.571 | 78% | 0.777 | S | S | * | * | cis | -136.9 | 175.1 | 4.4 | 29 | -5.2 | 0 | 0 | 0 | 116.8 | ||||
| 159 | T | 28.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | 157.4 | 115.5 | 114.1 | 48 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 160 | K | 34.1 | Very low | 34.9 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | 56.5 | 140.2 | 127.8 | -50 | 167.6 | -179 | 169.1 | 0 | 122.6 | |||||
| 161 | K | 37.1 | Very low | 34.6 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | 115.6 | 76.4 | 141.6 | -56.8 | 178.8 | -165.2 | 167.6 | 0 | 121.8 | ||||
| 162 | K | 35.2 | Very low | 34.7 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | 49.3 | 108.6 | 112.2 | -170.9 | -174.7 | -177.9 | -180 | 0 | 122.1 | |||||
| 163 | K | 34.7 | Very low | 35.1 | Very low | 204 Ų | 204 | 149.8 Ų | 149.8 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -164.1 | 119.5 | 146.7 | -123 | 175.3 | 177.1 | -179.4 | 0 | 107.7 | ||||
| 164 | V | 34.7 | Very low | 35.1 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | 88.3 | 114.3 | 51.9 | 174.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 165 | G | 34.7 | Very low | 35.5 | Very low | 69 Ų | 69 | 148.8 Ų | 148.8 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 111.1 | 145.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 166 | R | 41.1 | Very low | 35.7 | Very low | 253 Ų | 253 | 149.9 Ų | 149.9 | 96% | 0.955 | 77% | 0.772 | S | S | * | * | cis | -148.5 | 170.2 | -4.2 | -70.5 | 179.8 | 171.2 | 163.9 | -4.6 | 110.1 | ||||
| 167 | K | 36.7 | Very low | 35.8 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -132.2 | 147.6 | 163 | -78.9 | -167.1 | 175.7 | -172.7 | 0 | 110.1 | ||||
| 168 | P | 41.4 | Very low | 35.7 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | -125.5 | 164.3 | 110.6 | 7.5 | 15.2 | 0 | 0 | 0 | 110.8 | |||||
| 169 | K | 32.9 | Very low | 35.3 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | cis | 71.9 | 121.4 | 45.3 | -140 | 172.7 | 176.6 | -179.7 | 0 | 110.7 | ||||
| 170 | T | 32.4 | Very low | 36 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | -165.4 | 167.5 | 68.4 | -72.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 171 | Q | 35.4 | Very low | 35.8 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | -37.8 | 179.8 | 168.3 | -64.8 | 166.5 | -87.9 | 0 | 0 | 118.7 | ||||
| 172 | Q | 32 | Very low | 36 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | cis | -172.1 | -179.9 | -25.9 | -96.2 | 168.5 | -26.3 | 0 | 0 | 107.1 | ||||
| 173 | S | 40.5 | Very low | 36 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -72.5 | 179.6 | 167.5 | 56 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 174 | P | 44.5 | Very low | 36.5 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | -155.7 | 153.6 | 105.1 | 40.1 | -22.4 | 0 | 0 | 0 | 118.9 | |||||
| 175 | V | 35.7 | Very low | 36.7 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 55.1 | 159.3 | 149.3 | -56.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 176 | S | 32.6 | Very low | 37.1 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | cis | -158.1 | 174.6 | 5.1 | -137.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 177 | N | 34.2 | Very low | 37 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | cis | -156.9 | -165 | -4.3 | -142.8 | -8.9 | 0 | 0 | 0 | 106.4 | ||||
| 178 | G | 30.8 | Very low | 37 | Very low | 53 Ų | 53 | 135.6 Ų | 135.6 | 55% | 0.546 | 77% | 0.767 | S | S | . | * | cis | 161.6 | 153.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 179 | S | 31.4 | Very low | 37.3 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | 73.3 | 160.8 | 170.8 | -128.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 180 | P | 44.2 | Very low | 38 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -129.7 | 138.5 | -84.8 | 37.3 | -22 | 0 | 0 | 0 | 115 | |||||
| 181 | E | 30.7 | Very low | 38.7 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -105.1 | 151.6 | 174.7 | -148.4 | -165.2 | 102.4 | 0 | 0 | 113.5 | ||||
| 182 | L | 40.8 | Very low | 39.4 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | -79 | 145.6 | -170.2 | -64.6 | 168.9 | 0 | 0 | 0 | 113.1 | I184 | L182-I184 PolarHBondContact O-N 3.14Š| ||
| 183 | G | 35.7 | Very low | 40.5 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -69 | 84.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K185 | G183-K185 PolarHBondContact O-N 2.64Š| ||
| 184 | I | 44.9 | Very low | 41.4 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 70% | 0.703 | 73% | 0.727 | S | S | * | * | trans | -57.4 | 102.6 | 167.5 | -53.7 | 174.3 | 0 | 0 | 0 | 108 | L182 K186 | L182-I184 PolarHBondContact O-N 3.14Å; I184-K186 VanDerWaalsContact C-N 3.3Å; I184-K186 PolarHBondContact O-N 2.75Å | ||
| 185 | K | 39 | Very low | 42.8 | Very low | 198 Ų | 198 | 128.7 Ų | 128.7 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -67.1 | 92.4 | 174.5 | -77.6 | -164.6 | 174.4 | -176.5 | 0 | 109.3 | G183 K187 | G183-K185 PolarHBondContact O-N 2.64Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K185-K187 PolarHBondContact O-N 3.1Å | ||
| 186 | K | 41.5 | Very low | 45.4 | Very low | 198 Ų | 198 | 122.9 Ų | 122.9 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | trans | -50 | 97.9 | 159.4 | -78 | 179.4 | 176.8 | 171.2 | 0 | 107.8 | I184 A188 | I184-K186 VanDerWaalsContact C-N 3.3Å; I184-K186 PolarHBondContact O-N 2.75Å; K186-A188 PolarHBondContact O-N 2.93Å; K186-A188 VanDerWaalsContact O-N 3.16Å | ||
| 187 | K | 38.9 | Very low | 48.3 | Very low | 190 Ų | 190 | 124.3 Ų | 124.3 | 83% | 0.826 | 68% | 0.681 | S | S | * | * | trans | -46.6 | 123.2 | 155.5 | -66.7 | -80.5 | -173.1 | 167 | 0 | 105.2 | K185 R189 | K185-K187 VanDerWaalsContact C-N 3.3Å; K185-K187 PolarHBondContact O-N 3.1Å; K187-R189 PolarHBondContact O-N 3.13Å | ||
| 188 | A | 38.1 | Very low | 51.2 | Low | 89 Ų | 89 | 116.8 Ų | 116.8 | 74% | 0.736 | 64% | 0.64 | S | S | * | * | trans | -54.8 | 114.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | K186 E190 | K186-A188 PolarHBondContact O-N 2.93Å; K186-A188 VanDerWaalsContact O-N 3.16Å; A188-E190 PolarHBondContact O-N 3.26Å | ||
| 189 | R | 46.9 | Very low | 54.2 | Low | 182 Ų | 182 | 117 Ų | 117 | 69% | 0.687 | 63% | 0.625 | S | S | * | * | trans | -78.3 | 94.5 | -170.3 | -174 | 174 | 175.5 | -142.3 | -16.9 | 107.4 | K187 G191 K240 | K187-R189 PolarHBondContact O-N 3.13Å; R189-G191 PolarHBondContact O-N 3.02Å; R189-K240 PolarHBondContact NH2-O 3.42Å | ||
| 190 | E | 48.6 | Very low | 57.2 | Low | 147 Ų | 147 | 114 Ų | 114 | 69% | 0.687 | 60% | 0.597 | S | S | * | * | trans | -31.7 | 109.8 | -162.4 | -163.3 | 66.9 | -174.9 | 0 | 0 | 113.7 | A188 K192 | A188-E190 PolarHBondContact O-N 3.26Å; E190-K192 HydrophobicContact CG-CB 4.28Å; E190-K192 PolarHBondContact O-N 3.13Å | ||
| 191 | G | 46.8 | Very low | 59.5 | Low | 76 Ų | 76 | 109 Ų | 109 | 78% | 0.784 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 22.7 | -170 | 0 | 0 | 0 | 0 | 0 | 115.5 | R189 | R189-G191 PolarHBondContact O-N 3.02Š|
| 192 | K | 50.4 | Low | 62.5 | Low | 142 Ų | 142 | 100.6 Ų | 100.6 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.7 | -174.3 | -143.7 | 80.5 | 174.6 | -165.8 | 0 | 114.1 | E190 N194 T196 | E190-K192 HydrophobicContact CG-CB 4.28Å; E190-K192 PolarHBondContact O-N 3.13Å; K192-N194 PolarHBondContact O-N 3.25Å; K192-T196 PolarHBondContact O-OG1 3.34Å |
| 193 | G | 54.4 | Low | 65 | Low | 17 Ų | 17 | 93.3 Ų | 93.3 | 18% | 0.175 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 3.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 194 | N | 60.1 | Low | 67.6 | Low | 124 Ų | 124 | 93.1 Ų | 93.1 | 66% | 0.663 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -43.7 | -179.3 | 57.2 | -2.2 | 0 | 0 | 0 | 112.9 | K192 K242 | K192-N194 PolarHBondContact O-N 3.25Å; N194-K242 PolarHBondContact O-NZ 3.48Å |
| 195 | T | 74.1 | Confident | 69.8 | Low | 104 Ų | 104 | 86.8 Ų | 86.8 | 64% | 0.638 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -16.1 | -174.4 | 57.4 | 0 | 0 | 0 | 0 | 115.8 | Y197 | T195-Y197 PolarHBondContact O-N 2.95Š|
| 196 | T | 89.3 | Confident | 72.2 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | trans | -53.1 | 135.1 | -178.4 | -33.1 | 0 | 0 | 0 | 0 | 112.1 | K192 E200 F201 W238 H241 K242 | K192-T196 PolarHBondContact O-OG1 3.34Å; T196-E200 WeakPolarHBondContact CA-OE2 3.35Å; T196-E200 HydrophobicContact CG2-CB 3.91Å; T196-F201 HydrophobicContact CG2-CB 4.41Å; T196-W238 WeakPolarHBondContact O-CH2 3.43Å; T196-H241 WeakPolarHBondContact CB-NE2 3.4Å; T196-H241 WeakPolarHBondContact CG2-NE2 3.39Å; T196-H241 PolarHBondContact OG1-NE2 2.81Å; T196-K242 PolarHBondContact O-NZ 3.45Å | ||
| 197 | Y | 94 | Very high | 74.4 | Confident | 128 Ų | 128 | 69.9 Ų | 69.9 | 50% | 0.502 | 36% | 0.362 | S | S | . | . | trans | -83.8 | 158.4 | 169.7 | -64.6 | -64.5 | 0 | 0 | 0 | 111.2 | T195 W199 E200 F201 W238 | T195-Y197 PolarHBondContact O-N 2.95Å; Y197-W199 VanDerWaalsContact C-N 3.32Å; Y197-W199 AromaticContact CD2-NE1 3.79Å; Y197-W199 AromaticContact CG-NE1 3.84Å; Y197-W199 PolarHBondContact O-N 3.25Å; Y197-E200 PolarHBondContact N-OE2 3.16Å; Y197-E200 PolarHBondContact O-N 2.96Å; Y197-F201 PolarHBondContact O-N 3.01Å; Y197-F201 VanDerWaalsContact O-N 3.16Å; Y197-W238 VanDerWaalsContact C-CH2 3.43Å | ||
| 198 | L | 94.8 | Very high | 76.5 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | -179.8 | 170.2 | 68.1 | 0 | 0 | 0 | 111.7 | E200 F201 L202 W238 M252 A255 L256 Y259 | L198-E200 VanDerWaalsContact C-N 3.34Å; L198-E200 PolarHBondContact O-N 3Å; L198-F201 HydrophobicContact CD1-CD1 4.17Å; L198-F201 PolarHBondContact O-N 2.88Å; L198-L202 HydrophobicContact CD1-CD1 3.95Å; L198-L202 HydrophobicContact CD1-CD2 4.38Å; L198-L202 HydrophobicContact CD1-CG 3.91Å; L198-L202 HydrophobicContact CD2-CD1 4.36Å; L198-L202 HydrophobicContact CG-CD1 3.78Å; L198-L202 HydrophobicContact CG-CG 4.21Å; L198-L202 WeakPolarHBondContact O-CB 3.17Å; L198-L202 VanDerWaalsContact O-CG 3.22Å; L198-L202 WeakPolarHBondContact O-CG 3.17Å; L198-L202 PolarHBondContact O-N 2.83Å; L198-W238 VanDerWaalsContact CA-CH2 3.49Å; L198-W238 HydrophobicContact CB-CH2 4.04Å; L198-W238 HydrophobicContact CB-CZ2 3.61Å; L198-W238 HydrophobicContact CD1-CD2 3.81Å; L198-W238 HydrophobicContact CD1-CE3 4.36Å; L198-W238 HydrophobicContact CD1-CG 3.91Å; L198-W238 HydrophobicContact CD1-CZ2 4.27Å; L198-M252 HydrophobicContact CD1-CG 3.76Å; L198-M252 HydrophobicContact CD1-SD 3.74Å; L198-M252 HydrophobicContact CD2-CG 3.46Å; L198-M252 VanDerWaalsContact CD2-CG 3.46Å; L198-M252 HydrophobicContact CD2-SD 4.39Å; L198-M252 HydrophobicContact CG-CG 4.28Å; L198-A255 HydrophobicContact CB-CB 4.49Å; L198-A255 HydrophobicContact CD2-CB 3.69Å; L198-L256 HydrophobicContact CD2-CD2 3.96Å; L198-L256 HydrophobicContact CD2-CG 4.06Å; L198-Y259 HydrophobicContact CB-CE2 3.89Å; L198-Y259 HydrophobicContact CD2-CE2 4.22Å; L198-Y259 HydrophobicContact CG-CE2 4.25Å; L198-Y259 PolarHBondContact N-OH 3.4Å; L198-Y259 VanDerWaalsContact N-OH 3.15Å |
| 199 | W | 94.2 | Very high | 77.8 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.1 | -36 | 179.8 | 72.5 | -93.4 | 0 | 0 | 0 | 112.4 | Y197 L203 Y259 I264 F277 P281 | Y197-W199 VanDerWaalsContact C-N 3.32Å; Y197-W199 AromaticContact CD2-NE1 3.79Å; Y197-W199 AromaticContact CG-NE1 3.84Å; Y197-W199 PolarHBondContact O-N 3.25Å; W199-L203 WeakPolarHBondContact O-CB 3.46Å; W199-L203 PolarHBondContact O-N 3.11Å; W199-L203 VanDerWaalsContact O-N 3.09Å; W199-Y259 HydrophobicContact CB-CD2 4.22Å; W199-Y259 HydrophobicContact CB-CE2 3.88Å; W199-Y259 AromaticContact CD1-CE1 3.87Å; W199-Y259 AromaticContact CD1-CZ 3.74Å; W199-I264 HydrophobicContact CB-CG2 4.2Å; W199-I264 HydrophobicContact CD2-CG2 4.26Å; W199-I264 HydrophobicContact CG-CG2 4.01Å; W199-F277 HydrophobicContact CB-CE1 4.39Å; W199-F277 HydrophobicContact CE3-CE1 4.38Å; W199-P281 HydrophobicContact CZ3-CG 4.22Å |
| 200 | E | 93.1 | Very high | 78.6 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 27% | 0.271 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.5 | -51.4 | 173.2 | -61.7 | 168 | 158 | 0 | 0 | 110 | T196 Y197 L198 L202 L203 D204 | T196-E200 WeakPolarHBondContact CA-OE2 3.35Å; T196-E200 HydrophobicContact CG2-CB 3.91Å; Y197-E200 PolarHBondContact N-OE2 3.16Å; Y197-E200 PolarHBondContact O-N 2.96Å; L198-E200 VanDerWaalsContact C-N 3.34Å; L198-E200 PolarHBondContact O-N 3Å; E200-L202 VanDerWaalsContact C-N 3.28Å; E200-L202 PolarHBondContact O-N 3.1Å; E200-L203 CarbonylContact O-C 3.56Å; E200-L203 WeakPolarHBondContact O-CA 3.27Å; E200-L203 VanDerWaalsContact O-CB 3.31Å; E200-L203 WeakPolarHBondContact O-CB 3.48Å; E200-L203 PolarHBondContact O-N 3.25Å; E200-D204 PolarHBondContact O-N 3.18Å |
| 201 | F | 93.8 | Very high | 79.2 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -35.7 | 177.7 | 167.2 | -92.5 | 0 | 0 | 0 | 113.4 | T196 Y197 L198 L205 L237 W238 H241 | T196-F201 HydrophobicContact CG2-CB 4.41Å; Y197-F201 PolarHBondContact O-N 3.01Å; Y197-F201 VanDerWaalsContact O-N 3.16Å; L198-F201 HydrophobicContact CD1-CD1 4.17Å; L198-F201 PolarHBondContact O-N 2.88Å; F201-L205 HydrophobicContact CE1-CD2 4.22Å; F201-L205 HydrophobicContact CZ-CD2 4.3Å; F201-L205 WeakPolarHBondContact O-CB 3.1Å; F201-L205 PolarHBondContact O-N 2.9Å; F201-L237 HydrophobicContact CE2-CG 4.39Å; F201-L237 HydrophobicContact CZ-CB 4.07Å; F201-L237 HydrophobicContact CZ-CD2 4.15Å; F201-L237 HydrophobicContact CZ-CG 3.89Å; F201-W238 HydrophobicContact CB-CE3 3.69Å; F201-W238 HydrophobicContact CB-CH2 4.37Å; F201-W238 HydrophobicContact CB-CZ3 3.42Å; F201-W238 VanDerWaalsContact CB-CZ3 3.42Å; F201-W238 HydrophobicContact CD1-CB 4.18Å; F201-W238 HydrophobicContact CD1-CD2 4.14Å; F201-W238 AromaticContact CD1-CE3 3.52Å; F201-W238 HydrophobicContact CD1-CE3 3.52Å; F201-W238 HydrophobicContact CD1-CG 4.45Å; F201-W238 HydrophobicContact CD1-CZ3 4.18Å; F201-W238 AromaticContact CD2-CE3 3.87Å; F201-W238 HydrophobicContact CD2-CE3 3.87Å; F201-W238 HydrophobicContact CD2-CZ3 4.25Å; F201-W238 HydrophobicContact CE1-CB 3.69Å; F201-W238 HydrophobicContact CE1-CE3 4.12Å; F201-W238 HydrophobicContact CE1-CG 4.43Å; F201-W238 HydrophobicContact CE2-CE3 4.41Å; F201-W238 HydrophobicContact CG-CD2 4.42Å; F201-W238 AromaticContact CG-CE3 3.39Å; F201-W238 HydrophobicContact CG-CE3 3.39Å; F201-W238 AromaticContact CG-CZ3 3.69Å; F201-W238 HydrophobicContact CG-CZ3 3.69Å; F201-W238 HydrophobicContact CZ-CB 4.12Å; F201-H241 HydrophobicContact CD2-CB 4.18Å; F201-H241 AromaticContact CD2-CG 3.99Å; F201-H241 HydrophobicContact CE2-CB 4.01Å |
| 202 | L | 94 | Very high | 79.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.7 | -34.4 | 174.9 | -70.1 | 168.5 | 0 | 0 | 0 | 111.9 | L198 E200 L206 I216 V234 L256 | L198-L202 HydrophobicContact CD1-CD1 3.95Å; L198-L202 HydrophobicContact CD1-CD2 4.38Å; L198-L202 HydrophobicContact CD1-CG 3.91Å; L198-L202 HydrophobicContact CD2-CD1 4.36Å; L198-L202 HydrophobicContact CG-CD1 3.78Å; L198-L202 HydrophobicContact CG-CG 4.21Å; L198-L202 WeakPolarHBondContact O-CB 3.17Å; L198-L202 VanDerWaalsContact O-CG 3.22Å; L198-L202 WeakPolarHBondContact O-CG 3.17Å; L198-L202 PolarHBondContact O-N 2.83Å; E200-L202 VanDerWaalsContact C-N 3.28Å; E200-L202 PolarHBondContact O-N 3.1Å; L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.46Å; L202-L206 WeakPolarHBondContact O-CD1 3.37Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.31Å; L202-L206 PolarHBondContact O-N 2.8Å; L202-I216 HydrophobicContact CB-CD1 4.41Å; L202-I216 HydrophobicContact CD2-CD1 3.68Å; L202-V234 HydrophobicContact CD2-CG1 3.64Å; L202-L256 HydrophobicContact CD1-CD2 3.77Å |
| 203 | L | 91.9 | Very high | 81 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -42.7 | 174.2 | -172.9 | 75.9 | 0 | 0 | 0 | 111.9 | W199 E200 L206 Q207 W218 F277 P281 I284 | W199-L203 WeakPolarHBondContact O-CB 3.46Å; W199-L203 PolarHBondContact O-N 3.11Å; W199-L203 VanDerWaalsContact O-N 3.09Å; E200-L203 CarbonylContact O-C 3.56Å; E200-L203 WeakPolarHBondContact O-CA 3.27Å; E200-L203 VanDerWaalsContact O-CB 3.31Å; E200-L203 WeakPolarHBondContact O-CB 3.48Å; E200-L203 PolarHBondContact O-N 3.25Å; L203-L206 CarbonylContact O-C 3.39Å; L203-L206 WeakPolarHBondContact O-CB 3.41Å; L203-L206 PolarHBondContact O-N 3.22Å; L203-Q207 WeakPolarHBondContact O-CG 3.26Å; L203-Q207 PolarHBondContact O-N 3.26Å; L203-Q207 PolarHBondContact O-NE2 3.04Å; L203-W218 HydrophobicContact CD1-CH2 4.23Å; L203-W218 HydrophobicContact CD1-CZ2 4.29Å; L203-F277 HydrophobicContact CB-CZ 4.3Å; L203-F277 HydrophobicContact CD1-CE2 4.21Å; L203-F277 HydrophobicContact CD1-CZ 4.21Å; L203-P281 HydrophobicContact CD1-CB 4.3Å; L203-P281 HydrophobicContact CD1-CG 4.02Å; L203-P281 HydrophobicContact CD2-CB 3.56Å; L203-P281 HydrophobicContact CD2-CG 3.81Å; L203-I284 HydrophobicContact CD1-CD1 3.77Å; L203-I284 HydrophobicContact CD1-CG1 3.74Å; L203-I284 HydrophobicContact CG-CG1 4.45Å |
| 204 | D | 90.8 | Very high | 82.5 | Confident | 73 Ų | 73 | 63.4 Ų | 63.4 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 174.7 | -65.9 | -23 | 0 | 0 | 0 | 110.2 | E200 L206 Q207 D208 | E200-D204 PolarHBondContact O-N 3.18Å; D204-L206 PolarHBondContact O-N 2.94Å; D204-Q207 WeakPolarHBondContact O-CB 3.25Å; D204-Q207 PolarHBondContact O-N 3.21Å; D204-D208 PolarHBondContact O-N 3.03Å |
| 205 | L | 91.4 | Very high | 84 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -27.3 | 176.2 | -169.8 | 63.6 | 0 | 0 | 0 | 113 | F201 Q207 T211 C212 I216 V234 L237 | F201-L205 HydrophobicContact CE1-CD2 4.22Å; F201-L205 HydrophobicContact CZ-CD2 4.3Å; F201-L205 WeakPolarHBondContact O-CB 3.1Å; F201-L205 PolarHBondContact O-N 2.9Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-T211 HydrophobicContact CD1-CG2 3.67Å; L205-C212 PolarHBondContact O-SG 2.97Å; L205-I216 HydrophobicContact CB-CG2 4.32Å; L205-I216 HydrophobicContact CD2-CB 4.5Å; L205-I216 HydrophobicContact CD2-CG2 3.93Å; L205-I216 HydrophobicContact CG-CG2 3.72Å; L205-V234 HydrophobicContact CD2-CG1 4.24Å; L205-V234 HydrophobicContact CD2-CG2 4.13Å; L205-L237 HydrophobicContact CD1-CD2 3.43Å; L205-L237 VanDerWaalsContact CD1-CD2 3.43Å; L205-L237 HydrophobicContact CD2-CD2 4.07Å; L205-L237 HydrophobicContact CG-CD2 4.41Å |
| 206 | L | 89.9 | Confident | 85 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.9 | 173.9 | -86.1 | 165.8 | 0 | 0 | 0 | 114.6 | L202 L203 D204 I216 K217 W218 F226 F277 | L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.46Å; L202-L206 WeakPolarHBondContact O-CD1 3.37Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.31Å; L202-L206 PolarHBondContact O-N 2.8Å; L203-L206 CarbonylContact O-C 3.39Å; L203-L206 WeakPolarHBondContact O-CB 3.41Å; L203-L206 PolarHBondContact O-N 3.22Å; D204-L206 PolarHBondContact O-N 2.94Å; L206-I216 HydrophobicContact CD1-CD1 4.03Å; L206-I216 HydrophobicContact CD1-CG1 4.4Å; L206-I216 HydrophobicContact CD2-CB 4.47Å; L206-I216 HydrophobicContact CD2-CD1 4.41Å; L206-I216 HydrophobicContact CD2-CG1 3.95Å; L206-I216 HydrophobicContact CD2-CG2 3.96Å; L206-I216 HydrophobicContact CG-CD1 3.94Å; L206-I216 HydrophobicContact CG-CG1 4.03Å; L206-I216 HydrophobicContact CG-CG2 3.95Å; L206-K217 VanDerWaalsContact CD2-C 3.44Å; L206-W218 HydrophobicContact CB-CZ2 3.71Å; L206-W218 HydrophobicContact CD1-CD2 4.48Å; L206-W218 HydrophobicContact CD1-CH2 3.88Å; L206-W218 HydrophobicContact CD1-CZ2 3.83Å; L206-W218 HydrophobicContact CD1-CZ3 4.23Å; L206-W218 HydrophobicContact CD2-CD2 4.01Å; L206-W218 HydrophobicContact CD2-CG 4.08Å; L206-W218 HydrophobicContact CD2-CZ2 4.39Å; L206-W218 HydrophobicContact CG-CZ2 4.19Å; L206-W218 PolarHBondContact O-NE1 3.19Å; L206-F226 HydrophobicContact CD1-CB 3.69Å; L206-F226 HydrophobicContact CD1-CD1 4.08Å; L206-F226 HydrophobicContact CD1-CD2 3.91Å; L206-F226 HydrophobicContact CD1-CG 3.64Å; L206-F226 HydrophobicContact CD2-CB 4.08Å; L206-F277 HydrophobicContact CD1-CE2 4.17Å |
| 207 | Q | 86.8 | Confident | 85.2 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -19.7 | 171.5 | -67.8 | 164.6 | 97.4 | 0 | 0 | 112 | L203 D204 L205 K209 N283 I287 | L203-Q207 WeakPolarHBondContact O-CG 3.26Å; L203-Q207 PolarHBondContact O-N 3.26Å; L203-Q207 PolarHBondContact O-NE2 3.04Å; D204-Q207 WeakPolarHBondContact O-CB 3.25Å; D204-Q207 PolarHBondContact O-N 3.21Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; Q207-K209 PolarHBondContact O-N 2.87Å; Q207-N283 PolarHBondContact OE1-O 3.22Å; Q207-I287 WeakPolarHBondContact O-CD1 3.3Å |
| 208 | D | 82.6 | Confident | 85.1 | Confident | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | trans | -67.6 | 90.2 | 175.8 | -83.7 | -23.7 | 0 | 0 | 0 | 112.3 | D204 N210 T211 C212 | D204-D208 PolarHBondContact O-N 3.03Å; D208-N210 PolarHBondContact O-N 3.34Å; D208-N210 VanDerWaalsContact O-N 3.1Å; D208-T211 PolarHBondContact O-N 3.23Å; D208-C212 PolarHBondContact O-N 3.38Å | ||
| 209 | K | 66.4 | Low | 85 | Confident | 122 Ų | 122 | 58 Ų | 58 | 53% | 0.53 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.6 | -46.2 | 175.3 | -63 | -153.6 | -174.3 | -149.7 | 0 | 113.2 | Q207 T211 I287 | Q207-K209 PolarHBondContact O-N 2.87Å; K209-T211 PolarHBondContact O-N 2.9Å; K209-T211 VanDerWaalsContact O-N 3.13Å; K209-I287 HydrophobicContact CD-CG2 3.87Å; K209-I287 HydrophobicContact CG-CD1 3.84Å; K209-I287 HydrophobicContact CG-CG1 4.43Å; K209-I287 HydrophobicContact CG-CG2 3.93Å |
| 210 | N | 62.7 | Low | 84.9 | Confident | 165 Ų | 165 | 58.7 Ų | 58.7 | 88% | 0.882 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -4.8 | -171.8 | -58.1 | 26 | 0 | 0 | 0 | 112.9 | D208 | D208-N210 PolarHBondContact O-N 3.34Å; D208-N210 VanDerWaalsContact O-N 3.1Å |
| 211 | T | 62.3 | Low | 84.7 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 20% | 0.202 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -34.2 | -172.3 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | L205 D208 K209 R214 Y215 | L205-T211 HydrophobicContact CD1-CG2 3.67Å; D208-T211 PolarHBondContact O-N 3.23Å; K209-T211 PolarHBondContact O-N 2.9Å; K209-T211 VanDerWaalsContact O-N 3.13Å; T211-R214 PolarHBondContact O-N 2.92Å; T211-Y215 HydrophobicContact CG2-CD2 3.39Å; T211-Y215 HydrophobicContact CG2-CE2 3.83Å; T211-Y215 HydrophobicContact CG2-CG 4.42Å |
| 212 | C | 60.4 | Low | 84.5 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 109.1 | 165.6 | -73.1 | 0 | 0 | 0 | 0 | 109.2 | L205 D208 I216 | L205-C212 PolarHBondContact O-SG 2.97Å; D208-C212 PolarHBondContact O-N 3.38Å; C212-I216 WeakPolarHBondContact CA-O 3.48Å; C212-I216 PolarHBondContact SG-O 2.86Å |
| 213 | P | 75 | Confident | 84.3 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -121.6 | 7.7 | 47.4 | 40.2 | -34.2 | 0 | 0 | 0 | 115.4 | K217 V229 | P213-K217 HydrophobicContact CB-CB 4.28Å; P213-K217 HydrophobicContact CB-CD 4.2Å; P213-V229 WeakPolarHBondContact O-CG2 3.43Å |
| 214 | R | 86 | Confident | 84.4 | Confident | 181 Ų | 181 | 70.7 Ų | 70.7 | 68% | 0.683 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -35.7 | -166.1 | -169.6 | 177.5 | -179.8 | 164.8 | 2 | 113.8 | T211 | T211-R214 PolarHBondContact O-N 2.92Š|
| 215 | Y | 91.1 | Very high | 84.5 | Confident | 69 Ų | 69 | 68 Ų | 68 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -111.6 | -38.3 | -175.4 | -53.3 | -37.7 | 0 | 0 | 0 | 112.7 | T211 V229 D230 A233 V234 | T211-Y215 HydrophobicContact CG2-CD2 3.39Å; T211-Y215 HydrophobicContact CG2-CE2 3.83Å; T211-Y215 HydrophobicContact CG2-CG 4.42Å; Y215-V229 PolarHBondContact O-N 3.27Å; Y215-D230 HydrophobicContact CD1-CB 4.3Å; Y215-D230 PolarHBondContact O-N 2.91Å; Y215-D230 VanDerWaalsContact O-N 3.13Å; Y215-A233 HydrophobicContact CD1-CB 3.33Å; Y215-A233 HydrophobicContact CE1-CB 3.61Å; Y215-A233 HydrophobicContact CG-CB 3.9Å; Y215-V234 VanDerWaalsContact O-CG2 3.28Å; Y215-V234 WeakPolarHBondContact O-CG2 3.5Å |
| 216 | I | 94.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 154.8 | 177.2 | -158.6 | 165.9 | 0 | 0 | 0 | 108.1 | L202 L205 L206 C212 F226 K227 L228 V234 | L202-I216 HydrophobicContact CB-CD1 4.41Å; L202-I216 HydrophobicContact CD2-CD1 3.68Å; L205-I216 HydrophobicContact CB-CG2 4.32Å; L205-I216 HydrophobicContact CD2-CB 4.5Å; L205-I216 HydrophobicContact CD2-CG2 3.93Å; L205-I216 HydrophobicContact CG-CG2 3.72Å; L206-I216 HydrophobicContact CD1-CD1 4.03Å; L206-I216 HydrophobicContact CD1-CG1 4.4Å; L206-I216 HydrophobicContact CD2-CB 4.47Å; L206-I216 HydrophobicContact CD2-CD1 4.41Å; L206-I216 HydrophobicContact CD2-CG1 3.95Å; L206-I216 HydrophobicContact CD2-CG2 3.96Å; L206-I216 HydrophobicContact CG-CD1 3.94Å; L206-I216 HydrophobicContact CG-CG1 4.03Å; L206-I216 HydrophobicContact CG-CG2 3.95Å; C212-I216 WeakPolarHBondContact CA-O 3.48Å; C212-I216 PolarHBondContact SG-O 2.86Å; I216-F226 HydrophobicContact CD1-CD2 3.81Å; I216-F226 HydrophobicContact CD1-CE2 4.05Å; I216-F226 HydrophobicContact CG1-CD2 4.1Å; I216-K227 CarbonylContact C-O 3.48Å; I216-K227 WeakPolarHBondContact CA-O 3.39Å; I216-K227 WeakPolarHBondContact CG1-O 3.46Å; I216-L228 HydrophobicContact CD1-CD1 3.61Å; I216-L228 HydrophobicContact CD1-CG 4.17Å; I216-L228 HydrophobicContact CG1-CD1 3.95Å; I216-L228 HydrophobicContact CG1-CG 4.29Å; I216-V234 HydrophobicContact CB-CG2 4.37Å |
| 217 | K | 92.9 | Very high | 85 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 155.4 | 169.7 | 68.2 | 175.5 | -170.7 | 168.6 | 0 | 112.2 | L206 P213 F226 K227 V229 | L206-K217 VanDerWaalsContact CD2-C 3.44Å; P213-K217 HydrophobicContact CB-CB 4.28Å; P213-K217 HydrophobicContact CB-CD 4.2Å; K217-F226 CarbonylContact O-C 3.55Å; K217-F226 VanDerWaalsContact O-CA 3.31Å; K217-F226 WeakPolarHBondContact O-CA 3.49Å; K217-F226 WeakPolarHBondContact O-CB 3.49Å; K217-K227 PolarHBondContact N-O 2.86Å; K217-K227 PolarHBondContact O-N 3.19Å; K217-V229 HydrophobicContact CD-CG2 4.32Å; K217-V229 HydrophobicContact CG-CG2 3.96Å |
| 218 | W | 92.9 | Very high | 85.4 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 142.9 | 162.8 | -63 | 104 | 0 | 0 | 0 | 110 | L203 L206 R221 F226 F277 M280 I284 | L203-W218 HydrophobicContact CD1-CH2 4.23Å; L203-W218 HydrophobicContact CD1-CZ2 4.29Å; L206-W218 HydrophobicContact CB-CZ2 3.71Å; L206-W218 HydrophobicContact CD1-CD2 4.48Å; L206-W218 HydrophobicContact CD1-CH2 3.88Å; L206-W218 HydrophobicContact CD1-CZ2 3.83Å; L206-W218 HydrophobicContact CD1-CZ3 4.23Å; L206-W218 HydrophobicContact CD2-CD2 4.01Å; L206-W218 HydrophobicContact CD2-CG 4.08Å; L206-W218 HydrophobicContact CD2-CZ2 4.39Å; L206-W218 HydrophobicContact CG-CZ2 4.19Å; L206-W218 PolarHBondContact O-NE1 3.19Å; W218-R221 HydrophobicContact CB-CB 4.23Å; W218-R221 HydrophobicContact CD2-CG 4.3Å; W218-R221 HydrophobicContact CG-CB 4.28Å; W218-R221 HydrophobicContact CG-CG 4.27Å; W218-F226 HydrophobicContact CE3-CB 3.97Å; W218-F226 HydrophobicContact CZ3-CB 4.19Å; W218-F226 HydrophobicContact CZ3-CD1 4.29Å; W218-F277 AromaticContact CH2-CD2 3.91Å; W218-F277 HydrophobicContact CH2-CD2 3.91Å; W218-F277 AromaticContact CH2-CE2 3.82Å; W218-F277 HydrophobicContact CH2-CE2 3.82Å; W218-F277 HydrophobicContact CZ3-CD2 4.03Å; W218-F277 HydrophobicContact CZ3-CE2 4.21Å; W218-M280 HydrophobicContact CE3-CE 4.48Å; W218-M280 HydrophobicContact CH2-CE 3.7Å; W218-M280 HydrophobicContact CH2-SD 4.22Å; W218-M280 HydrophobicContact CZ2-CE 4.35Å; W218-M280 HydrophobicContact CZ3-CE 3.79Å; W218-M280 HydrophobicContact CZ3-SD 4.47Å; W218-I284 HydrophobicContact CH2-CD1 4.02Å; W218-I284 HydrophobicContact CZ2-CD1 3.91Å |
| 219 | T | 92.8 | Very high | 86 | Confident | 59 Ų | 59 | 69 Ų | 69 | 36% | 0.362 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -28.9 | 170.6 | 34 | 0 | 0 | 0 | 0 | 112.2 | I225 K227 | T219-I225 PolarHBondContact N-O 3.3Å; T219-I225 PolarHBondContact OG1-O 2.83Å; T219-K227 HydrophobicContact CG2-CB 3.88Å |
| 220 | Q | 91.8 | Very high | 87.4 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 94.7 | 169.3 | -97.3 | 161.7 | 90.7 | 0 | 0 | 105.7 | E222 K223 G224 I225 | Q220-E222 WeakPolarHBondContact CB-OE1 3.38Å; Q220-E222 VanDerWaalsContact CG-OE1 3.27Å; Q220-E222 WeakPolarHBondContact CG-OE1 3.31Å; Q220-K223 HydrophobicContact CB-CB 4.32Å; Q220-K223 PolarHBondContact O-N 2.94Å; Q220-G224 PolarHBondContact O-N 2.9Å; Q220-I225 HydrophobicContact CB-CB 4.04Å; Q220-I225 HydrophobicContact CB-CD1 4.09Å; Q220-I225 HydrophobicContact CB-CG1 4.21Å; Q220-I225 PolarHBondContact N-O 3.43Å; Q220-I225 VanDerWaalsContact N-O 3.11Å; Q220-I225 PolarHBondContact O-N 2.93Å |
| 221 | R | 88.8 | Confident | 89 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -44.6 | -170.6 | -176.1 | -171.1 | -77.8 | 172.4 | -5.8 | 109.9 | W218 K223 G224 M280 I287 | W218-R221 HydrophobicContact CB-CB 4.23Å; W218-R221 HydrophobicContact CD2-CG 4.3Å; W218-R221 HydrophobicContact CG-CB 4.28Å; W218-R221 HydrophobicContact CG-CG 4.27Å; R221-K223 PolarHBondContact O-N 2.83Å; R221-G224 PolarHBondContact O-N 2.79Å; R221-M280 WeakPolarHBondContact O-CE 3.47Å; R221-I287 VanDerWaalsContact CZ-O 3.25Å; R221-I287 PolarHBondContact NH1-O 3.23Å; R221-I287 PolarHBondContact NH2-O 3.11Å |
| 222 | E | 89.3 | Confident | 90.6 | Very high | 133 Ų | 133 | 65.3 Ų | 65.3 | 62% | 0.621 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.5 | 178.2 | 71.9 | -50.7 | 134.5 | 0 | 0 | 114.2 | Q220 | Q220-E222 WeakPolarHBondContact CB-OE1 3.38Å; Q220-E222 VanDerWaalsContact CG-OE1 3.27Å; Q220-E222 WeakPolarHBondContact CG-OE1 3.31Å |
| 223 | K | 91.1 | Very high | 92.2 | Very high | 111 Ų | 111 | 64.6 Ų | 64.6 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 5.4 | 174.1 | -62.6 | 175.5 | -155.2 | 166.9 | 0 | 113.9 | Q220 R221 I225 Q276 | Q220-K223 HydrophobicContact CB-CB 4.32Å; Q220-K223 PolarHBondContact O-N 2.94Å; R221-K223 PolarHBondContact O-N 2.83Å; K223-I225 VanDerWaalsContact C-N 3.26Å; K223-I225 HydrophobicContact CB-CD1 4.01Å; K223-I225 HydrophobicContact CB-CG1 3.9Å; K223-I225 HydrophobicContact CD-CD1 4.44Å; K223-I225 PolarHBondContact O-N 2.96Å; K223-Q276 WeakPolarHBondContact O-CG 3.37Å; K223-Q276 PolarHBondContact O-NE2 2.94Å |
| 224 | G | 92.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 21.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q220 R221 Q276 F277 | Q220-G224 PolarHBondContact O-N 2.9Å; R221-G224 PolarHBondContact O-N 2.79Å; G224-Q276 WeakPolarHBondContact O-CA 3.36Å; G224-F277 PolarHBondContact O-N 3.16Å |
| 225 | I | 94.5 | Very high | 93.7 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.1 | -178.5 | -46 | 177.8 | 0 | 0 | 0 | 110.1 | T219 Q220 K223 V268 V274 Y275 Q276 | T219-I225 PolarHBondContact N-O 3.3Å; T219-I225 PolarHBondContact OG1-O 2.83Å; Q220-I225 HydrophobicContact CB-CB 4.04Å; Q220-I225 HydrophobicContact CB-CD1 4.09Å; Q220-I225 HydrophobicContact CB-CG1 4.21Å; Q220-I225 PolarHBondContact N-O 3.43Å; Q220-I225 VanDerWaalsContact N-O 3.11Å; Q220-I225 PolarHBondContact O-N 2.93Å; K223-I225 VanDerWaalsContact C-N 3.26Å; K223-I225 HydrophobicContact CB-CD1 4.01Å; K223-I225 HydrophobicContact CB-CG1 3.9Å; K223-I225 HydrophobicContact CD-CD1 4.44Å; K223-I225 PolarHBondContact O-N 2.96Å; I225-V268 HydrophobicContact CG2-CG2 3.96Å; I225-V274 HydrophobicContact CG2-CG1 3.58Å; I225-Y275 WeakPolarHBondContact CA-O 3.38Å; I225-Y275 WeakPolarHBondContact CG2-O 3.46Å; I225-Q276 HydrophobicContact CG1-CB 4.08Å; I225-Q276 HydrophobicContact CG1-CG 3.83Å |
| 226 | F | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156.9 | 179.9 | 65.4 | -86.5 | 0 | 0 | 0 | 112.2 | L206 I216 K217 W218 L228 L265 V274 Y275 F277 | L206-F226 HydrophobicContact CD1-CB 3.69Å; L206-F226 HydrophobicContact CD1-CD1 4.08Å; L206-F226 HydrophobicContact CD1-CD2 3.91Å; L206-F226 HydrophobicContact CD1-CG 3.64Å; L206-F226 HydrophobicContact CD2-CB 4.08Å; I216-F226 HydrophobicContact CD1-CD2 3.81Å; I216-F226 HydrophobicContact CD1-CE2 4.05Å; I216-F226 HydrophobicContact CG1-CD2 4.1Å; K217-F226 CarbonylContact O-C 3.55Å; K217-F226 VanDerWaalsContact O-CA 3.31Å; K217-F226 WeakPolarHBondContact O-CA 3.49Å; K217-F226 WeakPolarHBondContact O-CB 3.49Å; W218-F226 HydrophobicContact CE3-CB 3.97Å; W218-F226 HydrophobicContact CZ3-CB 4.19Å; W218-F226 HydrophobicContact CZ3-CD1 4.29Å; F226-L228 HydrophobicContact CD2-CD1 3.91Å; F226-L228 HydrophobicContact CE2-CD1 3.67Å; F226-L265 HydrophobicContact CE1-CD2 3.72Å; F226-L265 HydrophobicContact CZ-CD2 3.9Å; F226-V274 WeakPolarHBondContact O-CA 3.4Å; F226-V274 WeakPolarHBondContact O-CG1 3.4Å; F226-Y275 WeakPolarHBondContact CD1-O 3.37Å; F226-Y275 AromaticContact CE2-CD2 3.86Å; F226-Y275 HydrophobicContact CE2-CD2 3.86Å; F226-Y275 HydrophobicContact CE2-CG 4.43Å; F226-Y275 HydrophobicContact CZ-CD2 4.22Å; F226-Y275 HydrophobicContact CZ-CG 4.37Å; F226-Y275 PolarHBondContact N-O 3.16Å; F226-Y275 PolarHBondContact O-N 3.38Å; F226-F277 AromaticContact CD1-CD2 3.69Å; F226-F277 HydrophobicContact CD1-CD2 3.69Å; F226-F277 AromaticContact CD1-CE2 3.52Å; F226-F277 HydrophobicContact CD1-CE2 3.52Å; F226-F277 HydrophobicContact CD1-CZ 4.47Å; F226-F277 AromaticContact CE1-CD2 3.49Å; F226-F277 HydrophobicContact CE1-CD2 3.49Å; F226-F277 VanDerWaalsContact CE1-CD2 3.49Å; F226-F277 AromaticContact CE1-CE2 3.23Å; F226-F277 HydrophobicContact CE1-CE2 3.23Å; F226-F277 HydrophobicContact CE1-CG 4.24Å; F226-F277 AromaticContact CE1-CZ 3.81Å; F226-F277 HydrophobicContact CE1-CZ 3.81Å; F226-F277 HydrophobicContact CZ-CE2 4.04Å; F226-F277 HydrophobicContact CZ-CZ 4.22Å |
| 227 | K | 95.2 | Very high | 93.9 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 35% | 0.352 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.7 | 177.3 | -176.1 | 166 | -174.2 | 175.4 | 0 | 110.7 | I216 K217 T219 V229 L273 V274 | I216-K227 CarbonylContact C-O 3.48Å; I216-K227 WeakPolarHBondContact CA-O 3.39Å; I216-K227 WeakPolarHBondContact CG1-O 3.46Å; K217-K227 PolarHBondContact N-O 2.86Å; K217-K227 PolarHBondContact O-N 3.19Å; T219-K227 HydrophobicContact CG2-CB 3.88Å; K227-V229 PolarHBondContact O-N 3.09Å; K227-L273 WeakPolarHBondContact CA-O 3.28Å; K227-V274 HydrophobicContact CB-CG2 3.96Å; K227-V274 HydrophobicContact CD-CG2 3.8Å; K227-V274 HydrophobicContact CG-CG2 3.77Å |
| 228 | L | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 117.5 | 161.6 | -83.3 | 64.9 | 0 | 0 | 0 | 107.5 | I216 F226 V234 M252 L273 Y275 | I216-L228 HydrophobicContact CD1-CD1 3.61Å; I216-L228 HydrophobicContact CD1-CG 4.17Å; I216-L228 HydrophobicContact CG1-CD1 3.95Å; I216-L228 HydrophobicContact CG1-CG 4.29Å; F226-L228 HydrophobicContact CD2-CD1 3.91Å; F226-L228 HydrophobicContact CE2-CD1 3.67Å; L228-V234 HydrophobicContact CD2-CB 4.27Å; L228-V234 HydrophobicContact CD2-CG1 4.08Å; L228-V234 HydrophobicContact CD2-CG2 4.5Å; L228-V234 HydrophobicContact CG-CG1 4.42Å; L228-V234 HydrophobicContact CG-CG2 4.23Å; L228-M252 HydrophobicContact CD2-CE 3.8Å; L228-L273 HydrophobicContact CB-CB 4.17Å; L228-L273 PolarHBondContact N-O 3.01Å; L228-L273 WeakPolarHBondContact O-CB 3.04Å; L228-Y275 HydrophobicContact CD1-CD2 3.96Å; L228-Y275 HydrophobicContact CD1-CE2 3.94Å |
| 229 | V | 95 | Very high | 94.1 | Very high | 70 Ų | 70 | 53 Ų | 53 | 42% | 0.424 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -85.1 | -45.8 | -179.2 | 178.5 | 0 | 0 | 0 | 0 | 110 | P213 Y215 K217 K227 | P213-V229 WeakPolarHBondContact O-CG2 3.43Å; Y215-V229 PolarHBondContact O-N 3.27Å; K217-V229 HydrophobicContact CD-CG2 4.32Å; K217-V229 HydrophobicContact CG-CG2 3.96Å; K227-V229 PolarHBondContact O-N 3.09Å |
| 230 | D | 95.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | trans | -122.4 | 96.7 | 168.2 | -178.3 | -8.5 | 0 | 0 | 0 | 109.8 | Y215 K232 A233 V234 | Y215-D230 HydrophobicContact CD1-CB 4.3Å; Y215-D230 PolarHBondContact O-N 2.91Å; Y215-D230 VanDerWaalsContact O-N 3.13Å; D230-K232 PolarHBondContact O-N 2.76Å; D230-K232 WeakPolarHBondContact OD1-CA 3.48Å; D230-K232 VanDerWaalsContact OD1-CB 3.3Å; D230-K232 WeakPolarHBondContact OD1-CB 3.38Å; D230-K232 PolarHBondContact OD1-N 2.93Å; D230-A233 HydrophobicContact CB-CB 3.9Å; D230-A233 VanDerWaalsContact CG-CB 3.45Å; D230-A233 PolarHBondContact O-N 2.97Å; D230-A233 PolarHBondContact OD1-N 3.19Å; D230-A233 VanDerWaalsContact OD2-CB 3.25Å; D230-A233 WeakPolarHBondContact OD2-CB 3.22Å; D230-V234 WeakPolarHBondContact O-CG2 3.47Å; D230-V234 PolarHBondContact O-N 3.13Å | ||
| 231 | S | 95.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -25.6 | 177.4 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | S235 | S231-S235 WeakPolarHBondContact O-CB 3.43Å; S231-S235 PolarHBondContact O-N 2.8Å; S231-S235 PolarHBondContact O-OG 3.4Å |
| 232 | K | 96 | Very high | 94.4 | Very high | 158 Ų | 158 | 55.7 Ų | 55.7 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -74.8 | -44.6 | 176.2 | -59.8 | 176.4 | -179.5 | 175 | 0 | 110 | D230 S235 K236 | D230-K232 PolarHBondContact O-N 2.76Å; D230-K232 WeakPolarHBondContact OD1-CA 3.48Å; D230-K232 VanDerWaalsContact OD1-CB 3.3Å; D230-K232 WeakPolarHBondContact OD1-CB 3.38Å; D230-K232 PolarHBondContact OD1-N 2.93Å; K232-S235 PolarHBondContact O-N 3.06Å; K232-K236 WeakPolarHBondContact O-CG 3.19Å; K232-K236 PolarHBondContact O-N 3.24Å |
| 233 | A | 94.9 | Very high | 94.5 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y215 D230 S235 K236 L237 | Y215-A233 HydrophobicContact CD1-CB 3.33Å; Y215-A233 HydrophobicContact CE1-CB 3.61Å; Y215-A233 HydrophobicContact CG-CB 3.9Å; D230-A233 HydrophobicContact CB-CB 3.9Å; D230-A233 VanDerWaalsContact CG-CB 3.45Å; D230-A233 PolarHBondContact O-N 2.97Å; D230-A233 PolarHBondContact OD1-N 3.19Å; D230-A233 VanDerWaalsContact OD2-CB 3.25Å; D230-A233 WeakPolarHBondContact OD2-CB 3.22Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 2.72Å; A233-K236 PolarHBondContact O-N 2.92Å; A233-L237 WeakPolarHBondContact O-CB 3.44Å; A233-L237 PolarHBondContact O-N 2.83Å |
| 234 | V | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 175.4 | 175.3 | 0 | 0 | 0 | 0 | 111 | L202 L205 Y215 I216 L228 D230 L237 W238 M252 | L202-V234 HydrophobicContact CD2-CG1 3.64Å; L205-V234 HydrophobicContact CD2-CG1 4.24Å; L205-V234 HydrophobicContact CD2-CG2 4.13Å; Y215-V234 VanDerWaalsContact O-CG2 3.28Å; Y215-V234 WeakPolarHBondContact O-CG2 3.5Å; I216-V234 HydrophobicContact CB-CG2 4.37Å; L228-V234 HydrophobicContact CD2-CB 4.27Å; L228-V234 HydrophobicContact CD2-CG1 4.08Å; L228-V234 HydrophobicContact CD2-CG2 4.5Å; L228-V234 HydrophobicContact CG-CG1 4.42Å; L228-V234 HydrophobicContact CG-CG2 4.23Å; D230-V234 WeakPolarHBondContact O-CG2 3.47Å; D230-V234 PolarHBondContact O-N 3.13Å; V234-L237 PolarHBondContact O-N 3.37Å; V234-W238 WeakPolarHBondContact O-CB 3.46Å; V234-W238 PolarHBondContact O-N 3.3Å; V234-M252 HydrophobicContact CG1-CE 3.98Å; V234-M252 HydrophobicContact CG1-SD 4.11Å |
| 235 | S | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -42.9 | 177.6 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | S231 K232 A233 L237 W238 G239 M247 Y249 M252 | S231-S235 WeakPolarHBondContact O-CB 3.43Å; S231-S235 PolarHBondContact O-N 2.8Å; S231-S235 PolarHBondContact O-OG 3.4Å; K232-S235 PolarHBondContact O-N 3.06Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 2.72Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 2.86Å; S235-W238 PolarHBondContact O-N 2.87Å; S235-G239 PolarHBondContact O-N 3.21Å; S235-M247 VanDerWaalsContact O-CG 3.22Å; S235-M247 WeakPolarHBondContact O-CG 3.43Å; S235-Y249 WeakPolarHBondContact OG-CA 3.45Å; S235-Y249 WeakPolarHBondContact OG-CB 3.11Å; S235-Y249 PolarHBondContact OG-N 3Å; S235-Y249 VanDerWaalsContact OG-N 3.17Å; S235-M252 WeakPolarHBondContact OG-CE 3.29Å |
| 236 | K | 95.2 | Very high | 94.6 | Very high | 152 Ų | 152 | 67.7 Ų | 67.7 | 66% | 0.661 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 173.7 | -75.9 | 178.5 | 176.6 | -176 | 0 | 111.8 | K232 A233 G239 K240 | K232-K236 WeakPolarHBondContact O-CG 3.19Å; K232-K236 PolarHBondContact O-N 3.24Å; A233-K236 PolarHBondContact O-N 2.92Å; K236-G239 PolarHBondContact O-N 2.92Å; K236-K240 WeakPolarHBondContact O-CB 3.3Å; K236-K240 PolarHBondContact O-N 3.28Å |
| 237 | L | 94.8 | Very high | 94.7 | Very high | 52 Ų | 52 | 69.1 Ų | 69.1 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 179.6 | -165.9 | 65 | 0 | 0 | 0 | 111.5 | F201 L205 A233 V234 S235 K240 H241 | F201-L237 HydrophobicContact CE2-CG 4.39Å; F201-L237 HydrophobicContact CZ-CB 4.07Å; F201-L237 HydrophobicContact CZ-CD2 4.15Å; F201-L237 HydrophobicContact CZ-CG 3.89Å; L205-L237 HydrophobicContact CD1-CD2 3.43Å; L205-L237 VanDerWaalsContact CD1-CD2 3.43Å; L205-L237 HydrophobicContact CD2-CD2 4.07Å; L205-L237 HydrophobicContact CG-CD2 4.41Å; A233-L237 WeakPolarHBondContact O-CB 3.44Å; A233-L237 PolarHBondContact O-N 2.83Å; V234-L237 PolarHBondContact O-N 3.37Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 2.86Å; L237-K240 HydrophobicContact CD1-CD 4.39Å; L237-K240 CarbonylContact O-C 3.6Å; L237-K240 WeakPolarHBondContact O-CB 3.3Å; L237-K240 PolarHBondContact O-N 3.31Å; L237-H241 PolarHBondContact O-N 3.31Å |
| 238 | W | 95.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 68.6 Ų | 68.6 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 170.6 | 177.2 | -130.7 | 0 | 0 | 0 | 112.3 | T196 Y197 L198 F201 V234 S235 K240 H241 K242 M247 M252 | T196-W238 WeakPolarHBondContact O-CH2 3.43Å; Y197-W238 VanDerWaalsContact C-CH2 3.43Å; L198-W238 VanDerWaalsContact CA-CH2 3.49Å; L198-W238 HydrophobicContact CB-CH2 4.04Å; L198-W238 HydrophobicContact CB-CZ2 3.61Å; L198-W238 HydrophobicContact CD1-CD2 3.81Å; L198-W238 HydrophobicContact CD1-CE3 4.36Å; L198-W238 HydrophobicContact CD1-CG 3.91Å; L198-W238 HydrophobicContact CD1-CZ2 4.27Å; F201-W238 HydrophobicContact CB-CE3 3.69Å; F201-W238 HydrophobicContact CB-CH2 4.37Å; F201-W238 HydrophobicContact CB-CZ3 3.42Å; F201-W238 VanDerWaalsContact CB-CZ3 3.42Å; F201-W238 HydrophobicContact CD1-CB 4.18Å; F201-W238 HydrophobicContact CD1-CD2 4.14Å; F201-W238 AromaticContact CD1-CE3 3.52Å; F201-W238 HydrophobicContact CD1-CE3 3.52Å; F201-W238 HydrophobicContact CD1-CG 4.45Å; F201-W238 HydrophobicContact CD1-CZ3 4.18Å; F201-W238 AromaticContact CD2-CE3 3.87Å; F201-W238 HydrophobicContact CD2-CE3 3.87Å; F201-W238 HydrophobicContact CD2-CZ3 4.25Å; F201-W238 HydrophobicContact CE1-CB 3.69Å; F201-W238 HydrophobicContact CE1-CE3 4.12Å; F201-W238 HydrophobicContact CE1-CG 4.43Å; F201-W238 HydrophobicContact CE2-CE3 4.41Å; F201-W238 HydrophobicContact CG-CD2 4.42Å; F201-W238 AromaticContact CG-CE3 3.39Å; F201-W238 HydrophobicContact CG-CE3 3.39Å; F201-W238 AromaticContact CG-CZ3 3.69Å; F201-W238 HydrophobicContact CG-CZ3 3.69Å; F201-W238 HydrophobicContact CZ-CB 4.12Å; V234-W238 WeakPolarHBondContact O-CB 3.46Å; V234-W238 PolarHBondContact O-N 3.3Å; S235-W238 PolarHBondContact O-N 2.87Å; W238-K240 PolarHBondContact O-N 2.9Å; W238-H241 HydrophobicContact CE3-CB 4.34Å; W238-H241 AromaticContact CZ3-CD2 3.81Å; W238-H241 WeakPolarHBondContact O-CB 3.36Å; W238-H241 PolarHBondContact O-N 2.97Å; W238-K242 HydrophobicContact CD2-CG 4.3Å; W238-K242 HydrophobicContact CE3-CD 4.42Å; W238-K242 HydrophobicContact CE3-CG 4.05Å; W238-K242 HydrophobicContact CH2-CD 3.4Å; W238-K242 HydrophobicContact CH2-CG 3.9Å; W238-K242 HydrophobicContact CZ2-CD 3.44Å; W238-K242 VanDerWaalsContact CZ2-CD 3.44Å; W238-K242 HydrophobicContact CZ2-CG 4.09Å; W238-K242 HydrophobicContact CZ3-CD 3.89Å; W238-K242 HydrophobicContact CZ3-CG 3.84Å; W238-K242 PolarHBondContact O-N 3.47Å; W238-M247 HydrophobicContact CB-CG 4.47Å; W238-M247 HydrophobicContact CG-CG 4.35Å; W238-M252 HydrophobicContact CB-SD 4.21Å; W238-M252 HydrophobicContact CG-SD 4.34Å |
| 239 | G | 95 | Very high | 94.9 | Very high | 2 Ų | 2 | 71.2 Ų | 71.2 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | S235 K236 H241 K242 N243 K244 M247 | S235-G239 PolarHBondContact O-N 3.21Å; K236-G239 PolarHBondContact O-N 2.92Å; G239-H241 VanDerWaalsContact C-N 3.26Å; G239-H241 PolarHBondContact O-N 3.36Å; G239-K242 PolarHBondContact O-N 3.36Å; G239-N243 CarbonylContact O-C 3.58Å; G239-N243 WeakPolarHBondContact O-CA 3.42Å; G239-N243 PolarHBondContact O-N 2.14Å; G239-K244 CarbonylContact C-O 3.58Å; G239-K244 WeakPolarHBondContact CA-O 3.25Å; G239-K244 PolarHBondContact O-N 3.48Å; G239-M247 VanDerWaalsContact CA-CB 3.44Å |
| 240 | K | 93.6 | Very high | 94.9 | Very high | 136 Ų | 136 | 72.1 Ų | 72.1 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.8 | -24.7 | 176.3 | -164.9 | -173.3 | -179.7 | -177.2 | 0 | 113 | R189 K236 L237 W238 | R189-K240 PolarHBondContact NH2-O 3.42Å; K236-K240 WeakPolarHBondContact O-CB 3.3Å; K236-K240 PolarHBondContact O-N 3.28Å; L237-K240 HydrophobicContact CD1-CD 4.39Å; L237-K240 CarbonylContact O-C 3.6Å; L237-K240 WeakPolarHBondContact O-CB 3.3Å; L237-K240 PolarHBondContact O-N 3.31Å; W238-K240 PolarHBondContact O-N 2.9Å |
| 241 | H | 91.9 | Very high | 95 | Very high | 70 Ų | 70 | 72.8 Ų | 72.8 | 32% | 0.324 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -76.9 | -50.1 | 173 | -171.4 | 76.5 | 0 | 0 | 0 | 111.8 | T196 F201 L237 W238 G239 N243 | T196-H241 WeakPolarHBondContact CB-NE2 3.4Å; T196-H241 WeakPolarHBondContact CG2-NE2 3.39Å; T196-H241 PolarHBondContact OG1-NE2 2.81Å; F201-H241 HydrophobicContact CD2-CB 4.18Å; F201-H241 AromaticContact CD2-CG 3.99Å; F201-H241 HydrophobicContact CE2-CB 4.01Å; L237-H241 PolarHBondContact O-N 3.31Å; W238-H241 HydrophobicContact CE3-CB 4.34Å; W238-H241 AromaticContact CZ3-CD2 3.81Å; W238-H241 WeakPolarHBondContact O-CB 3.36Å; W238-H241 PolarHBondContact O-N 2.97Å; G239-H241 VanDerWaalsContact C-N 3.26Å; G239-H241 PolarHBondContact O-N 3.36Å; H241-N243 VanDerWaalsContact C-N 3.35Å; H241-N243 PolarHBondContact O-N 2.65Å |
| 242 | K | 92.7 | Very high | 95 | Very high | 67 Ų | 67 | 71.8 Ų | 71.8 | 29% | 0.291 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -89.8 | 10.6 | -177.8 | -59.8 | -147.5 | 69.6 | 145.2 | 0 | 115.3 | N194 T196 W238 G239 K244 | N194-K242 PolarHBondContact O-NZ 3.48Å; T196-K242 PolarHBondContact O-NZ 3.45Å; W238-K242 HydrophobicContact CD2-CG 4.3Å; W238-K242 HydrophobicContact CE3-CD 4.42Å; W238-K242 HydrophobicContact CE3-CG 4.05Å; W238-K242 HydrophobicContact CH2-CD 3.4Å; W238-K242 HydrophobicContact CH2-CG 3.9Å; W238-K242 HydrophobicContact CZ2-CD 3.44Å; W238-K242 VanDerWaalsContact CZ2-CD 3.44Å; W238-K242 HydrophobicContact CZ2-CG 4.09Å; W238-K242 HydrophobicContact CZ3-CD 3.89Å; W238-K242 HydrophobicContact CZ3-CG 3.84Å; W238-K242 PolarHBondContact O-N 3.47Å; G239-K242 PolarHBondContact O-N 3.36Å; K242-K244 VanDerWaalsContact C-N 3.31Å; K242-K244 PolarHBondContact O-N 3.19Å |
| 243 | N | 93.2 | Very high | 95 | Very high | 141 Ų | 141 | 64.3 Ų | 64.3 | 75% | 0.754 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 47.1 | -174.1 | -157.8 | 56.8 | 0 | 0 | 0 | 113.5 | G239 H241 | G239-N243 CarbonylContact O-C 3.58Å; G239-N243 WeakPolarHBondContact O-CA 3.42Å; G239-N243 PolarHBondContact O-N 2.14Å; H241-N243 VanDerWaalsContact C-N 3.35Å; H241-N243 PolarHBondContact O-N 2.65Å |
| 244 | K | 94.1 | Very high | 95.1 | Very high | 127 Ų | 127 | 70.1 Ų | 70.1 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | trans | -120.6 | 94.3 | 174.9 | -70.2 | -59.9 | -173.4 | -178.7 | 0 | 109.1 | G239 K242 D246 M247 | G239-K244 CarbonylContact C-O 3.58Å; G239-K244 WeakPolarHBondContact CA-O 3.25Å; G239-K244 PolarHBondContact O-N 3.48Å; K242-K244 VanDerWaalsContact C-N 3.31Å; K242-K244 PolarHBondContact O-N 3.19Å; K244-D246 VanDerWaalsContact C-N 3.29Å; K244-D246 PolarHBondContact O-N 3.41Å; K244-M247 HydrophobicContact CB-CB 4.45Å; K244-M247 HydrophobicContact CB-CE 4.16Å; K244-M247 VanDerWaalsContact O-CB 3.32Å; K244-M247 WeakPolarHBondContact O-CB 3.44Å; K244-M247 PolarHBondContact O-N 3.07Å | ||
| 245 | P | 91.5 | Very high | 95.1 | Very high | 112 Ų | 112 | 71.5 Ų | 71.5 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -33.4 | -174.6 | 25.5 | -32.6 | 0 | 0 | 0 | 112.5 | M247 | P245-M247 PolarHBondContact O-N 3.44Å; P245-M247 VanDerWaalsContact O-N 3.11Å |
| 246 | D | 94.4 | Very high | 95.2 | Very high | 133 Ų | 133 | 71.5 Ų | 71.5 | 71% | 0.711 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 7.8 | -177.2 | -35.4 | -76 | 0 | 0 | 0 | 113.7 | K244 N248 | K244-D246 VanDerWaalsContact C-N 3.29Å; K244-D246 PolarHBondContact O-N 3.41Å; D246-N248 PolarHBondContact O-N 3.42Å; D246-N248 PolarHBondContact O-ND2 2.76Å |
| 247 | M | 96.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 69.6 Ų | 69.6 | 15% | 0.148 | 34% | 0.34 | C | S | . | . | trans | -67.4 | 114.5 | -178.7 | -172.4 | 63.3 | 67.6 | 0 | 0 | 111.2 | S235 W238 G239 K244 P245 T251 M252 | S235-M247 VanDerWaalsContact O-CG 3.22Å; S235-M247 WeakPolarHBondContact O-CG 3.43Å; W238-M247 HydrophobicContact CB-CG 4.47Å; W238-M247 HydrophobicContact CG-CG 4.35Å; G239-M247 VanDerWaalsContact CA-CB 3.44Å; K244-M247 HydrophobicContact CB-CB 4.45Å; K244-M247 HydrophobicContact CB-CE 4.16Å; K244-M247 VanDerWaalsContact O-CB 3.32Å; K244-M247 WeakPolarHBondContact O-CB 3.44Å; K244-M247 PolarHBondContact O-N 3.07Å; P245-M247 PolarHBondContact O-N 3.44Å; P245-M247 VanDerWaalsContact O-N 3.11Å; M247-T251 HydrophobicContact SD-CG2 4.15Å; M247-M252 HydrophobicContact SD-CB 4.24Å | ||
| 248 | N | 97.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 74.2 Ų | 74.2 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | trans | -124.5 | 169.4 | -179.2 | 64.7 | 77.3 | 0 | 0 | 0 | 110.4 | D246 E250 T251 M252 | D246-N248 PolarHBondContact O-N 3.42Å; D246-N248 PolarHBondContact O-ND2 2.76Å; N248-E250 VanDerWaalsContact C-N 3.33Å; N248-E250 PolarHBondContact O-N 3.15Å; N248-E250 PolarHBondContact OD1-N 3.1Å; N248-T251 PolarHBondContact ND2-OG1 2.98Å; N248-T251 PolarHBondContact O-N 3.27Å; N248-T251 PolarHBondContact OD1-N 3.05Å; N248-T251 PolarHBondContact OD1-OG1 3.38Å; N248-M252 WeakPolarHBondContact O-CB 3.24Å; N248-M252 PolarHBondContact O-N 3.44Å | ||
| 249 | Y | 97.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 74.1 Ų | 74.1 | 22% | 0.216 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.2 | -30.3 | -175.9 | 173.9 | -99.4 | 0 | 0 | 0 | 113.6 | S235 M252 G253 L256 L273 Y275 | S235-Y249 WeakPolarHBondContact OG-CA 3.45Å; S235-Y249 WeakPolarHBondContact OG-CB 3.11Å; S235-Y249 PolarHBondContact OG-N 3Å; S235-Y249 VanDerWaalsContact OG-N 3.17Å; Y249-M252 HydrophobicContact CD2-CE 3.95Å; Y249-G253 VanDerWaalsContact O-CA 3.31Å; Y249-G253 WeakPolarHBondContact O-CA 3.09Å; Y249-G253 PolarHBondContact O-N 3.16Å; Y249-L256 HydrophobicContact CE2-CD1 4.4Å; Y249-L273 HydrophobicContact CE1-CD2 4.22Å; Y249-L273 HydrophobicContact CE2-CD2 3.72Å; Y249-L273 WeakPolarHBondContact OH-CD2 3.22Å; Y249-Y275 PolarHBondContact OH-OH 3.28Å |
| 250 | E | 96.3 | Very high | 95.4 | Very high | 88 Ų | 88 | 76.9 Ų | 76.9 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.1 | -33.1 | 177.4 | -76 | -53.5 | 117.2 | 0 | 0 | 112.7 | N248 R254 R257 | N248-E250 VanDerWaalsContact C-N 3.33Å; N248-E250 PolarHBondContact O-N 3.15Å; N248-E250 PolarHBondContact OD1-N 3.1Å; E250-R254 WeakPolarHBondContact O-CG 3.42Å; E250-R254 PolarHBondContact O-NE 2.97Å; E250-R257 IonicContact OE2-NH2 3.16Å; E250-R257 PolarHBondContact OE2-NH2 3.37Å |
| 251 | T | 96.2 | Very high | 95.4 | Very high | 75 Ų | 75 | 78.2 Ų | 78.2 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.6 | -50.2 | 171.6 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | M247 N248 G253 R254 | M247-T251 HydrophobicContact SD-CG2 4.15Å; N248-T251 PolarHBondContact ND2-OG1 2.98Å; N248-T251 PolarHBondContact O-N 3.27Å; N248-T251 PolarHBondContact OD1-N 3.05Å; N248-T251 PolarHBondContact OD1-OG1 3.38Å; T251-G253 VanDerWaalsContact C-N 3.28Å; T251-G253 PolarHBondContact O-N 2.97Å; T251-R254 WeakPolarHBondContact O-CB 3.22Å; T251-R254 PolarHBondContact O-N 3.2Å; T251-R254 VanDerWaalsContact O-N 3.15Å |
| 252 | M | 96.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 82.5 Ų | 82.5 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 177.6 | -172.1 | -177.4 | 75 | 0 | 0 | 111.8 | L198 L228 V234 S235 W238 M247 N248 Y249 R254 A255 L256 | L198-M252 HydrophobicContact CD1-CG 3.76Å; L198-M252 HydrophobicContact CD1-SD 3.74Å; L198-M252 HydrophobicContact CD2-CG 3.46Å; L198-M252 VanDerWaalsContact CD2-CG 3.46Å; L198-M252 HydrophobicContact CD2-SD 4.39Å; L198-M252 HydrophobicContact CG-CG 4.28Å; L228-M252 HydrophobicContact CD2-CE 3.8Å; V234-M252 HydrophobicContact CG1-CE 3.98Å; V234-M252 HydrophobicContact CG1-SD 4.11Å; S235-M252 WeakPolarHBondContact OG-CE 3.29Å; W238-M252 HydrophobicContact CB-SD 4.21Å; W238-M252 HydrophobicContact CG-SD 4.34Å; M247-M252 HydrophobicContact SD-CB 4.24Å; N248-M252 WeakPolarHBondContact O-CB 3.24Å; N248-M252 PolarHBondContact O-N 3.44Å; Y249-M252 HydrophobicContact CD2-CE 3.95Å; M252-R254 PolarHBondContact O-N 3.46Å; M252-A255 WeakPolarHBondContact O-CB 3.42Å; M252-A255 PolarHBondContact O-N 3.21Å; M252-L256 PolarHBondContact O-N 2.87Å |
| 253 | G | 96.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 80.7 Ų | 80.7 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.7 | -20.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y249 T251 R257 | Y249-G253 VanDerWaalsContact O-CA 3.31Å; Y249-G253 WeakPolarHBondContact O-CA 3.09Å; Y249-G253 PolarHBondContact O-N 3.16Å; T251-G253 VanDerWaalsContact C-N 3.28Å; T251-G253 PolarHBondContact O-N 2.97Å; G253-R257 VanDerWaalsContact O-CG 3.24Å; G253-R257 WeakPolarHBondContact O-CG 2.69Å; G253-R257 PolarHBondContact O-N 3.37Å |
| 254 | R | 96.8 | Very high | 95.7 | Very high | 138 Ų | 138 | 75.8 Ų | 75.8 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 169.3 | -53.2 | -51.8 | 168.9 | 113.3 | -7.4 | 111.1 | E250 T251 M252 L256 R257 Y258 | E250-R254 WeakPolarHBondContact O-CG 3.42Å; E250-R254 PolarHBondContact O-NE 2.97Å; T251-R254 WeakPolarHBondContact O-CB 3.22Å; T251-R254 PolarHBondContact O-N 3.2Å; T251-R254 VanDerWaalsContact O-N 3.15Å; M252-R254 PolarHBondContact O-N 3.46Å; R254-L256 PolarHBondContact O-N 2.65Å; R254-R257 PolarHBondContact O-N 2.9Å; R254-Y258 HydrophobicContact CB-CE2 4.31Å; R254-Y258 WeakPolarHBondContact O-CD2 3.48Å; R254-Y258 PolarHBondContact O-N 3.41Å |
| 255 | A | 95.9 | Very high | 95.8 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 24% | 0.24 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L198 M252 R257 Y258 Y259 | L198-A255 HydrophobicContact CB-CB 4.49Å; L198-A255 HydrophobicContact CD2-CB 3.69Å; M252-A255 WeakPolarHBondContact O-CB 3.42Å; M252-A255 PolarHBondContact O-N 3.21Å; A255-R257 PolarHBondContact O-N 2.73Å; A255-Y258 PolarHBondContact O-N 3.17Å; A255-Y259 HydrophobicContact CB-CE2 4.36Å; A255-Y259 WeakPolarHBondContact O-CD2 3.49Å; A255-Y259 VanDerWaalsContact O-CG 3.26Å; A255-Y259 PolarHBondContact O-N 2.94Å |
| 256 | L | 96.8 | Very high | 96 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.7 | -46.9 | 171.8 | -64.6 | 177.9 | 0 | 0 | 0 | 112 | L198 L202 Y249 M252 R254 Y258 Y259 Y260 L265 Y275 | L198-L256 HydrophobicContact CD2-CD2 3.96Å; L198-L256 HydrophobicContact CD2-CG 4.06Å; L202-L256 HydrophobicContact CD1-CD2 3.77Å; Y249-L256 HydrophobicContact CE2-CD1 4.4Å; M252-L256 PolarHBondContact O-N 2.87Å; R254-L256 PolarHBondContact O-N 2.65Å; L256-Y258 PolarHBondContact O-N 3.19Å; L256-Y259 HydrophobicContact CD2-CD2 4.44Å; L256-Y259 WeakPolarHBondContact O-CB 3.21Å; L256-Y259 PolarHBondContact O-N 2.86Å; L256-Y260 VanDerWaalsContact O-CD1 3.29Å; L256-Y260 WeakPolarHBondContact O-CD1 3.4Å; L256-Y260 VanDerWaalsContact O-CE1 3.24Å; L256-Y260 WeakPolarHBondContact O-CE1 3.47Å; L256-Y260 PolarHBondContact O-N 3.49Å; L256-L265 HydrophobicContact CD2-CD1 3.71Å; L256-Y275 HydrophobicContact CD1-CE2 3.92Å |
| 257 | R | 96.4 | Very high | 96.1 | Very high | 113 Ų | 113 | 63.8 Ų | 63.8 | 43% | 0.426 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 177.2 | -68.6 | 169.9 | -155.3 | 178.4 | 12.2 | 112.4 | E250 G253 R254 A255 Y259 Y260 | E250-R257 IonicContact OE2-NH2 3.16Å; E250-R257 PolarHBondContact OE2-NH2 3.37Å; G253-R257 VanDerWaalsContact O-CG 3.24Å; G253-R257 WeakPolarHBondContact O-CG 2.69Å; G253-R257 PolarHBondContact O-N 3.37Å; R254-R257 PolarHBondContact O-N 2.9Å; A255-R257 PolarHBondContact O-N 2.73Å; R257-Y259 VanDerWaalsContact C-N 3.31Å; R257-Y259 PolarHBondContact O-N 3.37Å; R257-Y260 HydrophobicContact CB-CE2 4.31Å; R257-Y260 HydrophobicContact CG-CE2 3.98Å; R257-Y260 PolarHBondContact O-N 3Å |
| 258 | Y | 96.9 | Very high | 96 | Very high | 149 Ų | 149 | 63.7 Ų | 63.7 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.8 | -31.7 | 172.9 | -69.2 | -56.8 | 0 | 0 | 0 | 113 | R254 A255 L256 Y260 Q261 R262 | R254-Y258 HydrophobicContact CB-CE2 4.31Å; R254-Y258 WeakPolarHBondContact O-CD2 3.48Å; R254-Y258 PolarHBondContact O-N 3.41Å; A255-Y258 PolarHBondContact O-N 3.17Å; L256-Y258 PolarHBondContact O-N 3.19Å; Y258-Y260 VanDerWaalsContact C-N 3.3Å; Y258-Y260 PolarHBondContact O-N 2.84Å; Y258-Q261 PolarHBondContact O-N 3.28Å; Y258-R262 WeakPolarHBondContact O-CB 3.38Å; Y258-R262 WeakPolarHBondContact O-CG 3.39Å; Y258-R262 PolarHBondContact O-N 2.78Å |
| 259 | Y | 96.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 66.8 Ų | 66.8 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.3 | -22 | 176.8 | -63.1 | -35.8 | 0 | 0 | 0 | 113.8 | L198 W199 A255 L256 R257 G263 I264 L265 | L198-Y259 HydrophobicContact CB-CE2 3.89Å; L198-Y259 HydrophobicContact CD2-CE2 4.22Å; L198-Y259 HydrophobicContact CG-CE2 4.25Å; L198-Y259 PolarHBondContact N-OH 3.4Å; L198-Y259 VanDerWaalsContact N-OH 3.15Å; W199-Y259 HydrophobicContact CB-CD2 4.22Å; W199-Y259 HydrophobicContact CB-CE2 3.88Å; W199-Y259 AromaticContact CD1-CE1 3.87Å; W199-Y259 AromaticContact CD1-CZ 3.74Å; A255-Y259 HydrophobicContact CB-CE2 4.36Å; A255-Y259 WeakPolarHBondContact O-CD2 3.49Å; A255-Y259 VanDerWaalsContact O-CG 3.26Å; A255-Y259 PolarHBondContact O-N 2.94Å; L256-Y259 HydrophobicContact CD2-CD2 4.44Å; L256-Y259 WeakPolarHBondContact O-CB 3.21Å; L256-Y259 PolarHBondContact O-N 2.86Å; R257-Y259 VanDerWaalsContact C-N 3.31Å; R257-Y259 PolarHBondContact O-N 3.37Å; Y259-G263 PolarHBondContact O-N 3.04Å; Y259-I264 HydrophobicContact CD1-CD1 4.01Å; Y259-I264 HydrophobicContact CE1-CD1 4.43Å; Y259-I264 PolarHBondContact O-N 3.48Å; Y259-L265 HydrophobicContact CD2-CD1 3.86Å; Y259-L265 HydrophobicContact CG-CD1 4.35Å; Y259-L265 PolarHBondContact O-N 3.42Å; Y259-L265 VanDerWaalsContact O-N 3.1Å |
| 260 | Y | 95.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 68.2 Ų | 68.2 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.8 | -50.3 | 170.5 | -46.4 | -26.6 | 0 | 0 | 0 | 111.1 | L256 R257 Y258 R262 G263 L265 K267 Y275 | L256-Y260 VanDerWaalsContact O-CD1 3.29Å; L256-Y260 WeakPolarHBondContact O-CD1 3.4Å; L256-Y260 VanDerWaalsContact O-CE1 3.24Å; L256-Y260 WeakPolarHBondContact O-CE1 3.47Å; L256-Y260 PolarHBondContact O-N 3.49Å; R257-Y260 HydrophobicContact CB-CE2 4.31Å; R257-Y260 HydrophobicContact CG-CE2 3.98Å; R257-Y260 PolarHBondContact O-N 3Å; Y258-Y260 VanDerWaalsContact C-N 3.3Å; Y258-Y260 PolarHBondContact O-N 2.84Å; Y260-R262 VanDerWaalsContact C-N 3.31Å; Y260-R262 PolarHBondContact O-N 3.24Å; Y260-G263 PolarHBondContact O-N 3.01Å; Y260-L265 WeakPolarHBondContact CA-O 3.49Å; Y260-L265 HydrophobicContact CD1-CB 4.11Å; Y260-L265 HydrophobicContact CE1-CB 4.38Å; Y260-K267 HydrophobicContact CD2-CB 4.38Å; Y260-K267 HydrophobicContact CE1-CB 4.19Å; Y260-K267 HydrophobicContact CE2-CB 4.03Å; Y260-Y275 HydrophobicContact CE1-CD1 4.06Å; Y260-Y275 HydrophobicContact CE1-CE1 4.43Å; Y260-Y275 WeakPolarHBondContact OH-CE1 3.31Å |
| 261 | Q | 94.6 | Very high | 95.6 | Very high | 164 Ų | 164 | 69.2 Ų | 69.2 | 77% | 0.766 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.1 | -36.8 | 178.9 | -67.7 | 177.1 | -28.9 | 0 | 0 | 111.9 | Y258 G263 | Y258-Q261 PolarHBondContact O-N 3.28Å; Q261-G263 PolarHBondContact O-N 3.22Å |
| 262 | R | 94.5 | Very high | 95.6 | Very high | 159 Ų | 159 | 76.5 Ų | 76.5 | 60% | 0.6 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -3.8 | 174.2 | -70.6 | -172.9 | 64.5 | -160.3 | -4.9 | 114.4 | Y258 Y260 I264 | Y258-R262 WeakPolarHBondContact O-CB 3.38Å; Y258-R262 WeakPolarHBondContact O-CG 3.39Å; Y258-R262 PolarHBondContact O-N 2.78Å; Y260-R262 VanDerWaalsContact C-N 3.31Å; Y260-R262 PolarHBondContact O-N 3.24Å; R262-I264 HydrophobicContact CB-CD1 4.21Å; R262-I264 HydrophobicContact CB-CG1 4.29Å; R262-I264 PolarHBondContact O-N 3.05Å |
| 263 | G | 94.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 78.4 Ų | 78.4 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 21.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y259 Y260 Q261 K278 | Y259-G263 PolarHBondContact O-N 3.04Å; Y260-G263 PolarHBondContact O-N 3.01Å; Q261-G263 PolarHBondContact O-N 3.22Å; G263-K278 VanDerWaalsContact O-CB 3.3Å; G263-K278 WeakPolarHBondContact O-CB 3.41Å; G263-K278 WeakPolarHBondContact O-CD 3.35Å |
| 264 | I | 94.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 78.4 Ų | 78.4 | 19% | 0.19 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -86.4 | -40.9 | 175.5 | -63.7 | 170.5 | 0 | 0 | 0 | 109.8 | W199 Y259 R262 K278 | W199-I264 HydrophobicContact CB-CG2 4.2Å; W199-I264 HydrophobicContact CD2-CG2 4.26Å; W199-I264 HydrophobicContact CG-CG2 4.01Å; Y259-I264 HydrophobicContact CD1-CD1 4.01Å; Y259-I264 HydrophobicContact CE1-CD1 4.43Å; Y259-I264 PolarHBondContact O-N 3.48Å; R262-I264 HydrophobicContact CB-CD1 4.21Å; R262-I264 HydrophobicContact CB-CG1 4.29Å; R262-I264 PolarHBondContact O-N 3.05Å; I264-K278 PolarHBondContact O-N 3.29Å |
| 265 | L | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 162.7 | 173.2 | -68.8 | 174 | 0 | 0 | 0 | 110.4 | F226 L256 Y259 Y260 Q276 F277 | F226-L265 HydrophobicContact CE1-CD2 3.72Å; F226-L265 HydrophobicContact CZ-CD2 3.9Å; L256-L265 HydrophobicContact CD2-CD1 3.71Å; Y259-L265 HydrophobicContact CD2-CD1 3.86Å; Y259-L265 HydrophobicContact CG-CD1 4.35Å; Y259-L265 PolarHBondContact O-N 3.42Å; Y259-L265 VanDerWaalsContact O-N 3.1Å; Y260-L265 WeakPolarHBondContact CA-O 3.49Å; Y260-L265 HydrophobicContact CD1-CB 4.11Å; Y260-L265 HydrophobicContact CE1-CB 4.38Å; L265-Q276 CarbonylContact C-O 3.6Å; L265-Q276 WeakPolarHBondContact CA-O 3.37Å; L265-Q276 WeakPolarHBondContact CD2-O 3.33Å; L265-F277 HydrophobicContact CD2-CD1 3.58Å; L265-F277 HydrophobicContact CD2-CD2 4.47Å; L265-F277 HydrophobicContact CD2-CE1 3.8Å; L265-F277 HydrophobicContact CD2-CG 3.94Å; L265-F277 HydrophobicContact CD2-CZ 4.34Å |
| 266 | A | 96.3 | Very high | 95.6 | Very high | 23 Ų | 23 | 74 Ų | 74 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.5 | 159 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y275 Q276 K278 | A266-Y275 WeakPolarHBondContact O-CA 3.16Å; A266-Q276 HydrophobicContact CB-CB 4.38Å; A266-Q276 PolarHBondContact N-O 3.44Å; A266-Q276 PolarHBondContact O-N 3.4Å; A266-K278 HydrophobicContact CB-CG 4.3Å |
| 267 | K | 95.3 | Very high | 95.5 | Very high | 98 Ų | 98 | 74.3 Ų | 74.3 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 131.3 | 164.4 | 164.9 | 171.7 | 166 | -91.5 | 0 | 107.5 | Y260 E269 | Y260-K267 HydrophobicContact CD2-CB 4.38Å; Y260-K267 HydrophobicContact CE1-CB 4.19Å; Y260-K267 HydrophobicContact CE2-CB 4.03Å; K267-E269 IonicContact NZ-OE1 3.34Å; K267-E269 PolarHBondContact NZ-OE1 3.49Å; K267-E269 IonicContact NZ-OE2 2.63Å; K267-E269 PolarHBondContact NZ-OE2 3.34Å |
| 268 | V | 95.9 | Very high | 95.3 | Very high | 27 Ų | 27 | 75.3 Ų | 75.3 | 16% | 0.164 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -79 | 121.2 | 167 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | I225 Q271 V274 Q276 | I225-V268 HydrophobicContact CG2-CG2 3.96Å; V268-Q271 HydrophobicContact CG1-CB 4.13Å; V268-Q271 HydrophobicContact CG1-CG 4.23Å; V268-V274 HydrophobicContact CB-CB 4.2Å; V268-V274 HydrophobicContact CB-CG1 3.95Å; V268-V274 HydrophobicContact CG1-CG1 4.33Å; V268-V274 HydrophobicContact CG2-CG1 3.81Å; V268-V274 PolarHBondContact N-O 3.44Å; V268-Q276 HydrophobicContact CG2-CB 4.33Å |
| 269 | E | 94.1 | Very high | 94.8 | Very high | 137 Ų | 137 | 74.2 Ų | 74.2 | 64% | 0.64 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -63.9 | 152.3 | 175.7 | -65.9 | -56.3 | 120.9 | 0 | 0 | 111 | K267 Q271 | K267-E269 IonicContact NZ-OE1 3.34Å; K267-E269 PolarHBondContact NZ-OE1 3.49Å; K267-E269 IonicContact NZ-OE2 2.63Å; K267-E269 PolarHBondContact NZ-OE2 3.34Å; E269-Q271 PolarHBondContact O-N 3.06Å |
| 270 | G | 93.8 | Very high | 94.1 | Very high | 84 Ų | 84 | 76.2 Ų | 76.2 | 87% | 0.866 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 69.8 | -30.2 | -176 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 271 | Q | 94.9 | Very high | 93.1 | Very high | 109 Ų | 109 | 74.3 Ų | 74.3 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | trans | -101.8 | 118 | -172.4 | -61.7 | -164.1 | 42.2 | 0 | 0 | 113.8 | V268 E269 V274 | V268-Q271 HydrophobicContact CG1-CB 4.13Å; V268-Q271 HydrophobicContact CG1-CG 4.23Å; E269-Q271 PolarHBondContact O-N 3.06Å; Q271-V274 HydrophobicContact CB-CB 3.78Å; Q271-V274 HydrophobicContact CB-CG1 4.48Å; Q271-V274 HydrophobicContact CB-CG2 3.71Å | ||
| 272 | R | 95.6 | Very high | 91.7 | Very high | 228 Ų | 228 | 76.1 Ų | 76.1 | 86% | 0.86 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 137.3 | 174.5 | -64 | -173.9 | -178.9 | -163.1 | 1.3 | 111.2 | V274 | R272-V274 PolarHBondContact O-N 3.02Š|
| 273 | L | 96.1 | Very high | 90.1 | Very high | 43 Ų | 43 | 72.9 Ų | 72.9 | 23% | 0.225 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 17.6 | 179.3 | -54.9 | 178.5 | 0 | 0 | 0 | 115.3 | K227 L228 Y249 | K227-L273 WeakPolarHBondContact CA-O 3.28Å; L228-L273 HydrophobicContact CB-CB 4.17Å; L228-L273 PolarHBondContact N-O 3.01Å; L228-L273 WeakPolarHBondContact O-CB 3.04Å; Y249-L273 HydrophobicContact CE1-CD2 4.22Å; Y249-L273 HydrophobicContact CE2-CD2 3.72Å; Y249-L273 WeakPolarHBondContact OH-CD2 3.22Å |
| 274 | V | 96.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | I225 F226 K227 V268 Q271 R272 | I225-V274 HydrophobicContact CG2-CG1 3.58Å; F226-V274 WeakPolarHBondContact O-CA 3.4Å; F226-V274 WeakPolarHBondContact O-CG1 3.4Å; K227-V274 HydrophobicContact CB-CG2 3.96Å; K227-V274 HydrophobicContact CD-CG2 3.8Å; K227-V274 HydrophobicContact CG-CG2 3.77Å; V268-V274 HydrophobicContact CB-CB 4.2Å; V268-V274 HydrophobicContact CB-CG1 3.95Å; V268-V274 HydrophobicContact CG1-CG1 4.33Å; V268-V274 HydrophobicContact CG2-CG1 3.81Å; V268-V274 PolarHBondContact N-O 3.44Å; Q271-V274 HydrophobicContact CB-CB 3.78Å; Q271-V274 HydrophobicContact CB-CG1 4.48Å; Q271-V274 HydrophobicContact CB-CG2 3.71Å; R272-V274 PolarHBondContact O-N 3.02Å |
| 275 | Y | 96.7 | Very high | 87.4 | Confident | 9 Ų | 9 | 75.7 Ų | 75.7 | 4% | 0.035 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 158.8 | -176.2 | -49.4 | -68 | 0 | 0 | 0 | 110.1 | I225 F226 L228 Y249 L256 Y260 A266 | I225-Y275 WeakPolarHBondContact CA-O 3.38Å; I225-Y275 WeakPolarHBondContact CG2-O 3.46Å; F226-Y275 WeakPolarHBondContact CD1-O 3.37Å; F226-Y275 AromaticContact CE2-CD2 3.86Å; F226-Y275 HydrophobicContact CE2-CD2 3.86Å; F226-Y275 HydrophobicContact CE2-CG 4.43Å; F226-Y275 HydrophobicContact CZ-CD2 4.22Å; F226-Y275 HydrophobicContact CZ-CG 4.37Å; F226-Y275 PolarHBondContact N-O 3.16Å; F226-Y275 PolarHBondContact O-N 3.38Å; L228-Y275 HydrophobicContact CD1-CD2 3.96Å; L228-Y275 HydrophobicContact CD1-CE2 3.94Å; Y249-Y275 PolarHBondContact OH-OH 3.28Å; L256-Y275 HydrophobicContact CD1-CE2 3.92Å; Y260-Y275 HydrophobicContact CE1-CD1 4.06Å; Y260-Y275 HydrophobicContact CE1-CE1 4.43Å; Y260-Y275 WeakPolarHBondContact OH-CE1 3.31Å; A266-Y275 WeakPolarHBondContact O-CA 3.16Å |
| 276 | Q | 96 | Very high | 85.5 | Confident | 65 Ų | 65 | 81 Ų | 81 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.6 | 178.6 | -178.9 | 174.2 | 24.7 | 0 | 0 | 109.9 | K223 G224 I225 L265 A266 V268 | K223-Q276 WeakPolarHBondContact O-CG 3.37Å; K223-Q276 PolarHBondContact O-NE2 2.94Å; G224-Q276 WeakPolarHBondContact O-CA 3.36Å; I225-Q276 HydrophobicContact CG1-CB 4.08Å; I225-Q276 HydrophobicContact CG1-CG 3.83Å; L265-Q276 CarbonylContact C-O 3.6Å; L265-Q276 WeakPolarHBondContact CA-O 3.37Å; L265-Q276 WeakPolarHBondContact CD2-O 3.33Å; A266-Q276 HydrophobicContact CB-CB 4.38Å; A266-Q276 PolarHBondContact N-O 3.44Å; A266-Q276 PolarHBondContact O-N 3.4Å; V268-Q276 HydrophobicContact CG2-CB 4.33Å |
| 277 | F | 95.4 | Very high | 83.8 | Confident | 7 Ų | 7 | 81.1 Ų | 81.1 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 127 | 164.7 | -71.6 | -79.4 | 0 | 0 | 0 | 109.6 | W199 L203 L206 W218 G224 F226 L265 M280 | W199-F277 HydrophobicContact CB-CE1 4.39Å; W199-F277 HydrophobicContact CE3-CE1 4.38Å; L203-F277 HydrophobicContact CB-CZ 4.3Å; L203-F277 HydrophobicContact CD1-CE2 4.21Å; L203-F277 HydrophobicContact CD1-CZ 4.21Å; L206-F277 HydrophobicContact CD1-CE2 4.17Å; W218-F277 AromaticContact CH2-CD2 3.91Å; W218-F277 HydrophobicContact CH2-CD2 3.91Å; W218-F277 AromaticContact CH2-CE2 3.82Å; W218-F277 HydrophobicContact CH2-CE2 3.82Å; W218-F277 HydrophobicContact CZ3-CD2 4.03Å; W218-F277 HydrophobicContact CZ3-CE2 4.21Å; G224-F277 PolarHBondContact O-N 3.16Å; F226-F277 AromaticContact CD1-CD2 3.69Å; F226-F277 HydrophobicContact CD1-CD2 3.69Å; F226-F277 AromaticContact CD1-CE2 3.52Å; F226-F277 HydrophobicContact CD1-CE2 3.52Å; F226-F277 HydrophobicContact CD1-CZ 4.47Å; F226-F277 AromaticContact CE1-CD2 3.49Å; F226-F277 HydrophobicContact CE1-CD2 3.49Å; F226-F277 VanDerWaalsContact CE1-CD2 3.49Å; F226-F277 AromaticContact CE1-CE2 3.23Å; F226-F277 HydrophobicContact CE1-CE2 3.23Å; F226-F277 HydrophobicContact CE1-CG 4.24Å; F226-F277 AromaticContact CE1-CZ 3.81Å; F226-F277 HydrophobicContact CE1-CZ 3.81Å; F226-F277 HydrophobicContact CZ-CE2 4.04Å; F226-F277 HydrophobicContact CZ-CZ 4.22Å; L265-F277 HydrophobicContact CD2-CD1 3.58Å; L265-F277 HydrophobicContact CD2-CD2 4.47Å; L265-F277 HydrophobicContact CD2-CE1 3.8Å; L265-F277 HydrophobicContact CD2-CG 3.94Å; L265-F277 HydrophobicContact CD2-CZ 4.34Å; F277-M280 HydrophobicContact CB-SD 4.42Å |
| 278 | K | 90.9 | Very high | 81.7 | Confident | 134 Ų | 134 | 81.9 Ų | 81.9 | 58% | 0.583 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -75 | -35.5 | -179.2 | -71.2 | -150.5 | -173.9 | -176.4 | 0 | 113.1 | G263 I264 A266 | G263-K278 VanDerWaalsContact O-CB 3.3Å; G263-K278 WeakPolarHBondContact O-CB 3.41Å; G263-K278 WeakPolarHBondContact O-CD 3.35Å; I264-K278 PolarHBondContact O-N 3.29Å; A266-K278 HydrophobicContact CB-CG 4.3Å |
| 279 | D | 87.3 | Confident | 79.8 | Confident | 127 Ų | 127 | 86.5 Ų | 86.5 | 68% | 0.679 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -117.7 | 133.2 | 166.6 | -179.6 | 22.5 | 0 | 0 | 0 | 106.6 | P281 | D279-P281 WeakPolarHBondContact O-CD 3.24Š|
| 280 | M | 82.2 | Confident | 77.8 | Confident | 57 Ų | 57 | 86.9 Ų | 86.9 | 28% | 0.281 | 45% | 0.451 | S | S | . | . | trans | -92.6 | 114.2 | -170.5 | -173.5 | 54.9 | 150.7 | 0 | 0 | 109.9 | W218 R221 F277 K282 I284 | W218-M280 HydrophobicContact CE3-CE 4.48Å; W218-M280 HydrophobicContact CH2-CE 3.7Å; W218-M280 HydrophobicContact CH2-SD 4.22Å; W218-M280 HydrophobicContact CZ2-CE 4.35Å; W218-M280 HydrophobicContact CZ3-CE 3.79Å; W218-M280 HydrophobicContact CZ3-SD 4.47Å; R221-M280 WeakPolarHBondContact O-CE 3.47Å; F277-M280 HydrophobicContact CB-SD 4.42Å; M280-K282 PolarHBondContact O-N 3.01Å; M280-K282 VanDerWaalsContact O-N 3.16Å; M280-I284 HydrophobicContact CE-CD1 3.27Å; M280-I284 HydrophobicContact CG-CD1 4.2Å; M280-I284 HydrophobicContact SD-CD1 3.54Å; M280-I284 VanDerWaalsContact SD-CD1 3.54Å | ||
| 281 | P | 74.4 | Confident | 75.5 | Confident | 20 Ų | 20 | 90.1 Ų | 90.1 | 13% | 0.13 | 44% | 0.441 | C | S | . | . | trans | -62.1 | 121.3 | -172.1 | -25.6 | 37 | 0 | 0 | 0 | 112.2 | W199 L203 D279 N283 I284 | W199-P281 HydrophobicContact CZ3-CG 4.22Å; L203-P281 HydrophobicContact CD1-CB 4.3Å; L203-P281 HydrophobicContact CD1-CG 4.02Å; L203-P281 HydrophobicContact CD2-CB 3.56Å; L203-P281 HydrophobicContact CD2-CG 3.81Å; D279-P281 WeakPolarHBondContact O-CD 3.24Å; P281-N283 WeakPolarHBondContact CB-OD1 3.4Å; P281-N283 PolarHBondContact O-N 3.15Å; P281-I284 WeakPolarHBondContact O-CG1 3.47Å; P281-I284 PolarHBondContact O-N 3.21Å | ||
| 282 | K | 63.5 | Low | 72.9 | Confident | 202 Ų | 202 | 90.1 Ų | 90.1 | 88% | 0.878 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -2.5 | -171.9 | -58 | -178.3 | -177.7 | -179.1 | 0 | 114.8 | M280 | M280-K282 PolarHBondContact O-N 3.01Å; M280-K282 VanDerWaalsContact O-N 3.16Å |
| 283 | N | 61.2 | Low | 70.2 | Confident | 91 Ų | 91 | 86 Ų | 86 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.7 | -179.1 | 67.5 | -90.4 | 0 | 0 | 0 | 114.1 | Q207 P281 V285 | Q207-N283 PolarHBondContact OE1-O 3.22Å; P281-N283 WeakPolarHBondContact CB-OD1 3.4Å; P281-N283 PolarHBondContact O-N 3.15Å; N283-V285 PolarHBondContact O-N 3.33Å; N283-V285 VanDerWaalsContact O-N 3.13Å |
| 284 | I | 68.4 | Low | 67.2 | Low | 32 Ų | 32 | 90 Ų | 90 | 16% | 0.164 | 47% | 0.47 | C | S | . | . | trans | -65 | 113.5 | 176.2 | -69.2 | 166.5 | 0 | 0 | 0 | 108.9 | L203 W218 M280 P281 V286 | L203-I284 HydrophobicContact CD1-CD1 3.77Å; L203-I284 HydrophobicContact CD1-CG1 3.74Å; L203-I284 HydrophobicContact CG-CG1 4.45Å; W218-I284 HydrophobicContact CH2-CD1 4.02Å; W218-I284 HydrophobicContact CZ2-CD1 3.91Å; M280-I284 HydrophobicContact CE-CD1 3.27Å; M280-I284 HydrophobicContact CG-CD1 4.2Å; M280-I284 HydrophobicContact SD-CD1 3.54Å; M280-I284 VanDerWaalsContact SD-CD1 3.54Å; P281-I284 WeakPolarHBondContact O-CG1 3.47Å; P281-I284 PolarHBondContact O-N 3.21Å; I284-V286 PolarHBondContact O-N 3.45Å | ||
| 285 | V | 64.4 | Low | 64.3 | Low | 94 Ų | 94 | 96.3 Ų | 96.3 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | trans | -62.5 | 119.5 | 168.2 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | N283 I287 | N283-V285 PolarHBondContact O-N 3.33Å; N283-V285 VanDerWaalsContact O-N 3.13Å; V285-I287 HydrophobicContact CG1-CG1 4.26Å; V285-I287 PolarHBondContact O-N 3.46Å | ||
| 286 | V | 57.2 | Low | 61.4 | Low | 113 Ų | 113 | 100.9 Ų | 100.9 | 69% | 0.685 | 55% | 0.546 | S | S | * | . | trans | -67 | 103 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | I284 | I284-V286 PolarHBondContact O-N 3.45Š| ||
| 287 | I | 59.3 | Low | 59 | Low | 25 Ų | 25 | 107 Ų | 107 | 13% | 0.128 | 58% | 0.575 | C | S | . | * | trans | -96.2 | 100.5 | 173.2 | -75.7 | 165 | 0 | 0 | 0 | 106.2 | Q207 K209 R221 V285 D289 | Q207-I287 WeakPolarHBondContact O-CD1 3.3Å; K209-I287 HydrophobicContact CD-CG2 3.87Å; K209-I287 HydrophobicContact CG-CD1 3.84Å; K209-I287 HydrophobicContact CG-CG1 4.43Å; K209-I287 HydrophobicContact CG-CG2 3.93Å; R221-I287 VanDerWaalsContact CZ-O 3.25Å; R221-I287 PolarHBondContact NH1-O 3.23Å; R221-I287 PolarHBondContact NH2-O 3.11Å; V285-I287 HydrophobicContact CG1-CG1 4.26Å; V285-I287 PolarHBondContact O-N 3.46Å; I287-D289 PolarHBondContact O-N 3.34Å | ||
| 288 | D | 51.2 | Low | 56.3 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | trans | -59.9 | 133.8 | 161.6 | -96.3 | -123.2 | 0 | 0 | 0 | 109.1 | D290 | D288-D290 VanDerWaalsContact C-N 3.35Š| ||
| 289 | D | 56.4 | Low | 53.9 | Low | 125 Ų | 125 | 108.9 Ų | 108.9 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | trans | -97 | 4.3 | 177.2 | -122.8 | -127.9 | 0 | 0 | 0 | 110.9 | I287 K291 | I287-D289 PolarHBondContact O-N 3.34Å; D289-K291 PolarHBondContact O-N 3.38Å | ||
| 290 | D | 51.6 | Low | 51.8 | Low | 144 Ų | 144 | 105.8 Ų | 105.8 | 77% | 0.77 | 58% | 0.583 | S | S | * | * | trans | -78.3 | 66.1 | -174.4 | -147.2 | -73.9 | 0 | 0 | 0 | 112.1 | D288 | D288-D290 VanDerWaalsContact C-N 3.35Š| ||
| 291 | K | 45.7 | Very low | 49.8 | Very low | 153 Ų | 153 | 107 Ų | 107 | 67% | 0.665 | 60% | 0.602 | S | S | * | * | trans | 179.5 | 83.9 | 144.1 | -100.6 | -162.3 | 176.4 | -147.5 | 0 | 109.6 | D289 E293 | D289-K291 PolarHBondContact O-N 3.38Å; K291-E293 HydrophobicContact CB-CG 4.49Å; K291-E293 HydrophobicContact CD-CG 4.05Å; K291-E293 VanDerWaalsContact CE-OE1 3.3Å; K291-E293 WeakPolarHBondContact CE-OE1 3.32Å; K291-E293 HydrophobicContact CG-CG 4.01Å; K291-E293 IonicContact NZ-OE1 2.64Å; K291-E293 PolarHBondContact NZ-OE1 3.04Å; K291-E293 IonicContact NZ-OE2 2.78Å; K291-E293 PolarHBondContact NZ-OE2 3Å; K291-E293 VanDerWaalsContact NZ-OE2 3.16Å | ||
| 292 | S | 41.7 | Very low | 48.2 | Very low | 108 Ų | 108 | 110.3 Ų | 110.3 | 76% | 0.755 | 63% | 0.631 | S | S | * | * | trans | -107.1 | 79.8 | 149.4 | 44.7 | 0 | 0 | 0 | 0 | 108.1 | T294 | S292-T294 PolarHBondContact O-N 3.18Š| ||
| 293 | E | 38.3 | Very low | 47.1 | Very low | 141 Ų | 141 | 105.5 Ų | 105.5 | 66% | 0.659 | 63% | 0.629 | S | S | * | * | trans | -61 | 128.4 | -177.8 | -64.8 | -179.4 | 116.1 | 0 | 0 | 110.3 | K291 C295 | K291-E293 HydrophobicContact CB-CG 4.49Å; K291-E293 HydrophobicContact CD-CG 4.05Å; K291-E293 VanDerWaalsContact CE-OE1 3.3Å; K291-E293 WeakPolarHBondContact CE-OE1 3.32Å; K291-E293 HydrophobicContact CG-CG 4.01Å; K291-E293 IonicContact NZ-OE1 2.64Å; K291-E293 PolarHBondContact NZ-OE1 3.04Å; K291-E293 IonicContact NZ-OE2 2.78Å; K291-E293 PolarHBondContact NZ-OE2 3Å; K291-E293 VanDerWaalsContact NZ-OE2 3.16Å; E293-C295 PolarHBondContact O-N 2.92Å | ||
| 294 | T | 33.7 | Very low | 46.1 | Very low | 129 Ų | 129 | 108.1 Ų | 108.1 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | trans | -65.3 | 103 | 177.1 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | S292 S296 | S292-T294 PolarHBondContact O-N 3.18Å; T294-S296 VanDerWaalsContact C-N 3.26Å; T294-S296 PolarHBondContact O-N 3.33Å | ||
| 295 | C | 35.3 | Very low | 44.8 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 91% | 0.905 | 66% | 0.662 | S | S | * | * | trans | -73.8 | 82.2 | 175.3 | -162.2 | 0 | 0 | 0 | 0 | 110 | E293 | E293-C295 PolarHBondContact O-N 2.92Š| ||
| 296 | S | 36.1 | Very low | 43.6 | Very low | 105 Ų | 105 | 115.7 Ų | 115.7 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | -107 | 119.1 | 171.5 | -62.1 | 0 | 0 | 0 | 0 | 108.4 | T294 | T294-S296 VanDerWaalsContact C-N 3.26Å; T294-S296 PolarHBondContact O-N 3.33Å | ||
| 297 | E | 44.6 | Very low | 42.7 | Very low | 194 Ų | 194 | 115.5 Ų | 115.5 | 91% | 0.907 | 67% | 0.673 | S | S | * | * | trans | -80.1 | 136.6 | -175.8 | -157.7 | 162.6 | 86.5 | 0 | 0 | 110.4 | ||||
| 298 | D | 39.7 | Very low | 41.5 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 51% | 0.508 | 71% | 0.709 | S | S | . | * | trans | -84.9 | -164 | -177.9 | -167 | -97.5 | 0 | 0 | 0 | 112.2 | A322 | D298-A322 PolarHBondContact OD2-N 2.99Š| ||
| 299 | L | 40.6 | Very low | 40.5 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 45% | 0.445 | 71% | 0.712 | S | S | . | * | trans | 99.7 | 46.7 | 160.1 | -47.4 | 177.1 | 0 | 0 | 0 | 119.4 | S324 | L299-S324 PolarHBondContact O-OG 3.3Š| ||
| 300 | A | 41.5 | Very low | 39.5 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 51% | 0.512 | 72% | 0.716 | S | S | . | * | trans | -97.3 | -158.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A322 S324 | A300-A322 VanDerWaalsContact C-CB 3.48Å; A300-A322 HydrophobicContact CB-CB 4Å; A300-A322 WeakPolarHBondContact O-CB 3.38Å; A300-S324 VanDerWaalsContact O-CB 3.25Å; A300-S324 WeakPolarHBondContact O-CB 3.06Å; A300-S324 PolarHBondContact O-OG 3.24Å | ||
| 301 | A | 41.4 | Very low | 38.5 | Very low | 82 Ų | 82 | 126.8 Ų | 126.8 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | -174.6 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 302 | A | 40.8 | Very low | 37.8 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | cis | -175.4 | 165.1 | -33.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 303 | A | 39.9 | Very low | 37.2 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | 69.5 | 157.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 304 | D | 40.6 | Very low | 36.7 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | cis | -151.1 | 158 | 5.5 | -161.8 | -150.7 | 0 | 0 | 0 | 115.5 | ||||
| 305 | E | 41.1 | Very low | 36.6 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 56% | 0.556 | 73% | 0.734 | S | S | * | * | trans | 49.3 | 139.8 | 154.8 | -85.5 | -80.7 | 54.4 | 0 | 0 | 128 | ||||
| 306 | K | 39.3 | Very low | 36.3 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | 54.7 | 144.2 | 154.3 | -88.4 | 148.6 | -172.7 | 151.4 | 0 | 122.1 | ||||
| 307 | S | 37 | Very low | 35.9 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | cis | -140.9 | 173.2 | 11.1 | -82.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 308 | L | 35.9 | Very low | 35.2 | Very low | 168 Ų | 168 | 124.5 Ų | 124.5 | 88% | 0.88 | 72% | 0.723 | S | S | * | * | trans | -86.8 | 154.2 | -177 | -49 | 89.4 | 0 | 0 | 0 | 113.8 | ||||
| 309 | E | 30.3 | Very low | 34.9 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | -175 | 121.1 | 104 | -166 | 166.8 | 113.2 | 0 | 0 | 116 | |||||
| 310 | R | 35.3 | Very low | 34.4 | Very low | 199 Ų | 199 | 132.6 Ų | 132.6 | 75% | 0.751 | 76% | 0.757 | S | S | * | * | trans | 58.8 | 128.5 | 150.2 | -69.4 | 168.3 | -169.3 | 130.3 | 15 | 124.5 | ||||
| 311 | V | 30 | Very low | 33.7 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 85.5 | 97 | 142.5 | 176 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 312 | S | 30.4 | Very low | 33.1 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | 18.4 | 138.2 | 122.2 | -62.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 313 | L | 28.6 | Very low | 32.5 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 88% | 0.88 | 74% | 0.735 | S | S | * | * | cis | -161.1 | 137.5 | 5.3 | -100.6 | 164.6 | 0 | 0 | 0 | 109 | ||||
| 314 | S | 28.9 | Very low | 31.8 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 90% | 0.895 | 71% | 0.712 | S | S | * | * | trans | -166.5 | 177.4 | 146.6 | -158.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 315 | A | 31.7 | Very low | 31.4 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -108 | 176.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 316 | E | 29.1 | Very low | 31.1 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | trans | 94.3 | 141.6 | 163.9 | -58.1 | -154.1 | 73.5 | 0 | 0 | 120.7 | ||||
| 317 | S | 28 | Very low | 30.6 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 76 | 119.7 | 163.2 | -95.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 318 | L | 30.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | 79.1 | 118 | 134.8 | -71.2 | 167 | 0 | 0 | 0 | 121.7 | ||||
| 319 | L | 32.7 | Very low | 30.2 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | trans | 72.5 | 116.2 | 145.5 | -56 | 173.6 | 0 | 0 | 0 | 119.2 | ||||
| 320 | K | 29.7 | Very low | 30.2 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | -118.9 | 148.9 | 157.1 | 174.3 | 174.3 | 176.6 | 177.7 | 0 | 108.2 | A322 | K320-A322 WeakPolarHBondContact CE-O 3.46Š| ||
| 321 | A | 27.3 | Very low | 29.9 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | trans | -133.1 | 144.7 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 322 | A | 28.4 | Very low | 29.7 | Very low | 15 Ų | 15 | 122 Ų | 122 | 12% | 0.124 | 72% | 0.722 | C | S | . | * | trans | 74.9 | 161.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | D298 A300 K320 | D298-A322 PolarHBondContact OD2-N 2.99Å; A300-A322 VanDerWaalsContact C-CB 3.48Å; A300-A322 HydrophobicContact CB-CB 4Å; A300-A322 WeakPolarHBondContact O-CB 3.38Å; K320-A322 WeakPolarHBondContact CE-O 3.46Å | ||
| 323 | T | 27.4 | Very low | 29.7 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | cis | -143.6 | 157.3 | 22 | 44.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 324 | S | 25.9 | Very low | 29.6 | Very low | 53 Ų | 53 | 121.9 Ų | 121.9 | 37% | 0.371 | 72% | 0.718 | S | S | . | * | cis | -165.2 | 177.8 | -17.4 | -161.9 | 0 | 0 | 0 | 0 | 110.1 | L299 A300 | L299-S324 PolarHBondContact O-OG 3.3Å; A300-S324 VanDerWaalsContact O-CB 3.25Å; A300-S324 WeakPolarHBondContact O-CB 3.06Å; A300-S324 PolarHBondContact O-OG 3.24Å | ||
| 325 | V | 33.1 | Very low | 29.5 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 67% | 0.673 | 71% | 0.714 | S | S | * | * | trans | 76.5 | 129.3 | 164.4 | 170.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 326 | R | 34.7 | Very low | 29.4 | Very low | 240 Ų | 240 | 122.7 Ų | 122.7 | 91% | 0.906 | 72% | 0.717 | S | S | * | * | trans | -75.6 | 159.7 | 170.9 | -50.1 | 169.6 | -158.1 | -159.3 | 1.3 | 110.3 | ||||
| 327 | G | 28.5 | Very low | 29.5 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 81% | 0.814 | 72% | 0.719 | S | S | * | * | cis | 145.8 | 150 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 328 | G | 29.5 | Very low | 29.5 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | 136 | 110.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 329 | K | 34.3 | Very low | 29.5 | Very low | 205 Ų | 205 | 126.1 Ų | 126.1 | 89% | 0.891 | 72% | 0.722 | S | S | * | * | 64.1 | 128.4 | 73.2 | -68.6 | -179.9 | 178.1 | 175.9 | 0 | 111.4 | |||||
| 330 | N | 29.8 | Very low | 29.4 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | cis | -161.3 | 165.4 | 14.2 | 46.1 | 1.5 | 0 | 0 | 0 | 114.1 | ||||
| 331 | S | 30.4 | Very low | 29.3 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | 48.1 | 111.6 | 151.3 | 51.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 332 | S | 25 | Very low | 29.4 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | 89.1 | 95.7 | 72.5 | 179.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 333 | V | 30.9 | Very low | 29.4 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | -138.7 | 113.1 | 148.2 | -91.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 334 | N | 25.6 | Very low | 29.5 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 86.9 | 160.3 | 70.6 | -80.9 | -15.8 | 0 | 0 | 0 | 113.1 | |||||
| 335 | C | 27.8 | Very low | 29.6 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 69.8 | 112.2 | -177.6 | -57.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 336 | S | 30 | Very low | 29.5 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | 79.1 | 97.5 | 24.4 | 97.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 337 | R | 30.9 | Very low | 29.1 | Very low | 241 Ų | 241 | 133.9 Ų | 133.9 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -168 | 135.5 | 156.9 | -115.9 | 175.2 | 169.7 | 150.8 | -1 | 106.5 | ||||
| 338 | A | 28.6 | Very low | 29.4 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | 63.8 | 130 | 34.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 339 | E | 29.1 | Very low | 29.3 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | cis | -166.2 | -176 | -6.1 | -138.5 | -148.7 | 113.1 | 0 | 0 | 108.7 | ||||
| 340 | K | 31.4 | Very low | 29.1 | Very low | 199 Ų | 199 | 135 Ų | 135 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | 77.5 | 150.7 | -175 | -52.4 | 176.8 | 176.2 | 179.4 | 0 | 115.6 | ||||
| 341 | G | 27.8 | Very low | 30 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | cis | 134 | 153.9 | -10.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 342 | V | 28.6 | Very low | 29.9 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | 83.3 | 79.6 | 167.4 | -165.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 343 | A | 28.5 | Very low | 30.5 | Very low | 83 Ų | 83 | 136.5 Ų | 136.5 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | 65.6 | 152.7 | 112.5 | 0 | 0 | 0 | 0 | 0 | 125 | |||||
| 344 | R | 29.8 | Very low | 30.3 | Very low | 235 Ų | 235 | 137 Ų | 137 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | 76.5 | 161.5 | 167.2 | -53 | 169.1 | 178.8 | 150.3 | -2.2 | 114.2 | ||||
| 345 | V | 28.3 | Very low | 30.7 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -134.1 | 168 | 14.8 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 346 | V | 30.7 | Very low | 31 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -126.3 | 123.5 | 171.7 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 347 | N | 25.3 | Very low | 30.9 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 172.9 | 136 | 148.6 | -101 | 10.6 | 0 | 0 | 0 | 108.2 | ||||
| 348 | I | 35.5 | Very low | 31 | Very low | 135 Ų | 135 | 134 Ų | 134 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | 69.6 | 116.7 | 58.6 | -60 | 175.4 | 0 | 0 | 0 | 113.6 | |||||
| 349 | T | 26.7 | Very low | 31.1 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -163.9 | 146.2 | 141.5 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 350 | S | 31.2 | Very low | 31.7 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -93.7 | -162.8 | 177 | -48.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 351 | P | 48.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | cis | -121.4 | 173.6 | 45.8 | 12.5 | 14.5 | 0 | 0 | 0 | 112.9 | ||||
| 352 | A | 28.8 | Very low | 31.8 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | cis | 72.7 | 145.3 | 42.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 353 | H | 36.3 | Very low | 32.1 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -119.4 | -148.4 | 15 | -75.7 | -139.8 | 0 | 0 | 0 | 112.5 | ||||
| 354 | D | 27.1 | Very low | 32.1 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | cis | -155.6 | -137 | -0 | -151.6 | -105 | 0 | 0 | 0 | 115.2 | ||||
| 355 | A | 35.1 | Very low | 32.2 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | -121.4 | -178 | -158.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 356 | S | 32.7 | Very low | 32.3 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | cis | 178.5 | 136.9 | -33.7 | 175 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 357 | S | 28.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -164 | 96.3 | 163.4 | 63.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 358 | R | 32.3 | Very low | 32.9 | Very low | 231 Ų | 231 | 126.1 Ų | 126.1 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 29.7 | 124.1 | 139.2 | -135.3 | -168.4 | -174 | -171.1 | 0.6 | 124.5 | ||||
| 359 | S | 30.7 | Very low | 32.6 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | 66.7 | 157.5 | 138 | 56.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 360 | P | 42.3 | Very low | 33 | Very low | 127 Ų | 127 | 123 Ų | 123 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | cis | -126.4 | -163.8 | 15.6 | 43.7 | -27.9 | 0 | 0 | 0 | 116.5 | ||||
| 361 | T | 30.6 | Very low | 33.1 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -130.5 | 146.1 | -160.7 | -48.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 362 | T | 30.6 | Very low | 32.5 | Very low | 150 Ų | 150 | 123.1 Ų | 123.1 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | trans | -149.7 | 156 | 153.1 | 6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 363 | T | 34.9 | Very low | 33 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -126.7 | 135.3 | -165.7 | -43 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 364 | A | 27.8 | Very low | 32.9 | Very low | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -152.7 | 168.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 365 | S | 32.7 | Very low | 33.2 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -125.5 | -134.9 | -164.7 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 366 | V | 30 | Very low | 33.1 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | 67 | 154.1 | -174.8 | -79.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 367 | P | 35.1 | Very low | 33.2 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | trans | -118.5 | 170.3 | -137.6 | 42.9 | -34.6 | 0 | 0 | 0 | 116.8 | ||||
| 368 | A | 33 | Very low | 33.5 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 127.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 369 | A | 29.7 | Very low | 33.6 | Very low | 103 Ų | 103 | 133 Ų | 133 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 125.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 370 | A | 35.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 123.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 371 | A | 33.7 | Very low | 33.6 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 134 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 372 | P | 35.6 | Very low | 33.9 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 131.8 | -177.8 | 29.3 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 373 | R | 39.8 | Very low | 34.4 | Very low | 243 Ų | 243 | 136 Ų | 136 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 135.4 | 171.3 | -66.8 | 179.6 | 178.2 | 166.4 | -0.7 | 110.1 | ||
| 374 | T | 33.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 135.6 | 178.1 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 375 | V | 33.7 | Very low | 35 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -105.6 | 130.5 | 170.5 | 179 | 0 | 0 | 0 | 0 | 108 | ||||
| 376 | R | 33.2 | Very low | 35.7 | Very low | 236 Ų | 236 | 139.3 Ų | 139.3 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -106 | 124.1 | 174.6 | -66.5 | -171.9 | -178.9 | -165.4 | 0.7 | 110.1 | ||||
| 377 | V | 35.4 | Very low | 36.5 | Very low | 132 Ų | 132 | 139 Ų | 139 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | -97.4 | 134.7 | 167.4 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 378 | A | 33.3 | Very low | 37.2 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -84.8 | 112.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 379 | M | 34.4 | Very low | 38.1 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 134.1 | 168.4 | -74.9 | 170.5 | 58.6 | 0 | 0 | 110.2 | ||
| 380 | Q | 37.7 | Very low | 38.6 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 132.2 | 169.8 | -65.7 | 177.4 | -4.9 | 0 | 0 | 109.3 | ||
| 381 | V | 36.6 | Very low | 38.6 | Very low | 127 Ų | 127 | 147 Ų | 147 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 121.1 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 382 | P | 36.3 | Very low | 38.9 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 131.6 | 175.1 | 29.6 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 383 | V | 40.5 | Very low | 38.7 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 124.2 | 172.4 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 384 | V | 40.3 | Very low | 38.5 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 128.1 | 171.1 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | ||
| 385 | M | 34.7 | Very low | 38.6 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 131.1 | 169.3 | -55.9 | -156.5 | -48.3 | 0 | 0 | 109.9 | ||
| 386 | T | 48.3 | Very low | 38.6 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98 | 139.8 | 166.1 | 51.2 | 0 | 0 | 0 | 0 | 109.3 | L388 | T386-L388 PolarHBondContact O-N 2.99Š|
| 387 | S | 46.6 | Very low | 38.4 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 92% | 0.923 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -82 | 28.3 | -169.9 | 56.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 388 | L | 50.2 | Low | 38.1 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -151.6 | 76.9 | 179.7 | -165.2 | 64.8 | 0 | 0 | 0 | 114.2 | T386 Q390 | T386-L388 PolarHBondContact O-N 2.99Å; L388-Q390 VanDerWaalsContact C-N 3.28Å; L388-Q390 PolarHBondContact O-N 3.38Å |
| 389 | G | 51.7 | Low | 37.9 | Very low | 89 Ų | 89 | 140 Ų | 140 | 92% | 0.918 | 81% | 0.812 | S | S | * | * | trans | 63.9 | -13.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 390 | Q | 40.6 | Very low | 37.7 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 81% | 0.808 | S | S | * | * | trans | -100.5 | 114.5 | -171.2 | -67.8 | -168.5 | -6.2 | 0 | 0 | 113.3 | L388 | L388-Q390 VanDerWaalsContact C-N 3.28Å; L388-Q390 PolarHBondContact O-N 3.38Å | ||
| 391 | K | 35.4 | Very low | 37.3 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -79.6 | 121.4 | 172.7 | 63.4 | -168.7 | -175.7 | -64.4 | 0 | 110.6 | ||||
| 392 | I | 38.5 | Very low | 37.1 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -123.8 | 132.7 | 167.5 | -57.1 | -179.5 | 0 | 0 | 0 | 107.4 | ||||
| 393 | S | 32.5 | Very low | 36.7 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74 | 138.7 | -176.3 | -171 | 0 | 0 | 0 | 0 | 111.2 | ||
| 394 | T | 35.4 | Very low | 36.1 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 148.7 | 165.6 | -169.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 395 | V | 35.5 | Very low | 36.1 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 140.8 | -171.3 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 396 | A | 32.6 | Very low | 35.9 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 132.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 397 | V | 30.2 | Very low | 34.9 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -91.8 | 113.8 | 167.9 | -175.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 398 | Q | 27.9 | Very low | 34 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -69.9 | 138.9 | 172.2 | -69.2 | -172.8 | 26.6 | 0 | 0 | 110.4 | ||||
| 399 | S | 30 | Very low | 32.8 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -115.5 | 110.4 | 168.4 | -177 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 400 | V | 29.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | -97.6 | 145.2 | 170.9 | -67.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 401 | N | 29.9 | Very low | 31.2 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -153.2 | 108.1 | -175.9 | 174.9 | 93.1 | 0 | 0 | 0 | 111.9 | ||||
| 402 | A | 31.7 | Very low | 31.4 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 178 | 139.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 403 | G | 28.1 | Very low | 31 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | 79.4 | 69.6 | 126 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 404 | A | 29 | Very low | 31 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | 63 | 173.2 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 405 | P | 40.6 | Very low | 31 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | cis | -117.7 | -169.6 | -6.3 | 42.3 | -29 | 0 | 0 | 0 | 114.7 | ||||
| 406 | L | 30.5 | Very low | 31 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -68.5 | 155.6 | 179.3 | -91.1 | 60.4 | 0 | 0 | 0 | 114.1 | T408 | L406-T408 HydrophobicContact CD2-CG2 3.75Å; L406-T408 HydrophobicContact CG-CG2 4.23Å | ||
| 407 | I | 27.8 | Very low | 31.1 | Very low | 179 Ų | 179 | 125 Ų | 125 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | -129.2 | 126.6 | 123.2 | 47.4 | 172.3 | 0 | 0 | 0 | 110.2 | |||||
| 408 | T | 27.6 | Very low | 31.3 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | trans | -110.5 | 131.2 | 174.1 | 41.3 | 0 | 0 | 0 | 0 | 109.9 | L406 | L406-T408 HydrophobicContact CD2-CG2 3.75Å; L406-T408 HydrophobicContact CG-CG2 4.23Å | ||
| 409 | S | 25 | Very low | 31.4 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -97.3 | 149 | 165.9 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 410 | T | 31 | Very low | 31.5 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | -113.9 | 117.9 | -160.3 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 411 | S | 27 | Very low | 31.7 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 69.1 | 165 | 145.6 | -56.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 412 | P | 38.5 | Very low | 31.7 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -125.8 | -176.7 | 0 | 41.5 | -26.9 | 0 | 0 | 0 | 115.6 | ||||
| 413 | T | 30.2 | Very low | 31.5 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 137.3 | 156.9 | 39.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 414 | T | 33.2 | Very low | 31.8 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | 63.4 | 139 | 168 | 59.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 415 | A | 35.8 | Very low | 31.8 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -91.4 | 135.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 416 | T | 35.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 129 Ų | 129 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -165 | 167.7 | 141.4 | 6.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 417 | S | 34.9 | Very low | 31.2 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -71.2 | 150.2 | -174.2 | 45.6 | 0 | 0 | 0 | 0 | 113.7 | K419 | S417-K419 PolarHBondContact O-N 3.34Š| ||
| 418 | P | 34.1 | Very low | 31.5 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -66.1 | 123 | -179.4 | 26.5 | -34.5 | 0 | 0 | 0 | 111.7 | ||||
| 419 | K | 29.8 | Very low | 32 | Very low | 186 Ų | 186 | 126.9 Ų | 126.9 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | trans | -102.2 | 95.3 | -178 | -174.8 | 179.9 | -179.3 | 180 | 0 | 110.3 | S417 V421 | S417-K419 PolarHBondContact O-N 3.34Å; K419-V421 HydrophobicContact CG-CG2 4.34Å; K419-V421 PolarHBondContact O-N 3.15Å | ||
| 420 | V | 32.4 | Very low | 32.7 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -73.8 | 119.5 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | I422 | V420-I422 HydrophobicContact CG1-CG1 4.03Š| ||
| 421 | V | 32.3 | Very low | 33 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -113.6 | 111.2 | 173.4 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | K419 | K419-V421 HydrophobicContact CG-CG2 4.34Å; K419-V421 PolarHBondContact O-N 3.15Å | ||
| 422 | I | 31.3 | Very low | 33.7 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -94.9 | 97.1 | 174.2 | -54.7 | -179 | 0 | 0 | 0 | 108 | V420 T424 | V420-I422 HydrophobicContact CG1-CG1 4.03Å; I422-T424 HydrophobicContact CG2-CG2 4.15Å; I422-T424 PolarHBondContact O-N 2.97Å | ||
| 423 | Q | 27.6 | Very low | 33.8 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -96.1 | 86.2 | 179.5 | -173.6 | 175.8 | -0.6 | 0 | 0 | 110.7 | I425 | Q423-I425 HydrophobicContact CG-CG1 4.45Å; Q423-I425 PolarHBondContact O-N 3.17Å | ||
| 424 | T | 33.1 | Very low | 34.6 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -79 | 101.8 | 173.5 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | I422 | I422-T424 HydrophobicContact CG2-CG2 4.15Å; I422-T424 PolarHBondContact O-N 2.97Å | ||
| 425 | I | 29 | Very low | 35.3 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | trans | -78.6 | 125.7 | 167.2 | -57.6 | 177.4 | 0 | 0 | 0 | 108.1 | Q423 T427 | Q423-I425 HydrophobicContact CG-CG1 4.45Å; Q423-I425 PolarHBondContact O-N 3.17Å; I425-T427 PolarHBondContact O-N 3.31Å; I425-T427 VanDerWaalsContact O-N 3.16Å | ||
| 426 | P | 28.9 | Very low | 36.2 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | trans | -72.3 | 107 | 175.5 | -17.3 | 32 | 0 | 0 | 0 | 111.2 | V428 | P426-V428 PolarHBondContact O-N 3.4Š| ||
| 427 | T | 29.2 | Very low | 36.7 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -68.7 | 110.9 | 167.4 | -62 | 0 | 0 | 0 | 0 | 109.5 | I425 V429 | I425-T427 PolarHBondContact O-N 3.31Å; I425-T427 VanDerWaalsContact O-N 3.16Å; T427-V429 HydrophobicContact CG2-CG2 3.97Å | ||
| 428 | V | 35.2 | Very low | 37.1 | Very low | 130 Ų | 130 | 131 Ų | 131 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -90.2 | 119.5 | 169.1 | -70.9 | 0 | 0 | 0 | 0 | 109.7 | P426 | P426-V428 PolarHBondContact O-N 3.4Š| ||
| 429 | V | 37.3 | Very low | 37.8 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | -108.6 | 116 | 172 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | T427 A431 | T427-V429 HydrophobicContact CG2-CG2 3.97Å; V429-A431 PolarHBondContact O-N 3.13Å | ||
| 430 | P | 40.5 | Very low | 38.3 | Very low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -75.9 | 114.9 | 173.5 | 29.9 | -31.4 | 0 | 0 | 0 | 109.7 | S432 | P430-S432 PolarHBondContact O-N 3.28Š| ||
| 431 | A | 37 | Very low | 38.6 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -76.1 | 116.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V429 A433 | V429-A431 PolarHBondContact O-N 3.13Å; A431-A433 PolarHBondContact O-N 3.48Å | ||
| 432 | S | 41.2 | Very low | 38.8 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -77.9 | 108.5 | 174 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | P430 | P430-S432 PolarHBondContact O-N 3.28Š| ||
| 433 | A | 41.6 | Very low | 39.1 | Very low | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | trans | -91.9 | 130.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | A431 N435 | A431-A433 PolarHBondContact O-N 3.48Å; A433-N435 PolarHBondContact O-N 3.02Å | ||
| 434 | E | 47.4 | Very low | 39.6 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -78.7 | 70.3 | 171.6 | -170.2 | -176.9 | 96.9 | 0 | 0 | 110.2 | ||
| 435 | N | 48.1 | Very low | 39.7 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -172.5 | 149.2 | 154.4 | -102.4 | -46.7 | 0 | 0 | 0 | 110.3 | A433 D437 | A433-N435 PolarHBondContact O-N 3.02Å; N435-D437 PolarHBondContact O-N 3.18Å |
| 436 | G | 52.8 | Low | 40.3 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -73.6 | 25.7 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | K438 | G436-K438 PolarHBondContact O-N 3.24Š| ||
| 437 | D | 48 | Very low | 40.7 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 112.7 | -177.2 | -91.3 | -43 | 0 | 0 | 0 | 113 | N435 I439 | N435-D437 PolarHBondContact O-N 3.18Å; D437-I439 PolarHBondContact O-N 3.47Å | ||
| 438 | K | 42.9 | Very low | 41 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | -80.2 | 77.7 | -172.7 | -174.1 | 177.3 | 162.6 | -71.4 | 0 | 112.5 | G436 T440 | G436-K438 PolarHBondContact O-N 3.24Å; K438-T440 HydrophobicContact CG-CG2 4.43Å; K438-T440 VanDerWaalsContact NZ-CG2 3.29Å; K438-T440 PolarHBondContact O-N 3.39Å; K438-T440 VanDerWaalsContact O-N 3.13Å | ||
| 439 | I | 47.5 | Very low | 41.3 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | -61.7 | 111.9 | 174.5 | -56.8 | 175.6 | 0 | 0 | 0 | 110.6 | D437 M441 | D437-I439 PolarHBondContact O-N 3.47Å; I439-M441 HydrophobicContact CG2-CG 4.42Å | ||
| 440 | T | 41.1 | Very low | 41.6 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 61% | 0.613 | 78% | 0.775 | S | S | * | * | trans | -106.7 | 106.4 | 171.3 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | K438 | K438-T440 HydrophobicContact CG-CG2 4.43Å; K438-T440 VanDerWaalsContact NZ-CG2 3.29Å; K438-T440 PolarHBondContact O-N 3.39Å; K438-T440 VanDerWaalsContact O-N 3.13Å | ||
| 441 | M | 38.3 | Very low | 41.9 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 129.3 | 170.1 | -67.1 | -155.5 | 73.9 | 0 | 0 | 111.2 | I439 | I439-M441 HydrophobicContact CG2-CG 4.42Š|
| 442 | Q | 37.1 | Very low | 42.4 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 138.9 | 166.3 | -66.3 | -167.8 | 6 | 0 | 0 | 110.4 | ||
| 443 | P | 38.4 | Very low | 42.5 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 132.2 | 176.8 | 29.2 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 444 | A | 37.8 | Very low | 42.7 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 131.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I446 | A444-I446 PolarHBondContact O-N 3.3Š|
| 445 | K | 34.7 | Very low | 42.6 | Very low | 203 Ų | 203 | 130.7 Ų | 130.7 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -79.2 | 101.9 | -177.1 | -170 | 174 | -175 | 175.2 | 0 | 111.2 | I447 | K445-I447 PolarHBondContact O-N 3.49Š| ||
| 446 | I | 42 | Very low | 42.4 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | trans | -66.3 | 129.9 | 175.8 | -58.4 | 175.7 | 0 | 0 | 0 | 109.8 | A444 | A444-I446 PolarHBondContact O-N 3.3Š| ||
| 447 | I | 36.3 | Very low | 41.7 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -94.2 | 102.3 | 174.9 | -58 | 177 | 0 | 0 | 0 | 108.9 | K445 I449 | K445-I447 PolarHBondContact O-N 3.49Å; I447-I449 PolarHBondContact O-N 3.25Å | ||
| 448 | T | 36.8 | Very low | 41.6 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | -77.1 | 114.1 | 172.9 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 449 | I | 40.7 | Very low | 41.5 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 67% | 0.672 | 74% | 0.74 | S | S | * | * | trans | -86.6 | 121.9 | 172.5 | -58.4 | 177.7 | 0 | 0 | 0 | 108.9 | I447 | I447-I449 PolarHBondContact O-N 3.25Š| ||
| 450 | P | 44.6 | Very low | 41 | Very low | 79 Ų | 79 | 135.5 Ų | 135.5 | 51% | 0.513 | 75% | 0.746 | S | S | . | * | trans | -65.8 | 134.9 | 176.7 | -22.1 | 34.5 | 0 | 0 | 0 | 112.4 | T452 Q453 | P450-T452 PolarHBondContact O-N 3.26Å; P450-Q453 PolarHBondContact O-N 3.12Å; P450-Q453 VanDerWaalsContact O-N 3.12Å | ||
| 451 | A | 45.9 | Very low | 40.5 | Very low | 86 Ų | 86 | 136.9 Ų | 136.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -59.9 | -19.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q453 L454 | A451-Q453 PolarHBondContact O-N 3.02Å; A451-L454 PolarHBondContact O-N 3.42Å |
| 452 | T | 47.3 | Very low | 40.2 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -61.8 | -23.5 | 175.5 | 41.4 | 0 | 0 | 0 | 0 | 113.9 | P450 | P450-T452 PolarHBondContact O-N 3.26Š|
| 453 | Q | 43 | Very low | 39.8 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 59% | 0.589 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -75.7 | -22.9 | 177.8 | -74.1 | -73.2 | -64.3 | 0 | 0 | 113.6 | P450 A451 A455 | P450-Q453 PolarHBondContact O-N 3.12Å; P450-Q453 VanDerWaalsContact O-N 3.12Å; A451-Q453 PolarHBondContact O-N 3.02Å; Q453-A455 VanDerWaalsContact C-N 3.34Å; Q453-A455 PolarHBondContact O-N 3.26Å |
| 454 | L | 45.3 | Very low | 39.2 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -79.9 | -13.4 | -176.5 | -100.1 | 164.2 | 0 | 0 | 0 | 114.2 | A451 | A451-L454 PolarHBondContact O-N 3.42Š|
| 455 | A | 47.2 | Very low | 39 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 63% | 0.628 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -79.5 | -18.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q453 | Q453-A455 VanDerWaalsContact C-N 3.34Å; Q453-A455 PolarHBondContact O-N 3.26Å |
| 456 | Q | 44 | Very low | 38.9 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -88.5 | -18 | -173.3 | -71.6 | -175.6 | -40.1 | 0 | 0 | 114.5 | Q458 | Q456-Q458 VanDerWaalsContact C-N 3.32Å; Q456-Q458 PolarHBondContact O-N 3.03Å |
| 457 | C | 37.1 | Very low | 38.2 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 7 | -175.2 | -73.6 | 0 | 0 | 0 | 0 | 116 | ||
| 458 | Q | 44.8 | Very low | 38.1 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 6.6 | -178.6 | -73.3 | -161 | 69.9 | 0 | 0 | 115.5 | Q456 | Q456-Q458 VanDerWaalsContact C-N 3.32Å; Q456-Q458 PolarHBondContact O-N 3.03Å |
| 459 | L | 41.4 | Very low | 37.8 | Very low | 159 Ų | 159 | 131 Ų | 131 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -120.7 | 68 | -179.4 | -72.4 | 176.1 | 0 | 0 | 0 | 113.2 | ||||
| 460 | Q | 36.6 | Very low | 37.3 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -153.2 | 73.7 | 162.6 | -141.8 | 166.7 | 87.4 | 0 | 0 | 112.9 | ||||
| 461 | T | 30.6 | Very low | 36.5 | Very low | 129 Ų | 129 | 134 Ų | 134 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -137.4 | 141 | 165.1 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 462 | K | 31.7 | Very low | 35.8 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | 70.4 | 152 | -177.5 | -53.4 | -176.6 | -179.3 | 179.6 | 0 | 114.2 | ||||
| 463 | S | 29 | Very low | 35.2 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | cis | -141 | 142.5 | 12.4 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 464 | N | 27.3 | Very low | 34.8 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | 176.6 | 98.2 | 135.1 | -95.8 | -24.5 | 0 | 0 | 0 | 111 | ||||
| 465 | L | 32.4 | Very low | 34.2 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -176.2 | 154.3 | 152.2 | -105.1 | 159.2 | 0 | 0 | 0 | 109.6 | ||||
| 466 | T | 31.9 | Very low | 33.5 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -108.4 | 145 | -158.9 | -38 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 467 | G | 29 | Very low | 33.1 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | 124.5 | 103.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 468 | S | 34.4 | Very low | 32.7 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | trans | 31.2 | 126.2 | 151.4 | -152.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 469 | G | 28.9 | Very low | 32 | Very low | 82 Ų | 82 | 137.9 Ų | 137.9 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | 154.9 | 90.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 470 | S | 30.5 | Very low | 31.3 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | trans | -101.8 | 127.7 | -170.3 | 57 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 471 | I | 29.1 | Very low | 31 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | trans | -137.7 | 131.6 | 151.5 | -56.8 | -178.5 | 0 | 0 | 0 | 107.8 | ||||
| 472 | N | 30.7 | Very low | 30.9 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 84% | 0.839 | S | S | * | * | trans | -102.1 | 148.6 | 175.1 | -73 | -63.7 | 0 | 0 | 0 | 110.8 | ||||
| 473 | I | 33.6 | Very low | 30.8 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | trans | -128.6 | 131.3 | 162.1 | -66.7 | -179.3 | 0 | 0 | 0 | 107.5 | ||||
| 474 | V | 34.9 | Very low | 31 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 87% | 0.873 | 84% | 0.843 | S | S | * | * | trans | -105 | 134.3 | -177.5 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 475 | G | 32.4 | Very low | 31.3 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | trans | -175.4 | 126 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 476 | T | 32.1 | Very low | 31.3 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 148.1 | -173.1 | 38.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 477 | P | 37.2 | Very low | 31.5 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 144.2 | 176.3 | 32.5 | -34.4 | 0 | 0 | 0 | 112 | ||
| 478 | L | 27.4 | Very low | 31.9 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 135.7 | 173 | -143.6 | 78.6 | 0 | 0 | 0 | 110.3 | ||
| 479 | A | 30 | Very low | 31.8 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -87 | 143 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 480 | V | 28.4 | Very low | 31.9 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -116.9 | 123.1 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 481 | R | 28.9 | Very low | 32.7 | Very low | 246 Ų | 246 | 138.5 Ų | 138.5 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | trans | -90.6 | 132 | 167.4 | -87.5 | -179.2 | 166.9 | 161.7 | -4.3 | 109.8 | ||||
| 482 | A | 28.3 | Very low | 32.8 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | -88.4 | 153.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 483 | L | 30.5 | Very low | 33.1 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | trans | -119.7 | 151.8 | 167.2 | -69.2 | 176.2 | 0 | 0 | 0 | 109.5 | ||||
| 484 | T | 32.1 | Very low | 33.2 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 145.2 | -171.8 | 44.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 485 | P | 35 | Very low | 33 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 143.8 | 172.2 | 31.9 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 486 | V | 32.3 | Very low | 33 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 140.3 | 168.6 | 172.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 487 | S | 36.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 143.5 | 176.7 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 488 | I | 36.7 | Very low | 32.5 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 80% | 0.795 | 84% | 0.838 | S | S | * | * | trans | -132.4 | 132.5 | 170.3 | -59.6 | -179.2 | 0 | 0 | 0 | 107.7 | ||||
| 489 | A | 33.3 | Very low | 32.9 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | trans | -90.9 | 165.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 490 | H | 30.7 | Very low | 33.2 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -74.7 | 143.5 | -178.2 | -53.8 | 126.2 | 0 | 0 | 0 | 113.4 | ||
| 491 | G | 46.3 | Very low | 33.3 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | 118.4 | 83.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 492 | T | 32.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -163.5 | 145.6 | 157.5 | 3.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 493 | P | 36.9 | Very low | 33.6 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 146.7 | -172 | 32.3 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 494 | V | 34.8 | Very low | 33.8 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 132.2 | 175.9 | -179 | 0 | 0 | 0 | 0 | 110.5 | ||
| 495 | M | 30.6 | Very low | 33.5 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 136.6 | -176.8 | -161.8 | 168.7 | -179.2 | 0 | 0 | 111.8 | ||
| 496 | R | 33.6 | Very low | 33.2 | Very low | 233 Ų | 233 | 135.7 Ų | 135.7 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 120 | -176.7 | -178 | -179.3 | -173.9 | 140.9 | -1.8 | 110.9 | ||
| 497 | L | 26.8 | Very low | 33.1 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 142.6 | 163.3 | -111.5 | 72.3 | 0 | 0 | 0 | 110.6 | ||
| 498 | S | 31.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -104.3 | 146.6 | -177.8 | 42 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 499 | V | 35.5 | Very low | 33.2 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -84.7 | 130 | 172.4 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 500 | P | 36.3 | Very low | 33.1 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -77.9 | 144.8 | 167.3 | 32.7 | -33.1 | 0 | 0 | 0 | 110.6 | ||||
| 501 | A | 30.8 | Very low | 33.2 | Very low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -133.9 | 127.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 502 | Q | 30.8 | Very low | 32.4 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -176.5 | 150.4 | 164 | -109.3 | 171.3 | -20.4 | 0 | 0 | 107.4 | ||||
| 503 | Q | 31 | Very low | 32.3 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | cis | -151.3 | 166 | -1.5 | -155.4 | 156.6 | 2.7 | 0 | 0 | 109.1 | ||||
| 504 | A | 34.6 | Very low | 31.9 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -127.9 | 131.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 505 | S | 27.9 | Very low | 31.7 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -163.9 | 144.9 | 155.6 | 54.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 506 | G | 28.6 | Very low | 31.7 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | 149.2 | 100.2 | -14.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 507 | Q | 28.9 | Very low | 31.6 | Very low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -158.1 | 157.8 | 164 | -121.2 | 174.1 | 11 | 0 | 0 | 115.4 | ||||
| 508 | T | 36.4 | Very low | 31.7 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 161.1 | -176.2 | 45.5 | 0 | 0 | 0 | 0 | 118 | ||
| 509 | P | 39.7 | Very low | 31.6 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 147.6 | 177.9 | 31.9 | -36.8 | 0 | 0 | 0 | 113.6 | ||
| 510 | P | 31.5 | Very low | 32 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 146.1 | 172.9 | 31.3 | -34.1 | 0 | 0 | 0 | 111.8 | ||
| 511 | R | 32.8 | Very low | 31.6 | Very low | 231 Ų | 231 | 136.1 Ų | 136.1 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 145.8 | -177.7 | -63.3 | 160.6 | 73.2 | -176.9 | 4.9 | 110.3 | ||
| 512 | V | 27.5 | Very low | 31.7 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 132.3 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 513 | I | 30.9 | Very low | 31.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 80% | 0.795 | 80% | 0.803 | S | S | * | * | trans | -117.7 | 120.1 | 167.2 | -60.7 | 178.3 | 0 | 0 | 0 | 107.1 | ||||
| 514 | S | 28.9 | Very low | 31.7 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -92.6 | 134.7 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 515 | A | 30.7 | Very low | 31.3 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -124.7 | 93.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 516 | V | 30.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | -85.8 | 127.1 | 172 | 170.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 517 | I | 32.1 | Very low | 31.5 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -117.9 | 146.9 | 164.8 | -60.8 | -179 | 0 | 0 | 0 | 107.5 | ||||
| 518 | K | 27.8 | Very low | 31.6 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -135.3 | 120 | -142.7 | 178 | -175.3 | 176.6 | -177.6 | 0 | 114.3 | ||||
| 519 | G | 30.7 | Very low | 31.3 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 77.7 | -175.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 520 | P | 43.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | cis | -107 | 174.6 | 6.3 | 39.4 | -32.4 | 0 | 0 | 0 | 115.8 | ||||
| 521 | E | 27.3 | Very low | 30.6 | Very low | 153 Ų | 153 | 148 Ų | 148 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | trans | -101.4 | 149.7 | 179.4 | 170.4 | -166.3 | 146.4 | 0 | 0 | 111 | ||||
| 522 | V | 33.3 | Very low | 30.4 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | -141.6 | 134.4 | 151.5 | -78.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 523 | K | 30.2 | Very low | 30.6 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -78.8 | 175.3 | 160.4 | -64.3 | 178.1 | 178.7 | 177.9 | 0 | 108.9 | ||||
| 524 | S | 31.2 | Very low | 30.5 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | cis | -155.7 | 137.3 | 29.7 | -51.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 525 | E | 26.6 | Very low | 30.9 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | 92.5 | 160.9 | 95.8 | -165.5 | 165.1 | 112 | 0 | 0 | 113.1 | |||||
| 526 | A | 31.8 | Very low | 31.1 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -101.1 | 166 | -156.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 527 | V | 28.4 | Very low | 31.1 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | -155.2 | 139.8 | 128.1 | 132.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 528 | A | 31.8 | Very low | 31.1 | Very low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -85.9 | 158.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 529 | K | 29.2 | Very low | 31.1 | Very low | 215 Ų | 215 | 145.4 Ų | 145.4 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -152.2 | 145.3 | 146.2 | -112.5 | 154.7 | -170.4 | 174.8 | 0 | 112.5 | ||||
| 530 | K | 30.4 | Very low | 30.9 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -100.5 | 131 | -173.8 | 167 | -165.9 | 177.5 | -172.4 | 0 | 108.5 | ||||
| 531 | Q | 27.4 | Very low | 30.3 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -149 | 158 | 161.4 | -161.4 | 152.9 | -3 | 0 | 0 | 113.1 | ||||
| 532 | E | 28.8 | Very low | 30.4 | Very low | 152 Ų | 152 | 150 Ų | 150 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | trans | -128.5 | 137.4 | -165.3 | 157.3 | -156 | 109.5 | 0 | 0 | 108.1 | ||||
| 533 | H | 30.3 | Very low | 30.3 | Very low | 162 Ų | 162 | 152 Ų | 152 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | 175.5 | 150.5 | 153.2 | -111.6 | -124.9 | 0 | 0 | 0 | 106.4 | ||||
| 534 | D | 29.1 | Very low | 30.2 | Very low | 91 Ų | 91 | 153.3 Ų | 153.3 | 49% | 0.487 | 79% | 0.793 | S | S | . | * | cis | 135.1 | 155.4 | 10.6 | 172.2 | -141.4 | 0 | 0 | 0 | 105.9 | K536 | D534-K536 WeakPolarHBondContact OD1-CD 3.33Å; D534-K536 IonicContact OD1-NZ 2.65Å; D534-K536 PolarHBondContact OD1-NZ 2.76Å; D534-K536 IonicContact OD2-NZ 2.82Å; D534-K536 PolarHBondContact OD2-NZ 3.21Å | ||
| 535 | V | 38.6 | Very low | 30.3 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | trans | -111.3 | 110 | -174.7 | 179 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 536 | K | 32.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -145.6 | 131.4 | 156 | -77.1 | 96.1 | -159.7 | 164.5 | 0 | 107.1 | D534 | D534-K536 WeakPolarHBondContact OD1-CD 3.33Å; D534-K536 IonicContact OD1-NZ 2.65Å; D534-K536 PolarHBondContact OD1-NZ 2.76Å; D534-K536 IonicContact OD2-NZ 2.82Å; D534-K536 PolarHBondContact OD2-NZ 3.21Å | ||
| 537 | T | 32.3 | Very low | 30.9 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | cis | 61.6 | 80.9 | 47.1 | -49.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 538 | L | 30.6 | Very low | 31.3 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 130.8 | 168.7 | -76.6 | 175.8 | 0 | 0 | 0 | 110.6 | ||
| 539 | Q | 27.7 | Very low | 32 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 149.4 | 177.3 | -174.9 | 171.4 | -5.2 | 0 | 0 | 110.1 | ||
| 540 | L | 28.1 | Very low | 32.4 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 134.6 | -180 | -161.9 | 79 | 0 | 0 | 0 | 111.5 | ||
| 541 | V | 31.3 | Very low | 33.2 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -128.8 | 130.9 | 158.7 | 175.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 542 | E | 29 | Very low | 33.5 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | -103.7 | 131.2 | -175.1 | -176.8 | 179.5 | 103.9 | 0 | 0 | 109.8 | ||||
| 543 | E | 29.6 | Very low | 34.1 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -115.8 | 139.7 | 169.4 | -156.2 | -151.7 | 116.7 | 0 | 0 | 109.8 | ||||
| 544 | K | 29.3 | Very low | 34.5 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -111.4 | 91.8 | -166 | -176 | -179.2 | 174.8 | 179.6 | 0 | 111.8 | ||||
| 545 | G | 32.2 | Very low | 35 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -68.6 | 152.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 546 | A | 35.5 | Very low | 35.1 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | -103.4 | 148.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 547 | D | 37.1 | Very low | 35.3 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | 48.8 | 150.4 | 159.7 | -74.2 | -77.6 | 0 | 0 | 0 | 121.9 | ||||
| 548 | G | 37.1 | Very low | 35.6 | Very low | 41 Ų | 41 | 139.2 Ų | 139.2 | 42% | 0.423 | 78% | 0.775 | S | S | . | * | trans | 116.3 | 25.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | K550 | G548-K550 PolarHBondContact O-N 3.16Š| ||
| 549 | N | 45.4 | Very low | 35.6 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 26.8 | 84 | 151.4 | 54.6 | -88.9 | 0 | 0 | 0 | 118.7 | ||||
| 550 | K | 37.8 | Very low | 36.1 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | trans | -136.7 | 144.8 | 169.7 | -68.4 | 169.3 | -165.7 | 171.2 | 0 | 111.5 | G548 | G548-K550 PolarHBondContact O-N 3.16Š| ||
| 551 | T | 46.8 | Very low | 37 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -70.1 | 132.7 | 178 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 552 | V | 34.1 | Very low | 37.4 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | trans | -87.2 | 110.8 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | H554 | V552-H554 PolarHBondContact O-N 3.22Š| ||
| 553 | T | 41.8 | Very low | 37.8 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -79.6 | 101.9 | 170.7 | -52.8 | 0 | 0 | 0 | 0 | 109.9 | V555 | T553-V555 PolarHBondContact O-N 3.49Å; T553-V555 VanDerWaalsContact O-N 3.11Å | ||
| 554 | H | 37.9 | Very low | 38.1 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 73% | 0.731 | 76% | 0.763 | S | S | * | * | trans | -74.3 | 98.9 | 174 | -76.4 | -84.8 | 0 | 0 | 0 | 111.3 | V552 V556 | V552-H554 PolarHBondContact O-N 3.22Å; H554-V556 PolarHBondContact O-N 3.32Å; H554-V556 VanDerWaalsContact O-N 3.16Å | ||
| 555 | V | 40.9 | Very low | 38.3 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | trans | -75.4 | 98.2 | 169.5 | -179 | 0 | 0 | 0 | 0 | 109.1 | T553 V557 | T553-V555 PolarHBondContact O-N 3.49Å; T553-V555 VanDerWaalsContact O-N 3.11Å; V555-V557 HydrophobicContact CG1-CG2 4.23Å; V555-V557 PolarHBondContact O-N 3.35Å | ||
| 556 | V | 39.9 | Very low | 38.4 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -86.1 | 103.4 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | H554 V558 | H554-V556 PolarHBondContact O-N 3.32Å; H554-V556 VanDerWaalsContact O-N 3.16Å; V556-V558 HydrophobicContact CG1-CG2 3.76Å; V556-V558 PolarHBondContact O-N 3.44Å | ||
| 557 | V | 37.8 | Very low | 38.5 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | trans | -77.6 | 85.9 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | V555 S559 | V555-V557 HydrophobicContact CG1-CG2 4.23Å; V555-V557 PolarHBondContact O-N 3.35Å; V557-S559 PolarHBondContact O-N 2.96Å | ||
| 558 | V | 37.4 | Very low | 38.4 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | trans | -77.4 | 102.2 | 171.5 | -176.2 | 0 | 0 | 0 | 0 | 109 | V556 A560 | V556-V558 HydrophobicContact CG1-CG2 3.76Å; V556-V558 PolarHBondContact O-N 3.44Å; V558-A560 PolarHBondContact O-N 3.13Å; V558-A560 VanDerWaalsContact O-N 3.14Å | ||
| 559 | S | 30.2 | Very low | 38.3 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -75.5 | 98.3 | 170.9 | -168.1 | 0 | 0 | 0 | 0 | 109.9 | V557 | V557-S559 PolarHBondContact O-N 2.96Š| ||
| 560 | A | 39.8 | Very low | 37.8 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 61% | 0.612 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 131.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V558 S562 | V558-A560 PolarHBondContact O-N 3.13Å; V558-A560 VanDerWaalsContact O-N 3.14Å; A560-S562 PolarHBondContact O-N 2.97Å |
| 561 | P | 46.5 | Very low | 37.5 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 122.7 | 169.2 | 29.7 | -32.1 | 0 | 0 | 0 | 110.2 | ||
| 562 | S | 39.4 | Very low | 37.2 | Very low | 126 Ų | 126 | 129 Ų | 129 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 142.7 | -179.1 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | A560 | A560-S562 PolarHBondContact O-N 2.97Š|
| 563 | A | 37.5 | Very low | 37.1 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 156.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 564 | I | 35.7 | Very low | 36.8 | Very low | 173 Ų | 173 | 128.4 Ų | 128.4 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -118.8 | 132.9 | 155.1 | -64.5 | 179.8 | 0 | 0 | 0 | 107 | ||||
| 565 | A | 33.7 | Very low | 36.8 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -88.5 | 153.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 566 | L | 33.8 | Very low | 36.7 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -123.2 | 141.9 | 156.2 | -72.5 | 175.2 | 0 | 0 | 0 | 108.5 | ||||
| 567 | P | 38.8 | Very low | 36.7 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -76.4 | 129.1 | -171.1 | 29.5 | -34.6 | 0 | 0 | 0 | 112.4 | ||||
| 568 | V | 34.5 | Very low | 36.6 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -106.4 | 123.6 | 165.3 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 569 | T | 34.3 | Very low | 36.8 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -77.5 | 120.8 | 175.1 | 40.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 570 | M | 35.6 | Very low | 37.3 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -98.2 | 134.8 | 176.9 | -53 | -168 | 86 | 0 | 0 | 109.8 | ||||
| 571 | K | 32.1 | Very low | 37.2 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 70% | 0.704 | 82% | 0.819 | S | S | * | * | trans | -107 | 129.6 | -178.1 | -174.3 | 176.7 | -178.5 | -73.4 | 0 | 109.4 | E573 | K571-E573 IonicContact NZ-OE1 2.65Å; K571-E573 PolarHBondContact NZ-OE1 2.89Å; K571-E573 IonicContact NZ-OE2 2.75Å; K571-E573 PolarHBondContact NZ-OE2 3.35Å | ||
| 572 | T | 39 | Very low | 36.7 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -96.9 | 99.5 | -164.8 | -48 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 573 | E | 33.5 | Very low | 36.6 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 67% | 0.673 | 82% | 0.815 | S | S | * | * | trans | -160.3 | 138.5 | 164.8 | 54.5 | -133 | 64.9 | 0 | 0 | 109.8 | K571 | K571-E573 IonicContact NZ-OE1 2.65Å; K571-E573 PolarHBondContact NZ-OE1 2.89Å; K571-E573 IonicContact NZ-OE2 2.75Å; K571-E573 PolarHBondContact NZ-OE2 3.35Å | ||
| 574 | G | 33.9 | Very low | 36.5 | Very low | 74 Ų | 74 | 145.1 Ų | 145.1 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | cis | -164.4 | 166 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 575 | L | 39.3 | Very low | 36.6 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -74.6 | 131.4 | -177.9 | 175.7 | 71 | 0 | 0 | 0 | 112.2 | T577 | L575-T577 HydrophobicContact CD1-CG2 4.37Š| ||
| 576 | V | 37.4 | Very low | 36.8 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -136.7 | 127.8 | 159 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 577 | T | 40.9 | Very low | 37 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 68% | 0.681 | 81% | 0.814 | S | S | * | * | trans | -97.3 | 151.2 | 175.8 | 46.6 | 0 | 0 | 0 | 0 | 111.2 | L575 | L575-T577 HydrophobicContact CD1-CG2 4.37Š| ||
| 578 | C | 35.2 | Very low | 36.8 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 86% | 0.858 | 81% | 0.812 | S | S | * | * | trans | -142.9 | 110.3 | 156.6 | -83.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 579 | E | 41.8 | Very low | 37 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -63.3 | 157.9 | 144.8 | -121.9 | -177.1 | 93.7 | 0 | 0 | 107.9 | ||||
| 580 | K | 41.5 | Very low | 37.3 | Very low | 249 Ų | 249 | 149.5 Ų | 149.5 | 100% | 1.083 | 81% | 0.811 | S | S | * | * | cis | -155.6 | 0 | 14.8 | 178.6 | 174 | -176.5 | 158.2 | 0 | 110.5 |
Retrieved 580 of 580 residues in 119.8 ms
(Link to these results)