| 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 | 34.5 | Very low | 37.7 | Very low | 225 Ų | 225 | 137.8 Ų | 137.8 | 100% | 1.108 | 76% | 0.763 | S | S | * | * | 0 | 144.5 | 0 | -81.9 | 148 | 56.4 | 0 | 0 | 108.7 | |||||
| 2 | I | 34.1 | Very low | 37.3 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 58.3 | 100 | 148 | -63.7 | 170.2 | 0 | 0 | 0 | 116.1 | ||||
| 3 | V | 38.3 | Very low | 36.9 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 89.3 | 134.2 | 80.9 | 136.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 4 | K | 41.4 | Very low | 36.8 | Very low | 173 Ų | 173 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | cis | -146.9 | 155.7 | 5.9 | -102.8 | 161.9 | -174.1 | -180 | 0 | 109.6 | ||||
| 5 | L | 41.3 | Very low | 36.6 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | 64.2 | 126.4 | 65.5 | -116.8 | 170.3 | 0 | 0 | 0 | 111.4 | |||||
| 6 | I | 45.4 | Very low | 36.3 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | cis | -134.8 | -154.9 | 32.4 | -20.8 | 178.5 | 0 | 0 | 0 | 110.9 | I8 | I6-I8 HydrophobicContact CG2-CD1 3.79Š| ||
| 7 | A | 40.9 | Very low | 36.2 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | cis | -165.7 | -172.7 | 1.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 8 | I | 39.8 | Very low | 36.2 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | -170.1 | 154.2 | -69 | -99.6 | 166.9 | 0 | 0 | 0 | 111.4 | I6 | I6-I8 HydrophobicContact CG2-CD1 3.79Š| |||
| 9 | C | 31.3 | Very low | 36.1 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 73.9 | 153.6 | 164.9 | -82.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 10 | V | 34.3 | Very low | 36 | Very low | 120 Ų | 120 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -170.6 | 144.5 | -26 | 119.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 11 | V | 33.9 | Very low | 35.9 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 23.8 | 137.8 | 148.6 | -161.4 | 0 | 0 | 0 | 0 | 120.8 | L13 | V11-L13 HydrophobicContact CG1-CD1 4.12Š| ||
| 12 | V | 32.3 | Very low | 35.7 | Very low | 132 Ų | 132 | 129 Ų | 129 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | -178.3 | 144.7 | 88.1 | 164.8 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 13 | L | 32.4 | Very low | 35.9 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | cis | 117.9 | 137.1 | 13.7 | -107.8 | 174.4 | 0 | 0 | 0 | 113 | V11 | V11-L13 HydrophobicContact CG1-CD1 4.12Š| ||
| 14 | V | 35.6 | Very low | 36.2 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | trans | 72.6 | 147.4 | 165.2 | -177.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 15 | S | 33.3 | Very low | 35.9 | Very low | 96 Ų | 96 | 124 Ų | 124 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | -139.1 | 149.1 | 10.5 | 9.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 16 | F | 32.5 | Very low | 35.7 | Very low | 205 Ų | 205 | 125.3 Ų | 125.3 | 90% | 0.899 | 76% | 0.761 | S | S | * | * | 46.6 | 133.3 | 90.3 | -66.3 | -82.7 | 0 | 0 | 0 | 116.2 | |||||
| 17 | G | 33.9 | Very low | 35.7 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | -175.7 | -173.1 | 1.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 18 | S | 36.5 | Very low | 35.7 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -69.8 | 164.7 | -177.2 | -42 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 19 | F | 33.6 | Very low | 35.9 | Very low | 206 Ų | 206 | 124.5 Ų | 124.5 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | -175.8 | 158.2 | 107 | -100.3 | -68.4 | 0 | 0 | 0 | 113.5 | |||||
| 20 | C | 34.7 | Very low | 36.7 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -86.8 | -176.6 | 168.6 | -45.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 21 | D | 33.5 | Very low | 36.8 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | cis | -164.2 | 176.6 | 5.9 | -145.1 | -35.4 | 0 | 0 | 0 | 110.5 | ||||
| 22 | A | 31.6 | Very low | 36.9 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | 69.6 | 158.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 23 | T | 38.4 | Very low | 37.8 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -98.6 | -174.8 | 178.3 | 50.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 24 | P | 43.8 | Very low | 37.7 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | cis | -133.9 | -153.2 | 14.5 | 42 | -19.9 | 0 | 0 | 0 | 114.4 | ||||
| 25 | G | 34.9 | Very low | 37.7 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | -161 | -164.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 26 | I | 37.5 | Very low | 38.1 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | 72.2 | 124.7 | 178.1 | -59.5 | 177.7 | 0 | 0 | 0 | 112.9 | ||||
| 27 | P | 45.5 | Very low | 38.5 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -144.6 | -177.8 | 60.2 | 39.5 | -19 | 0 | 0 | 0 | 118 | |||||
| 28 | S | 39.5 | Very low | 38.9 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -111.5 | 165.6 | 176.2 | 58.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 29 | P | 45.8 | Very low | 39 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -141.7 | -155.4 | 131.4 | 42.6 | -26.1 | 0 | 0 | 0 | 112.3 | ||||
| 30 | P | 47.1 | Very low | 39.7 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -133.1 | 163.3 | -102.1 | 39.2 | -19.2 | 0 | 0 | 0 | 119.1 | |||||
| 31 | K | 37.2 | Very low | 40.4 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -2 | 140 | 158.9 | -58.7 | 175.7 | 178.9 | 177.4 | 0 | 120.9 | ||||
| 32 | Q | 36 | Very low | 41 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | -161.6 | 165.7 | 109.6 | -103.5 | -175.6 | 6.6 | 0 | 0 | 112 | |||||
| 33 | P | 50.2 | Low | 41.9 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -117.7 | 169.1 | -161.9 | 42.4 | -34.3 | 0 | 0 | 0 | 116 | ||||
| 34 | L | 29.7 | Very low | 42.5 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | -177 | 141 | 129 | -103.9 | 162 | 0 | 0 | 0 | 115.7 | |||||
| 35 | Q | 36.9 | Very low | 43.2 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 69.5 | 151.5 | 143.4 | -140.7 | 151.7 | 2.2 | 0 | 0 | 121.8 | ||||
| 36 | Q | 41.3 | Very low | 44.3 | Very low | 171 Ų | 171 | 153 Ų | 153 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -101.1 | 152 | -174.5 | -62.5 | 162.1 | -68.6 | 0 | 0 | 112.2 | ||||
| 37 | S | 40.8 | Very low | 45.2 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -126.7 | 146.2 | 156.4 | 57 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 38 | H | 41.9 | Very low | 45.8 | Very low | 157 Ų | 157 | 154 Ų | 154 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -103.2 | 155.2 | -173 | -99.6 | -117.9 | 0 | 0 | 0 | 112.5 | ||||
| 39 | Q | 40 | Very low | 46.7 | Very low | 190 Ų | 190 | 155 Ų | 155 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 69.5 | 140.4 | 171.3 | -60.5 | 168.1 | 9.8 | 0 | 0 | 113.7 | ||||
| 40 | H | 47.9 | Very low | 47.5 | Very low | 169 Ų | 169 | 158.1 Ų | 158.1 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | cis | -131.9 | 151.9 | 38.1 | -179.1 | 85.8 | 0 | 0 | 0 | 113.3 | ||||
| 41 | L | 48.1 | Very low | 48.5 | Very low | 147 Ų | 147 | 161.5 Ų | 161.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -81.2 | 115.5 | 174 | -130.5 | 80 | 0 | 0 | 0 | 109.2 | T43 | L41-T43 PolarHBondContact O-N 2.79Š| ||
| 42 | Q | 47.9 | Very low | 50.1 | Low | 151 Ų | 151 | 160.2 Ų | 160.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -78.1 | 100.6 | 166.9 | -79.4 | -173.9 | -31 | 0 | 0 | 109.6 | F44 | Q42-F44 HydrophobicContact CB-CD2 4.18Å; Q42-F44 HydrophobicContact CB-CE2 3.67Å; Q42-F44 HydrophobicContact CB-CZ 4.29Å; Q42-F44 WeakPolarHBondContact O-CD2 3.35Å; Q42-F44 PolarHBondContact O-N 3.38Å | ||
| 43 | T | 48.9 | Very low | 51.9 | Low | 119 Ų | 119 | 155.4 Ų | 155.4 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | trans | -71.9 | 101.5 | 167.7 | -4.2 | 0 | 0 | 0 | 0 | 109.1 | L41 E45 | L41-T43 PolarHBondContact O-N 2.79Å; T43-E45 PolarHBondContact O-N 3.24Å | ||
| 44 | F | 52.2 | Low | 52.9 | Low | 141 Ų | 141 | 157.6 Ų | 157.6 | 62% | 0.618 | 77% | 0.769 | S | S | * | * | trans | -77.6 | 98.7 | 171.7 | -72.8 | -91.8 | 0 | 0 | 0 | 109.3 | Q42 K46 | Q42-F44 HydrophobicContact CB-CD2 4.18Å; Q42-F44 HydrophobicContact CB-CE2 3.67Å; Q42-F44 HydrophobicContact CB-CZ 4.29Å; Q42-F44 WeakPolarHBondContact O-CD2 3.35Å; Q42-F44 PolarHBondContact O-N 3.38Å; F44-K46 PolarHBondContact O-N 3.44Å | ||
| 45 | E | 57.4 | Low | 55.1 | Low | 198 Ų | 198 | 157 Ų | 157 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -70.6 | 22.8 | 179.9 | -60.6 | -170.4 | 134 | 0 | 0 | 114.3 | T43 | T43-E45 PolarHBondContact O-N 3.24Š|
| 46 | K | 58.1 | Low | 56.8 | Low | 180 Ų | 180 | 154.2 Ų | 154.2 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -147.1 | 122.1 | 173.2 | -161.2 | 169.6 | -173.8 | 176.2 | 0 | 108.9 | F44 L48 | F44-K46 PolarHBondContact O-N 3.44Å; K46-L48 PolarHBondContact O-N 2.76Å |
| 47 | E | 57.4 | Low | 58.2 | Low | 172 Ų | 172 | 154.4 Ų | 154.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -56.1 | 128.3 | 178.3 | -171.8 | 173.8 | -173.2 | 0 | 0 | 110.3 | T49 | E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.46Å | ||
| 48 | L | 57.8 | Low | 59.7 | Low | 144 Ų | 144 | 154 Ų | 154 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -74.8 | 86.7 | 178.9 | -75 | 170.1 | 0 | 0 | 0 | 109 | K46 W50 | K46-L48 PolarHBondContact O-N 2.76Å; L48-W50 PolarHBondContact O-N 3.12Å | ||
| 49 | T | 59 | Low | 61.4 | Low | 127 Ų | 127 | 153.5 Ų | 153.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -72.6 | 51.5 | 176 | 60.1 | 0 | 0 | 0 | 0 | 112 | E47 | E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.46Å | ||
| 50 | W | 61.1 | Low | 62.9 | Low | 189 Ų | 189 | 150.1 Ų | 150.1 | 72% | 0.716 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 116.3 | 170.2 | -171.7 | 84.8 | 0 | 0 | 0 | 108.8 | L48 Y52 | L48-W50 PolarHBondContact O-N 3.12Å; W50-Y52 AromaticContact CH2-CD2 3.62Å; W50-Y52 HydrophobicContact CH2-CD2 3.62Å; W50-Y52 HydrophobicContact CH2-CE2 4.36Å; W50-Y52 HydrophobicContact CH2-CG 4.31Å; W50-Y52 HydrophobicContact CZ3-CD2 4.16Å |
| 51 | K | 69.2 | Low | 63.9 | Low | 184 Ų | 184 | 151.3 Ų | 151.3 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 150 | 161.3 | -71 | -171.1 | 174.7 | -173 | 0 | 108.6 | ||
| 52 | Y | 70.4 | Confident | 65 | Low | 174 Ų | 174 | 149.4 Ų | 149.4 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.3 | 164.5 | -155.4 | -93.1 | 0 | 0 | 0 | 108.4 | W50 D54 | W50-Y52 AromaticContact CH2-CD2 3.62Å; W50-Y52 HydrophobicContact CH2-CD2 3.62Å; W50-Y52 HydrophobicContact CH2-CE2 4.36Å; W50-Y52 HydrophobicContact CH2-CG 4.31Å; W50-Y52 HydrophobicContact CZ3-CD2 4.16Å; Y52-D54 PolarHBondContact O-N 3.14Å |
| 53 | P | 73.2 | Confident | 66 | Low | 93 Ų | 93 | 149.7 Ų | 149.7 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130.2 | 173.3 | -21.9 | 33 | 0 | 0 | 0 | 109.5 | D55 | P53-D55 PolarHBondContact O-N 2.67Š|
| 54 | D | 72.6 | Confident | 66.9 | Low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 141.2 | 175 | -61.1 | -70.1 | 0 | 0 | 0 | 109.7 | Y52 | Y52-D54 PolarHBondContact O-N 3.14Š|
| 55 | D | 75.4 | Confident | 67.1 | Low | 139 Ų | 139 | 151.2 Ų | 151.2 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 132.2 | 179.9 | -79 | -48.7 | 0 | 0 | 0 | 109.8 | P53 Q57 | P53-D55 PolarHBondContact O-N 2.67Å; D55-Q57 PolarHBondContact O-N 2.91Å |
| 56 | P | 71.5 | Confident | 67.4 | Low | 118 Ų | 118 | 149.5 Ų | 149.5 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -56.5 | 115.7 | -172.3 | 22 | -32.8 | 0 | 0 | 0 | 109.3 | P58 | P56-P58 VanDerWaalsContact O-N 3.09Š| ||
| 57 | Q | 71.6 | Confident | 67.5 | Low | 174 Ų | 174 | 148.7 Ų | 148.7 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -48.4 | 120.8 | 176.4 | -76.4 | -77.4 | -73.5 | 0 | 0 | 107.8 | D55 D59 | D55-Q57 PolarHBondContact O-N 2.91Å; Q57-D59 PolarHBondContact O-N 3.44Å | ||
| 58 | P | 72.4 | Confident | 66.8 | Low | 112 Ų | 112 | 144.8 Ų | 144.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -59.1 | 128.4 | -177.5 | 23.9 | -33.2 | 0 | 0 | 0 | 108.2 | P56 | P56-P58 VanDerWaalsContact O-N 3.09Š| ||
| 59 | D | 76.8 | Confident | 66.5 | Low | 147 Ų | 147 | 148.9 Ų | 148.9 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -44.2 | 129.6 | -171.3 | -75.2 | -62.4 | 0 | 0 | 0 | 110.7 | Q57 K61 | Q57-D59 PolarHBondContact O-N 3.44Å; D59-K61 PolarHBondContact O-N 2.89Å | ||
| 60 | P | 71.7 | Confident | 66.1 | Low | 120 Ų | 120 | 151.7 Ų | 151.7 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -59.2 | 106.5 | -172.6 | 23.1 | -33.3 | 0 | 0 | 0 | 108.5 | ||||
| 61 | K | 68.6 | Low | 65.7 | Low | 193 Ų | 193 | 147.5 Ų | 147.5 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -47.9 | 120.6 | -172.9 | -70.8 | -179.1 | 178.8 | 177.9 | 0 | 108.2 | D59 N63 | D59-K61 PolarHBondContact O-N 2.89Å; K61-N63 PolarHBondContact O-N 2.85Å | ||
| 62 | P | 72.8 | Confident | 64.7 | Low | 108 Ų | 108 | 141.7 Ų | 141.7 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -56.6 | 131.6 | -174.9 | 21.7 | -32.5 | 0 | 0 | 0 | 108.4 | V64 | P62-V64 HydrophobicContact CB-CG2 4.45Å; P62-V64 HydrophobicContact CG-CG2 4.41Å; P62-V64 PolarHBondContact O-N 3.42Å | ||
| 63 | N | 68.1 | Low | 64.1 | Low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | -74 | 70.3 | -179.9 | -171.6 | 14 | 0 | 0 | 0 | 109.8 | K61 Q65 | K61-N63 PolarHBondContact O-N 2.85Å; N63-Q65 PolarHBondContact O-N 3.19Å | ||
| 64 | V | 68.5 | Low | 63.4 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 65% | 0.648 | 72% | 0.722 | S | S | * | * | trans | -64.6 | 121 | 170.6 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | P62 F66 | P62-V64 HydrophobicContact CB-CG2 4.45Å; P62-V64 HydrophobicContact CG-CG2 4.41Å; P62-V64 PolarHBondContact O-N 3.42Å; V64-F66 PolarHBondContact O-N 2.88Å | ||
| 65 | Q | 56.7 | Low | 62.8 | Low | 184 Ų | 184 | 132 Ų | 132 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | trans | -66.6 | 84.4 | 170.1 | -73.8 | -177.9 | -34.9 | 0 | 0 | 109.3 | N63 E67 | N63-Q65 PolarHBondContact O-N 3.19Å; Q65-E67 PolarHBondContact O-N 3Å | ||
| 66 | F | 62.3 | Low | 62.1 | Low | 163 Ų | 163 | 129.9 Ų | 129.9 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | trans | -77.4 | 79.1 | 172.6 | 176.8 | -116.6 | 0 | 0 | 0 | 109.2 | V64 L68 | V64-F66 PolarHBondContact O-N 2.88Å; F66-L68 HydrophobicContact CE1-CB 4.02Å; F66-L68 HydrophobicContact CE1-CD1 3.96Å; F66-L68 HydrophobicContact CE1-CG 3.83Å; F66-L68 HydrophobicContact CZ-CB 4.27Å; F66-L68 HydrophobicContact CZ-CD1 4.42Å; F66-L68 HydrophobicContact CZ-CG 3.9Å; F66-L68 PolarHBondContact O-N 2.85Å; F66-L68 VanDerWaalsContact O-N 3.12Å | ||
| 67 | E | 59.7 | Low | 62 | Low | 162 Ų | 162 | 127.9 Ų | 127.9 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | trans | -64 | 107.6 | 164.9 | -162.6 | 70.4 | -128.9 | 0 | 0 | 107.7 | Q65 R69 | Q65-E67 PolarHBondContact O-N 3Å; E67-R69 VanDerWaalsContact C-N 3.33Å; E67-R69 PolarHBondContact O-N 2.93Å | ||
| 68 | L | 43.9 | Very low | 62.6 | Low | 91 Ų | 91 | 120.1 Ų | 120.1 | 48% | 0.476 | 66% | 0.66 | S | S | . | * | trans | -73 | 90.4 | -176.9 | -159.5 | 165.6 | 0 | 0 | 0 | 108.2 | F66 Y70 | F66-L68 HydrophobicContact CE1-CB 4.02Å; F66-L68 HydrophobicContact CE1-CD1 3.96Å; F66-L68 HydrophobicContact CE1-CG 3.83Å; F66-L68 HydrophobicContact CZ-CB 4.27Å; F66-L68 HydrophobicContact CZ-CD1 4.42Å; F66-L68 HydrophobicContact CZ-CG 3.9Å; F66-L68 PolarHBondContact O-N 2.85Å; F66-L68 VanDerWaalsContact O-N 3.12Å; L68-Y70 WeakPolarHBondContact O-CD2 3.37Å; L68-Y70 WeakPolarHBondContact O-CE2 3.18Å; L68-Y70 PolarHBondContact O-N 3.35Å | ||
| 69 | R | 50.4 | Low | 63.4 | Low | 229 Ų | 229 | 115.9 Ų | 115.9 | 86% | 0.864 | 63% | 0.632 | S | S | * | * | trans | -62.9 | 94.8 | 177.6 | -70.6 | -169.3 | -178.6 | -166.1 | 1.3 | 110.2 | E67 | E67-R69 VanDerWaalsContact C-N 3.33Å; E67-R69 PolarHBondContact O-N 2.93Å | ||
| 70 | Y | 51.2 | Low | 64.1 | Low | 187 Ų | 187 | 111.5 Ų | 111.5 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -52 | 138.2 | 163.5 | -63.9 | -87 | 0 | 0 | 0 | 109.2 | L68 G72 | L68-Y70 WeakPolarHBondContact O-CD2 3.37Å; L68-Y70 WeakPolarHBondContact O-CE2 3.18Å; L68-Y70 PolarHBondContact O-N 3.35Å; Y70-G72 PolarHBondContact O-N 3.24Å |
| 71 | P | 52.3 | Low | 65 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.3 | 171.3 | 25.6 | -33.1 | 0 | 0 | 0 | 108.4 | ||
| 72 | G | 49.6 | Very low | 66.3 | Low | 62 Ų | 62 | 102.9 Ų | 102.9 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y70 V74 | Y70-G72 PolarHBondContact O-N 3.24Å; G72-V74 PolarHBondContact O-N 2.86Å |
| 73 | T | 56.1 | Low | 67.3 | Low | 135 Ų | 135 | 100 Ų | 100 | 83% | 0.828 | 56% | 0.557 | S | S | * | * | trans | -44.7 | 134.6 | 162 | 48.1 | 0 | 0 | 0 | 0 | 110 | P75 | T73-P75 VanDerWaalsContact O-N 3.12Š| ||
| 74 | V | 58.7 | Low | 68.5 | Low | 29 Ų | 29 | 96.4 Ų | 96.4 | 18% | 0.176 | 53% | 0.531 | C | S | . | . | trans | -42 | 119.9 | 175.9 | 168.4 | 0 | 0 | 0 | 0 | 109.6 | G72 A76 T78 L96 F97 A169 V171 | G72-V74 PolarHBondContact O-N 2.86Å; V74-A76 PolarHBondContact O-N 2.94Å; V74-T78 VanDerWaalsContact CG1-OG1 3.26Å; V74-T78 WeakPolarHBondContact CG1-OG1 3.42Å; V74-L96 HydrophobicContact CG1-CD1 3.83Å; V74-L96 HydrophobicContact CG1-CG 4.18Å; V74-L96 WeakPolarHBondContact CG1-O 3.31Å; V74-L96 HydrophobicContact CG2-CG 4.42Å; V74-F97 HydrophobicContact CG2-CD1 4.2Å; V74-F97 HydrophobicContact CG2-CE1 3.87Å; V74-A169 HydrophobicContact CG2-CB 4.01Å; V74-V171 HydrophobicContact CB-CG2 3.84Å; V74-V171 HydrophobicContact CG1-CG2 3.71Å; V74-V171 HydrophobicContact CG2-CG2 3.93Å | ||
| 75 | P | 61.3 | Low | 69.6 | Low | 54 Ų | 54 | 100 Ų | 100 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | trans | -64.7 | 129.5 | -172.7 | -20.2 | 30.9 | 0 | 0 | 0 | 110.1 | T73 A77 T78 | T73-P75 VanDerWaalsContact O-N 3.12Å; P75-A77 PolarHBondContact O-N 2.86Å; P75-T78 HydrophobicContact CB-CG2 4.18Å; P75-T78 HydrophobicContact CG-CG2 4.29Å; P75-T78 WeakPolarHBondContact O-CB 3.05Å; P75-T78 PolarHBondContact O-N 3.13Å; P75-T78 PolarHBondContact O-OG1 3.19Å | ||
| 76 | A | 60.2 | Low | 71.2 | Confident | 95 Ų | 95 | 94.2 Ų | 94.2 | 79% | 0.785 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -56.5 | -18.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V74 T78 | V74-A76 PolarHBondContact O-N 2.94Å; A76-T78 PolarHBondContact O-N 3.49Å |
| 77 | A | 68.4 | Low | 72.7 | Confident | 77 Ų | 77 | 88.3 Ų | 88.3 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -78.1 | 5.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115 | P75 K93 | P75-A77 PolarHBondContact O-N 2.86Å; A77-K93 PolarHBondContact O-NZ 2.82Å |
| 78 | T | 84.1 | Confident | 74.3 | Confident | 10 Ų | 10 | 80.6 Ų | 80.6 | 6% | 0.061 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -102 | -17.5 | 178.3 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | V74 P75 A76 K93 L96 | V74-T78 VanDerWaalsContact CG1-OG1 3.26Å; V74-T78 WeakPolarHBondContact CG1-OG1 3.42Å; P75-T78 HydrophobicContact CB-CG2 4.18Å; P75-T78 HydrophobicContact CG-CG2 4.29Å; P75-T78 WeakPolarHBondContact O-CB 3.05Å; P75-T78 PolarHBondContact O-N 3.13Å; P75-T78 PolarHBondContact O-OG1 3.19Å; A76-T78 PolarHBondContact O-N 3.49Å; T78-K93 PolarHBondContact O-N 2.75Å; T78-L96 PolarHBondContact OG1-O 3.01Å |
| 79 | V | 89.4 | Confident | 76.7 | Confident | 24 Ų | 24 | 77.3 Ų | 77.3 | 15% | 0.145 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.1 | 177.7 | -176.7 | 0 | 0 | 0 | 0 | 109 | V90 E91 A92 L96 L151 V171 V173 | V79-V90 HydrophobicContact CG1-CG1 3.79Å; V79-E91 CarbonylContact C-O 3.58Å; V79-E91 VanDerWaalsContact CA-O 3.31Å; V79-E91 WeakPolarHBondContact CA-O 3.39Å; V79-A92 HydrophobicContact CG2-CB 4.27Å; V79-L96 HydrophobicContact CG2-CD1 3.88Å; V79-L151 HydrophobicContact CG1-CD2 3.99Å; V79-L151 HydrophobicContact CG2-CD2 3.85Å; V79-V171 HydrophobicContact CG2-CG1 4.34Å; V79-V173 HydrophobicContact CG1-CG2 4.26Å |
| 80 | A | 91.1 | Very high | 78.8 | Confident | 54 Ų | 54 | 66.4 Ų | 66.4 | 45% | 0.446 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 152.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V90 E91 | A80-V90 WeakPolarHBondContact O-CA 3.23Å; A80-E91 HydrophobicContact CB-CB 4.41Å; A80-E91 PolarHBondContact N-O 3.17Å; A80-E91 PolarHBondContact O-N 2.91Å |
| 81 | V | 92.6 | Very high | 80.8 | Confident | 62 Ų | 62 | 61 Ų | 61 | 38% | 0.376 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 125.6 | -173.9 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | V90 V173 | V81-V90 HydrophobicContact CG1-CG2 4.48Å; V81-V173 HydrophobicContact CG1-CG1 3.89Å; V81-V173 HydrophobicContact CG2-CB 4.48Å; V81-V173 HydrophobicContact CG2-CG1 3.79Å; V81-V173 HydrophobicContact CG2-CG2 4.13Å |
| 82 | D | 94.4 | Very high | 82.7 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.2 | 172.5 | 169.8 | 34.7 | 0 | 0 | 0 | 108.8 | R84 H89 | D82-R84 IonicContact OD2-CZ 3.65Å; D82-R84 VanDerWaalsContact OD2-CZ 3.24Å; D82-R84 IonicContact OD2-NE 3.75Å; D82-R84 PolarHBondContact OD2-NE 2.83Å; D82-R84 IonicContact OD2-NH2 2.78Å; D82-R84 PolarHBondContact OD2-NH2 3.17Å; D82-H89 HydrophobicContact CB-CB 4.1Å; D82-H89 PolarHBondContact N-O 2.88Å; D82-H89 PolarHBondContact O-N 2.86Å |
| 83 | C | 94.3 | Very high | 84.6 | Confident | 49 Ų | 49 | 58 Ų | 58 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 87.3 | -165.6 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | C175 Y177 | C83-C175 HydrophobicContact CB-CB 3.75Å; C83-C175 WeakPolarHBondContact CB-SG 3.41Å; C83-C175 WeakPolarHBondContact SG-CA 3.48Å; C83-C175 WeakPolarHBondContact SG-CB 3.36Å; C83-C175 CovalentContact SG-SG 2.04Å; C83-C175 PolarHBondContact SG-SG 3.48Å; C83-Y177 VanDerWaalsContact C-OH 3.32Å; C83-Y177 WeakPolarHBondContact CA-OH 3.41Å; C83-Y177 HydrophobicContact CB-CE1 4.41Å; C83-Y177 WeakPolarHBondContact CB-OH 3.38Å |
| 84 | R | 93.5 | Very high | 86.2 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | trans | -88 | 170 | -176.5 | -50.7 | -176 | -170.1 | 138.8 | 14.8 | 111.4 | D82 A86 V87 H89 E128 Y177 | D82-R84 IonicContact OD2-CZ 3.65Å; D82-R84 VanDerWaalsContact OD2-CZ 3.24Å; D82-R84 IonicContact OD2-NE 3.75Å; D82-R84 PolarHBondContact OD2-NE 2.83Å; D82-R84 IonicContact OD2-NH2 2.78Å; D82-R84 PolarHBondContact OD2-NH2 3.17Å; R84-A86 PolarHBondContact O-N 3.46Å; R84-V87 WeakPolarHBondContact CA-O 3.45Å; R84-V87 WeakPolarHBondContact CB-O 3.43Å; R84-V87 PolarHBondContact N-O 3.2Å; R84-V87 PolarHBondContact O-N 3.05Å; R84-H89 VanDerWaalsContact NH2-CB 3.34Å; R84-H89 PolarHBondContact NH2-ND1 3.12Å; R84-E128 IonicContact CZ-OE1 3.69Å; R84-E128 IonicContact NH1-OE1 3.73Å; R84-E128 PolarHBondContact NH1-OE1 3.13Å; R84-Y177 PolarHBondContact O-OH 3.21Å | ||
| 85 | E | 90.6 | Very high | 87.5 | Confident | 182 Ų | 182 | 53.3 Ų | 53.3 | 85% | 0.85 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -55.5 | -28.2 | -167.1 | -58 | 91.4 | 153.2 | 0 | 0 | 114.9 | ||
| 86 | A | 90.9 | Very high | 88.5 | Confident | 62 Ų | 62 | 50.8 Ų | 50.8 | 51% | 0.512 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -138.5 | 0.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R84 E130 L131 | R84-A86 PolarHBondContact O-N 3.46Å; A86-E130 WeakPolarHBondContact O-CA 3.49Å; A86-L131 PolarHBondContact O-N 2.03Å; A86-L131 VanDerWaalsContact O-N 3.08Å |
| 87 | V | 93.3 | Very high | 89.6 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131.2 | -168.5 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | R84 E128 V129 | R84-V87 WeakPolarHBondContact CA-O 3.45Å; R84-V87 WeakPolarHBondContact CB-O 3.43Å; R84-V87 PolarHBondContact N-O 3.2Å; R84-V87 PolarHBondContact O-N 3.05Å; V87-E128 HydrophobicContact CG1-CB 4.22Å; V87-V129 CarbonylContact C-O 3.5Å; V87-V129 WeakPolarHBondContact CA-O 3.42Å |
| 88 | A | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V129 L131 Y149 | A88-V129 HydrophobicContact CB-CG2 4.2Å; A88-V129 PolarHBondContact N-O 2.78Å; A88-V129 PolarHBondContact O-N 2.8Å; A88-L131 HydrophobicContact CB-CD2 4.24Å; A88-Y149 HydrophobicContact CB-CE2 3.91Å |
| 89 | H | 94.8 | Very high | 89.9 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113 | 173 | 172.4 | 103.4 | 0 | 0 | 0 | 107.9 | D82 R84 E91 Y127 E128 | D82-H89 HydrophobicContact CB-CB 4.1Å; D82-H89 PolarHBondContact N-O 2.88Å; D82-H89 PolarHBondContact O-N 2.86Å; R84-H89 VanDerWaalsContact NH2-CB 3.34Å; R84-H89 PolarHBondContact NH2-ND1 3.12Å; H89-E91 IonicContact CD2-OE1 3.47Å; H89-E91 IonicContact CE1-OE1 3.53Å; H89-E91 WeakPolarHBondContact NE2-CG 3.2Å; H89-E91 IonicContact NE2-OE1 2.89Å; H89-E91 PolarHBondContact NE2-OE1 2.78Å; H89-Y127 WeakPolarHBondContact CA-O 3.36Å; H89-E128 HydrophobicContact CB-CG 4.46Å; H89-E128 IonicContact ND1-OE1 3.24Å |
| 90 | V | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.7 | -175.7 | -174 | 0 | 0 | 0 | 0 | 109.4 | V79 A80 V81 L110 I126 Y127 V173 | V79-V90 HydrophobicContact CG1-CG1 3.79Å; A80-V90 WeakPolarHBondContact O-CA 3.23Å; V81-V90 HydrophobicContact CG1-CG2 4.48Å; V90-L110 HydrophobicContact CB-CD2 4.29Å; V90-L110 HydrophobicContact CG2-CD2 3.89Å; V90-I126 WeakPolarHBondContact O-CA 3.31Å; V90-Y127 PolarHBondContact N-O 2.86Å; V90-Y127 PolarHBondContact O-N 3.31Å; V90-V173 HydrophobicContact CG1-CG2 4.33Å; V90-V173 HydrophobicContact CG2-CG1 3.96Å |
| 91 | E | 93.4 | Very high | 88.9 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119 | 176.8 | -62.4 | 179.9 | 178.8 | 0 | 0 | 109.4 | V79 A80 H89 L125 | V79-E91 CarbonylContact C-O 3.58Å; V79-E91 VanDerWaalsContact CA-O 3.31Å; V79-E91 WeakPolarHBondContact CA-O 3.39Å; A80-E91 HydrophobicContact CB-CB 4.41Å; A80-E91 PolarHBondContact N-O 3.17Å; A80-E91 PolarHBondContact O-N 2.91Å; H89-E91 IonicContact CD2-OE1 3.47Å; H89-E91 IonicContact CE1-OE1 3.53Å; H89-E91 WeakPolarHBondContact NE2-CG 3.2Å; H89-E91 IonicContact NE2-OE1 2.89Å; H89-E91 PolarHBondContact NE2-OE1 2.78Å; E91-L125 WeakPolarHBondContact CA-O 3.27Å |
| 92 | A | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V79 L108 V124 L125 Y127 L151 | V79-A92 HydrophobicContact CG2-CB 4.27Å; A92-L108 HydrophobicContact CB-CD2 3.68Å; A92-V124 CarbonylContact O-C 3.52Å; A92-V124 WeakPolarHBondContact O-CA 3.26Å; A92-L125 PolarHBondContact N-O 3.24Å; A92-L125 PolarHBondContact O-N 2.86Å; A92-Y127 HydrophobicContact CB-CE2 4.41Å; A92-L151 HydrophobicContact CB-CD2 3.94Å |
| 93 | K | 91.1 | Very high | 88.1 | Confident | 99 Ų | 99 | 55.7 Ų | 55.7 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 140.5 | 176.4 | -70 | 177.6 | -172.4 | 158.6 | 0 | 110.9 | A77 T78 D95 L96 V124 | A77-K93 PolarHBondContact O-NZ 2.82Å; T78-K93 PolarHBondContact O-N 2.75Å; K93-D95 PolarHBondContact O-N 3.35Å; K93-L96 PolarHBondContact O-N 3Å; K93-V124 HydrophobicContact CG-CG1 3.83Å |
| 94 | M | 88.1 | Confident | 87.8 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -61.5 | -33.8 | 174.4 | -66.5 | 172.6 | 178.9 | 0 | 0 | 111.1 | L96 P102 I103 E118 Q123 L125 | M94-L96 PolarHBondContact O-N 2.9Å; M94-P102 HydrophobicContact CB-CB 3.91Å; M94-P102 CarbonylContact O-C 3.54Å; M94-P102 WeakPolarHBondContact O-CA 3.5Å; M94-I103 WeakPolarHBondContact O-CG1 3.42Å; M94-I103 PolarHBondContact O-N 3.48Å; M94-E118 HydrophobicContact CE-CB 4.34Å; M94-Q123 HydrophobicContact CB-CB 4.44Å; M94-Q123 HydrophobicContact CG-CB 4.48Å; M94-Q123 WeakPolarHBondContact CG-O 3.49Å; M94-Q123 PolarHBondContact N-O 2.84Å; M94-Q123 HydrophobicContact SD-CB 4.01Å; M94-L125 HydrophobicContact CE-CD2 3.68Å; M94-L125 HydrophobicContact CE-CG 4.48Å; M94-L125 HydrophobicContact CG-CD2 4.36Å; M94-L125 HydrophobicContact CG-CG 4.25Å |
| 95 | D | 86.7 | Confident | 87.4 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -81.5 | 64.4 | 165 | -173.5 | 20.7 | 0 | 0 | 0 | 111.3 | K93 F97 G98 I99 G100 | K93-D95 PolarHBondContact O-N 3.35Å; D95-F97 PolarHBondContact O-N 2.97Å; D95-F97 VanDerWaalsContact O-N 3.12Å; D95-G98 PolarHBondContact O-N 3.18Å; D95-G98 PolarHBondContact OD1-N 3.21Å; D95-G98 VanDerWaalsContact OD1-N 3.13Å; D95-G98 VanDerWaalsContact OD2-CA 3.31Å; D95-G98 WeakPolarHBondContact OD2-CA 3.46Å; D95-I99 PolarHBondContact OD1-N 2.77Å; D95-I99 PolarHBondContact OD2-N 3.34Å; D95-G100 VanDerWaalsContact CG-N 3.27Å; D95-G100 PolarHBondContact OD1-N 3.2Å; D95-G100 WeakPolarHBondContact OD2-CA 3.49Å; D95-G100 PolarHBondContact OD2-N 2.96Å |
| 96 | L | 83.2 | Confident | 87.2 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.4 | -176.5 | -175.5 | 64.1 | 0 | 0 | 0 | 113.4 | V74 T78 V79 K93 M94 I103 L108 Y153 | V74-L96 HydrophobicContact CG1-CD1 3.83Å; V74-L96 HydrophobicContact CG1-CG 4.18Å; V74-L96 WeakPolarHBondContact CG1-O 3.31Å; V74-L96 HydrophobicContact CG2-CG 4.42Å; T78-L96 PolarHBondContact OG1-O 3.01Å; V79-L96 HydrophobicContact CG2-CD1 3.88Å; K93-L96 PolarHBondContact O-N 3Å; M94-L96 PolarHBondContact O-N 2.9Å; L96-I103 HydrophobicContact CB-CD1 4.15Å; L96-I103 HydrophobicContact CB-CG2 4.28Å; L96-I103 HydrophobicContact CD2-CD1 4.08Å; L96-L108 HydrophobicContact CD2-CD1 3.77Å; L96-Y153 HydrophobicContact CD2-CD2 4.42Å; L96-Y153 HydrophobicContact CD2-CG 4.19Å |
| 97 | F | 81.6 | Confident | 87.1 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -5.7 | -178.2 | -61.2 | -76.4 | 0 | 0 | 0 | 113.7 | V74 D95 I99 I103 Y153 A169 | V74-F97 HydrophobicContact CG2-CD1 4.2Å; V74-F97 HydrophobicContact CG2-CE1 3.87Å; D95-F97 PolarHBondContact O-N 2.97Å; D95-F97 VanDerWaalsContact O-N 3.12Å; F97-I99 VanDerWaalsContact C-N 3.32Å; F97-I99 HydrophobicContact CB-CD1 4.11Å; F97-I99 HydrophobicContact CB-CG1 4.07Å; F97-I99 HydrophobicContact CB-CG2 3.99Å; F97-I103 HydrophobicContact CD2-CG2 4.4Å; F97-I103 HydrophobicContact CE2-CG2 4.2Å; F97-Y153 AromaticContact CE2-CD1 3.82Å; F97-Y153 HydrophobicContact CE2-CD1 3.82Å; F97-Y153 AromaticContact CE2-CE1 3.66Å; F97-Y153 HydrophobicContact CE2-CE1 3.66Å; F97-Y153 HydrophobicContact CE2-CG 4.46Å; F97-Y153 AromaticContact CZ-CD1 3.57Å; F97-Y153 HydrophobicContact CZ-CD1 3.57Å; F97-Y153 AromaticContact CZ-CE1 3.82Å; F97-Y153 HydrophobicContact CZ-CE1 3.82Å; F97-Y153 HydrophobicContact CZ-CG 4.31Å; F97-A169 HydrophobicContact CE1-CB 4.2Å; F97-A169 HydrophobicContact CZ-CB 4.34Å |
| 98 | G | 79.6 | Confident | 86.9 | Confident | 52 Ų | 52 | 45.6 Ų | 45.6 | 54% | 0.536 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 66.8 | 31.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D95 | D95-G98 PolarHBondContact O-N 3.18Å; D95-G98 PolarHBondContact OD1-N 3.21Å; D95-G98 VanDerWaalsContact OD1-N 3.13Å; D95-G98 VanDerWaalsContact OD2-CA 3.31Å; D95-G98 WeakPolarHBondContact OD2-CA 3.46Å |
| 99 | I | 79.1 | Confident | 86.9 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 55% | 0.549 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -107.9 | 1.6 | -175.4 | 63.5 | 177.2 | 0 | 0 | 0 | 113.1 | D95 F97 Q101 | D95-I99 PolarHBondContact OD1-N 2.77Å; D95-I99 PolarHBondContact OD2-N 3.34Å; F97-I99 VanDerWaalsContact C-N 3.32Å; F97-I99 HydrophobicContact CB-CD1 4.11Å; F97-I99 HydrophobicContact CB-CG1 4.07Å; F97-I99 HydrophobicContact CB-CG2 3.99Å; I99-Q101 VanDerWaalsContact C-N 3.26Å; I99-Q101 HydrophobicContact CD1-CB 4.2Å; I99-Q101 HydrophobicContact CG1-CB 4.08Å; I99-Q101 PolarHBondContact O-N 2.81Å |
| 100 | G | 78.8 | Confident | 86.7 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 67% | 0.67 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 73.6 | 11.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D95 | D95-G100 VanDerWaalsContact CG-N 3.27Å; D95-G100 PolarHBondContact OD1-N 3.2Å; D95-G100 WeakPolarHBondContact OD2-CA 3.49Å; D95-G100 PolarHBondContact OD2-N 2.96Å |
| 101 | Q | 81.3 | Confident | 86.5 | Confident | 136 Ų | 136 | 47.3 Ų | 47.3 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | trans | -115.5 | 115.6 | 176.1 | -176.9 | 178 | -14.8 | 0 | 0 | 109.6 | I99 | I99-Q101 VanDerWaalsContact C-N 3.26Å; I99-Q101 HydrophobicContact CD1-CB 4.2Å; I99-Q101 HydrophobicContact CG1-CB 4.08Å; I99-Q101 PolarHBondContact O-N 2.81Å | ||
| 102 | P | 84.9 | Confident | 86.3 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 49% | 0.494 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 140.8 | 177.5 | 28.6 | -34.1 | 0 | 0 | 0 | 111.4 | M94 | M94-P102 HydrophobicContact CB-CB 3.91Å; M94-P102 CarbonylContact O-C 3.54Å; M94-P102 WeakPolarHBondContact O-CA 3.5Å |
| 103 | I | 86.3 | Confident | 86.3 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 163 | 169.5 | 70.3 | 179.6 | 0 | 0 | 0 | 111.4 | M94 L96 F97 L108 Y153 | M94-I103 WeakPolarHBondContact O-CG1 3.42Å; M94-I103 PolarHBondContact O-N 3.48Å; L96-I103 HydrophobicContact CB-CD1 4.15Å; L96-I103 HydrophobicContact CB-CG2 4.28Å; L96-I103 HydrophobicContact CD2-CD1 4.08Å; F97-I103 HydrophobicContact CD2-CG2 4.4Å; F97-I103 HydrophobicContact CE2-CG2 4.2Å; I103-L108 HydrophobicContact CD1-CB 3.93Å; I103-L108 HydrophobicContact CD1-CD1 4.37Å; I103-L108 HydrophobicContact CD1-CD2 3.98Å; I103-L108 HydrophobicContact CD1-CG 4.31Å; I103-Y153 HydrophobicContact CB-CE2 3.76Å; I103-Y153 HydrophobicContact CD1-CD2 4Å; I103-Y153 HydrophobicContact CD1-CE2 4.09Å; I103-Y153 HydrophobicContact CG1-CE2 4.46Å; I103-Y153 HydrophobicContact CG2-CD2 4.39Å; I103-Y153 HydrophobicContact CG2-CE2 3.71Å |
| 104 | N | 86.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 127.8 | 167.4 | 174.7 | 10.7 | 0 | 0 | 0 | 109.8 | S106 D107 S156 | N104-S106 PolarHBondContact O-N 3.41Å; N104-S106 VanDerWaalsContact O-N 3.13Å; N104-S106 PolarHBondContact OD1-N 2.8Å; N104-S106 VanDerWaalsContact OD1-N 3.12Å; N104-D107 HydrophobicContact CB-CB 4.21Å; N104-D107 PolarHBondContact ND2-OD1 3.32Å; N104-D107 WeakPolarHBondContact O-CB 3.33Å; N104-D107 PolarHBondContact O-N 2.67Å; N104-S156 PolarHBondContact ND2-OG 2.04Å |
| 105 | P | 86.4 | Confident | 86.6 | Confident | 28 Ų | 28 | 52.8 Ų | 52.8 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -57.1 | -26 | 177.2 | -28 | 36.3 | 0 | 0 | 0 | 115.3 | D107 H115 E118 L125 | P105-D107 VanDerWaalsContact C-N 3.31Å; P105-H115 PolarHBondContact O-CE1 2.86Å; P105-H115 PolarHBondContact O-ND1 3.35Å; P105-E118 WeakPolarHBondContact CB-OE1 3.42Å; P105-E118 WeakPolarHBondContact CG-OE1 3.26Å; P105-L125 HydrophobicContact CB-CD1 4.25Å; P105-L125 HydrophobicContact CB-CD2 3.73Å; P105-L125 HydrophobicContact CG-CD2 3.98Å |
| 106 | S | 86.8 | Confident | 86.8 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 64% | 0.643 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -75.8 | -16.1 | 175.5 | -54.7 | 0 | 0 | 0 | 0 | 113.9 | N104 L108 | N104-S106 PolarHBondContact O-N 3.41Å; N104-S106 VanDerWaalsContact O-N 3.13Å; N104-S106 PolarHBondContact OD1-N 2.8Å; N104-S106 VanDerWaalsContact OD1-N 3.12Å; S106-L108 VanDerWaalsContact C-N 3.35Å |
| 107 | D | 87.6 | Confident | 87.2 | Confident | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -88.9 | -1.4 | -176.8 | -67.6 | 6.5 | 0 | 0 | 0 | 112.4 | N104 P105 Y153 S154 P155 S156 | N104-D107 HydrophobicContact CB-CB 4.21Å; N104-D107 PolarHBondContact ND2-OD1 3.32Å; N104-D107 WeakPolarHBondContact O-CB 3.33Å; N104-D107 PolarHBondContact O-N 2.67Å; P105-D107 VanDerWaalsContact C-N 3.31Å; D107-Y153 HydrophobicContact CB-CD2 4.1Å; D107-Y153 HydrophobicContact CB-CE2 3.62Å; D107-Y153 CarbonylContact O-C 3.54Å; D107-Y153 WeakPolarHBondContact O-CA 3.4Å; D107-Y153 WeakPolarHBondContact O-CD2 3.36Å; D107-S154 WeakPolarHBondContact CB-O 3.44Å; D107-S154 PolarHBondContact O-N 3.47Å; D107-P155 WeakPolarHBondContact OD2-CA 3.08Å; D107-S156 VanDerWaalsContact CG-N 3.33Å; D107-S156 VanDerWaalsContact CG-OG 3.31Å; D107-S156 VanDerWaalsContact OD1-CB 3.27Å; D107-S156 WeakPolarHBondContact OD1-CB 3.41Å; D107-S156 PolarHBondContact OD1-N 3.09Å; D107-S156 PolarHBondContact OD1-OG 2.95Å; D107-S156 PolarHBondContact OD2-N 2.96Å; D107-S156 PolarHBondContact OD2-OG 2.88Å; D107-S156 VanDerWaalsContact OD2-OG 3.14Å |
| 108 | L | 90.2 | Very high | 87.7 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.8 | -178 | -166.9 | 71.9 | 0 | 0 | 0 | 111.7 | A92 L96 I103 S106 L125 Y127 L151 Y153 | A92-L108 HydrophobicContact CB-CD2 3.68Å; L96-L108 HydrophobicContact CD2-CD1 3.77Å; I103-L108 HydrophobicContact CD1-CB 3.93Å; I103-L108 HydrophobicContact CD1-CD1 4.37Å; I103-L108 HydrophobicContact CD1-CD2 3.98Å; I103-L108 HydrophobicContact CD1-CG 4.31Å; S106-L108 VanDerWaalsContact C-N 3.35Å; L108-L125 HydrophobicContact CB-CD1 4.31Å; L108-L125 HydrophobicContact CD2-CD1 3.99Å; L108-Y127 WeakPolarHBondContact CB-OH 3.44Å; L108-Y127 HydrophobicContact CD2-CE2 4.35Å; L108-Y127 WeakPolarHBondContact CD2-OH 3.33Å; L108-Y127 WeakPolarHBondContact CG-OH 3.39Å; L108-Y127 PolarHBondContact O-OH 2.82Å; L108-L151 HydrophobicContact CD1-CD1 4.17Å; L108-L151 HydrophobicContact CD1-CG 4Å; L108-L151 HydrophobicContact CD2-CD1 4.02Å; L108-L151 HydrophobicContact CD2-CD2 4.3Å; L108-L151 HydrophobicContact CD2-CG 4.32Å; L108-L151 HydrophobicContact CG-CD1 3.82Å; L108-L151 HydrophobicContact CG-CG 4.18Å; L108-Y153 HydrophobicContact CD1-CD2 4.26Å; L108-Y153 HydrophobicContact CD1-CG 4.49Å |
| 109 | V | 91.9 | Very high | 88.2 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.7 | -173.4 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | G111 C113 N152 | V109-G111 WeakPolarHBondContact CG1-O 3.33Å; V109-G111 PolarHBondContact O-N 3.4Å; V109-C113 VanDerWaalsContact CG1-O 3.26Å; V109-C113 WeakPolarHBondContact CG1-O 3.43Å; V109-N152 PolarHBondContact N-O 3Å; V109-N152 PolarHBondContact O-N 3.03Å |
| 110 | L | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 97.9 | 174.6 | -175.5 | 61.7 | 0 | 0 | 0 | 109.1 | V90 N112 C113 Y127 V129 Y149 L151 | V90-L110 HydrophobicContact CB-CD2 4.29Å; V90-L110 HydrophobicContact CG2-CD2 3.89Å; L110-N112 PolarHBondContact O-N 2.9Å; L110-C113 PolarHBondContact N-O 2.83Å; L110-C113 PolarHBondContact O-N 3.3Å; L110-Y127 HydrophobicContact CB-CD1 3.47Å; L110-Y127 VanDerWaalsContact CB-CD1 3.47Å; L110-Y127 HydrophobicContact CB-CE1 3.87Å; L110-Y127 HydrophobicContact CB-CG 4.01Å; L110-Y127 HydrophobicContact CD2-CD1 4.33Å; L110-Y127 HydrophobicContact CD2-CG 4.12Å; L110-V129 HydrophobicContact CD2-CG1 4.1Å; L110-V129 HydrophobicContact CD2-CG2 3.65Å; L110-Y149 HydrophobicContact CD1-CG 4.41Å; L110-Y149 HydrophobicContact CG-CD1 4.41Å; L110-L151 HydrophobicContact CB-CD1 4.06Å; L110-L151 HydrophobicContact CD1-CB 3.92Å; L110-L151 HydrophobicContact CD1-CD1 4.12Å |
| 111 | G | 89.1 | Confident | 88.8 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | -98.6 | -170 | 0 | 0 | 0 | 0 | 0 | 111 | V109 C134 F150 | V109-G111 WeakPolarHBondContact CG1-O 3.33Å; V109-G111 PolarHBondContact O-N 3.4Å; G111-C134 CarbonylContact C-O 3.54Å; G111-C134 WeakPolarHBondContact CA-O 3.35Å; G111-F150 WeakPolarHBondContact CA-O 3.32Å; G111-F150 PolarHBondContact N-O 3.08Å |
| 112 | N | 88.9 | Confident | 88.9 | Confident | 137 Ų | 137 | 58.1 Ų | 58.1 | 73% | 0.733 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 7.3 | 177.7 | -65.2 | -24.1 | 0 | 0 | 0 | 113.9 | L110 C134 | L110-N112 PolarHBondContact O-N 2.9Å; N112-C134 PolarHBondContact N-O 2.86Å |
| 113 | C | 91.9 | Very high | 89.2 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -114.5 | 137 | -174.8 | -70.1 | 0 | 0 | 0 | 0 | 113.2 | V109 L110 V129 C134 | V109-C113 VanDerWaalsContact CG1-O 3.26Å; V109-C113 WeakPolarHBondContact CG1-O 3.43Å; L110-C113 PolarHBondContact N-O 2.83Å; L110-C113 PolarHBondContact O-N 3.3Å; C113-V129 HydrophobicContact CB-CG1 4.48Å; C113-C134 HydrophobicContact CB-CB 3.67Å; C113-C134 WeakPolarHBondContact CB-SG 3.4Å; C113-C134 WeakPolarHBondContact SG-CA 3.45Å; C113-C134 WeakPolarHBondContact SG-CB 3.42Å; C113-C134 CovalentContact SG-SG 2.03Å; C113-C134 PolarHBondContact SG-SG 3.2Å |
| 114 | P | 92.4 | Very high | 89.5 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | trans | -69.7 | 172.8 | 170.3 | 33.5 | -36.5 | 0 | 0 | 0 | 111.1 | Y127 | P114-Y127 WeakPolarHBondContact O-CD1 3.44Š| ||
| 115 | H | 92.8 | Very high | 89.8 | Confident | 51 Ų | 51 | 56.5 Ų | 56.5 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | trans | -61.6 | 147 | 170.6 | 56.8 | -105 | 0 | 0 | 0 | 110.9 | P105 E118 L125 I126 Y127 | P105-H115 PolarHBondContact O-CE1 2.86Å; P105-H115 PolarHBondContact O-ND1 3.35Å; H115-E118 IonicContact CE1-OE1 3.99Å; H115-E118 IonicContact NE2-OE1 3.06Å; H115-L125 HydrophobicContact CB-CB 4.35Å; H115-I126 CarbonylContact C-O 3.57Å; H115-I126 WeakPolarHBondContact CA-O 3.44Å; H115-I126 WeakPolarHBondContact CB-O 3.46Å; H115-Y127 VanDerWaalsContact CA-CD1 3.49Å; H115-Y127 VanDerWaalsContact CA-CE1 3.46Å; H115-Y127 HydrophobicContact CB-CD1 4.21Å; H115-Y127 HydrophobicContact CB-CE1 3.85Å; H115-Y127 HydrophobicContact CB-CE2 4.2Å; H115-Y127 VanDerWaalsContact N-CE1 3.26Å | ||
| 116 | T | 92.3 | Very high | 90.2 | Very high | 87 Ų | 87 | 57 Ų | 57 | 53% | 0.534 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -91.7 | -18.2 | 174.7 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | I126 E128 | T116-I126 PolarHBondContact N-O 3.02Å; T116-I126 PolarHBondContact OG1-O 2.96Å; T116-E128 PolarHBondContact OG1-N 2.79Å |
| 117 | G | 90.4 | Very high | 90.6 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 170.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I126 | G117-I126 PolarHBondContact N-O 3.27Å; G117-I126 PolarHBondContact O-N 2.93Å |
| 118 | E | 92.4 | Very high | 90.9 | Very high | 93 Ų | 93 | 56.7 Ų | 56.7 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.1 | 175.3 | -53.1 | -171.6 | 169.3 | 0 | 0 | 109.5 | M94 P105 H115 V124 L125 | M94-E118 HydrophobicContact CE-CB 4.34Å; P105-E118 WeakPolarHBondContact CB-OE1 3.42Å; P105-E118 WeakPolarHBondContact CG-OE1 3.26Å; H115-E118 IonicContact CE1-OE1 3.99Å; H115-E118 IonicContact NE2-OE1 3.06Å; E118-V124 WeakPolarHBondContact CA-O 3.43Å; E118-L125 HydrophobicContact CB-CD2 4.42Å; E118-L125 HydrophobicContact CG-CD2 3.76Å |
| 119 | D | 90.1 | Very high | 91.1 | Very high | 58 Ų | 58 | 57 Ų | 57 | 31% | 0.31 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.6 | 164.7 | -177.4 | -19.8 | 0 | 0 | 0 | 109.1 | V121 A122 Q123 V124 | D119-V121 VanDerWaalsContact C-N 3.29Å; D119-V121 PolarHBondContact O-N 2.88Å; D119-V121 WeakPolarHBondContact OD1-CA 3Å; D119-V121 WeakPolarHBondContact OD1-CB 3.44Å; D119-V121 PolarHBondContact OD1-N 3.07Å; D119-A122 HydrophobicContact CB-CB 4.2Å; D119-A122 PolarHBondContact OD1-N 2.72Å; D119-A122 WeakPolarHBondContact OD2-CB 3.32Å; D119-Q123 VanDerWaalsContact O-CA 3.23Å; D119-Q123 WeakPolarHBondContact O-CA 3.4Å; D119-Q123 PolarHBondContact O-N 2.74Å; D119-V124 HydrophobicContact CB-CG2 3.8Å; D119-V124 PolarHBondContact N-O 2.83Å; D119-V124 PolarHBondContact O-N 2.88Å |
| 120 | P | 84.8 | Confident | 91.1 | Very high | 103 Ų | 103 | 59.4 Ų | 59.4 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.2 | -179.6 | 32.2 | -36.1 | 0 | 0 | 0 | 113.9 | ||
| 121 | V | 86.6 | Confident | 91.2 | Very high | 136 Ų | 136 | 60 Ų | 60 | 82% | 0.824 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -46.1 | 177.4 | -175 | 0 | 0 | 0 | 0 | 110.3 | D119 | D119-V121 VanDerWaalsContact C-N 3.29Å; D119-V121 PolarHBondContact O-N 2.88Å; D119-V121 WeakPolarHBondContact OD1-CA 3Å; D119-V121 WeakPolarHBondContact OD1-CB 3.44Å; D119-V121 PolarHBondContact OD1-N 3.07Å |
| 122 | A | 83.6 | Confident | 91.3 | Very high | 57 Ų | 57 | 65.6 Ų | 65.6 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -13.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D119 V124 | D119-A122 HydrophobicContact CB-CB 4.2Å; D119-A122 PolarHBondContact OD1-N 2.72Å; D119-A122 WeakPolarHBondContact OD2-CB 3.32Å; A122-V124 HydrophobicContact CB-CG2 4.09Å |
| 123 | Q | 89.8 | Confident | 91.4 | Very high | 112 Ų | 112 | 64.1 Ų | 64.1 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 49.5 | -174.8 | -60.1 | -171 | -27.8 | 0 | 0 | 112.5 | M94 D119 | M94-Q123 HydrophobicContact CB-CB 4.44Å; M94-Q123 HydrophobicContact CG-CB 4.48Å; M94-Q123 WeakPolarHBondContact CG-O 3.49Å; M94-Q123 PolarHBondContact N-O 2.84Å; M94-Q123 HydrophobicContact SD-CB 4.01Å; D119-Q123 VanDerWaalsContact O-CA 3.23Å; D119-Q123 WeakPolarHBondContact O-CA 3.4Å; D119-Q123 PolarHBondContact O-N 2.74Å |
| 124 | V | 93.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 63.6 Ų | 63.6 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 148.5 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | A92 K93 E118 D119 A122 I126 | A92-V124 CarbonylContact O-C 3.52Å; A92-V124 WeakPolarHBondContact O-CA 3.26Å; K93-V124 HydrophobicContact CG-CG1 3.83Å; E118-V124 WeakPolarHBondContact CA-O 3.43Å; D119-V124 HydrophobicContact CB-CG2 3.8Å; D119-V124 PolarHBondContact N-O 2.83Å; D119-V124 PolarHBondContact O-N 2.88Å; A122-V124 HydrophobicContact CB-CG2 4.09Å; V124-I126 HydrophobicContact CG2-CG1 4.35Å |
| 125 | L | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129 | 168.9 | -55.9 | 176.9 | 0 | 0 | 0 | 107.9 | E91 A92 M94 P105 L108 H115 E118 Y127 | E91-L125 WeakPolarHBondContact CA-O 3.27Å; A92-L125 PolarHBondContact N-O 3.24Å; A92-L125 PolarHBondContact O-N 2.86Å; M94-L125 HydrophobicContact CE-CD2 3.68Å; M94-L125 HydrophobicContact CE-CG 4.48Å; M94-L125 HydrophobicContact CG-CD2 4.36Å; M94-L125 HydrophobicContact CG-CG 4.25Å; P105-L125 HydrophobicContact CB-CD1 4.25Å; P105-L125 HydrophobicContact CB-CD2 3.73Å; P105-L125 HydrophobicContact CG-CD2 3.98Å; L108-L125 HydrophobicContact CB-CD1 4.31Å; L108-L125 HydrophobicContact CD2-CD1 3.99Å; H115-L125 HydrophobicContact CB-CB 4.35Å; E118-L125 HydrophobicContact CB-CD2 4.42Å; E118-L125 HydrophobicContact CG-CD2 3.76Å; L125-Y127 HydrophobicContact CB-CE2 3.93Å |
| 126 | I | 94.2 | Very high | 91.1 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.6 | -175.1 | -56.5 | 172.7 | 0 | 0 | 0 | 108.6 | V90 H115 T116 G117 V124 | V90-I126 WeakPolarHBondContact O-CA 3.31Å; H115-I126 CarbonylContact C-O 3.57Å; H115-I126 WeakPolarHBondContact CA-O 3.44Å; H115-I126 WeakPolarHBondContact CB-O 3.46Å; T116-I126 PolarHBondContact N-O 3.02Å; T116-I126 PolarHBondContact OG1-O 2.96Å; G117-I126 PolarHBondContact N-O 3.27Å; G117-I126 PolarHBondContact O-N 2.93Å; V124-I126 HydrophobicContact CG2-CG1 4.35Å |
| 127 | Y | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 108.6 | 174.7 | -54.8 | -107.1 | 0 | 0 | 0 | 108.9 | H89 V90 A92 L108 L110 P114 H115 L125 L151 | H89-Y127 WeakPolarHBondContact CA-O 3.36Å; V90-Y127 PolarHBondContact N-O 2.86Å; V90-Y127 PolarHBondContact O-N 3.31Å; A92-Y127 HydrophobicContact CB-CE2 4.41Å; L108-Y127 WeakPolarHBondContact CB-OH 3.44Å; L108-Y127 HydrophobicContact CD2-CE2 4.35Å; L108-Y127 WeakPolarHBondContact CD2-OH 3.33Å; L108-Y127 WeakPolarHBondContact CG-OH 3.39Å; L108-Y127 PolarHBondContact O-OH 2.82Å; L110-Y127 HydrophobicContact CB-CD1 3.47Å; L110-Y127 VanDerWaalsContact CB-CD1 3.47Å; L110-Y127 HydrophobicContact CB-CE1 3.87Å; L110-Y127 HydrophobicContact CB-CG 4.01Å; L110-Y127 HydrophobicContact CD2-CD1 4.33Å; L110-Y127 HydrophobicContact CD2-CG 4.12Å; P114-Y127 WeakPolarHBondContact O-CD1 3.44Å; H115-Y127 VanDerWaalsContact CA-CD1 3.49Å; H115-Y127 VanDerWaalsContact CA-CE1 3.46Å; H115-Y127 HydrophobicContact CB-CD1 4.21Å; H115-Y127 HydrophobicContact CB-CE1 3.85Å; H115-Y127 HydrophobicContact CB-CE2 4.2Å; H115-Y127 VanDerWaalsContact N-CE1 3.26Å; L125-Y127 HydrophobicContact CB-CE2 3.93Å; Y127-L151 HydrophobicContact CE1-CD1 4.41Å; Y127-L151 HydrophobicContact CE2-CD1 4.03Å |
| 128 | E | 94.1 | Very high | 91.2 | Very high | 97 Ų | 97 | 64.2 Ų | 64.2 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 111.7 | 167.6 | -70.5 | -167.4 | 131.4 | 0 | 0 | 109.5 | R84 V87 H89 T116 | R84-E128 IonicContact CZ-OE1 3.69Å; R84-E128 IonicContact NH1-OE1 3.73Å; R84-E128 PolarHBondContact NH1-OE1 3.13Å; V87-E128 HydrophobicContact CG1-CB 4.22Å; H89-E128 HydrophobicContact CB-CG 4.46Å; H89-E128 IonicContact ND1-OE1 3.24Å; T116-E128 PolarHBondContact OG1-N 2.79Å |
| 129 | V | 93.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.055 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.3 | -174.7 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | V87 A88 L110 C113 C134 Y149 | V87-V129 CarbonylContact C-O 3.5Å; V87-V129 WeakPolarHBondContact CA-O 3.42Å; A88-V129 HydrophobicContact CB-CG2 4.2Å; A88-V129 PolarHBondContact N-O 2.78Å; A88-V129 PolarHBondContact O-N 2.8Å; L110-V129 HydrophobicContact CD2-CG1 4.1Å; L110-V129 HydrophobicContact CD2-CG2 3.65Å; C113-V129 HydrophobicContact CB-CG1 4.48Å; V129-C134 HydrophobicContact CB-CB 4.5Å; V129-C134 HydrophobicContact CG1-CB 4.35Å; V129-C134 WeakPolarHBondContact CG1-SG 2.99Å; V129-Y149 HydrophobicContact CG2-CD1 4.47Å; V129-Y149 HydrophobicContact CG2-CE1 3.7Å |
| 130 | E | 93.6 | Very high | 91.3 | Very high | 94 Ų | 94 | 66.5 Ų | 66.5 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 148.8 | 174.8 | -69.7 | 165.6 | -135.9 | 0 | 0 | 111.9 | A86 H132 K133 Y149 | A86-E130 WeakPolarHBondContact O-CA 3.49Å; E130-H132 PolarHBondContact O-N 2.96Å; E130-K133 HydrophobicContact CB-CB 4.2Å; E130-K133 HydrophobicContact CB-CD 4.02Å; E130-K133 HydrophobicContact CB-CG 4.07Å; E130-K133 HydrophobicContact CG-CD 4.32Å; E130-K133 PolarHBondContact O-N 3.27Å; E130-K133 IonicContact OE1-NZ 2.88Å; E130-K133 PolarHBondContact OE1-NZ 2.78Å; E130-K133 WeakPolarHBondContact OE2-CD 2.98Å; E130-K133 WeakPolarHBondContact OE2-CE 3.36Å; E130-K133 IonicContact OE2-NZ 3.79Å; E130-K133 PolarHBondContact OE2-NZ 2.66Å; E130-Y149 PolarHBondContact O-OH 2.8Å |
| 131 | L | 92.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 64.6 Ų | 64.6 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.5 | -173.7 | -67 | 175.3 | 0 | 0 | 0 | 115.3 | A86 A88 S136 Y147 Y149 Y177 | A86-L131 PolarHBondContact O-N 2.03Å; A86-L131 VanDerWaalsContact O-N 3.08Å; A88-L131 HydrophobicContact CB-CD2 4.24Å; L131-S136 VanDerWaalsContact O-CB 3.23Å; L131-S136 WeakPolarHBondContact O-CB 3.37Å; L131-S136 PolarHBondContact O-OG 2.88Å; L131-Y147 HydrophobicContact CB-CD1 4.02Å; L131-Y147 HydrophobicContact CB-CD2 4.35Å; L131-Y147 HydrophobicContact CB-CE1 3.95Å; L131-Y147 HydrophobicContact CB-CE2 4.28Å; L131-Y147 HydrophobicContact CB-CG 4.21Å; L131-Y147 HydrophobicContact CD1-CD2 4.33Å; L131-Y147 HydrophobicContact CD1-CE2 4.11Å; L131-Y147 HydrophobicContact CD2-CD2 4.27Å; L131-Y147 HydrophobicContact CD2-CG 4.28Å; L131-Y147 WeakPolarHBondContact O-CD1 3.47Å; L131-Y147 WeakPolarHBondContact O-CE1 3.18Å; L131-Y149 VanDerWaalsContact CA-OH 3.26Å; L131-Y149 WeakPolarHBondContact CA-OH 3.23Å; L131-Y177 HydrophobicContact CD1-CD2 4.38Å; L131-Y177 HydrophobicContact CD1-CE1 4.43Å; L131-Y177 HydrophobicContact CD1-CE2 3.6Å; L131-Y177 HydrophobicContact CD2-CE2 3.82Å; L131-Y177 WeakPolarHBondContact CD2-OH 3.45Å; L131-Y177 HydrophobicContact CG-CE2 4.38Å |
| 132 | H | 91.2 | Very high | 91.6 | Very high | 133 Ų | 133 | 64.3 Ų | 64.3 | 62% | 0.616 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 8 | 178.9 | -59.1 | -76.3 | 0 | 0 | 0 | 114.3 | E130 S136 Y147 | E130-H132 PolarHBondContact O-N 2.96Å; H132-S136 VanDerWaalsContact CA-OG 3.32Å; H132-S136 WeakPolarHBondContact CA-OG 3.26Å; H132-S136 PolarHBondContact O-OG 2.74Å; H132-Y147 AromaticContact CE1-CE1 3.58Å; H132-Y147 AromaticContact CE1-CZ 3.82Å; H132-Y147 PolarHBondContact CE1-OH 2.82Å; H132-Y147 AromaticContact ND1-CE1 3.71Å; H132-Y147 PolarHBondContact NE2-OH 2.93Å |
| 133 | K | 91.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 66.6 Ų | 66.6 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -109.3 | 178.2 | -174.6 | -73 | -172.3 | 178.6 | 159.2 | 0 | 112.5 | E130 G135 S136 | E130-K133 HydrophobicContact CB-CB 4.2Å; E130-K133 HydrophobicContact CB-CD 4.02Å; E130-K133 HydrophobicContact CB-CG 4.07Å; E130-K133 HydrophobicContact CG-CD 4.32Å; E130-K133 PolarHBondContact O-N 3.27Å; E130-K133 IonicContact OE1-NZ 2.88Å; E130-K133 PolarHBondContact OE1-NZ 2.78Å; E130-K133 WeakPolarHBondContact OE2-CD 2.98Å; E130-K133 WeakPolarHBondContact OE2-CE 3.36Å; E130-K133 IonicContact OE2-NZ 3.79Å; E130-K133 PolarHBondContact OE2-NZ 2.66Å; K133-G135 PolarHBondContact O-N 2.92Å; K133-S136 PolarHBondContact N-OG 3.22Å; K133-S136 WeakPolarHBondContact O-CB 3.35Å; K133-S136 PolarHBondContact O-N 3.33Å; K133-S136 VanDerWaalsContact O-N 3.09Å; K133-S136 PolarHBondContact O-OG 3Å |
| 134 | C | 90.9 | Very high | 91.9 | Very high | 20 Ų | 20 | 62 Ų | 62 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 12.2 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 116.5 | G111 N112 C113 V129 | G111-C134 CarbonylContact C-O 3.54Å; G111-C134 WeakPolarHBondContact CA-O 3.35Å; N112-C134 PolarHBondContact N-O 2.86Å; C113-C134 HydrophobicContact CB-CB 3.67Å; C113-C134 WeakPolarHBondContact CB-SG 3.4Å; C113-C134 WeakPolarHBondContact SG-CA 3.45Å; C113-C134 WeakPolarHBondContact SG-CB 3.42Å; C113-C134 CovalentContact SG-SG 2.03Å; C113-C134 PolarHBondContact SG-SG 3.2Å; V129-C134 HydrophobicContact CB-CB 4.5Å; V129-C134 HydrophobicContact CG1-CB 4.35Å; V129-C134 WeakPolarHBondContact CG1-SG 2.99Å |
| 135 | G | 88.1 | Confident | 91.9 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 14.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | K133 | K133-G135 PolarHBondContact O-N 2.92Š|
| 136 | S | 91.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | trans | -46.2 | 134 | 169.1 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | L131 H132 K133 | L131-S136 VanDerWaalsContact O-CB 3.23Å; L131-S136 WeakPolarHBondContact O-CB 3.37Å; L131-S136 PolarHBondContact O-OG 2.88Å; H132-S136 VanDerWaalsContact CA-OG 3.32Å; H132-S136 WeakPolarHBondContact CA-OG 3.26Å; H132-S136 PolarHBondContact O-OG 2.74Å; K133-S136 PolarHBondContact N-OG 3.22Å; K133-S136 WeakPolarHBondContact O-CB 3.35Å; K133-S136 PolarHBondContact O-N 3.33Å; K133-S136 VanDerWaalsContact O-N 3.09Å; K133-S136 PolarHBondContact O-OG 3Å | ||
| 137 | Q | 92.9 | Very high | 91.9 | Very high | 115 Ų | 115 | 63.3 Ų | 63.3 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.1 | 168 | -61.5 | -173.4 | 19.4 | 0 | 0 | 109.7 | Y147 T148 | Q137-Y147 WeakPolarHBondContact O-CA 3Å; Q137-T148 PolarHBondContact N-O 3.01Å; Q137-T148 PolarHBondContact O-N 3.37Å |
| 138 | L | 92.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 64 Ų | 64 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 115.3 | 175.5 | 171.1 | 55.5 | 0 | 0 | 0 | 110.2 | L145 V146 Y147 | L138-L145 HydrophobicContact CD1-CB 3.97Å; L138-L145 HydrophobicContact CD1-CD2 4.41Å; L138-V146 WeakPolarHBondContact CA-O 3.42Å; L138-Y147 HydrophobicContact CB-CD1 4.09Å; L138-Y147 HydrophobicContact CB-CE1 3.92Å; L138-Y147 HydrophobicContact CD1-CD1 4.11Å; L138-Y147 HydrophobicContact CD1-CD2 4.35Å; L138-Y147 HydrophobicContact CD1-CE1 3.77Å; L138-Y147 HydrophobicContact CD1-CE2 4.04Å; L138-Y147 HydrophobicContact CD1-CG 4.4Å; L138-Y147 HydrophobicContact CD2-CE1 3.94Å; L138-Y147 HydrophobicContact CG-CE1 4.08Å |
| 139 | T | 92.9 | Very high | 91.7 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 46% | 0.46 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130 | 168.1 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | V146 | T139-V146 PolarHBondContact N-O 2.84Å; T139-V146 PolarHBondContact O-N 2.96Å |
| 140 | M | 91.8 | Very high | 91.6 | Very high | 124 Ų | 124 | 62.3 Ų | 62.3 | 61% | 0.611 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.3 | -179.8 | -179.6 | 175.3 | -179.5 | 0 | 0 | 109.6 | L145 | M140-L145 HydrophobicContact CB-CD2 4.2Å; M140-L145 HydrophobicContact CG-CD2 3.86Å |
| 141 | T | 90.8 | Very high | 91.4 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | trans | -101.9 | 176.9 | 172.8 | 72.2 | 0 | 0 | 0 | 0 | 110.1 | D143 A144 R179 | T141-D143 VanDerWaalsContact C-N 3.26Å; T141-D143 PolarHBondContact O-N 2.87Å; T141-A144 PolarHBondContact N-O 3.12Å; T141-A144 PolarHBondContact OG1-N 2.84Å; T141-A144 PolarHBondContact OG1-O 3.3Å; T141-R179 WeakPolarHBondContact O-CD 3.43Å; T141-R179 PolarHBondContact O-NH1 3.41Å | ||
| 142 | D | 86.8 | Confident | 91.2 | Very high | 131 Ų | 131 | 59.3 Ų | 59.3 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -62.6 | -32.4 | 179.6 | -72.9 | -50.4 | 0 | 0 | 0 | 113.7 | R179 | D142-R179 PolarHBondContact O-NH1 2.77Š|
| 143 | D | 88 | Confident | 91 | Very high | 104 Ų | 104 | 53.6 Ų | 53.6 | 56% | 0.556 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -114 | -16.5 | -176 | -69.5 | -47.4 | 0 | 0 | 0 | 114.6 | T141 P178 R179 K180 | T141-D143 VanDerWaalsContact C-N 3.26Å; T141-D143 PolarHBondContact O-N 2.87Å; D143-P178 CarbonylContact O-C 3.54Å; D143-P178 WeakPolarHBondContact O-CA 3.22Å; D143-R179 PolarHBondContact O-N 3.36Å; D143-K180 IonicContact OD1-NZ 2.66Å; D143-K180 PolarHBondContact OD1-NZ 2.8Å |
| 144 | A | 91.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 156.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | T141 V146 Y177 | T141-A144 PolarHBondContact N-O 3.12Å; T141-A144 PolarHBondContact OG1-N 2.84Å; T141-A144 PolarHBondContact OG1-O 3.3Å; A144-V146 HydrophobicContact CB-CG2 4.38Å; A144-Y177 CarbonylContact C-O 3.54Å; A144-Y177 WeakPolarHBondContact CA-O 3.5Å |
| 145 | L | 92.5 | Very high | 90.3 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.4 | 160.9 | -59.1 | -177.7 | 0 | 0 | 0 | 107.3 | L138 M140 Y147 Y177 R179 | L138-L145 HydrophobicContact CD1-CB 3.97Å; L138-L145 HydrophobicContact CD1-CD2 4.41Å; M140-L145 HydrophobicContact CB-CD2 4.2Å; M140-L145 HydrophobicContact CG-CD2 3.86Å; L145-Y147 HydrophobicContact CB-CE2 4.17Å; L145-Y177 PolarHBondContact N-O 3.25Å; L145-Y177 PolarHBondContact O-N 3.48Å; L145-R179 HydrophobicContact CD2-CG 3.94Å; L145-R179 HydrophobicContact CG-CG 3.89Å |
| 146 | V | 94.4 | Very high | 89.6 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118.3 | -178.3 | -176.4 | 0 | 0 | 0 | 0 | 109 | L138 T139 A144 E174 C175 H176 | L138-V146 WeakPolarHBondContact CA-O 3.42Å; T139-V146 PolarHBondContact N-O 2.84Å; T139-V146 PolarHBondContact O-N 2.96Å; A144-V146 HydrophobicContact CB-CG2 4.38Å; V146-E174 HydrophobicContact CG1-CB 4.38Å; V146-C175 WeakPolarHBondContact CA-O 3.48Å; V146-H176 WeakPolarHBondContact CG1-NE2 3.36Å |
| 147 | Y | 94.5 | Very high | 88.6 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 112 | 174.7 | -67 | -86.9 | 0 | 0 | 0 | 109.5 | L131 H132 Q137 L138 L145 E174 C175 Y177 | L131-Y147 HydrophobicContact CB-CD1 4.02Å; L131-Y147 HydrophobicContact CB-CD2 4.35Å; L131-Y147 HydrophobicContact CB-CE1 3.95Å; L131-Y147 HydrophobicContact CB-CE2 4.28Å; L131-Y147 HydrophobicContact CB-CG 4.21Å; L131-Y147 HydrophobicContact CD1-CD2 4.33Å; L131-Y147 HydrophobicContact CD1-CE2 4.11Å; L131-Y147 HydrophobicContact CD2-CD2 4.27Å; L131-Y147 HydrophobicContact CD2-CG 4.28Å; L131-Y147 WeakPolarHBondContact O-CD1 3.47Å; L131-Y147 WeakPolarHBondContact O-CE1 3.18Å; H132-Y147 AromaticContact CE1-CE1 3.58Å; H132-Y147 AromaticContact CE1-CZ 3.82Å; H132-Y147 PolarHBondContact CE1-OH 2.82Å; H132-Y147 AromaticContact ND1-CE1 3.71Å; H132-Y147 PolarHBondContact NE2-OH 2.93Å; Q137-Y147 WeakPolarHBondContact O-CA 3Å; L138-Y147 HydrophobicContact CB-CD1 4.09Å; L138-Y147 HydrophobicContact CB-CE1 3.92Å; L138-Y147 HydrophobicContact CD1-CD1 4.11Å; L138-Y147 HydrophobicContact CD1-CD2 4.35Å; L138-Y147 HydrophobicContact CD1-CE1 3.77Å; L138-Y147 HydrophobicContact CD1-CE2 4.04Å; L138-Y147 HydrophobicContact CD1-CG 4.4Å; L138-Y147 HydrophobicContact CD2-CE1 3.94Å; L138-Y147 HydrophobicContact CG-CE1 4.08Å; L145-Y147 HydrophobicContact CB-CE2 4.17Å; Y147-E174 WeakPolarHBondContact O-CA 3.39Å; Y147-C175 PolarHBondContact N-O 2.83Å; Y147-C175 PolarHBondContact O-N 2.84Å; Y147-Y177 AromaticContact CD2-CD2 3.64Å; Y147-Y177 HydrophobicContact CD2-CD2 3.64Å; Y147-Y177 AromaticContact CD2-CE2 3.65Å; Y147-Y177 HydrophobicContact CD2-CE2 3.65Å; Y147-Y177 AromaticContact CE2-CD2 3.8Å; Y147-Y177 HydrophobicContact CE2-CD2 3.8Å; Y147-Y177 HydrophobicContact CE2-CE2 4.07Å |
| 148 | T | 92.6 | Very high | 87.1 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.1 | -178 | -53.4 | 0 | 0 | 0 | 0 | 110.6 | Q137 F150 I172 V173 E174 | Q137-T148 PolarHBondContact N-O 3.01Å; Q137-T148 PolarHBondContact O-N 3.37Å; T148-F150 HydrophobicContact CG2-CE2 4.5Å; T148-F150 HydrophobicContact CG2-CZ 4.3Å; T148-I172 HydrophobicContact CG2-CG2 3.6Å; T148-V173 CarbonylContact C-O 3.57Å; T148-V173 WeakPolarHBondContact CA-O 3.49Å; T148-E174 HydrophobicContact CG2-CG 4.09Å; T148-E174 PolarHBondContact OG1-OE1 2.87Å |
| 149 | Y | 92.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 159.5 | 174.2 | -59 | -100.3 | 0 | 0 | 0 | 110.6 | A88 L110 V129 E130 L131 V173 | A88-Y149 HydrophobicContact CB-CE2 3.91Å; L110-Y149 HydrophobicContact CD1-CG 4.41Å; L110-Y149 HydrophobicContact CG-CD1 4.41Å; V129-Y149 HydrophobicContact CG2-CD1 4.47Å; V129-Y149 HydrophobicContact CG2-CE1 3.7Å; E130-Y149 PolarHBondContact O-OH 2.8Å; L131-Y149 VanDerWaalsContact CA-OH 3.26Å; L131-Y149 WeakPolarHBondContact CA-OH 3.23Å; Y149-V173 HydrophobicContact CD2-CG1 4.31Å; Y149-V173 PolarHBondContact N-O 2.96Å; Y149-V173 PolarHBondContact O-N 2.79Å |
| 150 | F | 90.1 | Very high | 84.2 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 105.3 | 174 | -61.2 | -82.7 | 0 | 0 | 0 | 109.5 | G111 T148 N152 I172 | G111-F150 WeakPolarHBondContact CA-O 3.32Å; G111-F150 PolarHBondContact N-O 3.08Å; T148-F150 HydrophobicContact CG2-CE2 4.5Å; T148-F150 HydrophobicContact CG2-CZ 4.3Å; F150-N152 PolarHBondContact O-N 3.17Å; F150-N152 PolarHBondContact O-ND2 3.25Å; F150-I172 HydrophobicContact CD1-CG1 4.13Å; F150-I172 HydrophobicContact CE1-CD1 4.24Å; F150-I172 HydrophobicContact CE1-CG1 3.95Å |
| 151 | L | 89.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 103.9 | 171.9 | 179.7 | 69.5 | 0 | 0 | 0 | 107.8 | V79 A92 L108 L110 Y127 V171 | V79-L151 HydrophobicContact CG1-CD2 3.99Å; V79-L151 HydrophobicContact CG2-CD2 3.85Å; A92-L151 HydrophobicContact CB-CD2 3.94Å; L108-L151 HydrophobicContact CD1-CD1 4.17Å; L108-L151 HydrophobicContact CD1-CG 4Å; L108-L151 HydrophobicContact CD2-CD1 4.02Å; L108-L151 HydrophobicContact CD2-CD2 4.3Å; L108-L151 HydrophobicContact CD2-CG 4.32Å; L108-L151 HydrophobicContact CG-CD1 3.82Å; L108-L151 HydrophobicContact CG-CG 4.18Å; L110-L151 HydrophobicContact CB-CD1 4.06Å; L110-L151 HydrophobicContact CD1-CB 3.92Å; L110-L151 HydrophobicContact CD1-CD1 4.12Å; Y127-L151 HydrophobicContact CE1-CD1 4.41Å; Y127-L151 HydrophobicContact CE2-CD1 4.03Å; L151-V171 HydrophobicContact CB-CB 4.23Å; L151-V171 PolarHBondContact N-O 3.23Å; L151-V171 PolarHBondContact O-N 3.01Å |
| 152 | N | 88.9 | Confident | 81.2 | Confident | 43 Ų | 43 | 59.7 Ų | 59.7 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.5 | -169.3 | -68.4 | -49.3 | 0 | 0 | 0 | 110.7 | V109 F150 | V109-N152 PolarHBondContact N-O 3Å; V109-N152 PolarHBondContact O-N 3.03Å; F150-N152 PolarHBondContact O-N 3.17Å; F150-N152 PolarHBondContact O-ND2 3.25Å |
| 153 | Y | 87.1 | Confident | 79.7 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 113.5 | 168.5 | 178.6 | -112.8 | 0 | 0 | 0 | 111 | L96 F97 I103 D107 L108 P155 Q168 A169 | L96-Y153 HydrophobicContact CD2-CD2 4.42Å; L96-Y153 HydrophobicContact CD2-CG 4.19Å; F97-Y153 AromaticContact CE2-CD1 3.82Å; F97-Y153 HydrophobicContact CE2-CD1 3.82Å; F97-Y153 AromaticContact CE2-CE1 3.66Å; F97-Y153 HydrophobicContact CE2-CE1 3.66Å; F97-Y153 HydrophobicContact CE2-CG 4.46Å; F97-Y153 AromaticContact CZ-CD1 3.57Å; F97-Y153 HydrophobicContact CZ-CD1 3.57Å; F97-Y153 AromaticContact CZ-CE1 3.82Å; F97-Y153 HydrophobicContact CZ-CE1 3.82Å; F97-Y153 HydrophobicContact CZ-CG 4.31Å; I103-Y153 HydrophobicContact CB-CE2 3.76Å; I103-Y153 HydrophobicContact CD1-CD2 4Å; I103-Y153 HydrophobicContact CD1-CE2 4.09Å; I103-Y153 HydrophobicContact CG1-CE2 4.46Å; I103-Y153 HydrophobicContact CG2-CD2 4.39Å; I103-Y153 HydrophobicContact CG2-CE2 3.71Å; D107-Y153 HydrophobicContact CB-CD2 4.1Å; D107-Y153 HydrophobicContact CB-CE2 3.62Å; D107-Y153 CarbonylContact O-C 3.54Å; D107-Y153 WeakPolarHBondContact O-CA 3.4Å; D107-Y153 WeakPolarHBondContact O-CD2 3.36Å; L108-Y153 HydrophobicContact CD1-CD2 4.26Å; L108-Y153 HydrophobicContact CD1-CG 4.49Å; Y153-P155 HydrophobicContact CE1-CB 3.97Å; Y153-P155 HydrophobicContact CE1-CG 4.07Å; Y153-Q168 WeakPolarHBondContact O-CA 3.02Å; Y153-Q168 WeakPolarHBondContact O-CG 3.44Å; Y153-A169 PolarHBondContact N-O 3.17Å; Y153-A169 PolarHBondContact O-N 3.44Å |
| 154 | S | 85.3 | Confident | 78.5 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | trans | -120.1 | 96 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 110.3 | D107 S156 | D107-S154 WeakPolarHBondContact CB-O 3.44Å; D107-S154 PolarHBondContact O-N 3.47Å; S154-S156 PolarHBondContact O-N 3.34Å | ||
| 155 | P | 81.9 | Confident | 77.3 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -64 | 132.2 | -175.1 | 23.7 | -33.1 | 0 | 0 | 0 | 112.5 | D107 Y153 V164 T166 | D107-P155 WeakPolarHBondContact OD2-CA 3.08Å; Y153-P155 HydrophobicContact CE1-CB 3.97Å; Y153-P155 HydrophobicContact CE1-CG 4.07Å; P155-V164 HydrophobicContact CB-CG1 4.46Å; P155-V164 HydrophobicContact CG-CG1 3.74Å; P155-T166 WeakPolarHBondContact CB-OG1 3.42Å |
| 156 | S | 74.7 | Confident | 76.1 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 151.3 | 175.6 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | N104 D107 S154 L158 | N104-S156 PolarHBondContact ND2-OG 2.04Å; D107-S156 VanDerWaalsContact CG-N 3.33Å; D107-S156 VanDerWaalsContact CG-OG 3.31Å; D107-S156 VanDerWaalsContact OD1-CB 3.27Å; D107-S156 WeakPolarHBondContact OD1-CB 3.41Å; D107-S156 PolarHBondContact OD1-N 3.09Å; D107-S156 PolarHBondContact OD1-OG 2.95Å; D107-S156 PolarHBondContact OD2-N 2.96Å; D107-S156 PolarHBondContact OD2-OG 2.88Å; D107-S156 VanDerWaalsContact OD2-OG 3.14Å; S154-S156 PolarHBondContact O-N 3.34Å; S156-L158 PolarHBondContact O-N 2.87Å |
| 157 | N | 69.5 | Low | 74.8 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 52% | 0.524 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 131.4 | 179.7 | -77.5 | -44.3 | 0 | 0 | 0 | 110.9 | G159 | N157-G159 PolarHBondContact O-N 2.86Š|
| 158 | L | 61.1 | Low | 73.7 | Confident | 121 Ų | 121 | 73 Ų | 73 | 63% | 0.634 | 41% | 0.409 | S | S | * | . | trans | -73.6 | 72.7 | 175.3 | -67.3 | 174.1 | 0 | 0 | 0 | 111.3 | S156 I160 | S156-L158 PolarHBondContact O-N 2.87Å; L158-I160 PolarHBondContact O-N 3.46Å | ||
| 159 | G | 68.1 | Low | 72.5 | Confident | 67 Ų | 67 | 73 Ų | 73 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | -114.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N157 T161 | N157-G159 PolarHBondContact O-N 2.86Å; G159-T161 VanDerWaalsContact C-N 3.31Å; G159-T161 PolarHBondContact O-N 3.16Å |
| 160 | I | 56.7 | Low | 71.8 | Confident | 178 Ų | 178 | 76.9 Ų | 76.9 | 91% | 0.913 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.2 | -164.4 | -59.1 | 167.7 | 0 | 0 | 0 | 112.6 | L158 | L158-I160 PolarHBondContact O-N 3.46Š|
| 161 | T | 59.1 | Low | 71.6 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 36% | 0.362 | 43% | 0.429 | S | S | . | . | trans | -109.7 | 131.6 | -178.2 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | G159 I163 | G159-T161 VanDerWaalsContact C-N 3.31Å; G159-T161 PolarHBondContact O-N 3.16Å; T161-I163 HydrophobicContact CG2-CD1 4.32Å; T161-I163 PolarHBondContact O-N 2.65Å | ||
| 162 | P | 60.4 | Low | 71.5 | Confident | 116 Ų | 116 | 79.9 Ų | 79.9 | 75% | 0.753 | 46% | 0.455 | S | S | * | . | trans | -78.1 | 40.4 | 174.8 | 35.8 | -37.7 | 0 | 0 | 0 | 112.1 | ||||
| 163 | I | 56.6 | Low | 71.6 | Confident | 82 Ų | 82 | 78 Ų | 78 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | trans | -105.5 | 89.3 | -173.1 | -57.8 | 172.2 | 0 | 0 | 0 | 108.9 | T161 R165 | T161-I163 HydrophobicContact CG2-CD1 4.32Å; T161-I163 PolarHBondContact O-N 2.65Å; I163-R165 HydrophobicContact CG2-CG 4.14Å | ||
| 164 | V | 62.5 | Low | 71.8 | Confident | 78 Ų | 78 | 81.6 Ų | 81.6 | 47% | 0.473 | 46% | 0.462 | S | S | . | . | trans | -73.5 | 130.3 | 167.4 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | P155 T166 | P155-V164 HydrophobicContact CB-CG1 4.46Å; P155-V164 HydrophobicContact CG-CG1 3.74Å; V164-T166 WeakPolarHBondContact CG1-O 3.33Å | ||
| 165 | R | 65.6 | Low | 72.2 | Confident | 175 Ų | 175 | 78.9 Ų | 78.9 | 66% | 0.66 | 44% | 0.443 | S | S | * | . | trans | -111.3 | -6.9 | -177.4 | -69.2 | -175.2 | 175.7 | 79.4 | -4.5 | 114.5 | I163 | I163-R165 HydrophobicContact CG2-CG 4.14Š| ||
| 166 | T | 66.5 | Low | 72.7 | Confident | 50 Ų | 50 | 82.9 Ų | 82.9 | 31% | 0.307 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -125.9 | 142.9 | -178.8 | 40.1 | 0 | 0 | 0 | 0 | 109.8 | P155 V164 | P155-T166 WeakPolarHBondContact CB-OG1 3.42Å; V164-T166 WeakPolarHBondContact CG1-O 3.33Å |
| 167 | T | 67.9 | Low | 73.5 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | trans | -78.5 | 142.7 | 177.4 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | A169 | T167-A169 PolarHBondContact O-N 2.81Š| ||
| 168 | Q | 71.3 | Confident | 74.5 | Confident | 133 Ų | 133 | 80.7 Ų | 80.7 | 62% | 0.621 | 44% | 0.444 | S | S | * | . | trans | -58.5 | 128.8 | 167.2 | 174.6 | 168.1 | 22.8 | 0 | 0 | 109.6 | Y153 | Y153-Q168 WeakPolarHBondContact O-CA 3.02Å; Y153-Q168 WeakPolarHBondContact O-CG 3.44Å | ||
| 169 | A | 67.7 | Low | 75.8 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 12% | 0.124 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 112.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110 | V74 F97 Y153 T167 | V74-A169 HydrophobicContact CG2-CB 4.01Å; F97-A169 HydrophobicContact CE1-CB 4.2Å; F97-A169 HydrophobicContact CZ-CB 4.34Å; Y153-A169 PolarHBondContact N-O 3.17Å; Y153-A169 PolarHBondContact O-N 3.44Å; T167-A169 PolarHBondContact O-N 2.81Å |
| 170 | P | 76.9 | Confident | 76.4 | Confident | 82 Ų | 82 | 83.5 Ų | 83.5 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.8 | 167.5 | 32.4 | -29.5 | 0 | 0 | 0 | 109.8 | ||
| 171 | V | 85.9 | Confident | 77.1 | Confident | 27 Ų | 27 | 81.8 Ų | 81.8 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.4 | 169.2 | -177 | 0 | 0 | 0 | 0 | 108.3 | V74 V79 L151 | V74-V171 HydrophobicContact CB-CG2 3.84Å; V74-V171 HydrophobicContact CG1-CG2 3.71Å; V74-V171 HydrophobicContact CG2-CG2 3.93Å; V79-V171 HydrophobicContact CG2-CG1 4.34Å; L151-V171 HydrophobicContact CB-CB 4.23Å; L151-V171 PolarHBondContact N-O 3.23Å; L151-V171 PolarHBondContact O-N 3.01Å |
| 172 | I | 88.4 | Confident | 77.8 | Confident | 106 Ų | 106 | 86.9 Ų | 86.9 | 54% | 0.544 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.9 | 177.1 | -51.1 | -178 | 0 | 0 | 0 | 108.5 | T148 F150 E174 | T148-I172 HydrophobicContact CG2-CG2 3.6Å; F150-I172 HydrophobicContact CD1-CG1 4.13Å; F150-I172 HydrophobicContact CE1-CD1 4.24Å; F150-I172 HydrophobicContact CE1-CG1 3.95Å; I172-E174 HydrophobicContact CG2-CG 4.09Å |
| 173 | V | 89.8 | Confident | 78.2 | Confident | 4 Ų | 4 | 87.3 Ų | 87.3 | 2% | 0.024 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.7 | 177.4 | 163 | 0 | 0 | 0 | 0 | 108 | V79 V81 V90 T148 Y149 | V79-V173 HydrophobicContact CG1-CG2 4.26Å; V81-V173 HydrophobicContact CG1-CG1 3.89Å; V81-V173 HydrophobicContact CG2-CB 4.48Å; V81-V173 HydrophobicContact CG2-CG1 3.79Å; V81-V173 HydrophobicContact CG2-CG2 4.13Å; V90-V173 HydrophobicContact CG1-CG2 4.33Å; V90-V173 HydrophobicContact CG2-CG1 3.96Å; T148-V173 CarbonylContact C-O 3.57Å; T148-V173 WeakPolarHBondContact CA-O 3.49Å; Y149-V173 HydrophobicContact CD2-CG1 4.31Å; Y149-V173 PolarHBondContact N-O 2.96Å; Y149-V173 PolarHBondContact O-N 2.79Å |
| 174 | E | 91.8 | Very high | 78.5 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.1 | -178.4 | -59.7 | -162.2 | 152.4 | 0 | 0 | 112.8 | V146 Y147 T148 I172 H176 | V146-E174 HydrophobicContact CG1-CB 4.38Å; Y147-E174 WeakPolarHBondContact O-CA 3.39Å; T148-E174 HydrophobicContact CG2-CG 4.09Å; T148-E174 PolarHBondContact OG1-OE1 2.87Å; I172-E174 HydrophobicContact CG2-CG 4.09Å; E174-H176 IonicContact OE2-CD2 2.74Å; E174-H176 IonicContact OE2-CE1 2.72Å; E174-H176 IonicContact OE2-NE2 3.54Å; E174-H176 PolarHBondContact OE2-NE2 2.92Å |
| 175 | C | 93.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.8 | 167.2 | -74.4 | 0 | 0 | 0 | 0 | 110.6 | C83 V146 Y147 Y177 | C83-C175 HydrophobicContact CB-CB 3.75Å; C83-C175 WeakPolarHBondContact CB-SG 3.41Å; C83-C175 WeakPolarHBondContact SG-CA 3.48Å; C83-C175 WeakPolarHBondContact SG-CB 3.36Å; C83-C175 CovalentContact SG-SG 2.04Å; C83-C175 PolarHBondContact SG-SG 3.48Å; V146-C175 WeakPolarHBondContact CA-O 3.48Å; Y147-C175 PolarHBondContact N-O 2.83Å; Y147-C175 PolarHBondContact O-N 2.84Å; C175-Y177 HydrophobicContact CB-CD2 4.45Å; C175-Y177 HydrophobicContact CB-CE2 3.52Å |
| 176 | H | 93.2 | Very high | 78.2 | Confident | 111 Ų | 111 | 89.1 Ų | 89.1 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 112.2 | -175.2 | -72.4 | -124.2 | 0 | 0 | 0 | 110.5 | V146 E174 | V146-H176 WeakPolarHBondContact CG1-NE2 3.36Å; E174-H176 IonicContact OE2-CD2 2.74Å; E174-H176 IonicContact OE2-CE1 2.72Å; E174-H176 IonicContact OE2-NE2 3.54Å; E174-H176 PolarHBondContact OE2-NE2 2.92Å |
| 177 | Y | 91.8 | Very high | 77.6 | Confident | 40 Ų | 40 | 92.7 Ų | 92.7 | 16% | 0.157 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.8 | 179.9 | -59.2 | -86.4 | 0 | 0 | 0 | 111.2 | C83 R84 L131 A144 L145 Y147 C175 | C83-Y177 VanDerWaalsContact C-OH 3.32Å; C83-Y177 WeakPolarHBondContact CA-OH 3.41Å; C83-Y177 HydrophobicContact CB-CE1 4.41Å; C83-Y177 WeakPolarHBondContact CB-OH 3.38Å; R84-Y177 PolarHBondContact O-OH 3.21Å; L131-Y177 HydrophobicContact CD1-CD2 4.38Å; L131-Y177 HydrophobicContact CD1-CE1 4.43Å; L131-Y177 HydrophobicContact CD1-CE2 3.6Å; L131-Y177 HydrophobicContact CD2-CE2 3.82Å; L131-Y177 WeakPolarHBondContact CD2-OH 3.45Å; L131-Y177 HydrophobicContact CG-CE2 4.38Å; A144-Y177 CarbonylContact C-O 3.54Å; A144-Y177 WeakPolarHBondContact CA-O 3.5Å; L145-Y177 PolarHBondContact N-O 3.25Å; L145-Y177 PolarHBondContact O-N 3.48Å; Y147-Y177 AromaticContact CD2-CD2 3.64Å; Y147-Y177 HydrophobicContact CD2-CD2 3.64Å; Y147-Y177 AromaticContact CD2-CE2 3.65Å; Y147-Y177 HydrophobicContact CD2-CE2 3.65Å; Y147-Y177 AromaticContact CE2-CD2 3.8Å; Y147-Y177 HydrophobicContact CE2-CD2 3.8Å; Y147-Y177 HydrophobicContact CE2-CE2 4.07Å; C175-Y177 HydrophobicContact CB-CD2 4.45Å; C175-Y177 HydrophobicContact CB-CE2 3.52Å |
| 178 | P | 90.9 | Very high | 76.9 | Confident | 73 Ų | 73 | 96.3 Ų | 96.3 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 134.5 | -180 | 27.7 | -33.2 | 0 | 0 | 0 | 111.5 | D143 K180 H181 | D143-P178 CarbonylContact O-C 3.54Å; D143-P178 WeakPolarHBondContact O-CA 3.22Å; P178-K180 PolarHBondContact O-N 3.23Å; P178-H181 PolarHBondContact O-NE2 3.18Å |
| 179 | R | 87.3 | Confident | 75.7 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 39% | 0.392 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -72.1 | -9.4 | -177 | -77 | 178.8 | 60.2 | -160.3 | -9.4 | 115 | T141 D142 D143 L145 | T141-R179 WeakPolarHBondContact O-CD 3.43Å; T141-R179 PolarHBondContact O-NH1 3.41Å; D142-R179 PolarHBondContact O-NH1 2.77Å; D143-R179 PolarHBondContact O-N 3.36Å; L145-R179 HydrophobicContact CD2-CG 3.94Å; L145-R179 HydrophobicContact CG-CG 3.89Å |
| 180 | K | 80.7 | Confident | 74.7 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 62% | 0.622 | 55% | 0.553 | S | S | * | * | trans | -132.7 | 109.1 | -172.1 | -61.1 | 162.2 | -165.6 | 149.7 | 0 | 108.2 | D143 P178 | D143-K180 IonicContact OD1-NZ 2.66Å; D143-K180 PolarHBondContact OD1-NZ 2.8Å; P178-K180 PolarHBondContact O-N 3.23Å | ||
| 181 | H | 71.9 | Confident | 73.7 | Confident | 142 Ų | 142 | 105.3 Ų | 105.3 | 66% | 0.657 | 57% | 0.569 | S | S | * | * | trans | -106.1 | 138 | 172.6 | -61.9 | -82.2 | 0 | 0 | 0 | 109.7 | P178 | P178-H181 PolarHBondContact O-NE2 3.18Š| ||
| 182 | N | 74.1 | Confident | 72 | Confident | 165 Ų | 165 | 113.8 Ų | 113.8 | 88% | 0.882 | 60% | 0.598 | S | S | * | * | trans | -82.1 | 125.2 | 168 | -172 | 9.5 | 0 | 0 | 0 | 108.7 | ||||
| 183 | V | 67.8 | Low | 70.5 | Confident | 125 Ų | 125 | 114 Ų | 114 | 76% | 0.758 | 60% | 0.604 | S | S | * | * | trans | -116 | 112.6 | -179.9 | -70.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 184 | S | 63.7 | Low | 68.4 | Low | 112 Ų | 112 | 116.8 Ų | 116.8 | 78% | 0.783 | 62% | 0.623 | S | S | * | * | trans | -94.7 | 106.3 | 172.2 | 56.8 | 0 | 0 | 0 | 0 | 109.7 | L186 | S184-L186 PolarHBondContact O-N 2.9Š| ||
| 185 | S | 61.1 | Low | 66.4 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124.2 | 160.1 | 53 | 0 | 0 | 0 | 0 | 108.7 | ||
| 186 | L | 59.8 | Low | 64.4 | Low | 152 Ų | 152 | 123.9 Ų | 123.9 | 80% | 0.796 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 150.6 | 161.4 | -73.7 | 168 | 0 | 0 | 0 | 109.3 | S184 L188 | S184-L186 PolarHBondContact O-N 2.9Å; L186-L188 PolarHBondContact O-N 3Å; L186-L188 VanDerWaalsContact O-N 3.12Å |
| 187 | P | 55.3 | Low | 62.4 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 119.9 | 178.9 | -25.4 | 34.9 | 0 | 0 | 0 | 111.4 | E189 | P187-E189 PolarHBondContact O-N 3.18Š|
| 188 | L | 53 | Low | 60.5 | Low | 165 Ų | 165 | 122 Ų | 122 | 86% | 0.864 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 116.3 | 170.1 | -71.4 | 171.5 | 0 | 0 | 0 | 108.1 | L186 P190 | L186-L188 PolarHBondContact O-N 3Å; L186-L188 VanDerWaalsContact O-N 3.12Å; L188-P190 WeakPolarHBondContact O-CD 3.4Å |
| 189 | E | 45 | Very low | 58.6 | Low | 181 Ų | 181 | 122.3 Ų | 122.3 | 85% | 0.846 | 66% | 0.661 | S | S | * | * | trans | -90.5 | 108 | 175.7 | -168 | 166.1 | -125.2 | 0 | 0 | 109.2 | P187 V191 | P187-E189 PolarHBondContact O-N 3.18Å; E189-V191 PolarHBondContact O-N 3.46Å | ||
| 190 | P | 46.8 | Very low | 56.7 | Low | 94 Ų | 94 | 124 Ų | 124 | 61% | 0.61 | 67% | 0.674 | S | S | * | * | trans | -79.8 | 105.1 | -171.2 | 31 | -33.9 | 0 | 0 | 0 | 111.3 | L188 W192 | L188-P190 WeakPolarHBondContact O-CD 3.4Å; P190-W192 PolarHBondContact O-N 3.12Å | ||
| 191 | V | 55.9 | Low | 55.2 | Low | 144 Ų | 144 | 118.1 Ų | 118.1 | 87% | 0.873 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -62.7 | -11.9 | 174.8 | -173.7 | 0 | 0 | 0 | 0 | 113 | E189 | E189-V191 PolarHBondContact O-N 3.46Š|
| 192 | W | 51.7 | Low | 54.3 | Low | 205 Ų | 205 | 115.9 Ų | 115.9 | 78% | 0.777 | 64% | 0.642 | S | S | * | * | trans | -115.2 | 100.4 | -171.9 | 45.3 | -68.4 | 0 | 0 | 0 | 111.4 | P190 P194 | P190-W192 PolarHBondContact O-N 3.12Å; W192-P194 WeakPolarHBondContact O-CD 3.45Å | ||
| 193 | V | 55.1 | Low | 53.4 | Low | 110 Ų | 110 | 113.7 Ų | 113.7 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | trans | -70.3 | 117.2 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | A197 V198 | V193-A197 HydrophobicContact CG1-CB 3.92Å; V193-V198 HydrophobicContact CG1-CG2 4.13Å | ||
| 194 | P | 46.8 | Very low | 53.1 | Low | 63 Ų | 63 | 114.5 Ų | 114.5 | 41% | 0.409 | 62% | 0.621 | S | S | . | * | trans | -72.5 | 151.3 | -177.2 | 29.6 | -34.7 | 0 | 0 | 0 | 111.2 | W192 S196 A197 V198 | W192-P194 WeakPolarHBondContact O-CD 3.45Å; P194-S196 PolarHBondContact O-N 3.15Å; P194-S196 VanDerWaalsContact O-N 3.07Å; P194-A197 HydrophobicContact CG-CB 3.85Å; P194-A197 WeakPolarHBondContact O-CA 3.33Å; P194-A197 WeakPolarHBondContact O-CB 3.06Å; P194-A197 PolarHBondContact O-N 3.49Å; P194-V198 PolarHBondContact O-N 3.28Å; P194-V198 VanDerWaalsContact O-N 3.15Å | ||
| 195 | F | 49.9 | Very low | 53.7 | Low | 160 Ų | 160 | 110.3 Ų | 110.3 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.6 | -24.2 | -179.5 | -158.6 | -89.3 | 0 | 0 | 0 | 113.2 | V198 K199 | F195-V198 PolarHBondContact O-N 3.07Å; F195-K199 HydrophobicContact CD1-CG 4.26Å; F195-K199 HydrophobicContact CE1-CG 4.09Å; F195-K199 PolarHBondContact O-N 3.47Å |
| 196 | S | 50.3 | Low | 54.8 | Low | 78 Ų | 78 | 111 Ų | 111 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69 | -35.6 | 170.7 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | P194 K199 M200 | P194-S196 PolarHBondContact O-N 3.15Å; P194-S196 VanDerWaalsContact O-N 3.07Å; S196-K199 PolarHBondContact O-N 3.12Å; S196-M200 WeakPolarHBondContact O-CG 3.03Å; S196-M200 PolarHBondContact O-N 3.06Å |
| 197 | A | 51.1 | Low | 56.4 | Low | 40 Ų | 40 | 105 Ų | 105 | 33% | 0.331 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V193 P194 A201 | V193-A197 HydrophobicContact CG1-CB 3.92Å; P194-A197 HydrophobicContact CG-CB 3.85Å; P194-A197 WeakPolarHBondContact O-CA 3.33Å; P194-A197 WeakPolarHBondContact O-CB 3.06Å; P194-A197 PolarHBondContact O-N 3.49Å; A197-A201 WeakPolarHBondContact O-CB 3.24Å; A197-A201 PolarHBondContact O-N 2.87Å |
| 198 | V | 52.5 | Low | 58.2 | Low | 70 Ų | 70 | 100.5 Ų | 100.5 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 171.3 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | V193 P194 F195 A201 E202 | V193-V198 HydrophobicContact CG1-CG2 4.13Å; P194-V198 PolarHBondContact O-N 3.28Å; P194-V198 VanDerWaalsContact O-N 3.15Å; F195-V198 PolarHBondContact O-N 3.07Å; V198-A201 CarbonylContact O-C 3.48Å; V198-A201 WeakPolarHBondContact O-CA 3.31Å; V198-A201 PolarHBondContact O-N 2.73Å; V198-E202 PolarHBondContact O-N 3.31Å |
| 199 | K | 50 | Low | 60.2 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 35% | 0.352 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 178.1 | -89.4 | -72.6 | 171.4 | -161.5 | 0 | 114 | F195 S196 A201 E202 E203 | F195-K199 HydrophobicContact CD1-CG 4.26Å; F195-K199 HydrophobicContact CE1-CG 4.09Å; F195-K199 PolarHBondContact O-N 3.47Å; S196-K199 PolarHBondContact O-N 3.12Å; K199-A201 PolarHBondContact O-N 3.3Å; K199-E202 WeakPolarHBondContact CD-OE2 3.1Å; K199-E202 WeakPolarHBondContact CE-OE2 3.42Å; K199-E202 IonicContact NZ-OE1 3.46Å; K199-E202 PolarHBondContact NZ-OE1 2.94Å; K199-E202 IonicContact NZ-OE2 2.66Å; K199-E202 PolarHBondContact NZ-OE2 3.12Å; K199-E202 WeakPolarHBondContact O-CA 3.47Å; K199-E202 VanDerWaalsContact O-CB 3.29Å; K199-E202 WeakPolarHBondContact O-CB 3.28Å; K199-E202 PolarHBondContact O-N 3.46Å; K199-E203 WeakPolarHBondContact O-CG 3.39Å; K199-E203 PolarHBondContact O-N 3.11Å; K199-E203 VanDerWaalsContact O-N 3.07Å |
| 200 | M | 48.5 | Very low | 62.6 | Low | 139 Ų | 139 | 87.4 Ų | 87.4 | 69% | 0.685 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.6 | -22.3 | 173.4 | -65.1 | -159.5 | -54.8 | 0 | 0 | 112.4 | S196 E202 | S196-M200 WeakPolarHBondContact O-CG 3.03Å; S196-M200 PolarHBondContact O-N 3.06Å; M200-E202 VanDerWaalsContact C-N 3.3Å |
| 201 | A | 49.2 | Very low | 65 | Low | 20 Ų | 20 | 83 Ų | 83 | 17% | 0.165 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -83.7 | 0.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A197 V198 K199 H242 | A197-A201 WeakPolarHBondContact O-CB 3.24Å; A197-A201 PolarHBondContact O-N 2.87Å; V198-A201 CarbonylContact O-C 3.48Å; V198-A201 WeakPolarHBondContact O-CA 3.31Å; V198-A201 PolarHBondContact O-N 2.73Å; K199-A201 PolarHBondContact O-N 3.3Å; A201-H242 VanDerWaalsContact C-CE1 3.45Å; A201-H242 WeakPolarHBondContact CA-CE1 3.01Å; A201-H242 HydrophobicContact CB-CB 4.45Å; A201-H242 PolarHBondContact O-CE1 3.15Å; A201-H242 PolarHBondContact O-ND1 3.45Å |
| 202 | E | 52.6 | Low | 66.9 | Low | 94 Ų | 94 | 76.6 Ų | 76.6 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -103.3 | -29.9 | 173.9 | -159.2 | -174.3 | 135.8 | 0 | 0 | 111 | V198 K199 M200 | V198-E202 PolarHBondContact O-N 3.31Å; K199-E202 WeakPolarHBondContact CD-OE2 3.1Å; K199-E202 WeakPolarHBondContact CE-OE2 3.42Å; K199-E202 IonicContact NZ-OE1 3.46Å; K199-E202 PolarHBondContact NZ-OE1 2.94Å; K199-E202 IonicContact NZ-OE2 2.66Å; K199-E202 PolarHBondContact NZ-OE2 3.12Å; K199-E202 WeakPolarHBondContact O-CA 3.47Å; K199-E202 VanDerWaalsContact O-CB 3.29Å; K199-E202 WeakPolarHBondContact O-CB 3.28Å; K199-E202 PolarHBondContact O-N 3.46Å; M200-E202 VanDerWaalsContact C-N 3.3Å |
| 203 | E | 55.8 | Low | 68.9 | Low | 119 Ų | 119 | 68.3 Ų | 68.3 | 56% | 0.556 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -73.2 | -43.8 | -166.2 | -80.3 | 171.9 | 174.4 | 0 | 0 | 115.2 | K199 | K199-E203 WeakPolarHBondContact O-CG 3.39Å; K199-E203 PolarHBondContact O-N 3.11Å; K199-E203 VanDerWaalsContact O-N 3.07Å |
| 204 | F | 60.6 | Low | 70.6 | Confident | 143 Ų | 143 | 67.8 Ų | 67.8 | 63% | 0.627 | 35% | 0.345 | S | S | * | . | trans | -148.5 | 103.8 | 177.4 | -64.2 | -75.3 | 0 | 0 | 0 | 114.3 | Y206 | F204-Y206 HydrophobicContact CB-CD2 4.46Å; F204-Y206 HydrophobicContact CB-CE2 3.75Å | ||
| 205 | L | 75.9 | Confident | 72.8 | Confident | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | trans | -84.7 | 131.8 | 158 | -80.3 | -178.5 | 0 | 0 | 0 | 110.7 | V237 H242 L245 A321 W409 | L205-V237 HydrophobicContact CB-CG2 4.22Å; L205-V237 HydrophobicContact CD1-CG2 3.98Å; L205-V237 HydrophobicContact CD2-CG2 4.13Å; L205-V237 HydrophobicContact CG-CG2 4.37Å; L205-H242 WeakPolarHBondContact CD2-CE1 3.01Å; L205-H242 WeakPolarHBondContact CD2-ND1 3.36Å; L205-L245 HydrophobicContact CD1-CD1 3.35Å; L205-L245 HydrophobicContact CD2-CD1 3.74Å; L205-L245 HydrophobicContact CG-CD1 4.21Å; L205-A321 HydrophobicContact CD1-CB 4.35Å; L205-W409 HydrophobicContact CD1-CB 3.69Å; L205-W409 HydrophobicContact CD1-CD2 3.5Å; L205-W409 VanDerWaalsContact CD1-CD2 3.5Å; L205-W409 HydrophobicContact CD1-CE3 3.99Å; L205-W409 HydrophobicContact CD1-CG 3.39Å; L205-W409 HydrophobicContact CG-CD2 4.5Å; L205-W409 HydrophobicContact CG-CG 4.23Å | ||
| 206 | Y | 85.8 | Confident | 74.8 | Confident | 125 Ų | 125 | 63.1 Ų | 63.1 | 49% | 0.49 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 97 | 176.8 | -66.2 | -93.2 | 0 | 0 | 0 | 109.7 | F204 K238 Y240 | F204-Y206 HydrophobicContact CB-CD2 4.46Å; F204-Y206 HydrophobicContact CB-CE2 3.75Å; Y206-K238 PolarHBondContact O-N 3.47Å; Y206-Y240 AromaticContact CD2-CE2 3.84Å; Y206-Y240 HydrophobicContact CD2-CE2 3.84Å |
| 207 | F | 92.6 | Very high | 76.7 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 149.9 | 162.3 | -63.1 | -82.1 | 0 | 0 | 0 | 110.1 | T236 V237 V247 L319 A321 W409 V413 | F207-T236 CarbonylContact C-O 3.57Å; F207-T236 WeakPolarHBondContact CA-O 3.36Å; F207-V237 HydrophobicContact CD1-CB 4.1Å; F207-V237 HydrophobicContact CD1-CG2 4.02Å; F207-V237 HydrophobicContact CE1-CB 4.19Å; F207-V237 HydrophobicContact CE1-CG2 3.93Å; F207-V237 HydrophobicContact CZ-CG2 4.41Å; F207-V247 HydrophobicContact CD1-CG2 4.24Å; F207-V247 HydrophobicContact CE1-CG2 4.17Å; F207-L319 HydrophobicContact CB-CD1 3.8Å; F207-L319 HydrophobicContact CD1-CB 3.68Å; F207-L319 HydrophobicContact CD1-CD1 4.12Å; F207-L319 HydrophobicContact CE1-CB 3.95Å; F207-L319 HydrophobicContact CG-CB 4.09Å; F207-L319 HydrophobicContact CG-CD1 4.19Å; F207-A321 HydrophobicContact CE1-CB 3.88Å; F207-A321 HydrophobicContact CZ-CB 3.91Å; F207-W409 HydrophobicContact CZ-CB 4.42Å; F207-V413 HydrophobicContact CB-CG2 3.9Å |
| 208 | T | 93.9 | Very high | 78.7 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 19% | 0.19 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 123.9 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 109 | K210 T236 | T208-K210 HydrophobicContact CG2-CG 4.15Å; T208-T236 PolarHBondContact N-O 2.77Å; T208-T236 PolarHBondContact O-N 2.82Å; T208-T236 PolarHBondContact O-OG1 2.82Å |
| 209 | M | 95 | Very high | 80.6 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 5% | 0.054 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 146.5 | 167.8 | -64.1 | 177.3 | 66.3 | 0 | 0 | 109.8 | I233 E234 V235 I315 C317 L319 V413 L415 | M209-I233 HydrophobicContact CE-CG2 3.73Å; M209-E234 CarbonylContact C-O 3.57Å; M209-E234 VanDerWaalsContact CA-O 3.29Å; M209-E234 WeakPolarHBondContact CA-O 3.47Å; M209-V235 HydrophobicContact CG-CG2 4.22Å; M209-I315 HydrophobicContact CE-CG2 4.41Å; M209-C317 HydrophobicContact CE-CB 3.99Å; M209-C317 WeakPolarHBondContact CE-SG 3.4Å; M209-C317 HydrophobicContact SD-CB 3.78Å; M209-L319 HydrophobicContact CG-CD1 3.95Å; M209-L319 HydrophobicContact SD-CD1 4.34Å; M209-V413 HydrophobicContact CB-CG1 3.82Å; M209-V413 HydrophobicContact CG-CB 3.93Å; M209-V413 HydrophobicContact CG-CG1 3.64Å; M209-V413 HydrophobicContact SD-CB 3.74Å; M209-V413 HydrophobicContact SD-CG1 3.79Å; M209-V413 VanDerWaalsContact SD-O 3.39Å; M209-L415 HydrophobicContact CB-CD1 3.99Å; M209-L415 HydrophobicContact CB-CD2 3.93Å; M209-L415 HydrophobicContact CB-CG 3.85Å; M209-L415 HydrophobicContact CE-CD1 3.84Å; M209-L415 HydrophobicContact CE-CG 4.09Å |
| 210 | K | 95.3 | Very high | 82.5 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 27% | 0.265 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.5 | 177.6 | -66.1 | -169.1 | 169.6 | -152.9 | 0 | 111.3 | T208 M212 E219 I233 E234 | T208-K210 HydrophobicContact CG2-CG 4.15Å; K210-M212 HydrophobicContact CB-SD 3.92Å; K210-E219 HydrophobicContact CB-CG 4.5Å; K210-E219 HydrophobicContact CD-CB 4.46Å; K210-E219 HydrophobicContact CD-CG 4.21Å; K210-E219 WeakPolarHBondContact CE-OE2 3.3Å; K210-E219 IonicContact NZ-OE2 2.68Å; K210-E219 PolarHBondContact NZ-OE2 2.9Å; K210-I233 WeakPolarHBondContact O-CA 3.4Å; K210-E234 PolarHBondContact N-O 3.33Å; K210-E234 PolarHBondContact O-N 2.96Å |
| 211 | L | 95.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130.4 | 163.8 | -65 | 174.8 | 0 | 0 | 0 | 108.6 | E219 R220 Y223 Y225 I231 R232 I233 L415 I418 | L211-E219 CarbonylContact O-C 3.54Å; L211-E219 WeakPolarHBondContact O-CA 3.43Å; L211-R220 HydrophobicContact CB-CB 4.32Å; L211-R220 PolarHBondContact O-N 3.36Å; L211-Y223 HydrophobicContact CB-CE1 4.46Å; L211-Y223 HydrophobicContact CD1-CD1 3.66Å; L211-Y223 HydrophobicContact CD1-CD2 3.77Å; L211-Y223 HydrophobicContact CD1-CE1 3.94Å; L211-Y223 HydrophobicContact CD1-CE2 4.04Å; L211-Y223 HydrophobicContact CD1-CG 3.57Å; L211-Y225 HydrophobicContact CD1-CE2 4.26Å; L211-I231 HydrophobicContact CD2-CG2 3.57Å; L211-R232 WeakPolarHBondContact CA-O 3.36Å; L211-I233 HydrophobicContact CD2-CG1 3.98Å; L211-L415 HydrophobicContact CD2-CD1 3.92Å; L211-L415 HydrophobicContact CG-CD1 4.14Å; L211-I418 HydrophobicContact CD1-CD1 4.17Å; L211-I418 HydrophobicContact CD1-CG1 4.32Å; L211-I418 HydrophobicContact CD2-CD1 4.28Å |
| 212 | M | 95.5 | Very high | 86.2 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -110.7 | 157.7 | -172.7 | -58.9 | -58.5 | -76.4 | 0 | 0 | 112.8 | K210 W216 N218 R232 E234 | K210-M212 HydrophobicContact CB-SD 3.92Å; M212-W216 HydrophobicContact CB-CE3 3.95Å; M212-W216 HydrophobicContact CB-CZ3 4.34Å; M212-W216 WeakPolarHBondContact CE-O 3.47Å; M212-W216 HydrophobicContact CG-CE3 4.05Å; M212-W216 HydrophobicContact CG-CZ3 4.32Å; M212-N218 WeakPolarHBondContact CA-O 3.32Å; M212-N218 WeakPolarHBondContact CE-O 3.35Å; M212-R232 HydrophobicContact CB-CB 4.12Å; M212-R232 PolarHBondContact N-O 3.15Å; M212-E234 HydrophobicContact CG-CB 3.51Å; M212-E234 HydrophobicContact SD-CB 3.87Å |
| 213 | T | 94.3 | Very high | 87.9 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | trans | -70.4 | 163.1 | 168.5 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | D215 W216 N218 R232 | T213-D215 VanDerWaalsContact CB-OD1 3.28Å; T213-D215 WeakPolarHBondContact CB-OD1 3.36Å; T213-D215 PolarHBondContact O-N 2.96Å; T213-D215 VanDerWaalsContact O-N 3.17Å; T213-D215 PolarHBondContact OG1-OD1 2.71Å; T213-W216 PolarHBondContact O-N 3.35Å; T213-N218 HydrophobicContact CG2-CB 4.05Å; T213-N218 PolarHBondContact N-O 3.16Å; T213-N218 PolarHBondContact OG1-N 3.04Å; T213-N218 VanDerWaalsContact OG1-N 3.1Å; T213-N218 PolarHBondContact OG1-O 2.95Å; T213-N218 VanDerWaalsContact OG1-O 3.07Å; T213-R232 WeakPolarHBondContact O-CD 3.31Å | ||
| 214 | D | 91.3 | Very high | 89.5 | Confident | 99 Ų | 99 | 66.8 Ų | 66.8 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18 | -173.4 | -83 | -72.4 | 0 | 0 | 0 | 115.6 | R232 | D214-R232 IonicContact OD1-CZ 3.94Å; D214-R232 IonicContact OD1-NE 3.3Å; D214-R232 PolarHBondContact OD1-NE 3.09Å; D214-R232 IonicContact OD1-NH2 2.78Å; D214-R232 PolarHBondContact OD1-NH2 2.82Å |
| 215 | D | 92 | Very high | 91 | Very high | 89 Ų | 89 | 60 Ų | 60 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2.2 | 173.2 | 60.2 | 3.1 | 0 | 0 | 0 | 113.7 | T213 L217 | T213-D215 VanDerWaalsContact CB-OD1 3.28Å; T213-D215 WeakPolarHBondContact CB-OD1 3.36Å; T213-D215 PolarHBondContact O-N 2.96Å; T213-D215 VanDerWaalsContact O-N 3.17Å; T213-D215 PolarHBondContact OG1-OD1 2.71Å; D215-L217 HydrophobicContact CB-CD1 4.3Å; D215-L217 HydrophobicContact CB-CG 4.02Å; D215-L217 PolarHBondContact O-N 3.07Å; D215-L217 PolarHBondContact OD1-N 3.26Å |
| 216 | W | 92.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 62.1 Ų | 62.1 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 58.6 | 12.5 | -171.7 | -58 | 91.1 | 0 | 0 | 0 | 115.5 | M212 T213 R232 M288 Q297 F298 Q299 | M212-W216 HydrophobicContact CB-CE3 3.95Å; M212-W216 HydrophobicContact CB-CZ3 4.34Å; M212-W216 WeakPolarHBondContact CE-O 3.47Å; M212-W216 HydrophobicContact CG-CE3 4.05Å; M212-W216 HydrophobicContact CG-CZ3 4.32Å; T213-W216 PolarHBondContact O-N 3.35Å; W216-R232 HydrophobicContact CE3-CB 4.27Å; W216-R232 HydrophobicContact CH2-CB 3.6Å; W216-R232 HydrophobicContact CH2-CG 3.9Å; W216-R232 HydrophobicContact CZ2-CB 3.93Å; W216-R232 HydrophobicContact CZ2-CG 3.71Å; W216-R232 HydrophobicContact CZ3-CB 3.78Å; W216-R232 HydrophobicContact CZ3-CG 4.47Å; W216-M288 HydrophobicContact CH2-CG 3.93Å; W216-M288 HydrophobicContact CZ2-CE 4.48Å; W216-M288 HydrophobicContact CZ2-CG 3.45Å; W216-M288 VanDerWaalsContact CZ2-CG 3.45Å; W216-M288 HydrophobicContact CZ2-SD 3.78Å; W216-Q297 HydrophobicContact CE3-CB 3.99Å; W216-Q297 VanDerWaalsContact CE3-CD 3.49Å; W216-Q297 HydrophobicContact CE3-CG 3.75Å; W216-Q297 HydrophobicContact CH2-CB 3.96Å; W216-Q297 HydrophobicContact CZ3-CB 3.6Å; W216-Q297 HydrophobicContact CZ3-CG 3.74Å; W216-F298 WeakPolarHBondContact CH2-O 3.28Å; W216-Q299 HydrophobicContact CZ2-CB 4.5Å |
| 217 | L | 90.8 | Very high | 92 | Very high | 131 Ų | 131 | 58.9 Ų | 58.9 | 69% | 0.686 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -85.9 | -25.9 | -175.1 | -62.1 | -176 | 0 | 0 | 0 | 113.8 | D215 | D215-L217 HydrophobicContact CB-CD1 4.3Å; D215-L217 HydrophobicContact CB-CG 4.02Å; D215-L217 PolarHBondContact O-N 3.07Å; D215-L217 PolarHBondContact OD1-N 3.26Å |
| 218 | N | 92.7 | Very high | 91.8 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -138.1 | 157.7 | -171.3 | -64 | -86.6 | 0 | 0 | 0 | 112.4 | M212 T213 | M212-N218 WeakPolarHBondContact CA-O 3.32Å; M212-N218 WeakPolarHBondContact CE-O 3.35Å; T213-N218 HydrophobicContact CG2-CB 4.05Å; T213-N218 PolarHBondContact N-O 3.16Å; T213-N218 PolarHBondContact OG1-N 3.04Å; T213-N218 VanDerWaalsContact OG1-N 3.1Å; T213-N218 PolarHBondContact OG1-O 2.95Å; T213-N218 VanDerWaalsContact OG1-O 3.07Å |
| 219 | E | 93.3 | Very high | 91.8 | Very high | 93 Ų | 93 | 60.2 Ų | 60.2 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 133 | 167.7 | -173 | 166.9 | -168.4 | 0 | 0 | 109.8 | K210 L211 | K210-E219 HydrophobicContact CB-CG 4.5Å; K210-E219 HydrophobicContact CD-CB 4.46Å; K210-E219 HydrophobicContact CD-CG 4.21Å; K210-E219 WeakPolarHBondContact CE-OE2 3.3Å; K210-E219 IonicContact NZ-OE2 2.68Å; K210-E219 PolarHBondContact NZ-OE2 2.9Å; L211-E219 CarbonylContact O-C 3.54Å; L211-E219 WeakPolarHBondContact O-CA 3.43Å |
| 220 | R | 90.4 | Very high | 91.7 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | trans | -75.7 | 121.4 | -171.3 | -171.3 | -178.9 | 169.6 | 124.9 | -13.7 | 110.4 | L211 S222 Q224 Y225 | L211-R220 HydrophobicContact CB-CB 4.32Å; L211-R220 PolarHBondContact O-N 3.36Å; R220-S222 VanDerWaalsContact CD-O 3.3Å; R220-S222 WeakPolarHBondContact CD-O 3.41Å; R220-S222 WeakPolarHBondContact CG-O 3.42Å; R220-S222 PolarHBondContact NE-O 2.7Å; R220-S222 PolarHBondContact O-N 2.78Å; R220-Q224 PolarHBondContact NH2-O 2.81Å; R220-Y225 WeakPolarHBondContact CD-OH 3.41Å | ||
| 221 | P | 87.1 | Confident | 91.8 | Very high | 125 Ų | 125 | 58.6 Ų | 58.6 | 81% | 0.812 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -73.6 | -8.9 | -175.9 | 30.4 | -36.8 | 0 | 0 | 0 | 114.2 | ||
| 222 | S | 86.9 | Confident | 91.8 | Very high | 61 Ų | 61 | 60 Ų | 60 | 43% | 0.427 | 32% | 0.32 | S | S | . | . | trans | -130.4 | 120.3 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | R220 Q224 | R220-S222 VanDerWaalsContact CD-O 3.3Å; R220-S222 WeakPolarHBondContact CD-O 3.41Å; R220-S222 WeakPolarHBondContact CG-O 3.42Å; R220-S222 PolarHBondContact NE-O 2.7Å; R220-S222 PolarHBondContact O-N 2.78Å; S222-Q224 PolarHBondContact O-N 3.06Å; S222-Q224 VanDerWaalsContact O-N 3.14Å | ||
| 223 | Y | 88.3 | Confident | 91.9 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | trans | -80.8 | 13.9 | 178.6 | -72.1 | 20.7 | 0 | 0 | 0 | 112.1 | L211 Y225 I418 P419 | L211-Y223 HydrophobicContact CB-CE1 4.46Å; L211-Y223 HydrophobicContact CD1-CD1 3.66Å; L211-Y223 HydrophobicContact CD1-CD2 3.77Å; L211-Y223 HydrophobicContact CD1-CE1 3.94Å; L211-Y223 HydrophobicContact CD1-CE2 4.04Å; L211-Y223 HydrophobicContact CD1-CG 3.57Å; Y223-Y225 WeakPolarHBondContact O-CD2 3.45Å; Y223-I418 WeakPolarHBondContact O-CG2 3.38Å; Y223-P419 VanDerWaalsContact O-CD 3.3Å; Y223-P419 WeakPolarHBondContact O-CD 3.35Å | ||
| 224 | Q | 90.4 | Very high | 92 | Very high | 90 Ų | 90 | 59.1 Ų | 59.1 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | trans | -93.5 | 131.6 | -178.1 | -175.2 | 171.3 | 76.8 | 0 | 0 | 110.7 | R220 S222 P419 M421 | R220-Q224 PolarHBondContact NH2-O 2.81Å; S222-Q224 PolarHBondContact O-N 3.06Å; S222-Q224 VanDerWaalsContact O-N 3.14Å; Q224-P419 WeakPolarHBondContact CA-O 3.29Å; Q224-P419 HydrophobicContact CB-CG 4.14Å; Q224-P419 HydrophobicContact CG-CG 4.41Å; Q224-M421 HydrophobicContact CG-CE 3.76Å; Q224-M421 HydrophobicContact CG-SD 4.38Å; Q224-M421 PolarHBondContact NE2-SD 3.42Å; Q224-M421 VanDerWaalsContact NE2-SD 3.39Å | ||
| 225 | Y | 92.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 168.6 | 178.8 | -68 | -95.2 | 0 | 0 | 0 | 109.6 | L211 R220 Y223 D229 I231 I418 P419 I420 M421 | L211-Y225 HydrophobicContact CD1-CE2 4.26Å; R220-Y225 WeakPolarHBondContact CD-OH 3.41Å; Y223-Y225 WeakPolarHBondContact O-CD2 3.45Å; Y225-D229 HydrophobicContact CD1-CB 4.01Å; Y225-I231 HydrophobicContact CD1-CG1 3.93Å; Y225-I231 HydrophobicContact CD2-CG1 4.34Å; Y225-I231 HydrophobicContact CE1-CB 4.2Å; Y225-I231 HydrophobicContact CE1-CG1 4.02Å; Y225-I231 HydrophobicContact CE1-CG2 4.36Å; Y225-I231 HydrophobicContact CE2-CG1 4.43Å; Y225-I231 HydrophobicContact CE2-CG2 4.18Å; Y225-I231 HydrophobicContact CG-CG1 4.09Å; Y225-I418 HydrophobicContact CD2-CG2 3.66Å; Y225-I418 HydrophobicContact CE2-CG2 4.04Å; Y225-P419 PolarHBondContact N-O 2.74Å; Y225-I420 WeakPolarHBondContact O-CA 3.43Å; Y225-M421 PolarHBondContact O-N 3.17Å |
| 226 | F | 91.9 | Very high | 92.5 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 160 | 169.4 | -62.3 | -97.6 | 0 | 0 | 0 | 110.8 | G228 D229 A302 M421 K423 | F226-G228 PolarHBondContact O-N 3.43Å; F226-D229 PolarHBondContact N-OD2 3.29Å; F226-D229 VanDerWaalsContact O-CB 3.24Å; F226-D229 WeakPolarHBondContact O-CB 3.5Å; F226-D229 VanDerWaalsContact O-CG 3.3Å; F226-D229 PolarHBondContact O-N 3.43Å; F226-A302 VanDerWaalsContact O-CB 3.31Å; F226-A302 WeakPolarHBondContact O-CB 3.31Å; F226-M421 CarbonylContact C-O 3.49Å; F226-M421 WeakPolarHBondContact CA-O 3.43Å; F226-M421 HydrophobicContact CD1-CB 3.85Å; F226-M421 HydrophobicContact CD1-CE 4.28Å; F226-M421 HydrophobicContact CE1-CB 4.03Å; F226-M421 HydrophobicContact CE1-CE 3.5Å; F226-M421 HydrophobicContact CE2-CE 4.24Å; F226-M421 HydrophobicContact CZ-CE 3.47Å; F226-M421 VanDerWaalsContact CZ-CE 3.47Å; F226-K423 HydrophobicContact CB-CD 4.25Å; F226-K423 HydrophobicContact CB-CG 3.6Å; F226-K423 HydrophobicContact CD1-CG 3.84Å; F226-K423 HydrophobicContact CG-CG 3.91Å |
| 227 | L | 90.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 134.1 | 172.1 | -64 | 178.4 | 0 | 0 | 0 | 111 | D229 A302 R304 I420 M421 E422 K423 | L227-D229 VanDerWaalsContact C-N 3.31Å; L227-A302 WeakPolarHBondContact CD2-O 3.49Å; L227-R304 HydrophobicContact CD2-CB 4.32Å; L227-R304 HydrophobicContact CD2-CG 4.13Å; L227-I420 HydrophobicContact CD2-CG2 3.71Å; L227-I420 HydrophobicContact CG-CG2 4.33Å; L227-M421 PolarHBondContact N-O 3.48Å; L227-E422 HydrophobicContact CD1-CG 3.99Å; L227-K423 PolarHBondContact O-NZ 3.21Å |
| 228 | G | 88.2 | Confident | 92.3 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 46% | 0.464 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 14.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | F226 | F226-G228 PolarHBondContact O-N 3.43Š|
| 229 | D | 92.8 | Very high | 91.5 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | trans | -86.8 | 155.8 | 161 | -65.2 | -6.2 | 0 | 0 | 0 | 110.1 | Y225 F226 L227 A302 K423 | Y225-D229 HydrophobicContact CD1-CB 4.01Å; F226-D229 PolarHBondContact N-OD2 3.29Å; F226-D229 VanDerWaalsContact O-CB 3.24Å; F226-D229 WeakPolarHBondContact O-CB 3.5Å; F226-D229 VanDerWaalsContact O-CG 3.3Å; F226-D229 PolarHBondContact O-N 3.43Å; L227-D229 VanDerWaalsContact C-N 3.31Å; D229-A302 HydrophobicContact CB-CB 4.46Å; D229-A302 WeakPolarHBondContact O-CB 3.45Å; D229-A302 PolarHBondContact O-N 3.22Å; D229-K423 VanDerWaalsContact OD1-CE 3.27Å; D229-K423 WeakPolarHBondContact OD1-CE 3.38Å; D229-K423 IonicContact OD1-NZ 2.7Å; D229-K423 PolarHBondContact OD1-NZ 3.24Å | ||
| 230 | L | 94.5 | Very high | 90.5 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.199 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.4 | 173.8 | -67.5 | 170.3 | 0 | 0 | 0 | 110.9 | R232 D284 E301 | L230-R232 PolarHBondContact O-N 3.22Å; L230-D284 HydrophobicContact CD2-CB 4.41Å; L230-E301 HydrophobicContact CD2-CB 4.27Å; L230-E301 HydrophobicContact CD2-CG 4.48Å |
| 231 | I | 95.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 105.6 | 170.9 | -49.7 | 178.1 | 0 | 0 | 0 | 107.8 | L211 Y225 I233 Q299 L300 A302 I313 I420 | L211-I231 HydrophobicContact CD2-CG2 3.57Å; Y225-I231 HydrophobicContact CD1-CG1 3.93Å; Y225-I231 HydrophobicContact CD2-CG1 4.34Å; Y225-I231 HydrophobicContact CE1-CB 4.2Å; Y225-I231 HydrophobicContact CE1-CG1 4.02Å; Y225-I231 HydrophobicContact CE1-CG2 4.36Å; Y225-I231 HydrophobicContact CE2-CG1 4.43Å; Y225-I231 HydrophobicContact CE2-CG2 4.18Å; Y225-I231 HydrophobicContact CG-CG1 4.09Å; I231-I233 HydrophobicContact CG2-CD1 4.19Å; I231-I233 HydrophobicContact CG2-CG1 4.04Å; I231-Q299 WeakPolarHBondContact O-CA 3.48Å; I231-L300 WeakPolarHBondContact CA-O 3.25Å; I231-L300 HydrophobicContact CB-CB 4.4Å; I231-L300 WeakPolarHBondContact CB-O 3.48Å; I231-L300 PolarHBondContact N-O 2.97Å; I231-L300 PolarHBondContact O-N 2.77Å; I231-A302 HydrophobicContact CD1-CB 4.05Å; I231-A302 HydrophobicContact CG1-CB 4Å; I231-I313 HydrophobicContact CD1-CD1 4.43Å; I231-I420 HydrophobicContact CD1-CD1 3.94Å |
| 232 | R | 96.6 | Very high | 88.8 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 117.1 | 177.8 | -65.3 | -178 | -166.5 | -71.3 | -3.7 | 110.1 | L211 M212 T213 D214 W216 L230 | L211-R232 WeakPolarHBondContact CA-O 3.36Å; M212-R232 HydrophobicContact CB-CB 4.12Å; M212-R232 PolarHBondContact N-O 3.15Å; T213-R232 WeakPolarHBondContact O-CD 3.31Å; D214-R232 IonicContact OD1-CZ 3.94Å; D214-R232 IonicContact OD1-NE 3.3Å; D214-R232 PolarHBondContact OD1-NE 3.09Å; D214-R232 IonicContact OD1-NH2 2.78Å; D214-R232 PolarHBondContact OD1-NH2 2.82Å; W216-R232 HydrophobicContact CE3-CB 4.27Å; W216-R232 HydrophobicContact CH2-CB 3.6Å; W216-R232 HydrophobicContact CH2-CG 3.9Å; W216-R232 HydrophobicContact CZ2-CB 3.93Å; W216-R232 HydrophobicContact CZ2-CG 3.71Å; W216-R232 HydrophobicContact CZ3-CB 3.78Å; W216-R232 HydrophobicContact CZ3-CG 4.47Å; L230-R232 PolarHBondContact O-N 3.22Å |
| 233 | I | 97.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.1 | -177.7 | -62.2 | 168.5 | 0 | 0 | 0 | 108.7 | M209 K210 L211 I231 V235 Q297 F298 I315 L415 | M209-I233 HydrophobicContact CE-CG2 3.73Å; K210-I233 WeakPolarHBondContact O-CA 3.4Å; L211-I233 HydrophobicContact CD2-CG1 3.98Å; I231-I233 HydrophobicContact CG2-CD1 4.19Å; I231-I233 HydrophobicContact CG2-CG1 4.04Å; I233-V235 HydrophobicContact CG2-CG2 4.25Å; I233-Q297 WeakPolarHBondContact O-CA 3.49Å; I233-F298 HydrophobicContact CB-CD1 4.32Å; I233-F298 HydrophobicContact CB-CD2 4.33Å; I233-F298 HydrophobicContact CB-CE1 3.96Å; I233-F298 HydrophobicContact CB-CE2 3.97Å; I233-F298 HydrophobicContact CB-CZ 3.78Å; I233-F298 HydrophobicContact CD1-CD2 4.48Å; I233-F298 HydrophobicContact CD1-CE2 3.6Å; I233-F298 HydrophobicContact CD1-CZ 3.78Å; I233-F298 HydrophobicContact CG1-CE2 4.3Å; I233-F298 HydrophobicContact CG1-CZ 4.37Å; I233-F298 HydrophobicContact CG2-CD1 4.35Å; I233-F298 HydrophobicContact CG2-CE1 3.63Å; I233-F298 HydrophobicContact CG2-CE2 4.32Å; I233-F298 HydrophobicContact CG2-CZ 3.62Å; I233-F298 PolarHBondContact N-O 3.45Å; I233-F298 PolarHBondContact O-N 2.86Å; I233-I315 HydrophobicContact CD1-CD1 3.93Å; I233-L415 HydrophobicContact CG1-CD1 4.28Å; I233-L415 HydrophobicContact CG2-CD1 4.14Å |
| 234 | E | 97.5 | Very high | 88.7 | Confident | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.3 | 168.1 | 176.6 | 171.9 | 114.2 | 0 | 0 | 109.7 | M209 K210 M212 T236 K295 Q297 | M209-E234 CarbonylContact C-O 3.57Å; M209-E234 VanDerWaalsContact CA-O 3.29Å; M209-E234 WeakPolarHBondContact CA-O 3.47Å; K210-E234 PolarHBondContact N-O 3.33Å; K210-E234 PolarHBondContact O-N 2.96Å; M212-E234 HydrophobicContact CG-CB 3.51Å; M212-E234 HydrophobicContact SD-CB 3.87Å; E234-T236 HydrophobicContact CG-CG2 4.08Å; E234-K295 HydrophobicContact CG-CD 4.05Å; E234-K295 HydrophobicContact CG-CG 4.06Å; E234-K295 WeakPolarHBondContact OE2-CD 3.39Å; E234-Q297 HydrophobicContact CB-CG 4.13Å; E234-Q297 HydrophobicContact CG-CG 4.06Å; E234-Q297 PolarHBondContact OE2-NE2 2.98Å |
| 235 | V | 97 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.2 | 174.9 | -173 | 0 | 0 | 0 | 0 | 108 | M209 I233 V247 V249 K295 L296 F298 L319 | M209-V235 HydrophobicContact CG-CG2 4.22Å; I233-V235 HydrophobicContact CG2-CG2 4.25Å; V235-V247 HydrophobicContact CG1-CG2 4.1Å; V235-V249 HydrophobicContact CB-CG2 4.39Å; V235-V249 HydrophobicContact CG1-CG2 4.41Å; V235-V249 HydrophobicContact CG2-CG2 3.83Å; V235-K295 CarbonylContact O-C 3.59Å; V235-K295 VanDerWaalsContact O-CA 3.31Å; V235-K295 WeakPolarHBondContact O-CA 3.36Å; V235-L296 PolarHBondContact N-O 3.18Å; V235-L296 PolarHBondContact O-N 2.86Å; V235-F298 HydrophobicContact CG2-CD1 4.37Å; V235-F298 HydrophobicContact CG2-CE1 3.79Å; V235-L319 HydrophobicContact CG1-CD1 3.66Å; V235-L319 HydrophobicContact CG1-CD2 3.75Å; V235-L319 HydrophobicContact CG1-CG 4.28Å |
| 236 | T | 95.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.7 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 111 | F207 T208 E234 N294 K295 | F207-T236 CarbonylContact C-O 3.57Å; F207-T236 WeakPolarHBondContact CA-O 3.36Å; T208-T236 PolarHBondContact N-O 2.77Å; T208-T236 PolarHBondContact O-N 2.82Å; T208-T236 PolarHBondContact O-OG1 2.82Å; E234-T236 HydrophobicContact CG-CG2 4.08Å; T236-N294 WeakPolarHBondContact CA-O 3.3Å; T236-K295 HydrophobicContact CG2-CB 4.11Å; T236-K295 HydrophobicContact CG2-CD 4.2Å; T236-K295 HydrophobicContact CG2-CG 3.97Å |
| 237 | V | 92.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.1 | 165.3 | 68.5 | 0 | 0 | 0 | 0 | 109 | L205 F207 Q239 L245 V247 N294 A321 | L205-V237 HydrophobicContact CB-CG2 4.22Å; L205-V237 HydrophobicContact CD1-CG2 3.98Å; L205-V237 HydrophobicContact CD2-CG2 4.13Å; L205-V237 HydrophobicContact CG-CG2 4.37Å; F207-V237 HydrophobicContact CD1-CB 4.1Å; F207-V237 HydrophobicContact CD1-CG2 4.02Å; F207-V237 HydrophobicContact CE1-CB 4.19Å; F207-V237 HydrophobicContact CE1-CG2 3.93Å; F207-V237 HydrophobicContact CZ-CG2 4.41Å; V237-Q239 PolarHBondContact O-N 2.89Å; V237-Q239 VanDerWaalsContact O-N 3.09Å; V237-L245 HydrophobicContact CG1-CB 4.06Å; V237-L245 HydrophobicContact CG1-CD1 4.31Å; V237-L245 HydrophobicContact CG2-CD1 4.25Å; V237-V247 HydrophobicContact CB-CB 4.33Å; V237-V247 HydrophobicContact CB-CG2 4.17Å; V237-V247 HydrophobicContact CG1-CB 3.97Å; V237-V247 HydrophobicContact CG1-CG2 4.36Å; V237-N294 HydrophobicContact CG1-CB 3.9Å; V237-N294 PolarHBondContact N-O 2.84Å; V237-A321 HydrophobicContact CG2-CB 4.29Å |
| 238 | K | 86.6 | Confident | 89.3 | Confident | 92 Ų | 92 | 43.9 Ų | 43.9 | 40% | 0.4 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 95.4 | 179.7 | -64.5 | -176 | -174.3 | 173.1 | 0 | 109.8 | Y206 Y240 | Y206-K238 PolarHBondContact O-N 3.47Å; K238-Y240 VanDerWaalsContact C-N 3.27Å; K238-Y240 HydrophobicContact CB-CD2 3.91Å; K238-Y240 HydrophobicContact CB-CE2 3.46Å; K238-Y240 VanDerWaalsContact CB-CE2 3.46Å; K238-Y240 HydrophobicContact CD-CE2 4.17Å; K238-Y240 HydrophobicContact CG-CE2 4.46Å; K238-Y240 WeakPolarHBondContact O-CD2 3.15Å; K238-Y240 PolarHBondContact O-N 2.77Å |
| 239 | Q | 75.4 | Confident | 89.8 | Confident | 69 Ų | 69 | 41.8 Ų | 41.8 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | trans | -73.1 | -5.3 | -174.7 | 69.9 | -174.8 | 46.9 | 0 | 0 | 115.9 | V237 F241 H242 N294 | V237-Q239 PolarHBondContact O-N 2.89Å; V237-Q239 VanDerWaalsContact O-N 3.09Å; Q239-F241 PolarHBondContact O-N 2.98Å; Q239-H242 VanDerWaalsContact O-CB 3.26Å; Q239-H242 WeakPolarHBondContact O-CB 3.21Å; Q239-H242 PolarHBondContact O-CD2 3.05Å; Q239-H242 PolarHBondContact O-N 3.39Å; Q239-N294 VanDerWaalsContact OE1-CB 3.28Å | ||
| 240 | Y | 74.1 | Confident | 89.9 | Confident | 143 Ų | 143 | 40.3 Ų | 40.3 | 56% | 0.561 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 30.7 | -102.2 | 178.9 | -67 | -75.9 | 0 | 0 | 0 | 115.8 | Y206 K238 | Y206-Y240 AromaticContact CD2-CE2 3.84Å; Y206-Y240 HydrophobicContact CD2-CE2 3.84Å; K238-Y240 VanDerWaalsContact C-N 3.27Å; K238-Y240 HydrophobicContact CB-CD2 3.91Å; K238-Y240 HydrophobicContact CB-CE2 3.46Å; K238-Y240 VanDerWaalsContact CB-CE2 3.46Å; K238-Y240 HydrophobicContact CD-CE2 4.17Å; K238-Y240 HydrophobicContact CG-CE2 4.46Å; K238-Y240 WeakPolarHBondContact O-CD2 3.15Å; K238-Y240 PolarHBondContact O-N 2.77Å |
| 241 | F | 69.1 | Low | 89.9 | Confident | 204 Ų | 204 | 43.1 Ų | 43.1 | 90% | 0.895 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 20.1 | 177.6 | -60.8 | -73.6 | 0 | 0 | 0 | 113.3 | Q239 | Q239-F241 PolarHBondContact O-N 2.98Š|
| 242 | H | 71.8 | Confident | 90 | Very high | 31 Ų | 31 | 43.1 Ų | 43.1 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -83.2 | 169.1 | -179.4 | -56.2 | -128.8 | 0 | 0 | 0 | 110.4 | A201 L205 Q239 | A201-H242 VanDerWaalsContact C-CE1 3.45Å; A201-H242 WeakPolarHBondContact CA-CE1 3.01Å; A201-H242 HydrophobicContact CB-CB 4.45Å; A201-H242 PolarHBondContact O-CE1 3.15Å; A201-H242 PolarHBondContact O-ND1 3.45Å; L205-H242 WeakPolarHBondContact CD2-CE1 3.01Å; L205-H242 WeakPolarHBondContact CD2-ND1 3.36Å; Q239-H242 VanDerWaalsContact O-CB 3.26Å; Q239-H242 WeakPolarHBondContact O-CB 3.21Å; Q239-H242 PolarHBondContact O-CD2 3.05Å; Q239-H242 PolarHBondContact O-N 3.39Å |
| 243 | V | 83.4 | Confident | 89.9 | Confident | 83 Ų | 83 | 42.9 Ų | 42.9 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -58.9 | 154.7 | 165 | -64.2 | 0 | 0 | 0 | 0 | 110.6 | L245 T323 | V243-L245 HydrophobicContact CG2-CD2 4.04Å; V243-L245 WeakPolarHBondContact O-CD2 3.4Å; V243-L245 WeakPolarHBondContact O-CG 3.4Å; V243-L245 PolarHBondContact O-N 2.91Å; V243-T323 HydrophobicContact CG2-CG2 3.79Å |
| 244 | P | 89.6 | Confident | 89.8 | Confident | 78 Ų | 78 | 42.9 Ų | 42.9 | 51% | 0.506 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 129 | 177.5 | -24 | 34.5 | 0 | 0 | 0 | 111.5 | T324 | P244-T324 HydrophobicContact CB-CG2 4.05Å; P244-T324 PolarHBondContact O-N 2.94Å; P244-T324 PolarHBondContact O-OG1 2.82Å |
| 245 | L | 91.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 145.8 | -175.6 | -57.9 | -177 | 0 | 0 | 0 | 111.6 | L205 V237 V243 E293 N294 A321 T322 W409 | L205-L245 HydrophobicContact CD1-CD1 3.35Å; L205-L245 HydrophobicContact CD2-CD1 3.74Å; L205-L245 HydrophobicContact CG-CD1 4.21Å; V237-L245 HydrophobicContact CG1-CB 4.06Å; V237-L245 HydrophobicContact CG1-CD1 4.31Å; V237-L245 HydrophobicContact CG2-CD1 4.25Å; V243-L245 HydrophobicContact CG2-CD2 4.04Å; V243-L245 WeakPolarHBondContact O-CD2 3.4Å; V243-L245 WeakPolarHBondContact O-CG 3.4Å; V243-L245 PolarHBondContact O-N 2.91Å; L245-E293 CarbonylContact O-C 3.56Å; L245-E293 VanDerWaalsContact O-C 3.3Å; L245-E293 WeakPolarHBondContact O-CB 3.4Å; L245-N294 WeakPolarHBondContact O-CA 3.31Å; L245-N294 PolarHBondContact O-N 2.8Å; L245-A321 HydrophobicContact CD1-CB 4.37Å; L245-T322 CarbonylContact C-O 3.48Å; L245-T322 VanDerWaalsContact CA-O 3.24Å; L245-T322 WeakPolarHBondContact CA-O 3.45Å; L245-W409 HydrophobicContact CD2-CE3 4.25Å; L245-W409 HydrophobicContact CD2-CH2 3.91Å; L245-W409 HydrophobicContact CD2-CZ3 3.52Å |
| 246 | R | 94.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.7 | 165.1 | -164 | 174.3 | -53.6 | 101.5 | 5.8 | 109.4 | Y248 E293 A321 T322 T324 H326 | R246-Y248 HydrophobicContact CB-CE2 4.13Å; R246-Y248 WeakPolarHBondContact CD-OH 3.44Å; R246-Y248 HydrophobicContact CG-CE1 4.11Å; R246-Y248 HydrophobicContact CG-CE2 4.27Å; R246-Y248 PolarHBondContact NH1-OH 3Å; R246-Y248 VanDerWaalsContact NH1-OH 3.09Å; R246-E293 VanDerWaalsContact CA-O 3.3Å; R246-E293 WeakPolarHBondContact CA-O 3.12Å; R246-E293 HydrophobicContact CB-CB 4.46Å; R246-E293 VanDerWaalsContact CD-OE2 3.32Å; R246-E293 WeakPolarHBondContact CD-OE2 3.43Å; R246-E293 HydrophobicContact CG-CB 4.46Å; R246-E293 WeakPolarHBondContact CG-OE2 3.17Å; R246-E293 IonicContact CZ-OE1 3.42Å; R246-E293 VanDerWaalsContact CZ-OE1 3.3Å; R246-E293 IonicContact CZ-OE2 3.71Å; R246-E293 IonicContact NE-OE1 3.65Å; R246-E293 PolarHBondContact NE-OE1 2.88Å; R246-E293 IonicContact NE-OE2 3.78Å; R246-E293 PolarHBondContact NE-OE2 2.86Å; R246-E293 IonicContact NH2-OE1 3.75Å; R246-E293 PolarHBondContact NH2-OE1 2.8Å; R246-E293 IonicContact NH2-OE2 3.91Å; R246-A321 WeakPolarHBondContact O-CA 3.3Å; R246-T322 PolarHBondContact N-O 2.79Å; R246-T322 PolarHBondContact O-N 2.86Å; R246-T322 VanDerWaalsContact O-N 3.11Å; R246-T324 HydrophobicContact CB-CG2 4.32Å; R246-T324 PolarHBondContact NH2-O 3.07Å; R246-H326 PolarHBondContact NH1-O 3.45Å |
| 247 | V | 96 | Very high | 89 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 140.5 | 177.4 | 74.7 | 0 | 0 | 0 | 0 | 111.3 | F207 V235 V237 R290 E293 N294 K295 L296 | F207-V247 HydrophobicContact CD1-CG2 4.24Å; F207-V247 HydrophobicContact CE1-CG2 4.17Å; V235-V247 HydrophobicContact CG1-CG2 4.1Å; V237-V247 HydrophobicContact CB-CB 4.33Å; V237-V247 HydrophobicContact CB-CG2 4.17Å; V237-V247 HydrophobicContact CG1-CB 3.97Å; V237-V247 HydrophobicContact CG1-CG2 4.36Å; V247-R290 PolarHBondContact O-NH1 3.42Å; V247-R290 PolarHBondContact O-NH2 2.94Å; V247-E293 PolarHBondContact N-O 2.67Å; V247-N294 VanDerWaalsContact CG1-C 3.49Å; V247-K295 VanDerWaalsContact CG1-C 3.42Å; V247-L296 HydrophobicContact CG1-CB 3.86Å |
| 248 | Y | 96.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 160.3 | 176.2 | -48.1 | -89.3 | 0 | 0 | 0 | 110.2 | R246 K320 T322 I328 H332 R333 | R246-Y248 HydrophobicContact CB-CE2 4.13Å; R246-Y248 WeakPolarHBondContact CD-OH 3.44Å; R246-Y248 HydrophobicContact CG-CE1 4.11Å; R246-Y248 HydrophobicContact CG-CE2 4.27Å; R246-Y248 PolarHBondContact NH1-OH 3Å; R246-Y248 VanDerWaalsContact NH1-OH 3.09Å; Y248-K320 PolarHBondContact N-O 2.72Å; Y248-K320 PolarHBondContact O-N 3.03Å; Y248-T322 HydrophobicContact CE2-CG2 3.95Å; Y248-T322 WeakPolarHBondContact CE2-OG1 3.38Å; Y248-I328 HydrophobicContact CE1-CG1 4.4Å; Y248-H332 HydrophobicContact CD2-CB 4.38Å; Y248-H332 HydrophobicContact CE1-CB 4.03Å; Y248-H332 VanDerWaalsContact CE1-O 3.29Å; Y248-H332 WeakPolarHBondContact CE1-O 3.42Å; Y248-H332 HydrophobicContact CE2-CB 3.87Å; Y248-R333 VanDerWaalsContact CD1-N 3.35Å |
| 249 | V | 97.3 | Very high | 89 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 106.1 | V235 C252 L269 G273 F287 L296 F298 C317 L319 | V235-V249 HydrophobicContact CB-CG2 4.39Å; V235-V249 HydrophobicContact CG1-CG2 4.41Å; V235-V249 HydrophobicContact CG2-CG2 3.83Å; V249-C252 WeakPolarHBondContact CG1-SG 3.07Å; V249-L269 HydrophobicContact CB-CD1 4.21Å; V249-L269 HydrophobicContact CB-CD2 4.45Å; V249-L269 HydrophobicContact CG1-CD1 3.65Å; V249-L269 HydrophobicContact CG1-CD2 3.83Å; V249-L269 HydrophobicContact CG1-CG 4.42Å; V249-G273 WeakPolarHBondContact O-CA 3.48Å; V249-G273 PolarHBondContact O-N 3.42Å; V249-F287 HydrophobicContact CB-CE1 4.47Å; V249-F287 HydrophobicContact CB-CZ 4.43Å; V249-F287 HydrophobicContact CG2-CE1 4.42Å; V249-L296 HydrophobicContact CG2-CD2 4.14Å; V249-F298 HydrophobicContact CG2-CE1 4.14Å; V249-C317 HydrophobicContact CG1-CB 4.18Å; V249-L319 HydrophobicContact CB-CD2 4.28Å; V249-L319 HydrophobicContact CG1-CD2 4.17Å; V249-L319 HydrophobicContact CG2-CD2 3.84Å |
| 250 | D | 95.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -53.3 | -172.1 | -177.9 | 27.8 | 0 | 0 | 0 | 111.2 | F272 G273 H318 K320 | D250-F272 PolarHBondContact O-N 2.74Å; D250-F272 WeakPolarHBondContact OD1-CA 3.17Å; D250-F272 WeakPolarHBondContact OD1-CD1 3.23Å; D250-G273 PolarHBondContact O-N 2.71Å; D250-H318 HydrophobicContact CB-CB 4.24Å; D250-H318 WeakPolarHBondContact CB-O 3.42Å; D250-H318 PolarHBondContact N-O 2.84Å; D250-H318 IonicContact OD2-CE1 3.87Å; D250-H318 IonicContact OD2-CG 3.72Å; D250-H318 IonicContact OD2-ND1 3.98Å; D250-H318 PolarHBondContact OD2-ND1 3.46Å; D250-K320 HydrophobicContact CB-CD 3.82Å; D250-K320 HydrophobicContact CB-CG 4.13Å; D250-K320 VanDerWaalsContact CG-CE 3.45Å; D250-K320 WeakPolarHBondContact OD2-CE 3.39Å |
| 251 | R | 95 | Very high | 90.5 | Very high | 97 Ų | 97 | 44.9 Ų | 44.9 | 37% | 0.366 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 149.7 | 175.3 | 53.3 | 177.7 | 166.9 | -73.2 | -13.5 | 109.4 | L269 C317 H318 | R251-L269 CarbonylContact C-O 3.56Å; R251-L269 VanDerWaalsContact CA-O 3.25Å; R251-L269 WeakPolarHBondContact CA-O 3.46Å; R251-C317 CarbonylContact O-C 3.55Å; R251-C317 VanDerWaalsContact O-CA 3.28Å; R251-C317 WeakPolarHBondContact O-CA 3.01Å; R251-H318 HydrophobicContact CG-CB 3.67Å; R251-H318 PolarHBondContact NH2-CD2 3.31Å; R251-H318 PolarHBondContact NH2-CE1 3.44Å; R251-H318 PolarHBondContact NH2-ND1 2.86Å; R251-H318 VanDerWaalsContact NH2-ND1 3.15Å; R251-H318 PolarHBondContact O-N 3.11Å |
| 252 | C | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.4 | 168 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | V249 A267 F268 L269 T316 C317 | V249-C252 WeakPolarHBondContact CG1-SG 3.07Å; C252-A267 WeakPolarHBondContact O-CA 3.37Å; C252-F268 HydrophobicContact CB-CD1 4.33Å; C252-F268 HydrophobicContact CB-CD2 4.19Å; C252-F268 HydrophobicContact CB-CE1 3.66Å; C252-F268 HydrophobicContact CB-CE2 3.47Å; C252-F268 VanDerWaalsContact CB-CE2 3.47Å; C252-F268 HydrophobicContact CB-CZ 3.18Å; C252-F268 PolarHBondContact O-N 3.14Å; C252-L269 HydrophobicContact CB-CB 4.08Å; C252-L269 PolarHBondContact N-O 3.18Å; C252-T316 WeakPolarHBondContact CA-O 3.43Å; C252-C317 HydrophobicContact CB-CB 4.09Å; C252-C317 WeakPolarHBondContact CB-SG 3.09Å; C252-C317 WeakPolarHBondContact SG-CB 3.24Å; C252-C317 CovalentContact SG-SG 2.03Å; C252-C317 PolarHBondContact SG-SG 2.99Å |
| 253 | V | 96 | Very high | 92.1 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.9 | 179.7 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | T255 Y265 Y266 A267 T316 | V253-T255 HydrophobicContact CG1-CG2 4.21Å; V253-Y265 HydrophobicContact CG1-CD2 3.87Å; V253-Y265 HydrophobicContact CG1-CG 4.13Å; V253-Y266 WeakPolarHBondContact CA-O 3.3Å; V253-A267 HydrophobicContact CG2-CB 4.32Å; V253-T316 PolarHBondContact N-O 2.76Å; V253-T316 PolarHBondContact O-N 2.94Å |
| 254 | A | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 144.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y265 Y266 F268 F303 F305 Y314 I315 | A254-Y265 CarbonylContact O-C 3.54Å; A254-Y265 WeakPolarHBondContact O-CA 3.36Å; A254-Y266 PolarHBondContact N-O 3.13Å; A254-Y266 PolarHBondContact O-N 2.98Å; A254-F268 HydrophobicContact CB-CD1 4.31Å; A254-F268 HydrophobicContact CB-CE1 4.29Å; A254-F303 HydrophobicContact CB-CE2 3.93Å; A254-F303 HydrophobicContact CB-CZ 3.55Å; A254-F305 HydrophobicContact CB-CZ 4.48Å; A254-F305 WeakPolarHBondContact O-CZ 3.47Å; A254-Y314 CarbonylContact C-O 3.52Å; A254-Y314 WeakPolarHBondContact CA-O 3.06Å; A254-I315 HydrophobicContact CB-CG1 4.31Å |
| 255 | T | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 165.9 | -174.3 | 45 | 0 | 0 | 0 | 0 | 111.3 | V253 S257 I313 Y314 | V253-T255 HydrophobicContact CG1-CG2 4.21Å; T255-S257 VanDerWaalsContact C-N 3.34Å; T255-S257 WeakPolarHBondContact CB-O 3.47Å; T255-S257 PolarHBondContact OG1-O 2.86Å; T255-I313 WeakPolarHBondContact O-CA 3.39Å; T255-Y314 PolarHBondContact N-O 3.39Å; T255-Y314 PolarHBondContact O-N 3.34Å |
| 256 | L | 90.6 | Very high | 92.3 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -83.4 | -7.1 | 171.9 | -69 | -174.6 | 0 | 0 | 0 | 114.2 | P264 F305 P308 L312 | L256-P264 HydrophobicContact CD1-CG 3.86Å; L256-P264 HydrophobicContact CG-CG 4.08Å; L256-F305 HydrophobicContact CD2-CB 4.14Å; L256-F305 HydrophobicContact CD2-CD2 3.55Å; L256-F305 HydrophobicContact CD2-CE2 4.35Å; L256-F305 HydrophobicContact CD2-CG 4.15Å; L256-F305 HydrophobicContact CG-CD2 3.97Å; L256-F305 HydrophobicContact CG-CG 4.38Å; L256-P308 HydrophobicContact CD1-CG 4.4Å; L256-L312 VanDerWaalsContact CD2-O 3.29Å; L256-L312 WeakPolarHBondContact CD2-O 3.43Å |
| 257 | S | 89.5 | Confident | 92.3 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -139.8 | 164.7 | 179.3 | 86.1 | 0 | 0 | 0 | 0 | 111.2 | T255 D259 S262 Y314 | T255-S257 VanDerWaalsContact C-N 3.34Å; T255-S257 WeakPolarHBondContact CB-O 3.47Å; T255-S257 PolarHBondContact OG1-O 2.86Å; S257-D259 PolarHBondContact O-N 3.42Å; S257-D259 VanDerWaalsContact O-N 3.1Å; S257-D259 PolarHBondContact OG-N 3.31Å; S257-S262 WeakPolarHBondContact OG-CB 3.45Å; S257-S262 PolarHBondContact OG-OG 2.9Å; S257-Y314 VanDerWaalsContact C-CD2 3.41Å |
| 258 | P | 89.7 | Confident | 92.2 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -59.7 | -18.7 | 177.1 | -22.6 | 32.7 | 0 | 0 | 0 | 114.8 | A260 Y314 | P258-A260 PolarHBondContact O-N 2.84Å; P258-Y314 HydrophobicContact CB-CD1 4.4Å; P258-Y314 HydrophobicContact CB-CE1 4.47Å; P258-Y314 HydrophobicContact CG-CD1 4.05Å; P258-Y314 HydrophobicContact CG-CE1 3.69Å; P258-Y314 HydrophobicContact CG-CE2 4.38Å |
| 259 | D | 89.8 | Confident | 92.2 | Very high | 82 Ų | 82 | 43 Ų | 43 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | trans | -75.7 | 112 | 174.6 | 171.2 | 14.9 | 0 | 0 | 0 | 110.4 | S257 T261 S262 | S257-D259 PolarHBondContact O-N 3.42Å; S257-D259 VanDerWaalsContact O-N 3.1Å; S257-D259 PolarHBondContact OG-N 3.31Å; D259-T261 PolarHBondContact O-N 2.86Å; D259-T261 WeakPolarHBondContact OD1-CA 3.26Å; D259-T261 WeakPolarHBondContact OD1-CB 3.12Å; D259-T261 PolarHBondContact OD1-N 2.85Å; D259-T261 PolarHBondContact OD1-OG1 2.72Å; D259-T261 PolarHBondContact OD2-OG1 3.03Å; D259-S262 VanDerWaalsContact O-CB 3.3Å; D259-S262 WeakPolarHBondContact O-CB 3.35Å; D259-S262 PolarHBondContact O-N 2.92Å; D259-S262 VanDerWaalsContact O-N 3.07Å; D259-S262 PolarHBondContact O-OG 2.03Å | ||
| 260 | A | 89.4 | Confident | 91.9 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P258 T316 | P258-A260 PolarHBondContact O-N 2.84Å; A260-T316 HydrophobicContact CB-CG2 3.88Å |
| 261 | T | 90.5 | Very high | 91.8 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 73% | 0.73 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4.6 | 175.9 | 72 | 0 | 0 | 0 | 0 | 113.2 | D259 | D259-T261 PolarHBondContact O-N 2.86Å; D259-T261 WeakPolarHBondContact OD1-CA 3.26Å; D259-T261 WeakPolarHBondContact OD1-CB 3.12Å; D259-T261 PolarHBondContact OD1-N 2.85Å; D259-T261 PolarHBondContact OD1-OG1 2.72Å; D259-T261 PolarHBondContact OD2-OG1 3.03Å |
| 262 | S | 88.6 | Confident | 91.7 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -68.9 | 149.3 | -179.7 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | S257 D259 P264 | S257-S262 WeakPolarHBondContact OG-CB 3.45Å; S257-S262 PolarHBondContact OG-OG 2.9Å; D259-S262 VanDerWaalsContact O-CB 3.3Å; D259-S262 WeakPolarHBondContact O-CB 3.35Å; D259-S262 PolarHBondContact O-N 2.92Å; D259-S262 VanDerWaalsContact O-N 3.07Å; D259-S262 PolarHBondContact O-OG 2.03Å; S262-P264 CarbonylContact O-C 3.56Å |
| 263 | S | 85.5 | Confident | 91.6 | Very high | 110 Ų | 110 | 47.2 Ų | 47.2 | 77% | 0.769 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -105.4 | 138.2 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 264 | P | 89 | Confident | 91.6 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 31% | 0.312 | 26% | 0.264 | S | S | . | . | S | Bend | cis | -75.3 | 152.3 | -2 | 33.8 | -36.2 | 0 | 0 | 0 | 112.6 | L256 S262 F305 | L256-P264 HydrophobicContact CD1-CG 3.86Å; L256-P264 HydrophobicContact CG-CG 4.08Å; S262-P264 CarbonylContact O-C 3.56Å; P264-F305 HydrophobicContact CB-CD1 3.78Å; P264-F305 HydrophobicContact CB-CE1 3.92Å; P264-F305 HydrophobicContact CG-CB 4.29Å; P264-F305 HydrophobicContact CG-CD1 3.64Å; P264-F305 HydrophobicContact CG-CE1 4.11Å; P264-F305 HydrophobicContact CG-CG 3.94Å |
| 265 | Y | 89.5 | Confident | 91.6 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 158.3 | 170.8 | 70.7 | -96.3 | 0 | 0 | 0 | 111.3 | V253 A254 | V253-Y265 HydrophobicContact CG1-CD2 3.87Å; V253-Y265 HydrophobicContact CG1-CG 4.13Å; A254-Y265 CarbonylContact O-C 3.54Å; A254-Y265 WeakPolarHBondContact O-CA 3.36Å |
| 266 | Y | 91.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 112.2 | 174.5 | 178.4 | -123.2 | 0 | 0 | 0 | 110.1 | V253 A254 F268 D277 F303 | V253-Y266 WeakPolarHBondContact CA-O 3.3Å; A254-Y266 PolarHBondContact N-O 3.13Å; A254-Y266 PolarHBondContact O-N 2.98Å; Y266-F268 HydrophobicContact CD1-CB 4.05Å; Y266-F268 HydrophobicContact CE1-CB 3.68Å; Y266-F268 PolarHBondContact O-N 2.94Å; Y266-D277 PolarHBondContact OH-OD1 2.8Å; Y266-F303 AromaticContact CD1-CE1 3.98Å; Y266-F303 HydrophobicContact CD1-CE1 3.98Å; Y266-F303 AromaticContact CD1-CE2 3.93Å; Y266-F303 HydrophobicContact CD1-CE2 3.93Å; Y266-F303 AromaticContact CD1-CZ 3.65Å; Y266-F303 HydrophobicContact CD1-CZ 3.65Å; Y266-F303 HydrophobicContact CE1-CE1 4.16Å; Y266-F303 HydrophobicContact CE1-CZ 4.29Å |
| 267 | A | 93.4 | Very high | 91.7 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 22% | 0.223 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 111 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | C252 V253 | C252-A267 WeakPolarHBondContact O-CA 3.37Å; V253-A267 HydrophobicContact CG2-CB 4.32Å |
| 268 | F | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -11.8 | -178.3 | 64.1 | -101.5 | 0 | 0 | 0 | 112.6 | C252 A254 Y266 I276 D277 F298 L300 I315 | C252-F268 HydrophobicContact CB-CD1 4.33Å; C252-F268 HydrophobicContact CB-CD2 4.19Å; C252-F268 HydrophobicContact CB-CE1 3.66Å; C252-F268 HydrophobicContact CB-CE2 3.47Å; C252-F268 VanDerWaalsContact CB-CE2 3.47Å; C252-F268 HydrophobicContact CB-CZ 3.18Å; C252-F268 PolarHBondContact O-N 3.14Å; A254-F268 HydrophobicContact CB-CD1 4.31Å; A254-F268 HydrophobicContact CB-CE1 4.29Å; Y266-F268 HydrophobicContact CD1-CB 4.05Å; Y266-F268 HydrophobicContact CE1-CB 3.68Å; Y266-F268 PolarHBondContact O-N 2.94Å; F268-I276 WeakPolarHBondContact O-CG1 3.41Å; F268-I276 PolarHBondContact O-N 3.2Å; F268-D277 HydrophobicContact CB-CB 4.14Å; F268-D277 PolarHBondContact O-N 2.84Å; F268-F298 AromaticContact CE2-CE2 3.82Å; F268-F298 HydrophobicContact CE2-CE2 3.82Å; F268-F298 HydrophobicContact CE2-CZ 4.43Å; F268-F298 HydrophobicContact CZ-CE2 4.32Å; F268-L300 HydrophobicContact CB-CD1 4.19Å; F268-L300 HydrophobicContact CD1-CD1 4.47Å; F268-L300 HydrophobicContact CD1-CD2 4.2Å; F268-L300 HydrophobicContact CD2-CD1 3.63Å; F268-L300 HydrophobicContact CD2-CD2 4.2Å; F268-L300 HydrophobicContact CE1-CD2 3.86Å; F268-L300 HydrophobicContact CE2-CD1 4.04Å; F268-L300 HydrophobicContact CE2-CD2 3.88Å; F268-L300 HydrophobicContact CG-CD1 3.87Å; F268-L300 HydrophobicContact CG-CD2 4.35Å; F268-L300 HydrophobicContact CZ-CD2 3.67Å; F268-I315 HydrophobicContact CE1-CG1 4.36Å; F268-I315 HydrophobicContact CE1-CG2 3.85Å; F268-I315 HydrophobicContact CZ-CG2 3.69Å |
| 269 | L | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 126.8 | 178.7 | -175.1 | 169.5 | 0 | 0 | 0 | 107 | V249 R251 C252 C274 L275 F287 | V249-L269 HydrophobicContact CB-CD1 4.21Å; V249-L269 HydrophobicContact CB-CD2 4.45Å; V249-L269 HydrophobicContact CG1-CD1 3.65Å; V249-L269 HydrophobicContact CG1-CD2 3.83Å; V249-L269 HydrophobicContact CG1-CG 4.42Å; R251-L269 CarbonylContact C-O 3.56Å; R251-L269 VanDerWaalsContact CA-O 3.25Å; R251-L269 WeakPolarHBondContact CA-O 3.46Å; C252-L269 HydrophobicContact CB-CB 4.08Å; C252-L269 PolarHBondContact N-O 3.18Å; L269-C274 WeakPolarHBondContact CA-O 3.43Å; L269-L275 HydrophobicContact CD1-CB 4.47Å; L269-L275 HydrophobicContact CD1-CD1 4.49Å; L269-L275 HydrophobicContact CD1-CG 4.45Å; L269-L275 HydrophobicContact CG-CB 4.32Å; L269-F287 HydrophobicContact CD1-CE1 4.41Å; L269-F287 HydrophobicContact CD1-CE2 4.25Å; L269-F287 HydrophobicContact CD1-CZ 3.68Å |
| 270 | D | 92.2 | Very high | 91.5 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | -172.1 | -174.4 | -164.1 | 8.3 | 0 | 0 | 0 | 110.6 | F272 C274 I276 | D270-F272 PolarHBondContact O-N 3.42Å; D270-C274 PolarHBondContact N-O 2.94Å; D270-C274 WeakPolarHBondContact O-CA 3.44Å; D270-C274 VanDerWaalsContact O-CB 3.25Å; D270-C274 WeakPolarHBondContact O-CB 3.29Å; D270-C274 PolarHBondContact O-N 3.32Å; D270-I276 HydrophobicContact CB-CD1 4.44Å |
| 271 | N | 92.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 45 Ų | 45 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 50.2 | 175.6 | -177.5 | 19.6 | 0 | 0 | 0 | 111.7 | C274 R333 S353 | N271-C274 HydrophobicContact CB-CB 4.35Å; N271-C274 PolarHBondContact O-SG 2.85Å; N271-R333 PolarHBondContact O-NH2 2.85Å; N271-R333 PolarHBondContact OD1-NH2 3.13Å; N271-S353 PolarHBondContact ND2-O 2.93Å |
| 272 | F | 94.4 | Very high | 91.1 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 63.9 | 179.3 | -46.9 | -81.7 | 0 | 0 | 0 | 112.2 | D250 D270 Q331 R333 | D250-F272 PolarHBondContact O-N 2.74Å; D250-F272 WeakPolarHBondContact OD1-CA 3.17Å; D250-F272 WeakPolarHBondContact OD1-CD1 3.23Å; D270-F272 PolarHBondContact O-N 3.42Å; F272-Q331 HydrophobicContact CD1-CB 4.28Å; F272-Q331 HydrophobicContact CD1-CG 4.27Å; F272-Q331 HydrophobicContact CD2-CG 4.35Å; F272-Q331 HydrophobicContact CE1-CG 4.47Å; F272-Q331 HydrophobicContact CG-CB 4.34Å; F272-Q331 HydrophobicContact CG-CG 4.22Å; F272-R333 WeakPolarHBondContact O-CG 3.34Å; F272-R333 PolarHBondContact O-NE 2.98Å |
| 273 | G | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 17 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | V249 D250 C335 | V249-G273 WeakPolarHBondContact O-CA 3.48Å; V249-G273 PolarHBondContact O-N 3.42Å; D250-G273 PolarHBondContact O-N 2.71Å; G273-C335 PolarHBondContact O-N 2.8Å |
| 274 | C | 95.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 108.3 | 169.8 | -52.1 | 0 | 0 | 0 | 0 | 110.2 | L269 D270 N271 I276 R333 W341 C354 | L269-C274 WeakPolarHBondContact CA-O 3.43Å; D270-C274 PolarHBondContact N-O 2.94Å; D270-C274 WeakPolarHBondContact O-CA 3.44Å; D270-C274 VanDerWaalsContact O-CB 3.25Å; D270-C274 WeakPolarHBondContact O-CB 3.29Å; D270-C274 PolarHBondContact O-N 3.32Å; N271-C274 HydrophobicContact CB-CB 4.35Å; N271-C274 PolarHBondContact O-SG 2.85Å; C274-I276 HydrophobicContact CB-CG2 4.33Å; C274-I276 PolarHBondContact O-N 2.03Å; C274-R333 PolarHBondContact SG-NH2 3.45Å; C274-R333 VanDerWaalsContact SG-NH2 3.45Å; C274-W341 HydrophobicContact CB-CH2 4.09Å; C274-W341 HydrophobicContact CB-CZ3 4.17Å; C274-C354 HydrophobicContact CB-CB 3.72Å; C274-C354 WeakPolarHBondContact CB-SG 3.49Å; C274-C354 WeakPolarHBondContact SG-CA 3.18Å; C274-C354 WeakPolarHBondContact SG-CB 3.43Å; C274-C354 CovalentContact SG-SG 2.03Å; C274-C354 PolarHBondContact SG-SG 2.87Å |
| 275 | L | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 102.7 | 172.6 | -162.4 | 161.9 | 0 | 0 | 0 | 108.8 | L269 D277 F287 F298 C335 | L269-L275 HydrophobicContact CD1-CB 4.47Å; L269-L275 HydrophobicContact CD1-CD1 4.49Å; L269-L275 HydrophobicContact CD1-CG 4.45Å; L269-L275 HydrophobicContact CG-CB 4.32Å; L275-D277 HydrophobicContact CD2-CB 3.97Å; L275-F287 HydrophobicContact CB-CD2 4.26Å; L275-F287 HydrophobicContact CB-CE2 3.96Å; L275-F287 HydrophobicContact CD1-CD2 4.31Å; L275-F287 HydrophobicContact CD1-CE2 4.38Å; L275-F298 HydrophobicContact CD1-CB 4.39Å; L275-F298 HydrophobicContact CD1-CD2 4.38Å; L275-C335 WeakPolarHBondContact CB-O 3.44Å; L275-C335 PolarHBondContact N-O 2.89Å |
| 276 | I | 93.4 | Very high | 92 | Very high | 24 Ų | 24 | 39 Ų | 39 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -92.6 | -17.7 | -169.9 | 53.8 | 173.3 | 0 | 0 | 0 | 114.1 | F268 D270 C274 A278 R279 I280 W341 | F268-I276 WeakPolarHBondContact O-CG1 3.41Å; F268-I276 PolarHBondContact O-N 3.2Å; D270-I276 HydrophobicContact CB-CD1 4.44Å; C274-I276 HydrophobicContact CB-CG2 4.33Å; C274-I276 PolarHBondContact O-N 2.03Å; I276-A278 PolarHBondContact O-N 3.01Å; I276-R279 WeakPolarHBondContact O-CB 3.14Å; I276-R279 PolarHBondContact O-N 3.2Å; I276-I280 HydrophobicContact CB-CD1 4.11Å; I276-I280 HydrophobicContact CD1-CD1 4.08Å; I276-I280 HydrophobicContact CG1-CD1 4.18Å; I276-I280 WeakPolarHBondContact O-CG1 3.35Å; I276-I280 PolarHBondContact O-N 2.73Å; I276-W341 HydrophobicContact CG2-CH2 4.16Å | ||
| 277 | D | 92.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -48.4 | -57.8 | -179.7 | -176.4 | 25 | 0 | 0 | 0 | 112.8 | Y266 F268 L275 R279 I280 T281 C283 S285 L300 | Y266-D277 PolarHBondContact OH-OD1 2.8Å; F268-D277 HydrophobicContact CB-CB 4.14Å; F268-D277 PolarHBondContact O-N 2.84Å; L275-D277 HydrophobicContact CD2-CB 3.97Å; D277-R279 PolarHBondContact O-N 3.03Å; D277-I280 PolarHBondContact O-N 3.11Å; D277-T281 PolarHBondContact O-N 3.28Å; D277-T281 PolarHBondContact O-OG1 3.09Å; D277-T281 WeakPolarHBondContact OD1-CG2 3.36Å; D277-T281 PolarHBondContact OD1-OG1 3.33Å; D277-C283 PolarHBondContact OD1-SG 2.87Å; D277-C283 PolarHBondContact OD2-SG 3.02Å; D277-S285 VanDerWaalsContact OD2-CB 3.27Å; D277-S285 WeakPolarHBondContact OD2-CB 3.42Å; D277-S285 PolarHBondContact OD2-OG 2.68Å; D277-L300 WeakPolarHBondContact OD2-CD1 3.45Å |
| 278 | A | 88.8 | Confident | 92.4 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -17.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | I276 C283 S285 | I276-A278 PolarHBondContact O-N 3.01Å; A278-C283 WeakPolarHBondContact CA-SG 3.46Å; A278-C283 WeakPolarHBondContact CB-O 3.49Å; A278-C283 PolarHBondContact N-SG 3.45Å; A278-S285 VanDerWaalsContact CB-O 3.3Å; A278-S285 WeakPolarHBondContact CB-O 3.49Å |
| 279 | R | 88.8 | Confident | 92.5 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 24% | 0.242 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -82.8 | -24.4 | 172 | -171.9 | 178.2 | -179.5 | -142.6 | 6.8 | 112.2 | I276 D277 Y337 C354 E355 | I276-R279 WeakPolarHBondContact O-CB 3.14Å; I276-R279 PolarHBondContact O-N 3.2Å; D277-R279 PolarHBondContact O-N 3.03Å; R279-Y337 HydrophobicContact CB-CD1 4.15Å; R279-Y337 HydrophobicContact CB-CD2 4.4Å; R279-Y337 HydrophobicContact CB-CG 3.97Å; R279-Y337 HydrophobicContact CG-CD1 4.43Å; R279-Y337 HydrophobicContact CG-CD2 4.23Å; R279-Y337 HydrophobicContact CG-CE2 4.37Å; R279-Y337 HydrophobicContact CG-CG 4.26Å; R279-C354 PolarHBondContact NH1-O 2.86Å; R279-E355 IonicContact CZ-OE1 3.53Å; R279-E355 IonicContact CZ-OE2 2.67Å; R279-E355 IonicContact NE-OE1 3.81Å; R279-E355 IonicContact NE-OE2 3.34Å; R279-E355 PolarHBondContact NH2-O 3.5Å; R279-E355 IonicContact NH2-OE1 2.76Å; R279-E355 PolarHBondContact NH2-OE1 2.9Å; R279-E355 IonicContact NH2-OE2 2.8Å; R279-E355 PolarHBondContact NH2-OE2 2.95Å |
| 280 | I | 87.4 | Confident | 92.5 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -100.7 | -49.2 | -174.5 | -62.1 | 167.6 | 0 | 0 | 0 | 111.5 | I276 D277 V359 | I276-I280 HydrophobicContact CB-CD1 4.11Å; I276-I280 HydrophobicContact CD1-CD1 4.08Å; I276-I280 HydrophobicContact CG1-CD1 4.18Å; I276-I280 WeakPolarHBondContact O-CG1 3.35Å; I276-I280 PolarHBondContact O-N 2.73Å; D277-I280 PolarHBondContact O-N 3.11Å; I280-V359 HydrophobicContact CD1-CG1 3.66Å; I280-V359 HydrophobicContact CG1-CG1 4.02Å |
| 281 | T | 85.3 | Confident | 92.5 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -13.3 | -172.6 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | D277 C283 | D277-T281 PolarHBondContact O-N 3.28Å; D277-T281 PolarHBondContact O-OG1 3.09Å; D277-T281 WeakPolarHBondContact OD1-CG2 3.36Å; D277-T281 PolarHBondContact OD1-OG1 3.33Å; T281-C283 PolarHBondContact O-N 3.41Å; T281-C283 WeakPolarHBondContact OG1-CB 3.39Å; T281-C283 PolarHBondContact OG1-SG 2.88Å |
| 282 | V | 85.4 | Confident | 92.5 | Very high | 129 Ų | 129 | 47.1 Ų | 47.1 | 78% | 0.782 | 26% | 0.255 | S | S | * | . | trans | 59.4 | 33.4 | -174.4 | -156.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 283 | C | 89 | Confident | 92.5 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | trans | -78.7 | 173.6 | 171.7 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | D277 A278 T281 S285 E301 | D277-C283 PolarHBondContact OD1-SG 2.87Å; D277-C283 PolarHBondContact OD2-SG 3.02Å; A278-C283 WeakPolarHBondContact CA-SG 3.46Å; A278-C283 WeakPolarHBondContact CB-O 3.49Å; A278-C283 PolarHBondContact N-SG 3.45Å; T281-C283 PolarHBondContact O-N 3.41Å; T281-C283 WeakPolarHBondContact OG1-CB 3.39Å; T281-C283 PolarHBondContact OG1-SG 2.88Å; C283-S285 VanDerWaalsContact C-N 3.29Å; C283-S285 PolarHBondContact O-N 3.01Å; C283-S285 WeakPolarHBondContact SG-CB 3.49Å; C283-S285 PolarHBondContact SG-OG 2.91Å; C283-E301 WeakPolarHBondContact CA-OE2 3.23Å; C283-E301 HydrophobicContact CB-CB 3.9Å; C283-E301 VanDerWaalsContact CB-OE2 3.24Å; C283-E301 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 284 | D | 90.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | trans | -88.9 | 18.6 | 177 | -158.8 | 48 | 0 | 0 | 0 | 113.7 | L230 R286 Q299 E301 | L230-D284 HydrophobicContact CD2-CB 4.41Å; D284-R286 VanDerWaalsContact CG-NH2 3.28Å; D284-R286 IonicContact OD1-CZ 3.39Å; D284-R286 VanDerWaalsContact OD1-CZ 3.3Å; D284-R286 IonicContact OD1-NH1 3.32Å; D284-R286 PolarHBondContact OD1-NH1 3.33Å; D284-R286 IonicContact OD1-NH2 3.79Å; D284-R286 PolarHBondContact OD1-NH2 3.23Å; D284-R286 IonicContact OD2-CZ 3.46Å; D284-R286 IonicContact OD2-NH1 3.8Å; D284-R286 IonicContact OD2-NH2 2.71Å; D284-R286 PolarHBondContact OD2-NH2 2.92Å; D284-Q299 PolarHBondContact O-NE2 2.85Å; D284-Q299 PolarHBondContact OD2-NE2 3.28Å; D284-E301 PolarHBondContact N-OE2 3.28Å | ||
| 285 | S | 95.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | trans | -68.8 | 127.4 | -178.8 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | D277 A278 C283 Q299 L300 E301 | D277-S285 VanDerWaalsContact OD2-CB 3.27Å; D277-S285 WeakPolarHBondContact OD2-CB 3.42Å; D277-S285 PolarHBondContact OD2-OG 2.68Å; A278-S285 VanDerWaalsContact CB-O 3.3Å; A278-S285 WeakPolarHBondContact CB-O 3.49Å; C283-S285 VanDerWaalsContact C-N 3.29Å; C283-S285 PolarHBondContact O-N 3.01Å; C283-S285 WeakPolarHBondContact SG-CB 3.49Å; C283-S285 PolarHBondContact SG-OG 2.91Å; S285-Q299 CarbonylContact C-O 3.55Å; S285-Q299 VanDerWaalsContact CA-O 3.23Å; S285-Q299 WeakPolarHBondContact CA-O 3.19Å; S285-L300 WeakPolarHBondContact OG-CA 3.41Å; S285-E301 PolarHBondContact OG-N 3.09Å | ||
| 286 | R | 96.1 | Very high | 92.6 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 26% | 0.26 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 156.9 | -178 | 55.8 | 174 | 163.7 | -98.6 | -14.9 | 113.1 | D284 F298 Q299 I338 | D284-R286 VanDerWaalsContact CG-NH2 3.28Å; D284-R286 IonicContact OD1-CZ 3.39Å; D284-R286 VanDerWaalsContact OD1-CZ 3.3Å; D284-R286 IonicContact OD1-NH1 3.32Å; D284-R286 PolarHBondContact OD1-NH1 3.33Å; D284-R286 IonicContact OD1-NH2 3.79Å; D284-R286 PolarHBondContact OD1-NH2 3.23Å; D284-R286 IonicContact OD2-CZ 3.46Å; D284-R286 IonicContact OD2-NH1 3.8Å; D284-R286 IonicContact OD2-NH2 2.71Å; D284-R286 PolarHBondContact OD2-NH2 2.92Å; R286-F298 CarbonylContact O-C 3.48Å; R286-F298 VanDerWaalsContact O-CA 3.31Å; R286-F298 WeakPolarHBondContact O-CA 3.46Å; R286-F298 WeakPolarHBondContact O-CB 3.36Å; R286-Q299 HydrophobicContact CG-CG 3.88Å; R286-Q299 PolarHBondContact N-O 2.67Å; R286-Q299 PolarHBondContact O-N 3.07Å; R286-I338 HydrophobicContact CB-CD1 4.38Å |
| 287 | F | 97.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 147.6 | 158.2 | -68.1 | -79.5 | 0 | 0 | 0 | 111 | V249 L269 L275 L296 Q297 F298 A334 S336 A344 | V249-F287 HydrophobicContact CB-CE1 4.47Å; V249-F287 HydrophobicContact CB-CZ 4.43Å; V249-F287 HydrophobicContact CG2-CE1 4.42Å; L269-F287 HydrophobicContact CD1-CE1 4.41Å; L269-F287 HydrophobicContact CD1-CE2 4.25Å; L269-F287 HydrophobicContact CD1-CZ 3.68Å; L275-F287 HydrophobicContact CB-CD2 4.26Å; L275-F287 HydrophobicContact CB-CE2 3.96Å; L275-F287 HydrophobicContact CD1-CD2 4.31Å; L275-F287 HydrophobicContact CD1-CE2 4.38Å; F287-L296 HydrophobicContact CD1-CD1 3.74Å; F287-L296 HydrophobicContact CD1-CD2 4.02Å; F287-L296 HydrophobicContact CD1-CG 3.81Å; F287-L296 HydrophobicContact CE1-CD1 4.21Å; F287-L296 HydrophobicContact CE1-CD2 3.6Å; F287-L296 HydrophobicContact CE1-CG 3.83Å; F287-L296 HydrophobicContact CZ-CD2 4.44Å; F287-Q297 WeakPolarHBondContact CA-O 3.31Å; F287-F298 HydrophobicContact CD1-CB 3.67Å; F287-F298 HydrophobicContact CD1-CD1 4.4Å; F287-F298 HydrophobicContact CD1-CG 4.39Å; F287-F298 HydrophobicContact CE1-CB 4.14Å; F287-F298 HydrophobicContact CE1-CD1 4.14Å; F287-F298 HydrophobicContact CE1-CG 4.38Å; F287-F298 HydrophobicContact CG-CB 4.2Å; F287-A334 HydrophobicContact CD1-CB 3.99Å; F287-A334 HydrophobicContact CD2-CB 4.05Å; F287-A334 HydrophobicContact CE1-CB 3.93Å; F287-A334 HydrophobicContact CE2-CB 3.97Å; F287-A334 HydrophobicContact CG-CB 4.04Å; F287-A334 HydrophobicContact CZ-CB 3.88Å; F287-S336 WeakPolarHBondContact CB-OG 3.42Å; F287-S336 WeakPolarHBondContact CD2-OG 3.27Å; F287-S336 PolarHBondContact N-OG 3.01Å; F287-A344 HydrophobicContact CB-CB 3.97Å |
| 288 | M | 96.5 | Very high | 93 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 159.8 | 165.9 | -56 | -57.7 | -67.1 | 0 | 0 | 109.6 | W216 R290 Q297 A344 | W216-M288 HydrophobicContact CH2-CG 3.93Å; W216-M288 HydrophobicContact CZ2-CE 4.48Å; W216-M288 HydrophobicContact CZ2-CG 3.45Å; W216-M288 VanDerWaalsContact CZ2-CG 3.45Å; W216-M288 HydrophobicContact CZ2-SD 3.78Å; M288-R290 PolarHBondContact O-N 3.07Å; M288-Q297 HydrophobicContact CB-CB 4Å; M288-Q297 HydrophobicContact CG-CB 3.97Å; M288-Q297 PolarHBondContact N-O 2.92Å; M288-A344 WeakPolarHBondContact O-CB 3.37Å |
| 289 | A | 95.6 | Very high | 93.4 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 133.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T291 A344 | A289-T291 PolarHBondContact O-N 3.04Å; A289-A344 CarbonylContact C-O 3.55Å; A289-A344 WeakPolarHBondContact CA-O 3.49Å |
| 290 | R | 95.6 | Very high | 93.8 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 14% | 0.143 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 119.6 | -175.4 | -172.6 | -176.1 | -65.6 | -92.2 | 13.2 | 110.8 | V247 M288 E292 E293 K295 A344 S345 | V247-R290 PolarHBondContact O-NH1 3.42Å; V247-R290 PolarHBondContact O-NH2 2.94Å; M288-R290 PolarHBondContact O-N 3.07Å; R290-E292 WeakPolarHBondContact CG-O 3.35Å; R290-E293 VanDerWaalsContact CD-OE2 3.28Å; R290-E293 WeakPolarHBondContact CD-OE2 3.18Å; R290-E293 PolarHBondContact NH1-O 2.74Å; R290-E293 VanDerWaalsContact NH1-O 3.13Å; R290-K295 PolarHBondContact NH1-O 2.66Å; R290-A344 PolarHBondContact N-O 3.07Å; R290-S345 PolarHBondContact NE-OG 3.07Å |
| 291 | T | 91.8 | Very high | 94.1 | Very high | 101 Ų | 101 | 46.2 Ų | 46.2 | 62% | 0.62 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -95.5 | -31.4 | 178.9 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | A289 | A289-T291 PolarHBondContact O-N 3.04Š|
| 292 | E | 93.9 | Very high | 94.5 | Very high | 93 Ų | 93 | 43 Ų | 43 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -140.2 | 148.4 | -178.9 | -75.4 | 151.5 | -127 | 0 | 0 | 108.4 | R290 K295 | R290-E292 WeakPolarHBondContact CG-O 3.35Å; E292-K295 HydrophobicContact CB-CB 4.1Å; E292-K295 WeakPolarHBondContact OE1-CE 3.25Å; E292-K295 IonicContact OE1-NZ 2.69Å; E292-K295 PolarHBondContact OE1-NZ 2.87Å; E292-K295 WeakPolarHBondContact OE2-CE 3.31Å; E292-K295 IonicContact OE2-NZ 2.73Å; E292-K295 PolarHBondContact OE2-NZ 2.97Å |
| 293 | E | 94.5 | Very high | 94.8 | Very high | 66 Ų | 66 | 38.9 Ų | 38.9 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -43.5 | -173.7 | -65.2 | -80.1 | -125.7 | 0 | 0 | 112.5 | L245 R246 V247 R290 K295 T324 | L245-E293 CarbonylContact O-C 3.56Å; L245-E293 VanDerWaalsContact O-C 3.3Å; L245-E293 WeakPolarHBondContact O-CB 3.4Å; R246-E293 VanDerWaalsContact CA-O 3.3Å; R246-E293 WeakPolarHBondContact CA-O 3.12Å; R246-E293 HydrophobicContact CB-CB 4.46Å; R246-E293 VanDerWaalsContact CD-OE2 3.32Å; R246-E293 WeakPolarHBondContact CD-OE2 3.43Å; R246-E293 HydrophobicContact CG-CB 4.46Å; R246-E293 WeakPolarHBondContact CG-OE2 3.17Å; R246-E293 IonicContact CZ-OE1 3.42Å; R246-E293 VanDerWaalsContact CZ-OE1 3.3Å; R246-E293 IonicContact CZ-OE2 3.71Å; R246-E293 IonicContact NE-OE1 3.65Å; R246-E293 PolarHBondContact NE-OE1 2.88Å; R246-E293 IonicContact NE-OE2 3.78Å; R246-E293 PolarHBondContact NE-OE2 2.86Å; R246-E293 IonicContact NH2-OE1 3.75Å; R246-E293 PolarHBondContact NH2-OE1 2.8Å; R246-E293 IonicContact NH2-OE2 3.91Å; V247-E293 PolarHBondContact N-O 2.67Å; R290-E293 VanDerWaalsContact CD-OE2 3.28Å; R290-E293 WeakPolarHBondContact CD-OE2 3.18Å; R290-E293 PolarHBondContact NH1-O 2.74Å; R290-E293 VanDerWaalsContact NH1-O 3.13Å; E293-K295 PolarHBondContact O-N 2.83Å; E293-K295 VanDerWaalsContact O-N 3.14Å; E293-T324 HydrophobicContact CB-CG2 3.61Å; E293-T324 HydrophobicContact CG-CG2 3.71Å |
| 294 | N | 94 | Very high | 94.8 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 9 | -179.4 | 67.3 | -62.9 | 0 | 0 | 0 | 113.6 | T236 V237 Q239 L245 V247 | T236-N294 WeakPolarHBondContact CA-O 3.3Å; V237-N294 HydrophobicContact CG1-CB 3.9Å; V237-N294 PolarHBondContact N-O 2.84Å; Q239-N294 VanDerWaalsContact OE1-CB 3.28Å; L245-N294 WeakPolarHBondContact O-CA 3.31Å; L245-N294 PolarHBondContact O-N 2.8Å; V247-N294 VanDerWaalsContact CG1-C 3.49Å |
| 295 | K | 95.4 | Very high | 94.7 | Very high | 30 Ų | 30 | 41 Ų | 41 | 13% | 0.13 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.7 | 178.3 | -179.5 | 166.2 | 59.1 | -161.9 | 0 | 110.7 | E234 V235 T236 V247 R290 E292 E293 Q297 | E234-K295 HydrophobicContact CG-CD 4.05Å; E234-K295 HydrophobicContact CG-CG 4.06Å; E234-K295 WeakPolarHBondContact OE2-CD 3.39Å; V235-K295 CarbonylContact O-C 3.59Å; V235-K295 VanDerWaalsContact O-CA 3.31Å; V235-K295 WeakPolarHBondContact O-CA 3.36Å; T236-K295 HydrophobicContact CG2-CB 4.11Å; T236-K295 HydrophobicContact CG2-CD 4.2Å; T236-K295 HydrophobicContact CG2-CG 3.97Å; V247-K295 VanDerWaalsContact CG1-C 3.42Å; R290-K295 PolarHBondContact NH1-O 2.66Å; E292-K295 HydrophobicContact CB-CB 4.1Å; E292-K295 WeakPolarHBondContact OE1-CE 3.25Å; E292-K295 IonicContact OE1-NZ 2.69Å; E292-K295 PolarHBondContact OE1-NZ 2.87Å; E292-K295 WeakPolarHBondContact OE2-CE 3.31Å; E292-K295 IonicContact OE2-NZ 2.73Å; E292-K295 PolarHBondContact OE2-NZ 2.97Å; E293-K295 PolarHBondContact O-N 2.83Å; E293-K295 VanDerWaalsContact O-N 3.14Å; K295-Q297 HydrophobicContact CG-CG 4.44Å |
| 296 | L | 97.3 | Very high | 94 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 132.3 | 171.6 | -176.1 | 54.6 | 0 | 0 | 0 | 109.1 | V235 V247 V249 F287 A334 A344 | V235-L296 PolarHBondContact N-O 3.18Å; V235-L296 PolarHBondContact O-N 2.86Å; V247-L296 HydrophobicContact CG1-CB 3.86Å; V249-L296 HydrophobicContact CG2-CD2 4.14Å; F287-L296 HydrophobicContact CD1-CD1 3.74Å; F287-L296 HydrophobicContact CD1-CD2 4.02Å; F287-L296 HydrophobicContact CD1-CG 3.81Å; F287-L296 HydrophobicContact CE1-CD1 4.21Å; F287-L296 HydrophobicContact CE1-CD2 3.6Å; F287-L296 HydrophobicContact CE1-CG 3.83Å; F287-L296 HydrophobicContact CZ-CD2 4.44Å; L296-A334 HydrophobicContact CD1-CB 3.98Å; L296-A334 HydrophobicContact CD2-CB 3.71Å; L296-A334 HydrophobicContact CG-CB 4.48Å; L296-A344 HydrophobicContact CD1-CB 4.14Å |
| 297 | Q | 97.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 51.8 Ų | 51.8 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.2 | -175.6 | -75.2 | 175.8 | -17.2 | 0 | 0 | 109.6 | W216 I233 E234 F287 M288 K295 | W216-Q297 HydrophobicContact CE3-CB 3.99Å; W216-Q297 VanDerWaalsContact CE3-CD 3.49Å; W216-Q297 HydrophobicContact CE3-CG 3.75Å; W216-Q297 HydrophobicContact CH2-CB 3.96Å; W216-Q297 HydrophobicContact CZ3-CB 3.6Å; W216-Q297 HydrophobicContact CZ3-CG 3.74Å; I233-Q297 WeakPolarHBondContact O-CA 3.49Å; E234-Q297 HydrophobicContact CB-CG 4.13Å; E234-Q297 HydrophobicContact CG-CG 4.06Å; E234-Q297 PolarHBondContact OE2-NE2 2.98Å; F287-Q297 WeakPolarHBondContact CA-O 3.31Å; M288-Q297 HydrophobicContact CB-CB 4Å; M288-Q297 HydrophobicContact CG-CB 3.97Å; M288-Q297 PolarHBondContact N-O 2.92Å; K295-Q297 HydrophobicContact CG-CG 4.44Å |
| 298 | F | 97.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 145.9 | 173.8 | 66.9 | -88.2 | 0 | 0 | 0 | 112.4 | W216 I233 V235 V249 F268 L275 R286 F287 | W216-F298 WeakPolarHBondContact CH2-O 3.28Å; I233-F298 HydrophobicContact CB-CD1 4.32Å; I233-F298 HydrophobicContact CB-CD2 4.33Å; I233-F298 HydrophobicContact CB-CE1 3.96Å; I233-F298 HydrophobicContact CB-CE2 3.97Å; I233-F298 HydrophobicContact CB-CZ 3.78Å; I233-F298 HydrophobicContact CD1-CD2 4.48Å; I233-F298 HydrophobicContact CD1-CE2 3.6Å; I233-F298 HydrophobicContact CD1-CZ 3.78Å; I233-F298 HydrophobicContact CG1-CE2 4.3Å; I233-F298 HydrophobicContact CG1-CZ 4.37Å; I233-F298 HydrophobicContact CG2-CD1 4.35Å; I233-F298 HydrophobicContact CG2-CE1 3.63Å; I233-F298 HydrophobicContact CG2-CE2 4.32Å; I233-F298 HydrophobicContact CG2-CZ 3.62Å; I233-F298 PolarHBondContact N-O 3.45Å; I233-F298 PolarHBondContact O-N 2.86Å; V235-F298 HydrophobicContact CG2-CD1 4.37Å; V235-F298 HydrophobicContact CG2-CE1 3.79Å; V249-F298 HydrophobicContact CG2-CE1 4.14Å; F268-F298 AromaticContact CE2-CE2 3.82Å; F268-F298 HydrophobicContact CE2-CE2 3.82Å; F268-F298 HydrophobicContact CE2-CZ 4.43Å; F268-F298 HydrophobicContact CZ-CE2 4.32Å; L275-F298 HydrophobicContact CD1-CB 4.39Å; L275-F298 HydrophobicContact CD1-CD2 4.38Å; R286-F298 CarbonylContact O-C 3.48Å; R286-F298 VanDerWaalsContact O-CA 3.31Å; R286-F298 WeakPolarHBondContact O-CA 3.46Å; R286-F298 WeakPolarHBondContact O-CB 3.36Å; F287-F298 HydrophobicContact CD1-CB 3.67Å; F287-F298 HydrophobicContact CD1-CD1 4.4Å; F287-F298 HydrophobicContact CD1-CG 4.39Å; F287-F298 HydrophobicContact CE1-CB 4.14Å; F287-F298 HydrophobicContact CE1-CD1 4.14Å; F287-F298 HydrophobicContact CE1-CG 4.38Å; F287-F298 HydrophobicContact CG-CB 4.2Å |
| 299 | Q | 96.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 140.1 | 172.3 | 58.8 | 176.5 | 46.4 | 0 | 0 | 110.3 | W216 I231 D284 S285 R286 | W216-Q299 HydrophobicContact CZ2-CB 4.5Å; I231-Q299 WeakPolarHBondContact O-CA 3.48Å; D284-Q299 PolarHBondContact O-NE2 2.85Å; D284-Q299 PolarHBondContact OD2-NE2 3.28Å; S285-Q299 CarbonylContact C-O 3.55Å; S285-Q299 VanDerWaalsContact CA-O 3.23Å; S285-Q299 WeakPolarHBondContact CA-O 3.19Å; R286-Q299 HydrophobicContact CG-CG 3.88Å; R286-Q299 PolarHBondContact N-O 2.67Å; R286-Q299 PolarHBondContact O-N 3.07Å |
| 300 | L | 96.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.2 | 179.4 | 177.4 | 68.4 | 0 | 0 | 0 | 108.4 | I231 F268 D277 S285 F303 I315 | I231-L300 WeakPolarHBondContact CA-O 3.25Å; I231-L300 HydrophobicContact CB-CB 4.4Å; I231-L300 WeakPolarHBondContact CB-O 3.48Å; I231-L300 PolarHBondContact N-O 2.97Å; I231-L300 PolarHBondContact O-N 2.77Å; F268-L300 HydrophobicContact CB-CD1 4.19Å; F268-L300 HydrophobicContact CD1-CD1 4.47Å; F268-L300 HydrophobicContact CD1-CD2 4.2Å; F268-L300 HydrophobicContact CD2-CD1 3.63Å; F268-L300 HydrophobicContact CD2-CD2 4.2Å; F268-L300 HydrophobicContact CE1-CD2 3.86Å; F268-L300 HydrophobicContact CE2-CD1 4.04Å; F268-L300 HydrophobicContact CE2-CD2 3.88Å; F268-L300 HydrophobicContact CG-CD1 3.87Å; F268-L300 HydrophobicContact CG-CD2 4.35Å; F268-L300 HydrophobicContact CZ-CD2 3.67Å; D277-L300 WeakPolarHBondContact OD2-CD1 3.45Å; S285-L300 WeakPolarHBondContact OG-CA 3.41Å; L300-F303 HydrophobicContact CD1-CE1 4.25Å; L300-F303 HydrophobicContact CD2-CE1 4.09Å; L300-F303 HydrophobicContact CG-CE1 4.27Å; L300-I315 HydrophobicContact CD2-CD1 3.76Å |
| 301 | E | 95.1 | Very high | 86.6 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 135.5 | 178 | -162.7 | 170.9 | 150.2 | 0 | 0 | 111.2 | L230 C283 D284 S285 F303 | L230-E301 HydrophobicContact CD2-CB 4.27Å; L230-E301 HydrophobicContact CD2-CG 4.48Å; C283-E301 WeakPolarHBondContact CA-OE2 3.23Å; C283-E301 HydrophobicContact CB-CB 3.9Å; C283-E301 VanDerWaalsContact CB-OE2 3.24Å; C283-E301 WeakPolarHBondContact CB-OE2 3.5Å; D284-E301 PolarHBondContact N-OE2 3.28Å; S285-E301 PolarHBondContact OG-N 3.09Å; E301-F303 WeakPolarHBondContact O-CD1 3.3Å; E301-F303 PolarHBondContact O-N 2.98Å |
| 302 | A | 93.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | trans | -72.8 | 110.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F226 L227 D229 I231 I420 | F226-A302 VanDerWaalsContact O-CB 3.31Å; F226-A302 WeakPolarHBondContact O-CB 3.31Å; L227-A302 WeakPolarHBondContact CD2-O 3.49Å; D229-A302 HydrophobicContact CB-CB 4.46Å; D229-A302 WeakPolarHBondContact O-CB 3.45Å; D229-A302 PolarHBondContact O-N 3.22Å; I231-A302 HydrophobicContact CD1-CB 4.05Å; I231-A302 HydrophobicContact CG1-CB 4Å; A302-I420 HydrophobicContact CB-CD1 4.24Å; A302-I420 HydrophobicContact CB-CG2 4.15Å | ||
| 303 | F | 91.9 | Very high | 86.5 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | trans | -109.9 | 168.4 | 175 | 61.3 | -95.3 | 0 | 0 | 0 | 112.2 | A254 Y266 L300 E301 F305 I313 I420 | A254-F303 HydrophobicContact CB-CE2 3.93Å; A254-F303 HydrophobicContact CB-CZ 3.55Å; Y266-F303 AromaticContact CD1-CE1 3.98Å; Y266-F303 HydrophobicContact CD1-CE1 3.98Å; Y266-F303 AromaticContact CD1-CE2 3.93Å; Y266-F303 HydrophobicContact CD1-CE2 3.93Å; Y266-F303 AromaticContact CD1-CZ 3.65Å; Y266-F303 HydrophobicContact CD1-CZ 3.65Å; Y266-F303 HydrophobicContact CE1-CE1 4.16Å; Y266-F303 HydrophobicContact CE1-CZ 4.29Å; L300-F303 HydrophobicContact CD1-CE1 4.25Å; L300-F303 HydrophobicContact CD2-CE1 4.09Å; L300-F303 HydrophobicContact CG-CE1 4.27Å; E301-F303 WeakPolarHBondContact O-CD1 3.3Å; E301-F303 PolarHBondContact O-N 2.98Å; F303-F305 HydrophobicContact CE2-CE2 4.46Å; F303-I313 HydrophobicContact CE2-CD1 4.38Å; F303-I313 HydrophobicContact CZ-CD1 4.24Å; F303-I420 WeakPolarHBondContact O-CD1 3.38Å | ||
| 304 | R | 89.4 | Confident | 86.4 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | trans | -135.8 | 148.7 | 170.7 | 72.3 | -177.6 | -170.7 | 80.4 | -12.8 | 111.8 | L227 E422 | L227-R304 HydrophobicContact CD2-CB 4.32Å; L227-R304 HydrophobicContact CD2-CG 4.13Å; R304-E422 IonicContact CZ-OE1 3.21Å; R304-E422 IonicContact NE-OE1 2.9Å; R304-E422 PolarHBondContact NE-OE1 3.23Å; R304-E422 IonicContact NH2-OE1 2.68Å; R304-E422 PolarHBondContact NH2-OE1 3.48Å | ||
| 305 | F | 88.5 | Confident | 86.6 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | trans | -67.7 | 151.3 | 172.2 | -69.2 | -80.6 | 0 | 0 | 0 | 111.7 | A254 L256 P264 F303 N307 I313 | A254-F305 HydrophobicContact CB-CZ 4.48Å; A254-F305 WeakPolarHBondContact O-CZ 3.47Å; L256-F305 HydrophobicContact CD2-CB 4.14Å; L256-F305 HydrophobicContact CD2-CD2 3.55Å; L256-F305 HydrophobicContact CD2-CE2 4.35Å; L256-F305 HydrophobicContact CD2-CG 4.15Å; L256-F305 HydrophobicContact CG-CD2 3.97Å; L256-F305 HydrophobicContact CG-CG 4.38Å; P264-F305 HydrophobicContact CB-CD1 3.78Å; P264-F305 HydrophobicContact CB-CE1 3.92Å; P264-F305 HydrophobicContact CG-CB 4.29Å; P264-F305 HydrophobicContact CG-CD1 3.64Å; P264-F305 HydrophobicContact CG-CE1 4.11Å; P264-F305 HydrophobicContact CG-CG 3.94Å; F303-F305 HydrophobicContact CE2-CE2 4.46Å; F305-N307 PolarHBondContact O-N 3.37Å; F305-I313 HydrophobicContact CD2-CG2 4.07Å; F305-I313 HydrophobicContact CE2-CG2 4.09Å | ||
| 306 | Q | 79.3 | Confident | 86.7 | Confident | 180 Ų | 180 | 48.4 Ų | 48.4 | 84% | 0.841 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -84.7 | 93.1 | 175.5 | -64.7 | -172.7 | 10.1 | 0 | 0 | 109.7 | ||
| 307 | N | 66.8 | Low | 86.7 | Confident | 115 Ų | 115 | 48.3 Ų | 48.3 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 73.2 | 148.6 | -172.1 | -41.5 | -77.6 | 0 | 0 | 0 | 113.5 | F305 | F305-N307 PolarHBondContact O-N 3.37Š|
| 308 | P | 57.8 | Low | 86.6 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 54% | 0.539 | 25% | 0.249 | S | C | . | . | S | Bend | cis | -80 | 177 | -5.6 | -8.3 | 27.8 | 0 | 0 | 0 | 113.6 | L256 S310 | L256-P308 HydrophobicContact CD1-CG 4.4Å; P308-S310 PolarHBondContact O-N 2.92Å |
| 309 | D | 57 | Low | 86.5 | Confident | 163 Ų | 163 | 47.9 Ų | 47.9 | 87% | 0.872 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 17 | -172.7 | -51.3 | -73.8 | 0 | 0 | 0 | 116.7 | G311 | D309-G311 VanDerWaalsContact C-N 3.35Å; D309-G311 PolarHBondContact O-N 3.42Å |
| 310 | S | 66.7 | Low | 86.5 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -35.8 | -177.8 | 67.5 | 0 | 0 | 0 | 0 | 112.7 | P308 L312 | P308-S310 PolarHBondContact O-N 2.92Å; S310-L312 PolarHBondContact O-N 2.89Å; S310-L312 VanDerWaalsContact O-N 3.13Å; S310-L312 PolarHBondContact OG-N 2.96Å |
| 311 | G | 78.4 | Confident | 86.3 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 24% | 0.237 | 25% | 0.25 | C | C | . | . | trans | 61.4 | 9.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D309 I420 | D309-G311 VanDerWaalsContact C-N 3.35Å; D309-G311 PolarHBondContact O-N 3.42Å; G311-I420 PolarHBondContact O-N 2.79Å | ||
| 312 | L | 89.1 | Confident | 86.2 | Confident | 57 Ų | 57 | 45 Ų | 45 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134.3 | -177.9 | -55.5 | -179 | 0 | 0 | 0 | 110 | L256 S310 P417 I418 P419 | L256-L312 VanDerWaalsContact CD2-O 3.29Å; L256-L312 WeakPolarHBondContact CD2-O 3.43Å; S310-L312 PolarHBondContact O-N 2.89Å; S310-L312 VanDerWaalsContact O-N 3.13Å; S310-L312 PolarHBondContact OG-N 2.96Å; L312-P417 HydrophobicContact CB-CB 4.46Å; L312-P417 HydrophobicContact CD1-CB 4.16Å; L312-P417 HydrophobicContact CD2-CB 4.32Å; L312-I418 WeakPolarHBondContact CA-O 3.38Å; L312-P419 HydrophobicContact CD2-CB 3.7Å; L312-P419 HydrophobicContact CD2-CG 4.39Å |
| 313 | I | 93.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 153.1 | 160.9 | 70.3 | 170.6 | 0 | 0 | 0 | 111.1 | I231 T255 F303 F305 I315 I418 I420 | I231-I313 HydrophobicContact CD1-CD1 4.43Å; T255-I313 WeakPolarHBondContact O-CA 3.39Å; F303-I313 HydrophobicContact CE2-CD1 4.38Å; F303-I313 HydrophobicContact CZ-CD1 4.24Å; F305-I313 HydrophobicContact CD2-CG2 4.07Å; F305-I313 HydrophobicContact CE2-CG2 4.09Å; I313-I315 HydrophobicContact CD1-CD1 4.03Å; I313-I315 HydrophobicContact CD1-CG1 4.02Å; I313-I418 HydrophobicContact CG1-CB 3.95Å; I313-I418 HydrophobicContact CG1-CG2 4.47Å; I313-I418 PolarHBondContact N-O 2.9Å; I313-I418 PolarHBondContact O-N 2.93Å; I313-I420 HydrophobicContact CD1-CD1 3.5Å; I313-I420 HydrophobicContact CG1-CD1 3.73Å; I313-I420 HydrophobicContact CG2-CD1 4.4Å |
| 314 | Y | 94.3 | Very high | 86 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 152.8 | 157.8 | -65.6 | -96.4 | 0 | 0 | 0 | 107.9 | A254 T255 S257 P258 T414 L415 P417 | A254-Y314 CarbonylContact C-O 3.52Å; A254-Y314 WeakPolarHBondContact CA-O 3.06Å; T255-Y314 PolarHBondContact N-O 3.39Å; T255-Y314 PolarHBondContact O-N 3.34Å; S257-Y314 VanDerWaalsContact C-CD2 3.41Å; P258-Y314 HydrophobicContact CB-CD1 4.4Å; P258-Y314 HydrophobicContact CB-CE1 4.47Å; P258-Y314 HydrophobicContact CG-CD1 4.05Å; P258-Y314 HydrophobicContact CG-CE1 3.69Å; P258-Y314 HydrophobicContact CG-CE2 4.38Å; Y314-T414 HydrophobicContact CD1-CG2 4.2Å; Y314-L415 CarbonylContact C-O 3.3Å; Y314-L415 VanDerWaalsContact CA-O 3.3Å; Y314-L415 WeakPolarHBondContact CA-O 3.29Å; Y314-P417 HydrophobicContact CE1-CB 4.09Å; Y314-P417 HydrophobicContact CE2-CB 4.2Å |
| 315 | I | 96.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 113.6 | 175.2 | -65.9 | 173.8 | 0 | 0 | 0 | 107.1 | M209 I233 A254 F268 L300 I313 T414 L415 I418 | M209-I315 HydrophobicContact CE-CG2 4.41Å; I233-I315 HydrophobicContact CD1-CD1 3.93Å; A254-I315 HydrophobicContact CB-CG1 4.31Å; F268-I315 HydrophobicContact CE1-CG1 4.36Å; F268-I315 HydrophobicContact CE1-CG2 3.85Å; F268-I315 HydrophobicContact CZ-CG2 3.69Å; L300-I315 HydrophobicContact CD2-CD1 3.76Å; I313-I315 HydrophobicContact CD1-CD1 4.03Å; I313-I315 HydrophobicContact CD1-CG1 4.02Å; I315-T414 CarbonylContact O-C 3.34Å; I315-T414 WeakPolarHBondContact O-CA 3.26Å; I315-L415 PolarHBondContact N-O 2.68Å; I315-L415 PolarHBondContact O-N 3.39Å; I315-I418 HydrophobicContact CD1-CD1 3.93Å; I315-I418 HydrophobicContact CG1-CD1 4.35Å |
| 316 | T | 97.3 | Very high | 86 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.6 | 171.8 | -58.3 | 0 | 0 | 0 | 0 | 109.2 | C252 V253 A260 D412 V413 T414 | C252-T316 WeakPolarHBondContact CA-O 3.43Å; V253-T316 PolarHBondContact N-O 2.76Å; V253-T316 PolarHBondContact O-N 2.94Å; A260-T316 HydrophobicContact CB-CG2 3.88Å; T316-D412 HydrophobicContact CG2-CB 4.27Å; T316-V413 WeakPolarHBondContact CA-O 3.5Å; T316-T414 WeakPolarHBondContact OG1-CB 3.43Å; T316-T414 WeakPolarHBondContact OG1-CG2 3.46Å; T316-T414 PolarHBondContact OG1-OG1 2.9Å |
| 317 | C | 97.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.9 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | M209 V249 R251 C252 L319 D412 V413 | M209-C317 HydrophobicContact CE-CB 3.99Å; M209-C317 WeakPolarHBondContact CE-SG 3.4Å; M209-C317 HydrophobicContact SD-CB 3.78Å; V249-C317 HydrophobicContact CG1-CB 4.18Å; R251-C317 CarbonylContact O-C 3.55Å; R251-C317 VanDerWaalsContact O-CA 3.28Å; R251-C317 WeakPolarHBondContact O-CA 3.01Å; C252-C317 HydrophobicContact CB-CB 4.09Å; C252-C317 WeakPolarHBondContact CB-SG 3.09Å; C252-C317 WeakPolarHBondContact SG-CB 3.24Å; C252-C317 CovalentContact SG-SG 2.03Å; C252-C317 PolarHBondContact SG-SG 2.99Å; C317-L319 HydrophobicContact CB-CD2 3.81Å; C317-L319 HydrophobicContact CB-CG 4.46Å; C317-D412 WeakPolarHBondContact O-CA 3.25Å; C317-V413 PolarHBondContact N-O 3.19Å; C317-V413 PolarHBondContact O-N 3.15Å |
| 318 | H | 96.3 | Very high | 88 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 6% | 0.06 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 122.3 | 165.9 | -171.5 | -113.7 | 0 | 0 | 0 | 108.1 | D250 R251 E410 D412 | D250-H318 HydrophobicContact CB-CB 4.24Å; D250-H318 WeakPolarHBondContact CB-O 3.42Å; D250-H318 PolarHBondContact N-O 2.84Å; D250-H318 IonicContact OD2-CE1 3.87Å; D250-H318 IonicContact OD2-CG 3.72Å; D250-H318 IonicContact OD2-ND1 3.98Å; D250-H318 PolarHBondContact OD2-ND1 3.46Å; R251-H318 HydrophobicContact CG-CB 3.67Å; R251-H318 PolarHBondContact NH2-CD2 3.31Å; R251-H318 PolarHBondContact NH2-CE1 3.44Å; R251-H318 PolarHBondContact NH2-ND1 2.86Å; R251-H318 VanDerWaalsContact NH2-ND1 3.15Å; R251-H318 PolarHBondContact O-N 3.11Å; H318-E410 IonicContact CE1-OE1 3.64Å; H318-E410 PolarHBondContact CE1-OE1 3.12Å; H318-D412 WeakPolarHBondContact CA-OD1 3.28Å; H318-D412 WeakPolarHBondContact CB-OD1 3.3Å; H318-D412 IonicContact CD2-OD1 2.77Å; H318-D412 PolarHBondContact CD2-OD1 3.23Å; H318-D412 IonicContact CD2-OD2 2.96Å; H318-D412 IonicContact CG-OD1 2.67Å |
| 319 | L | 96 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.8 | -173.8 | -55 | -180 | 0 | 0 | 0 | 110 | F207 M209 V235 V249 C317 E410 G411 V413 | F207-L319 HydrophobicContact CB-CD1 3.8Å; F207-L319 HydrophobicContact CD1-CB 3.68Å; F207-L319 HydrophobicContact CD1-CD1 4.12Å; F207-L319 HydrophobicContact CE1-CB 3.95Å; F207-L319 HydrophobicContact CG-CB 4.09Å; F207-L319 HydrophobicContact CG-CD1 4.19Å; M209-L319 HydrophobicContact CG-CD1 3.95Å; M209-L319 HydrophobicContact SD-CD1 4.34Å; V235-L319 HydrophobicContact CG1-CD1 3.66Å; V235-L319 HydrophobicContact CG1-CD2 3.75Å; V235-L319 HydrophobicContact CG1-CG 4.28Å; V249-L319 HydrophobicContact CB-CD2 4.28Å; V249-L319 HydrophobicContact CG1-CD2 4.17Å; V249-L319 HydrophobicContact CG2-CD2 3.84Å; C317-L319 HydrophobicContact CB-CD2 3.81Å; C317-L319 HydrophobicContact CB-CG 4.46Å; L319-E410 CarbonylContact O-C 3.56Å; L319-E410 VanDerWaalsContact O-CA 3.31Å; L319-E410 WeakPolarHBondContact O-CA 3.35Å; L319-G411 WeakPolarHBondContact CB-O 3.32Å; L319-G411 PolarHBondContact N-O 3.17Å; L319-G411 PolarHBondContact O-N 3.2Å; L319-V413 HydrophobicContact CD1-CB 4.01Å; L319-V413 HydrophobicContact CD1-CG2 3.77Å |
| 320 | K | 94.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.057 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145 | 179.2 | -74.8 | 172.8 | 166.6 | -70.3 | 0 | 109.7 | Y248 D250 E408 W409 E410 | Y248-K320 PolarHBondContact N-O 2.72Å; Y248-K320 PolarHBondContact O-N 3.03Å; D250-K320 HydrophobicContact CB-CD 3.82Å; D250-K320 HydrophobicContact CB-CG 4.13Å; D250-K320 VanDerWaalsContact CG-CE 3.45Å; D250-K320 WeakPolarHBondContact OD2-CE 3.39Å; K320-E408 WeakPolarHBondContact CD-OE1 3.36Å; K320-E408 WeakPolarHBondContact CE-OE1 3.49Å; K320-E408 VanDerWaalsContact CG-OE1 3.3Å; K320-E408 WeakPolarHBondContact CG-OE1 3.4Å; K320-E408 VanDerWaalsContact NZ-CD 3.25Å; K320-E408 IonicContact NZ-OE1 3.2Å; K320-E408 PolarHBondContact NZ-OE1 2.83Å; K320-E408 IonicContact NZ-OE2 3.3Å; K320-E408 PolarHBondContact NZ-OE2 2.86Å; K320-W409 CarbonylContact C-O 3.56Å; K320-W409 WeakPolarHBondContact CA-O 3.1Å; K320-E410 WeakPolarHBondContact CE-OE1 3.33Å; K320-E410 HydrophobicContact CG-CG 4.37Å; K320-E410 IonicContact NZ-OE1 3.19Å; K320-E410 PolarHBondContact NZ-OE1 2.66Å |
| 321 | A | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L205 F207 V237 L245 R246 E408 W409 | L205-A321 HydrophobicContact CD1-CB 4.35Å; F207-A321 HydrophobicContact CE1-CB 3.88Å; F207-A321 HydrophobicContact CZ-CB 3.91Å; V237-A321 HydrophobicContact CG2-CB 4.29Å; L245-A321 HydrophobicContact CD1-CB 4.37Å; R246-A321 WeakPolarHBondContact O-CA 3.3Å; A321-E408 WeakPolarHBondContact O-CA 3.28Å; A321-W409 PolarHBondContact N-O 2.69Å; A321-W409 PolarHBondContact O-N 3.41Å |
| 322 | T | 92.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 168.3 | 167.9 | 69.9 | 0 | 0 | 0 | 0 | 109.5 | L245 R246 Y248 H332 L406 | L245-T322 CarbonylContact C-O 3.48Å; L245-T322 VanDerWaalsContact CA-O 3.24Å; L245-T322 WeakPolarHBondContact CA-O 3.45Å; R246-T322 PolarHBondContact N-O 2.79Å; R246-T322 PolarHBondContact O-N 2.86Å; R246-T322 VanDerWaalsContact O-N 3.11Å; Y248-T322 HydrophobicContact CE2-CG2 3.95Å; Y248-T322 WeakPolarHBondContact CE2-OG1 3.38Å; T322-H332 WeakPolarHBondContact CG2-CD2 3.44Å; T322-L406 HydrophobicContact CG2-CD1 4.41Å; T322-L406 HydrophobicContact CG2-CD2 4.48Å |
| 323 | T | 90.5 | Very high | 93.5 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 22% | 0.221 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 150.1 | 161.9 | 76.5 | 0 | 0 | 0 | 0 | 110.5 | V243 A325 H326 | V243-T323 HydrophobicContact CG2-CG2 3.79Å; T323-A325 PolarHBondContact O-N 2.91Å; T323-H326 WeakPolarHBondContact O-CB 3.24Å; T323-H326 PolarHBondContact O-N 2.76Å; T323-H326 VanDerWaalsContact O-N 3.15Å; T323-H326 PolarHBondContact OG1-N 3.05Å |
| 324 | T | 91.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 26% | 0.264 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.5 | 175 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | P244 R246 E293 H326 | P244-T324 HydrophobicContact CB-CG2 4.05Å; P244-T324 PolarHBondContact O-N 2.94Å; P244-T324 PolarHBondContact O-OG1 2.82Å; R246-T324 HydrophobicContact CB-CG2 4.32Å; R246-T324 PolarHBondContact NH2-O 3.07Å; E293-T324 HydrophobicContact CB-CG2 3.61Å; E293-T324 HydrophobicContact CG-CG2 3.71Å; T324-H326 VanDerWaalsContact C-N 3.25Å; T324-H326 PolarHBondContact O-N 3Å |
| 325 | A | 88.2 | Confident | 93.8 | Very high | 93 Ų | 93 | 26.1 Ų | 26.1 | 77% | 0.769 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -18.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T323 | T323-A325 PolarHBondContact O-N 2.91Š|
| 326 | H | 90.6 | Very high | 93.8 | Very high | 41 Ų | 41 | 26.3 Ų | 26.3 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -72.6 | 131.6 | 169.4 | -166.7 | 70.6 | 0 | 0 | 0 | 109.8 | R246 T323 T324 D329 H332 L406 | R246-H326 PolarHBondContact NH1-O 3.45Å; T323-H326 WeakPolarHBondContact O-CB 3.24Å; T323-H326 PolarHBondContact O-N 2.76Å; T323-H326 VanDerWaalsContact O-N 3.15Å; T323-H326 PolarHBondContact OG1-N 3.05Å; T324-H326 VanDerWaalsContact C-N 3.25Å; T324-H326 PolarHBondContact O-N 3Å; H326-D329 IonicContact CD2-OD2 2.68Å; H326-D329 IonicContact CE1-OD2 2.78Å; H326-D329 IonicContact NE2-OD2 3.28Å; H326-D329 PolarHBondContact NE2-OD2 2.8Å; H326-H332 AromaticContact CD2-ND1 3.8Å; H326-H332 AromaticContact NE2-CE1 3.82Å; H326-H332 AromaticContact NE2-ND1 3.39Å; H326-H332 PolarHBondContact NE2-ND1 3.28Å; H326-L406 HydrophobicContact CB-CD1 4.14Å |
| 327 | P | 92.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 29.8 Ų | 29.8 | 55% | 0.545 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 158.9 | 178.1 | 29.5 | -36.4 | 0 | 0 | 0 | 112.1 | ||
| 328 | I | 94.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 34 Ų | 34 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 124.9 | 167.6 | -68.7 | 170.2 | 0 | 0 | 0 | 107.8 | Y248 H332 R333 E343 S345 V347 A350 | Y248-I328 HydrophobicContact CE1-CG1 4.4Å; I328-H332 WeakPolarHBondContact CA-O 3.47Å; I328-H332 WeakPolarHBondContact CG2-O 3.43Å; I328-R333 HydrophobicContact CG2-CB 4.16Å; I328-E343 HydrophobicContact CG2-CG 4.03Å; I328-S345 VanDerWaalsContact CD1-CB 3.46Å; I328-S345 WeakPolarHBondContact CD1-OG 3.42Å; I328-V347 HydrophobicContact CB-CB 4.23Å; I328-V347 HydrophobicContact CB-CG1 4.43Å; I328-V347 HydrophobicContact CB-CG2 4.15Å; I328-V347 HydrophobicContact CD1-CG2 3.96Å; I328-V347 HydrophobicContact CG2-CB 3.9Å; I328-V347 HydrophobicContact CG2-CG1 4.29Å; I328-V347 HydrophobicContact CG2-CG2 4.29Å; I328-A350 HydrophobicContact CG2-CB 3.82Å |
| 329 | D | 92.6 | Very high | 92.7 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 22% | 0.219 | 23% | 0.234 | C | C | . | . | trans | -140.4 | -168 | -168.3 | 71.1 | 28.2 | 0 | 0 | 0 | 112.5 | H326 Q331 H332 R333 | H326-D329 IonicContact CD2-OD2 2.68Å; H326-D329 IonicContact CE1-OD2 2.78Å; H326-D329 IonicContact NE2-OD2 3.28Å; H326-D329 PolarHBondContact NE2-OD2 2.8Å; D329-Q331 PolarHBondContact O-N 2.98Å; D329-Q331 WeakPolarHBondContact OD1-CA 3.36Å; D329-Q331 PolarHBondContact OD1-N 2.86Å; D329-H332 VanDerWaalsContact CG-ND1 3.29Å; D329-H332 PolarHBondContact N-O 3.39Å; D329-H332 VanDerWaalsContact N-O 3.15Å; D329-H332 WeakPolarHBondContact OD1-CB 3.4Å; D329-H332 IonicContact OD1-CE1 2.71Å; D329-H332 IonicContact OD1-CG 3.86Å; D329-H332 PolarHBondContact OD1-N 2.83Å; D329-H332 IonicContact OD1-ND1 3.87Å; D329-H332 PolarHBondContact OD1-ND1 2.86Å; D329-H332 IonicContact OD2-CE1 3.89Å; D329-H332 IonicContact OD2-CG 3.64Å; D329-H332 IonicContact OD2-ND1 2.81Å; D329-H332 PolarHBondContact OD2-ND1 3.2Å; D329-R333 WeakPolarHBondContact O-CD 3.46Å | ||
| 330 | G | 89.6 | Confident | 92.5 | Very high | 36 Ų | 36 | 38 Ų | 38 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -70.6 | -4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R333 | G330-R333 PolarHBondContact O-NH1 2.03Å; G330-R333 PolarHBondContact O-NH2 2.77Å |
| 331 | Q | 90.8 | Very high | 92.4 | Very high | 107 Ų | 107 | 38.5 Ų | 38.5 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -126.4 | -17.5 | 178.4 | -68.6 | 179.2 | -39.4 | 0 | 0 | 112.7 | F272 D329 | F272-Q331 HydrophobicContact CD1-CB 4.28Å; F272-Q331 HydrophobicContact CD1-CG 4.27Å; F272-Q331 HydrophobicContact CD2-CG 4.35Å; F272-Q331 HydrophobicContact CE1-CG 4.47Å; F272-Q331 HydrophobicContact CG-CB 4.34Å; F272-Q331 HydrophobicContact CG-CG 4.22Å; D329-Q331 PolarHBondContact O-N 2.98Å; D329-Q331 WeakPolarHBondContact OD1-CA 3.36Å; D329-Q331 PolarHBondContact OD1-N 2.86Å |
| 332 | H | 95 | Very high | 92.5 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -125 | 81.5 | -175.4 | -52.5 | 97.9 | 0 | 0 | 0 | 110 | Y248 T322 H326 I328 D329 E408 | Y248-H332 HydrophobicContact CD2-CB 4.38Å; Y248-H332 HydrophobicContact CE1-CB 4.03Å; Y248-H332 VanDerWaalsContact CE1-O 3.29Å; Y248-H332 WeakPolarHBondContact CE1-O 3.42Å; Y248-H332 HydrophobicContact CE2-CB 3.87Å; T322-H332 WeakPolarHBondContact CG2-CD2 3.44Å; H326-H332 AromaticContact CD2-ND1 3.8Å; H326-H332 AromaticContact NE2-CE1 3.82Å; H326-H332 AromaticContact NE2-ND1 3.39Å; H326-H332 PolarHBondContact NE2-ND1 3.28Å; I328-H332 WeakPolarHBondContact CA-O 3.47Å; I328-H332 WeakPolarHBondContact CG2-O 3.43Å; D329-H332 VanDerWaalsContact CG-ND1 3.29Å; D329-H332 PolarHBondContact N-O 3.39Å; D329-H332 VanDerWaalsContact N-O 3.15Å; D329-H332 WeakPolarHBondContact OD1-CB 3.4Å; D329-H332 IonicContact OD1-CE1 2.71Å; D329-H332 IonicContact OD1-CG 3.86Å; D329-H332 PolarHBondContact OD1-N 2.83Å; D329-H332 IonicContact OD1-ND1 3.87Å; D329-H332 PolarHBondContact OD1-ND1 2.86Å; D329-H332 IonicContact OD2-CE1 3.89Å; D329-H332 IonicContact OD2-CG 3.64Å; D329-H332 IonicContact OD2-ND1 2.81Å; D329-H332 PolarHBondContact OD2-ND1 3.2Å; H332-E408 IonicContact CD2-OE1 2.87Å; H332-E408 IonicContact NE2-OE1 3.63Å; H332-E408 PolarHBondContact NE2-OE1 3.17Å |
| 333 | R | 95.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | trans | -154.3 | 171.4 | -170.4 | 61.3 | -169.6 | 177.9 | -169.8 | -5.2 | 112.3 | Y248 N271 F272 C274 I328 D329 G330 E343 A350 S353 | Y248-R333 VanDerWaalsContact CD1-N 3.35Å; N271-R333 PolarHBondContact O-NH2 2.85Å; N271-R333 PolarHBondContact OD1-NH2 3.13Å; F272-R333 WeakPolarHBondContact O-CG 3.34Å; F272-R333 PolarHBondContact O-NE 2.98Å; C274-R333 PolarHBondContact SG-NH2 3.45Å; C274-R333 VanDerWaalsContact SG-NH2 3.45Å; I328-R333 HydrophobicContact CG2-CB 4.16Å; D329-R333 WeakPolarHBondContact O-CD 3.46Å; G330-R333 PolarHBondContact O-NH1 2.03Å; G330-R333 PolarHBondContact O-NH2 2.77Å; R333-E343 HydrophobicContact CB-CG 4.44Å; R333-A350 HydrophobicContact CB-CB 4.4Å; R333-A350 VanDerWaalsContact CD-O 3.3Å; R333-A350 WeakPolarHBondContact CD-O 3.46Å; R333-A350 PolarHBondContact NH1-O 3.16Å; R333-S353 PolarHBondContact NH1-OG 2.81Å; R333-S353 PolarHBondContact NH2-OG 3.47Å | ||
| 334 | A | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -141.9 | 93.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | F287 L296 E343 A344 | F287-A334 HydrophobicContact CD1-CB 3.99Å; F287-A334 HydrophobicContact CD2-CB 4.05Å; F287-A334 HydrophobicContact CE1-CB 3.93Å; F287-A334 HydrophobicContact CE2-CB 3.97Å; F287-A334 HydrophobicContact CG-CB 4.04Å; F287-A334 HydrophobicContact CZ-CB 3.88Å; L296-A334 HydrophobicContact CD1-CB 3.98Å; L296-A334 HydrophobicContact CD2-CB 3.71Å; L296-A334 HydrophobicContact CG-CB 4.48Å; A334-E343 CarbonylContact O-C 3.48Å; A334-E343 WeakPolarHBondContact O-CA 3.05Å; A334-A344 HydrophobicContact CB-CB 3.77Å; A334-A344 PolarHBondContact O-N 2.55Å | ||
| 335 | C | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130 | -164.3 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | G273 L275 W341 R342 C351 | G273-C335 PolarHBondContact O-N 2.8Å; L275-C335 WeakPolarHBondContact CB-O 3.44Å; L275-C335 PolarHBondContact N-O 2.89Å; C335-W341 HydrophobicContact CB-CE3 4.02Å; C335-W341 HydrophobicContact CB-CZ3 4.35Å; C335-R342 CarbonylContact C-O 3.55Å; C335-R342 VanDerWaalsContact CA-O 3.31Å; C335-R342 WeakPolarHBondContact CA-O 3.29Å; C335-C351 HydrophobicContact CB-CB 3.78Å; C335-C351 WeakPolarHBondContact CB-SG 3.3Å; C335-C351 WeakPolarHBondContact SG-CA 3.34Å; C335-C351 WeakPolarHBondContact SG-CB 3.37Å; C335-C351 CovalentContact SG-SG 2.03Å; C335-C351 PolarHBondContact SG-SG 3.17Å |
| 336 | S | 96.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.8 | 176.7 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | F287 W341 R342 | F287-S336 WeakPolarHBondContact CB-OG 3.42Å; F287-S336 WeakPolarHBondContact CD2-OG 3.27Å; F287-S336 PolarHBondContact N-OG 3.01Å; S336-W341 CarbonylContact O-C 3.55Å; S336-W341 WeakPolarHBondContact O-CA 3.34Å; S336-R342 PolarHBondContact N-O 3.41Å; S336-R342 PolarHBondContact O-N 3.39Å |
| 337 | Y | 93.2 | Very high | 93.7 | Very high | 81 Ų | 81 | 43 Ų | 43 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 105.9 | 175.1 | -170.2 | -95.8 | 0 | 0 | 0 | 111 | R279 W341 | R279-Y337 HydrophobicContact CB-CD1 4.15Å; R279-Y337 HydrophobicContact CB-CD2 4.4Å; R279-Y337 HydrophobicContact CB-CG 3.97Å; R279-Y337 HydrophobicContact CG-CD1 4.43Å; R279-Y337 HydrophobicContact CG-CD2 4.23Å; R279-Y337 HydrophobicContact CG-CE2 4.37Å; R279-Y337 HydrophobicContact CG-CG 4.26Å; Y337-W341 HydrophobicContact CD2-CD2 4.16Å; Y337-W341 AromaticContact CD2-CE2 3.94Å; Y337-W341 HydrophobicContact CD2-CG 4.42Å; Y337-W341 HydrophobicContact CD2-CZ2 4.35Å |
| 338 | I | 90.7 | Very high | 93.8 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 45% | 0.446 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -130.8 | 73.2 | -177.8 | -48.9 | 178.8 | 0 | 0 | 0 | 108.5 | R286 G340 | R286-I338 HydrophobicContact CB-CD1 4.38Å; I338-G340 CarbonylContact C-O 3.55Å; I338-G340 PolarHBondContact N-O 2.97Å; I338-G340 PolarHBondContact O-N 2.89Å |
| 339 | G | 85.1 | Confident | 93.7 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 81% | 0.814 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 67.6 | 23.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 340 | G | 90.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 136.3 | 160.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I338 | I338-G340 CarbonylContact C-O 3.55Å; I338-G340 PolarHBondContact N-O 2.97Å; I338-G340 PolarHBondContact O-N 2.89Å |
| 341 | W | 93.9 | Very high | 93.9 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 9% | 0.087 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139 | -177.3 | -66.3 | 100.4 | 0 | 0 | 0 | 112.9 | C274 I276 C335 S336 Y337 C351 C354 E355 | C274-W341 HydrophobicContact CB-CH2 4.09Å; C274-W341 HydrophobicContact CB-CZ3 4.17Å; I276-W341 HydrophobicContact CG2-CH2 4.16Å; C335-W341 HydrophobicContact CB-CE3 4.02Å; C335-W341 HydrophobicContact CB-CZ3 4.35Å; S336-W341 CarbonylContact O-C 3.55Å; S336-W341 WeakPolarHBondContact O-CA 3.34Å; Y337-W341 HydrophobicContact CD2-CD2 4.16Å; Y337-W341 AromaticContact CD2-CE2 3.94Å; Y337-W341 HydrophobicContact CD2-CG 4.42Å; Y337-W341 HydrophobicContact CD2-CZ2 4.35Å; W341-C351 HydrophobicContact CB-CB 3.69Å; W341-C351 HydrophobicContact CG-CB 4.38Å; W341-C354 HydrophobicContact CD2-CB 3.51Å; W341-C354 HydrophobicContact CE3-CB 3.78Å; W341-C354 HydrophobicContact CG-CB 4.12Å; W341-C354 HydrophobicContact CH2-CB 3.79Å; W341-C354 HydrophobicContact CZ2-CB 3.5Å; W341-C354 HydrophobicContact CZ3-CB 3.92Å; W341-E355 VanDerWaalsContact CD1-OE2 3.27Å; W341-E355 PolarHBondContact NE1-OE2 2.94Å |
| 342 | R | 95.5 | Very high | 93.9 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.8 | 175.7 | -66.5 | -63.1 | -179.1 | -92.8 | 1.9 | 111 | C335 S336 D348 | C335-R342 CarbonylContact C-O 3.55Å; C335-R342 VanDerWaalsContact CA-O 3.31Å; C335-R342 WeakPolarHBondContact CA-O 3.29Å; S336-R342 PolarHBondContact N-O 3.41Å; S336-R342 PolarHBondContact O-N 3.39Å; R342-D348 VanDerWaalsContact CA-OD1 3.24Å; R342-D348 WeakPolarHBondContact CA-OD1 3.31Å; R342-D348 VanDerWaalsContact CD-CG 3.42Å; R342-D348 VanDerWaalsContact CD-OD1 3.31Å; R342-D348 WeakPolarHBondContact CD-OD1 3.2Å; R342-D348 WeakPolarHBondContact CD-OD2 3.3Å; R342-D348 IonicContact CZ-OD2 2.77Å; R342-D348 IonicContact NE-OD2 2.72Å; R342-D348 PolarHBondContact NE-OD2 2.88Å; R342-D348 IonicContact NH1-OD2 3.77Å |
| 343 | E | 96.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.2 | 177.7 | -162.6 | -81.2 | 127.7 | 0 | 0 | 110.8 | I328 R333 A334 S345 G346 V347 D348 C351 | I328-E343 HydrophobicContact CG2-CG 4.03Å; R333-E343 HydrophobicContact CB-CG 4.44Å; A334-E343 CarbonylContact O-C 3.48Å; A334-E343 WeakPolarHBondContact O-CA 3.05Å; E343-S345 PolarHBondContact O-N 2.96Å; E343-S345 VanDerWaalsContact O-N 3.11Å; E343-S345 WeakPolarHBondContact OE1-CB 3.38Å; E343-S345 PolarHBondContact OE1-N 2.77Å; E343-S345 PolarHBondContact OE1-OG 3.17Å; E343-S345 WeakPolarHBondContact OE2-CA 3.46Å; E343-S345 WeakPolarHBondContact OE2-CB 3.4Å; E343-S345 PolarHBondContact OE2-N 2.94Å; E343-S345 PolarHBondContact OE2-OG 3.01Å; E343-G346 PolarHBondContact O-N 2.9Å; E343-G346 PolarHBondContact OE2-N 3.1Å; E343-G346 VanDerWaalsContact OE2-N 3.07Å; E343-V347 HydrophobicContact CG-CB 4.47Å; E343-V347 PolarHBondContact OE2-N 3.43Å; E343-D348 PolarHBondContact N-OD1 2.9Å; E343-C351 VanDerWaalsContact CB-SG 3.58Å |
| 344 | A | 96.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 12% | 0.116 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F287 M288 A289 R290 L296 A334 | F287-A344 HydrophobicContact CB-CB 3.97Å; M288-A344 WeakPolarHBondContact O-CB 3.37Å; A289-A344 CarbonylContact C-O 3.55Å; A289-A344 WeakPolarHBondContact CA-O 3.49Å; R290-A344 PolarHBondContact N-O 3.07Å; L296-A344 HydrophobicContact CD1-CB 4.14Å; A334-A344 HydrophobicContact CB-CB 3.77Å; A334-A344 PolarHBondContact O-N 2.55Å |
| 345 | S | 95.2 | Very high | 92.6 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 4.1 | 179.9 | -23.5 | 0 | 0 | 0 | 0 | 112.4 | R290 I328 E343 | R290-S345 PolarHBondContact NE-OG 3.07Å; I328-S345 VanDerWaalsContact CD1-CB 3.46Å; I328-S345 WeakPolarHBondContact CD1-OG 3.42Å; E343-S345 PolarHBondContact O-N 2.96Å; E343-S345 VanDerWaalsContact O-N 3.11Å; E343-S345 WeakPolarHBondContact OE1-CB 3.38Å; E343-S345 PolarHBondContact OE1-N 2.77Å; E343-S345 PolarHBondContact OE1-OG 3.17Å; E343-S345 WeakPolarHBondContact OE2-CA 3.46Å; E343-S345 WeakPolarHBondContact OE2-CB 3.4Å; E343-S345 PolarHBondContact OE2-N 2.94Å; E343-S345 PolarHBondContact OE2-OG 3.01Å |
| 346 | G | 93.5 | Very high | 91.1 | Very high | 58 Ų | 58 | 52 Ų | 52 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 90.9 | 2.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E343 D348 | E343-G346 PolarHBondContact O-N 2.9Å; E343-G346 PolarHBondContact OE2-N 3.1Å; E343-G346 VanDerWaalsContact OE2-N 3.07Å; G346-D348 VanDerWaalsContact C-N 3.27Å; G346-D348 PolarHBondContact O-N 3.19Å; G346-D348 VanDerWaalsContact O-N 3.12Å |
| 347 | V | 94.7 | Very high | 89.3 | Confident | 60 Ų | 60 | 53 Ų | 53 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | trans | -89.6 | 56.7 | -178.3 | -164.4 | 0 | 0 | 0 | 0 | 111.3 | I328 E343 P349 A350 | I328-V347 HydrophobicContact CB-CB 4.23Å; I328-V347 HydrophobicContact CB-CG1 4.43Å; I328-V347 HydrophobicContact CB-CG2 4.15Å; I328-V347 HydrophobicContact CD1-CG2 3.96Å; I328-V347 HydrophobicContact CG2-CB 3.9Å; I328-V347 HydrophobicContact CG2-CG1 4.29Å; I328-V347 HydrophobicContact CG2-CG2 4.29Å; E343-V347 HydrophobicContact CG-CB 4.47Å; E343-V347 PolarHBondContact OE2-N 3.43Å; V347-P349 VanDerWaalsContact C-N 3.3Å; V347-P349 WeakPolarHBondContact O-CD 3.4Å; V347-A350 HydrophobicContact CG1-CB 4.32Å; V347-A350 VanDerWaalsContact O-CB 3.28Å; V347-A350 WeakPolarHBondContact O-CB 3.48Å; V347-A350 PolarHBondContact O-N 2.75Å | ||
| 348 | D | 94.3 | Very high | 87.1 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -45 | -39.2 | -176 | -71.6 | -11.5 | 0 | 0 | 0 | 115.9 | R342 E343 G346 A350 C351 | R342-D348 VanDerWaalsContact CA-OD1 3.24Å; R342-D348 WeakPolarHBondContact CA-OD1 3.31Å; R342-D348 VanDerWaalsContact CD-CG 3.42Å; R342-D348 VanDerWaalsContact CD-OD1 3.31Å; R342-D348 WeakPolarHBondContact CD-OD1 3.2Å; R342-D348 WeakPolarHBondContact CD-OD2 3.3Å; R342-D348 IonicContact CZ-OD2 2.77Å; R342-D348 IonicContact NE-OD2 2.72Å; R342-D348 PolarHBondContact NE-OD2 2.88Å; R342-D348 IonicContact NH1-OD2 3.77Å; E343-D348 PolarHBondContact N-OD1 2.9Å; G346-D348 VanDerWaalsContact C-N 3.27Å; G346-D348 PolarHBondContact O-N 3.19Å; G346-D348 VanDerWaalsContact O-N 3.12Å; D348-A350 PolarHBondContact O-N 2.85Å; D348-A350 VanDerWaalsContact O-N 3.16Å; D348-C351 WeakPolarHBondContact O-CB 3.32Å; D348-C351 PolarHBondContact O-N 3.31Å |
| 349 | P | 93.1 | Very high | 84.9 | Confident | 107 Ų | 107 | 55 Ų | 55 | 70% | 0.695 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -59.5 | -25 | 178 | -26 | 36.7 | 0 | 0 | 0 | 114.6 | V347 C351 A352 | V347-P349 VanDerWaalsContact C-N 3.3Å; V347-P349 WeakPolarHBondContact O-CD 3.4Å; P349-C351 PolarHBondContact O-N 3.49Å; P349-A352 WeakPolarHBondContact O-CB 3.46Å; P349-A352 PolarHBondContact O-N 3.05Å |
| 350 | A | 93 | Very high | 82.9 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -64 | -25.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I328 R333 V347 D348 A352 | I328-A350 HydrophobicContact CG2-CB 3.82Å; R333-A350 HydrophobicContact CB-CB 4.4Å; R333-A350 VanDerWaalsContact CD-O 3.3Å; R333-A350 WeakPolarHBondContact CD-O 3.46Å; R333-A350 PolarHBondContact NH1-O 3.16Å; V347-A350 HydrophobicContact CG1-CB 4.32Å; V347-A350 VanDerWaalsContact O-CB 3.28Å; V347-A350 WeakPolarHBondContact O-CB 3.48Å; V347-A350 PolarHBondContact O-N 2.75Å; D348-A350 PolarHBondContact O-N 2.85Å; D348-A350 VanDerWaalsContact O-N 3.16Å; A350-A352 VanDerWaalsContact C-N 3.3Å; A350-A352 PolarHBondContact O-N 2.7Å |
| 351 | C | 94.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -82.2 | 0.9 | 178.6 | -56.4 | 0 | 0 | 0 | 0 | 114.3 | C335 W341 E343 D348 P349 S353 C354 | C335-C351 HydrophobicContact CB-CB 3.78Å; C335-C351 WeakPolarHBondContact CB-SG 3.3Å; C335-C351 WeakPolarHBondContact SG-CA 3.34Å; C335-C351 WeakPolarHBondContact SG-CB 3.37Å; C335-C351 CovalentContact SG-SG 2.03Å; C335-C351 PolarHBondContact SG-SG 3.17Å; W341-C351 HydrophobicContact CB-CB 3.69Å; W341-C351 HydrophobicContact CG-CB 4.38Å; E343-C351 VanDerWaalsContact CB-SG 3.58Å; D348-C351 WeakPolarHBondContact O-CB 3.32Å; D348-C351 PolarHBondContact O-N 3.31Å; P349-C351 PolarHBondContact O-N 3.49Å; C351-S353 VanDerWaalsContact C-N 3.27Å; C351-S353 PolarHBondContact O-N 2.61Å; C351-C354 VanDerWaalsContact O-CB 3.23Å; C351-C354 WeakPolarHBondContact O-CB 3.33Å; C351-C354 PolarHBondContact O-N 3.23Å |
| 352 | A | 89.3 | Confident | 77.8 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 60% | 0.603 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -56.7 | -36.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P349 A350 C354 E355 | P349-A352 WeakPolarHBondContact O-CB 3.46Å; P349-A352 PolarHBondContact O-N 3.05Å; A350-A352 VanDerWaalsContact C-N 3.3Å; A350-A352 PolarHBondContact O-N 2.7Å; A352-C354 VanDerWaalsContact C-N 3.3Å; A352-C354 PolarHBondContact O-N 3.28Å; A352-E355 PolarHBondContact O-N 2.89Å |
| 353 | S | 89.6 | Confident | 74.9 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 32% | 0.322 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -81.6 | 0.4 | 177.5 | 66.5 | 0 | 0 | 0 | 0 | 115 | N271 R333 C351 E355 S356 G357 | N271-S353 PolarHBondContact ND2-O 2.93Å; R333-S353 PolarHBondContact NH1-OG 2.81Å; R333-S353 PolarHBondContact NH2-OG 3.47Å; C351-S353 VanDerWaalsContact C-N 3.27Å; C351-S353 PolarHBondContact O-N 2.61Å; S353-E355 VanDerWaalsContact C-N 3.32Å; S353-S356 WeakPolarHBondContact CA-OG 3.21Å; S353-S356 PolarHBondContact O-OG 2.85Å; S353-G357 PolarHBondContact O-N 2.86Å |
| 354 | C | 89.6 | Confident | 71.8 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.014 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70.7 | -29.6 | 167.4 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | C274 R279 W341 C351 A352 | C274-C354 HydrophobicContact CB-CB 3.72Å; C274-C354 WeakPolarHBondContact CB-SG 3.49Å; C274-C354 WeakPolarHBondContact SG-CA 3.18Å; C274-C354 WeakPolarHBondContact SG-CB 3.43Å; C274-C354 CovalentContact SG-SG 2.03Å; C274-C354 PolarHBondContact SG-SG 2.87Å; R279-C354 PolarHBondContact NH1-O 2.86Å; W341-C354 HydrophobicContact CD2-CB 3.51Å; W341-C354 HydrophobicContact CE3-CB 3.78Å; W341-C354 HydrophobicContact CG-CB 4.12Å; W341-C354 HydrophobicContact CH2-CB 3.79Å; W341-C354 HydrophobicContact CZ2-CB 3.5Å; W341-C354 HydrophobicContact CZ3-CB 3.92Å; C351-C354 VanDerWaalsContact O-CB 3.23Å; C351-C354 WeakPolarHBondContact O-CB 3.33Å; C351-C354 PolarHBondContact O-N 3.23Å; A352-C354 VanDerWaalsContact C-N 3.3Å; A352-C354 PolarHBondContact O-N 3.28Å |
| 355 | E | 82.3 | Confident | 68.9 | Low | 97 Ų | 97 | 76.5 Ų | 76.5 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 177.8 | -166.1 | 58.1 | -144.8 | 0 | 0 | 111.6 | R279 W341 A352 S353 | R279-E355 IonicContact CZ-OE1 3.53Å; R279-E355 IonicContact CZ-OE2 2.67Å; R279-E355 IonicContact NE-OE1 3.81Å; R279-E355 IonicContact NE-OE2 3.34Å; R279-E355 PolarHBondContact NH2-O 3.5Å; R279-E355 IonicContact NH2-OE1 2.76Å; R279-E355 PolarHBondContact NH2-OE1 2.9Å; R279-E355 IonicContact NH2-OE2 2.8Å; R279-E355 PolarHBondContact NH2-OE2 2.95Å; W341-E355 VanDerWaalsContact CD1-OE2 3.27Å; W341-E355 PolarHBondContact NE1-OE2 2.94Å; A352-E355 PolarHBondContact O-N 2.89Å; S353-E355 VanDerWaalsContact C-N 3.32Å |
| 356 | S | 65.8 | Low | 65.9 | Low | 94 Ų | 94 | 77.7 Ų | 77.7 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 6.2 | -179.1 | 61.3 | 0 | 0 | 0 | 0 | 115 | S353 | S353-S356 WeakPolarHBondContact CA-OG 3.21Å; S353-S356 PolarHBondContact O-OG 2.85Å |
| 357 | G | 57.2 | Low | 63.2 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 26% | 0.258 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -72.6 | 125.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S353 V359 | S353-G357 PolarHBondContact O-N 2.86Å; G357-V359 PolarHBondContact O-N 2.8Å |
| 358 | D | 47.7 | Very low | 60.1 | Low | 156 Ų | 156 | 82.2 Ų | 82.2 | 83% | 0.834 | 53% | 0.526 | S | S | * | . | trans | -61.3 | 103.2 | 170.9 | -88.3 | -40.9 | 0 | 0 | 0 | 109.4 | I360 | D358-I360 VanDerWaalsContact C-N 3.35Å; D358-I360 WeakPolarHBondContact O-CG1 3.36Å; D358-I360 PolarHBondContact O-N 2.97Å | ||
| 359 | V | 44.9 | Very low | 57.4 | Low | 54 Ų | 54 | 88.7 Ų | 88.7 | 33% | 0.327 | 55% | 0.551 | S | S | . | * | trans | -72.2 | 91.5 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | I280 G357 S361 | I280-V359 HydrophobicContact CD1-CG1 3.66Å; I280-V359 HydrophobicContact CG1-CG1 4.02Å; G357-V359 PolarHBondContact O-N 2.8Å; V359-S361 VanDerWaalsContact C-N 3.28Å; V359-S361 PolarHBondContact O-N 2.67Å; V359-S361 PolarHBondContact O-OG 2.87Å; V359-S361 VanDerWaalsContact O-OG 3.13Å | ||
| 360 | I | 43.3 | Very low | 54.5 | Low | 113 Ų | 113 | 87.1 Ų | 87.1 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | trans | -69.2 | 90.2 | -178.5 | -41.4 | -178 | 0 | 0 | 0 | 109.8 | D358 Y362 | D358-I360 VanDerWaalsContact C-N 3.35Å; D358-I360 WeakPolarHBondContact O-CG1 3.36Å; D358-I360 PolarHBondContact O-N 2.97Å; I360-Y362 VanDerWaalsContact C-N 3.31Å; I360-Y362 HydrophobicContact CB-CD2 4.19Å; I360-Y362 HydrophobicContact CB-CE2 3.83Å; I360-Y362 HydrophobicContact CD1-CE2 4.49Å; I360-Y362 HydrophobicContact CG2-CD1 4.14Å; I360-Y362 HydrophobicContact CG2-CD2 3.81Å; I360-Y362 HydrophobicContact CG2-CE1 3.76Å; I360-Y362 HydrophobicContact CG2-CE2 3.42Å; I360-Y362 VanDerWaalsContact CG2-CE2 3.42Å; I360-Y362 HydrophobicContact CG2-CG 4.17Å; I360-Y362 WeakPolarHBondContact O-CD2 3.3Å; I360-Y362 PolarHBondContact O-N 2.8Å | ||
| 361 | S | 38 | Very low | 51.6 | Low | 94 Ų | 94 | 94 Ų | 94 | 66% | 0.657 | 59% | 0.59 | S | S | * | * | trans | -78.6 | 80.6 | -177.3 | -61.9 | 0 | 0 | 0 | 0 | 109 | V359 T363 | V359-S361 VanDerWaalsContact C-N 3.28Å; V359-S361 PolarHBondContact O-N 2.67Å; V359-S361 PolarHBondContact O-OG 2.87Å; V359-S361 VanDerWaalsContact O-OG 3.13Å; S361-T363 VanDerWaalsContact C-N 3.32Å; S361-T363 PolarHBondContact O-N 3.19Å | ||
| 362 | Y | 39.7 | Very low | 48.7 | Very low | 169 Ų | 169 | 99.8 Ų | 99.8 | 66% | 0.663 | 63% | 0.627 | S | S | * | * | trans | -69.7 | 82.9 | -177.9 | -77.3 | -66.3 | 0 | 0 | 0 | 112.5 | I360 A364 | I360-Y362 VanDerWaalsContact C-N 3.31Å; I360-Y362 HydrophobicContact CB-CD2 4.19Å; I360-Y362 HydrophobicContact CB-CE2 3.83Å; I360-Y362 HydrophobicContact CD1-CE2 4.49Å; I360-Y362 HydrophobicContact CG2-CD1 4.14Å; I360-Y362 HydrophobicContact CG2-CD2 3.81Å; I360-Y362 HydrophobicContact CG2-CE1 3.76Å; I360-Y362 HydrophobicContact CG2-CE2 3.42Å; I360-Y362 VanDerWaalsContact CG2-CE2 3.42Å; I360-Y362 HydrophobicContact CG2-CG 4.17Å; I360-Y362 WeakPolarHBondContact O-CD2 3.3Å; I360-Y362 PolarHBondContact O-N 2.8Å; Y362-A364 PolarHBondContact O-N 2.86Å | ||
| 363 | T | 34.8 | Very low | 45.8 | Very low | 127 Ų | 127 | 104.4 Ų | 104.4 | 78% | 0.779 | 64% | 0.64 | S | S | * | * | trans | -59.5 | 131.5 | 150.9 | 51.9 | 0 | 0 | 0 | 0 | 108.7 | S361 | S361-T363 VanDerWaalsContact C-N 3.32Å; S361-T363 PolarHBondContact O-N 3.19Å | ||
| 364 | A | 30.9 | Very low | 43.3 | Very low | 89 Ų | 89 | 108.3 Ų | 108.3 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | trans | -56.5 | 142 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y362 G366 | Y362-A364 PolarHBondContact O-N 2.86Å; A364-G366 PolarHBondContact O-N 2.94Å | ||
| 365 | P | 35.6 | Very low | 40.6 | Very low | 127 Ų | 127 | 116 Ų | 116 | 83% | 0.825 | 70% | 0.701 | S | S | * | * | trans | -68.5 | 103.6 | -177.2 | 27.1 | -34.2 | 0 | 0 | 0 | 111.3 | ||||
| 366 | G | 32.9 | Very low | 38 | Very low | 69 Ų | 69 | 117.2 Ų | 117.2 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | trans | -62.9 | 132.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A364 A368 | A364-G366 PolarHBondContact O-N 2.94Å; G366-A368 PolarHBondContact O-N 2.7Å; G366-A368 VanDerWaalsContact O-N 3.12Å | ||
| 367 | V | 37 | Very low | 36.4 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | trans | -67.7 | 110 | -174.9 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | F369 | V367-F369 HydrophobicContact CB-CE2 4.5Å; V367-F369 HydrophobicContact CG1-CD2 3.96Å; V367-F369 HydrophobicContact CG1-CE1 4.49Å; V367-F369 HydrophobicContact CG1-CE2 3.58Å; V367-F369 HydrophobicContact CG1-CZ 3.88Å | ||
| 368 | A | 29.3 | Very low | 35.1 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -99.7 | 108.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G366 G370 | G366-A368 PolarHBondContact O-N 2.7Å; G366-A368 VanDerWaalsContact O-N 3.12Å; A368-G370 PolarHBondContact O-N 2.78Å | ||
| 369 | F | 37.4 | Very low | 34.3 | Very low | 194 Ų | 194 | 121.4 Ų | 121.4 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -76.7 | 103.5 | 175.6 | -72.2 | -86.8 | 0 | 0 | 0 | 111 | V367 | V367-F369 HydrophobicContact CB-CE2 4.5Å; V367-F369 HydrophobicContact CG1-CD2 3.96Å; V367-F369 HydrophobicContact CG1-CE1 4.49Å; V367-F369 HydrophobicContact CG1-CE2 3.58Å; V367-F369 HydrophobicContact CG1-CZ 3.88Å | ||
| 370 | G | 31.5 | Very low | 33.6 | Very low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 125.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A368 | A368-G370 PolarHBondContact O-N 2.78Š|
| 371 | N | 31.8 | Very low | 32.9 | Very low | 159 Ų | 159 | 121.8 Ų | 121.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 153.6 | 175.2 | -91.8 | -14.7 | 0 | 0 | 0 | 112.1 | ||
| 372 | P | 34.1 | Very low | 32.5 | Very low | 120 Ų | 120 | 121 Ų | 121 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 141.3 | -168.9 | 29.5 | -36.2 | 0 | 0 | 0 | 113.3 | ||
| 373 | L | 29.5 | Very low | 32.1 | Very low | 170 Ų | 170 | 122.6 Ų | 122.6 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 129.1 | 167.2 | -83.4 | 168.8 | 0 | 0 | 0 | 110.9 | ||
| 374 | V | 36.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 136 | 172.2 | 176.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 375 | I | 31.6 | Very low | 31.9 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -118.5 | 123.9 | 164.8 | -62.2 | -178.8 | 0 | 0 | 0 | 108.1 | ||||
| 376 | T | 28.9 | Very low | 31.6 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -77.8 | 141.4 | 179.1 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 377 | S | 32 | Very low | 31.3 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -70.3 | 136.2 | 167 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 378 | D | 30.5 | Very low | 31 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -145.5 | 153 | 147.4 | -137.2 | -25 | 0 | 0 | 0 | 110.6 | ||||
| 379 | G | 30.3 | Very low | 31 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -117.4 | 140.3 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 380 | G | 29.2 | Very low | 30.6 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -147.4 | 110.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 381 | G | 29.1 | Very low | 30.6 | Very low | 90 Ų | 90 | 136 Ų | 136 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | -88.8 | 143.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 382 | G | 29.1 | Very low | 30.7 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -148.1 | 106.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q384 | G382-Q384 PolarHBondContact O-N 3.5Š| ||
| 383 | Q | 31.7 | Very low | 30.7 | Very low | 203 Ų | 203 | 135.9 Ų | 135.9 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | trans | -77.3 | 117.3 | 178 | -83.4 | -179.1 | -44.9 | 0 | 0 | 111.2 | ||||
| 384 | Q | 30.9 | Very low | 31.1 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -134.8 | 150.6 | 155.2 | -67.4 | -166.5 | 2.8 | 0 | 0 | 109.8 | G382 | G382-Q384 PolarHBondContact O-N 3.5Š| ||
| 385 | T | 30.5 | Very low | 31 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -80.5 | 154.4 | -172.5 | 42.2 | 0 | 0 | 0 | 0 | 112.4 | Q387 | T385-Q387 VanDerWaalsContact C-N 3.35Å; T385-Q387 PolarHBondContact O-N 3.07Å | ||
| 386 | P | 28.9 | Very low | 31.3 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -72.7 | 85.3 | -179.4 | 30 | -35.5 | 0 | 0 | 0 | 111.8 | V388 | P386-V388 PolarHBondContact O-N 3.19Š| ||
| 387 | Q | 27.1 | Very low | 31.8 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 106.2 | 161.6 | -75.6 | -85.8 | -63.3 | 0 | 0 | 108.7 | T385 P389 | T385-Q387 VanDerWaalsContact C-N 3.35Å; T385-Q387 PolarHBondContact O-N 3.07Å; Q387-P389 VanDerWaalsContact O-CD 3.25Å; Q387-P389 WeakPolarHBondContact O-CD 3.43Å | ||
| 388 | V | 30.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 67% | 0.673 | 82% | 0.816 | S | S | * | * | trans | -82.8 | 111.6 | 171.6 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | P386 Y390 | P386-V388 PolarHBondContact O-N 3.19Å; V388-Y390 PolarHBondContact O-N 2.83Å | ||
| 389 | P | 29.6 | Very low | 32.6 | Very low | 99 Ų | 99 | 142 Ų | 142 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | trans | -85.8 | 113.7 | 178.2 | -2.1 | 22.9 | 0 | 0 | 0 | 109.4 | Q387 N391 | Q387-P389 VanDerWaalsContact O-CD 3.25Å; Q387-P389 WeakPolarHBondContact O-CD 3.43Å; P389-N391 PolarHBondContact O-N 2.65Å | ||
| 390 | Y | 28.7 | Very low | 32.9 | Very low | 212 Ų | 212 | 143.2 Ų | 143.2 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 75.4 | 171.4 | -78.4 | -92.8 | 0 | 0 | 0 | 110.8 | V388 L392 | V388-Y390 PolarHBondContact O-N 2.83Å; Y390-L392 PolarHBondContact O-N 3.37Å | ||
| 391 | N | 32.1 | Very low | 33.6 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -73.3 | 95.7 | 173.4 | -82.6 | -8.3 | 0 | 0 | 0 | 110.5 | P389 P393 | P389-N391 PolarHBondContact O-N 2.65Å; N391-P393 WeakPolarHBondContact O-CD 3.46Å | ||
| 392 | L | 33.6 | Very low | 34.1 | Very low | 158 Ų | 158 | 147 Ų | 147 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -57.3 | 115.4 | 173.3 | -73.4 | 158 | 0 | 0 | 0 | 111 | Y390 F394 | Y390-L392 PolarHBondContact O-N 3.37Å; L392-F394 PolarHBondContact O-N 3.1Å | ||
| 393 | P | 35.3 | Very low | 34.6 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -85.1 | 52.2 | -172.7 | 36 | -37.2 | 0 | 0 | 0 | 112.5 | N391 | N391-P393 WeakPolarHBondContact O-CD 3.46Š|
| 394 | F | 37.8 | Very low | 35.2 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | trans | -145.2 | 55.4 | 176.2 | -106.9 | -68.7 | 0 | 0 | 0 | 114 | L392 R396 | L392-F394 PolarHBondContact O-N 3.1Å; F394-R396 VanDerWaalsContact C-N 3.33Å; F394-R396 HydrophobicContact CD1-CG 4.31Å; F394-R396 PolarHBondContact O-N 3.35Å | ||
| 395 | S | 32.9 | Very low | 36.4 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -67.9 | 95.2 | 156.2 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | K397 | S395-K397 PolarHBondContact O-N 2.99Š| ||
| 396 | R | 38.8 | Very low | 38.1 | Very low | 220 Ų | 220 | 141 Ų | 141 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -63.9 | 106 | 171.5 | -83.4 | -174.1 | -88.1 | -172.5 | -7.1 | 108.1 | F394 A398 | F394-R396 VanDerWaalsContact C-N 3.33Å; F394-R396 HydrophobicContact CD1-CG 4.31Å; F394-R396 PolarHBondContact O-N 3.35Å; R396-A398 PolarHBondContact O-N 3.28Å | ||
| 397 | K | 38.9 | Very low | 40.1 | Very low | 202 Ų | 202 | 138.9 Ų | 138.9 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | trans | -50 | 130.2 | 165.4 | -70.7 | -176.5 | 178.3 | 179.5 | 0 | 107.9 | S395 R399 | S395-K397 PolarHBondContact O-N 2.99Å; K397-R399 PolarHBondContact O-N 2.69Å | ||
| 398 | A | 39.7 | Very low | 42.8 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -61.5 | 127.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108 | R396 D400 | R396-A398 PolarHBondContact O-N 3.28Å; A398-D400 PolarHBondContact O-N 2.68Å | ||
| 399 | R | 40 | Very low | 45.6 | Very low | 181 Ų | 181 | 130 Ų | 130 | 68% | 0.683 | 67% | 0.672 | S | S | * | * | trans | -71.9 | 113.8 | 178.6 | -161.4 | -177.4 | -157.1 | 161.7 | 7.6 | 107.7 | K397 V401 E405 | K397-R399 PolarHBondContact O-N 2.69Å; R399-V401 PolarHBondContact O-N 2.79Å; R399-E405 IonicContact CZ-OE1 2.74Å; R399-E405 IonicContact CZ-OE2 2.98Å; R399-E405 IonicContact NE-OE1 2.66Å; R399-E405 IonicContact NE-OE2 3.99Å; R399-E405 PolarHBondContact NE-OE2 2.95Å; R399-E405 IonicContact NH2-OE1 2.67Å; R399-E405 PolarHBondContact NH2-OE1 3.14Å; R399-E405 IonicContact NH2-OE2 3.84Å; R399-E405 PolarHBondContact NH2-OE2 3.2Å | ||
| 400 | D | 36.9 | Very low | 48.5 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 54% | 0.54 | 67% | 0.666 | S | S | . | * | trans | -71.8 | 119.1 | 172.6 | -167.1 | -28.5 | 0 | 0 | 0 | 108.3 | A398 T402 | A398-D400 PolarHBondContact O-N 2.68Å; D400-T402 VanDerWaalsContact C-N 3.25Å; D400-T402 PolarHBondContact O-N 3.38Å; D400-T402 WeakPolarHBondContact OD1-CB 3.27Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.24Å; D400-T402 PolarHBondContact OD1-N 2.93Å; D400-T402 PolarHBondContact OD1-OG1 2.8Å | ||
| 401 | V | 44.5 | Very low | 51.5 | Low | 137 Ų | 137 | 121.5 Ų | 121.5 | 83% | 0.83 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -0.4 | -174.8 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | R399 | R399-V401 PolarHBondContact O-N 2.79Š|
| 402 | T | 38.6 | Very low | 54.4 | Low | 116 Ų | 116 | 119.6 Ų | 119.6 | 71% | 0.712 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -11.5 | -177.6 | 66.4 | 0 | 0 | 0 | 0 | 114.6 | D400 | D400-T402 VanDerWaalsContact C-N 3.25Å; D400-T402 PolarHBondContact O-N 3.38Å; D400-T402 WeakPolarHBondContact OD1-CB 3.27Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.24Å; D400-T402 PolarHBondContact OD1-N 2.93Å; D400-T402 PolarHBondContact OD1-OG1 2.8Å |
| 403 | Q | 38.7 | Very low | 57.3 | Low | 150 Ų | 150 | 113.7 Ų | 113.7 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -101.5 | 132.5 | 173.7 | -66.7 | -172.5 | -10.8 | 0 | 0 | 110.7 | E405 | Q403-E405 PolarHBondContact O-N 2.94Å; Q403-E405 VanDerWaalsContact O-N 3.11Å |
| 404 | P | 46 | Very low | 60.2 | Low | 126 Ų | 126 | 110.9 Ų | 110.9 | 82% | 0.818 | 58% | 0.578 | S | S | * | * | trans | -67.7 | 109.7 | 167 | 28.7 | -31.5 | 0 | 0 | 0 | 108.3 | L406 | P404-L406 PolarHBondContact O-N 3Å; P404-L406 VanDerWaalsContact O-N 3.12Å | ||
| 405 | E | 54.7 | Low | 62.9 | Low | 123 Ų | 123 | 102.9 Ų | 102.9 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | trans | -65.3 | 111 | 177.8 | -158.4 | 168.6 | 131.6 | 0 | 0 | 108.6 | R399 Q403 V407 | R399-E405 IonicContact CZ-OE1 2.74Å; R399-E405 IonicContact CZ-OE2 2.98Å; R399-E405 IonicContact NE-OE1 2.66Å; R399-E405 IonicContact NE-OE2 3.99Å; R399-E405 PolarHBondContact NE-OE2 2.95Å; R399-E405 IonicContact NH2-OE1 2.67Å; R399-E405 PolarHBondContact NH2-OE1 3.14Å; R399-E405 IonicContact NH2-OE2 3.84Å; R399-E405 PolarHBondContact NH2-OE2 3.2Å; Q403-E405 PolarHBondContact O-N 2.94Å; Q403-E405 VanDerWaalsContact O-N 3.11Å; E405-V407 PolarHBondContact O-N 2.82Å | ||
| 406 | L | 66.3 | Low | 65.5 | Low | 68 Ų | 68 | 98.5 Ų | 98.5 | 36% | 0.356 | 52% | 0.517 | S | S | . | . | trans | -63.3 | 112.2 | -179.8 | 175.9 | 58.4 | 0 | 0 | 0 | 108.7 | T322 H326 P404 E408 | T322-L406 HydrophobicContact CG2-CD1 4.41Å; T322-L406 HydrophobicContact CG2-CD2 4.48Å; H326-L406 HydrophobicContact CB-CD1 4.14Å; P404-L406 PolarHBondContact O-N 3Å; P404-L406 VanDerWaalsContact O-N 3.12Å; L406-E408 HydrophobicContact CG-CB 4.37Å; L406-E408 PolarHBondContact O-N 2.82Å | ||
| 407 | V | 72.1 | Confident | 68 | Low | 77 Ų | 77 | 90.8 Ų | 90.8 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | trans | -75.7 | 98 | 170.8 | -167.7 | 0 | 0 | 0 | 0 | 107.3 | E405 W409 | E405-V407 PolarHBondContact O-N 2.82Å; V407-W409 HydrophobicContact CB-CH2 4.12Å; V407-W409 HydrophobicContact CB-CZ3 4.32Å; V407-W409 HydrophobicContact CG1-CD2 4.33Å; V407-W409 HydrophobicContact CG1-CE3 4.31Å; V407-W409 HydrophobicContact CG1-CH2 3.44Å; V407-W409 VanDerWaalsContact CG1-CH2 3.44Å; V407-W409 HydrophobicContact CG1-CZ2 3.45Å; V407-W409 VanDerWaalsContact CG1-CZ2 3.45Å; V407-W409 HydrophobicContact CG1-CZ3 3.89Å; V407-W409 VanDerWaalsContact O-CZ3 3.31Å; V407-W409 WeakPolarHBondContact O-CZ3 3.15Å | ||
| 408 | E | 84 | Confident | 70.6 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 29% | 0.29 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 144.4 | 174.1 | -179.7 | 171.9 | -149.9 | 0 | 0 | 109.2 | K320 A321 H332 L406 E410 | K320-E408 WeakPolarHBondContact CD-OE1 3.36Å; K320-E408 WeakPolarHBondContact CE-OE1 3.49Å; K320-E408 VanDerWaalsContact CG-OE1 3.3Å; K320-E408 WeakPolarHBondContact CG-OE1 3.4Å; K320-E408 VanDerWaalsContact NZ-CD 3.25Å; K320-E408 IonicContact NZ-OE1 3.2Å; K320-E408 PolarHBondContact NZ-OE1 2.83Å; K320-E408 IonicContact NZ-OE2 3.3Å; K320-E408 PolarHBondContact NZ-OE2 2.86Å; A321-E408 WeakPolarHBondContact O-CA 3.28Å; H332-E408 IonicContact CD2-OE1 2.87Å; H332-E408 IonicContact NE2-OE1 3.63Å; H332-E408 PolarHBondContact NE2-OE1 3.17Å; L406-E408 HydrophobicContact CG-CB 4.37Å; L406-E408 PolarHBondContact O-N 2.82Å; E408-E410 HydrophobicContact CG-CG 4.42Å |
| 409 | W | 87.7 | Confident | 73.1 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138 | 173 | -60.6 | -99.3 | 0 | 0 | 0 | 109.6 | L205 F207 L245 K320 A321 V407 | L205-W409 HydrophobicContact CD1-CB 3.69Å; L205-W409 HydrophobicContact CD1-CD2 3.5Å; L205-W409 VanDerWaalsContact CD1-CD2 3.5Å; L205-W409 HydrophobicContact CD1-CE3 3.99Å; L205-W409 HydrophobicContact CD1-CG 3.39Å; L205-W409 HydrophobicContact CG-CD2 4.5Å; L205-W409 HydrophobicContact CG-CG 4.23Å; F207-W409 HydrophobicContact CZ-CB 4.42Å; L245-W409 HydrophobicContact CD2-CE3 4.25Å; L245-W409 HydrophobicContact CD2-CH2 3.91Å; L245-W409 HydrophobicContact CD2-CZ3 3.52Å; K320-W409 CarbonylContact C-O 3.56Å; K320-W409 WeakPolarHBondContact CA-O 3.1Å; A321-W409 PolarHBondContact N-O 2.69Å; A321-W409 PolarHBondContact O-N 3.41Å; V407-W409 HydrophobicContact CB-CH2 4.12Å; V407-W409 HydrophobicContact CB-CZ3 4.32Å; V407-W409 HydrophobicContact CG1-CD2 4.33Å; V407-W409 HydrophobicContact CG1-CE3 4.31Å; V407-W409 HydrophobicContact CG1-CH2 3.44Å; V407-W409 VanDerWaalsContact CG1-CH2 3.44Å; V407-W409 HydrophobicContact CG1-CZ2 3.45Å; V407-W409 VanDerWaalsContact CG1-CZ2 3.45Å; V407-W409 HydrophobicContact CG1-CZ3 3.89Å; V407-W409 VanDerWaalsContact O-CZ3 3.31Å; V407-W409 WeakPolarHBondContact O-CZ3 3.15Å |
| 410 | E | 91.9 | Very high | 75.5 | Confident | 110 Ų | 110 | 69.8 Ų | 69.8 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.3 | -177.2 | -55.3 | -168.2 | 124.3 | 0 | 0 | 111.4 | H318 L319 K320 E408 | H318-E410 IonicContact CE1-OE1 3.64Å; H318-E410 PolarHBondContact CE1-OE1 3.12Å; L319-E410 CarbonylContact O-C 3.56Å; L319-E410 VanDerWaalsContact O-CA 3.31Å; L319-E410 WeakPolarHBondContact O-CA 3.35Å; K320-E410 WeakPolarHBondContact CE-OE1 3.33Å; K320-E410 HydrophobicContact CG-CG 4.37Å; K320-E410 IonicContact NZ-OE1 3.19Å; K320-E410 PolarHBondContact NZ-OE1 2.66Å; E408-E410 HydrophobicContact CG-CG 4.42Å |
| 411 | G | 91.3 | Very high | 77.9 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 137.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L319 | L319-G411 WeakPolarHBondContact CB-O 3.32Å; L319-G411 PolarHBondContact N-O 3.17Å; L319-G411 PolarHBondContact O-N 3.2Å |
| 412 | D | 92.8 | Very high | 79.8 | Confident | 106 Ų | 106 | 67.1 Ų | 67.1 | 57% | 0.567 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 137.4 | 172.8 | -68.1 | -68.7 | 0 | 0 | 0 | 111.8 | T316 C317 H318 | T316-D412 HydrophobicContact CG2-CB 4.27Å; C317-D412 WeakPolarHBondContact O-CA 3.25Å; H318-D412 WeakPolarHBondContact CA-OD1 3.28Å; H318-D412 WeakPolarHBondContact CB-OD1 3.3Å; H318-D412 IonicContact CD2-OD1 2.77Å; H318-D412 PolarHBondContact CD2-OD1 3.23Å; H318-D412 IonicContact CD2-OD2 2.96Å; H318-D412 IonicContact CG-OD1 2.67Å |
| 413 | V | 95.1 | Very high | 81.7 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 133.2 | 173.5 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | F207 M209 T316 C317 L319 | F207-V413 HydrophobicContact CB-CG2 3.9Å; M209-V413 HydrophobicContact CB-CG1 3.82Å; M209-V413 HydrophobicContact CG-CB 3.93Å; M209-V413 HydrophobicContact CG-CG1 3.64Å; M209-V413 HydrophobicContact SD-CB 3.74Å; M209-V413 HydrophobicContact SD-CG1 3.79Å; M209-V413 VanDerWaalsContact SD-O 3.39Å; T316-V413 WeakPolarHBondContact CA-O 3.5Å; C317-V413 PolarHBondContact N-O 3.19Å; C317-V413 PolarHBondContact O-N 3.15Å; L319-V413 HydrophobicContact CD1-CB 4.01Å; L319-V413 HydrophobicContact CD1-CG2 3.77Å |
| 414 | T | 95.1 | Very high | 83.2 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.8 | -179.3 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | Y314 I315 T316 | Y314-T414 HydrophobicContact CD1-CG2 4.2Å; I315-T414 CarbonylContact O-C 3.34Å; I315-T414 WeakPolarHBondContact O-CA 3.26Å; T316-T414 WeakPolarHBondContact OG1-CB 3.43Å; T316-T414 WeakPolarHBondContact OG1-CG2 3.46Å; T316-T414 PolarHBondContact OG1-OG1 2.9Å |
| 415 | L | 94 | Very high | 83.5 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.2 | 165.7 | -69.4 | 179.8 | 0 | 0 | 0 | 110.7 | M209 L211 I233 Y314 I315 I418 | M209-L415 HydrophobicContact CB-CD1 3.99Å; M209-L415 HydrophobicContact CB-CD2 3.93Å; M209-L415 HydrophobicContact CB-CG 3.85Å; M209-L415 HydrophobicContact CE-CD1 3.84Å; M209-L415 HydrophobicContact CE-CG 4.09Å; L211-L415 HydrophobicContact CD2-CD1 3.92Å; L211-L415 HydrophobicContact CG-CD1 4.14Å; I233-L415 HydrophobicContact CG1-CD1 4.28Å; I233-L415 HydrophobicContact CG2-CD1 4.14Å; Y314-L415 CarbonylContact C-O 3.3Å; Y314-L415 VanDerWaalsContact CA-O 3.3Å; Y314-L415 WeakPolarHBondContact CA-O 3.29Å; I315-L415 PolarHBondContact N-O 2.68Å; I315-L415 PolarHBondContact O-N 3.39Å; L415-I418 HydrophobicContact CB-CD1 4.41Å |
| 416 | G | 88.3 | Confident | 84.9 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.2 | 179.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 417 | P | 91.6 | Very high | 85.9 | Confident | 58 Ų | 58 | 73.2 Ų | 73.2 | 38% | 0.377 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -70.9 | 141.5 | -0.8 | 27.9 | -34.1 | 0 | 0 | 0 | 113 | L312 Y314 P419 | L312-P417 HydrophobicContact CB-CB 4.46Å; L312-P417 HydrophobicContact CD1-CB 4.16Å; L312-P417 HydrophobicContact CD2-CB 4.32Å; Y314-P417 HydrophobicContact CE1-CB 4.09Å; Y314-P417 HydrophobicContact CE2-CB 4.2Å; P417-P419 WeakPolarHBondContact O-CD 3.42Å |
| 418 | I | 93.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 99.8 | 176.2 | -52.5 | -177.4 | 0 | 0 | 0 | 108.2 | L211 Y223 Y225 L312 I313 I315 L415 I420 | L211-I418 HydrophobicContact CD1-CD1 4.17Å; L211-I418 HydrophobicContact CD1-CG1 4.32Å; L211-I418 HydrophobicContact CD2-CD1 4.28Å; Y223-I418 WeakPolarHBondContact O-CG2 3.38Å; Y225-I418 HydrophobicContact CD2-CG2 3.66Å; Y225-I418 HydrophobicContact CE2-CG2 4.04Å; L312-I418 WeakPolarHBondContact CA-O 3.38Å; I313-I418 HydrophobicContact CG1-CB 3.95Å; I313-I418 HydrophobicContact CG1-CG2 4.47Å; I313-I418 PolarHBondContact N-O 2.9Å; I313-I418 PolarHBondContact O-N 2.93Å; I315-I418 HydrophobicContact CD1-CD1 3.93Å; I315-I418 HydrophobicContact CG1-CD1 4.35Å; L415-I418 HydrophobicContact CB-CD1 4.41Å; I418-I420 HydrophobicContact CG2-CD1 4.48Å; I418-I420 HydrophobicContact CG2-CG1 4.19Å; I418-I420 PolarHBondContact O-N 3.4Å |
| 419 | P | 91.4 | Very high | 86.8 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 118.8 | 172.7 | 21.9 | -30.1 | 0 | 0 | 0 | 112.4 | Y223 Q224 Y225 L312 P417 | Y223-P419 VanDerWaalsContact O-CD 3.3Å; Y223-P419 WeakPolarHBondContact O-CD 3.35Å; Q224-P419 WeakPolarHBondContact CA-O 3.29Å; Q224-P419 HydrophobicContact CB-CG 4.14Å; Q224-P419 HydrophobicContact CG-CG 4.41Å; Y225-P419 PolarHBondContact N-O 2.74Å; L312-P419 HydrophobicContact CD2-CB 3.7Å; L312-P419 HydrophobicContact CD2-CG 4.39Å; P417-P419 WeakPolarHBondContact O-CD 3.42Å |
| 420 | I | 91 | Very high | 86.8 | Confident | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.8 | 176.9 | -62.8 | 174.8 | 0 | 0 | 0 | 108.6 | Y225 L227 I231 A302 F303 G311 I313 I418 | Y225-I420 WeakPolarHBondContact O-CA 3.43Å; L227-I420 HydrophobicContact CD2-CG2 3.71Å; L227-I420 HydrophobicContact CG-CG2 4.33Å; I231-I420 HydrophobicContact CD1-CD1 3.94Å; A302-I420 HydrophobicContact CB-CD1 4.24Å; A302-I420 HydrophobicContact CB-CG2 4.15Å; F303-I420 WeakPolarHBondContact O-CD1 3.38Å; G311-I420 PolarHBondContact O-N 2.79Å; I313-I420 HydrophobicContact CD1-CD1 3.5Å; I313-I420 HydrophobicContact CG1-CD1 3.73Å; I313-I420 HydrophobicContact CG2-CD1 4.4Å; I418-I420 HydrophobicContact CG2-CD1 4.48Å; I418-I420 HydrophobicContact CG2-CG1 4.19Å; I418-I420 PolarHBondContact O-N 3.4Å |
| 421 | M | 87.1 | Confident | 86.4 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 34% | 0.34 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 164.9 | -172 | -56.8 | -168.2 | -52.5 | 0 | 0 | 112.8 | Q224 Y225 F226 L227 | Q224-M421 HydrophobicContact CG-CE 3.76Å; Q224-M421 HydrophobicContact CG-SD 4.38Å; Q224-M421 PolarHBondContact NE2-SD 3.42Å; Q224-M421 VanDerWaalsContact NE2-SD 3.39Å; Y225-M421 PolarHBondContact O-N 3.17Å; F226-M421 CarbonylContact C-O 3.49Å; F226-M421 WeakPolarHBondContact CA-O 3.43Å; F226-M421 HydrophobicContact CD1-CB 3.85Å; F226-M421 HydrophobicContact CD1-CE 4.28Å; F226-M421 HydrophobicContact CE1-CB 4.03Å; F226-M421 HydrophobicContact CE1-CE 3.5Å; F226-M421 HydrophobicContact CE2-CE 4.24Å; F226-M421 HydrophobicContact CZ-CE 3.47Å; F226-M421 VanDerWaalsContact CZ-CE 3.47Å; L227-M421 PolarHBondContact N-O 3.48Å |
| 422 | E | 83.8 | Confident | 86.1 | Confident | 113 Ų | 113 | 77.4 Ų | 77.4 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | trans | -89 | 134.5 | 172.9 | -56.6 | -169.8 | 160 | 0 | 0 | 109.9 | L227 R304 K424 | L227-E422 HydrophobicContact CD1-CG 3.99Å; R304-E422 IonicContact CZ-OE1 3.21Å; R304-E422 IonicContact NE-OE1 2.9Å; R304-E422 PolarHBondContact NE-OE1 3.23Å; R304-E422 IonicContact NH2-OE1 2.68Å; R304-E422 PolarHBondContact NH2-OE1 3.48Å; E422-K424 PolarHBondContact O-N 2.91Å | ||
| 423 | K | 78.8 | Confident | 85.6 | Confident | 105 Ų | 105 | 75.2 Ų | 75.2 | 46% | 0.457 | 39% | 0.392 | S | S | . | . | trans | -68.7 | 116.6 | 175 | -64 | -175.8 | 168.7 | 110.6 | 0 | 107.9 | F226 L227 D229 L425 | F226-K423 HydrophobicContact CB-CD 4.25Å; F226-K423 HydrophobicContact CB-CG 3.6Å; F226-K423 HydrophobicContact CD1-CG 3.84Å; F226-K423 HydrophobicContact CG-CG 3.91Å; L227-K423 PolarHBondContact O-NZ 3.21Å; D229-K423 VanDerWaalsContact OD1-CE 3.27Å; D229-K423 WeakPolarHBondContact OD1-CE 3.38Å; D229-K423 IonicContact OD1-NZ 2.7Å; D229-K423 PolarHBondContact OD1-NZ 3.24Å; K423-L425 PolarHBondContact O-N 3.13Å | ||
| 424 | K | 69.8 | Low | 84.8 | Confident | 212 Ų | 212 | 78.8 Ų | 78.8 | 92% | 0.922 | 41% | 0.408 | S | S | * | . | trans | -69.1 | 112.9 | 171.1 | -70.9 | -173.1 | 177.7 | -178.1 | 0 | 108.6 | E422 | E422-K424 PolarHBondContact O-N 2.91Š| ||
| 425 | L | 53.1 | Low | 83.9 | Confident | 247 Ų | 247 | 80.3 Ų | 80.3 | 100% | 1.293 | 41% | 0.411 | S | S | * | . | trans | -68.4 | 0 | 170.2 | -68.6 | 162.7 | 0 | 0 | 0 | 111.1 | K423 | K423-L425 PolarHBondContact O-N 3.13Š|
Retrieved 425 of 425 residues in 613 ms
(Link to these results)