| 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 | 47.1 | Very low | 52.3 | Low | 226 Ų | 226 | 161.2 Ų | 161.2 | 100% | 1.113 | 84% | 0.844 | S | S | * | * | 0 | 94.7 | 0 | -71.6 | 163.2 | 70 | 0 | 0 | 108.8 | |||||
| 2 | L | 48.8 | Very low | 52.1 | Low | 149 Ų | 149 | 164.3 Ų | 164.3 | 78% | 0.78 | 85% | 0.845 | S | S | * | * | trans | -74.4 | 125.3 | 172.5 | -96 | 73.5 | 0 | 0 | 0 | 109 | ||||
| 3 | K | 60.6 | Low | 51.7 | Low | 201 Ų | 201 | 163.5 Ų | 163.5 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -109 | 109.1 | 166.6 | -75.3 | -85.1 | -177.1 | 171.9 | 0 | 108.5 | ||||
| 4 | R | 58.3 | Low | 51.5 | Low | 214 Ų | 214 | 165.9 Ų | 165.9 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | trans | -101.4 | 133.4 | 164.2 | -76.8 | -175.7 | 175.1 | 121.7 | -2.6 | 109.3 | ||||
| 5 | K | 56.3 | Low | 51.3 | Low | 189 Ų | 189 | 164.5 Ų | 164.5 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | 38.5 | 152.4 | 147.5 | -53.1 | -157.6 | 174.1 | -173.5 | 0 | 121 | ||||
| 6 | P | 58.3 | Low | 51.3 | Low | 125 Ų | 125 | 166.2 Ų | 166.2 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | -135.5 | 147 | 82 | 33.5 | -17.6 | 0 | 0 | 0 | 115.2 | |||||
| 7 | S | 48.1 | Very low | 51.7 | Low | 94 Ų | 94 | 167.3 Ų | 167.3 | 66% | 0.657 | 83% | 0.829 | S | S | * | * | trans | -64.7 | 142.9 | 157.5 | 37.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 8 | N | 48.2 | Very low | 52 | Low | 176 Ų | 176 | 164.4 Ų | 164.4 | 94% | 0.941 | 83% | 0.825 | S | S | * | * | trans | -155 | 136.3 | 146 | -109.3 | -19.8 | 0 | 0 | 0 | 112 | ||||
| 9 | A | 47.3 | Very low | 52.4 | Low | 96 Ų | 96 | 166.9 Ų | 166.9 | 79% | 0.793 | 83% | 0.83 | S | S | * | * | trans | -92.8 | 145.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 10 | S | 53.5 | Low | 52 | Low | 114 Ų | 114 | 170.3 Ų | 170.3 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | -160.6 | 106.4 | 149.2 | 54 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 11 | E | 48.4 | Very low | 51.8 | Low | 189 Ų | 189 | 168 Ų | 168 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | 51.3 | 88.8 | 71.6 | -154.1 | 177.7 | -145.1 | 0 | 0 | 112.3 | |||||
| 12 | K | 50.9 | Low | 51.6 | Low | 199 Ų | 199 | 162.4 Ų | 162.4 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | -171.8 | 106.3 | 127.1 | -101.6 | 171 | -173.5 | 179.4 | 0 | 111.7 | |||||
| 13 | E | 46.9 | Very low | 51.6 | Low | 154 Ų | 154 | 161 Ų | 161 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -56 | 129.4 | 162.5 | -168.1 | 174.7 | -174.7 | 0 | 0 | 110.9 | H15 | E13-H15 VanDerWaalsContact CD-CE1 3.49Å; E13-H15 IonicContact OE1-CE1 2.97Å; E13-H15 PolarHBondContact OE1-CE1 3.24Å; E13-H15 IonicContact OE1-ND1 3.61Å; E13-H15 IonicContact OE1-NE2 3.71Å | ||
| 14 | K | 48.8 | Very low | 50.9 | Low | 197 Ų | 197 | 161.1 Ų | 161.1 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -119.6 | 102.8 | 161.3 | -85.9 | -172.7 | 178.3 | 179.5 | 0 | 108.3 | Q16 | K14-Q16 PolarHBondContact O-N 3.35Š| ||
| 15 | H | 48.1 | Very low | 50.5 | Low | 144 Ų | 144 | 154.1 Ų | 154.1 | 67% | 0.667 | 81% | 0.814 | S | S | * | * | trans | -55.8 | 114.9 | 168.6 | -58.2 | -74.8 | 0 | 0 | 0 | 111 | E13 | E13-H15 VanDerWaalsContact CD-CE1 3.49Å; E13-H15 IonicContact OE1-CE1 2.97Å; E13-H15 PolarHBondContact OE1-CE1 3.24Å; E13-H15 IonicContact OE1-ND1 3.61Å; E13-H15 IonicContact OE1-NE2 3.71Å | ||
| 16 | Q | 51.5 | Low | 49.9 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -97.9 | 103.3 | 154.3 | -82.9 | -172.6 | 2.6 | 0 | 0 | 108 | K14 | K14-Q16 PolarHBondContact O-N 3.35Š| ||
| 17 | K | 57.7 | Low | 49.1 | Very low | 185 Ų | 185 | 156.3 Ų | 156.3 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -69.9 | 131 | 169 | -64.5 | 179.6 | 179 | 179.8 | 0 | 108.9 | K19 | K17-K19 PolarHBondContact O-N 3.22Š| ||
| 18 | P | 57.5 | Low | 48.9 | Very low | 116 Ų | 116 | 157 Ų | 157 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -70.9 | 123.5 | 162.2 | 27.2 | -29.3 | 0 | 0 | 0 | 108.9 | R20 | P18-R20 PolarHBondContact O-N 3.48Š| ||
| 19 | K | 58.7 | Low | 48.8 | Very low | 212 Ų | 212 | 160.7 Ų | 160.7 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | trans | -65.5 | 104.5 | 170.8 | -69.7 | 179.9 | -179.8 | 177.6 | 0 | 108.4 | K17 S21 | K17-K19 PolarHBondContact O-N 3.22Å; K19-S21 PolarHBondContact O-N 3.49Å | ||
| 20 | R | 44.6 | Very low | 48.6 | Very low | 234 Ų | 234 | 164.2 Ų | 164.2 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -67.4 | 116.6 | 157.9 | -76.4 | 177.8 | 144.1 | 106.7 | -3.2 | 107.5 | P18 S22 | P18-R20 PolarHBondContact O-N 3.48Å; R20-S22 PolarHBondContact O-N 3.47Å | ||
| 21 | S | 47.6 | Very low | 48 | Very low | 122 Ų | 122 | 168.8 Ų | 168.8 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -86.5 | 102 | 160 | 62.4 | 0 | 0 | 0 | 0 | 108.2 | K19 | K19-S21 PolarHBondContact O-N 3.49Š| ||
| 22 | S | 44.4 | Very low | 47.6 | Very low | 108 Ų | 108 | 166.3 Ų | 166.3 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -94.1 | 106.6 | 160.4 | 58.9 | 0 | 0 | 0 | 0 | 107.2 | R20 | R20-S22 PolarHBondContact O-N 3.47Š| ||
| 23 | S | 48.7 | Very low | 47 | Very low | 119 Ų | 119 | 163.5 Ų | 163.5 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -108.9 | 99 | 162.7 | -177 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 24 | F | 45.6 | Very low | 46.6 | Very low | 205 Ų | 205 | 160 Ų | 160 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | trans | -76 | 133.6 | 166 | -112.1 | -100 | 0 | 0 | 0 | 108.4 | ||||
| 25 | G | 49.3 | Very low | 46.2 | Very low | 67 Ų | 67 | 158.5 Ų | 158.5 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 91.7 | 99.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 26 | N | 44 | Very low | 45.8 | Very low | 174 Ų | 174 | 157.1 Ų | 157.1 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -152.4 | 94.1 | 135 | -129.8 | 13.9 | 0 | 0 | 0 | 109 | ||||
| 27 | F | 42 | Very low | 45.3 | Very low | 186 Ų | 186 | 157.8 Ų | 157.8 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | -107.5 | 139.6 | 171.9 | -135 | -98.7 | 0 | 0 | 0 | 107.2 | ||||
| 28 | D | 42.9 | Very low | 44.3 | Very low | 107 Ų | 107 | 155 Ų | 155 | 57% | 0.572 | 80% | 0.804 | S | S | * | * | trans | 63.3 | 98.3 | 167.8 | -65.4 | -31.5 | 0 | 0 | 0 | 119.6 | F30 | D28-F30 HydrophobicContact CB-CD2 4.36Å; D28-F30 VanDerWaalsContact OD1-CD2 3.27Å; D28-F30 WeakPolarHBondContact OD1-CD2 3.48Å; D28-F30 WeakPolarHBondContact OD1-CE2 3.39Å | ||
| 29 | R | 47 | Very low | 43.2 | Very low | 255 Ų | 255 | 157.3 Ų | 157.3 | 96% | 0.962 | 81% | 0.81 | S | S | * | * | trans | -125.6 | 68.3 | 144.4 | -138.6 | -177.8 | -101.4 | -111.7 | 3 | 109.5 | ||||
| 30 | F | 42.8 | Very low | 41.8 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -64.5 | 141.1 | 163 | -76.5 | -77.5 | 0 | 0 | 0 | 110 | D28 | D28-F30 HydrophobicContact CB-CD2 4.36Å; D28-F30 VanDerWaalsContact OD1-CD2 3.27Å; D28-F30 WeakPolarHBondContact OD1-CD2 3.48Å; D28-F30 WeakPolarHBondContact OD1-CE2 3.39Å | ||
| 31 | R | 41.1 | Very low | 41.5 | Very low | 210 Ų | 210 | 146.8 Ų | 146.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | 106.1 | 113.8 | 134.8 | -159.2 | 176 | -69.8 | -105.8 | 6.6 | 118.7 | ||||
| 32 | N | 39.9 | Very low | 40.7 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 78.4 | 144.4 | 151.9 | -57.5 | -4.9 | 0 | 0 | 0 | 117.9 | ||||
| 33 | N | 37 | Very low | 40.1 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | cis | -161.1 | 149.9 | 9.3 | -150.4 | 36.3 | 0 | 0 | 0 | 110.5 | ||||
| 34 | S | 38.4 | Very low | 39.3 | Very low | 79 Ų | 79 | 151 Ų | 151 | 55% | 0.552 | 79% | 0.785 | S | S | * | * | trans | 44.9 | 128.6 | 138.5 | 68.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 35 | I | 40.8 | Very low | 38.7 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | 59.8 | 121.4 | 129.1 | -73.4 | 155.5 | 0 | 0 | 0 | 119.7 | |||||
| 36 | S | 39.4 | Very low | 37.7 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | -167.1 | 128.7 | 128.6 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 37 | K | 42.2 | Very low | 37.2 | Very low | 207 Ų | 207 | 149.5 Ų | 149.5 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | trans | -71.9 | 160.3 | 160.9 | -66.6 | 179.1 | 174.5 | 180 | 0 | 109.4 | ||||
| 38 | S | 35.9 | Very low | 36.5 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | trans | -130.5 | 129.8 | 158.3 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 39 | D | 33.7 | Very low | 35.8 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -127.5 | 126.5 | 176.4 | -157.2 | -5 | 0 | 0 | 0 | 104.5 | ||||
| 40 | D | 30.6 | Very low | 34.9 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -179.4 | 136.9 | 173 | -151.8 | 45.4 | 0 | 0 | 0 | 107.5 | ||||
| 41 | S | 37.4 | Very low | 34.2 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 51% | 0.51 | 77% | 0.77 | S | S | . | * | cis | -179.4 | 146.8 | -22 | 54.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 42 | T | 31.3 | Very low | 33.6 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 62.7 | 143.1 | 153.6 | 57.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 43 | E | 31.2 | Very low | 33.2 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | cis | -164.6 | 169.1 | 26.8 | -138.5 | 175.1 | -163.8 | 0 | 0 | 110.4 | ||||
| 44 | V | 33.4 | Very low | 33.1 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -81.4 | 142.4 | -168.5 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 45 | H | 31.3 | Very low | 32.9 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | trans | -162.7 | 150.3 | 135.2 | -146.2 | 35.7 | 0 | 0 | 0 | 115.1 | ||||
| 46 | E | 30.2 | Very low | 32.8 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -86 | 174.2 | -164.4 | -63 | 172.7 | 124.9 | 0 | 0 | 115.5 | ||||
| 47 | G | 32.2 | Very low | 32.7 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | 123.2 | 93.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 48 | E | 27.9 | Very low | 32.5 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | 82.3 | 115.8 | 58.3 | -166.7 | 167.9 | 130.2 | 0 | 0 | 114.5 | |||||
| 49 | L | 27.5 | Very low | 32.4 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | 68.3 | 143.6 | 157.7 | -64.7 | 167.3 | 0 | 0 | 0 | 117.8 | ||||
| 50 | T | 29.4 | Very low | 32.3 | Very low | 97 Ų | 97 | 133 Ų | 133 | 60% | 0.595 | 74% | 0.737 | S | S | * | * | cis | -174.2 | 152.4 | 16.1 | 15.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 51 | N | 26.9 | Very low | 32.6 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | 64.5 | 136.4 | 145.3 | -55 | -22.7 | 0 | 0 | 0 | 119 | ||||
| 52 | G | 28.6 | Very low | 32.4 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | cis | 172.1 | 168 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 53 | S | 32.3 | Very low | 32.5 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 67.1 | 136.8 | 175.9 | -101.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 54 | E | 34.4 | Very low | 32.9 | Very low | 158 Ų | 158 | 128 Ų | 128 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -164.4 | 131.7 | 2.9 | -126.5 | 155.5 | 160.3 | 0 | 0 | 106.5 | ||||
| 55 | E | 34.6 | Very low | 33.6 | Very low | 148 Ų | 148 | 130 Ų | 130 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 72.3 | 120 | 133.5 | -76.4 | -162.2 | 138.8 | 0 | 0 | 124 | ||||
| 56 | Q | 38.7 | Very low | 34.6 | Very low | 136 Ų | 136 | 129 Ų | 129 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | 80.9 | 92 | 133.8 | -62.3 | 178 | 23.4 | 0 | 0 | 119.1 | ||||
| 57 | N | 37.5 | Very low | 35.7 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | 173.4 | 114.4 | 90.5 | -86.3 | -50.8 | 0 | 0 | 0 | 113.9 | |||||
| 58 | K | 37.4 | Very low | 37.1 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 56.7 | 89.8 | 131.9 | -145.6 | 163.8 | -177 | 178 | 0 | 120.9 | ||||
| 59 | T | 33 | Very low | 38.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | 41.2 | 106.9 | 122.6 | 65.2 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 60 | S | 32 | Very low | 39.9 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | 88.6 | 121.2 | 82.1 | 75 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 61 | N | 38.5 | Very low | 41.6 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | 162.7 | 106.9 | 125.4 | -78.6 | -17.5 | 0 | 0 | 0 | 107.9 | |||||
| 62 | T | 33 | Very low | 43.2 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | 88.1 | 104.6 | 95.3 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 63 | G | 32.9 | Very low | 44.6 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | 76.9 | 119.2 | 125.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 64 | G | 39.9 | Very low | 46 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 158.6 | 65.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116 | L66 | G64-L66 PolarHBondContact O-N 3.19Š| ||
| 65 | N | 48.3 | Very low | 46.9 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -57.5 | 118.4 | 158.7 | -89.1 | 22.6 | 0 | 0 | 0 | 109.4 | ||||
| 66 | L | 52.5 | Low | 48.4 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -126.7 | 87.2 | 167.3 | -144.7 | 81.9 | 0 | 0 | 0 | 110.3 | G64 K68 | G64-L66 PolarHBondContact O-N 3.19Å; L66-K68 PolarHBondContact O-N 3.21Å | ||
| 67 | G | 51.4 | Low | 49.1 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -65 | 116.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K69 | G67-K69 PolarHBondContact O-N 3.23Š| ||
| 68 | K | 63.4 | Low | 50.4 | Low | 198 Ų | 198 | 146.3 Ų | 146.3 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -84.8 | 89.1 | 169.9 | -66.8 | -179.5 | -177.5 | 177.7 | 0 | 108.9 | L66 M70 | L66-K68 PolarHBondContact O-N 3.21Å; K68-M70 PolarHBondContact O-N 3.13Å | ||
| 69 | K | 57 | Low | 51.8 | Low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -74.1 | 108.8 | 165.7 | -68.2 | -178.6 | 177.4 | 179 | 0 | 108.2 | G67 R71 | G67-K69 PolarHBondContact O-N 3.23Å; K69-R71 PolarHBondContact O-N 3.14Å | ||
| 70 | M | 56.4 | Low | 53.5 | Low | 188 Ų | 188 | 150.2 Ų | 150.2 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -68.2 | 119.5 | 172.3 | -157.3 | 151 | 75.6 | 0 | 0 | 108.5 | K68 A72 | K68-M70 PolarHBondContact O-N 3.13Å; M70-A72 PolarHBondContact O-N 2.73Å | ||
| 71 | R | 64.7 | Low | 54.7 | Low | 231 Ų | 231 | 150.7 Ų | 150.7 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 112 | 172.6 | -81.8 | -169.9 | -85.1 | -141.8 | -2.1 | 108.3 | K69 I73 | K69-R71 PolarHBondContact O-N 3.14Å; R71-I73 PolarHBondContact O-N 2.84Å | ||
| 72 | A | 60.1 | Low | 55.2 | Low | 97 Ų | 97 | 147 Ų | 147 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -65 | 121.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | M70 S74 | M70-A72 PolarHBondContact O-N 2.73Å; A72-S74 PolarHBondContact O-N 3.41Å | ||
| 73 | I | 59.3 | Low | 56.5 | Low | 168 Ų | 168 | 150.1 Ų | 150.1 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | trans | -88.4 | 105.1 | 174.2 | -48.7 | 173.2 | 0 | 0 | 0 | 106.2 | R71 | R71-I73 PolarHBondContact O-N 2.84Š| ||
| 74 | S | 61.1 | Low | 57.6 | Low | 97 Ų | 97 | 155.3 Ų | 155.3 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -80.3 | 118.1 | 174.2 | 43 | 0 | 0 | 0 | 0 | 110.2 | A72 T76 | A72-S74 PolarHBondContact O-N 3.41Å; S74-T76 PolarHBondContact O-N 3.33Å | ||
| 75 | W | 54.3 | Low | 57.8 | Low | 215 Ų | 215 | 161.9 Ų | 161.9 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -75.6 | 93.4 | 174.8 | -160.1 | 179.2 | 0 | 0 | 0 | 109.4 | M77 | W75-M77 HydrophobicContact CD2-CG 3.86Å; W75-M77 HydrophobicContact CE3-CG 4.2Å; W75-M77 HydrophobicContact CG-CG 4.32Å; W75-M77 HydrophobicContact CH2-CG 4.4Å; W75-M77 HydrophobicContact CZ2-CG 4.06Å; W75-M77 HydrophobicContact CZ3-CG 4.45Å; W75-M77 PolarHBondContact O-N 3.45Å | ||
| 76 | T | 66.1 | Low | 57.9 | Low | 115 Ų | 115 | 162.4 Ų | 162.4 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -88.1 | 85.6 | 172.3 | 52.1 | 0 | 0 | 0 | 0 | 110.6 | S74 K78 | S74-T76 PolarHBondContact O-N 3.33Å; T76-K78 PolarHBondContact O-N 3.47Å; T76-K78 VanDerWaalsContact O-N 3.13Å | ||
| 77 | M | 52 | Low | 57.6 | Low | 145 Ų | 145 | 164 Ų | 164 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | trans | -70.3 | 104.2 | 169.1 | -66.5 | -177.1 | 72.7 | 0 | 0 | 110.1 | W75 K79 | W75-M77 HydrophobicContact CD2-CG 3.86Å; W75-M77 HydrophobicContact CE3-CG 4.2Å; W75-M77 HydrophobicContact CG-CG 4.32Å; W75-M77 HydrophobicContact CH2-CG 4.4Å; W75-M77 HydrophobicContact CZ2-CG 4.06Å; W75-M77 HydrophobicContact CZ3-CG 4.45Å; W75-M77 PolarHBondContact O-N 3.45Å; M77-K79 PolarHBondContact O-N 3.21Å | ||
| 78 | K | 65.4 | Low | 57.1 | Low | 202 Ų | 202 | 164.9 Ų | 164.9 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | -90.2 | 88.8 | 167.7 | -170.8 | 177.1 | 174.1 | 177.1 | 0 | 109.5 | T76 K80 | T76-K78 PolarHBondContact O-N 3.47Å; T76-K78 VanDerWaalsContact O-N 3.13Å; K78-K80 PolarHBondContact O-N 2.99Å; K78-K80 VanDerWaalsContact O-N 3.09Å | ||
| 79 | K | 67.5 | Low | 55.7 | Low | 182 Ų | 182 | 163.3 Ų | 163.3 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -69.6 | 103.6 | 174.6 | -161 | 175 | 89.5 | 166.5 | 0 | 110 | M77 V81 | M77-K79 PolarHBondContact O-N 3.21Å; K79-V81 PolarHBondContact O-N 3.24Å | ||
| 80 | K | 67 | Low | 54.7 | Low | 194 Ų | 194 | 158.8 Ų | 158.8 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -82.6 | 101.2 | 168.4 | -170.2 | 159.4 | 82.7 | 176.9 | 0 | 108.5 | K78 G82 | K78-K80 PolarHBondContact O-N 2.99Å; K78-K80 VanDerWaalsContact O-N 3.09Å; K80-G82 PolarHBondContact O-N 3.17Å | ||
| 81 | V | 57.8 | Low | 53.6 | Low | 105 Ų | 105 | 157.9 Ų | 157.9 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -72.3 | 114 | 167.3 | 174.8 | 0 | 0 | 0 | 0 | 107.7 | K79 K83 | K79-V81 PolarHBondContact O-N 3.24Å; V81-K83 PolarHBondContact O-N 3.09Å | ||
| 82 | G | 49.1 | Very low | 52.1 | Low | 64 Ų | 64 | 156 Ų | 156 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 111.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | K80 K84 | K80-G82 PolarHBondContact O-N 3.17Å; G82-K84 PolarHBondContact O-N 3.43Å | ||
| 83 | K | 60.4 | Low | 50.8 | Low | 198 Ų | 198 | 159.5 Ų | 159.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -68.4 | 112.3 | 163.8 | -70.5 | 175.4 | 174.3 | 179 | 0 | 107.9 | V81 | V81-K83 PolarHBondContact O-N 3.09Š| ||
| 84 | K | 56.7 | Low | 49.5 | Very low | 191 Ų | 191 | 158.9 Ų | 158.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -121.4 | 101.3 | 159.6 | -68.5 | -171.8 | -177.5 | -178.5 | 0 | 108.6 | G82 | G82-K84 PolarHBondContact O-N 3.43Š| ||
| 85 | Y | 44.4 | Very low | 48.2 | Very low | 214 Ų | 214 | 163 Ų | 163 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | 36.9 | 104.8 | 144 | -53.7 | -77.8 | 0 | 0 | 0 | 119.2 | K87 | Y85-K87 PolarHBondContact O-N 3.28Š| ||
| 86 | I | 49.5 | Very low | 47.4 | Very low | 179 Ų | 179 | 161.2 Ų | 161.2 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | trans | -69.7 | 109.5 | 149.1 | -60.4 | 162.5 | 0 | 0 | 0 | 106.7 | ||||
| 87 | K | 46.2 | Very low | 45.7 | Very low | 188 Ų | 188 | 163.2 Ų | 163.2 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -160.6 | 80.3 | 159.3 | -161.7 | 171.4 | -176.4 | 178.3 | 0 | 111.8 | Y85 | Y85-K87 PolarHBondContact O-N 3.28Š| ||
| 88 | A | 40.1 | Very low | 44.7 | Very low | 91 Ų | 91 | 159.5 Ų | 159.5 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -149.6 | 81.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||
| 89 | L | 35.7 | Very low | 43.2 | Very low | 164 Ų | 164 | 158.2 Ų | 158.2 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | 55.2 | 67.7 | 109.4 | -62.7 | 179.6 | 0 | 0 | 0 | 113.4 | |||||
| 90 | S | 35.1 | Very low | 41.5 | Very low | 106 Ų | 106 | 158.5 Ų | 158.5 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | -69.6 | 145.9 | 129.3 | 57.5 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 91 | E | 33.3 | Very low | 39.8 | Very low | 169 Ų | 169 | 153.9 Ų | 153.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -175 | 134.7 | 19.5 | 160.2 | 178.7 | -171.4 | 0 | 0 | 104.4 | ||||
| 92 | E | 32.2 | Very low | 38.8 | Very low | 193 Ų | 193 | 156.8 Ų | 156.8 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -152 | 134.4 | 142.5 | -143.5 | 172.7 | 170.2 | 0 | 0 | 109.1 | ||||
| 93 | K | 34.3 | Very low | 38.5 | Very low | 169 Ų | 169 | 159.3 Ų | 159.3 | 74% | 0.735 | 82% | 0.815 | S | S | * | * | trans | -49.5 | 159.9 | 171 | -72.3 | 162.3 | 158.9 | 168.9 | 0 | 110.5 | ||||
| 94 | E | 31.8 | Very low | 36.9 | Very low | 156 Ų | 156 | 159.3 Ų | 159.3 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | 177.9 | 144.2 | 54.9 | -159.7 | 157.2 | -154.1 | 0 | 0 | 108.5 | |||||
| 95 | E | 32.8 | Very low | 35.7 | Very low | 183 Ų | 183 | 158.6 Ų | 158.6 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | 66.3 | 139.1 | 150 | -77.9 | 175.9 | 173.8 | 0 | 0 | 124.6 | ||||
| 96 | E | 37.5 | Very low | 35.1 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -105 | 152.2 | -175.2 | -173.7 | -165.4 | 155.2 | 0 | 0 | 109.2 | ||||
| 97 | N | 31.3 | Very low | 34.3 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 84.5 | 128 | 152.5 | -148.3 | 19.8 | 0 | 0 | 0 | 118.7 | ||||
| 98 | G | 31.5 | Very low | 33.8 | Very low | 67 Ų | 67 | 149.3 Ų | 149.3 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 162.6 | 88.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 99 | E | 33.6 | Very low | 34.2 | Very low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -24.4 | 161.3 | 163.4 | 64.4 | -149.4 | 143.5 | 0 | 0 | 123 | ||||
| 100 | E | 31.8 | Very low | 33.8 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 96.8 | 133.9 | 150.3 | -77.7 | -168.2 | 161.6 | 0 | 0 | 123.3 | ||||
| 101 | A | 30 | Very low | 33.6 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | 95.3 | 101.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 102 | L | 37.7 | Very low | 33.6 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -71.3 | 158.5 | 148.3 | -53.8 | -178.5 | 0 | 0 | 0 | 109.2 | ||||
| 103 | P | 42.1 | Very low | 33.5 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | -155.4 | 153.1 | 81.4 | 41.6 | -21.3 | 0 | 0 | 0 | 117.9 | |||||
| 104 | Y | 26.5 | Very low | 33.4 | Very low | 197 Ų | 197 | 144 Ų | 144 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 62.8 | 121 | 134.5 | -100.1 | -130.7 | 0 | 0 | 0 | 124.5 | ||||
| 105 | R | 32.9 | Very low | 33.5 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | 78.1 | 122.8 | 126.4 | -64.2 | -77.9 | -102.7 | -150 | -10.3 | 122.6 | |||||
| 106 | N | 30.6 | Very low | 33.5 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | 46.9 | 126.1 | 124.7 | -57.1 | -10.7 | 0 | 0 | 0 | 119.6 | |||||
| 107 | S | 34.3 | Very low | 33.8 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | 164.1 | 122.5 | 103.5 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 108 | D | 34.5 | Very low | 33.9 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -73.3 | 159.7 | 144.1 | -134.7 | -7.3 | 0 | 0 | 0 | 106.7 | ||||
| 109 | P | 48 | Very low | 33.9 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | -160 | 175.8 | 51.5 | 45.2 | -22.5 | 0 | 0 | 0 | 118.3 | |||||
| 110 | M | 27.1 | Very low | 34.2 | Very low | 157 Ų | 157 | 141 Ų | 141 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 85.7 | 126.6 | 133.2 | -156.7 | 152.6 | 174.7 | 0 | 0 | 123.2 | ||||
| 111 | I | 32.2 | Very low | 34.4 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 70.9 | 140.3 | 148.4 | -108.7 | 82.4 | 0 | 0 | 0 | 118.4 | ||||
| 112 | G | 32 | Very low | 34.4 | Very low | 57 Ų | 57 | 139.4 Ų | 139.4 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | cis | 178.1 | 165.4 | 3.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 113 | T | 31.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | 73.4 | 127.5 | 143.6 | 49.8 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 114 | H | 31.2 | Very low | 34 | Very low | 171 Ų | 171 | 138 Ų | 138 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | 82.4 | 134.3 | 148.5 | 123 | -61.4 | 0 | 0 | 0 | 117.2 | ||||
| 115 | T | 34.7 | Very low | 34.4 | Very low | 105 Ų | 105 | 133 Ų | 133 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | cis | -155.9 | 143.2 | 12.5 | 21.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 116 | E | 32.4 | Very low | 35 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | 12.4 | 133.9 | 149.7 | -50.4 | -175.1 | 167.1 | 0 | 0 | 120.2 | ||||
| 117 | K | 43.3 | Very low | 35.3 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | -169.1 | 136.6 | 96.8 | -60.8 | -151.7 | -178 | 174.2 | 0 | 112.1 | |||||
| 118 | I | 35 | Very low | 35.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | trans | 66.4 | 137 | 151.6 | -92.3 | 80.6 | 0 | 0 | 0 | 116.8 | ||||
| 119 | S | 31.6 | Very low | 35.8 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 58% | 0.58 | 75% | 0.747 | S | S | * | * | cis | -176.6 | 120.9 | -15.7 | 165.8 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 120 | L | 38.8 | Very low | 35.2 | Very low | 143 Ų | 143 | 140 Ų | 140 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | 50.2 | 133.2 | 142.6 | -51.2 | 177.8 | 0 | 0 | 0 | 119.3 | ||||
| 121 | K | 35.3 | Very low | 36 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | cis | -170.4 | 134 | 3.7 | -100.5 | -65.6 | 174.4 | 175.1 | 0 | 104.3 | ||||
| 122 | A | 30 | Very low | 36.2 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | 66.4 | 143.7 | 90.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 123 | S | 37.3 | Very low | 36.6 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -171 | 162.5 | -3.9 | -88.9 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 124 | D | 34 | Very low | 36.6 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | 176.3 | 129.2 | 78 | -120.1 | -7.7 | 0 | 0 | 0 | 105.1 | |||||
| 125 | S | 35.5 | Very low | 37.2 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | 78.8 | 111.9 | 75.7 | -166.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 126 | M | 44.9 | Very low | 37.4 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | trans | 23.8 | 123.6 | 133 | -54.6 | -70.1 | -80.4 | 0 | 0 | 118.2 | ||||
| 127 | D | 37.4 | Very low | 37.9 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 178.6 | 114.5 | 134 | -103.6 | -58.7 | 0 | 0 | 0 | 107.4 | ||||
| 128 | S | 39.1 | Very low | 37.8 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | 101.6 | 139.9 | 89.8 | 75.4 | 0 | 0 | 0 | 0 | 112.4 | Y130 | S128-Y130 PolarHBondContact O-N 2.9Š| |||
| 129 | L | 39.7 | Very low | 38.4 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -67.2 | 123.2 | 179.5 | -65.7 | 158 | 0 | 0 | 0 | 109.6 | ||||
| 130 | Y | 36.1 | Very low | 38.8 | Very low | 225 Ų | 225 | 132.1 Ų | 132.1 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -132.2 | 115.5 | 155.4 | -132 | -95.6 | 0 | 0 | 0 | 109.1 | S128 G132 | S128-Y130 PolarHBondContact O-N 2.9Å; Y130-G132 PolarHBondContact O-N 3.38Å | ||
| 131 | S | 44.8 | Very low | 39.2 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -58.7 | 129.7 | 165.9 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 132 | G | 35.2 | Very low | 39.3 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -150.6 | 83.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110 | Y130 S134 | Y130-G132 PolarHBondContact O-N 3.38Å; G132-S134 PolarHBondContact O-N 3.23Å | ||
| 133 | Q | 39.8 | Very low | 39.9 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -42.3 | 125.3 | 169 | -168.5 | 154.1 | 18.4 | 0 | 0 | 112.5 | ||||
| 134 | S | 32.3 | Very low | 40.3 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -171 | 128.7 | 145.6 | -82.5 | 0 | 0 | 0 | 0 | 112.4 | G132 | G132-S134 PolarHBondContact O-N 3.23Š| ||
| 135 | S | 44 | Very low | 40.5 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -64.6 | 138 | 174.6 | -49.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 136 | S | 39.4 | Very low | 41.6 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -172.3 | 80.5 | 158.7 | 175.1 | 0 | 0 | 0 | 0 | 108.6 | G138 | S136-G138 PolarHBondContact O-N 3.07Š| ||
| 137 | S | 43.2 | Very low | 41.9 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -78.7 | 96.8 | 167.4 | 46.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 138 | G | 40.5 | Very low | 42.5 | Very low | 61 Ų | 61 | 128.5 Ų | 128.5 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | trans | -61.2 | 131.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S136 T140 | S136-G138 PolarHBondContact O-N 3.07Å; G138-T140 PolarHBondContact O-N 3.43Å | ||
| 139 | I | 46.6 | Very low | 43 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -69.9 | 106.5 | 172.2 | -46.3 | 160.5 | 0 | 0 | 0 | 106.1 | ||||
| 140 | T | 41.5 | Very low | 43.4 | Very low | 124 Ų | 124 | 132 Ų | 132 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -99.8 | 96 | 162.4 | 58.8 | 0 | 0 | 0 | 0 | 108.2 | G138 C142 | G138-T140 PolarHBondContact O-N 3.43Å; T140-C142 PolarHBondContact O-N 3.39Å | ||
| 141 | S | 46.2 | Very low | 43.9 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -53.2 | 122.4 | 156.4 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 142 | C | 37.3 | Very low | 43.9 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -146.4 | 91.8 | 158.8 | 45.4 | 0 | 0 | 0 | 0 | 108.2 | T140 | T140-C142 PolarHBondContact O-N 3.39Š| ||
| 143 | S | 43.4 | Very low | 44.4 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -68.7 | 155.4 | 154.1 | -167.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 144 | D | 45.1 | Very low | 45.2 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 101.1 | 93.9 | 162.2 | -50.3 | -15.8 | 0 | 0 | 0 | 116.8 | ||||
| 145 | G | 38.2 | Very low | 45.9 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -143.4 | 71.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S147 | G145-S147 PolarHBondContact O-N 3.38Š| ||
| 146 | T | 59.9 | Low | 46.2 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -65.5 | 116.1 | 164.8 | 62.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 147 | S | 50.8 | Low | 47.1 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -160.7 | 126.8 | 150.9 | 56.2 | 0 | 0 | 0 | 0 | 111 | G145 R149 | G145-S147 PolarHBondContact O-N 3.38Å; S147-R149 PolarHBondContact O-N 3.41Å | ||
| 148 | N | 49.8 | Very low | 48.1 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | trans | -51.8 | 114.5 | 176.3 | -56.4 | -47.4 | 0 | 0 | 0 | 110.7 | ||||
| 149 | R | 48.3 | Very low | 49.6 | Very low | 229 Ų | 229 | 135 Ų | 135 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -109.7 | 98.9 | 153.5 | -160.1 | -180 | 176.3 | -174 | -0.7 | 107.7 | S147 S151 | S147-R149 PolarHBondContact O-N 3.41Å; R149-S151 PolarHBondContact O-N 3.39Å | ||
| 150 | D | 48.1 | Very low | 51.2 | Low | 120 Ų | 120 | 130.6 Ų | 130.6 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | trans | -45 | 104.9 | 164.5 | -132.9 | -6.5 | 0 | 0 | 0 | 109.9 | F152 | D150-F152 VanDerWaalsContact OD1-CD2 3.32Å; D150-F152 WeakPolarHBondContact OD1-CD2 3.47Å; D150-F152 WeakPolarHBondContact OD1-CE2 3.17Å; D150-F152 WeakPolarHBondContact OD1-CZ 3.46Å; D150-F152 WeakPolarHBondContact OD2-CE2 3.31Å | ||
| 151 | S | 47.7 | Very low | 53.1 | Low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | trans | -133.3 | 77.5 | 163.5 | 63.7 | 0 | 0 | 0 | 0 | 108.1 | R149 R153 | R149-S151 PolarHBondContact O-N 3.39Å; S151-R153 PolarHBondContact O-N 3.36Å | ||
| 152 | F | 43.9 | Very low | 54.9 | Low | 179 Ų | 179 | 126 Ų | 126 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -60.6 | 76.3 | 154.1 | -51.4 | -71.4 | 0 | 0 | 0 | 108.8 | D150 | D150-F152 VanDerWaalsContact OD1-CD2 3.32Å; D150-F152 WeakPolarHBondContact OD1-CD2 3.47Å; D150-F152 WeakPolarHBondContact OD1-CE2 3.17Å; D150-F152 WeakPolarHBondContact OD1-CZ 3.46Å; D150-F152 WeakPolarHBondContact OD2-CE2 3.31Å | ||
| 153 | R | 47.1 | Very low | 57.3 | Low | 218 Ų | 218 | 125.7 Ų | 125.7 | 82% | 0.823 | 70% | 0.701 | S | S | * | * | trans | -90 | 100.4 | 154.3 | -74.4 | -164.5 | 169.3 | 159.6 | -1.3 | 105.9 | S151 | S151-R153 PolarHBondContact O-N 3.36Š| ||
| 154 | L | 55.8 | Low | 59.6 | Low | 162 Ų | 162 | 125.2 Ų | 125.2 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -41.9 | 137.3 | 150.9 | -85.7 | 151.3 | 0 | 0 | 0 | 108.6 | ||
| 155 | D | 47.8 | Very low | 61.8 | Low | 145 Ų | 145 | 120.6 Ų | 120.6 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | trans | 78.7 | 71.3 | -170.7 | -65.9 | -75.7 | 0 | 0 | 0 | 114.9 | ||||
| 156 | D | 50.4 | Low | 64.4 | Low | 127 Ų | 127 | 118.3 Ų | 118.3 | 68% | 0.679 | 64% | 0.642 | S | S | * | * | trans | -115.5 | 73 | 156 | -155.1 | 139.7 | 0 | 0 | 0 | 108.3 | S158 | D156-S158 PolarHBondContact O-N 3.27Å; D156-S158 WeakPolarHBondContact OD2-CA 3.41Å; D156-S158 WeakPolarHBondContact OD2-CB 3.33Å; D156-S158 PolarHBondContact OD2-N 2.79Å | ||
| 157 | D | 57.7 | Low | 66.1 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | trans | -74.9 | 20.3 | 160 | -93.3 | -40.8 | 0 | 0 | 0 | 110.3 | P159 | D157-P159 VanDerWaalsContact O-CD 3.23Å; D157-P159 WeakPolarHBondContact O-CD 3.28Å | ||
| 158 | S | 63.3 | Low | 68.2 | Low | 78 Ų | 78 | 110 Ų | 110 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -73.4 | 119.2 | 172.7 | -158.9 | 0 | 0 | 0 | 0 | 107.6 | D156 Y160 | D156-S158 PolarHBondContact O-N 3.27Å; D156-S158 WeakPolarHBondContact OD2-CA 3.41Å; D156-S158 WeakPolarHBondContact OD2-CB 3.33Å; D156-S158 PolarHBondContact OD2-N 2.79Å; S158-Y160 PolarHBondContact O-N 3.41Å |
| 159 | P | 73.6 | Confident | 70.5 | Confident | 59 Ų | 59 | 106.7 Ų | 106.7 | 38% | 0.383 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 130.7 | 172.2 | -20.2 | 32.4 | 0 | 0 | 0 | 108.1 | D157 S161 | D157-P159 VanDerWaalsContact O-CD 3.23Å; D157-P159 WeakPolarHBondContact O-CD 3.28Å; P159-S161 PolarHBondContact O-N 3.34Å; P159-S161 PolarHBondContact O-OG 2.9Å |
| 160 | Y | 80 | Confident | 72.8 | Confident | 76 Ų | 76 | 95.9 Ų | 95.9 | 30% | 0.298 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -50 | 117.1 | 177.1 | 168.8 | -91.9 | 0 | 0 | 0 | 109.6 | S158 G162 P163 F164 I195 V211 | S158-Y160 PolarHBondContact O-N 3.41Å; Y160-G162 VanDerWaalsContact CE1-CA 3.48Å; Y160-G162 WeakPolarHBondContact CE1-O 3.49Å; Y160-G162 WeakPolarHBondContact OH-CA 3.24Å; Y160-P163 WeakPolarHBondContact CE1-O 3.15Å; Y160-P163 PolarHBondContact OH-O 3.09Å; Y160-F164 HydrophobicContact CD1-CD1 4.45Å; Y160-F164 AromaticContact CD1-CE1 3.57Å; Y160-F164 HydrophobicContact CD1-CE1 3.57Å; Y160-F164 AromaticContact CD1-CZ 3.64Å; Y160-F164 HydrophobicContact CD1-CZ 3.64Å; Y160-F164 HydrophobicContact CE1-CD1 4.18Å; Y160-F164 AromaticContact CE1-CE1 3.73Å; Y160-F164 HydrophobicContact CE1-CE1 3.73Å; Y160-F164 HydrophobicContact CE1-CZ 4.02Å; Y160-I195 HydrophobicContact CD1-CD1 3.55Å; Y160-I195 HydrophobicContact CD1-CG1 3.83Å; Y160-I195 HydrophobicContact CD2-CD1 4.02Å; Y160-I195 HydrophobicContact CE1-CB 4.36Å; Y160-I195 HydrophobicContact CE1-CD1 3.72Å; Y160-I195 HydrophobicContact CE1-CG1 3.53Å; Y160-I195 HydrophobicContact CE1-CG2 4.07Å; Y160-I195 HydrophobicContact CE2-CD1 4.18Å; Y160-I195 HydrophobicContact CE2-CG2 3.98Å; Y160-I195 HydrophobicContact CG-CD1 3.7Å; Y160-I195 HydrophobicContact CG-CG1 4.45Å; Y160-I195 WeakPolarHBondContact OH-CG2 3.28Å; Y160-V211 VanDerWaalsContact CB-CG2 3.49Å; Y160-V211 HydrophobicContact CG-CG2 4.25Å |
| 161 | S | 80.6 | Confident | 75.1 | Confident | 114 Ų | 114 | 93.2 Ų | 93.2 | 80% | 0.797 | 50% | 0.496 | S | S | * | . | trans | -102.1 | 15 | -176.9 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | P159 | P159-S161 PolarHBondContact O-N 3.34Å; P159-S161 PolarHBondContact O-OG 2.9Å | ||
| 162 | G | 83.4 | Confident | 77.5 | Confident | 24 Ų | 24 | 91.3 Ų | 91.3 | 25% | 0.247 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -86.4 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y160 | Y160-G162 VanDerWaalsContact CE1-CA 3.48Å; Y160-G162 WeakPolarHBondContact CE1-O 3.49Å; Y160-G162 WeakPolarHBondContact OH-CA 3.24Å |
| 163 | P | 88.9 | Confident | 80 | Confident | 110 Ų | 110 | 87.8 Ų | 87.8 | 71% | 0.714 | 47% | 0.47 | S | S | * | . | trans | -68.2 | 150.6 | 179.6 | 28.6 | -34.5 | 0 | 0 | 0 | 111.7 | Y160 | Y160-P163 WeakPolarHBondContact CE1-O 3.15Å; Y160-P163 PolarHBondContact OH-O 3.09Å | ||
| 164 | F | 92.1 | Very high | 82.3 | Confident | 86 Ų | 86 | 80 Ų | 80 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | trans | -105.4 | 142.6 | 170.4 | -59.4 | -73.6 | 0 | 0 | 0 | 110 | Y160 D193 I194 I195 M206 | Y160-F164 HydrophobicContact CD1-CD1 4.45Å; Y160-F164 AromaticContact CD1-CE1 3.57Å; Y160-F164 HydrophobicContact CD1-CE1 3.57Å; Y160-F164 AromaticContact CD1-CZ 3.64Å; Y160-F164 HydrophobicContact CD1-CZ 3.64Å; Y160-F164 HydrophobicContact CE1-CD1 4.18Å; Y160-F164 AromaticContact CE1-CE1 3.73Å; Y160-F164 HydrophobicContact CE1-CE1 3.73Å; Y160-F164 HydrophobicContact CE1-CZ 4.02Å; F164-D193 HydrophobicContact CD1-CB 3.5Å; F164-D193 HydrophobicContact CD2-CB 4.48Å; F164-D193 HydrophobicContact CE1-CB 3.68Å; F164-D193 HydrophobicContact CG-CB 3.94Å; F164-D193 HydrophobicContact CZ-CB 4.28Å; F164-I194 CarbonylContact C-O 3.52Å; F164-I194 WeakPolarHBondContact CA-O 3.48Å; F164-I195 HydrophobicContact CD1-CG1 3.81Å; F164-I195 HydrophobicContact CE1-CD1 4.32Å; F164-I195 HydrophobicContact CE1-CG1 3.75Å; F164-M206 HydrophobicContact CE1-CB 4.08Å; F164-M206 HydrophobicContact CE1-CE 3.82Å; F164-M206 HydrophobicContact CE2-CE 4.18Å; F164-M206 HydrophobicContact CZ-CE 3.28Å; F164-M206 HydrophobicContact CZ-SD 4.2Å | ||
| 165 | C | 91.1 | Very high | 84.1 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | trans | -101 | 19.1 | 179.3 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | I194 I195 K197 | C165-I194 PolarHBondContact N-O 3.4Å; C165-I194 VanDerWaalsContact SG-CG2 3.55Å; C165-I194 PolarHBondContact SG-O 3.14Å; C165-I195 VanDerWaalsContact SG-C 3.58Å; C165-I195 PolarHBondContact SG-O 3.49Å; C165-I195 VanDerWaalsContact SG-O 3.38Å; C165-K197 WeakPolarHBondContact O-CE 3.42Å; C165-K197 PolarHBondContact O-NZ 3.11Å | ||
| 166 | G | 92.5 | Very high | 86.3 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 28% | 0.278 | 40% | 0.398 | S | S | . | . | trans | 134.3 | -178.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I194 | G166-I194 WeakPolarHBondContact O-CB 3.47Å; G166-I194 WeakPolarHBondContact O-CG1 3.14Å; G166-I194 PolarHBondContact O-N 3.39Å | ||
| 167 | R | 95.3 | Very high | 88.3 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 149.5 | 178.1 | -67 | -173.8 | -77.2 | 162.2 | -3.9 | 110.8 | I191 I192 D193 I222 E224 | R167-I191 HydrophobicContact CB-CG2 4.26Å; R167-I192 CarbonylContact C-O 3.49Å; R167-I192 WeakPolarHBondContact CA-O 3.31Å; R167-D193 WeakPolarHBondContact CG-OD1 3.46Å; R167-I222 PolarHBondContact O-N 3.09Å; R167-E224 IonicContact CZ-OE1 3.59Å; R167-E224 IonicContact NE-OE1 3.97Å; R167-E224 IonicContact NH2-OE1 2.61Å; R167-E224 PolarHBondContact NH2-OE1 3.46Å |
| 168 | A | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I191 I192 I194 V219 D220 | A168-I191 CarbonylContact O-C 3.58Å; A168-I191 WeakPolarHBondContact O-CA 3.34Å; A168-I192 PolarHBondContact N-O 3.02Å; A168-I192 PolarHBondContact O-N 2.82Å; A168-I194 HydrophobicContact CB-CD1 3.85Å; A168-I194 HydrophobicContact CB-CG1 4.09Å; A168-V219 HydrophobicContact CB-CB 3.82Å; A168-V219 HydrophobicContact CB-CG2 3.58Å; A168-D220 CarbonylContact C-O 3.44Å; A168-D220 VanDerWaalsContact CA-O 3.28Å; A168-D220 WeakPolarHBondContact CA-O 3.47Å |
| 169 | R | 96.9 | Very high | 91.3 | Very high | 101 Ų | 101 | 72.7 Ų | 72.7 | 38% | 0.381 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.3 | 174.1 | -173.1 | 163.2 | 58.4 | -137.2 | -3 | 109.3 | H171 D190 I191 V219 D220 I222 | R169-H171 PolarHBondContact O-N 2.97Å; R169-D190 WeakPolarHBondContact CA-O 3.18Å; R169-I191 HydrophobicContact CB-CD1 3.95Å; R169-I191 HydrophobicContact CG-CD1 3.87Å; R169-V219 CarbonylContact O-C 3.58Å; R169-V219 VanDerWaalsContact O-CA 3.27Å; R169-V219 WeakPolarHBondContact O-CA 3.49Å; R169-D220 PolarHBondContact N-O 3.21Å; R169-D220 PolarHBondContact O-N 2.85Å; R169-I222 HydrophobicContact CB-CD1 3.54Å; R169-I222 HydrophobicContact CB-CG1 3.74Å |
| 170 | V | 97.3 | Very high | 92 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.012 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.9 | 177 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | T172 I186 K187 K188 G189 D190 I192 V219 | V170-T172 WeakPolarHBondContact CG1-O 3.46Å; V170-I186 HydrophobicContact CG1-CB 4.11Å; V170-I186 HydrophobicContact CG1-CD1 3.96Å; V170-I186 HydrophobicContact CG1-CG1 4.1Å; V170-I186 HydrophobicContact CG2-CB 3.95Å; V170-I186 HydrophobicContact CG2-CD1 4.3Å; V170-I186 HydrophobicContact CG2-CG2 4.45Å; V170-K187 WeakPolarHBondContact CB-O 3.18Å; V170-K187 VanDerWaalsContact CG1-C 3.48Å; V170-K187 VanDerWaalsContact CG1-O 3.22Å; V170-K187 WeakPolarHBondContact CG1-O 3.42Å; V170-K188 CarbonylContact O-C 3.58Å; V170-K188 WeakPolarHBondContact O-CA 3.22Å; V170-G189 PolarHBondContact O-N 3.32Å; V170-D190 HydrophobicContact CB-CB 4.31Å; V170-D190 HydrophobicContact CG2-CB 3.95Å; V170-D190 WeakPolarHBondContact CG2-O 3.47Å; V170-D190 PolarHBondContact N-O 3.35Å; V170-I192 HydrophobicContact CG2-CD1 3.48Å; V170-I192 VanDerWaalsContact CG2-CD1 3.48Å; V170-I192 HydrophobicContact CG2-CG1 3.8Å; V170-V219 HydrophobicContact CB-CG1 4.44Å; V170-V219 HydrophobicContact CG2-CG1 3.91Å |
| 171 | H | 96.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 75 Ų | 75 | 30% | 0.296 | 42% | 0.419 | S | S | . | . | trans | -108.5 | -15.3 | 175.3 | 65.5 | 69.2 | 0 | 0 | 0 | 112.8 | R169 K188 I217 Y218 V219 D220 | R169-H171 PolarHBondContact O-N 2.97Å; H171-K188 WeakPolarHBondContact O-CD 3.44Å; H171-K188 WeakPolarHBondContact O-CG 3.08Å; H171-I217 PolarHBondContact CE1-O 2.87Å; H171-I217 PolarHBondContact NE2-O 2.8Å; H171-Y218 PolarHBondContact CD2-O 3.03Å; H171-Y218 PolarHBondContact N-O 2.93Å; H171-V219 VanDerWaalsContact CD2-C 3.45Å; H171-V219 PolarHBondContact CD2-N 2.73Å; H171-V219 PolarHBondContact NE2-N 3.15Å; H171-D220 IonicContact CD2-OD1 3.91Å; H171-D220 PolarHBondContact CD2-OD1 2.99Å; H171-D220 IonicContact CD2-OD2 3.59Å; H171-D220 PolarHBondContact CD2-OD2 3.19Å; H171-D220 IonicContact CG-OD2 2.93Å; H171-D220 IonicContact NE2-OD1 3.44Å | ||
| 172 | T | 97.3 | Very high | 93 | Very high | 54 Ų | 54 | 74.1 Ų | 74.1 | 33% | 0.331 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -130.2 | 129.1 | 179.8 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | V170 Y218 | V170-T172 WeakPolarHBondContact CG1-O 3.46Å; T172-Y218 HydrophobicContact CG2-CD1 3.66Å; T172-Y218 HydrophobicContact CG2-CE1 4.07Å; T172-Y218 HydrophobicContact CG2-CG 4.5Å; T172-Y218 PolarHBondContact N-O 3.36Å |
| 173 | D | 96.3 | Very high | 93.5 | Very high | 106 Ų | 106 | 74 Ų | 74 | 57% | 0.567 | 40% | 0.4 | S | S | * | . | trans | -64.6 | 135.7 | 174.8 | -61.5 | -7.8 | 0 | 0 | 0 | 111.1 | K187 K188 | D173-K187 WeakPolarHBondContact OD1-CA 3.26Å; D173-K188 WeakPolarHBondContact OD1-CB 3.43Å; D173-K188 PolarHBondContact OD1-N 3.12Å | ||
| 174 | F | 95.3 | Very high | 93.8 | Very high | 53 Ų | 53 | 69 Ų | 69 | 23% | 0.232 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -139.3 | 123.3 | 171 | 172.3 | -100.7 | 0 | 0 | 0 | 110.3 | P176 I186 Y218 | F174-P176 HydrophobicContact CE1-CB 3.91Å; F174-P176 HydrophobicContact CE1-CG 4.41Å; F174-P176 HydrophobicContact CZ-CB 4.14Å; F174-I186 HydrophobicContact CB-CD1 4.06Å; F174-I186 HydrophobicContact CB-CG1 3.66Å; F174-I186 HydrophobicContact CD1-CG1 4.44Å; F174-I186 PolarHBondContact N-O 3.02Å; F174-I186 PolarHBondContact O-N 2.86Å; F174-I186 VanDerWaalsContact O-O 3.04Å; F174-Y218 HydrophobicContact CB-CD2 4.04Å; F174-Y218 HydrophobicContact CB-CE2 4.09Å; F174-Y218 AromaticContact CD2-CE2 3.84Å; F174-Y218 HydrophobicContact CD2-CE2 3.84Å; F174-Y218 HydrophobicContact CE2-CE2 4.48Å; F174-Y218 HydrophobicContact CG-CD2 4.29Å; F174-Y218 AromaticContact CG-CE2 3.99Å; F174-Y218 HydrophobicContact CG-CE2 3.99Å |
| 175 | T | 94.6 | Very high | 93.9 | Very high | 93 Ų | 93 | 70.5 Ų | 70.5 | 57% | 0.571 | 37% | 0.374 | S | S | * | . | trans | -115.3 | 112.8 | 173.9 | -61.6 | 0 | 0 | 0 | 0 | 108.3 | K185 | T175-K185 HydrophobicContact CG2-CD 4.25Å; T175-K185 HydrophobicContact CG2-CG 4.47Å | ||
| 176 | P | 93.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 14% | 0.143 | 36% | 0.356 | C | S | . | . | trans | -68.4 | 166.7 | 178.8 | 28.5 | -34.2 | 0 | 0 | 0 | 111.6 | F174 D180 S183 K185 | F174-P176 HydrophobicContact CE1-CB 3.91Å; F174-P176 HydrophobicContact CE1-CG 4.41Å; F174-P176 HydrophobicContact CZ-CB 4.14Å; P176-D180 HydrophobicContact CB-CB 4.23Å; P176-S183 VanDerWaalsContact CB-CB 3.46Å; P176-K185 HydrophobicContact CG-CB 4.35Å | ||
| 177 | S | 92.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 72 Ų | 72 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | trans | -63.6 | 146.6 | 172.5 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | Y179 D180 | S177-Y179 PolarHBondContact O-N 3.05Å; S177-D180 WeakPolarHBondContact O-CB 3.38Å; S177-D180 PolarHBondContact O-N 3.16Å | ||
| 178 | P | 91.6 | Very high | 94.4 | Very high | 127 Ų | 127 | 75.3 Ų | 75.3 | 83% | 0.825 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -17.2 | 175.1 | -26.4 | 35.4 | 0 | 0 | 0 | 115.3 | ||
| 179 | Y | 92.6 | Very high | 94.4 | Very high | 207 Ų | 207 | 77.5 Ų | 77.5 | 81% | 0.812 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.6 | 177.6 | -57.4 | -77 | 0 | 0 | 0 | 113.6 | S177 T181 | S177-Y179 PolarHBondContact O-N 3.05Å; Y179-T181 PolarHBondContact O-N 3.43Å |
| 180 | D | 89.8 | Confident | 94.4 | Very high | 62 Ų | 62 | 74.8 Ų | 74.8 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | trans | -98.2 | 85.6 | -177.8 | -172.2 | 3.5 | 0 | 0 | 0 | 108.8 | P176 S177 D182 S183 | P176-D180 HydrophobicContact CB-CB 4.23Å; S177-D180 WeakPolarHBondContact O-CB 3.38Å; S177-D180 PolarHBondContact O-N 3.16Å; D180-D182 PolarHBondContact O-N 3.49Å; D180-S183 VanDerWaalsContact CG-CB 3.46Å; D180-S183 PolarHBondContact OD1-N 3.4Å; D180-S183 PolarHBondContact OD1-OG 2.88Å; D180-S183 WeakPolarHBondContact OD2-CB 3.4Å; D180-S183 PolarHBondContact OD2-OG 3.25Å | ||
| 181 | T | 89.4 | Confident | 94.3 | Very high | 120 Ų | 120 | 78 Ų | 78 | 74% | 0.736 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -69.3 | -24.2 | -178.7 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | Y179 | Y179-T181 PolarHBondContact O-N 3.43Š|
| 182 | D | 91.4 | Very high | 94.3 | Very high | 96 Ų | 96 | 75 Ų | 75 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -89.5 | -18.4 | -170.7 | -54.5 | -7.6 | 0 | 0 | 0 | 110.5 | D180 G212 N213 | D180-D182 PolarHBondContact O-N 3.49Å; D182-G212 CarbonylContact O-C 3.6Å; D182-G212 WeakPolarHBondContact O-CA 3.23Å; D182-N213 WeakPolarHBondContact CB-ND2 3.48Å; D182-N213 PolarHBondContact O-N 2.99Å; D182-N213 PolarHBondContact O-OD1 3.49Å |
| 183 | S | 94.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 74.9 Ų | 74.9 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -84.8 | 139.5 | -179.5 | -77 | 0 | 0 | 0 | 0 | 113.5 | P176 D180 N213 | P176-S183 VanDerWaalsContact CB-CB 3.46Å; D180-S183 VanDerWaalsContact CG-CB 3.46Å; D180-S183 PolarHBondContact OD1-N 3.4Å; D180-S183 PolarHBondContact OD1-OG 2.88Å; D180-S183 WeakPolarHBondContact OD2-CB 3.4Å; D180-S183 PolarHBondContact OD2-OG 3.25Å; S183-N213 WeakPolarHBondContact CA-O 3.12Å |
| 184 | L | 94.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 126.3 | 178.2 | -155.9 | 67.3 | 0 | 0 | 0 | 110.3 | I186 I192 L207 K210 N213 F214 | L184-I186 HydrophobicContact CB-CG2 4.06Å; L184-I186 HydrophobicContact CD2-CG2 3.88Å; L184-I186 HydrophobicContact CG-CG2 3.9Å; L184-I186 PolarHBondContact O-N 3.35Å; L184-I192 HydrophobicContact CD2-CD1 4.11Å; L184-I192 HydrophobicContact CD2-CG1 4.38Å; L184-I192 HydrophobicContact CD2-CG2 3.93Å; L184-L207 HydrophobicContact CD1-CB 4.09Å; L184-L207 HydrophobicContact CD2-CB 3.55Å; L184-L207 HydrophobicContact CD2-CD2 4.49Å; L184-L207 HydrophobicContact CG-CB 3.98Å; L184-K210 HydrophobicContact CD1-CB 4.12Å; L184-K210 WeakPolarHBondContact CD1-O 3.44Å; L184-N213 PolarHBondContact N-O 2.88Å; L184-F214 HydrophobicContact CB-CB 4.47Å; L184-F214 HydrophobicContact CD2-CD1 4.14Å |
| 185 | K | 95.1 | Very high | 94.2 | Very high | 116 Ų | 116 | 68.7 Ų | 68.7 | 50% | 0.504 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 116.2 | 169.8 | -178.3 | 177.3 | -178 | 175.8 | 0 | 109.1 | T175 P176 L207 | T175-K185 HydrophobicContact CG2-CD 4.25Å; T175-K185 HydrophobicContact CG2-CG 4.47Å; P176-K185 HydrophobicContact CG-CB 4.35Å; K185-L207 WeakPolarHBondContact O-CD2 3.21Å |
| 186 | I | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -125.4 | 143.3 | -172.7 | 62.4 | 173.4 | 0 | 0 | 0 | 110.1 | V170 F174 L184 I192 L207 F214 Y218 V219 | V170-I186 HydrophobicContact CG1-CB 4.11Å; V170-I186 HydrophobicContact CG1-CD1 3.96Å; V170-I186 HydrophobicContact CG1-CG1 4.1Å; V170-I186 HydrophobicContact CG2-CB 3.95Å; V170-I186 HydrophobicContact CG2-CD1 4.3Å; V170-I186 HydrophobicContact CG2-CG2 4.45Å; F174-I186 HydrophobicContact CB-CD1 4.06Å; F174-I186 HydrophobicContact CB-CG1 3.66Å; F174-I186 HydrophobicContact CD1-CG1 4.44Å; F174-I186 PolarHBondContact N-O 3.02Å; F174-I186 PolarHBondContact O-N 2.86Å; F174-I186 VanDerWaalsContact O-O 3.04Å; L184-I186 HydrophobicContact CB-CG2 4.06Å; L184-I186 HydrophobicContact CD2-CG2 3.88Å; L184-I186 HydrophobicContact CG-CG2 3.9Å; L184-I186 PolarHBondContact O-N 3.35Å; I186-I192 HydrophobicContact CB-CD1 4.34Å; I186-I192 HydrophobicContact CG2-CD1 3.56Å; I186-I192 HydrophobicContact CG2-CG1 4.41Å; I186-L207 HydrophobicContact CB-CD2 4.36Å; I186-L207 HydrophobicContact CG2-CD2 3.84Å; I186-F214 HydrophobicContact CD1-CB 4.19Å; I186-Y218 HydrophobicContact CD1-CD2 4.27Å; I186-Y218 HydrophobicContact CD1-CG 4.48Å; I186-V219 HydrophobicContact CD1-CG1 4.42Å |
| 187 | K | 96.8 | Very high | 94.2 | Very high | 116 Ų | 116 | 70.2 Ų | 70.2 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | trans | -122.9 | 149.8 | 173.8 | -63.4 | -178.7 | -179.7 | 178.2 | 0 | 110.1 | V170 D173 G189 D190 | V170-K187 WeakPolarHBondContact CB-O 3.18Å; V170-K187 VanDerWaalsContact CG1-C 3.48Å; V170-K187 VanDerWaalsContact CG1-O 3.22Å; V170-K187 WeakPolarHBondContact CG1-O 3.42Å; D173-K187 WeakPolarHBondContact OD1-CA 3.26Å; K187-G189 PolarHBondContact O-N 3.42Å; K187-D190 WeakPolarHBondContact CB-OD2 3.49Å; K187-D190 PolarHBondContact N-OD2 2.79Å; K187-D190 WeakPolarHBondContact O-CB 3.39Å; K187-D190 PolarHBondContact O-N 3.31Å | ||
| 188 | K | 96.8 | Very high | 94.2 | Very high | 150 Ų | 150 | 70.1 Ų | 70.1 | 65% | 0.652 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 123.6 | 174.3 | 179.8 | 177.3 | -176.1 | 178.1 | 0 | 109.6 | V170 H171 D173 | V170-K188 CarbonylContact O-C 3.58Å; V170-K188 WeakPolarHBondContact O-CA 3.22Å; H171-K188 WeakPolarHBondContact O-CD 3.44Å; H171-K188 WeakPolarHBondContact O-CG 3.08Å; D173-K188 WeakPolarHBondContact OD1-CB 3.43Å; D173-K188 PolarHBondContact OD1-N 3.12Å |
| 189 | G | 94.8 | Very high | 94 | Very high | 47 Ų | 47 | 70.1 Ų | 70.1 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -14.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V170 K187 | V170-G189 PolarHBondContact O-N 3.32Å; K187-G189 PolarHBondContact O-N 3.42Å |
| 190 | D | 96.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | trans | -66.2 | 147.7 | 174.4 | -66.4 | -12.5 | 0 | 0 | 0 | 110.4 | R169 V170 K187 L207 | R169-D190 WeakPolarHBondContact CA-O 3.18Å; V170-D190 HydrophobicContact CB-CB 4.31Å; V170-D190 HydrophobicContact CG2-CB 3.95Å; V170-D190 WeakPolarHBondContact CG2-O 3.47Å; V170-D190 PolarHBondContact N-O 3.35Å; K187-D190 WeakPolarHBondContact CB-OD2 3.49Å; K187-D190 PolarHBondContact N-OD2 2.79Å; K187-D190 WeakPolarHBondContact O-CB 3.39Å; K187-D190 PolarHBondContact O-N 3.31Å; D190-L207 HydrophobicContact CB-CD1 3.91Å; D190-L207 HydrophobicContact CB-CD2 3.98Å | ||
| 191 | I | 96.3 | Very high | 93.8 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.7 | 175.7 | -50.8 | -64.4 | 0 | 0 | 0 | 107.5 | R167 A168 R169 L207 I222 | R167-I191 HydrophobicContact CB-CG2 4.26Å; A168-I191 CarbonylContact O-C 3.58Å; A168-I191 WeakPolarHBondContact O-CA 3.34Å; R169-I191 HydrophobicContact CB-CD1 3.95Å; R169-I191 HydrophobicContact CG-CD1 3.87Å; I191-L207 WeakPolarHBondContact O-CD1 3.3Å; I191-I222 HydrophobicContact CD1-CD1 3.56Å; I191-I222 HydrophobicContact CG2-CD1 4.23Å |
| 192 | I | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.4 | -178.1 | -53.6 | 173.3 | 0 | 0 | 0 | 108.6 | R167 A168 V170 L184 I186 M206 L207 F214 V219 | R167-I192 CarbonylContact C-O 3.49Å; R167-I192 WeakPolarHBondContact CA-O 3.31Å; A168-I192 PolarHBondContact N-O 3.02Å; A168-I192 PolarHBondContact O-N 2.82Å; V170-I192 HydrophobicContact CG2-CD1 3.48Å; V170-I192 VanDerWaalsContact CG2-CD1 3.48Å; V170-I192 HydrophobicContact CG2-CG1 3.8Å; L184-I192 HydrophobicContact CD2-CD1 4.11Å; L184-I192 HydrophobicContact CD2-CG1 4.38Å; L184-I192 HydrophobicContact CD2-CG2 3.93Å; I186-I192 HydrophobicContact CB-CD1 4.34Å; I186-I192 HydrophobicContact CG2-CD1 3.56Å; I186-I192 HydrophobicContact CG2-CG1 4.41Å; I192-M206 WeakPolarHBondContact CG2-O 3.45Å; I192-L207 HydrophobicContact CG1-CB 4.28Å; I192-L207 HydrophobicContact CG1-CD1 4.39Å; I192-L207 HydrophobicContact CG1-CD2 4.36Å; I192-F214 HydrophobicContact CD1-CD1 4.13Å; I192-F214 HydrophobicContact CD1-CD2 4.27Å; I192-F214 HydrophobicContact CD1-CE1 4.2Å; I192-F214 HydrophobicContact CD1-CE2 4.37Å; I192-F214 HydrophobicContact CD1-CG 4.16Å; I192-F214 HydrophobicContact CD1-CZ 4.31Å; I192-F214 HydrophobicContact CG2-CD1 4.3Å; I192-F214 HydrophobicContact CG2-CE1 3.7Å; I192-F214 HydrophobicContact CG2-CZ 4.16Å; I192-V219 HydrophobicContact CD1-CG1 4.06Å |
| 193 | D | 95.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.6 | 169.2 | -59 | -45.6 | 0 | 0 | 0 | 108.7 | F164 R167 G205 M206 | F164-D193 HydrophobicContact CD1-CB 3.5Å; F164-D193 HydrophobicContact CD2-CB 4.48Å; F164-D193 HydrophobicContact CE1-CB 3.68Å; F164-D193 HydrophobicContact CG-CB 3.94Å; F164-D193 HydrophobicContact CZ-CB 4.28Å; R167-D193 WeakPolarHBondContact CG-OD1 3.46Å; D193-G205 CarbonylContact O-C 3.35Å; D193-G205 WeakPolarHBondContact O-CA 3.26Å; D193-M206 PolarHBondContact N-O 3.14Å; D193-M206 PolarHBondContact O-N 3.49Å |
| 194 | I | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.9 | -173.3 | -47.9 | 170.2 | 0 | 0 | 0 | 108.7 | F164 C165 G166 A168 K197 W203 V221 | F164-I194 CarbonylContact C-O 3.52Å; F164-I194 WeakPolarHBondContact CA-O 3.48Å; C165-I194 PolarHBondContact N-O 3.4Å; C165-I194 VanDerWaalsContact SG-CG2 3.55Å; C165-I194 PolarHBondContact SG-O 3.14Å; G166-I194 WeakPolarHBondContact O-CB 3.47Å; G166-I194 WeakPolarHBondContact O-CG1 3.14Å; G166-I194 PolarHBondContact O-N 3.39Å; A168-I194 HydrophobicContact CB-CD1 3.85Å; A168-I194 HydrophobicContact CB-CG1 4.09Å; I194-K197 HydrophobicContact CG2-CG 3.74Å; I194-W203 HydrophobicContact CD1-CE3 4.25Å; I194-W203 HydrophobicContact CD1-CZ3 4.06Å; I194-W203 HydrophobicContact CG2-CE3 4.37Å; I194-V221 HydrophobicContact CD1-CG2 4.49Å |
| 195 | I | 95.2 | Very high | 94.5 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -47.4 | 176.8 | -66.2 | 170.8 | 0 | 0 | 0 | 110 | Y160 F164 C165 T204 M206 V211 | Y160-I195 HydrophobicContact CD1-CD1 3.55Å; Y160-I195 HydrophobicContact CD1-CG1 3.83Å; Y160-I195 HydrophobicContact CD2-CD1 4.02Å; Y160-I195 HydrophobicContact CE1-CB 4.36Å; Y160-I195 HydrophobicContact CE1-CD1 3.72Å; Y160-I195 HydrophobicContact CE1-CG1 3.53Å; Y160-I195 HydrophobicContact CE1-CG2 4.07Å; Y160-I195 HydrophobicContact CE2-CD1 4.18Å; Y160-I195 HydrophobicContact CE2-CG2 3.98Å; Y160-I195 HydrophobicContact CG-CD1 3.7Å; Y160-I195 HydrophobicContact CG-CG1 4.45Å; Y160-I195 WeakPolarHBondContact OH-CG2 3.28Å; F164-I195 HydrophobicContact CD1-CG1 3.81Å; F164-I195 HydrophobicContact CE1-CD1 4.32Å; F164-I195 HydrophobicContact CE1-CG1 3.75Å; C165-I195 VanDerWaalsContact SG-C 3.58Å; C165-I195 PolarHBondContact SG-O 3.49Å; C165-I195 VanDerWaalsContact SG-O 3.38Å; I195-T204 PolarHBondContact N-O 3.12Å; I195-M206 HydrophobicContact CD1-CB 4.35Å; I195-V211 HydrophobicContact CD1-CB 4.45Å; I195-V211 HydrophobicContact CD1-CG1 3.78Å; I195-V211 HydrophobicContact CD1-CG2 3.86Å |
| 196 | C | 94.2 | Very high | 94.5 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 134.3 | -177.8 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | T204 | C196-T204 PolarHBondContact N-O 3.36Å; C196-T204 VanDerWaalsContact N-O 3.09Å; C196-T204 PolarHBondContact O-N 3.32Å; C196-T204 VanDerWaalsContact O-N 3.1Å |
| 197 | K | 94.3 | Very high | 94.4 | Very high | 86 Ų | 86 | 58.4 Ų | 58.4 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | trans | -106 | 106.2 | 175.5 | -65.7 | 174.7 | -170.3 | 164.9 | 0 | 109.7 | C165 I194 W203 | C165-K197 WeakPolarHBondContact O-CE 3.42Å; C165-K197 PolarHBondContact O-NZ 3.11Å; I194-K197 HydrophobicContact CG2-CG 3.74Å; K197-W203 HydrophobicContact CB-CD2 4.47Å; K197-W203 HydrophobicContact CB-CZ2 4.4Å; K197-W203 HydrophobicContact CD-CH2 4.48Å; K197-W203 HydrophobicContact CD-CZ2 4.49Å; K197-W203 HydrophobicContact CG-CD2 4.13Å; K197-W203 HydrophobicContact CG-CE3 4.36Å; K197-W203 HydrophobicContact CG-CH2 4.46Å; K197-W203 HydrophobicContact CG-CZ2 4.21Å | ||
| 198 | T | 93.4 | Very high | 94.1 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | trans | -75.3 | 138.9 | 165.8 | -45 | 0 | 0 | 0 | 0 | 108.9 | M200 M202 W203 | T198-M200 VanDerWaalsContact CG2-O 3.24Å; T198-M200 WeakPolarHBondContact CG2-O 3.44Å; T198-M200 PolarHBondContact O-N 3.39Å; T198-M202 VanDerWaalsContact CB-O 3.27Å; T198-M202 WeakPolarHBondContact CB-O 3.31Å; T198-M202 PolarHBondContact OG1-O 3.13Å; T198-W203 VanDerWaalsContact N-CD1 3.33Å; T198-W203 PolarHBondContact O-NE1 3.45Å | ||
| 199 | P | 87.4 | Confident | 93.8 | Very high | 127 Ų | 127 | 57.3 Ų | 57.3 | 83% | 0.825 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -61.1 | -18.3 | 179.1 | 23.4 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 200 | M | 86.3 | Confident | 93.6 | Very high | 143 Ų | 143 | 62.2 Ų | 62.2 | 70% | 0.704 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -151.2 | 143.8 | 175.7 | -160.3 | 68.8 | 65.4 | 0 | 0 | 110.3 | T198 F216 | T198-M200 VanDerWaalsContact CG2-O 3.24Å; T198-M200 WeakPolarHBondContact CG2-O 3.44Å; T198-M200 PolarHBondContact O-N 3.39Å; M200-F216 HydrophobicContact SD-CE1 4.39Å; M200-F216 HydrophobicContact SD-CZ 4.4Å |
| 201 | G | 91.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 98 | -112.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K215 F216 | G201-K215 WeakPolarHBondContact O-CG 3.47Å; G201-F216 VanDerWaalsContact O-CD1 3.24Å; G201-F216 WeakPolarHBondContact O-CD1 3.2Å |
| 202 | M | 94.3 | Very high | 93.4 | Very high | 102 Ų | 102 | 60.2 Ų | 60.2 | 50% | 0.502 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.8 | -174.4 | -57.1 | -59.5 | -165 | 0 | 0 | 110.7 | T198 F214 K215 | T198-M202 VanDerWaalsContact CB-O 3.27Å; T198-M202 WeakPolarHBondContact CB-O 3.31Å; T198-M202 PolarHBondContact OG1-O 3.13Å; M202-F214 CarbonylContact C-O 3.56Å; M202-F214 WeakPolarHBondContact CA-O 3.4Å; M202-K215 HydrophobicContact SD-CB 3.68Å; M202-K215 HydrophobicContact SD-CG 3.91Å |
| 203 | W | 96.7 | Very high | 93.4 | Very high | 30 Ų | 30 | 62.8 Ų | 62.8 | 11% | 0.114 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 157.1 | 168.7 | -69.8 | -1.5 | 0 | 0 | 0 | 109.5 | I194 K197 T198 N213 F214 F216 V219 V221 | I194-W203 HydrophobicContact CD1-CE3 4.25Å; I194-W203 HydrophobicContact CD1-CZ3 4.06Å; I194-W203 HydrophobicContact CG2-CE3 4.37Å; K197-W203 HydrophobicContact CB-CD2 4.47Å; K197-W203 HydrophobicContact CB-CZ2 4.4Å; K197-W203 HydrophobicContact CD-CH2 4.48Å; K197-W203 HydrophobicContact CD-CZ2 4.49Å; K197-W203 HydrophobicContact CG-CD2 4.13Å; K197-W203 HydrophobicContact CG-CE3 4.36Å; K197-W203 HydrophobicContact CG-CH2 4.46Å; K197-W203 HydrophobicContact CG-CZ2 4.21Å; T198-W203 VanDerWaalsContact N-CD1 3.33Å; T198-W203 PolarHBondContact O-NE1 3.45Å; W203-N213 CarbonylContact O-C 3.59Å; W203-N213 WeakPolarHBondContact O-CA 3.31Å; W203-F214 HydrophobicContact CB-CE1 4.1Å; W203-F214 HydrophobicContact CB-CE2 3.91Å; W203-F214 HydrophobicContact CB-CZ 3.71Å; W203-F214 AromaticContact CE3-CE2 3.91Å; W203-F214 HydrophobicContact CE3-CE2 3.91Å; W203-F214 HydrophobicContact CE3-CZ 4.03Å; W203-F214 PolarHBondContact N-O 3.39Å; W203-F214 PolarHBondContact O-N 3.28Å; W203-F216 HydrophobicContact CD2-CB 3.53Å; W203-F216 VanDerWaalsContact CE2-CB 3.4Å; W203-F216 HydrophobicContact CE3-CB 3.87Å; W203-F216 HydrophobicContact CG-CB 4.04Å; W203-F216 HydrophobicContact CH2-CB 3.97Å; W203-F216 HydrophobicContact CZ2-CB 3.66Å; W203-F216 HydrophobicContact CZ2-CG 4.25Å; W203-F216 HydrophobicContact CZ3-CB 4.07Å; W203-V219 HydrophobicContact CE3-CG2 4.33Å; W203-V219 HydrophobicContact CZ3-CG2 4.14Å; W203-V221 HydrophobicContact CH2-CG2 3.56Å; W203-V221 HydrophobicContact CZ3-CG2 3.62Å |
| 204 | T | 96 | Very high | 93.5 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.9 | 175.2 | -50.2 | 0 | 0 | 0 | 0 | 108 | I195 C196 V211 G212 | I195-T204 PolarHBondContact N-O 3.12Å; C196-T204 PolarHBondContact N-O 3.36Å; C196-T204 VanDerWaalsContact N-O 3.09Å; C196-T204 PolarHBondContact O-N 3.32Å; C196-T204 VanDerWaalsContact O-N 3.1Å; T204-V211 HydrophobicContact CG2-CG1 3.99Å; T204-G212 WeakPolarHBondContact CA-O 3.48Å |
| 205 | G | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D193 V211 G212 | D193-G205 CarbonylContact O-C 3.35Å; D193-G205 WeakPolarHBondContact O-CA 3.26Å; G205-V211 WeakPolarHBondContact O-CA 3.33Å; G205-G212 PolarHBondContact N-O 3.32Å; G205-G212 PolarHBondContact O-N 3.45Å |
| 206 | M | 95.1 | Very high | 93.5 | Very high | 24 Ų | 24 | 65.8 Ų | 65.8 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.4 | -177.8 | -171.9 | 174.3 | 68 | 0 | 0 | 110.1 | F164 I192 D193 I195 K210 V211 | F164-M206 HydrophobicContact CE1-CB 4.08Å; F164-M206 HydrophobicContact CE1-CE 3.82Å; F164-M206 HydrophobicContact CE2-CE 4.18Å; F164-M206 HydrophobicContact CZ-CE 3.28Å; F164-M206 HydrophobicContact CZ-SD 4.2Å; I192-M206 WeakPolarHBondContact CG2-O 3.45Å; D193-M206 PolarHBondContact N-O 3.14Å; D193-M206 PolarHBondContact O-N 3.49Å; I195-M206 HydrophobicContact CD1-CB 4.35Å; M206-K210 CarbonylContact C-O 3.54Å; M206-K210 VanDerWaalsContact CA-O 3.29Å; M206-K210 WeakPolarHBondContact CA-O 2.81Å; M206-V211 HydrophobicContact CB-CG2 4.28Å; M206-V211 HydrophobicContact CG-CG2 4.24Å |
| 207 | L | 94.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 66.2 Ų | 66.2 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 132.9 | 172.4 | 178.2 | 67.8 | 0 | 0 | 0 | 108.8 | L184 K185 I186 D190 I191 I192 N209 K210 | L184-L207 HydrophobicContact CD1-CB 4.09Å; L184-L207 HydrophobicContact CD2-CB 3.55Å; L184-L207 HydrophobicContact CD2-CD2 4.49Å; L184-L207 HydrophobicContact CG-CB 3.98Å; K185-L207 WeakPolarHBondContact O-CD2 3.21Å; I186-L207 HydrophobicContact CB-CD2 4.36Å; I186-L207 HydrophobicContact CG2-CD2 3.84Å; D190-L207 HydrophobicContact CB-CD1 3.91Å; D190-L207 HydrophobicContact CB-CD2 3.98Å; I191-L207 WeakPolarHBondContact O-CD1 3.3Å; I192-L207 HydrophobicContact CG1-CB 4.28Å; I192-L207 HydrophobicContact CG1-CD1 4.39Å; I192-L207 HydrophobicContact CG1-CD2 4.36Å; L207-N209 VanDerWaalsContact C-N 3.25Å; L207-N209 PolarHBondContact O-N 3.48Å; L207-K210 PolarHBondContact N-O 3.03Å; L207-K210 WeakPolarHBondContact O-CB 3.42Å; L207-K210 PolarHBondContact O-N 2.91Å |
| 208 | N | 90.9 | Very high | 93.6 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 66% | 0.663 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.9 | -178.7 | -57.5 | -42.2 | 0 | 0 | 0 | 112.6 | K210 | N208-K210 PolarHBondContact O-N 3.49Å; N208-K210 VanDerWaalsContact O-N 3.08Å |
| 209 | N | 90.2 | Very high | 93.7 | Very high | 119 Ų | 119 | 62.3 Ų | 62.3 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 12.8 | -176.4 | -61 | 77 | 0 | 0 | 0 | 115 | L207 | L207-N209 VanDerWaalsContact C-N 3.25Å; L207-N209 PolarHBondContact O-N 3.48Å |
| 210 | K | 91.7 | Very high | 94.1 | Very high | 151 Ų | 151 | 60.1 Ų | 60.1 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.4 | 173.8 | -63.2 | -168.4 | 176.2 | -162.3 | 0 | 109.8 | L184 M206 L207 N208 | L184-K210 HydrophobicContact CD1-CB 4.12Å; L184-K210 WeakPolarHBondContact CD1-O 3.44Å; M206-K210 CarbonylContact C-O 3.54Å; M206-K210 VanDerWaalsContact CA-O 3.29Å; M206-K210 WeakPolarHBondContact CA-O 2.81Å; L207-K210 PolarHBondContact N-O 3.03Å; L207-K210 WeakPolarHBondContact O-CB 3.42Å; L207-K210 PolarHBondContact O-N 2.91Å; N208-K210 PolarHBondContact O-N 3.49Å; N208-K210 VanDerWaalsContact O-N 3.08Å |
| 211 | V | 93.9 | Very high | 94.5 | Very high | 69 Ų | 69 | 57 Ų | 57 | 42% | 0.418 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.6 | 169.5 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | Y160 I195 T204 G205 M206 | Y160-V211 VanDerWaalsContact CB-CG2 3.49Å; Y160-V211 HydrophobicContact CG-CG2 4.25Å; I195-V211 HydrophobicContact CD1-CB 4.45Å; I195-V211 HydrophobicContact CD1-CG1 3.78Å; I195-V211 HydrophobicContact CD1-CG2 3.86Å; T204-V211 HydrophobicContact CG2-CG1 3.99Å; G205-V211 WeakPolarHBondContact O-CA 3.33Å; M206-V211 HydrophobicContact CB-CG2 4.28Å; M206-V211 HydrophobicContact CG-CG2 4.24Å |
| 212 | G | 94.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -176.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D182 T204 G205 | D182-G212 CarbonylContact O-C 3.6Å; D182-G212 WeakPolarHBondContact O-CA 3.23Å; T204-G212 WeakPolarHBondContact CA-O 3.48Å; G205-G212 PolarHBondContact N-O 3.32Å; G205-G212 PolarHBondContact O-N 3.45Å |
| 213 | N | 95.9 | Very high | 93.7 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.7 | -170.8 | -45.2 | -16.1 | 0 | 0 | 0 | 108.6 | D182 S183 L184 W203 | D182-N213 WeakPolarHBondContact CB-ND2 3.48Å; D182-N213 PolarHBondContact O-N 2.99Å; D182-N213 PolarHBondContact O-OD1 3.49Å; S183-N213 WeakPolarHBondContact CA-O 3.12Å; L184-N213 PolarHBondContact N-O 2.88Å; W203-N213 CarbonylContact O-C 3.59Å; W203-N213 WeakPolarHBondContact O-CA 3.31Å |
| 214 | F | 96 | Very high | 92 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 153.3 | 170.3 | 65.7 | -86.3 | 0 | 0 | 0 | 110.3 | L184 I186 I192 M202 W203 V219 | L184-F214 HydrophobicContact CB-CB 4.47Å; L184-F214 HydrophobicContact CD2-CD1 4.14Å; I186-F214 HydrophobicContact CD1-CB 4.19Å; I192-F214 HydrophobicContact CD1-CD1 4.13Å; I192-F214 HydrophobicContact CD1-CD2 4.27Å; I192-F214 HydrophobicContact CD1-CE1 4.2Å; I192-F214 HydrophobicContact CD1-CE2 4.37Å; I192-F214 HydrophobicContact CD1-CG 4.16Å; I192-F214 HydrophobicContact CD1-CZ 4.31Å; I192-F214 HydrophobicContact CG2-CD1 4.3Å; I192-F214 HydrophobicContact CG2-CE1 3.7Å; I192-F214 HydrophobicContact CG2-CZ 4.16Å; M202-F214 CarbonylContact C-O 3.56Å; M202-F214 WeakPolarHBondContact CA-O 3.4Å; W203-F214 HydrophobicContact CB-CE1 4.1Å; W203-F214 HydrophobicContact CB-CE2 3.91Å; W203-F214 HydrophobicContact CB-CZ 3.71Å; W203-F214 AromaticContact CE3-CE2 3.91Å; W203-F214 HydrophobicContact CE3-CE2 3.91Å; W203-F214 HydrophobicContact CE3-CZ 4.03Å; W203-F214 PolarHBondContact N-O 3.39Å; W203-F214 PolarHBondContact O-N 3.28Å; F214-V219 HydrophobicContact CD2-CG1 3.79Å; F214-V219 HydrophobicContact CD2-CG2 4.3Å; F214-V219 HydrophobicContact CE2-CB 4.37Å; F214-V219 HydrophobicContact CE2-CG1 3.78Å; F214-V219 HydrophobicContact CE2-CG2 3.61Å |
| 215 | K | 95.8 | Very high | 90 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 33% | 0.326 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.5 | 178.6 | -156.9 | 175.4 | 164.9 | -177.5 | 0 | 109.6 | G201 M202 I217 Y218 | G201-K215 WeakPolarHBondContact O-CG 3.47Å; M202-K215 HydrophobicContact SD-CB 3.68Å; M202-K215 HydrophobicContact SD-CG 3.91Å; K215-I217 HydrophobicContact CB-CG1 4.06Å; K215-I217 HydrophobicContact CD-CD1 3.56Å; K215-I217 HydrophobicContact CD-CG1 3.56Å; K215-I217 HydrophobicContact CD-CG2 4.49Å; K215-I217 VanDerWaalsContact CE-CD1 3.41Å; K215-I217 HydrophobicContact CG-CD1 4.31Å; K215-I217 HydrophobicContact CG-CG1 3.73Å; K215-I217 HydrophobicContact CG-CG2 4.37Å; K215-I217 PolarHBondContact O-N 2.97Å; K215-Y218 HydrophobicContact CB-CD2 3.74Å; K215-Y218 HydrophobicContact CB-CE2 3.66Å; K215-Y218 PolarHBondContact O-N 2.86Å |
| 216 | F | 94.6 | Very high | 87.8 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -59.4 | -22.3 | -178.6 | 77.4 | -93.5 | 0 | 0 | 0 | 113.1 | M200 G201 W203 Y218 V219 | M200-F216 HydrophobicContact SD-CE1 4.39Å; M200-F216 HydrophobicContact SD-CZ 4.4Å; G201-F216 VanDerWaalsContact O-CD1 3.24Å; G201-F216 WeakPolarHBondContact O-CD1 3.2Å; W203-F216 HydrophobicContact CD2-CB 3.53Å; W203-F216 VanDerWaalsContact CE2-CB 3.4Å; W203-F216 HydrophobicContact CE3-CB 3.87Å; W203-F216 HydrophobicContact CG-CB 4.04Å; W203-F216 HydrophobicContact CH2-CB 3.97Å; W203-F216 HydrophobicContact CZ2-CB 3.66Å; W203-F216 HydrophobicContact CZ2-CG 4.25Å; W203-F216 HydrophobicContact CZ3-CB 4.07Å; F216-Y218 PolarHBondContact O-N 3.41Å; F216-Y218 VanDerWaalsContact O-N 3.1Å; F216-V219 PolarHBondContact O-N 2.98Å; F216-V219 VanDerWaalsContact O-O 3.06Å |
| 217 | I | 95.9 | Very high | 85.6 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 36% | 0.359 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -67.4 | -6.4 | 177.7 | 72.7 | 165.2 | 0 | 0 | 0 | 114.4 | H171 K215 | H171-I217 PolarHBondContact CE1-O 2.87Å; H171-I217 PolarHBondContact NE2-O 2.8Å; K215-I217 HydrophobicContact CB-CG1 4.06Å; K215-I217 HydrophobicContact CD-CD1 3.56Å; K215-I217 HydrophobicContact CD-CG1 3.56Å; K215-I217 HydrophobicContact CD-CG2 4.49Å; K215-I217 VanDerWaalsContact CE-CD1 3.41Å; K215-I217 HydrophobicContact CG-CD1 4.31Å; K215-I217 HydrophobicContact CG-CG1 3.73Å; K215-I217 HydrophobicContact CG-CG2 4.37Å; K215-I217 PolarHBondContact O-N 2.97Å |
| 218 | Y | 96.2 | Very high | 83.1 | Confident | 56 Ų | 56 | 77 Ų | 77 | 22% | 0.22 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -101.8 | -3.8 | -179.9 | -59.3 | -41.5 | 0 | 0 | 0 | 112.8 | H171 T172 F174 I186 K215 F216 | H171-Y218 PolarHBondContact CD2-O 3.03Å; H171-Y218 PolarHBondContact N-O 2.93Å; T172-Y218 HydrophobicContact CG2-CD1 3.66Å; T172-Y218 HydrophobicContact CG2-CE1 4.07Å; T172-Y218 HydrophobicContact CG2-CG 4.5Å; T172-Y218 PolarHBondContact N-O 3.36Å; F174-Y218 HydrophobicContact CB-CD2 4.04Å; F174-Y218 HydrophobicContact CB-CE2 4.09Å; F174-Y218 AromaticContact CD2-CE2 3.84Å; F174-Y218 HydrophobicContact CD2-CE2 3.84Å; F174-Y218 HydrophobicContact CE2-CE2 4.48Å; F174-Y218 HydrophobicContact CG-CD2 4.29Å; F174-Y218 AromaticContact CG-CE2 3.99Å; F174-Y218 HydrophobicContact CG-CE2 3.99Å; I186-Y218 HydrophobicContact CD1-CD2 4.27Å; I186-Y218 HydrophobicContact CD1-CG 4.48Å; K215-Y218 HydrophobicContact CB-CD2 3.74Å; K215-Y218 HydrophobicContact CB-CE2 3.66Å; K215-Y218 PolarHBondContact O-N 2.86Å; F216-Y218 PolarHBondContact O-N 3.41Å; F216-Y218 VanDerWaalsContact O-N 3.1Å |
| 219 | V | 95.8 | Very high | 81.3 | Confident | 9 Ų | 9 | 77 Ų | 77 | 6% | 0.055 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149 | -172.7 | -46.4 | 0 | 0 | 0 | 0 | 111.7 | A168 R169 V170 H171 I186 I192 W203 F214 F216 | A168-V219 HydrophobicContact CB-CB 3.82Å; A168-V219 HydrophobicContact CB-CG2 3.58Å; R169-V219 CarbonylContact O-C 3.58Å; R169-V219 VanDerWaalsContact O-CA 3.27Å; R169-V219 WeakPolarHBondContact O-CA 3.49Å; V170-V219 HydrophobicContact CB-CG1 4.44Å; V170-V219 HydrophobicContact CG2-CG1 3.91Å; H171-V219 VanDerWaalsContact CD2-C 3.45Å; H171-V219 PolarHBondContact CD2-N 2.73Å; H171-V219 PolarHBondContact NE2-N 3.15Å; I186-V219 HydrophobicContact CD1-CG1 4.42Å; I192-V219 HydrophobicContact CD1-CG1 4.06Å; W203-V219 HydrophobicContact CE3-CG2 4.33Å; W203-V219 HydrophobicContact CZ3-CG2 4.14Å; F214-V219 HydrophobicContact CD2-CG1 3.79Å; F214-V219 HydrophobicContact CD2-CG2 4.3Å; F214-V219 HydrophobicContact CE2-CB 4.37Å; F214-V219 HydrophobicContact CE2-CG1 3.78Å; F214-V219 HydrophobicContact CE2-CG2 3.61Å; F216-V219 PolarHBondContact O-N 2.98Å; F216-V219 VanDerWaalsContact O-O 3.06Å |
| 220 | D | 95.2 | Very high | 79.2 | Confident | 82 Ų | 82 | 80.8 Ų | 80.8 | 44% | 0.439 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.9 | 169.1 | -62.6 | -47.4 | 0 | 0 | 0 | 108.3 | A168 R169 H171 I222 | A168-D220 CarbonylContact C-O 3.44Å; A168-D220 VanDerWaalsContact CA-O 3.28Å; A168-D220 WeakPolarHBondContact CA-O 3.47Å; R169-D220 PolarHBondContact N-O 3.21Å; R169-D220 PolarHBondContact O-N 2.85Å; H171-D220 IonicContact CD2-OD1 3.91Å; H171-D220 PolarHBondContact CD2-OD1 2.99Å; H171-D220 IonicContact CD2-OD2 3.59Å; H171-D220 PolarHBondContact CD2-OD2 3.19Å; H171-D220 IonicContact CG-OD2 2.93Å; H171-D220 IonicContact NE2-OD1 3.44Å; D220-I222 PolarHBondContact O-N 3.24Å |
| 221 | V | 94 | Very high | 76.6 | Confident | 77 Ų | 77 | 84 Ų | 84 | 47% | 0.467 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 124.7 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | I194 W203 | I194-V221 HydrophobicContact CD1-CG2 4.49Å; W203-V221 HydrophobicContact CH2-CG2 3.56Å; W203-V221 HydrophobicContact CZ3-CG2 3.62Å |
| 222 | I | 92 | Very high | 74.7 | Confident | 25 Ų | 25 | 88.3 Ų | 88.3 | 13% | 0.128 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 111.5 | 173.7 | -51 | 168.3 | 0 | 0 | 0 | 106.3 | R167 R169 I191 D220 E224 E226 | R167-I222 PolarHBondContact O-N 3.09Å; R169-I222 HydrophobicContact CB-CD1 3.54Å; R169-I222 HydrophobicContact CB-CG1 3.74Å; I191-I222 HydrophobicContact CD1-CD1 3.56Å; I191-I222 HydrophobicContact CG2-CD1 4.23Å; D220-I222 PolarHBondContact O-N 3.24Å; I222-E224 PolarHBondContact O-N 3.29Å; I222-E226 HydrophobicContact CG2-CB 4.38Å |
| 223 | S | 77.9 | Confident | 72.2 | Confident | 67 Ų | 67 | 97.5 Ų | 97.5 | 47% | 0.469 | 50% | 0.5 | S | S | . | . | trans | -62.8 | 130.2 | 158 | 44.8 | 0 | 0 | 0 | 0 | 107.9 | E225 E226 | S223-E225 PolarHBondContact O-N 2.76Å; S223-E226 PolarHBondContact O-N 3.27Å | ||
| 224 | E | 61.1 | Low | 69.8 | Low | 143 Ų | 143 | 99.5 Ų | 99.5 | 67% | 0.668 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -46.8 | -18 | -173.8 | -172.1 | 121.6 | -128.5 | 0 | 0 | 115.4 | R167 I222 E226 | R167-E224 IonicContact CZ-OE1 3.59Å; R167-E224 IonicContact NE-OE1 3.97Å; R167-E224 IonicContact NH2-OE1 2.61Å; R167-E224 PolarHBondContact NH2-OE1 3.46Å; I222-E224 PolarHBondContact O-N 3.29Å; E224-E226 PolarHBondContact O-N 3.12Å |
| 225 | E | 54.8 | Low | 67.2 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -66.5 | -20.8 | 177.3 | -162.8 | -175.6 | 157.8 | 0 | 0 | 115.8 | S223 A227 K239 | S223-E225 PolarHBondContact O-N 2.76Å; E225-A227 PolarHBondContact O-N 3.49Å; E225-K239 IonicContact OE2-NZ 2.82Å; E225-K239 PolarHBondContact OE2-NZ 3.31Å |
| 226 | E | 49.2 | Very low | 64.9 | Low | 130 Ų | 130 | 114.3 Ų | 114.3 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -97.1 | 34.3 | -169.7 | -81.6 | -148.2 | 156.9 | 0 | 0 | 116.7 | I222 S223 E224 A228 | I222-E226 HydrophobicContact CG2-CB 4.38Å; S223-E226 PolarHBondContact O-N 3.27Å; E224-E226 PolarHBondContact O-N 3.12Å; E226-A228 VanDerWaalsContact C-N 3.3Å; E226-A228 PolarHBondContact O-N 3.01Å |
| 227 | A | 48.1 | Very low | 62.7 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -79.3 | 4.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E225 | E225-A227 PolarHBondContact O-N 3.49Š|
| 228 | A | 41.5 | Very low | 60.5 | Low | 89 Ų | 89 | 117.7 Ų | 117.7 | 74% | 0.736 | 62% | 0.623 | S | S | * | * | trans | -145.8 | 108 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | E226 K230 | E226-A228 VanDerWaalsContact C-N 3.3Å; E226-A228 PolarHBondContact O-N 3.01Å; A228-K230 PolarHBondContact O-N 2.91Å | ||
| 229 | P | 53.3 | Low | 58 | Low | 125 Ų | 125 | 120 Ų | 120 | 81% | 0.812 | 63% | 0.634 | S | S | * | * | trans | -89.4 | 86.1 | 177.3 | 34.3 | -30.2 | 0 | 0 | 0 | 110.2 | ||||
| 230 | K | 45.3 | Very low | 55.6 | Low | 198 Ų | 198 | 127.4 Ų | 127.4 | 86% | 0.861 | 66% | 0.661 | S | S | * | * | trans | -143.8 | 100.3 | 164.4 | -75.2 | -164.9 | -176.9 | 170.9 | 0 | 114.4 | A228 | A228-K230 PolarHBondContact O-N 2.91Š| ||
| 231 | R | 38.3 | Very low | 53.5 | Low | 219 Ų | 219 | 128.4 Ų | 128.4 | 83% | 0.826 | 66% | 0.663 | S | S | * | * | trans | 90.1 | 114.8 | 141.2 | -48.7 | -144.5 | 72.3 | 166.7 | 1.9 | 118.6 | K233 | R231-K233 PolarHBondContact O-N 3.48Å; R231-K233 VanDerWaalsContact O-N 3.16Å | ||
| 232 | I | 52.7 | Low | 51.5 | Low | 159 Ų | 159 | 129.8 Ų | 129.8 | 82% | 0.815 | 68% | 0.676 | S | S | * | * | trans | -3.5 | 100.8 | 140.2 | -51.8 | 164.7 | 0 | 0 | 0 | 113.1 | ||||
| 233 | K | 43.4 | Very low | 49.4 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | -160.2 | 137.3 | 142 | -103.1 | 169.5 | -173.9 | -175.1 | 0 | 107.5 | R231 Q235 | R231-K233 PolarHBondContact O-N 3.48Å; R231-K233 VanDerWaalsContact O-N 3.16Å; K233-Q235 PolarHBondContact O-N 3.15Å | ||
| 234 | A | 44.4 | Very low | 48.7 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | -40.7 | 115.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114 | R236 | A234-R236 PolarHBondContact O-N 3.18Š| ||
| 235 | Q | 42.1 | Very low | 49.7 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 76% | 0.757 | 68% | 0.684 | S | S | * | * | trans | -63.7 | 88.1 | 160.2 | -81.3 | -99.6 | -28.4 | 0 | 0 | 107.7 | K233 S237 | K233-Q235 PolarHBondContact O-N 3.15Å; Q235-S237 PolarHBondContact O-N 3.36Å | ||
| 236 | R | 47 | Very low | 51.3 | Low | 227 Ų | 227 | 125.8 Ų | 125.8 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | trans | -74.3 | 104 | 155.9 | -85 | -169.2 | 158.4 | 132.5 | -2.3 | 106.5 | A234 | A234-R236 PolarHBondContact O-N 3.18Š| ||
| 237 | S | 49.1 | Very low | 53.1 | Low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 43.6 | 92.9 | 144.6 | 59.8 | 0 | 0 | 0 | 0 | 116.9 | Q235 | Q235-S237 PolarHBondContact O-N 3.36Š|
| 238 | S | 48.2 | Very low | 55.1 | Low | 103 Ų | 103 | 126.6 Ų | 126.6 | 72% | 0.72 | 65% | 0.652 | S | S | * | * | trans | -163.3 | 30.2 | 156.7 | -161.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 239 | K | 45.6 | Very low | 57.4 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 46% | 0.457 | 62% | 0.618 | S | S | . | * | trans | -119.1 | 77 | 170 | -157.4 | 150 | -164.2 | 169.5 | 0 | 108.9 | E225 E241 | E225-K239 IonicContact OE2-NZ 2.82Å; E225-K239 PolarHBondContact OE2-NZ 3.31Å; K239-E241 VanDerWaalsContact CE-CD 3.42Å; K239-E241 VanDerWaalsContact CE-OE1 3.32Å; K239-E241 WeakPolarHBondContact CE-OE1 3.33Å; K239-E241 WeakPolarHBondContact CE-OE2 3.37Å; K239-E241 IonicContact NZ-OE2 3.44Å | ||
| 240 | R | 44.3 | Very low | 59.2 | Low | 163 Ų | 163 | 116.6 Ų | 116.6 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | trans | -111.2 | 49 | 164.1 | -65.2 | -169.6 | -170.6 | 172.7 | 4.1 | 108.4 | S242 | R240-S242 PolarHBondContact O-N 3.21Š| ||
| 241 | E | 50.2 | Low | 61.3 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 49% | 0.486 | 56% | 0.563 | S | S | . | * | trans | -70.6 | 117.7 | 167.9 | -77.8 | 151.4 | -140.1 | 0 | 0 | 108.4 | K239 | K239-E241 VanDerWaalsContact CE-CD 3.42Å; K239-E241 VanDerWaalsContact CE-OE1 3.32Å; K239-E241 WeakPolarHBondContact CE-OE1 3.33Å; K239-E241 WeakPolarHBondContact CE-OE2 3.37Å; K239-E241 IonicContact NZ-OE2 3.44Å | ||
| 242 | S | 53.9 | Low | 63.7 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 73% | 0.734 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 69.7 | 127.7 | 160.3 | 72.7 | 0 | 0 | 0 | 0 | 118.4 | R240 | R240-S242 PolarHBondContact O-N 3.21Š|
| 243 | T | 46.4 | Very low | 65.5 | Low | 125 Ų | 125 | 99.5 Ų | 99.5 | 77% | 0.767 | 51% | 0.509 | S | S | * | . | trans | 76.6 | 49.9 | 177.8 | 87.2 | 0 | 0 | 0 | 0 | 117 | T245 | T243-T245 PolarHBondContact O-N 2.72Š| ||
| 244 | K | 62.7 | Low | 67.6 | Low | 49 Ų | 49 | 97.5 Ų | 97.5 | 21% | 0.213 | 50% | 0.502 | C | S | . | . | trans | -71.4 | 111.3 | 151.7 | -62.1 | 177.4 | -163.7 | 171.6 | 0 | 106.5 | F249 L270 | K244-F249 HydrophobicContact CB-CB 4.44Å; K244-L270 HydrophobicContact CB-CD1 4.24Å; K244-L270 VanDerWaalsContact O-CD1 3.26Å; K244-L270 WeakPolarHBondContact O-CD1 3.37Å | ||
| 245 | T | 83.8 | Confident | 69.9 | Low | 75 Ų | 75 | 93 Ų | 93 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | trans | -58.3 | 152.1 | 164.7 | 56.8 | 0 | 0 | 0 | 0 | 108.7 | T243 Q247 E248 F249 | T243-T245 PolarHBondContact O-N 2.72Å; T245-Q247 PolarHBondContact O-N 3.43Å; T245-E248 PolarHBondContact N-OE2 3.36Å; T245-E248 PolarHBondContact O-N 3.17Å; T245-E248 WeakPolarHBondContact OG1-CG 3.39Å; T245-E248 PolarHBondContact OG1-N 3.35Å; T245-E248 PolarHBondContact OG1-OE2 3.19Å; T245-F249 PolarHBondContact O-N 3.27Å | ||
| 246 | L | 87.7 | Confident | 72.2 | Confident | 21 Ų | 21 | 89.3 Ų | 89.3 | 11% | 0.11 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -51.6 | -35 | 177.3 | 177.5 | 136.4 | 0 | 0 | 0 | 111.5 | L250 Y267 L273 | L246-L250 HydrophobicContact CD2-CD1 3.7Å; L246-L250 HydrophobicContact CG-CD1 4.31Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 2.84Å; L246-Y267 VanDerWaalsContact CD1-O 3.31Å; L246-Y267 WeakPolarHBondContact CD1-O 3.23Å; L246-L273 HydrophobicContact CD1-CD1 3.96Å; L246-L273 HydrophobicContact CD1-CD2 4.49Å; L246-L273 HydrophobicContact CD1-CG 4.24Å; L246-L273 HydrophobicContact CG-CD1 4.49Å |
| 247 | Q | 87.8 | Confident | 74.3 | Confident | 140 Ų | 140 | 84.9 Ų | 84.9 | 65% | 0.654 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.9 | -47.8 | 174.4 | -175.4 | 173.5 | -17.2 | 0 | 0 | 113.4 | T245 F249 L250 E251 | T245-Q247 PolarHBondContact O-N 3.43Å; Q247-F249 VanDerWaalsContact C-N 3.32Å; Q247-F249 PolarHBondContact O-N 3.21Å; Q247-L250 PolarHBondContact O-N 3.21Å; Q247-E251 PolarHBondContact O-N 3.15Å |
| 248 | E | 88.6 | Confident | 76.3 | Confident | 95 Ų | 95 | 81 Ų | 81 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 177.7 | -72.9 | 163.3 | 156.4 | 0 | 0 | 112.1 | T245 E251 Q252 | T245-E248 PolarHBondContact N-OE2 3.36Å; T245-E248 PolarHBondContact O-N 3.17Å; T245-E248 WeakPolarHBondContact OG1-CG 3.39Å; T245-E248 PolarHBondContact OG1-N 3.35Å; T245-E248 PolarHBondContact OG1-OE2 3.19Å; E248-E251 PolarHBondContact O-N 3.46Å; E248-Q252 PolarHBondContact O-N 3.31Å |
| 249 | F | 90.5 | Very high | 78.3 | Confident | 3 Ų | 3 | 77.7 Ų | 77.7 | 1% | 0.013 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 173.1 | 169.2 | -102.6 | 0 | 0 | 0 | 111.3 | K244 T245 Q247 E251 Q252 I253 L270 L273 A298 L302 | K244-F249 HydrophobicContact CB-CB 4.44Å; T245-F249 PolarHBondContact O-N 3.27Å; Q247-F249 VanDerWaalsContact C-N 3.32Å; Q247-F249 PolarHBondContact O-N 3.21Å; F249-E251 PolarHBondContact O-N 3.2Å; F249-Q252 WeakPolarHBondContact O-CB 2.86Å; F249-Q252 PolarHBondContact O-N 3.26Å; F249-Q252 VanDerWaalsContact O-N 3.17Å; F249-I253 HydrophobicContact CD1-CD1 4.27Å; F249-I253 HydrophobicContact CE1-CD1 3.7Å; F249-I253 HydrophobicContact CE2-CG2 4.47Å; F249-I253 HydrophobicContact CZ-CD1 3.93Å; F249-I253 PolarHBondContact O-N 2.95Å; F249-L270 HydrophobicContact CB-CD2 3.77Å; F249-L270 HydrophobicContact CD1-CD2 4.17Å; F249-L270 HydrophobicContact CD2-CD2 4.48Å; F249-L270 HydrophobicContact CG-CD2 3.89Å; F249-L273 HydrophobicContact CD1-CD1 3.81Å; F249-L273 HydrophobicContact CE1-CD1 3.71Å; F249-A298 HydrophobicContact CE2-CB 3.79Å; F249-A298 HydrophobicContact CZ-CB 3.71Å; F249-L302 HydrophobicContact CD2-CD1 3.72Å; F249-L302 HydrophobicContact CD2-CD2 4.45Å; F249-L302 HydrophobicContact CD2-CG 4.37Å; F249-L302 HydrophobicContact CE2-CD1 3.52Å; F249-L302 HydrophobicContact CE2-CD2 4.49Å; F249-L302 HydrophobicContact CE2-CG 4.02Å; F249-L302 HydrophobicContact CG-CD1 4.48Å; F249-L302 HydrophobicContact CZ-CD1 4.15Å |
| 250 | L | 90.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 176.3 | -70.7 | 172.3 | 0 | 0 | 0 | 112 | L246 Q247 I253 H254 L255 S259 L262 L295 | L246-L250 HydrophobicContact CD2-CD1 3.7Å; L246-L250 HydrophobicContact CG-CD1 4.31Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 2.84Å; Q247-L250 PolarHBondContact O-N 3.21Å; L250-I253 HydrophobicContact CD2-CD1 4.08Å; L250-I253 WeakPolarHBondContact O-CG1 3.49Å; L250-I253 PolarHBondContact O-N 3.3Å; L250-H254 PolarHBondContact O-N 2.98Å; L250-H254 VanDerWaalsContact O-N 3.15Å; L250-L255 HydrophobicContact CD2-CB 4.13Å; L250-L255 PolarHBondContact O-N 3.49Å; L250-S259 VanDerWaalsContact CD1-CA 3.48Å; L250-L262 HydrophobicContact CD1-CD1 3.82Å; L250-L262 HydrophobicContact CD2-CD1 3.83Å; L250-L262 HydrophobicContact CG-CD1 4.43Å; L250-L295 HydrophobicContact CD2-CD1 4.29Å |
| 251 | E | 89.9 | Confident | 82.9 | Confident | 113 Ų | 113 | 71.5 Ų | 71.5 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 173.5 | 178 | 166.8 | -151.4 | 0 | 0 | 113 | Q247 E248 F249 I253 H254 Q256 | Q247-E251 PolarHBondContact O-N 3.15Å; E248-E251 PolarHBondContact O-N 3.46Å; F249-E251 PolarHBondContact O-N 3.2Å; E251-I253 PolarHBondContact O-N 2.88Å; E251-H254 PolarHBondContact O-N 3.01Å; E251-Q256 HydrophobicContact CB-CG 3.94Å; E251-Q256 HydrophobicContact CG-CG 4.45Å |
| 252 | Q | 87.9 | Confident | 84.8 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 175.7 | 172 | 178.8 | -20 | 0 | 0 | 112.3 | E248 F249 | E248-Q252 PolarHBondContact O-N 3.31Å; F249-Q252 WeakPolarHBondContact O-CB 2.86Å; F249-Q252 PolarHBondContact O-N 3.26Å; F249-Q252 VanDerWaalsContact O-N 3.17Å |
| 253 | I | 90.9 | Very high | 86.6 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 6.4 | -177.6 | 67.4 | -177.7 | 0 | 0 | 0 | 113.2 | F249 L250 E251 L255 L295 A298 | F249-I253 HydrophobicContact CD1-CD1 4.27Å; F249-I253 HydrophobicContact CE1-CD1 3.7Å; F249-I253 HydrophobicContact CE2-CG2 4.47Å; F249-I253 HydrophobicContact CZ-CD1 3.93Å; F249-I253 PolarHBondContact O-N 2.95Å; L250-I253 HydrophobicContact CD2-CD1 4.08Å; L250-I253 WeakPolarHBondContact O-CG1 3.49Å; L250-I253 PolarHBondContact O-N 3.3Å; E251-I253 PolarHBondContact O-N 2.88Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L255 HydrophobicContact CD1-CB 4.18Å; I253-L255 HydrophobicContact CD1-CD1 3.69Å; I253-L255 HydrophobicContact CD1-CG 4.24Å; I253-L255 HydrophobicContact CG1-CB 3.88Å; I253-L255 HydrophobicContact CG1-CD1 3.95Å; I253-L255 HydrophobicContact CG1-CG 3.96Å; I253-L255 PolarHBondContact O-N 3.42Å; I253-L295 HydrophobicContact CD1-CB 4.43Å; I253-L295 HydrophobicContact CD1-CG 4.39Å; I253-A298 HydrophobicContact CD1-CB 4.43Å; I253-A298 HydrophobicContact CG2-CB 3.44Å; I253-A298 VanDerWaalsContact CG2-CB 3.44Å |
| 254 | H | 88.6 | Confident | 88.8 | Confident | 152 Ų | 152 | 67.6 Ų | 67.6 | 70% | 0.704 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 35.9 | -178.4 | -60.7 | -83.1 | 0 | 0 | 0 | 114.5 | L250 E251 | L250-H254 PolarHBondContact O-N 2.98Å; L250-H254 VanDerWaalsContact O-N 3.15Å; E251-H254 PolarHBondContact O-N 3.01Å |
| 255 | L | 91.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | trans | -118.1 | 34.4 | 179.6 | -66.5 | 178.2 | 0 | 0 | 0 | 112.2 | L250 I253 E257 Y258 D291 R294 L295 | L250-L255 HydrophobicContact CD2-CB 4.13Å; L250-L255 PolarHBondContact O-N 3.49Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L255 HydrophobicContact CD1-CB 4.18Å; I253-L255 HydrophobicContact CD1-CD1 3.69Å; I253-L255 HydrophobicContact CD1-CG 4.24Å; I253-L255 HydrophobicContact CG1-CB 3.88Å; I253-L255 HydrophobicContact CG1-CD1 3.95Å; I253-L255 HydrophobicContact CG1-CG 3.96Å; I253-L255 PolarHBondContact O-N 3.42Å; L255-E257 PolarHBondContact O-N 2.77Å; L255-Y258 HydrophobicContact CB-CD2 4.01Å; L255-Y258 HydrophobicContact CD2-CD2 3.79Å; L255-Y258 HydrophobicContact CD2-CE2 3.63Å; L255-Y258 HydrophobicContact CG-CD2 4.42Å; L255-Y258 PolarHBondContact O-N 3.36Å; L255-D291 HydrophobicContact CD1-CB 4.44Å; L255-D291 WeakPolarHBondContact CD1-O 3.27Å; L255-D291 HydrophobicContact CD2-CB 3.6Å; L255-D291 VanDerWaalsContact CD2-CG 3.5Å; L255-D291 WeakPolarHBondContact CD2-OD1 3.43Å; L255-R294 HydrophobicContact CD1-CB 4.17Å; L255-L295 HydrophobicContact CD1-CB 3.86Å; L255-L295 HydrophobicContact CD1-CD1 4.41Å | ||
| 256 | Q | 90.7 | Very high | 90.4 | Very high | 83 Ų | 83 | 68.4 Ų | 68.4 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -63.2 | -26 | -176.5 | -52.1 | 93.3 | -13.8 | 0 | 0 | 112.8 | E251 Y258 S259 | E251-Q256 HydrophobicContact CB-CG 3.94Å; E251-Q256 HydrophobicContact CG-CG 4.45Å; Q256-Y258 PolarHBondContact O-N 3.25Å; Q256-S259 VanDerWaalsContact O-CB 3.23Å; Q256-S259 WeakPolarHBondContact O-CB 3.29Å; Q256-S259 PolarHBondContact O-N 3.05Å; Q256-S259 PolarHBondContact O-OG 3.03Å |
| 257 | E | 90.8 | Very high | 90.6 | Very high | 134 Ų | 134 | 69.5 Ų | 69.5 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -63.6 | -27.6 | 179.5 | 63.7 | -173.9 | -167.8 | 0 | 0 | 113.2 | L255 S259 | L255-E257 PolarHBondContact O-N 2.77Å; E257-S259 VanDerWaalsContact C-N 3.35Å |
| 258 | Y | 91.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 69.5 Ų | 69.5 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -87 | -4.6 | 179.3 | -58.1 | -70.8 | 0 | 0 | 0 | 113.5 | L255 Q256 S260 T261 L262 I286 N288 D291 | L255-Y258 HydrophobicContact CB-CD2 4.01Å; L255-Y258 HydrophobicContact CD2-CD2 3.79Å; L255-Y258 HydrophobicContact CD2-CE2 3.63Å; L255-Y258 HydrophobicContact CG-CD2 4.42Å; L255-Y258 PolarHBondContact O-N 3.36Å; Q256-Y258 PolarHBondContact O-N 3.25Å; Y258-S260 PolarHBondContact O-N 2.87Å; Y258-T261 PolarHBondContact O-N 2.95Å; Y258-T261 VanDerWaalsContact O-N 3.15Å; Y258-L262 WeakPolarHBondContact O-CG 3.16Å; Y258-L262 PolarHBondContact O-N 2.66Å; Y258-I286 HydrophobicContact CD1-CB 4.41Å; Y258-I286 HydrophobicContact CD1-CD1 3.93Å; Y258-I286 HydrophobicContact CD1-CG1 3.58Å; Y258-I286 HydrophobicContact CD1-CG2 4.35Å; Y258-I286 HydrophobicContact CE1-CB 4.14Å; Y258-I286 HydrophobicContact CE1-CD1 4.49Å; Y258-I286 HydrophobicContact CE1-CG1 3.79Å; Y258-I286 HydrophobicContact CE1-CG2 3.91Å; Y258-I286 HydrophobicContact CE2-CG2 4.25Å; Y258-I286 HydrophobicContact CG-CD1 3.99Å; Y258-I286 HydrophobicContact CG-CG1 4.16Å; Y258-N288 PolarHBondContact OH-ND2 3.33Å; Y258-D291 HydrophobicContact CE2-CB 4.09Å; Y258-D291 PolarHBondContact OH-OD2 3.46Å |
| 259 | S | 91.4 | Very high | 90.7 | Very high | 34 Ų | 34 | 68.3 Ų | 68.3 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.1 | -47 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | L250 Q256 E257 T261 L262 L263 | L250-S259 VanDerWaalsContact CD1-CA 3.48Å; Q256-S259 VanDerWaalsContact O-CB 3.23Å; Q256-S259 WeakPolarHBondContact O-CB 3.29Å; Q256-S259 PolarHBondContact O-N 3.05Å; Q256-S259 PolarHBondContact O-OG 3.03Å; E257-S259 VanDerWaalsContact C-N 3.35Å; S259-T261 VanDerWaalsContact C-N 3.33Å; S259-T261 PolarHBondContact O-N 2.95Å; S259-L262 PolarHBondContact O-N 3.47Å; S259-L263 WeakPolarHBondContact O-CB 3.09Å; S259-L263 PolarHBondContact O-N 3.2Å |
| 260 | S | 92.2 | Very high | 90.6 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 62% | 0.615 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68 | -35.9 | -179.5 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | Y258 L264 | Y258-S260 PolarHBondContact O-N 2.87Å; S260-L264 VanDerWaalsContact O-CB 3.31Å; S260-L264 WeakPolarHBondContact O-CB 3.36Å; S260-L264 PolarHBondContact O-N 2.8Å |
| 261 | T | 92.8 | Very high | 90.4 | Very high | 49 Ų | 49 | 75.8 Ų | 75.8 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.8 | -44.7 | 178.3 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | Y258 S259 L264 N265 L284 | Y258-T261 PolarHBondContact O-N 2.95Å; Y258-T261 VanDerWaalsContact O-N 3.15Å; S259-T261 VanDerWaalsContact C-N 3.33Å; S259-T261 PolarHBondContact O-N 2.95Å; T261-L264 PolarHBondContact O-N 3.49Å; T261-N265 PolarHBondContact O-N 3.36Å; T261-N265 PolarHBondContact O-ND2 3.31Å; T261-L284 HydrophobicContact CG2-CB 4.27Å; T261-L284 HydrophobicContact CG2-CD2 4.37Å; T261-L284 WeakPolarHBondContact CG2-O 3.45Å |
| 262 | L | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 175.5 | -76 | 162 | 0 | 0 | 0 | 111.1 | L250 Y258 S259 L264 N265 G266 Y267 L273 I276 L284 L295 | L250-L262 HydrophobicContact CD1-CD1 3.82Å; L250-L262 HydrophobicContact CD2-CD1 3.83Å; L250-L262 HydrophobicContact CG-CD1 4.43Å; Y258-L262 WeakPolarHBondContact O-CG 3.16Å; Y258-L262 PolarHBondContact O-N 2.66Å; S259-L262 PolarHBondContact O-N 3.47Å; L262-L264 PolarHBondContact O-N 2.95Å; L262-N265 CarbonylContact O-C 3.5Å; L262-N265 PolarHBondContact O-N 2.95Å; L262-N265 VanDerWaalsContact O-N 3.12Å; L262-G266 PolarHBondContact O-N 3.38Å; L262-Y267 HydrophobicContact CD2-CD2 4Å; L262-Y267 HydrophobicContact CD2-CG 4.04Å; L262-Y267 WeakPolarHBondContact O-CB 3.21Å; L262-Y267 PolarHBondContact O-N 3.21Å; L262-L273 HydrophobicContact CD2-CD2 4.16Å; L262-I276 HydrophobicContact CD2-CD1 4Å; L262-L284 HydrophobicContact CD2-CD1 3.59Å; L262-L295 HydrophobicContact CD1-CD1 4.19Å |
| 263 | L | 91.4 | Very high | 90.4 | Very high | 99 Ų | 99 | 69.3 Ų | 69.3 | 52% | 0.518 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | -179.1 | -173.4 | 63.3 | 0 | 0 | 0 | 112.7 | S259 N265 G266 E268 | S259-L263 WeakPolarHBondContact O-CB 3.09Å; S259-L263 PolarHBondContact O-N 3.2Å; L263-N265 PolarHBondContact O-N 3.4Å; L263-G266 PolarHBondContact O-N 2.61Å; L263-G266 VanDerWaalsContact O-N 3.09Å; L263-E268 HydrophobicContact CD1-CB 3.96Å; L263-E268 HydrophobicContact CD1-CG 3.93Å |
| 264 | L | 92.3 | Very high | 90.2 | Very high | 153 Ų | 153 | 72 Ų | 72 | 80% | 0.801 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.3 | -25.6 | 177.6 | -172.5 | 63.6 | 0 | 0 | 0 | 112.6 | S260 T261 L262 | S260-L264 VanDerWaalsContact O-CB 3.31Å; S260-L264 WeakPolarHBondContact O-CB 3.36Å; S260-L264 PolarHBondContact O-N 2.8Å; T261-L264 PolarHBondContact O-N 3.49Å; L262-L264 PolarHBondContact O-N 2.95Å |
| 265 | N | 92.2 | Very high | 90.1 | Very high | 92 Ų | 92 | 70.4 Ų | 70.4 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5.8 | 176.8 | -73.8 | -87.7 | 0 | 0 | 0 | 113.2 | T261 L262 L263 Y267 L284 | T261-N265 PolarHBondContact O-N 3.36Å; T261-N265 PolarHBondContact O-ND2 3.31Å; L262-N265 CarbonylContact O-C 3.5Å; L262-N265 PolarHBondContact O-N 2.95Å; L262-N265 VanDerWaalsContact O-N 3.12Å; L263-N265 PolarHBondContact O-N 3.4Å; N265-Y267 HydrophobicContact CB-CD2 4Å; N265-Y267 HydrophobicContact CB-CE2 4.07Å; N265-L284 HydrophobicContact CB-CD2 3.35Å; N265-L284 WeakPolarHBondContact ND2-CD2 3.4Å |
| 266 | G | 88.7 | Confident | 90 | Very high | 50 Ų | 50 | 70.8 Ų | 70.8 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 8.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | L262 L263 E268 | L262-G266 PolarHBondContact O-N 3.38Å; L263-G266 PolarHBondContact O-N 2.61Å; L263-G266 VanDerWaalsContact O-N 3.09Å; G266-E268 PolarHBondContact O-N 3.31Å |
| 267 | Y | 91.3 | Very high | 90.1 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 17% | 0.169 | 39% | 0.389 | C | S | . | . | trans | -84.2 | 87.5 | 171.4 | -59.6 | -87.8 | 0 | 0 | 0 | 108.8 | L246 L262 N265 D272 L273 I276 L284 | L246-Y267 VanDerWaalsContact CD1-O 3.31Å; L246-Y267 WeakPolarHBondContact CD1-O 3.23Å; L262-Y267 HydrophobicContact CD2-CD2 4Å; L262-Y267 HydrophobicContact CD2-CG 4.04Å; L262-Y267 WeakPolarHBondContact O-CB 3.21Å; L262-Y267 PolarHBondContact O-N 3.21Å; N265-Y267 HydrophobicContact CB-CD2 4Å; N265-Y267 HydrophobicContact CB-CE2 4.07Å; Y267-D272 HydrophobicContact CD1-CB 3.75Å; Y267-D272 WeakPolarHBondContact CD1-O 3.39Å; Y267-D272 WeakPolarHBondContact CE1-O 3.21Å; Y267-D272 HydrophobicContact CG-CB 4.46Å; Y267-L273 HydrophobicContact CD1-CD2 4.17Å; Y267-L273 HydrophobicContact CG-CD2 4.5Å; Y267-I276 HydrophobicContact CD1-CD1 4.1Å; Y267-I276 HydrophobicContact CE1-CB 4.44Å; Y267-I276 HydrophobicContact CE1-CD1 3.75Å; Y267-I276 HydrophobicContact CE1-CG1 4.05Å; Y267-L284 HydrophobicContact CD2-CD1 4.25Å; Y267-L284 HydrophobicContact CD2-CD2 4.5Å; Y267-L284 HydrophobicContact CE2-CD1 3.86Å; Y267-L284 HydrophobicContact CE2-CD2 4.15Å; Y267-L284 HydrophobicContact CE2-CG 4.47Å | ||
| 268 | E | 88.5 | Confident | 90.2 | Very high | 141 Ų | 141 | 71.6 Ų | 71.6 | 66% | 0.659 | 38% | 0.381 | S | S | * | . | trans | -100.1 | -30.4 | -178.8 | -174.1 | 173 | 179.6 | 0 | 0 | 111.8 | L263 G266 D272 | L263-E268 HydrophobicContact CD1-CB 3.96Å; L263-E268 HydrophobicContact CD1-CG 3.93Å; G266-E268 PolarHBondContact O-N 3.31Å; E268-D272 PolarHBondContact N-OD2 3.08Å; E268-D272 VanDerWaalsContact N-OD2 3.15Å | ||
| 269 | T | 89.1 | Confident | 90.3 | Very high | 69 Ų | 69 | 73.4 Ų | 73.4 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -111.8 | 162.5 | -175.2 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | E271 D272 | T269-E271 PolarHBondContact O-N 2.79Å; T269-D272 PolarHBondContact N-OD2 2.96Å; T269-D272 PolarHBondContact O-N 3.38Å; T269-D272 PolarHBondContact OG1-N 3.21Å; T269-D272 PolarHBondContact OG1-OD2 2.88Å |
| 270 | L | 88.1 | Confident | 90.4 | Very high | 52 Ų | 52 | 74.4 Ų | 74.4 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.6 | -26.4 | 172.7 | -64.9 | -178.8 | 0 | 0 | 0 | 112.3 | K244 F249 D272 L273 K274 L302 | K244-L270 HydrophobicContact CB-CD1 4.24Å; K244-L270 VanDerWaalsContact O-CD1 3.26Å; K244-L270 WeakPolarHBondContact O-CD1 3.37Å; F249-L270 HydrophobicContact CB-CD2 3.77Å; F249-L270 HydrophobicContact CD1-CD2 4.17Å; F249-L270 HydrophobicContact CD2-CD2 4.48Å; F249-L270 HydrophobicContact CG-CD2 3.89Å; L270-D272 VanDerWaalsContact C-N 3.31Å; L270-D272 PolarHBondContact O-N 3.16Å; L270-L273 HydrophobicContact CD2-CD1 4.13Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 2.98Å; L270-L273 VanDerWaalsContact O-N 3.12Å; L270-K274 PolarHBondContact O-N 2.93Å; L270-L302 HydrophobicContact CD1-CD1 4.24Å; L270-L302 HydrophobicContact CD2-CD1 4.15Å |
| 271 | E | 87.3 | Confident | 90.4 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 174.9 | -171.3 | 63.2 | -164 | 0 | 0 | 110.8 | T269 L273 K274 | T269-E271 PolarHBondContact O-N 2.79Å; E271-L273 PolarHBondContact O-N 3.09Å; E271-L273 VanDerWaalsContact O-N 3.14Å; E271-K274 WeakPolarHBondContact O-CB 3.36Å; E271-K274 PolarHBondContact O-N 2.79Å |
| 272 | D | 88.9 | Confident | 90.4 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -24.2 | 176.7 | -52.8 | -48.1 | 0 | 0 | 0 | 112.3 | Y267 E268 T269 L270 | Y267-D272 HydrophobicContact CD1-CB 3.75Å; Y267-D272 WeakPolarHBondContact CD1-O 3.39Å; Y267-D272 WeakPolarHBondContact CE1-O 3.21Å; Y267-D272 HydrophobicContact CG-CB 4.46Å; E268-D272 PolarHBondContact N-OD2 3.08Å; E268-D272 VanDerWaalsContact N-OD2 3.15Å; T269-D272 PolarHBondContact N-OD2 2.96Å; T269-D272 PolarHBondContact O-N 3.38Å; T269-D272 PolarHBondContact OG1-N 3.21Å; T269-D272 PolarHBondContact OG1-OD2 2.88Å; L270-D272 VanDerWaalsContact C-N 3.31Å; L270-D272 PolarHBondContact O-N 3.16Å |
| 273 | L | 88.7 | Confident | 90.4 | Very high | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.01 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -83.5 | -16.4 | 177.5 | -59.4 | 179.2 | 0 | 0 | 0 | 113 | L246 F249 L262 Y267 L270 E271 D275 I276 | L246-L273 HydrophobicContact CD1-CD1 3.96Å; L246-L273 HydrophobicContact CD1-CD2 4.49Å; L246-L273 HydrophobicContact CD1-CG 4.24Å; L246-L273 HydrophobicContact CG-CD1 4.49Å; F249-L273 HydrophobicContact CD1-CD1 3.81Å; F249-L273 HydrophobicContact CE1-CD1 3.71Å; L262-L273 HydrophobicContact CD2-CD2 4.16Å; Y267-L273 HydrophobicContact CD1-CD2 4.17Å; Y267-L273 HydrophobicContact CG-CD2 4.5Å; L270-L273 HydrophobicContact CD2-CD1 4.13Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 2.98Å; L270-L273 VanDerWaalsContact O-N 3.12Å; E271-L273 PolarHBondContact O-N 3.09Å; E271-L273 VanDerWaalsContact O-N 3.14Å; L273-D275 VanDerWaalsContact C-N 3.3Å; L273-D275 PolarHBondContact O-N 2.83Å; L273-I276 HydrophobicContact CD2-CD1 4.03Å; L273-I276 WeakPolarHBondContact O-CG2 3.4Å; L273-I276 PolarHBondContact O-N 2.85Å |
| 274 | K | 86.9 | Confident | 90.4 | Very high | 76 Ų | 76 | 74.7 Ų | 74.7 | 33% | 0.33 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 176.7 | 178.1 | 161.6 | -175.8 | 167.9 | 0 | 111.8 | L270 E271 L303 E306 | L270-K274 PolarHBondContact O-N 2.93Å; E271-K274 WeakPolarHBondContact O-CB 3.36Å; E271-K274 PolarHBondContact O-N 2.79Å; K274-L303 HydrophobicContact CB-CD2 4.06Å; K274-L303 HydrophobicContact CD-CD2 3.33Å; K274-L303 VanDerWaalsContact CE-CD2 3.49Å; K274-L303 HydrophobicContact CG-CD1 4.07Å; K274-L303 HydrophobicContact CG-CD2 3.43Å; K274-L303 VanDerWaalsContact CG-CD2 3.43Å; K274-L303 HydrophobicContact CG-CG 4.37Å; K274-E306 IonicContact NZ-OE2 3.65Å; K274-E306 PolarHBondContact NZ-OE2 3.36Å |
| 275 | D | 85.8 | Confident | 90.2 | Very high | 120 Ų | 120 | 73.9 Ų | 73.9 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 3.1 | -179 | -68.4 | -35 | 0 | 0 | 0 | 113.5 | L273 K277 | L273-D275 VanDerWaalsContact C-N 3.3Å; L273-D275 PolarHBondContact O-N 2.83Å; D275-K277 PolarHBondContact O-N 3.3Å |
| 276 | I | 90.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | trans | -72.4 | 130.5 | -177.9 | -152.3 | 163.9 | 0 | 0 | 0 | 110.5 | L262 Y267 L273 H280 L281 L284 L295 L296 | L262-I276 HydrophobicContact CD2-CD1 4Å; Y267-I276 HydrophobicContact CD1-CD1 4.1Å; Y267-I276 HydrophobicContact CE1-CB 4.44Å; Y267-I276 HydrophobicContact CE1-CD1 3.75Å; Y267-I276 HydrophobicContact CE1-CG1 4.05Å; L273-I276 HydrophobicContact CD2-CD1 4.03Å; L273-I276 WeakPolarHBondContact O-CG2 3.4Å; L273-I276 PolarHBondContact O-N 2.85Å; I276-H280 HydrophobicContact CG1-CB 3.84Å; I276-L281 HydrophobicContact CD1-CD2 3.44Å; I276-L281 VanDerWaalsContact CD1-CD2 3.44Å; I276-L281 HydrophobicContact CD1-CG 4.32Å; I276-L281 HydrophobicContact CG1-CD2 3.93Å; I276-L281 HydrophobicContact CG1-CG 4.29Å; I276-L284 HydrophobicContact CD1-CD1 4.09Å; I276-L295 HydrophobicContact CG2-CD2 3.82Å; I276-L296 HydrophobicContact CG2-CD2 4.03Å; I276-L296 VanDerWaalsContact O-CD2 3.31Å; I276-L296 WeakPolarHBondContact O-CD2 3Å | ||
| 277 | K | 92.4 | Very high | 90 | Very high | 136 Ų | 136 | 70.9 Ų | 70.9 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | trans | -112 | 163.2 | 177.7 | -65.2 | -178 | -177.1 | 176.1 | 0 | 110 | D275 S279 H280 L281 | D275-K277 PolarHBondContact O-N 3.3Å; K277-S279 PolarHBondContact O-N 2.77Å; K277-S279 VanDerWaalsContact O-N 3.13Å; K277-H280 PolarHBondContact N-ND1 2.85Å; K277-H280 WeakPolarHBondContact O-CB 2.75Å; K277-H280 PolarHBondContact O-N 2.85Å; K277-L281 PolarHBondContact O-N 3.3Å | ||
| 278 | E | 93.1 | Very high | 90.1 | Very high | 98 Ų | 98 | 73 Ų | 73 | 46% | 0.458 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -53.6 | -35.6 | 175.6 | -168.2 | -179.3 | 168.2 | 0 | 0 | 112.3 | L281 V282 R292 L296 | E278-L281 PolarHBondContact O-N 3.3Å; E278-V282 WeakPolarHBondContact O-CG2 3.48Å; E278-V282 PolarHBondContact O-N 3.1Å; E278-V282 VanDerWaalsContact O-N 3.11Å; E278-R292 IonicContact OE1-CZ 3.59Å; E278-R292 IonicContact OE1-NH1 2.73Å; E278-R292 PolarHBondContact OE1-NH1 3.18Å; E278-R292 IonicContact OE1-NH2 3.5Å; E278-R292 PolarHBondContact OE1-NH2 3.02Å; E278-L296 HydrophobicContact CB-CD1 3.9Å; E278-L296 HydrophobicContact CG-CD1 4.41Å |
| 279 | S | 92.4 | Very high | 90.3 | Very high | 61 Ų | 61 | 69 Ų | 69 | 43% | 0.427 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 175.5 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | K277 L281 V282 E283 | K277-S279 PolarHBondContact O-N 2.77Å; K277-S279 VanDerWaalsContact O-N 3.13Å; S279-L281 VanDerWaalsContact C-N 3.3Å; S279-L281 PolarHBondContact O-N 2.92Å; S279-V282 PolarHBondContact O-N 2.9Å; S279-E283 PolarHBondContact O-N 2.91Å; S279-E283 VanDerWaalsContact O-N 3.09Å |
| 280 | H | 93.8 | Very high | 90.5 | Very high | 56 Ų | 56 | 71.7 Ų | 71.7 | 26% | 0.259 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 178.3 | -54.8 | 153.1 | 0 | 0 | 0 | 110.5 | I276 K277 V282 E283 L284 | I276-H280 HydrophobicContact CG1-CB 3.84Å; K277-H280 PolarHBondContact N-ND1 2.85Å; K277-H280 WeakPolarHBondContact O-CB 2.75Å; K277-H280 PolarHBondContact O-N 2.85Å; H280-V282 VanDerWaalsContact C-N 3.3Å; H280-V282 PolarHBondContact O-N 3.29Å; H280-E283 PolarHBondContact O-N 2.83Å; H280-E283 VanDerWaalsContact O-N 3.17Å; H280-L284 WeakPolarHBondContact O-CB 3.32Å; H280-L284 WeakPolarHBondContact O-CG 3.02Å; H280-L284 PolarHBondContact O-N 2.92Å |
| 281 | L | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.8 | -35 | 178.2 | -57.1 | 174.4 | 0 | 0 | 0 | 112.2 | I276 K277 E278 S279 L284 I286 R292 L295 L296 | I276-L281 HydrophobicContact CD1-CD2 3.44Å; I276-L281 VanDerWaalsContact CD1-CD2 3.44Å; I276-L281 HydrophobicContact CD1-CG 4.32Å; I276-L281 HydrophobicContact CG1-CD2 3.93Å; I276-L281 HydrophobicContact CG1-CG 4.29Å; K277-L281 PolarHBondContact O-N 3.3Å; E278-L281 PolarHBondContact O-N 3.3Å; S279-L281 VanDerWaalsContact C-N 3.3Å; S279-L281 PolarHBondContact O-N 2.92Å; L281-L284 HydrophobicContact CD2-CD1 4.32Å; L281-L284 PolarHBondContact O-N 2.79Å; L281-I286 HydrophobicContact CB-CB 4.36Å; L281-I286 HydrophobicContact CB-CD1 4.43Å; L281-I286 HydrophobicContact CD2-CD1 3.9Å; L281-I286 WeakPolarHBondContact O-CA 3.44Å; L281-I286 VanDerWaalsContact O-CB 3.24Å; L281-I286 WeakPolarHBondContact O-CB 3.36Å; L281-I286 PolarHBondContact O-N 2.94Å; L281-R292 HydrophobicContact CB-CG 3.78Å; L281-R292 HydrophobicContact CD1-CB 3.97Å; L281-R292 HydrophobicContact CD1-CG 4.13Å; L281-L295 HydrophobicContact CD1-CD2 4.25Å; L281-L295 HydrophobicContact CD2-CD1 4.02Å; L281-L295 HydrophobicContact CD2-CD2 3.89Å; L281-L295 HydrophobicContact CD2-CG 4.47Å; L281-L296 HydrophobicContact CD1-CD1 4.05Å; L281-L296 HydrophobicContact CD1-CD2 3.95Å; L281-L296 HydrophobicContact CD1-CG 3.67Å |
| 282 | V | 91.9 | Very high | 91.1 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | E278 S279 H280 L284 N285 | E278-V282 WeakPolarHBondContact O-CG2 3.48Å; E278-V282 PolarHBondContact O-N 3.1Å; E278-V282 VanDerWaalsContact O-N 3.11Å; S279-V282 PolarHBondContact O-N 2.9Å; H280-V282 VanDerWaalsContact C-N 3.3Å; H280-V282 PolarHBondContact O-N 3.29Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 PolarHBondContact O-N 2.86Å; V282-N285 PolarHBondContact O-N 2.8Å |
| 283 | E | 92.4 | Very high | 91.2 | Very high | 158 Ų | 158 | 70.4 Ų | 70.4 | 74% | 0.738 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.1 | -32.5 | 176.4 | -70 | 174.2 | -171.4 | 0 | 0 | 112.4 | S279 H280 N285 | S279-E283 PolarHBondContact O-N 2.91Å; S279-E283 VanDerWaalsContact O-N 3.09Å; H280-E283 PolarHBondContact O-N 2.83Å; H280-E283 VanDerWaalsContact O-N 3.17Å; E283-N285 PolarHBondContact O-N 3.47Å; E283-N285 VanDerWaalsContact O-N 3.13Å |
| 284 | L | 90.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 75.7 Ų | 75.7 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 9.4 | 172.5 | -66.2 | 170.9 | 0 | 0 | 0 | 113.5 | T261 L262 N265 Y267 I276 H280 L281 V282 I286 | T261-L284 HydrophobicContact CG2-CB 4.27Å; T261-L284 HydrophobicContact CG2-CD2 4.37Å; T261-L284 WeakPolarHBondContact CG2-O 3.45Å; L262-L284 HydrophobicContact CD2-CD1 3.59Å; N265-L284 HydrophobicContact CB-CD2 3.35Å; N265-L284 WeakPolarHBondContact ND2-CD2 3.4Å; Y267-L284 HydrophobicContact CD2-CD1 4.25Å; Y267-L284 HydrophobicContact CD2-CD2 4.5Å; Y267-L284 HydrophobicContact CE2-CD1 3.86Å; Y267-L284 HydrophobicContact CE2-CD2 4.15Å; Y267-L284 HydrophobicContact CE2-CG 4.47Å; I276-L284 HydrophobicContact CD1-CD1 4.09Å; H280-L284 WeakPolarHBondContact O-CB 3.32Å; H280-L284 WeakPolarHBondContact O-CG 3.02Å; H280-L284 PolarHBondContact O-N 2.92Å; L281-L284 HydrophobicContact CD2-CD1 4.32Å; L281-L284 PolarHBondContact O-N 2.79Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 PolarHBondContact O-N 2.86Å; L284-I286 HydrophobicContact CB-CD1 4.31Å; L284-I286 HydrophobicContact CB-CG1 4.11Å; L284-I286 PolarHBondContact O-N 2.81Å |
| 285 | N | 88.6 | Confident | 91.8 | Very high | 136 Ų | 136 | 72.1 Ų | 72.1 | 73% | 0.727 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 25.5 | -179.9 | -158.4 | 26.6 | 0 | 0 | 0 | 113.8 | V282 E283 A287 | V282-N285 PolarHBondContact O-N 2.8Å; E283-N285 PolarHBondContact O-N 3.47Å; E283-N285 VanDerWaalsContact O-N 3.13Å; N285-A287 VanDerWaalsContact C-N 3.3Å; N285-A287 PolarHBondContact O-N 3.49Å |
| 286 | I | 89.6 | Confident | 92.1 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | trans | -88.1 | 74.6 | 170.9 | -47 | -176.9 | 0 | 0 | 0 | 107.3 | Y258 L281 L284 N288 D291 R292 | Y258-I286 HydrophobicContact CD1-CB 4.41Å; Y258-I286 HydrophobicContact CD1-CD1 3.93Å; Y258-I286 HydrophobicContact CD1-CG1 3.58Å; Y258-I286 HydrophobicContact CD1-CG2 4.35Å; Y258-I286 HydrophobicContact CE1-CB 4.14Å; Y258-I286 HydrophobicContact CE1-CD1 4.49Å; Y258-I286 HydrophobicContact CE1-CG1 3.79Å; Y258-I286 HydrophobicContact CE1-CG2 3.91Å; Y258-I286 HydrophobicContact CE2-CG2 4.25Å; Y258-I286 HydrophobicContact CG-CD1 3.99Å; Y258-I286 HydrophobicContact CG-CG1 4.16Å; L281-I286 HydrophobicContact CB-CB 4.36Å; L281-I286 HydrophobicContact CB-CD1 4.43Å; L281-I286 HydrophobicContact CD2-CD1 3.9Å; L281-I286 WeakPolarHBondContact O-CA 3.44Å; L281-I286 VanDerWaalsContact O-CB 3.24Å; L281-I286 WeakPolarHBondContact O-CB 3.36Å; L281-I286 PolarHBondContact O-N 2.94Å; L284-I286 HydrophobicContact CB-CD1 4.31Å; L284-I286 HydrophobicContact CB-CG1 4.11Å; L284-I286 PolarHBondContact O-N 2.81Å; I286-N288 VanDerWaalsContact C-N 3.28Å; I286-N288 PolarHBondContact O-N 2.82Å; I286-D291 HydrophobicContact CG2-CB 3.89Å; I286-R292 HydrophobicContact CB-CG 4.29Å; I286-R292 HydrophobicContact CG2-CG 3.92Å; I286-R292 WeakPolarHBondContact O-CD 3.27Å; I286-R292 VanDerWaalsContact O-CG 3.28Å; I286-R292 WeakPolarHBondContact O-CG 3.18Å | ||
| 287 | A | 86.6 | Confident | 92.1 | Very high | 76 Ų | 76 | 71.6 Ų | 71.6 | 63% | 0.628 | 38% | 0.379 | S | S | * | . | trans | -71.3 | -22.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N285 A289 | N285-A287 VanDerWaalsContact C-N 3.3Å; N285-A287 PolarHBondContact O-N 3.49Å; A287-A289 PolarHBondContact O-N 3.38Å | ||
| 288 | N | 93.3 | Very high | 92 | Very high | 87 Ų | 87 | 66 Ų | 66 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | trans | -69.1 | 120 | -178.4 | -69.2 | -25.6 | 0 | 0 | 0 | 111.1 | Y258 I286 E290 D291 R292 | Y258-N288 PolarHBondContact OH-ND2 3.33Å; I286-N288 VanDerWaalsContact C-N 3.28Å; I286-N288 PolarHBondContact O-N 2.82Å; N288-E290 VanDerWaalsContact C-N 3.28Å; N288-E290 PolarHBondContact O-N 3.29Å; N288-D291 HydrophobicContact CB-CB 3.97Å; N288-D291 WeakPolarHBondContact CB-OD2 3.43Å; N288-D291 PolarHBondContact ND2-OD2 3.45Å; N288-D291 PolarHBondContact O-N 3.33Å; N288-R292 WeakPolarHBondContact O-CG 3.44Å; N288-R292 PolarHBondContact O-N 3.36Å; N288-R292 VanDerWaalsContact O-N 3.12Å | ||
| 289 | A | 92.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | A287 M293 | A287-A289 PolarHBondContact O-N 3.38Å; A289-M293 WeakPolarHBondContact O-CB 3.5Å; A289-M293 PolarHBondContact O-N 2.83Å |
| 290 | E | 93.7 | Very high | 91.6 | Very high | 125 Ų | 125 | 64.6 Ų | 64.6 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.7 | -42.6 | 177.5 | -63.2 | -176.9 | -168.7 | 0 | 0 | 112.2 | N288 M293 R294 | N288-E290 VanDerWaalsContact C-N 3.28Å; N288-E290 PolarHBondContact O-N 3.29Å; E290-M293 PolarHBondContact O-N 3.05Å; E290-R294 WeakPolarHBondContact O-CB 3.19Å; E290-R294 VanDerWaalsContact O-CG 3.26Å; E290-R294 WeakPolarHBondContact O-CG 3.28Å; E290-R294 PolarHBondContact O-N 2.77Å; E290-R294 IonicContact OE2-CZ 3.01Å; E290-R294 IonicContact OE2-NH1 2.79Å; E290-R294 IonicContact OE2-NH2 2.72Å; E290-R294 PolarHBondContact OE2-NH2 3.09Å |
| 291 | D | 93.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.08 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.8 | -39.8 | -179 | -63.2 | -19.4 | 0 | 0 | 0 | 110.8 | L255 Y258 I286 N288 R294 L295 | L255-D291 HydrophobicContact CD1-CB 4.44Å; L255-D291 WeakPolarHBondContact CD1-O 3.27Å; L255-D291 HydrophobicContact CD2-CB 3.6Å; L255-D291 VanDerWaalsContact CD2-CG 3.5Å; L255-D291 WeakPolarHBondContact CD2-OD1 3.43Å; Y258-D291 HydrophobicContact CE2-CB 4.09Å; Y258-D291 PolarHBondContact OH-OD2 3.46Å; I286-D291 HydrophobicContact CG2-CB 3.89Å; N288-D291 HydrophobicContact CB-CB 3.97Å; N288-D291 WeakPolarHBondContact CB-OD2 3.43Å; N288-D291 PolarHBondContact ND2-OD2 3.45Å; N288-D291 PolarHBondContact O-N 3.33Å; D291-R294 PolarHBondContact O-N 2.82Å; D291-R294 IonicContact OD1-NH1 2.84Å; D291-R294 PolarHBondContact OD1-NH1 3.44Å; D291-L295 WeakPolarHBondContact O-CB 3.24Å; D291-L295 PolarHBondContact O-N 2.95Å |
| 292 | R | 93.9 | Very high | 90.6 | Very high | 41 Ų | 41 | 67 Ų | 67 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 172.9 | -67 | -174.8 | -65.6 | 146.6 | 23.2 | 111.6 | E278 L281 I286 N288 L295 L296 | E278-R292 IonicContact OE1-CZ 3.59Å; E278-R292 IonicContact OE1-NH1 2.73Å; E278-R292 PolarHBondContact OE1-NH1 3.18Å; E278-R292 IonicContact OE1-NH2 3.5Å; E278-R292 PolarHBondContact OE1-NH2 3.02Å; L281-R292 HydrophobicContact CB-CG 3.78Å; L281-R292 HydrophobicContact CD1-CB 3.97Å; L281-R292 HydrophobicContact CD1-CG 4.13Å; I286-R292 HydrophobicContact CB-CG 4.29Å; I286-R292 HydrophobicContact CG2-CG 3.92Å; I286-R292 WeakPolarHBondContact O-CD 3.27Å; I286-R292 VanDerWaalsContact O-CG 3.28Å; I286-R292 WeakPolarHBondContact O-CG 3.18Å; N288-R292 WeakPolarHBondContact O-CG 3.44Å; N288-R292 PolarHBondContact O-N 3.36Å; N288-R292 VanDerWaalsContact O-N 3.12Å; R292-L295 PolarHBondContact O-N 2.71Å; R292-L296 WeakPolarHBondContact O-CB 3.43Å; R292-L296 VanDerWaalsContact O-CG 3.28Å; R292-L296 WeakPolarHBondContact O-CG 3.45Å; R292-L296 PolarHBondContact O-N 3.1Å |
| 293 | M | 91.9 | Very high | 89.8 | Confident | 136 Ų | 136 | 65.7 Ų | 65.7 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 178.4 | -176.2 | -175.6 | -65.9 | 0 | 0 | 111.9 | A289 E290 L295 L296 S297 | A289-M293 WeakPolarHBondContact O-CB 3.5Å; A289-M293 PolarHBondContact O-N 2.83Å; E290-M293 PolarHBondContact O-N 3.05Å; M293-L295 PolarHBondContact O-N 2.83Å; M293-L296 PolarHBondContact O-N 3.06Å; M293-S297 WeakPolarHBondContact O-CB 3.36Å; M293-S297 PolarHBondContact O-N 2.66Å |
| 294 | R | 93.6 | Very high | 88.6 | Confident | 113 Ų | 113 | 62.4 Ų | 62.4 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 177.3 | -76.4 | 174.5 | -168.6 | 125.7 | 8.8 | 111.6 | L255 E290 D291 A298 | L255-R294 HydrophobicContact CD1-CB 4.17Å; E290-R294 WeakPolarHBondContact O-CB 3.19Å; E290-R294 VanDerWaalsContact O-CG 3.26Å; E290-R294 WeakPolarHBondContact O-CG 3.28Å; E290-R294 PolarHBondContact O-N 2.77Å; E290-R294 IonicContact OE2-CZ 3.01Å; E290-R294 IonicContact OE2-NH1 2.79Å; E290-R294 IonicContact OE2-NH2 2.72Å; E290-R294 PolarHBondContact OE2-NH2 3.09Å; D291-R294 PolarHBondContact O-N 2.82Å; D291-R294 IonicContact OD1-NH1 2.84Å; D291-R294 PolarHBondContact OD1-NH1 3.44Å; R294-A298 WeakPolarHBondContact O-CB 3.22Å; R294-A298 PolarHBondContact O-N 3.23Å |
| 295 | L | 93.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.4 | -48.2 | 180 | -167.1 | 154.2 | 0 | 0 | 0 | 111.4 | L250 I253 L255 L262 I276 L281 D291 R292 M293 A298 A299 | L250-L295 HydrophobicContact CD2-CD1 4.29Å; I253-L295 HydrophobicContact CD1-CB 4.43Å; I253-L295 HydrophobicContact CD1-CG 4.39Å; L255-L295 HydrophobicContact CD1-CB 3.86Å; L255-L295 HydrophobicContact CD1-CD1 4.41Å; L262-L295 HydrophobicContact CD1-CD1 4.19Å; I276-L295 HydrophobicContact CG2-CD2 3.82Å; L281-L295 HydrophobicContact CD1-CD2 4.25Å; L281-L295 HydrophobicContact CD2-CD1 4.02Å; L281-L295 HydrophobicContact CD2-CD2 3.89Å; L281-L295 HydrophobicContact CD2-CG 4.47Å; D291-L295 WeakPolarHBondContact O-CB 3.24Å; D291-L295 PolarHBondContact O-N 2.95Å; R292-L295 PolarHBondContact O-N 2.71Å; M293-L295 PolarHBondContact O-N 2.83Å; L295-A298 PolarHBondContact O-N 2.86Å; L295-A299 VanDerWaalsContact O-CB 3.31Å; L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.25Å |
| 296 | L | 92.1 | Very high | 85.9 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 178.8 | -69.4 | 169.8 | 0 | 0 | 0 | 111.9 | I276 E278 L281 R292 M293 A298 A299 E300 | I276-L296 HydrophobicContact CG2-CD2 4.03Å; I276-L296 VanDerWaalsContact O-CD2 3.31Å; I276-L296 WeakPolarHBondContact O-CD2 3Å; E278-L296 HydrophobicContact CB-CD1 3.9Å; E278-L296 HydrophobicContact CG-CD1 4.41Å; L281-L296 HydrophobicContact CD1-CD1 4.05Å; L281-L296 HydrophobicContact CD1-CD2 3.95Å; L281-L296 HydrophobicContact CD1-CG 3.67Å; R292-L296 WeakPolarHBondContact O-CB 3.43Å; R292-L296 VanDerWaalsContact O-CG 3.28Å; R292-L296 WeakPolarHBondContact O-CG 3.45Å; R292-L296 PolarHBondContact O-N 3.1Å; M293-L296 PolarHBondContact O-N 3.06Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.01Å; L296-A299 PolarHBondContact O-N 3.25Å; L296-E300 WeakPolarHBondContact O-CB 3.16Å; L296-E300 PolarHBondContact O-N 3.44Å |
| 297 | S | 91.7 | Very high | 84 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 179.3 | 177.6 | 0 | 0 | 0 | 0 | 112 | M293 S301 | M293-S297 WeakPolarHBondContact O-CB 3.36Å; M293-S297 PolarHBondContact O-N 2.66Å; S297-S301 WeakPolarHBondContact O-CB 3.24Å; S297-S301 PolarHBondContact O-N 3.49Å |
| 298 | A | 90.8 | Very high | 82.3 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.5 | -33.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F249 I253 R294 L295 L296 L302 | F249-A298 HydrophobicContact CE2-CB 3.79Å; F249-A298 HydrophobicContact CZ-CB 3.71Å; I253-A298 HydrophobicContact CD1-CB 4.43Å; I253-A298 HydrophobicContact CG2-CB 3.44Å; I253-A298 VanDerWaalsContact CG2-CB 3.44Å; R294-A298 WeakPolarHBondContact O-CB 3.22Å; R294-A298 PolarHBondContact O-N 3.23Å; L295-A298 PolarHBondContact O-N 2.86Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.01Å; A298-L302 WeakPolarHBondContact O-CG 3.38Å; A298-L302 PolarHBondContact O-N 3.27Å |
| 299 | A | 89.6 | Confident | 80.2 | Confident | 6 Ų | 6 | 71.5 Ų | 71.5 | 5% | 0.05 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L295 L296 S301 L302 L303 | L295-A299 VanDerWaalsContact O-CB 3.31Å; L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.25Å; L296-A299 PolarHBondContact O-N 3.25Å; A299-S301 VanDerWaalsContact C-N 3.33Å; A299-S301 PolarHBondContact O-N 2.88Å; A299-L302 WeakPolarHBondContact O-CB 3.16Å; A299-L302 PolarHBondContact O-N 3.47Å; A299-L303 PolarHBondContact O-N 3.44Å |
| 300 | E | 86.8 | Confident | 78.1 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 174 | -173.2 | 174.4 | -161.1 | 0 | 0 | 111.6 | L296 L302 L303 D304 | L296-E300 WeakPolarHBondContact O-CB 3.16Å; L296-E300 PolarHBondContact O-N 3.44Å; E300-L302 PolarHBondContact O-N 3.26Å; E300-L302 VanDerWaalsContact O-N 3.16Å; E300-L303 WeakPolarHBondContact O-CB 3.4Å; E300-L303 PolarHBondContact O-N 3.4Å; E300-D304 PolarHBondContact O-N 3.48Å |
| 301 | S | 86.5 | Confident | 75.6 | Confident | 65 Ų | 65 | 77 Ų | 77 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.3 | -20.7 | 174 | 178.9 | 0 | 0 | 0 | 0 | 113.8 | S297 A299 E305 | S297-S301 WeakPolarHBondContact O-CB 3.24Å; S297-S301 PolarHBondContact O-N 3.49Å; A299-S301 VanDerWaalsContact C-N 3.33Å; A299-S301 PolarHBondContact O-N 2.88Å; S301-E305 WeakPolarHBondContact O-CG 3.48Å |
| 302 | L | 80.4 | Confident | 73 | Confident | 40 Ų | 40 | 84.7 Ų | 84.7 | 21% | 0.209 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -75.9 | -27.5 | 171.5 | -65.6 | 174 | 0 | 0 | 0 | 112 | F249 L270 A298 A299 E300 | F249-L302 HydrophobicContact CD2-CD1 3.72Å; F249-L302 HydrophobicContact CD2-CD2 4.45Å; F249-L302 HydrophobicContact CD2-CG 4.37Å; F249-L302 HydrophobicContact CE2-CD1 3.52Å; F249-L302 HydrophobicContact CE2-CD2 4.49Å; F249-L302 HydrophobicContact CE2-CG 4.02Å; F249-L302 HydrophobicContact CG-CD1 4.48Å; F249-L302 HydrophobicContact CZ-CD1 4.15Å; L270-L302 HydrophobicContact CD1-CD1 4.24Å; L270-L302 HydrophobicContact CD2-CD1 4.15Å; A298-L302 WeakPolarHBondContact O-CG 3.38Å; A298-L302 PolarHBondContact O-N 3.27Å; A299-L302 WeakPolarHBondContact O-CB 3.16Å; A299-L302 PolarHBondContact O-N 3.47Å; E300-L302 PolarHBondContact O-N 3.26Å; E300-L302 VanDerWaalsContact O-N 3.16Å |
| 303 | L | 73.8 | Confident | 70.3 | Confident | 50 Ų | 50 | 89.6 Ų | 89.6 | 26% | 0.262 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -76.1 | -36.5 | -179.8 | -55.1 | -179.4 | 0 | 0 | 0 | 112.3 | K274 A299 E300 E305 E306 T307 | K274-L303 HydrophobicContact CB-CD2 4.06Å; K274-L303 HydrophobicContact CD-CD2 3.33Å; K274-L303 VanDerWaalsContact CE-CD2 3.49Å; K274-L303 HydrophobicContact CG-CD1 4.07Å; K274-L303 HydrophobicContact CG-CD2 3.43Å; K274-L303 VanDerWaalsContact CG-CD2 3.43Å; K274-L303 HydrophobicContact CG-CG 4.37Å; A299-L303 PolarHBondContact O-N 3.44Å; E300-L303 WeakPolarHBondContact O-CB 3.4Å; E300-L303 PolarHBondContact O-N 3.4Å; L303-E305 VanDerWaalsContact C-N 3.27Å; L303-E305 PolarHBondContact O-N 3.13Å; L303-E306 PolarHBondContact O-N 3.33Å; L303-T307 PolarHBondContact O-N 3.07Å; L303-T307 VanDerWaalsContact O-N 3.09Å; L303-T307 PolarHBondContact O-OG1 2.98Å |
| 304 | D | 68.8 | Low | 67.4 | Low | 89 Ų | 89 | 89.4 Ų | 89.4 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.9 | -30.3 | 178 | -72.3 | -17.7 | 0 | 0 | 0 | 112.2 | E300 T307 N308 | E300-D304 PolarHBondContact O-N 3.48Å; D304-T307 WeakPolarHBondContact CA-OG1 3.16Å; D304-T307 PolarHBondContact O-OG1 2.92Å; D304-N308 WeakPolarHBondContact O-CB 3.02Å; D304-N308 PolarHBondContact O-N 2.6Å; D304-N308 VanDerWaalsContact O-N 3.14Å; D304-N308 PolarHBondContact O-ND2 3.03Å |
| 305 | E | 63.1 | Low | 64.9 | Low | 114 Ų | 114 | 89.7 Ų | 89.7 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.8 | -39.8 | 176.5 | -61.1 | -74.5 | 136.2 | 0 | 0 | 111.1 | S301 L303 T307 N308 E309 | S301-E305 WeakPolarHBondContact O-CG 3.48Å; L303-E305 VanDerWaalsContact C-N 3.27Å; L303-E305 PolarHBondContact O-N 3.13Å; E305-T307 PolarHBondContact O-N 3.43Å; E305-N308 PolarHBondContact O-N 3.27Å; E305-E309 WeakPolarHBondContact O-CG 3.47Å; E305-E309 PolarHBondContact O-N 3.35Å |
| 306 | E | 58.1 | Low | 62 | Low | 87 Ų | 87 | 96.4 Ų | 96.4 | 41% | 0.407 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 175.8 | -171.5 | -177.8 | -159.3 | 0 | 0 | 111.8 | K274 L303 | K274-E306 IonicContact NZ-OE2 3.65Å; K274-E306 PolarHBondContact NZ-OE2 3.36Å; L303-E306 PolarHBondContact O-N 3.33Å |
| 307 | T | 50.8 | Low | 59.4 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.454 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -78.1 | -27.8 | -179.5 | 37.4 | 0 | 0 | 0 | 0 | 114 | L303 D304 E305 E309 E310 Q311 | L303-T307 PolarHBondContact O-N 3.07Å; L303-T307 VanDerWaalsContact O-N 3.09Å; L303-T307 PolarHBondContact O-OG1 2.98Å; D304-T307 WeakPolarHBondContact CA-OG1 3.16Å; D304-T307 PolarHBondContact O-OG1 2.92Å; E305-T307 PolarHBondContact O-N 3.43Å; T307-E309 VanDerWaalsContact C-N 3.35Å; T307-E310 PolarHBondContact O-N 3.4Å; T307-Q311 PolarHBondContact O-N 3.31Å |
| 308 | N | 49.6 | Very low | 56.8 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.5 | -31.3 | 172.2 | -81.2 | -54.7 | 0 | 0 | 0 | 112.2 | D304 E305 E310 Q311 | D304-N308 WeakPolarHBondContact O-CB 3.02Å; D304-N308 PolarHBondContact O-N 2.6Å; D304-N308 VanDerWaalsContact O-N 3.14Å; D304-N308 PolarHBondContact O-ND2 3.03Å; E305-N308 PolarHBondContact O-N 3.27Å; N308-E310 VanDerWaalsContact C-N 3.29Å; N308-E310 PolarHBondContact O-N 3.22Å; N308-Q311 PolarHBondContact O-N 3.22Å |
| 309 | E | 49.6 | Very low | 54 | Low | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.593 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -28.2 | 173.8 | -70.1 | -177.6 | -171.6 | 0 | 0 | 112.6 | E305 T307 | E305-E309 WeakPolarHBondContact O-CG 3.47Å; E305-E309 PolarHBondContact O-N 3.35Å; T307-E309 VanDerWaalsContact C-N 3.35Å |
| 310 | E | 48.2 | Very low | 51.3 | Low | 145 Ų | 145 | 115.5 Ų | 115.5 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -82.2 | -21.4 | 177.9 | -67.9 | -175.4 | 158.7 | 0 | 0 | 113.5 | T307 N308 | T307-E310 PolarHBondContact O-N 3.4Å; N308-E310 VanDerWaalsContact C-N 3.29Å; N308-E310 PolarHBondContact O-N 3.22Å |
| 311 | Q | 41.4 | Very low | 49 | Very low | 153 Ų | 153 | 119.8 Ų | 119.8 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -92.5 | -10.4 | -173.4 | -160.1 | 156.2 | 54.1 | 0 | 0 | 114.7 | T307 N308 N313 | T307-Q311 PolarHBondContact O-N 3.31Å; N308-Q311 PolarHBondContact O-N 3.22Å; Q311-N313 VanDerWaalsContact C-N 3.3Å; Q311-N313 PolarHBondContact O-N 3.5Å |
| 312 | E | 39.4 | Very low | 46.7 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -1.9 | 176.8 | -72.1 | -161.6 | 147.6 | 0 | 0 | 114.8 | ||
| 313 | N | 37.1 | Very low | 44.4 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 20.8 | -178 | -79.9 | -75.1 | 0 | 0 | 0 | 116 | Q311 | Q311-N313 VanDerWaalsContact C-N 3.3Å; Q311-N313 PolarHBondContact O-N 3.5Å |
| 314 | E | 31.9 | Very low | 42.7 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | trans | -124.5 | 119.6 | 172.8 | -110.7 | -69.2 | 155.3 | 0 | 0 | 111.1 | L316 | E314-L316 PolarHBondContact O-N 3.06Å; E314-L316 VanDerWaalsContact O-N 3.14Å; E314-L316 WeakPolarHBondContact OE2-CG 3.27Å | ||
| 315 | P | 40.2 | Very low | 40.9 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | -83.1 | 92.1 | 176.6 | 33.7 | -29.5 | 0 | 0 | 0 | 109.1 | ||||
| 316 | L | 33.3 | Very low | 39.3 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | trans | -117 | 142.8 | 170.5 | -74.9 | 171.1 | 0 | 0 | 0 | 113.4 | E314 | E314-L316 PolarHBondContact O-N 3.06Å; E314-L316 VanDerWaalsContact O-N 3.14Å; E314-L316 WeakPolarHBondContact OE2-CG 3.27Å | ||
| 317 | P | 36.6 | Very low | 38.3 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -82.6 | 150.7 | -156.2 | 33.7 | -34.9 | 0 | 0 | 0 | 112.6 | S319 | P317-S319 PolarHBondContact O-N 3.46Š| ||
| 318 | L | 37.9 | Very low | 37.4 | Very low | 181 Ų | 181 | 141 Ų | 141 | 95% | 0.948 | 74% | 0.744 | S | S | * | * | trans | -44.3 | 116.4 | 169.5 | -62.7 | 167.8 | 0 | 0 | 0 | 112.4 | ||||
| 319 | S | 31.5 | Very low | 36.9 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | -159.8 | 101.1 | 153.8 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | P317 | P317-S319 PolarHBondContact O-N 3.46Š| ||
| 320 | L | 31.9 | Very low | 36.4 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 65.6 | 101.6 | 141.5 | -59.9 | 162.1 | 0 | 0 | 0 | 117.9 | ||||
| 321 | R | 38.8 | Very low | 36.1 | Very low | 213 Ų | 213 | 147.1 Ų | 147.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -55.5 | 150.5 | 141.6 | -80.6 | -166.8 | 177 | -170.2 | -0 | 109.4 | D323 | R321-D323 IonicContact NH1-OD2 3.84Š| ||
| 322 | P | 38.1 | Very low | 35.8 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | -130.8 | 129.5 | 116.1 | 30.8 | -18.6 | 0 | 0 | 0 | 111.3 | |||||
| 323 | D | 31.6 | Very low | 36 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | trans | -92.5 | 153.9 | 167.9 | -156.8 | -4.3 | 0 | 0 | 0 | 108.3 | R321 | R321-D323 IonicContact NH1-OD2 3.84Š| ||
| 324 | I | 39.3 | Very low | 37 | Very low | 132 Ų | 132 | 144 Ų | 144 | 68% | 0.677 | 79% | 0.787 | S | S | * | * | trans | 94.5 | 109.8 | 154.9 | -47 | 159.7 | 0 | 0 | 0 | 118.7 | ||||
| 325 | L | 30.2 | Very low | 38.2 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -120.1 | 94.5 | 139.4 | -179.9 | 64.9 | 0 | 0 | 0 | 109.8 | ||||
| 326 | S | 30.8 | Very low | 38.4 | Very low | 100 Ų | 100 | 151 Ų | 151 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -157.4 | 80.6 | 157.3 | 32.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 327 | K | 37 | Very low | 39.5 | Very low | 202 Ų | 202 | 149 Ų | 149 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | 37.3 | 101.7 | 138.9 | -161.9 | 174.1 | -172.2 | 177.5 | 0 | 118.9 | ||||
| 328 | S | 31.9 | Very low | 39.9 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 177.1 | 106.4 | 131.5 | 38 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 329 | Q | 38.8 | Very low | 40.3 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | 59.3 | 102.1 | 108.7 | -166.8 | 161.9 | 15.7 | 0 | 0 | 113.3 | |||||
| 330 | L | 38.1 | Very low | 40.8 | Very low | 167 Ų | 167 | 151 Ų | 151 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 177.3 | 127.7 | 130.4 | -88.3 | 174.1 | 0 | 0 | 0 | 109.1 | ||||
| 331 | D | 42.1 | Very low | 41.3 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -56.3 | 140.7 | 177.8 | -63.1 | -91.1 | 0 | 0 | 0 | 114.4 | ||||
| 332 | D | 35.7 | Very low | 41.1 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | 175.6 | 107.6 | 128.5 | -115.7 | -40.7 | 0 | 0 | 0 | 109.5 | |||||
| 333 | C | 44.4 | Very low | 41.3 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -110.9 | 127.1 | 171.8 | -78 | 0 | 0 | 0 | 0 | 110.2 | R335 | C333-R335 PolarHBondContact O-N 2.97Š| ||
| 334 | P | 58 | Low | 41.7 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -79.9 | 106.2 | 175.6 | 32.2 | -29.5 | 0 | 0 | 0 | 109.8 | D336 | P334-D336 PolarHBondContact O-N 3.4Š| ||
| 335 | R | 56.9 | Low | 41.5 | Very low | 239 Ų | 239 | 145.4 Ų | 145.4 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -3.8 | 106.8 | 144.4 | -155.3 | 176.7 | -160.8 | 135.9 | 0.5 | 115.5 | C333 | C333-R335 PolarHBondContact O-N 2.97Š| ||
| 336 | D | 44.5 | Very low | 41.9 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -131.5 | 139.7 | 150.1 | -166.3 | 16.6 | 0 | 0 | 0 | 110 | P334 | P334-D336 PolarHBondContact O-N 3.4Š| ||
| 337 | S | 54.8 | Low | 42.2 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -99.9 | 141.1 | -152.6 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 338 | G | 45 | Very low | 42.1 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -154.3 | 85.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 339 | C | 46.4 | Very low | 42.3 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -72.1 | 139.3 | 171.8 | -81 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 340 | Y | 43.7 | Very low | 42.4 | Very low | 240 Ų | 240 | 139.4 Ų | 139.4 | 94% | 0.941 | 79% | 0.786 | S | S | * | * | trans | -134.3 | 131.8 | 132.1 | -120.8 | -90 | 0 | 0 | 0 | 109.3 | ||||
| 341 | I | 40.9 | Very low | 42.5 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 64% | 0.641 | 78% | 0.783 | S | S | * | * | trans | -91.2 | 143.8 | -169.8 | -48 | 150 | 0 | 0 | 0 | 107.7 | ||||
| 342 | S | 35.3 | Very low | 42.3 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -161.8 | 99.3 | 136.7 | -76.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 343 | S | 41.7 | Very low | 42.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | -58.3 | 136.4 | 157.5 | -46.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 344 | E | 40.3 | Very low | 42.3 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | 79.8 | 135.2 | 92.8 | -155.3 | -152.8 | 156.9 | 0 | 0 | 114.1 | |||||
| 345 | N | 34.5 | Very low | 41.7 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | 76.4 | 142 | 165.4 | -37.4 | 90.4 | 0 | 0 | 0 | 115.5 | ||||
| 346 | S | 40.3 | Very low | 40.8 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | -171.1 | 162.8 | 14.8 | -159.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 347 | D | 35.3 | Very low | 40.5 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | 81.2 | 130.9 | 137 | -149.6 | 20.3 | 0 | 0 | 0 | 122.5 | ||||
| 348 | N | 35.5 | Very low | 39.6 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 32.1 | 127.4 | 155.2 | -89.4 | -20.4 | 0 | 0 | 0 | 123.4 | ||||
| 349 | G | 36.2 | Very low | 40.2 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | 95.3 | 112.4 | 109.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 350 | K | 41.3 | Very low | 39.9 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 76 | 123.5 | 146.5 | -57.7 | -166.2 | 177.3 | -178.3 | 0 | 118.3 | ||||
| 351 | E | 39.8 | Very low | 39.6 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | 87.7 | 138.8 | 116.5 | 82.1 | -155.4 | -178.4 | 0 | 0 | 111.5 | |||||
| 352 | D | 37.4 | Very low | 39.7 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | cis | -167.9 | 168.6 | -5.8 | -159.8 | -10.1 | 0 | 0 | 0 | 104.9 | ||||
| 353 | L | 42.7 | Very low | 40.1 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | trans | 85.8 | 123.5 | 161.8 | -51.7 | 177.1 | 0 | 0 | 0 | 121.8 | ||||
| 354 | E | 37.6 | Very low | 40.2 | Very low | 175 Ų | 175 | 144 Ų | 144 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 65.6 | 128.8 | 135.4 | -80.1 | -168.5 | 134.8 | 0 | 0 | 118.8 | ||||
| 355 | S | 46.4 | Very low | 40.3 | Very low | 86 Ų | 86 | 145.5 Ų | 145.5 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | cis | -162.8 | 138.7 | 10.8 | -77.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 356 | E | 37.4 | Very low | 40.5 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | 35 | 122.5 | 129.6 | -52.9 | -167.9 | 125.3 | 0 | 0 | 121.9 | |||||
| 357 | N | 37.3 | Very low | 40.7 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | 137.6 | 88.6 | 124.7 | -93.7 | -78.6 | 0 | 0 | 0 | 110 | |||||
| 358 | L | 37.5 | Very low | 41 | Very low | 151 Ų | 151 | 146 Ų | 146 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | 101.6 | 125.1 | 81.7 | -97 | -176.6 | 0 | 0 | 0 | 110.4 | |||||
| 359 | P | 56.1 | Low | 41.5 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | trans | -103.8 | 174.6 | -172.6 | 42.4 | -33.8 | 0 | 0 | 0 | 111.6 | ||||
| 360 | D | 40.8 | Very low | 42.5 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | 175.2 | 148.9 | 140.4 | -120.2 | 23.8 | 0 | 0 | 0 | 110.2 | ||||
| 361 | M | 37.5 | Very low | 42.9 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | cis | -168.8 | 130.2 | -26 | 172.1 | 166.5 | 57.3 | 0 | 0 | 104.7 | ||||
| 362 | V | 42.4 | Very low | 43.3 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -74.2 | 124.6 | 179.9 | -159.7 | 0 | 0 | 0 | 0 | 108.3 | K364 | V362-K364 PolarHBondContact O-N 3.23Š| ||
| 363 | Q | 44.3 | Very low | 43.6 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -59.6 | 118.8 | 168.4 | -97.2 | 168.4 | -14.9 | 0 | 0 | 109.7 | ||||
| 364 | K | 43.7 | Very low | 43.6 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -132.6 | 128.9 | 167.7 | -144.3 | -180 | -175.3 | -169.1 | 0 | 110.4 | V362 | V362-K364 PolarHBondContact O-N 3.23Š| ||
| 365 | M | 42 | Very low | 44 | Very low | 186 Ų | 186 | 145.7 Ų | 145.7 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -73.2 | 142.5 | -179.2 | -54.3 | 166 | 178.3 | 0 | 0 | 111.3 | ||||
| 366 | A | 38.4 | Very low | 43.8 | Very low | 88 Ų | 88 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -168.1 | 109.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 367 | I | 46.1 | Very low | 44.2 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | 82.5 | 124.4 | 83.7 | -69.4 | 168.4 | 0 | 0 | 0 | 113.7 | |||||
| 368 | N | 41.4 | Very low | 44.7 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | 84.4 | 120 | 152.9 | -71.2 | 0.8 | 0 | 0 | 0 | 122.5 | ||||
| 369 | E | 45.9 | Very low | 45.2 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | 20.3 | 159.8 | 118.5 | -104.7 | -146.7 | 134 | 0 | 0 | 119.6 | |||||
| 370 | P | 57.4 | Low | 44.4 | Very low | 95 Ų | 95 | 152.4 Ų | 152.4 | 62% | 0.617 | 83% | 0.827 | S | S | * | * | cis | -139.7 | 178.1 | 15.4 | 33.6 | -10.5 | 0 | 0 | 0 | 116.5 | ||||
| 371 | S | 49.3 | Very low | 44.7 | Very low | 103 Ų | 103 | 153.4 Ų | 153.4 | 72% | 0.72 | 83% | 0.833 | S | S | * | * | trans | 25.5 | 137.9 | 151.5 | 74.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 372 | V | 47.8 | Very low | 45.3 | Very low | 210 Ų | 210 | 153.3 Ų | 153.3 | 100% | 1.273 | 84% | 0.839 | S | S | * | * | cis | -149.9 | 0 | 45.3 | 167.9 | 0 | 0 | 0 | 0 | 110 |
Retrieved 372 of 372 residues in 159.4 ms
(Link to these results)