| 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 | 46.4 | Very low | 51.5 | Low | 238 Ų | 238 | 161.3 Ų | 161.3 | 100% | 1.172 | 84% | 0.844 | S | S | * | * | 0 | 85.2 | 0 | -87.6 | -82.7 | -174.6 | 0 | 0 | 108.1 | |||||
| 2 | T | 45.4 | Very low | 51.7 | Low | 133 Ų | 133 | 161.1 Ų | 161.1 | 82% | 0.816 | 83% | 0.831 | S | S | * | * | trans | -155.9 | 113.5 | 169.9 | 40.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | L | 42.9 | Very low | 52.2 | Low | 162 Ų | 162 | 162.6 Ų | 162.6 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | trans | 41 | 108 | 147.2 | -85.9 | 59.5 | 0 | 0 | 0 | 117.6 | ||||
| 4 | L | 43.8 | Very low | 52.5 | Low | 163 Ų | 163 | 160.2 Ų | 160.2 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | 35.8 | 110.5 | 68.5 | -93.2 | 80.1 | 0 | 0 | 0 | 114 | |||||
| 5 | E | 53.6 | Low | 51.8 | Low | 147 Ų | 147 | 154.3 Ų | 154.3 | 69% | 0.687 | 82% | 0.817 | S | S | * | * | 179.9 | 124.8 | 114.8 | -92.7 | -170.4 | 134.9 | 0 | 0 | 113.9 | |||||
| 6 | K | 54.2 | Low | 51.4 | Low | 163 Ų | 163 | 153.9 Ų | 153.9 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | trans | 61.3 | 105 | 133.9 | -61.5 | 169 | 178.1 | 164.8 | 0 | 120.2 | ||||
| 7 | T | 54.2 | Low | 51.6 | Low | 138 Ų | 138 | 153.9 Ų | 153.9 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | -115.8 | 96 | 155.1 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | D | 55.9 | Low | 51.3 | Low | 154 Ų | 154 | 150.8 Ų | 150.8 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -112.2 | 102.8 | 165.9 | -88.7 | -64.5 | 0 | 0 | 0 | 107.6 | ||||
| 9 | S | 59.7 | Low | 50.7 | Low | 118 Ų | 118 | 146.8 Ų | 146.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -117.7 | 95.4 | 170.9 | -67.2 | 0 | 0 | 0 | 0 | 108.1 | L11 | S9-L11 PolarHBondContact O-N 3.43Š| ||
| 10 | K | 56.3 | Low | 50.6 | Low | 199 Ų | 199 | 149.5 Ų | 149.5 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -87 | 95.1 | 178.4 | -171.9 | 166.1 | -177.8 | 172.5 | 0 | 108.4 | K12 | K10-K12 PolarHBondContact O-N 3.21Š| ||
| 11 | L | 53.7 | Low | 50.2 | Low | 159 Ų | 159 | 150 Ų | 150 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -73.4 | 114.3 | 168.5 | -80.1 | 158.3 | 0 | 0 | 0 | 108.6 | S9 | S9-L11 PolarHBondContact O-N 3.43Š| ||
| 12 | K | 54.9 | Low | 51 | Low | 159 Ų | 159 | 144.1 Ų | 144.1 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -116.8 | 100.6 | 170.3 | -179.7 | 177.1 | 175.1 | 170.4 | 0 | 105.2 | K10 D14 | K10-K12 PolarHBondContact O-N 3.21Å; K12-D14 WeakPolarHBondContact CE-OD1 3.32Å | ||
| 13 | E | 58.2 | Low | 50.9 | Low | 181 Ų | 181 | 145.6 Ų | 145.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -98.7 | 110.2 | 167 | -72.9 | -170.4 | 160.6 | 0 | 0 | 107.2 | ||||
| 14 | D | 56.1 | Low | 51.4 | Low | 129 Ų | 129 | 146.4 Ų | 146.4 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | trans | -69.3 | 141.9 | 177.6 | -68.2 | -56.6 | 0 | 0 | 0 | 110.2 | K12 | K12-D14 WeakPolarHBondContact CE-OD1 3.32Š| ||
| 15 | G | 42.1 | Very low | 51.2 | Low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -81 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 16 | D | 45.1 | Very low | 50.4 | Low | 148 Ų | 148 | 144.4 Ų | 144.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 71.4 | 98.5 | 153.7 | -155 | 39.1 | 0 | 0 | 0 | 117.3 | ||||
| 17 | N | 54.2 | Low | 50 | Low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -118.2 | 106.5 | 152.5 | -166.5 | 13.4 | 0 | 0 | 0 | 109.6 | ||||
| 18 | T | 47.5 | Very low | 49.3 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 60% | 0.595 | 80% | 0.8 | S | S | * | * | trans | -45.6 | 142.7 | 171.9 | 48 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 19 | G | 39.2 | Very low | 48.6 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 153.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 20 | K | 49.2 | Very low | 47.7 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -158.6 | 99.5 | 163 | -148.6 | 173.7 | -171.4 | 175.7 | 0 | 109.1 | P22 | K20-P22 WeakPolarHBondContact O-CD 3.43Š| ||
| 21 | D | 42.7 | Very low | 47.2 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -75.5 | 133.4 | 159.2 | -64.6 | -59.8 | 0 | 0 | 0 | 108.9 | ||||
| 22 | P | 63 | Low | 46.7 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -125.2 | 114.9 | 148.8 | 30.7 | -15.9 | 0 | 0 | 0 | 109.9 | K20 H24 | K20-P22 WeakPolarHBondContact O-CD 3.43Å; P22-H24 PolarHBondContact O-N 2.94Å | ||
| 23 | D | 42 | Very low | 46.3 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -51.2 | 113.3 | 158.2 | -64.5 | -69.3 | 0 | 0 | 0 | 110.3 | ||||
| 24 | H | 53.8 | Low | 46 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -111.9 | 96.4 | 159 | -154 | -33.2 | 0 | 0 | 0 | 109.5 | P22 | P22-H24 PolarHBondContact O-N 2.94Š| ||
| 25 | K | 39.1 | Very low | 45.7 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -64.2 | 137.5 | 158 | -89.5 | -180 | 172.7 | 176.9 | 0 | 110 | ||||
| 26 | G | 36.4 | Very low | 46 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | 112.2 | 101.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 27 | N | 46.5 | Very low | 46.3 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | -165.1 | 118.9 | 114.4 | -168.5 | 40.8 | 0 | 0 | 0 | 109.1 | G29 | N27-G29 PolarHBondContact O-N 3.32Š| |||
| 28 | E | 39.3 | Very low | 46.1 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -70.6 | 110.4 | 170 | -67.4 | 169.2 | 154.5 | 0 | 0 | 107.7 | ||||
| 29 | G | 42.8 | Very low | 46.5 | Very low | 72 Ų | 72 | 140.4 Ų | 140.4 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -121.8 | 86.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | N27 S31 | N27-G29 PolarHBondContact O-N 3.32Å; G29-S31 PolarHBondContact O-N 2.95Å | ||
| 30 | D | 39.9 | Very low | 47 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -66.5 | 112.5 | 170.7 | -175.6 | 20.9 | 0 | 0 | 0 | 109.9 | ||||
| 31 | S | 45.5 | Very low | 47 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -157.9 | 108.3 | 153.7 | -83.3 | 0 | 0 | 0 | 0 | 108.5 | G29 | G29-S31 PolarHBondContact O-N 2.95Š| ||
| 32 | A | 43.1 | Very low | 47.1 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 60% | 0.595 | 78% | 0.777 | S | S | * | * | trans | -65.6 | 166.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 33 | D | 45.8 | Very low | 46.3 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 77.5 | 86.4 | 154.2 | -54.9 | -38.5 | 0 | 0 | 0 | 118 | ||||
| 34 | D | 52.3 | Low | 46.3 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -143.5 | 100.3 | 130.3 | -163.6 | 23.4 | 0 | 0 | 0 | 109.8 | S36 | D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 PolarHBondContact O-N 2.99Å | ||
| 35 | E | 49.8 | Very low | 45.9 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -63.8 | 78.2 | 174.5 | -69.6 | -86.6 | 178.9 | 0 | 0 | 110.1 | D37 | E35-D37 PolarHBondContact O-N 2.89Š| ||
| 36 | S | 49.2 | Very low | 46.1 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -85.8 | 89.7 | 167.1 | 72.9 | 0 | 0 | 0 | 0 | 109.4 | D34 H38 | D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 PolarHBondContact O-N 2.99Å; S36-H38 PolarHBondContact O-N 2.88Å | ||
| 37 | D | 50.6 | Low | 46.7 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -11.4 | 92.8 | 165.8 | -76.8 | -47.6 | 0 | 0 | 0 | 114.2 | E35 D39 | E35-D37 PolarHBondContact O-N 2.89Å; D37-D39 PolarHBondContact O-N 2.66Å | ||
| 38 | H | 51.5 | Low | 47.2 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | trans | -75.4 | 83.9 | 161.5 | -164 | 16.3 | 0 | 0 | 0 | 106.8 | S36 S40 | S36-H38 PolarHBondContact O-N 2.88Å; H38-S40 VanDerWaalsContact C-N 3.29Å; H38-S40 PolarHBondContact O-N 3.05Å; H38-S40 PolarHBondContact O-OG 2.82Å | ||
| 39 | D | 55.9 | Low | 48.1 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | -53.6 | 98.8 | 174.3 | -124.1 | -25 | 0 | 0 | 0 | 107.7 | D37 Q41 | D37-D39 PolarHBondContact O-N 2.66Å; D39-Q41 PolarHBondContact O-N 3.19Å | ||
| 40 | S | 48.4 | Very low | 49.1 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -60.4 | 131.3 | -167.9 | -70.1 | 0 | 0 | 0 | 0 | 108.3 | H38 S42 | H38-S40 VanDerWaalsContact C-N 3.29Å; H38-S40 PolarHBondContact O-N 3.05Å; H38-S40 PolarHBondContact O-OG 2.82Å; S40-S42 PolarHBondContact O-N 3.15Å | ||
| 41 | Q | 48.8 | Very low | 50.7 | Low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | trans | -54.4 | 94.1 | 167.8 | -64.5 | -177.6 | -95.1 | 0 | 0 | 107.5 | D39 E43 | D39-Q41 PolarHBondContact O-N 3.19Å; Q41-E43 VanDerWaalsContact CB-OE1 3.28Å; Q41-E43 WeakPolarHBondContact CB-OE1 3.48Å; Q41-E43 PolarHBondContact O-N 3.22Å | ||
| 42 | S | 44.8 | Very low | 51.8 | Low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -72.3 | 82.7 | 163.8 | 179.9 | 0 | 0 | 0 | 0 | 105.9 | S40 S44 | S40-S42 PolarHBondContact O-N 3.15Å; S42-S44 PolarHBondContact O-N 3.27Å | ||
| 43 | E | 47.2 | Very low | 53.1 | Low | 152 Ų | 152 | 136.5 Ų | 136.5 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | trans | -61.1 | 64.3 | 152.9 | 36.5 | -132.1 | 94.6 | 0 | 0 | 109.6 | Q41 E45 | Q41-E43 VanDerWaalsContact CB-OE1 3.28Å; Q41-E43 WeakPolarHBondContact CB-OE1 3.48Å; Q41-E43 PolarHBondContact O-N 3.22Å; E43-E45 VanDerWaalsContact C-N 3.28Å; E43-E45 PolarHBondContact O-N 3.34Å; E43-E45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | S | 42.7 | Very low | 54 | Low | 76 Ų | 76 | 135.1 Ų | 135.1 | 53% | 0.531 | 71% | 0.712 | S | S | . | * | trans | -80.1 | 89.2 | 158.9 | -171.9 | 0 | 0 | 0 | 0 | 106.9 | S42 G46 | S42-S44 PolarHBondContact O-N 3.27Å; S44-G46 PolarHBondContact O-N 2.72Å | ||
| 45 | E | 45.3 | Very low | 54.7 | Low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | trans | -66 | 60.9 | 157.5 | -59.1 | -160.6 | 135.1 | 0 | 0 | 109.3 | E43 | E43-E45 VanDerWaalsContact C-N 3.28Å; E43-E45 PolarHBondContact O-N 3.34Å; E43-E45 VanDerWaalsContact O-N 3.15Å | ||
| 46 | G | 42 | Very low | 55.8 | Low | 41 Ų | 41 | 133 Ų | 133 | 42% | 0.423 | 69% | 0.694 | S | S | . | * | trans | -95.3 | 97 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | S44 Q48 | S44-G46 PolarHBondContact O-N 2.72Å; G46-Q48 PolarHBondContact O-N 2.75Å | ||
| 47 | E | 49 | Very low | 56.8 | Low | 194 Ų | 194 | 132.7 Ų | 132.7 | 91% | 0.907 | 69% | 0.688 | S | S | * | * | trans | -59.1 | 75.6 | 158.8 | -62.9 | 179.1 | 125 | 0 | 0 | 108.2 | Q49 | E47-Q49 PolarHBondContact O-N 3.32Š| ||
| 48 | Q | 56.4 | Low | 57.2 | Low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | trans | -74.1 | 77.5 | 172.2 | -71.8 | -176.7 | 8.6 | 0 | 0 | 107 | G46 V50 | G46-Q48 PolarHBondContact O-N 2.75Å; Q48-V50 PolarHBondContact O-N 2.91Å; Q48-V50 VanDerWaalsContact O-N 3.09Å | ||
| 49 | Q | 58.8 | Low | 57.7 | Low | 176 Ų | 176 | 121.8 Ų | 121.8 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | trans | -55.6 | 113.5 | 161.6 | -168.9 | 174.1 | 49.1 | 0 | 0 | 106.2 | E47 T51 | E47-Q49 PolarHBondContact O-N 3.32Å; Q49-T51 PolarHBondContact O-N 3.19Å | ||
| 50 | V | 63.4 | Low | 58 | Low | 98 Ų | 98 | 119 Ų | 119 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | trans | -52.7 | 110.7 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | Q48 Q54 | Q48-V50 PolarHBondContact O-N 2.91Å; Q48-V50 VanDerWaalsContact O-N 3.09Å; V50-Q54 HydrophobicContact CG1-CB 3.94Å | ||
| 51 | T | 73.3 | Confident | 58.8 | Low | 83 Ų | 83 | 117.2 Ų | 117.2 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | trans | -67.4 | 149.2 | -173.1 | -10.9 | 0 | 0 | 0 | 0 | 109 | Q49 Q53 Q54 K55 | Q49-T51 PolarHBondContact O-N 3.19Å; T51-Q53 PolarHBondContact O-N 3.35Å; T51-Q54 WeakPolarHBondContact O-CB 3.49Å; T51-Q54 PolarHBondContact O-N 3.1Å; T51-K55 PolarHBondContact O-N 3.23Å | ||
| 52 | Q | 70.6 | Confident | 59 | Low | 161 Ų | 161 | 113 Ų | 113 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -52.3 | -32.7 | 175.7 | -78.8 | -169.7 | -3.7 | 0 | 0 | 112.4 | K55 Q56 | Q52-K55 WeakPolarHBondContact O-CB 3.33Å; Q52-K55 PolarHBondContact O-N 3.4Å; Q52-Q56 PolarHBondContact O-N 3.49Å |
| 53 | Q | 69.4 | Low | 59.4 | Low | 144 Ų | 144 | 112 Ų | 112 | 67% | 0.673 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.6 | -46.3 | 173.4 | -102 | 171.3 | -20 | 0 | 0 | 112.9 | T51 K55 Q56 V57 | T51-Q53 PolarHBondContact O-N 3.35Å; Q53-K55 PolarHBondContact O-N 3.14Å; Q53-Q56 PolarHBondContact O-N 3.4Å; Q53-Q56 VanDerWaalsContact O-N 3.17Å; Q53-V57 WeakPolarHBondContact O-CG2 3.34Å; Q53-V57 PolarHBondContact O-N 2.97Å |
| 54 | Q | 65.4 | Low | 59.7 | Low | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.7 | -34.3 | 177.2 | -121.8 | 168.9 | -3 | 0 | 0 | 111.5 | V50 T51 A58 | V50-Q54 HydrophobicContact CG1-CB 3.94Å; T51-Q54 WeakPolarHBondContact O-CB 3.49Å; T51-Q54 PolarHBondContact O-N 3.1Å; Q54-A58 VanDerWaalsContact O-CB 3.29Å; Q54-A58 WeakPolarHBondContact O-CB 3.26Å; Q54-A58 PolarHBondContact O-N 3.38Å |
| 55 | K | 67.1 | Low | 60.3 | Low | 133 Ų | 133 | 114.6 Ų | 114.6 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.8 | -40.2 | 174.7 | -146.6 | 177.7 | -175.3 | -176.4 | 0 | 111.9 | T51 Q52 Q53 A59 V67 | T51-K55 PolarHBondContact O-N 3.23Å; Q52-K55 WeakPolarHBondContact O-CB 3.33Å; Q52-K55 PolarHBondContact O-N 3.4Å; Q53-K55 PolarHBondContact O-N 3.14Å; K55-A59 WeakPolarHBondContact O-CB 3.43Å; K55-A59 PolarHBondContact O-N 3.47Å; K55-V67 HydrophobicContact CG-CG1 4.47Å |
| 56 | Q | 71.9 | Confident | 60.5 | Low | 134 Ų | 134 | 112.5 Ų | 112.5 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.3 | -41.5 | 174.8 | -80.4 | 178.8 | -13.3 | 0 | 0 | 112.6 | Q52 Q53 A59 A60 | Q52-Q56 PolarHBondContact O-N 3.49Å; Q53-Q56 PolarHBondContact O-N 3.4Å; Q53-Q56 VanDerWaalsContact O-N 3.17Å; Q56-A59 PolarHBondContact O-N 2.77Å; Q56-A60 WeakPolarHBondContact O-CB 3.37Å; Q56-A60 PolarHBondContact O-N 3.27Å |
| 57 | V | 69.8 | Low | 60.9 | Low | 100 Ų | 100 | 113 Ų | 113 | 61% | 0.606 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.2 | -39.5 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | Q53 A60 A61 | Q53-V57 WeakPolarHBondContact O-CG2 3.34Å; Q53-V57 PolarHBondContact O-N 2.97Å; V57-A60 PolarHBondContact O-N 2.95Å; V57-A61 WeakPolarHBondContact O-CB 3.34Å; V57-A61 PolarHBondContact O-N 2.76Å |
| 58 | A | 59.3 | Low | 61.1 | Low | 25 Ų | 25 | 106.5 Ų | 106.5 | 21% | 0.207 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -65.7 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q54 A61 L63 V67 | Q54-A58 VanDerWaalsContact O-CB 3.29Å; Q54-A58 WeakPolarHBondContact O-CB 3.26Å; Q54-A58 PolarHBondContact O-N 3.38Å; A58-A61 PolarHBondContact O-N 2.7Å; A58-L63 PolarHBondContact O-N 2.8Å; A58-L63 VanDerWaalsContact O-N 3.1Å; A58-V67 HydrophobicContact CB-CG2 3.74Å |
| 59 | A | 61.6 | Low | 60.9 | Low | 57 Ų | 57 | 103.7 Ų | 103.7 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K55 Q56 A61 G62 | K55-A59 WeakPolarHBondContact O-CB 3.43Å; K55-A59 PolarHBondContact O-N 3.47Å; Q56-A59 PolarHBondContact O-N 2.77Å; A59-A61 VanDerWaalsContact C-N 3.3Å; A59-A61 PolarHBondContact O-N 2.63Å; A59-G62 PolarHBondContact O-N 3.16Å |
| 60 | A | 63.8 | Low | 60.6 | Low | 92 Ų | 92 | 98.4 Ų | 98.4 | 76% | 0.76 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.4 | -30.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q56 V57 G62 | Q56-A60 WeakPolarHBondContact O-CB 3.37Å; Q56-A60 PolarHBondContact O-N 3.27Å; V57-A60 PolarHBondContact O-N 2.95Å; A60-G62 VanDerWaalsContact C-N 3.25Å; A60-G62 PolarHBondContact O-N 3.42Å |
| 61 | A | 64 | Low | 60.4 | Low | 65 Ų | 65 | 97.3 Ų | 97.3 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | 5.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | V57 A58 A59 L63 | V57-A61 WeakPolarHBondContact O-CB 3.34Å; V57-A61 PolarHBondContact O-N 2.76Å; A58-A61 PolarHBondContact O-N 2.7Å; A59-A61 VanDerWaalsContact C-N 3.3Å; A59-A61 PolarHBondContact O-N 2.63Å; A61-L63 PolarHBondContact O-N 2.84Å; A61-L63 VanDerWaalsContact O-N 3.14Å |
| 62 | G | 53.9 | Low | 60.3 | Low | 66 Ų | 66 | 99.5 Ų | 99.5 | 68% | 0.68 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.4 | 15.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A59 A60 E64 | A59-G62 PolarHBondContact O-N 3.16Å; A60-G62 VanDerWaalsContact C-N 3.25Å; A60-G62 PolarHBondContact O-N 3.42Å; G62-E64 VanDerWaalsContact C-N 3.25Å; G62-E64 PolarHBondContact O-N 2.79Å |
| 63 | L | 53.1 | Low | 60.9 | Low | 84 Ų | 84 | 94.9 Ų | 94.9 | 44% | 0.44 | 55% | 0.549 | S | S | . | . | trans | -93.1 | 31.8 | -178.3 | -110.2 | 84.2 | 0 | 0 | 0 | 111.8 | A58 A61 E65 Q66 | A58-L63 PolarHBondContact O-N 2.8Å; A58-L63 VanDerWaalsContact O-N 3.1Å; A61-L63 PolarHBondContact O-N 2.84Å; A61-L63 VanDerWaalsContact O-N 3.14Å; L63-E65 PolarHBondContact O-N 3.36Å; L63-Q66 HydrophobicContact CD2-CB 4.45Å; L63-Q66 PolarHBondContact O-N 3.38Å | ||
| 64 | E | 53.6 | Low | 61.8 | Low | 146 Ų | 146 | 90.8 Ų | 90.8 | 68% | 0.682 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.9 | -30.1 | -179.1 | -130.8 | -179.3 | 175 | 0 | 0 | 112 | G62 Q66 V67 A68 | G62-E64 VanDerWaalsContact C-N 3.25Å; G62-E64 PolarHBondContact O-N 2.79Å; E64-Q66 PolarHBondContact O-N 3.28Å; E64-V67 PolarHBondContact O-N 3.3Å; E64-A68 PolarHBondContact O-N 2.89Å |
| 65 | E | 54.2 | Low | 62.9 | Low | 136 Ų | 136 | 93.9 Ų | 93.9 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -28.5 | 177 | -158.1 | -169.6 | 132.4 | 0 | 0 | 112.8 | L63 K69 | L63-E65 PolarHBondContact O-N 3.36Å; E65-K69 PolarHBondContact O-N 3.09Å; E65-K69 IonicContact OE1-NZ 2.74Å; E65-K69 PolarHBondContact OE1-NZ 3.08Å |
| 66 | Q | 50.1 | Low | 64 | Low | 140 Ų | 140 | 91.6 Ų | 91.6 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74.5 | -33.3 | 176.5 | -108.2 | -171.1 | 19.9 | 0 | 0 | 112.3 | L63 E64 K69 A70 | L63-Q66 HydrophobicContact CD2-CB 4.45Å; L63-Q66 PolarHBondContact O-N 3.38Å; E64-Q66 PolarHBondContact O-N 3.28Å; Q66-K69 PolarHBondContact O-N 2.83Å; Q66-A70 PolarHBondContact O-N 2.91Å |
| 67 | V | 50.6 | Low | 64.8 | Low | 50 Ų | 50 | 86.9 Ų | 86.9 | 30% | 0.303 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.4 | -38.1 | -178.1 | -168.6 | 0 | 0 | 0 | 0 | 111.1 | K55 A58 E64 K69 A70 G71 | K55-V67 HydrophobicContact CG-CG1 4.47Å; A58-V67 HydrophobicContact CB-CG2 3.74Å; E64-V67 PolarHBondContact O-N 3.3Å; V67-K69 PolarHBondContact O-N 2.98Å; V67-A70 WeakPolarHBondContact O-CB 3.34Å; V67-A70 PolarHBondContact O-N 2.84Å; V67-A70 VanDerWaalsContact O-N 3.09Å; V67-G71 PolarHBondContact O-N 2.8Å |
| 68 | A | 52.8 | Low | 65.8 | Low | 59 Ų | 59 | 89.1 Ų | 89.1 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -28.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E64 K72 | E64-A68 PolarHBondContact O-N 2.89Å; A68-K72 WeakPolarHBondContact O-CD 3.44Å; A68-K72 WeakPolarHBondContact O-CE 3.25Å |
| 69 | K | 52.8 | Low | 67.4 | Low | 112 Ų | 112 | 94.3 Ų | 94.3 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -78.6 | -29.6 | 170.8 | -76.7 | 173.1 | 175.1 | 162.8 | 0 | 112.5 | E65 Q66 V67 G71 K72 Q73 | E65-K69 PolarHBondContact O-N 3.09Å; E65-K69 IonicContact OE1-NZ 2.74Å; E65-K69 PolarHBondContact OE1-NZ 3.08Å; Q66-K69 PolarHBondContact O-N 2.83Å; V67-K69 PolarHBondContact O-N 2.98Å; K69-G71 VanDerWaalsContact C-N 3.27Å; K69-G71 PolarHBondContact O-N 3.35Å; K69-K72 WeakPolarHBondContact O-CB 3.42Å; K69-K72 PolarHBondContact O-N 3Å; K69-Q73 PolarHBondContact O-N 2.9Å; K69-Q73 VanDerWaalsContact O-N 3.12Å |
| 70 | A | 52.8 | Low | 68.9 | Low | 66 Ų | 66 | 93.1 Ų | 93.1 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -34.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q66 V67 K72 | Q66-A70 PolarHBondContact O-N 2.91Å; V67-A70 WeakPolarHBondContact O-CB 3.34Å; V67-A70 PolarHBondContact O-N 2.84Å; V67-A70 VanDerWaalsContact O-N 3.09Å; A70-K72 PolarHBondContact O-N 2.89Å |
| 71 | G | 58.1 | Low | 70 | Confident | 74 Ų | 74 | 91 Ų | 91 | 76% | 0.763 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V67 K69 | V67-G71 PolarHBondContact O-N 2.8Å; K69-G71 VanDerWaalsContact C-N 3.27Å; K69-G71 PolarHBondContact O-N 3.35Å |
| 72 | K | 71.4 | Confident | 71.3 | Confident | 130 Ų | 130 | 94.6 Ų | 94.6 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -21.9 | -175.3 | -61.1 | 168.2 | -174.4 | 178 | 0 | 112.8 | A68 K69 A70 | A68-K72 WeakPolarHBondContact O-CD 3.44Å; A68-K72 WeakPolarHBondContact O-CE 3.25Å; K69-K72 WeakPolarHBondContact O-CB 3.42Å; K69-K72 PolarHBondContact O-N 3Å; A70-K72 PolarHBondContact O-N 2.89Å |
| 73 | Q | 83.1 | Confident | 73.1 | Confident | 63 Ų | 63 | 96.8 Ų | 96.8 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | trans | -106.7 | 114.1 | -172.6 | -171 | 175.5 | 23.5 | 0 | 0 | 112 | K69 E77 K78 | K69-Q73 PolarHBondContact O-N 2.9Å; K69-Q73 VanDerWaalsContact O-N 3.12Å; Q73-E77 HydrophobicContact CG-CB 4.05Å; Q73-E77 HydrophobicContact CG-CG 4.14Å; Q73-K78 HydrophobicContact CG-CB 4.38Å; Q73-K78 VanDerWaalsContact NE2-CA 3.31Å | ||
| 74 | S | 88.4 | Confident | 74.8 | Confident | 58 Ų | 58 | 96 Ų | 96 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | trans | -71.6 | 160.8 | 175.2 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | S76 E77 K78 | S74-S76 VanDerWaalsContact C-N 3.31Å; S74-S76 PolarHBondContact O-N 3.17Å; S74-S76 PolarHBondContact OG-OG 3.34Å; S74-S76 VanDerWaalsContact OG-OG 3.09Å; S74-E77 WeakPolarHBondContact O-CB 3.35Å; S74-E77 PolarHBondContact O-N 2.94Å; S74-E77 VanDerWaalsContact OG-CB 3.29Å; S74-E77 WeakPolarHBondContact OG-CB 3.32Å; S74-E77 PolarHBondContact OG-N 3.23Å; S74-K78 PolarHBondContact O-N 3.2Å | ||
| 75 | R | 89 | Confident | 76.2 | Confident | 182 Ų | 182 | 92.4 Ų | 92.4 | 69% | 0.687 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.6 | -39.2 | 177.2 | -172.7 | -179.3 | -176.5 | -170 | 2.4 | 112.1 | K78 K79 | R75-K78 PolarHBondContact O-N 3.21Å; R75-K79 WeakPolarHBondContact O-CG 3.36Å; R75-K79 PolarHBondContact O-N 2.91Å |
| 76 | S | 89.5 | Confident | 77.7 | Confident | 85 Ų | 85 | 93.1 Ų | 93.1 | 59% | 0.594 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.5 | -42.4 | 176.6 | 48.1 | 0 | 0 | 0 | 0 | 111.3 | S74 K78 K79 A80 | S74-S76 VanDerWaalsContact C-N 3.31Å; S74-S76 PolarHBondContact O-N 3.17Å; S74-S76 PolarHBondContact OG-OG 3.34Å; S74-S76 VanDerWaalsContact OG-OG 3.09Å; S76-K78 PolarHBondContact O-N 3.17Å; S76-K79 PolarHBondContact O-N 3.06Å; S76-A80 PolarHBondContact O-N 3.44Å |
| 77 | E | 89.3 | Confident | 79.4 | Confident | 34 Ų | 34 | 88.7 Ų | 88.7 | 16% | 0.159 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 176.6 | -167.1 | -168.7 | 143.2 | 0 | 0 | 112.2 | Q73 S74 K79 A80 R81 F127 | Q73-E77 HydrophobicContact CG-CB 4.05Å; Q73-E77 HydrophobicContact CG-CG 4.14Å; S74-E77 WeakPolarHBondContact O-CB 3.35Å; S74-E77 PolarHBondContact O-N 2.94Å; S74-E77 VanDerWaalsContact OG-CB 3.29Å; S74-E77 WeakPolarHBondContact OG-CB 3.32Å; S74-E77 PolarHBondContact OG-N 3.23Å; E77-K79 VanDerWaalsContact C-N 3.3Å; E77-K79 PolarHBondContact O-N 2.7Å; E77-A80 PolarHBondContact O-N 3.28Å; E77-R81 WeakPolarHBondContact O-CB 3.39Å; E77-R81 PolarHBondContact O-N 3.04Å; E77-R81 IonicContact OE1-CZ 3.8Å; E77-R81 IonicContact OE1-NH2 2.63Å; E77-R81 PolarHBondContact OE1-NH2 2.99Å; E77-F127 HydrophobicContact CG-CD1 3.59Å; E77-F127 HydrophobicContact CG-CE1 4.05Å |
| 78 | K | 91.1 | Very high | 81.1 | Confident | 147 Ų | 147 | 93.6 Ų | 93.6 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 176 | -167.3 | 173.8 | -177.5 | 175.2 | 0 | 112.3 | Q73 S74 R75 S76 K82 | Q73-K78 HydrophobicContact CG-CB 4.38Å; Q73-K78 VanDerWaalsContact NE2-CA 3.31Å; S74-K78 PolarHBondContact O-N 3.2Å; R75-K78 PolarHBondContact O-N 3.21Å; S76-K78 PolarHBondContact O-N 3.17Å; K78-K82 PolarHBondContact O-N 3.21Å; K78-K82 VanDerWaalsContact O-N 3.16Å |
| 79 | K | 92.6 | Very high | 82.9 | Confident | 135 Ų | 135 | 92.4 Ų | 92.4 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65 | -47.7 | 173.8 | -70.3 | -179.9 | 179.6 | -174.1 | 0 | 111.5 | R75 S76 E77 K82 L83 | R75-K79 WeakPolarHBondContact O-CG 3.36Å; R75-K79 PolarHBondContact O-N 2.91Å; S76-K79 PolarHBondContact O-N 3.06Å; E77-K79 VanDerWaalsContact C-N 3.3Å; E77-K79 PolarHBondContact O-N 2.7Å; K79-K82 PolarHBondContact O-N 3.09Å; K79-L83 PolarHBondContact O-N 2.92Å; K79-L83 VanDerWaalsContact O-N 3.08Å |
| 80 | A | 92.2 | Very high | 84.7 | Confident | 31 Ų | 31 | 94 Ų | 94 | 26% | 0.256 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S76 E77 K82 L83 F84 F127 | S76-A80 PolarHBondContact O-N 3.44Å; E77-A80 PolarHBondContact O-N 3.28Å; A80-K82 VanDerWaalsContact C-N 3.32Å; A80-K82 PolarHBondContact O-N 3.49Å; A80-L83 WeakPolarHBondContact O-CB 3.08Å; A80-L83 PolarHBondContact O-N 3.42Å; A80-L83 VanDerWaalsContact O-N 3.09Å; A80-F84 HydrophobicContact CB-CD2 4.26Å; A80-F84 HydrophobicContact CB-CE2 4.21Å; A80-F84 WeakPolarHBondContact O-CD2 3.48Å; A80-F84 PolarHBondContact O-N 2.82Å; A80-F127 HydrophobicContact CB-CE1 3.96Å; A80-F127 HydrophobicContact CB-CZ 4.33Å |
| 81 | R | 88.6 | Confident | 86.6 | Confident | 48 Ų | 48 | 95.4 Ų | 95.4 | 18% | 0.181 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 176.3 | -166.4 | -178.6 | -60.4 | -77.9 | 3.3 | 111.3 | E77 L83 F84 S85 D114 F127 | E77-R81 WeakPolarHBondContact O-CB 3.39Å; E77-R81 PolarHBondContact O-N 3.04Å; E77-R81 IonicContact OE1-CZ 3.8Å; E77-R81 IonicContact OE1-NH2 2.63Å; E77-R81 PolarHBondContact OE1-NH2 2.99Å; R81-L83 VanDerWaalsContact C-N 3.3Å; R81-L83 PolarHBondContact O-N 2.72Å; R81-F84 PolarHBondContact O-N 2.92Å; R81-S85 VanDerWaalsContact O-CB 3.32Å; R81-S85 WeakPolarHBondContact O-CB 3.38Å; R81-S85 PolarHBondContact O-N 3.25Å; R81-S85 PolarHBondContact O-OG 2.82Å; R81-D114 IonicContact CZ-OD2 3.89Å; R81-D114 VanDerWaalsContact NH1-CG 3.35Å; R81-D114 IonicContact NH1-OD2 2.84Å; R81-D114 PolarHBondContact NH1-OD2 3.27Å; R81-F127 HydrophobicContact CB-CE1 4.34Å; R81-F127 HydrophobicContact CB-CZ 4.06Å; R81-F127 HydrophobicContact CG-CE2 4.48Å |
| 82 | K | 90.1 | Very high | 88.2 | Confident | 140 Ų | 140 | 94.2 Ų | 94.2 | 61% | 0.609 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.6 | -36.7 | 176.1 | -169.9 | 176.3 | -176 | 180 | 0 | 112.7 | K78 K79 A80 K86 | K78-K82 PolarHBondContact O-N 3.21Å; K78-K82 VanDerWaalsContact O-N 3.16Å; K79-K82 PolarHBondContact O-N 3.09Å; A80-K82 VanDerWaalsContact C-N 3.32Å; A80-K82 PolarHBondContact O-N 3.49Å; K82-K86 WeakPolarHBondContact O-CG 3.28Å |
| 83 | L | 91.7 | Very high | 89.2 | Confident | 113 Ų | 113 | 95.8 Ų | 95.8 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.1 | -46.8 | 176.5 | -176.5 | 63.3 | 0 | 0 | 0 | 111.2 | K79 A80 R81 K86 S87 | K79-L83 PolarHBondContact O-N 2.92Å; K79-L83 VanDerWaalsContact O-N 3.08Å; A80-L83 WeakPolarHBondContact O-CB 3.08Å; A80-L83 PolarHBondContact O-N 3.42Å; A80-L83 VanDerWaalsContact O-N 3.09Å; R81-L83 VanDerWaalsContact C-N 3.3Å; R81-L83 PolarHBondContact O-N 2.72Å; L83-K86 WeakPolarHBondContact O-CB 3.49Å; L83-K86 PolarHBondContact O-N 3.4Å; L83-K86 VanDerWaalsContact O-N 3.15Å; L83-S87 PolarHBondContact O-N 2.97Å |
| 84 | F | 88 | Confident | 89.8 | Confident | 66 Ų | 66 | 96.5 Ų | 96.5 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -78.8 | -21.2 | -175.8 | -68 | -56 | 0 | 0 | 0 | 114.6 | A80 R81 S87 L89 I125 F127 | A80-F84 HydrophobicContact CB-CD2 4.26Å; A80-F84 HydrophobicContact CB-CE2 4.21Å; A80-F84 WeakPolarHBondContact O-CD2 3.48Å; A80-F84 PolarHBondContact O-N 2.82Å; R81-F84 PolarHBondContact O-N 2.92Å; F84-S87 WeakPolarHBondContact CA-OG 3.45Å; F84-S87 PolarHBondContact O-OG 2.67Å; F84-L89 HydrophobicContact CB-CD1 3.93Å; F84-L89 HydrophobicContact CD1-CD1 3.65Å; F84-L89 HydrophobicContact CG-CD1 4.15Å; F84-I125 HydrophobicContact CB-CD1 4.1Å; F84-I125 HydrophobicContact CD1-CD1 3.21Å; F84-I125 HydrophobicContact CD2-CD1 3.77Å; F84-I125 HydrophobicContact CD2-CG2 4.25Å; F84-I125 HydrophobicContact CE1-CD1 3.39Å; F84-I125 HydrophobicContact CE2-CD1 3.93Å; F84-I125 HydrophobicContact CE2-CG2 4.46Å; F84-I125 HydrophobicContact CG-CD1 3.41Å; F84-I125 VanDerWaalsContact CG-CD1 3.41Å; F84-I125 HydrophobicContact CZ-CD1 3.74Å; F84-F127 AromaticContact CD2-CZ 3.88Å; F84-F127 HydrophobicContact CD2-CZ 3.88Å |
| 85 | S | 84.6 | Confident | 90.1 | Very high | 72 Ų | 72 | 96 Ų | 96 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.2 | 166.8 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | R81 | R81-S85 VanDerWaalsContact O-CB 3.32Å; R81-S85 WeakPolarHBondContact O-CB 3.38Å; R81-S85 PolarHBondContact O-N 3.25Å; R81-S85 PolarHBondContact O-OG 2.82Å |
| 86 | K | 85.6 | Confident | 90.4 | Very high | 151 Ų | 151 | 92 Ų | 92 | 66% | 0.657 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -32.2 | 177 | -72.1 | 177.2 | 178.5 | -173.5 | 0 | 113 | K82 L83 | K82-K86 WeakPolarHBondContact O-CG 3.28Å; L83-K86 WeakPolarHBondContact O-CB 3.49Å; L83-K86 PolarHBondContact O-N 3.4Å; L83-K86 VanDerWaalsContact O-N 3.15Å |
| 87 | S | 85.5 | Confident | 90.7 | Very high | 47 Ų | 47 | 93.3 Ų | 93.3 | 33% | 0.329 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 145.3 | 166.1 | 59.8 | 0 | 0 | 0 | 0 | 107.8 | L83 F84 L89 | L83-S87 PolarHBondContact O-N 2.97Å; F84-S87 WeakPolarHBondContact CA-OG 3.45Å; F84-S87 PolarHBondContact O-OG 2.67Å; S87-L89 PolarHBondContact O-N 3.49Å; S87-L89 VanDerWaalsContact OG-CD1 3.26Å; S87-L89 WeakPolarHBondContact OG-CD1 3.4Å; S87-L89 WeakPolarHBondContact OG-CG 3.29Å |
| 88 | N | 86 | Confident | 91 | Very high | 153 Ų | 153 | 93.2 Ų | 93.2 | 82% | 0.818 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 38.7 | -173.8 | -60.7 | -59.8 | 0 | 0 | 0 | 114.2 | P119 | N88-P119 WeakPolarHBondContact O-CD 3.4Š|
| 89 | L | 89.7 | Confident | 91.2 | Very high | 34 Ų | 34 | 89.1 Ų | 89.1 | 18% | 0.178 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 141.5 | 174.9 | -58.7 | 177 | 0 | 0 | 0 | 109.5 | F84 S87 N118 I125 | F84-L89 HydrophobicContact CB-CD1 3.93Å; F84-L89 HydrophobicContact CD1-CD1 3.65Å; F84-L89 HydrophobicContact CG-CD1 4.15Å; S87-L89 PolarHBondContact O-N 3.49Å; S87-L89 VanDerWaalsContact OG-CD1 3.26Å; S87-L89 WeakPolarHBondContact OG-CD1 3.4Å; S87-L89 WeakPolarHBondContact OG-CG 3.29Å; L89-N118 HydrophobicContact CD2-CB 3.67Å; L89-I125 HydrophobicContact CD1-CD1 3.41Å; L89-I125 VanDerWaalsContact CD1-CD1 3.41Å; L89-I125 HydrophobicContact CD1-CG1 4.37Å |
| 90 | K | 91.4 | Very high | 91.3 | Very high | 145 Ų | 145 | 87.8 Ų | 87.8 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.5 | 178.1 | -70.1 | -177.2 | -179.1 | 179.7 | 0 | 109.5 | V92 Y116 K117 P119 | K90-V92 PolarHBondContact O-N 3.38Å; K90-Y116 CarbonylContact O-C 3.54Å; K90-Y116 WeakPolarHBondContact O-CA 3.38Å; K90-K117 PolarHBondContact N-O 2.79Å; K90-K117 PolarHBondContact O-N 3.44Å; K90-P119 HydrophobicContact CD-CG 3.87Å; K90-P119 HydrophobicContact CG-CG 3.86Å |
| 91 | Q | 91.8 | Very high | 91.4 | Very high | 96 Ų | 96 | 94.5 Ų | 94.5 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 129.6 | 168.1 | -169.2 | -179.9 | 30.2 | 0 | 0 | 109.3 | D114 Y116 | Q91-D114 WeakPolarHBondContact CG-OD1 3.37Å; Q91-D114 VanDerWaalsContact NE2-CG 3.31Å; Q91-D114 PolarHBondContact NE2-OD1 3.48Å; Q91-D114 PolarHBondContact NE2-OD2 3.21Å; Q91-Y116 HydrophobicContact CB-CD1 3.99Å; Q91-Y116 HydrophobicContact CB-CE1 3.8Å; Q91-Y116 HydrophobicContact CG-CD1 4.43Å; Q91-Y116 HydrophobicContact CG-CE1 4.03Å |
| 92 | V | 92.7 | Very high | 91.6 | Very high | 49 Ų | 49 | 99.9 Ų | 99.9 | 30% | 0.297 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 110.1 | 175.5 | -173 | 0 | 0 | 0 | 0 | 107.8 | K90 I95 V115 K117 | K90-V92 PolarHBondContact O-N 3.38Å; V92-I95 HydrophobicContact CB-CD1 3.77Å; V92-I95 HydrophobicContact CG1-CD1 3.47Å; V92-I95 VanDerWaalsContact CG1-CD1 3.47Å; V92-I95 HydrophobicContact CG1-CG1 4.13Å; V92-V115 HydrophobicContact CB-CB 4.49Å; V92-V115 PolarHBondContact N-O 2.87Å; V92-K117 HydrophobicContact CG2-CB 3.61Å |
| 93 | Q | 93.2 | Very high | 91.9 | Very high | 163 Ų | 163 | 95.6 Ų | 95.6 | 76% | 0.762 | 50% | 0.497 | S | S | * | . | trans | -85.9 | 163.9 | 179.2 | -61 | -177.8 | 9.4 | 0 | 0 | 111.3 | I95 | Q93-I95 VanDerWaalsContact C-N 3.32Å; Q93-I95 PolarHBondContact O-N 2.97Å | ||
| 94 | G | 94.4 | Very high | 91.8 | Very high | 77 Ų | 77 | 99 Ų | 99 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | trans | 81.4 | 4.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T96 | G94-T96 PolarHBondContact O-N 3.28Š| ||
| 95 | I | 94.8 | Very high | 91.9 | Very high | 49 Ų | 49 | 97.2 Ų | 97.2 | 25% | 0.251 | 50% | 0.503 | S | S | . | . | trans | -83.1 | 114.4 | 176.7 | -63.4 | 167.4 | 0 | 0 | 0 | 109.4 | V92 Q93 V98 P113 V115 | V92-I95 HydrophobicContact CB-CD1 3.77Å; V92-I95 HydrophobicContact CG1-CD1 3.47Å; V92-I95 VanDerWaalsContact CG1-CD1 3.47Å; V92-I95 HydrophobicContact CG1-CG1 4.13Å; Q93-I95 VanDerWaalsContact C-N 3.32Å; Q93-I95 PolarHBondContact O-N 2.97Å; I95-V98 HydrophobicContact CG2-CG2 3.7Å; I95-P113 HydrophobicContact CG2-CG 3.76Å; I95-V115 HydrophobicContact CB-CG2 4.26Å; I95-V115 HydrophobicContact CD1-CB 3.53Å; I95-V115 HydrophobicContact CD1-CG1 3.81Å; I95-V115 HydrophobicContact CD1-CG2 3.66Å; I95-V115 HydrophobicContact CG2-CG2 4.01Å | ||
| 96 | T | 95.7 | Very high | 92.4 | Very high | 98 Ų | 98 | 95.6 Ų | 95.6 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | trans | -96.1 | -26.2 | -178.6 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | G94 N112 | G94-T96 PolarHBondContact O-N 3.28Å; T96-N112 WeakPolarHBondContact O-CA 3.48Å; T96-N112 PolarHBondContact O-N 3.22Å; T96-N112 PolarHBondContact O-OD1 3.09Å | ||
| 97 | R | 94.9 | Very high | 92.9 | Very high | 112 Ų | 112 | 90.2 Ų | 90.2 | 42% | 0.423 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 131.5 | -179 | -170.4 | 175.9 | 177.7 | -177.5 | 0.2 | 110.5 | C99 V109 V110 E133 | R97-C99 PolarHBondContact NE-SG 3.15Å; R97-V109 HydrophobicContact CG-CG1 3.84Å; R97-V110 WeakPolarHBondContact CA-O 3.36Å; R97-E133 IonicContact CZ-OE2 2.7Å; R97-E133 IonicContact NH2-OE1 2.68Å; R97-E133 PolarHBondContact NH2-OE1 2.83Å; R97-E133 IonicContact NH2-OE2 3.42Å; R97-E133 PolarHBondContact NH2-OE2 2.85Å |
| 98 | V | 95.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 91 Ų | 91 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.7 | 167.4 | 171.3 | 0 | 0 | 0 | 0 | 108.1 | I95 V109 V110 P113 V115 V126 | I95-V98 HydrophobicContact CG2-CG2 3.7Å; V98-V109 WeakPolarHBondContact O-CA 3.28Å; V98-V110 HydrophobicContact CB-CB 4.48Å; V98-V110 PolarHBondContact N-O 3.37Å; V98-V110 PolarHBondContact O-N 3.35Å; V98-P113 HydrophobicContact CB-CG 4.07Å; V98-P113 HydrophobicContact CG2-CB 4.45Å; V98-P113 HydrophobicContact CG2-CG 3.55Å; V98-V115 HydrophobicContact CG2-CG2 4.05Å; V98-V126 HydrophobicContact CB-CG1 4.2Å; V98-V126 HydrophobicContact CG1-CG1 4.25Å; V98-V126 HydrophobicContact CG1-CG2 4.29Å; V98-V126 HydrophobicContact CG2-CG1 4.17Å; V98-V126 HydrophobicContact CG2-CG2 4.44Å |
| 99 | C | 95.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 83.8 Ų | 83.8 | 42% | 0.419 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.8 | 177.8 | -63.4 | 0 | 0 | 0 | 0 | 109.8 | R97 L107 F108 | R97-C99 PolarHBondContact NE-SG 3.15Å; C99-L107 HydrophobicContact CB-CD2 4.39Å; C99-F108 CarbonylContact C-O 3.53Å; C99-F108 WeakPolarHBondContact CA-O 3.29Å |
| 100 | I | 94.8 | Very high | 94.1 | Very high | 106 Ų | 106 | 82.6 Ų | 82.6 | 54% | 0.544 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 112 | 171.8 | -55.1 | 169.6 | 0 | 0 | 0 | 107.2 | F108 | I100-F108 HydrophobicContact CB-CB 4.23Å; I100-F108 PolarHBondContact N-O 2.78Å; I100-F108 PolarHBondContact O-N 3.31Å |
| 101 | R | 94 | Very high | 94.3 | Very high | 172 Ų | 172 | 79.9 Ų | 79.9 | 65% | 0.649 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 120.2 | -179.1 | -170.9 | 178.8 | -168.9 | 172.6 | 9.7 | 110.2 | S103 K104 | R101-S103 VanDerWaalsContact CG-O 3.23Å; R101-S103 WeakPolarHBondContact CG-O 3.49Å; R101-S103 PolarHBondContact NE-O 3.29Å; R101-S103 VanDerWaalsContact NE-O 3.09Å; R101-K104 PolarHBondContact NH2-O 3.36Å |
| 102 | K | 94.5 | Very high | 94.4 | Very high | 161 Ų | 161 | 81.5 Ų | 81.5 | 70% | 0.7 | 42% | 0.423 | S | S | * | . | trans | -96.3 | -38.3 | 174.7 | 179.8 | 177.8 | 169.1 | -176.7 | 0 | 112.3 | I106 F108 | K102-I106 HydrophobicContact CB-CG2 4.36Å; K102-I106 PolarHBondContact N-O 3.12Å; K102-F108 HydrophobicContact CB-CD2 4.31Å; K102-F108 HydrophobicContact CB-CE2 3.87Å; K102-F108 HydrophobicContact CD-CE2 3.75Å; K102-F108 HydrophobicContact CD-CZ 4.24Å; K102-F108 HydrophobicContact CG-CE2 4.39Å | ||
| 103 | S | 94.7 | Very high | 94.5 | Very high | 51 Ų | 51 | 79.7 Ų | 79.7 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -145.1 | -173.1 | 178.1 | 75 | 0 | 0 | 0 | 0 | 111.3 | R101 S105 I106 | R101-S103 VanDerWaalsContact CG-O 3.23Å; R101-S103 WeakPolarHBondContact CG-O 3.49Å; R101-S103 PolarHBondContact NE-O 3.29Å; R101-S103 VanDerWaalsContact NE-O 3.09Å; S103-S105 PolarHBondContact O-N 3.09Å; S103-I106 PolarHBondContact N-O 2.98Å; S103-I106 WeakPolarHBondContact OG-CB 3.44Å; S103-I106 VanDerWaalsContact OG-CG1 3.28Å; S103-I106 WeakPolarHBondContact OG-CG1 3.4Å; S103-I106 PolarHBondContact OG-N 2.75Å; S103-I106 VanDerWaalsContact OG-N 3.13Å |
| 104 | K | 90.6 | Very high | 94.5 | Very high | 183 Ų | 183 | 73.7 Ų | 73.7 | 80% | 0.796 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -57.4 | -39.1 | 178.7 | -173 | 173.7 | 178.2 | 178 | 0 | 111.8 | R101 | R101-K104 PolarHBondContact NH2-O 3.36Š|
| 105 | S | 90.9 | Very high | 94.5 | Very high | 30 Ų | 30 | 70.1 Ų | 70.1 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -108.8 | -20 | -177.2 | 71.9 | 0 | 0 | 0 | 0 | 115 | S103 L107 D134 L135 | S103-S105 PolarHBondContact O-N 3.09Å; S105-L107 WeakPolarHBondContact O-CD1 3.48Å; S105-D134 WeakPolarHBondContact CB-OD1 3.34Å; S105-D134 CarbonylContact O-C 3.59Å; S105-D134 WeakPolarHBondContact O-CA 3.28Å; S105-D134 PolarHBondContact OG-OD1 2.82Å; S105-D134 VanDerWaalsContact OG-OD1 3.05Å; S105-L135 PolarHBondContact O-N 3.3Å |
| 106 | I | 95 | Very high | 94.5 | Very high | 38 Ų | 38 | 68.6 Ų | 68.6 | 20% | 0.195 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122 | -174.2 | -53.4 | -65.8 | 0 | 0 | 0 | 111.6 | K102 S103 I132 D134 | K102-I106 HydrophobicContact CB-CG2 4.36Å; K102-I106 PolarHBondContact N-O 3.12Å; S103-I106 PolarHBondContact N-O 2.98Å; S103-I106 WeakPolarHBondContact OG-CB 3.44Å; S103-I106 VanDerWaalsContact OG-CG1 3.28Å; S103-I106 WeakPolarHBondContact OG-CG1 3.4Å; S103-I106 PolarHBondContact OG-N 2.75Å; S103-I106 VanDerWaalsContact OG-N 3.13Å; I106-I132 HydrophobicContact CG2-CG2 4.19Å; I106-D134 HydrophobicContact CD1-CB 3.64Å; I106-D134 WeakPolarHBondContact CD1-OD2 3.43Å |
| 107 | L | 94.9 | Very high | 94.4 | Very high | 37 Ų | 37 | 67.9 Ų | 67.9 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.8 | 176.5 | -64.8 | 79.1 | 0 | 0 | 0 | 110.2 | C99 S105 V109 E133 | C99-L107 HydrophobicContact CB-CD2 4.39Å; S105-L107 WeakPolarHBondContact O-CD1 3.48Å; L107-V109 HydrophobicContact CB-CG2 3.87Å; L107-E133 HydrophobicContact CB-CB 4.43Å; L107-E133 PolarHBondContact N-O 3.42Å; L107-E133 PolarHBondContact O-N 3.11Å |
| 108 | F | 95.5 | Very high | 94.3 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.6 | 162.8 | -63.1 | -92.1 | 0 | 0 | 0 | 108.4 | C99 I100 K102 K131 I132 | C99-F108 CarbonylContact C-O 3.53Å; C99-F108 WeakPolarHBondContact CA-O 3.29Å; I100-F108 HydrophobicContact CB-CB 4.23Å; I100-F108 PolarHBondContact N-O 2.78Å; I100-F108 PolarHBondContact O-N 3.31Å; K102-F108 HydrophobicContact CB-CD2 4.31Å; K102-F108 HydrophobicContact CB-CE2 3.87Å; K102-F108 HydrophobicContact CD-CE2 3.75Å; K102-F108 HydrophobicContact CD-CZ 4.24Å; K102-F108 HydrophobicContact CG-CE2 4.39Å; F108-K131 CarbonylContact C-O 3.53Å; F108-K131 WeakPolarHBondContact CA-O 3.34Å; F108-I132 HydrophobicContact CD1-CG1 3.86Å; F108-I132 HydrophobicContact CE1-CD1 3.99Å; F108-I132 HydrophobicContact CE1-CG1 3.68Å |
| 109 | V | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.6 | -170.2 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | R97 V98 L107 N111 K131 E133 | R97-V109 HydrophobicContact CG-CG1 3.84Å; V98-V109 WeakPolarHBondContact O-CA 3.28Å; L107-V109 HydrophobicContact CB-CG2 3.87Å; V109-N111 WeakPolarHBondContact CG1-OD1 3.48Å; V109-K131 PolarHBondContact N-O 2.91Å; V109-K131 PolarHBondContact O-N 3.49Å; V109-E133 HydrophobicContact CG2-CB 4Å; V109-E133 WeakPolarHBondContact CG2-OE2 3.46Å |
| 110 | V | 95.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.055 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.2 | 171.2 | -167.1 | 0 | 0 | 0 | 0 | 107.6 | R97 V98 P113 V126 A130 | R97-V110 WeakPolarHBondContact CA-O 3.36Å; V98-V110 HydrophobicContact CB-CB 4.48Å; V98-V110 PolarHBondContact N-O 3.37Å; V98-V110 PolarHBondContact O-N 3.35Å; V110-P113 HydrophobicContact CB-CB 4.25Å; V110-P113 HydrophobicContact CG1-CB 3.7Å; V110-P113 HydrophobicContact CG1-CG 4.41Å; V110-V126 HydrophobicContact CB-CG1 4.42Å; V110-V126 HydrophobicContact CG1-CG1 4.46Å; V110-V126 HydrophobicContact CG2-CG1 4.34Å; V110-A130 HydrophobicContact CG2-CB 4.15Å |
| 111 | N | 94.9 | Very high | 93.8 | Very high | 89 Ų | 89 | 66.2 Ų | 66.2 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 138.6 | 178.5 | -68.3 | -30.3 | 0 | 0 | 0 | 110.4 | V109 P113 | V109-N111 WeakPolarHBondContact CG1-OD1 3.48Å; N111-P113 VanDerWaalsContact C-CD 3.49Å; N111-P113 VanDerWaalsContact C-N 3.34Å |
| 112 | N | 94.1 | Very high | 93.7 | Very high | 130 Ų | 130 | 66.5 Ų | 66.5 | 70% | 0.695 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 40.9 | 55.1 | -173.5 | -61.9 | -42.4 | 0 | 0 | 0 | 113 | T96 | T96-N112 WeakPolarHBondContact O-CA 3.48Å; T96-N112 PolarHBondContact O-N 3.22Å; T96-N112 PolarHBondContact O-OD1 3.09Å |
| 113 | P | 94.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 7% | 0.071 | 34% | 0.338 | C | S | . | . | trans | -71.1 | 156.3 | 179.8 | 28 | -29 | 0 | 0 | 0 | 111.5 | I95 V98 V110 N111 V115 V126 F127 | I95-P113 HydrophobicContact CG2-CG 3.76Å; V98-P113 HydrophobicContact CB-CG 4.07Å; V98-P113 HydrophobicContact CG2-CB 4.45Å; V98-P113 HydrophobicContact CG2-CG 3.55Å; V110-P113 HydrophobicContact CB-CB 4.25Å; V110-P113 HydrophobicContact CG1-CB 3.7Å; V110-P113 HydrophobicContact CG1-CG 4.41Å; N111-P113 VanDerWaalsContact C-CD 3.49Å; N111-P113 VanDerWaalsContact C-N 3.34Å; P113-V115 HydrophobicContact CB-CG2 4.02Å; P113-V115 HydrophobicContact CG-CG2 3.94Å; P113-V126 HydrophobicContact CB-CG1 3.66Å; P113-V126 HydrophobicContact CG-CG1 4.34Å; P113-F127 CarbonylContact C-O 3.54Å; P113-F127 VanDerWaalsContact CA-O 3.3Å; P113-F127 WeakPolarHBondContact CA-O 3.3Å; P113-F127 WeakPolarHBondContact CB-O 3.06Å | ||
| 114 | D | 93.1 | Very high | 93.6 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 117.3 | 162.4 | -172.2 | 7.3 | 0 | 0 | 0 | 109.1 | R81 Q91 Y116 F127 | R81-D114 IonicContact CZ-OD2 3.89Å; R81-D114 VanDerWaalsContact NH1-CG 3.35Å; R81-D114 IonicContact NH1-OD2 2.84Å; R81-D114 PolarHBondContact NH1-OD2 3.27Å; Q91-D114 WeakPolarHBondContact CG-OD1 3.37Å; Q91-D114 VanDerWaalsContact NE2-CG 3.31Å; Q91-D114 PolarHBondContact NE2-OD1 3.48Å; Q91-D114 PolarHBondContact NE2-OD2 3.21Å; D114-Y116 HydrophobicContact CB-CE2 4.4Å; D114-Y116 VanDerWaalsContact CG-CE2 3.43Å; D114-Y116 WeakPolarHBondContact OD1-CE2 3.37Å; D114-Y116 VanDerWaalsContact OD2-CE2 3.25Å; D114-Y116 WeakPolarHBondContact OD2-CE2 3.4Å; D114-Y116 PolarHBondContact OD2-OH 2.75Å; D114-F127 HydrophobicContact CB-CB 4.31Å; D114-F127 PolarHBondContact N-O 3.28Å; D114-F127 PolarHBondContact O-N 3.39Å |
| 115 | V | 94.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.3 | -172.4 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | V92 I95 V98 P113 F124 I125 V126 | V92-V115 HydrophobicContact CB-CB 4.49Å; V92-V115 PolarHBondContact N-O 2.87Å; I95-V115 HydrophobicContact CB-CG2 4.26Å; I95-V115 HydrophobicContact CD1-CB 3.53Å; I95-V115 HydrophobicContact CD1-CG1 3.81Å; I95-V115 HydrophobicContact CD1-CG2 3.66Å; I95-V115 HydrophobicContact CG2-CG2 4.01Å; V98-V115 HydrophobicContact CG2-CG2 4.05Å; P113-V115 HydrophobicContact CB-CG2 4.02Å; P113-V115 HydrophobicContact CG-CG2 3.94Å; V115-F124 HydrophobicContact CG1-CB 4.47Å; V115-F124 HydrophobicContact CG1-CD1 4.05Å; V115-I125 CarbonylContact C-O 3.6Å; V115-I125 VanDerWaalsContact CA-O 3.28Å; V115-I125 WeakPolarHBondContact CA-O 3.44Å; V115-V126 HydrophobicContact CG1-CG2 4.32Å; V115-V126 HydrophobicContact CG2-CG1 4.28Å; V115-V126 HydrophobicContact CG2-CG2 4.19Å |
| 116 | Y | 94.9 | Very high | 94 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.5 | 171.7 | -60.3 | -101.7 | 0 | 0 | 0 | 108.9 | K90 Q91 D114 F124 I125 F127 | K90-Y116 CarbonylContact O-C 3.54Å; K90-Y116 WeakPolarHBondContact O-CA 3.38Å; Q91-Y116 HydrophobicContact CB-CD1 3.99Å; Q91-Y116 HydrophobicContact CB-CE1 3.8Å; Q91-Y116 HydrophobicContact CG-CD1 4.43Å; Q91-Y116 HydrophobicContact CG-CE1 4.03Å; D114-Y116 HydrophobicContact CB-CE2 4.4Å; D114-Y116 VanDerWaalsContact CG-CE2 3.43Å; D114-Y116 WeakPolarHBondContact OD1-CE2 3.37Å; D114-Y116 VanDerWaalsContact OD2-CE2 3.25Å; D114-Y116 WeakPolarHBondContact OD2-CE2 3.4Å; D114-Y116 PolarHBondContact OD2-OH 2.75Å; Y116-F124 CarbonylContact O-C 3.53Å; Y116-F124 VanDerWaalsContact O-CA 3.32Å; Y116-F124 WeakPolarHBondContact O-CA 3.41Å; Y116-I125 PolarHBondContact N-O 2.82Å; Y116-I125 PolarHBondContact O-N 2.81Å; Y116-F127 AromaticContact CD2-CD2 3.68Å; Y116-F127 HydrophobicContact CD2-CD2 3.68Å; Y116-F127 AromaticContact CD2-CE2 3.57Å; Y116-F127 HydrophobicContact CD2-CE2 3.57Å; Y116-F127 AromaticContact CE2-CD2 3.59Å; Y116-F127 HydrophobicContact CE2-CD2 3.59Å; Y116-F127 AromaticContact CE2-CE2 3.6Å; Y116-F127 HydrophobicContact CE2-CE2 3.6Å |
| 117 | K | 94.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 58.4 Ų | 58.4 | 36% | 0.357 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.3 | 178.7 | -174.8 | -173.9 | -179.7 | 178.8 | 0 | 110 | K90 V92 P119 F124 | K90-K117 PolarHBondContact N-O 2.79Å; K90-K117 PolarHBondContact O-N 3.44Å; V92-K117 HydrophobicContact CG2-CB 3.61Å; K117-P119 WeakPolarHBondContact O-CD 3.23Å; K117-F124 HydrophobicContact CB-CD1 3.89Å; K117-F124 HydrophobicContact CB-CE1 3.92Å; K117-F124 HydrophobicContact CD-CD1 4.34Å; K117-F124 HydrophobicContact CD-CE1 3.53Å; K117-F124 HydrophobicContact CD-CZ 3.8Å; K117-F124 HydrophobicContact CG-CD1 3.88Å; K117-F124 HydrophobicContact CG-CE1 3.57Å; K117-F124 HydrophobicContact CG-CZ 4.04Å |
| 118 | N | 93.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 25% | 0.251 | 33% | 0.326 | S | S | . | . | trans | -73.1 | 124.3 | 166.1 | -170.4 | 0.7 | 0 | 0 | 0 | 110.2 | L89 S120 S121 T123 | L89-N118 HydrophobicContact CD2-CB 3.67Å; N118-S120 PolarHBondContact O-N 2.63Å; N118-S120 PolarHBondContact OD1-N 3.05Å; N118-S121 WeakPolarHBondContact CB-OG 3.4Å; N118-S121 PolarHBondContact ND2-OG 3.41Å; N118-T123 PolarHBondContact N-O 3.09Å | ||
| 119 | P | 90.1 | Very high | 93.6 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.2 | 175.6 | -24.6 | 36.1 | 0 | 0 | 0 | 113.8 | N88 K90 K117 | N88-P119 WeakPolarHBondContact O-CD 3.4Å; K90-P119 HydrophobicContact CD-CG 3.87Å; K90-P119 HydrophobicContact CG-CG 3.86Å; K117-P119 WeakPolarHBondContact O-CD 3.23Å |
| 120 | S | 92.4 | Very high | 93.4 | Very high | 113 Ų | 113 | 63.7 Ų | 63.7 | 79% | 0.79 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -12.4 | -172.8 | -52.3 | 0 | 0 | 0 | 0 | 114.3 | N118 | N118-S120 PolarHBondContact O-N 2.63Å; N118-S120 PolarHBondContact OD1-N 3.05Å |
| 121 | S | 92.6 | Very high | 93.3 | Very high | 46 Ų | 46 | 68.8 Ų | 68.8 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -145.5 | 163.8 | -178.1 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | N118 T123 | N118-S121 WeakPolarHBondContact CB-OG 3.4Å; N118-S121 PolarHBondContact ND2-OG 3.41Å; S121-T123 PolarHBondContact O-N 3.2Å; S121-T123 WeakPolarHBondContact OG-CB 3.37Å; S121-T123 PolarHBondContact OG-OG1 2.82Å |
| 122 | E | 91.4 | Very high | 93.3 | Very high | 179 Ų | 179 | 70.2 Ų | 70.2 | 84% | 0.836 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -80 | 48.5 | 173.2 | -61.6 | -174.2 | 167.6 | 0 | 0 | 111.7 | ||
| 123 | T | 93.9 | Very high | 93.2 | Very high | 78 Ų | 78 | 67.5 Ų | 67.5 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | trans | -109 | 125 | -179.3 | -50.6 | 0 | 0 | 0 | 0 | 110 | N118 S121 | N118-T123 PolarHBondContact N-O 3.09Å; S121-T123 PolarHBondContact O-N 3.2Å; S121-T123 WeakPolarHBondContact OG-CB 3.37Å; S121-T123 PolarHBondContact OG-OG1 2.82Å | ||
| 124 | F | 94.2 | Very high | 93.1 | Very high | 108 Ų | 108 | 68.2 Ų | 68.2 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.7 | -179.9 | -61.3 | -94.3 | 0 | 0 | 0 | 110.5 | V115 Y116 K117 | V115-F124 HydrophobicContact CG1-CB 4.47Å; V115-F124 HydrophobicContact CG1-CD1 4.05Å; Y116-F124 CarbonylContact O-C 3.53Å; Y116-F124 VanDerWaalsContact O-CA 3.32Å; Y116-F124 WeakPolarHBondContact O-CA 3.41Å; K117-F124 HydrophobicContact CB-CD1 3.89Å; K117-F124 HydrophobicContact CB-CE1 3.92Å; K117-F124 HydrophobicContact CD-CD1 4.34Å; K117-F124 HydrophobicContact CD-CE1 3.53Å; K117-F124 HydrophobicContact CD-CZ 3.8Å; K117-F124 HydrophobicContact CG-CD1 3.88Å; K117-F124 HydrophobicContact CG-CE1 3.57Å; K117-F124 HydrophobicContact CG-CZ 4.04Å |
| 125 | I | 93.7 | Very high | 92.9 | Very high | 34 Ų | 34 | 71.2 Ų | 71.2 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.3 | 172.1 | -54.7 | -174.6 | 0 | 0 | 0 | 106.5 | F84 L89 V115 Y116 F127 | F84-I125 HydrophobicContact CB-CD1 4.1Å; F84-I125 HydrophobicContact CD1-CD1 3.21Å; F84-I125 HydrophobicContact CD2-CD1 3.77Å; F84-I125 HydrophobicContact CD2-CG2 4.25Å; F84-I125 HydrophobicContact CE1-CD1 3.39Å; F84-I125 HydrophobicContact CE2-CD1 3.93Å; F84-I125 HydrophobicContact CE2-CG2 4.46Å; F84-I125 HydrophobicContact CG-CD1 3.41Å; F84-I125 VanDerWaalsContact CG-CD1 3.41Å; F84-I125 HydrophobicContact CZ-CD1 3.74Å; L89-I125 HydrophobicContact CD1-CD1 3.41Å; L89-I125 VanDerWaalsContact CD1-CD1 3.41Å; L89-I125 HydrophobicContact CD1-CG1 4.37Å; V115-I125 CarbonylContact C-O 3.6Å; V115-I125 VanDerWaalsContact CA-O 3.28Å; V115-I125 WeakPolarHBondContact CA-O 3.44Å; Y116-I125 PolarHBondContact N-O 2.82Å; Y116-I125 PolarHBondContact O-N 2.81Å; I125-F127 HydrophobicContact CG2-CD2 4.13Å; I125-F127 HydrophobicContact CG2-CE2 3.64Å; I125-F127 HydrophobicContact CG2-CZ 3.88Å |
| 126 | V | 94.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 73.4 Ų | 73.4 | 33% | 0.333 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.1 | -176.6 | -178 | 0 | 0 | 0 | 0 | 107.9 | V98 V110 P113 V115 | V98-V126 HydrophobicContact CB-CG1 4.2Å; V98-V126 HydrophobicContact CG1-CG1 4.25Å; V98-V126 HydrophobicContact CG1-CG2 4.29Å; V98-V126 HydrophobicContact CG2-CG1 4.17Å; V98-V126 HydrophobicContact CG2-CG2 4.44Å; V110-V126 HydrophobicContact CB-CG1 4.42Å; V110-V126 HydrophobicContact CG1-CG1 4.46Å; V110-V126 HydrophobicContact CG2-CG1 4.34Å; P113-V126 HydrophobicContact CB-CG1 3.66Å; P113-V126 HydrophobicContact CG-CG1 4.34Å; V115-V126 HydrophobicContact CG1-CG2 4.32Å; V115-V126 HydrophobicContact CG2-CG1 4.28Å; V115-V126 HydrophobicContact CG2-CG2 4.19Å |
| 127 | F | 93.6 | Very high | 92.5 | Very high | 18 Ų | 18 | 77.6 Ų | 77.6 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.8 | 172.5 | -65.1 | -79.6 | 0 | 0 | 0 | 110.6 | E77 A80 R81 F84 P113 D114 Y116 I125 | E77-F127 HydrophobicContact CG-CD1 3.59Å; E77-F127 HydrophobicContact CG-CE1 4.05Å; A80-F127 HydrophobicContact CB-CE1 3.96Å; A80-F127 HydrophobicContact CB-CZ 4.33Å; R81-F127 HydrophobicContact CB-CE1 4.34Å; R81-F127 HydrophobicContact CB-CZ 4.06Å; R81-F127 HydrophobicContact CG-CE2 4.48Å; F84-F127 AromaticContact CD2-CZ 3.88Å; F84-F127 HydrophobicContact CD2-CZ 3.88Å; P113-F127 CarbonylContact C-O 3.54Å; P113-F127 VanDerWaalsContact CA-O 3.3Å; P113-F127 WeakPolarHBondContact CA-O 3.3Å; P113-F127 WeakPolarHBondContact CB-O 3.06Å; D114-F127 HydrophobicContact CB-CB 4.31Å; D114-F127 PolarHBondContact N-O 3.28Å; D114-F127 PolarHBondContact O-N 3.39Å; Y116-F127 AromaticContact CD2-CD2 3.68Å; Y116-F127 HydrophobicContact CD2-CD2 3.68Å; Y116-F127 AromaticContact CD2-CE2 3.57Å; Y116-F127 HydrophobicContact CD2-CE2 3.57Å; Y116-F127 AromaticContact CE2-CD2 3.59Å; Y116-F127 HydrophobicContact CE2-CD2 3.59Å; Y116-F127 AromaticContact CE2-CE2 3.6Å; Y116-F127 HydrophobicContact CE2-CE2 3.6Å; I125-F127 HydrophobicContact CG2-CD2 4.13Å; I125-F127 HydrophobicContact CG2-CE2 3.64Å; I125-F127 HydrophobicContact CG2-CZ 3.88Å |
| 128 | G | 92.5 | Very high | 92.2 | Very high | 42 Ų | 42 | 79.1 Ų | 79.1 | 43% | 0.433 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 159.7 | -179.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A130 | G128-A130 PolarHBondContact O-N 3.3Š|
| 129 | E | 90.7 | Very high | 92.1 | Very high | 102 Ų | 102 | 79.5 Ų | 79.5 | 48% | 0.477 | 45% | 0.445 | S | S | . | . | trans | -83.7 | 114.6 | 178.9 | -65.4 | 171.4 | -165.6 | 0 | 0 | 110.2 | K131 | E129-K131 PolarHBondContact O-N 3Š| ||
| 130 | A | 92.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 82.7 Ų | 82.7 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | V110 G128 | V110-A130 HydrophobicContact CG2-CB 4.15Å; G128-A130 PolarHBondContact O-N 3.3Å |
| 131 | K | 93.4 | Very high | 91.9 | Very high | 115 Ų | 115 | 82.9 Ų | 82.9 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.2 | 174.8 | -61.6 | -173.7 | 178.9 | -173.6 | 0 | 109.7 | F108 V109 E129 | F108-K131 CarbonylContact C-O 3.53Å; F108-K131 WeakPolarHBondContact CA-O 3.34Å; V109-K131 PolarHBondContact N-O 2.91Å; V109-K131 PolarHBondContact O-N 3.49Å; E129-K131 PolarHBondContact O-N 3Å |
| 132 | I | 94 | Very high | 91.8 | Very high | 120 Ų | 120 | 82.2 Ų | 82.2 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.7 | 174.3 | -57.9 | 174.3 | 0 | 0 | 0 | 107.7 | I106 F108 | I106-I132 HydrophobicContact CG2-CG2 4.19Å; F108-I132 HydrophobicContact CD1-CG1 3.86Å; F108-I132 HydrophobicContact CE1-CD1 3.99Å; F108-I132 HydrophobicContact CE1-CG1 3.68Å |
| 133 | E | 93.3 | Very high | 91.8 | Very high | 72 Ų | 72 | 76 Ų | 76 | 34% | 0.336 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.1 | 174.7 | -170.9 | 172.8 | 149.7 | 0 | 0 | 108 | R97 L107 V109 | R97-E133 IonicContact CZ-OE2 2.7Å; R97-E133 IonicContact NH2-OE1 2.68Å; R97-E133 PolarHBondContact NH2-OE1 2.83Å; R97-E133 IonicContact NH2-OE2 3.42Å; R97-E133 PolarHBondContact NH2-OE2 2.85Å; L107-E133 HydrophobicContact CB-CB 4.43Å; L107-E133 PolarHBondContact N-O 3.42Å; L107-E133 PolarHBondContact O-N 3.11Å; V109-E133 HydrophobicContact CG2-CB 4Å; V109-E133 WeakPolarHBondContact CG2-OE2 3.46Å |
| 134 | D | 93.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 75.2 Ų | 75.2 | 14% | 0.144 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 107 | 175.3 | -173.9 | -5.4 | 0 | 0 | 0 | 109.4 | S105 I106 S136 Q137 H138 | S105-D134 WeakPolarHBondContact CB-OD1 3.34Å; S105-D134 CarbonylContact O-C 3.59Å; S105-D134 WeakPolarHBondContact O-CA 3.28Å; S105-D134 PolarHBondContact OG-OD1 2.82Å; S105-D134 VanDerWaalsContact OG-OD1 3.05Å; I106-D134 HydrophobicContact CD1-CB 3.64Å; I106-D134 WeakPolarHBondContact CD1-OD2 3.43Å; D134-S136 PolarHBondContact O-N 3.44Å; D134-S136 WeakPolarHBondContact OD1-CB 3.34Å; D134-S136 PolarHBondContact OD1-N 3.08Å; D134-S136 PolarHBondContact OD1-OG 3.36Å; D134-S136 PolarHBondContact OD2-OG 3.31Å; D134-Q137 HydrophobicContact CB-CB 4.21Å; D134-Q137 HydrophobicContact CB-CG 4.22Å; D134-Q137 PolarHBondContact O-N 3.13Å; D134-Q137 WeakPolarHBondContact OD2-CG 3.27Å; D134-Q137 PolarHBondContact OD2-NE2 3.46Å; D134-H138 PolarHBondContact O-N 2.98Å |
| 135 | L | 87.8 | Confident | 91.2 | Very high | 99 Ų | 99 | 76.4 Ų | 76.4 | 52% | 0.518 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.4 | -27.7 | 179.3 | -173.6 | 61.1 | 0 | 0 | 0 | 112.2 | S105 A139 | S105-L135 PolarHBondContact O-N 3.3Å; L135-A139 VanDerWaalsContact O-CB 3.32Å; L135-A139 WeakPolarHBondContact O-CB 3.45Å; L135-A139 PolarHBondContact O-N 3.35Å |
| 136 | S | 90.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 82.2 Ų | 82.2 | 34% | 0.343 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.6 | -43.6 | 179.8 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | D134 A139 Q140 | D134-S136 PolarHBondContact O-N 3.44Å; D134-S136 WeakPolarHBondContact OD1-CB 3.34Å; D134-S136 PolarHBondContact OD1-N 3.08Å; D134-S136 PolarHBondContact OD1-OG 3.36Å; D134-S136 PolarHBondContact OD2-OG 3.31Å; S136-A139 PolarHBondContact O-N 2.94Å; S136-Q140 WeakPolarHBondContact O-CG 3.2Å; S136-Q140 PolarHBondContact O-N 2.94Å |
| 137 | Q | 90.1 | Very high | 89.8 | Confident | 105 Ų | 105 | 87.7 Ų | 87.7 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 173.8 | -70.5 | 178.3 | 50.7 | 0 | 0 | 111.3 | D134 A139 Q140 Q141 | D134-Q137 HydrophobicContact CB-CB 4.21Å; D134-Q137 HydrophobicContact CB-CG 4.22Å; D134-Q137 PolarHBondContact O-N 3.13Å; D134-Q137 WeakPolarHBondContact OD2-CG 3.27Å; D134-Q137 PolarHBondContact OD2-NE2 3.46Å; Q137-A139 VanDerWaalsContact C-N 3.34Å; Q137-A139 PolarHBondContact O-N 3.48Å; Q137-Q140 PolarHBondContact O-N 3.32Å; Q137-Q141 WeakPolarHBondContact O-CB 3.35Å; Q137-Q141 VanDerWaalsContact O-CG 3.27Å; Q137-Q141 WeakPolarHBondContact O-CG 3.33Å; Q137-Q141 PolarHBondContact O-N 2.96Å |
| 138 | H | 88.9 | Confident | 88.8 | Confident | 114 Ų | 114 | 95.5 Ų | 95.5 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.4 | -172.1 | -71.4 | 0 | 0 | 0 | 111.9 | D134 A142 | D134-H138 PolarHBondContact O-N 2.98Å; H138-A142 WeakPolarHBondContact O-CB 3.32Å; H138-A142 PolarHBondContact O-N 2.96Å |
| 139 | A | 90.3 | Very high | 87.5 | Confident | 55 Ų | 55 | 100.4 Ų | 100.4 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L135 S136 Q137 A142 A143 | L135-A139 VanDerWaalsContact O-CB 3.32Å; L135-A139 WeakPolarHBondContact O-CB 3.45Å; L135-A139 PolarHBondContact O-N 3.35Å; S136-A139 PolarHBondContact O-N 2.94Å; Q137-A139 VanDerWaalsContact C-N 3.34Å; Q137-A139 PolarHBondContact O-N 3.48Å; A139-A142 PolarHBondContact O-N 3.06Å; A139-A143 WeakPolarHBondContact O-CB 3.36Å; A139-A143 PolarHBondContact O-N 3.29Å |
| 140 | Q | 90.5 | Very high | 86.1 | Confident | 136 Ų | 136 | 100.9 Ų | 100.9 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 176.4 | -73.4 | 175.6 | -13 | 0 | 0 | 112 | S136 Q137 A143 A144 | S136-Q140 WeakPolarHBondContact O-CG 3.2Å; S136-Q140 PolarHBondContact O-N 2.94Å; Q137-Q140 PolarHBondContact O-N 3.32Å; Q140-A143 PolarHBondContact O-N 2.89Å; Q140-A144 WeakPolarHBondContact O-CB 3.48Å; Q140-A144 PolarHBondContact O-N 3.19Å |
| 141 | Q | 88.7 | Confident | 84.2 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.3 | -47.2 | 175.5 | -72 | 170.2 | -2.5 | 0 | 0 | 111.2 | Q137 A143 A144 E145 | Q137-Q141 WeakPolarHBondContact O-CB 3.35Å; Q137-Q141 VanDerWaalsContact O-CG 3.27Å; Q137-Q141 WeakPolarHBondContact O-CG 3.33Å; Q137-Q141 PolarHBondContact O-N 2.96Å; Q141-A143 VanDerWaalsContact C-N 3.32Å; Q141-A143 PolarHBondContact O-N 3.21Å; Q141-A144 PolarHBondContact O-N 2.94Å; Q141-E145 WeakPolarHBondContact O-CG 3.3Å; Q141-E145 PolarHBondContact O-N 2.87Å |
| 142 | A | 90.3 | Very high | 82.1 | Confident | 31 Ų | 31 | 105.1 Ų | 105.1 | 26% | 0.256 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -32.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H138 A139 K146 | H138-A142 WeakPolarHBondContact O-CB 3.32Å; H138-A142 PolarHBondContact O-N 2.96Å; A139-A142 PolarHBondContact O-N 3.06Å; A142-K146 WeakPolarHBondContact O-CG 3.47Å; A142-K146 PolarHBondContact O-N 3.39Å |
| 143 | A | 91.1 | Very high | 79.8 | Confident | 48 Ų | 48 | 103.7 Ų | 103.7 | 40% | 0.397 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.9 | -41 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A139 Q140 Q141 K146 F147 | A139-A143 WeakPolarHBondContact O-CB 3.36Å; A139-A143 PolarHBondContact O-N 3.29Å; Q140-A143 PolarHBondContact O-N 2.89Å; Q141-A143 VanDerWaalsContact C-N 3.32Å; Q141-A143 PolarHBondContact O-N 3.21Å; A143-K146 PolarHBondContact O-N 2.9Å; A143-F147 PolarHBondContact O-N 3.17Å |
| 144 | A | 88.3 | Confident | 77.7 | Confident | 62 Ų | 62 | 106.6 Ų | 106.6 | 51% | 0.512 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.9 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q140 Q141 K146 F147 K148 | Q140-A144 WeakPolarHBondContact O-CB 3.48Å; Q140-A144 PolarHBondContact O-N 3.19Å; Q141-A144 PolarHBondContact O-N 2.94Å; A144-K146 VanDerWaalsContact C-N 3.28Å; A144-K146 PolarHBondContact O-N 2.88Å; A144-F147 PolarHBondContact O-N 2.62Å; A144-K148 PolarHBondContact O-N 3.05Å |
| 145 | E | 87.6 | Confident | 75.4 | Confident | 133 Ų | 133 | 112.2 Ų | 112.2 | 62% | 0.621 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.8 | -37.2 | 174.4 | -73.8 | 176.7 | 168.3 | 0 | 0 | 112.2 | Q141 I149 | Q141-E145 WeakPolarHBondContact O-CG 3.3Å; Q141-E145 PolarHBondContact O-N 2.87Å; E145-I149 WeakPolarHBondContact O-CD1 3.21Å; E145-I149 WeakPolarHBondContact O-CG1 3.29Å |
| 146 | K | 82 | Confident | 73 | Confident | 156 Ų | 156 | 113.3 Ų | 113.3 | 68% | 0.678 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.1 | -35.2 | 175.7 | -67.1 | 175.4 | -175.5 | -171.3 | 0 | 112.9 | A142 A143 A144 T150 | A142-K146 WeakPolarHBondContact O-CG 3.47Å; A142-K146 PolarHBondContact O-N 3.39Å; A143-K146 PolarHBondContact O-N 2.9Å; A144-K146 VanDerWaalsContact C-N 3.28Å; A144-K146 PolarHBondContact O-N 2.88Å; K146-T150 PolarHBondContact O-OG1 3.27Å |
| 147 | F | 77.3 | Confident | 70.7 | Confident | 171 Ų | 171 | 117.7 Ų | 117.7 | 75% | 0.75 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.7 | -35.4 | 176.1 | -96.1 | -93.7 | 0 | 0 | 0 | 112.5 | A143 A144 I149 T150 | A143-F147 PolarHBondContact O-N 3.17Å; A144-F147 PolarHBondContact O-N 2.62Å; F147-I149 PolarHBondContact O-N 3.37Å; F147-T150 PolarHBondContact O-N 3Å; F147-T150 VanDerWaalsContact O-N 3.16Å |
| 148 | K | 72.2 | Confident | 68.1 | Low | 181 Ų | 181 | 119.3 Ų | 119.3 | 79% | 0.787 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.9 | -19.9 | -177.9 | -155.8 | 166.9 | -175.4 | -178.1 | 0 | 113.8 | A144 | A144-K148 PolarHBondContact O-N 3.05Å |
| 149 | I | 64.8 | Low | 65.6 | Low | 146 Ų | 146 | 120.6 Ų | 120.6 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -14.7 | 177 | -61.3 | 164 | 0 | 0 | 0 | 111.4 | E145 F147 | E145-I149 WeakPolarHBondContact O-CD1 3.21Å; E145-I149 WeakPolarHBondContact O-CG1 3.29Å; F147-I149 PolarHBondContact O-N 3.37Å |
| 150 | T | 61.2 | Low | 63.3 | Low | 111 Ų | 111 | 123.5 Ų | 123.5 | 68% | 0.681 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -94.3 | 11.4 | -175.9 | -48.1 | 0 | 0 | 0 | 0 | 113.7 | K146 F147 P152 | K146-T150 PolarHBondContact O-OG1 3.27Å; F147-T150 PolarHBondContact O-N 3Å; F147-T150 VanDerWaalsContact O-N 3.16Å; T150-P152 VanDerWaalsContact C-CD 3.48Å; T150-P152 WeakPolarHBondContact O-CD 3.45Å |
| 151 | E | 52.1 | Low | 60.9 | Low | 174 Ų | 174 | 122.6 Ų | 122.6 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | trans | -101.9 | 89.1 | 171.9 | -126.9 | 179.3 | 175.5 | 0 | 0 | 110.3 | A153 | E151-A153 PolarHBondContact O-N 2.89Š| ||
| 152 | P | 49 | Very low | 58.5 | Low | 99 Ų | 99 | 122 Ų | 122 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | trans | -67 | 121.4 | 156.4 | 29.8 | -28.2 | 0 | 0 | 0 | 106.3 | T150 V154 | T150-P152 VanDerWaalsContact C-CD 3.48Å; T150-P152 WeakPolarHBondContact O-CD 3.45Å; P152-V154 VanDerWaalsContact C-N 3.29Å; P152-V154 PolarHBondContact O-N 3.5Å | ||
| 153 | A | 46 | Very low | 56.2 | Low | 90 Ų | 90 | 125.6 Ų | 125.6 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | trans | -53.4 | 91.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E151 L155 | E151-A153 PolarHBondContact O-N 2.89Å; A153-L155 VanDerWaalsContact C-N 3.29Å | ||
| 154 | V | 49.5 | Very low | 53.8 | Low | 134 Ų | 134 | 130.9 Ų | 130.9 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | -101.9 | 63.6 | 159.2 | -67 | 0 | 0 | 0 | 0 | 107.5 | P152 T156 | P152-V154 VanDerWaalsContact C-N 3.29Å; P152-V154 PolarHBondContact O-N 3.5Å; V154-T156 PolarHBondContact O-N 3.48Å | ||
| 155 | L | 45.3 | Very low | 51.4 | Low | 144 Ų | 144 | 134.3 Ų | 134.3 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | -58 | 122.4 | 155.6 | -76.4 | 166.9 | 0 | 0 | 0 | 107.4 | A153 | A153-L155 VanDerWaalsContact C-N 3.29Š| ||
| 156 | T | 38.7 | Very low | 49.2 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 58.4 | 88.6 | 149.4 | 60.5 | 0 | 0 | 0 | 0 | 117 | V154 | V154-T156 PolarHBondContact O-N 3.48Š| ||
| 157 | T | 40.2 | Very low | 47 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | -154.9 | 95.6 | 128.7 | 25.3 | 0 | 0 | 0 | 0 | 108.6 | D159 | T157-D159 PolarHBondContact O-N 2.84Š| |||
| 158 | T | 36.4 | Very low | 45.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -53.4 | 103.1 | 146.1 | 43.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 159 | D | 36.8 | Very low | 44.1 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -177.6 | 113.7 | 133.5 | -125.7 | -23.6 | 0 | 0 | 0 | 109.6 | T157 | T157-D159 PolarHBondContact O-N 2.84Š| ||
| 160 | V | 40.5 | Very low | 43.3 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | 33.3 | 108.5 | 131.7 | -168.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 161 | T | 39.8 | Very low | 42.6 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | -177.1 | 118.6 | 112.2 | 26.3 | 0 | 0 | 0 | 0 | 109.5 | T163 | T161-T163 PolarHBondContact O-N 3.41Å; T161-T163 VanDerWaalsContact O-N 3.12Å | |||
| 162 | A | 39.3 | Very low | 42.1 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | -65.5 | 102.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 163 | T | 42.6 | Very low | 42.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | trans | -116.8 | 84.7 | 160.1 | 54.3 | 0 | 0 | 0 | 0 | 104.5 | T161 D165 | T161-T163 PolarHBondContact O-N 3.41Å; T161-T163 VanDerWaalsContact O-N 3.12Å; T163-D165 VanDerWaalsContact C-N 3.29Å; T163-D165 PolarHBondContact O-N 3.45Å | ||
| 164 | N | 39.8 | Very low | 42.2 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | 36.9 | 61.7 | 85.3 | -153.8 | 42.6 | 0 | 0 | 0 | 112.2 | |||||
| 165 | D | 38.4 | Very low | 42.5 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -141.9 | 121.5 | 160.8 | -90.4 | -45.5 | 0 | 0 | 0 | 109.9 | T163 | T163-D165 VanDerWaalsContact C-N 3.29Å; T163-D165 PolarHBondContact O-N 3.45Å | ||
| 166 | E | 40.9 | Very low | 43.2 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 72.9 | 85.1 | 150.3 | -53.9 | -166.1 | 120.8 | 0 | 0 | 117 | P168 | E166-P168 WeakPolarHBondContact O-CD 3.29Š| ||
| 167 | Q | 35.7 | Very low | 44.6 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -37.6 | 117.8 | 147.8 | -69.9 | 172.2 | -60.9 | 0 | 0 | 111.5 | ||||
| 168 | P | 46.9 | Very low | 46.3 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | trans | -76 | 115.9 | 131.5 | 9.5 | 10.8 | 0 | 0 | 0 | 105.5 | E166 A170 | E166-P168 WeakPolarHBondContact O-CD 3.29Å; P168-A170 PolarHBondContact O-N 3.4Å | ||
| 169 | Q | 42.4 | Very low | 48.4 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -58.8 | 76.1 | 164.4 | -171.8 | -178.8 | -21.3 | 0 | 0 | 108.7 | ||||
| 170 | A | 47 | Very low | 50.6 | Low | 79 Ų | 79 | 124.7 Ų | 124.7 | 65% | 0.653 | 69% | 0.685 | S | S | * | * | trans | -96.6 | 104.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 103.6 | P168 S172 | P168-A170 PolarHBondContact O-N 3.4Å; A170-S172 PolarHBondContact O-N 3.25Å | ||
| 171 | E | 46.6 | Very low | 52.8 | Low | 151 Ų | 151 | 122.4 Ų | 122.4 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | -32.6 | 92.1 | 159.7 | -102.1 | 73.2 | -172.9 | 0 | 0 | 109.6 | E173 | E171-E173 PolarHBondContact O-N 2.98Š| ||
| 172 | S | 42.8 | Very low | 55.3 | Low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 65% | 0.653 | S | S | * | * | trans | -74.4 | 75 | 163.1 | 171 | 0 | 0 | 0 | 0 | 104.1 | A170 D174 | A170-S172 PolarHBondContact O-N 3.25Å; S172-D174 PolarHBondContact O-N 2.95Å | ||
| 173 | E | 50 | Low | 57.8 | Low | 151 Ų | 151 | 117.1 Ų | 117.1 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -69.6 | 70.6 | 163.4 | -156 | 158.5 | -143 | 0 | 0 | 105.9 | E171 E175 | E171-E173 PolarHBondContact O-N 2.98Å; E173-E175 HydrophobicContact CG-CG 3.9Å; E173-E175 PolarHBondContact O-N 3.38Å | ||
| 174 | D | 46.4 | Very low | 60.2 | Low | 139 Ų | 139 | 118.1 Ų | 118.1 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | trans | -71.9 | 48.4 | 168 | -168.3 | 27.8 | 0 | 0 | 0 | 107.7 | S172 E176 | S172-D174 PolarHBondContact O-N 2.95Å; D174-E176 PolarHBondContact O-N 3.21Å; D174-E176 VanDerWaalsContact O-N 3.07Å | ||
| 175 | E | 55.9 | Low | 62.8 | Low | 140 Ų | 140 | 117.1 Ų | 117.1 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | trans | -67.5 | 109 | 167.5 | -80.6 | -170.8 | 161.8 | 0 | 0 | 105.5 | E173 E177 | E173-E175 HydrophobicContact CG-CG 3.9Å; E173-E175 PolarHBondContact O-N 3.38Å; E175-E177 VanDerWaalsContact C-N 3.27Å; E175-E177 VanDerWaalsContact O-CG 3.27Å; E175-E177 WeakPolarHBondContact O-CG 3.26Å; E175-E177 PolarHBondContact O-N 3.4Å | ||
| 176 | E | 59.1 | Low | 65.4 | Low | 186 Ų | 186 | 111.9 Ų | 111.9 | 87% | 0.869 | 59% | 0.591 | S | S | * | * | trans | -34.4 | 89.5 | 172.2 | -64.5 | 171 | 165 | 0 | 0 | 110.7 | D174 D178 | D174-E176 PolarHBondContact O-N 3.21Å; D174-E176 VanDerWaalsContact O-N 3.07Å; E176-D178 PolarHBondContact O-N 3.47Å | ||
| 177 | E | 69.2 | Low | 68 | Low | 71 Ų | 71 | 103.8 Ų | 103.8 | 33% | 0.332 | 55% | 0.553 | S | S | . | * | trans | -76 | 87.3 | -176.7 | -74.6 | -154.1 | -177.1 | 0 | 0 | 107.4 | E175 T179 R198 A199 I202 | E175-E177 VanDerWaalsContact C-N 3.27Å; E175-E177 VanDerWaalsContact O-CG 3.27Å; E175-E177 WeakPolarHBondContact O-CG 3.26Å; E175-E177 PolarHBondContact O-N 3.4Å; E177-T179 PolarHBondContact O-N 2.97Å; E177-R198 VanDerWaalsContact OE2-CB 3.23Å; E177-R198 WeakPolarHBondContact OE2-CB 3.36Å; E177-R198 VanDerWaalsContact OE2-CD 3.24Å; E177-R198 WeakPolarHBondContact OE2-CD 3.28Å; E177-R198 WeakPolarHBondContact OE2-CG 3.19Å; E177-R198 IonicContact OE2-CZ 3.7Å; E177-R198 IonicContact OE2-NE 2.67Å; E177-R198 IonicContact OE2-NH1 3.48Å; E177-R198 PolarHBondContact OE2-NH1 2.91Å; E177-A199 WeakPolarHBondContact OE1-CA 3.47Å; E177-A199 VanDerWaalsContact OE1-CB 3.29Å; E177-A199 WeakPolarHBondContact OE1-CB 3.5Å; E177-A199 PolarHBondContact OE1-N 2.98Å; E177-A199 PolarHBondContact OE2-N 3.43Å; E177-A199 VanDerWaalsContact OE2-N 3.15Å; E177-I202 HydrophobicContact CB-CD1 3.85Å; E177-I202 VanDerWaalsContact OE2-CD1 3.3Å; E177-I202 WeakPolarHBondContact OE2-CD1 3.38Å | ||
| 178 | D | 75.8 | Confident | 70.8 | Confident | 71 Ų | 71 | 101.1 Ų | 101.1 | 38% | 0.38 | 54% | 0.541 | S | S | . | . | trans | -59.7 | 101.2 | -174.6 | 177.5 | 17.6 | 0 | 0 | 0 | 111.1 | E176 T180 R206 | E176-D178 PolarHBondContact O-N 3.47Å; D178-T180 VanDerWaalsContact C-N 3.27Å; D178-T180 WeakPolarHBondContact OD1-CB 3.25Å; D178-T180 PolarHBondContact OD1-N 2.99Å; D178-T180 PolarHBondContact OD1-OG1 3.43Å; D178-R206 VanDerWaalsContact O-CZ 3.24Å; D178-R206 PolarHBondContact O-NH2 2.92Å; D178-R206 IonicContact OD1-NH2 3.05Å; D178-R206 PolarHBondContact OD1-NH2 3.3Å; D178-R206 IonicContact OD2-CZ 3.76Å; D178-R206 IonicContact OD2-NH1 3.76Å; D178-R206 PolarHBondContact OD2-NH1 3.06Å; D178-R206 IonicContact OD2-NH2 2.63Å; D178-R206 PolarHBondContact OD2-NH2 3.05Å | ||
| 179 | T | 80.8 | Confident | 73.2 | Confident | 43 Ų | 43 | 98.9 Ų | 98.9 | 26% | 0.264 | 52% | 0.522 | S | S | . | . | trans | -85.3 | 4.7 | 176.5 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | E177 G181 I182 I187 I202 | E177-T179 PolarHBondContact O-N 2.97Å; T179-G181 PolarHBondContact O-N 2.86Å; T179-G181 VanDerWaalsContact O-N 3.1Å; T179-I182 PolarHBondContact O-N 3.48Å; T179-I187 HydrophobicContact CG2-CD1 3.86Å; T179-I202 HydrophobicContact CG2-CD1 4.2Å | ||
| 180 | T | 82.6 | Confident | 75.6 | Confident | 107 Ų | 107 | 90.9 Ų | 90.9 | 66% | 0.656 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 120.5 | -176 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | D178 | D178-T180 VanDerWaalsContact C-N 3.27Å; D178-T180 WeakPolarHBondContact OD1-CB 3.25Å; D178-T180 PolarHBondContact OD1-N 2.99Å; D178-T180 PolarHBondContact OD1-OG1 3.43Å |
| 181 | G | 87.5 | Confident | 77.9 | Confident | 67 Ų | 67 | 90.1 Ų | 90.1 | 69% | 0.691 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 7.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | T179 N210 | T179-G181 PolarHBondContact O-N 2.86Å; T179-G181 VanDerWaalsContact O-N 3.1Å; G181-N210 PolarHBondContact O-ND2 3.29Å |
| 182 | I | 90.9 | Very high | 80.2 | Confident | 14 Ų | 14 | 86.9 Ų | 86.9 | 7% | 0.072 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -115.6 | 131.4 | 176.4 | -52 | 174.5 | 0 | 0 | 0 | 108.9 | T179 I187 I202 L205 R206 | T179-I182 PolarHBondContact O-N 3.48Å; I182-I187 HydrophobicContact CB-CD1 4.36Å; I182-I187 HydrophobicContact CG2-CD1 3.89Å; I182-I187 HydrophobicContact CG2-CG1 3.6Å; I182-I202 HydrophobicContact CD1-CB 4.37Å; I182-I202 HydrophobicContact CD1-CG2 3.77Å; I182-L205 HydrophobicContact CD1-CB 4.37Å; I182-L205 HydrophobicContact CG2-CB 4.15Å; I182-L205 HydrophobicContact CG2-CD1 3.57Å; I182-L205 HydrophobicContact CG2-CG 4.42Å; I182-R206 HydrophobicContact CD1-CG 3.68Å |
| 183 | E | 93.1 | Very high | 82.6 | Confident | 99 Ų | 99 | 87.3 Ų | 87.3 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | trans | -72.4 | 130.2 | 175.6 | -167 | 169 | 174.9 | 0 | 0 | 109.8 | K185 D186 I187 | E183-K185 HydrophobicContact CG-CB 4.17Å; E183-K185 HydrophobicContact CG-CG 4.29Å; E183-K185 PolarHBondContact O-N 2.6Å; E183-K185 IonicContact OE1-NZ 3.28Å; E183-K185 PolarHBondContact OE1-NZ 2.92Å; E183-D186 HydrophobicContact CB-CB 4.46Å; E183-D186 WeakPolarHBondContact O-CB 3.39Å; E183-D186 PolarHBondContact O-N 2.8Å; E183-I187 PolarHBondContact O-N 3.46Å | ||
| 184 | E | 92.4 | Very high | 84.6 | Confident | 127 Ų | 127 | 80.4 Ų | 80.4 | 59% | 0.593 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.1 | -33.7 | -179.8 | -69.1 | 176.3 | 170 | 0 | 0 | 112.1 | D186 I187 E188 | E184-D186 PolarHBondContact O-N 3.13Å; E184-I187 WeakPolarHBondContact O-CB 3.18Å; E184-I187 PolarHBondContact O-N 2.85Å; E184-E188 PolarHBondContact O-N 3.26Å |
| 185 | K | 93.8 | Very high | 86.8 | Confident | 138 Ų | 138 | 80.8 Ų | 80.8 | 60% | 0.6 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.5 | -34.6 | 174.2 | -57.2 | -164.9 | -162.9 | 106.6 | 0 | 112.7 | E183 L189 | E183-K185 HydrophobicContact CG-CB 4.17Å; E183-K185 HydrophobicContact CG-CG 4.29Å; E183-K185 PolarHBondContact O-N 2.6Å; E183-K185 IonicContact OE1-NZ 3.28Å; E183-K185 PolarHBondContact OE1-NZ 2.92Å; K185-L189 WeakPolarHBondContact O-CB 3.42Å; K185-L189 PolarHBondContact O-N 2.92Å |
| 186 | D | 94.4 | Very high | 88.5 | Confident | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -72.3 | -39.3 | 179.9 | -67.6 | -7.7 | 0 | 0 | 0 | 110.8 | E183 E184 L189 V190 L205 L212 | E183-D186 HydrophobicContact CB-CB 4.46Å; E183-D186 WeakPolarHBondContact O-CB 3.39Å; E183-D186 PolarHBondContact O-N 2.8Å; E184-D186 PolarHBondContact O-N 3.13Å; D186-L189 PolarHBondContact O-N 2.92Å; D186-V190 VanDerWaalsContact O-CG2 3.28Å; D186-V190 WeakPolarHBondContact O-CG2 3.44Å; D186-V190 PolarHBondContact O-N 2.87Å; D186-L205 HydrophobicContact CB-CD1 3.95Å; D186-L205 HydrophobicContact CB-CD2 4.16Å; D186-L212 HydrophobicContact CB-CD2 3.46Å; D186-L212 VanDerWaalsContact CB-CD2 3.46Å; D186-L212 HydrophobicContact CB-CG 4.27Å; D186-L212 VanDerWaalsContact CG-CD2 3.46Å; D186-L212 WeakPolarHBondContact OD1-CD1 3.3Å; D186-L212 WeakPolarHBondContact OD1-CD2 3.46Å |
| 187 | I | 94.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -50 | 175.1 | -57.3 | 170.9 | 0 | 0 | 0 | 109.4 | T179 I182 E183 E184 L189 V190 M191 R198 A201 I202 L205 | T179-I187 HydrophobicContact CG2-CD1 3.86Å; I182-I187 HydrophobicContact CB-CD1 4.36Å; I182-I187 HydrophobicContact CG2-CD1 3.89Å; I182-I187 HydrophobicContact CG2-CG1 3.6Å; E183-I187 PolarHBondContact O-N 3.46Å; E184-I187 WeakPolarHBondContact O-CB 3.18Å; E184-I187 PolarHBondContact O-N 2.85Å; I187-L189 VanDerWaalsContact C-N 3.29Å; I187-L189 PolarHBondContact O-N 3.41Å; I187-V190 PolarHBondContact O-N 3.02Å; I187-M191 HydrophobicContact CG2-CG 4.34Å; I187-M191 HydrophobicContact CG2-SD 3.91Å; I187-M191 WeakPolarHBondContact O-CB 3.42Å; I187-M191 VanDerWaalsContact O-CG 3.25Å; I187-M191 WeakPolarHBondContact O-CG 3.4Å; I187-M191 PolarHBondContact O-N 2.94Å; I187-R198 HydrophobicContact CG2-CG 3.74Å; I187-A201 HydrophobicContact CG2-CB 3.99Å; I187-I202 HydrophobicContact CD1-CD1 4.2Å; I187-I202 HydrophobicContact CD1-CG1 3.74Å; I187-I202 HydrophobicContact CG1-CG1 4.11Å; I187-I202 HydrophobicContact CG2-CG1 4.24Å; I187-L205 HydrophobicContact CB-CD1 4.43Å; I187-L205 HydrophobicContact CG1-CD1 3.8Å |
| 188 | E | 95.6 | Very high | 91.3 | Very high | 131 Ų | 131 | 71.5 Ų | 71.5 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.8 | -40 | 176.5 | -73.7 | -176.8 | 179.3 | 0 | 0 | 112.3 | E184 M191 S192 | E184-E188 PolarHBondContact O-N 3.26Å; E188-M191 PolarHBondContact O-N 3.15Å; E188-S192 VanDerWaalsContact O-CB 3.28Å; E188-S192 WeakPolarHBondContact O-CB 3.4Å; E188-S192 PolarHBondContact O-N 2.83Å; E188-S192 PolarHBondContact O-OG 3.16Å |
| 189 | L | 95.8 | Very high | 92.1 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 178.5 | -162 | 68.1 | 0 | 0 | 0 | 111.5 | K185 D186 I187 S192 Q193 L212 I216 | K185-L189 WeakPolarHBondContact O-CB 3.42Å; K185-L189 PolarHBondContact O-N 2.92Å; D186-L189 PolarHBondContact O-N 2.92Å; I187-L189 VanDerWaalsContact C-N 3.29Å; I187-L189 PolarHBondContact O-N 3.41Å; L189-S192 PolarHBondContact O-N 3.3Å; L189-S192 PolarHBondContact O-OG 3.29Å; L189-S192 VanDerWaalsContact O-OG 3.13Å; L189-Q193 HydrophobicContact CD1-CG 4.29Å; L189-Q193 HydrophobicContact CG-CG 4.36Å; L189-Q193 VanDerWaalsContact O-CB 3.26Å; L189-Q193 WeakPolarHBondContact O-CB 3.32Å; L189-Q193 VanDerWaalsContact O-CG 3.29Å; L189-Q193 WeakPolarHBondContact O-CG 3.45Å; L189-Q193 PolarHBondContact O-N 3.04Å; L189-L212 HydrophobicContact CD2-CD2 4.11Å; L189-I216 HydrophobicContact CD2-CD1 4.27Å; L189-I216 HydrophobicContact CG-CD1 4.24Å |
| 190 | V | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 176 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | D186 I187 A194 V196 A201 L205 A215 I216 | D186-V190 VanDerWaalsContact O-CG2 3.28Å; D186-V190 WeakPolarHBondContact O-CG2 3.44Å; D186-V190 PolarHBondContact O-N 2.87Å; I187-V190 PolarHBondContact O-N 3.02Å; V190-A194 HydrophobicContact CG1-CB 4.46Å; V190-A194 WeakPolarHBondContact O-CA 3.14Å; V190-A194 WeakPolarHBondContact O-CB 3.28Å; V190-A194 PolarHBondContact O-N 3.23Å; V190-V196 HydrophobicContact CG1-CG2 4.12Å; V190-A201 HydrophobicContact CB-CB 3.9Å; V190-A201 HydrophobicContact CG1-CB 3.68Å; V190-L205 HydrophobicContact CG2-CD1 4.16Å; V190-L205 HydrophobicContact CG2-CD2 3.99Å; V190-L205 HydrophobicContact CG2-CG 4.06Å; V190-A215 HydrophobicContact CG2-CB 4.02Å; V190-I216 HydrophobicContact CB-CG1 4.37Å; V190-I216 HydrophobicContact CG2-CD1 4.46Å; V190-I216 HydrophobicContact CG2-CG1 3.78Å |
| 191 | M | 94.5 | Very high | 93.1 | Very high | 64 Ų | 64 | 67.4 Ų | 67.4 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 176.9 | -73 | 177.6 | 65.9 | 0 | 0 | 111.8 | I187 E188 N195 V196 R198 A201 | I187-M191 HydrophobicContact CG2-CG 4.34Å; I187-M191 HydrophobicContact CG2-SD 3.91Å; I187-M191 WeakPolarHBondContact O-CB 3.42Å; I187-M191 VanDerWaalsContact O-CG 3.25Å; I187-M191 WeakPolarHBondContact O-CG 3.4Å; I187-M191 PolarHBondContact O-N 2.94Å; E188-M191 PolarHBondContact O-N 3.15Å; M191-N195 WeakPolarHBondContact O-CA 3.29Å; M191-N195 PolarHBondContact O-N 3.22Å; M191-V196 WeakPolarHBondContact CG-O 3.17Å; M191-V196 PolarHBondContact O-N 3.06Å; M191-R198 HydrophobicContact CE-CB 4.04Å; M191-R198 VanDerWaalsContact SD-CA 3.55Å; M191-R198 HydrophobicContact SD-CB 3.65Å; M191-R198 HydrophobicContact SD-CG 3.8Å; M191-A201 HydrophobicContact CG-CB 3.74Å |
| 192 | S | 94.5 | Very high | 93.4 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 58% | 0.58 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -73.1 | -36 | -177.3 | 59 | 0 | 0 | 0 | 0 | 113.4 | E188 L189 | E188-S192 VanDerWaalsContact O-CB 3.28Å; E188-S192 WeakPolarHBondContact O-CB 3.4Å; E188-S192 PolarHBondContact O-N 2.83Å; E188-S192 PolarHBondContact O-OG 3.16Å; L189-S192 PolarHBondContact O-N 3.3Å; L189-S192 PolarHBondContact O-OG 3.29Å; L189-S192 VanDerWaalsContact O-OG 3.13Å |
| 193 | Q | 92.9 | Very high | 93.5 | Very high | 108 Ų | 108 | 71.7 Ų | 71.7 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -87.5 | -38.3 | -177.8 | -65.1 | -168.8 | 17.8 | 0 | 0 | 113.3 | L189 I216 | L189-Q193 HydrophobicContact CD1-CG 4.29Å; L189-Q193 HydrophobicContact CG-CG 4.36Å; L189-Q193 VanDerWaalsContact O-CB 3.26Å; L189-Q193 WeakPolarHBondContact O-CB 3.32Å; L189-Q193 VanDerWaalsContact O-CG 3.29Å; L189-Q193 WeakPolarHBondContact O-CG 3.45Å; L189-Q193 PolarHBondContact O-N 3.04Å; Q193-I216 HydrophobicContact CB-CD1 4.35Å; Q193-I216 HydrophobicContact CB-CG2 4.18Å |
| 194 | A | 93.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 67.7 Ų | 67.7 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -95.3 | -4.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | V190 V196 T219 I220 | V190-A194 HydrophobicContact CG1-CB 4.46Å; V190-A194 WeakPolarHBondContact O-CA 3.14Å; V190-A194 WeakPolarHBondContact O-CB 3.28Å; V190-A194 PolarHBondContact O-N 3.23Å; A194-V196 HydrophobicContact CB-CG1 4.41Å; A194-V196 HydrophobicContact CB-CG2 4.36Å; A194-V196 PolarHBondContact O-N 3.17Å; A194-T219 HydrophobicContact CB-CG2 3.51Å; A194-I220 HydrophobicContact CB-CG1 3.76Å |
| 195 | N | 91.3 | Very high | 93.6 | Very high | 147 Ų | 147 | 61.7 Ų | 61.7 | 79% | 0.786 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 49.5 | 177.8 | -150.3 | 87.2 | 0 | 0 | 0 | 112.7 | M191 | M191-N195 WeakPolarHBondContact O-CA 3.29Å; M191-N195 PolarHBondContact O-N 3.22Å |
| 196 | V | 93 | Very high | 93.6 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 11% | 0.109 | 31% | 0.307 | C | S | . | . | trans | -120.2 | 162 | -178 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | V190 M191 A194 K200 A201 T219 | V190-V196 HydrophobicContact CG1-CG2 4.12Å; M191-V196 WeakPolarHBondContact CG-O 3.17Å; M191-V196 PolarHBondContact O-N 3.06Å; A194-V196 HydrophobicContact CB-CG1 4.41Å; A194-V196 HydrophobicContact CB-CG2 4.36Å; A194-V196 PolarHBondContact O-N 3.17Å; V196-K200 HydrophobicContact CB-CB 4.08Å; V196-K200 HydrophobicContact CB-CD 3.95Å; V196-K200 HydrophobicContact CB-CG 4.08Å; V196-K200 HydrophobicContact CG1-CD 3.73Å; V196-K200 HydrophobicContact CG1-CG 4.22Å; V196-K200 HydrophobicContact CG2-CB 4.39Å; V196-K200 HydrophobicContact CG2-CG 4.44Å; V196-A201 HydrophobicContact CG2-CB 4.18Å; V196-T219 HydrophobicContact CB-CG2 4.04Å; V196-T219 HydrophobicContact CG1-CG2 3.22Å; V196-T219 HydrophobicContact CG2-CG2 3.73Å | ||
| 197 | T | 93.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 68 Ų | 68 | 58% | 0.577 | 34% | 0.339 | S | S | * | . | trans | -66.6 | 158.1 | 173.2 | 58.8 | 0 | 0 | 0 | 0 | 111.7 | A199 K200 A201 | T197-A199 PolarHBondContact O-N 3.49Å; T197-K200 PolarHBondContact O-N 3.06Å; T197-A201 PolarHBondContact O-N 2.96Å | ||
| 198 | R | 92.1 | Very high | 93.4 | Very high | 91 Ų | 91 | 68.8 Ų | 68.8 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.2 | -48.4 | -179.2 | -164.1 | -175.8 | 177.3 | -97 | 12.5 | 112.1 | E177 I187 M191 K200 A201 I202 | E177-R198 VanDerWaalsContact OE2-CB 3.23Å; E177-R198 WeakPolarHBondContact OE2-CB 3.36Å; E177-R198 VanDerWaalsContact OE2-CD 3.24Å; E177-R198 WeakPolarHBondContact OE2-CD 3.28Å; E177-R198 WeakPolarHBondContact OE2-CG 3.19Å; E177-R198 IonicContact OE2-CZ 3.7Å; E177-R198 IonicContact OE2-NE 2.67Å; E177-R198 IonicContact OE2-NH1 3.48Å; E177-R198 PolarHBondContact OE2-NH1 2.91Å; I187-R198 HydrophobicContact CG2-CG 3.74Å; M191-R198 HydrophobicContact CE-CB 4.04Å; M191-R198 VanDerWaalsContact SD-CA 3.55Å; M191-R198 HydrophobicContact SD-CB 3.65Å; M191-R198 HydrophobicContact SD-CG 3.8Å; R198-K200 VanDerWaalsContact C-N 3.28Å; R198-K200 PolarHBondContact O-N 2.95Å; R198-A201 WeakPolarHBondContact O-CB 3.35Å; R198-A201 PolarHBondContact O-N 2.91Å; R198-I202 HydrophobicContact CG-CD1 4.24Å; R198-I202 WeakPolarHBondContact O-CG1 3.19Å; R198-I202 PolarHBondContact O-N 2.97Å |
| 199 | A | 92.5 | Very high | 93.3 | Very high | 49 Ų | 49 | 65.3 Ų | 65.3 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -49.5 | -45.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E177 T197 K203 | E177-A199 WeakPolarHBondContact OE1-CA 3.47Å; E177-A199 VanDerWaalsContact OE1-CB 3.29Å; E177-A199 WeakPolarHBondContact OE1-CB 3.5Å; E177-A199 PolarHBondContact OE1-N 2.98Å; E177-A199 PolarHBondContact OE2-N 3.43Å; E177-A199 VanDerWaalsContact OE2-N 3.15Å; T197-A199 PolarHBondContact O-N 3.49Å; A199-K203 VanDerWaalsContact O-CB 3.32Å; A199-K203 WeakPolarHBondContact O-CB 3.32Å; A199-K203 PolarHBondContact O-N 3.3Å |
| 200 | K | 92.4 | Very high | 93.1 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | -179 | -172.6 | 168.8 | 176.7 | -173.6 | 0 | 111.7 | V196 T197 R198 A204 | V196-K200 HydrophobicContact CB-CB 4.08Å; V196-K200 HydrophobicContact CB-CD 3.95Å; V196-K200 HydrophobicContact CB-CG 4.08Å; V196-K200 HydrophobicContact CG1-CD 3.73Å; V196-K200 HydrophobicContact CG1-CG 4.22Å; V196-K200 HydrophobicContact CG2-CB 4.39Å; V196-K200 HydrophobicContact CG2-CG 4.44Å; T197-K200 PolarHBondContact O-N 3.06Å; R198-K200 VanDerWaalsContact C-N 3.28Å; R198-K200 PolarHBondContact O-N 2.95Å; K200-A204 WeakPolarHBondContact O-CB 3.35Å; K200-A204 PolarHBondContact O-N 2.9Å |
| 201 | A | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I187 V190 M191 V196 T197 R198 K203 A204 L205 | I187-A201 HydrophobicContact CG2-CB 3.99Å; V190-A201 HydrophobicContact CB-CB 3.9Å; V190-A201 HydrophobicContact CG1-CB 3.68Å; M191-A201 HydrophobicContact CG-CB 3.74Å; V196-A201 HydrophobicContact CG2-CB 4.18Å; T197-A201 PolarHBondContact O-N 2.96Å; R198-A201 WeakPolarHBondContact O-CB 3.35Å; R198-A201 PolarHBondContact O-N 2.91Å; A201-K203 VanDerWaalsContact C-N 3.33Å; A201-K203 PolarHBondContact O-N 3Å; A201-A204 WeakPolarHBondContact O-CB 3.4Å; A201-A204 PolarHBondContact O-N 3.17Å; A201-A204 VanDerWaalsContact O-N 3.17Å; A201-L205 WeakPolarHBondContact O-CG 3.25Å; A201-L205 PolarHBondContact O-N 3.36Å |
| 202 | I | 93.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 175.6 | -70.6 | 171.8 | 0 | 0 | 0 | 110.4 | E177 T179 I182 I187 R198 A204 L205 R206 | E177-I202 HydrophobicContact CB-CD1 3.85Å; E177-I202 VanDerWaalsContact OE2-CD1 3.3Å; E177-I202 WeakPolarHBondContact OE2-CD1 3.38Å; T179-I202 HydrophobicContact CG2-CD1 4.2Å; I182-I202 HydrophobicContact CD1-CB 4.37Å; I182-I202 HydrophobicContact CD1-CG2 3.77Å; I187-I202 HydrophobicContact CD1-CD1 4.2Å; I187-I202 HydrophobicContact CD1-CG1 3.74Å; I187-I202 HydrophobicContact CG1-CG1 4.11Å; I187-I202 HydrophobicContact CG2-CG1 4.24Å; R198-I202 HydrophobicContact CG-CD1 4.24Å; R198-I202 WeakPolarHBondContact O-CG1 3.19Å; R198-I202 PolarHBondContact O-N 2.97Å; I202-A204 VanDerWaalsContact C-N 3.32Å; I202-A204 PolarHBondContact O-N 3.32Å; I202-L205 PolarHBondContact O-N 2.93Å; I202-R206 WeakPolarHBondContact O-CG 3.41Å; I202-R206 PolarHBondContact O-N 3.41Å |
| 203 | K | 92.7 | Very high | 93.2 | Very high | 161 Ų | 161 | 69.7 Ų | 69.7 | 70% | 0.7 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.4 | -40 | 177.2 | -173 | 173.8 | -175.5 | 169.9 | 0 | 112.4 | A199 A201 K207 | A199-K203 VanDerWaalsContact O-CB 3.32Å; A199-K203 WeakPolarHBondContact O-CB 3.32Å; A199-K203 PolarHBondContact O-N 3.3Å; A201-K203 VanDerWaalsContact C-N 3.33Å; A201-K203 PolarHBondContact O-N 3Å; K203-K207 VanDerWaalsContact O-CB 3.31Å; K203-K207 WeakPolarHBondContact O-CB 3.42Å; K203-K207 PolarHBondContact O-N 3.23Å |
| 204 | A | 93.7 | Very high | 93.3 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 12% | 0.124 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K200 A201 I202 K207 S208 A215 T219 | K200-A204 WeakPolarHBondContact O-CB 3.35Å; K200-A204 PolarHBondContact O-N 2.9Å; A201-A204 WeakPolarHBondContact O-CB 3.4Å; A201-A204 PolarHBondContact O-N 3.17Å; A201-A204 VanDerWaalsContact O-N 3.17Å; I202-A204 VanDerWaalsContact C-N 3.32Å; I202-A204 PolarHBondContact O-N 3.32Å; A204-K207 PolarHBondContact O-N 2.9Å; A204-S208 WeakPolarHBondContact O-CB 3.35Å; A204-S208 PolarHBondContact O-N 3.32Å; A204-S208 PolarHBondContact O-OG 3.19Å; A204-A215 HydrophobicContact CB-CB 4.17Å; A204-T219 VanDerWaalsContact CB-OG1 3.29Å; A204-T219 WeakPolarHBondContact CB-OG1 3.06Å |
| 205 | L | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 178.3 | -72.2 | 164 | 0 | 0 | 0 | 112.1 | I182 D186 I187 V190 A201 I202 K207 S208 G209 N210 L212 A215 | I182-L205 HydrophobicContact CD1-CB 4.37Å; I182-L205 HydrophobicContact CG2-CB 4.15Å; I182-L205 HydrophobicContact CG2-CD1 3.57Å; I182-L205 HydrophobicContact CG2-CG 4.42Å; D186-L205 HydrophobicContact CB-CD1 3.95Å; D186-L205 HydrophobicContact CB-CD2 4.16Å; I187-L205 HydrophobicContact CB-CD1 4.43Å; I187-L205 HydrophobicContact CG1-CD1 3.8Å; V190-L205 HydrophobicContact CG2-CD1 4.16Å; V190-L205 HydrophobicContact CG2-CD2 3.99Å; V190-L205 HydrophobicContact CG2-CG 4.06Å; A201-L205 WeakPolarHBondContact O-CG 3.25Å; A201-L205 PolarHBondContact O-N 3.36Å; I202-L205 PolarHBondContact O-N 2.93Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-K207 PolarHBondContact O-N 3.23Å; L205-S208 PolarHBondContact O-N 3.39Å; L205-S208 PolarHBondContact O-OG 3.33Å; L205-G209 PolarHBondContact O-N 2.81Å; L205-N210 PolarHBondContact O-N 3.3Å; L205-L212 HydrophobicContact CD2-CD2 4.29Å; L205-A215 HydrophobicContact CD2-CB 3.76Å; L205-A215 HydrophobicContact CG-CB 4.17Å |
| 206 | R | 92.6 | Very high | 93.5 | Very high | 114 Ų | 114 | 61 Ų | 61 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 174.2 | -73.4 | -178.6 | 169.3 | -162.9 | -18.8 | 111.9 | D178 I182 I202 S208 G209 | D178-R206 VanDerWaalsContact O-CZ 3.24Å; D178-R206 PolarHBondContact O-NH2 2.92Å; D178-R206 IonicContact OD1-NH2 3.05Å; D178-R206 PolarHBondContact OD1-NH2 3.3Å; D178-R206 IonicContact OD2-CZ 3.76Å; D178-R206 IonicContact OD2-NH1 3.76Å; D178-R206 PolarHBondContact OD2-NH1 3.06Å; D178-R206 IonicContact OD2-NH2 2.63Å; D178-R206 PolarHBondContact OD2-NH2 3.05Å; I182-R206 HydrophobicContact CD1-CG 3.68Å; I202-R206 WeakPolarHBondContact O-CG 3.41Å; I202-R206 PolarHBondContact O-N 3.41Å; R206-S208 VanDerWaalsContact C-N 3.32Å; R206-S208 PolarHBondContact O-N 3.34Å; R206-G209 PolarHBondContact O-N 3.2Å |
| 207 | K | 93.3 | Very high | 93.6 | Very high | 180 Ų | 180 | 64.8 Ų | 64.8 | 78% | 0.783 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68 | -32.5 | -179.9 | -170.9 | 178.4 | -179.9 | -175 | 0 | 112.3 | K203 A204 L205 | K203-K207 VanDerWaalsContact O-CB 3.31Å; K203-K207 WeakPolarHBondContact O-CB 3.42Å; K203-K207 PolarHBondContact O-N 3.23Å; A204-K207 PolarHBondContact O-N 2.9Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-K207 PolarHBondContact O-N 3.23Å |
| 208 | S | 92.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -88 | -0.2 | 177.6 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | A204 L205 R206 D211 | A204-S208 WeakPolarHBondContact O-CB 3.35Å; A204-S208 PolarHBondContact O-N 3.32Å; A204-S208 PolarHBondContact O-OG 3.19Å; L205-S208 PolarHBondContact O-N 3.39Å; L205-S208 PolarHBondContact O-OG 3.33Å; R206-S208 VanDerWaalsContact C-N 3.32Å; R206-S208 PolarHBondContact O-N 3.34Å; S208-D211 WeakPolarHBondContact CB-O 3.5Å; S208-D211 WeakPolarHBondContact O-CB 3.44Å; S208-D211 PolarHBondContact O-N 3.47Å; S208-D211 PolarHBondContact OG-N 3.46Å; S208-D211 PolarHBondContact OG-O 3.01Å |
| 209 | G | 92.6 | Very high | 93.6 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 44.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L205 R206 D211 | L205-G209 PolarHBondContact O-N 2.81Å; R206-G209 PolarHBondContact O-N 3.2Å; G209-D211 PolarHBondContact O-N 2.95Å |
| 210 | N | 91.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.353 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 14.1 | -175.3 | -58.5 | 79.1 | 0 | 0 | 0 | 114.5 | G181 L205 L212 | G181-N210 PolarHBondContact O-ND2 3.29Å; L205-N210 PolarHBondContact O-N 3.3Å; N210-L212 PolarHBondContact O-N 3.15Å; N210-L212 VanDerWaalsContact O-N 3.15Å |
| 211 | D | 96.2 | Very high | 93.6 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | trans | -73 | 106.9 | 169 | -178.8 | -16.7 | 0 | 0 | 0 | 109.7 | S208 G209 V213 N214 A215 | S208-D211 WeakPolarHBondContact CB-O 3.5Å; S208-D211 WeakPolarHBondContact O-CB 3.44Å; S208-D211 PolarHBondContact O-N 3.47Å; S208-D211 PolarHBondContact OG-N 3.46Å; S208-D211 PolarHBondContact OG-O 3.01Å; G209-D211 PolarHBondContact O-N 2.95Å; D211-V213 PolarHBondContact OD1-N 2.84Å; D211-N214 HydrophobicContact CB-CB 3.98Å; D211-N214 VanDerWaalsContact CG-CB 3.45Å; D211-N214 PolarHBondContact OD1-N 3.01Å; D211-N214 WeakPolarHBondContact OD2-CB 3.31Å; D211-A215 WeakPolarHBondContact O-CB 3.46Å; D211-A215 PolarHBondContact O-N 2.93Å | ||
| 212 | L | 93.5 | Very high | 93.4 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56 | -48.8 | 177 | -82.8 | 168.5 | 0 | 0 | 0 | 113.3 | D186 L189 L205 N210 A215 I216 | D186-L212 HydrophobicContact CB-CD2 3.46Å; D186-L212 VanDerWaalsContact CB-CD2 3.46Å; D186-L212 HydrophobicContact CB-CG 4.27Å; D186-L212 VanDerWaalsContact CG-CD2 3.46Å; D186-L212 WeakPolarHBondContact OD1-CD1 3.3Å; D186-L212 WeakPolarHBondContact OD1-CD2 3.46Å; L189-L212 HydrophobicContact CD2-CD2 4.11Å; L205-L212 HydrophobicContact CD2-CD2 4.29Å; N210-L212 PolarHBondContact O-N 3.15Å; N210-L212 VanDerWaalsContact O-N 3.15Å; L212-A215 PolarHBondContact O-N 2.77Å; L212-I216 WeakPolarHBondContact O-CB 3.36Å; L212-I216 WeakPolarHBondContact O-CG1 3.45Å; L212-I216 PolarHBondContact O-N 2.68Å |
| 213 | V | 95 | Very high | 92.9 | Very high | 111 Ų | 111 | 67 Ų | 67 | 67% | 0.673 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -70.5 | -43.6 | -173 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | D211 I216 M217 | D211-V213 PolarHBondContact OD1-N 2.84Å; V213-I216 PolarHBondContact O-N 3.33Å; V213-M217 WeakPolarHBondContact O-CB 3.34Å; V213-M217 PolarHBondContact O-N 2.71Å |
| 214 | N | 94.6 | Very high | 92.4 | Very high | 57 Ų | 57 | 66 Ų | 66 | 31% | 0.305 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 176.4 | -170.5 | 32.4 | 0 | 0 | 0 | 111.6 | D211 I216 M217 V218 | D211-N214 HydrophobicContact CB-CB 3.98Å; D211-N214 VanDerWaalsContact CG-CB 3.45Å; D211-N214 PolarHBondContact OD1-N 3.01Å; D211-N214 WeakPolarHBondContact OD2-CB 3.31Å; N214-I216 PolarHBondContact O-N 3.19Å; N214-M217 PolarHBondContact O-N 2.74Å; N214-V218 VanDerWaalsContact O-CB 3.3Å; N214-V218 WeakPolarHBondContact O-CB 3Å; N214-V218 VanDerWaalsContact O-CG2 3.25Å; N214-V218 WeakPolarHBondContact O-CG2 3.29Å; N214-V218 PolarHBondContact O-N 2.77Å; N214-V218 WeakPolarHBondContact OD1-CG2 3.44Å |
| 215 | A | 95.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.008 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V190 A204 L205 D211 L212 T219 | V190-A215 HydrophobicContact CG2-CB 4.02Å; A204-A215 HydrophobicContact CB-CB 4.17Å; L205-A215 HydrophobicContact CD2-CB 3.76Å; L205-A215 HydrophobicContact CG-CB 4.17Å; D211-A215 WeakPolarHBondContact O-CB 3.46Å; D211-A215 PolarHBondContact O-N 2.93Å; L212-A215 PolarHBondContact O-N 2.77Å; A215-T219 WeakPolarHBondContact O-CB 3.24Å; A215-T219 PolarHBondContact O-N 2.92Å; A215-T219 PolarHBondContact O-OG1 2.96Å |
| 216 | I | 95.1 | Very high | 91.2 | Very high | 19 Ų | 19 | 76.3 Ų | 76.3 | 10% | 0.097 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65 | -48.2 | -180 | -67.5 | 170 | 0 | 0 | 0 | 110.6 | L189 V190 Q193 L212 V213 N214 T219 I220 | L189-I216 HydrophobicContact CD2-CD1 4.27Å; L189-I216 HydrophobicContact CG-CD1 4.24Å; V190-I216 HydrophobicContact CB-CG1 4.37Å; V190-I216 HydrophobicContact CG2-CD1 4.46Å; V190-I216 HydrophobicContact CG2-CG1 3.78Å; Q193-I216 HydrophobicContact CB-CD1 4.35Å; Q193-I216 HydrophobicContact CB-CG2 4.18Å; L212-I216 WeakPolarHBondContact O-CB 3.36Å; L212-I216 WeakPolarHBondContact O-CG1 3.45Å; L212-I216 PolarHBondContact O-N 2.68Å; V213-I216 PolarHBondContact O-N 3.33Å; N214-I216 PolarHBondContact O-N 3.19Å; I216-T219 PolarHBondContact O-N 2.69Å; I216-I220 HydrophobicContact CG2-CD1 3.6Å; I216-I220 HydrophobicContact CG2-CG1 4.36Å; I216-I220 WeakPolarHBondContact O-CB 3.23Å; I216-I220 VanDerWaalsContact O-CG1 3.3Å; I216-I220 WeakPolarHBondContact O-CG1 3.3Å; I216-I220 PolarHBondContact O-N 2.68Å |
| 217 | M | 94.6 | Very high | 91.2 | Very high | 99 Ų | 99 | 74.3 Ų | 74.3 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.2 | -51.8 | -179.9 | -177.5 | -178.7 | 68.9 | 0 | 0 | 111.5 | V213 N214 T219 I220 L221 | V213-M217 WeakPolarHBondContact O-CB 3.34Å; V213-M217 PolarHBondContact O-N 2.71Å; N214-M217 PolarHBondContact O-N 2.74Å; M217-T219 VanDerWaalsContact C-N 3.27Å; M217-T219 PolarHBondContact O-N 2.79Å; M217-I220 PolarHBondContact O-N 3.48Å; M217-L221 HydrophobicContact CG-CD1 3.81Å; M217-L221 HydrophobicContact CG-CG 4.37Å; M217-L221 WeakPolarHBondContact O-CB 3.49Å; M217-L221 WeakPolarHBondContact O-CG 3.17Å; M217-L221 PolarHBondContact O-N 2.61Å |
| 218 | V | 91.7 | Very high | 91 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 179.6 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | N214 N222 | N214-V218 VanDerWaalsContact O-CB 3.3Å; N214-V218 WeakPolarHBondContact O-CB 3Å; N214-V218 VanDerWaalsContact O-CG2 3.25Å; N214-V218 WeakPolarHBondContact O-CG2 3.29Å; N214-V218 PolarHBondContact O-N 2.77Å; N214-V218 WeakPolarHBondContact OD1-CG2 3.44Å; V218-N222 VanDerWaalsContact O-CB 3.29Å; V218-N222 WeakPolarHBondContact O-CB 3.27Å; V218-N222 PolarHBondContact O-N 3.1Å |
| 219 | T | 92.8 | Very high | 91 | Very high | 4 Ų | 4 | 71.2 Ų | 71.2 | 3% | 0.025 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -70 | -41.1 | -179.3 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | A194 V196 A204 A215 I216 M217 S223 | A194-T219 HydrophobicContact CB-CG2 3.51Å; V196-T219 HydrophobicContact CB-CG2 4.04Å; V196-T219 HydrophobicContact CG1-CG2 3.22Å; V196-T219 HydrophobicContact CG2-CG2 3.73Å; A204-T219 VanDerWaalsContact CB-OG1 3.29Å; A204-T219 WeakPolarHBondContact CB-OG1 3.06Å; A215-T219 WeakPolarHBondContact O-CB 3.24Å; A215-T219 PolarHBondContact O-N 2.92Å; A215-T219 PolarHBondContact O-OG1 2.96Å; I216-T219 PolarHBondContact O-N 2.69Å; M217-T219 VanDerWaalsContact C-N 3.27Å; M217-T219 PolarHBondContact O-N 2.79Å; T219-S223 PolarHBondContact O-N 3.38Å |
| 220 | I | 94.3 | Very high | 90.9 | Very high | 60 Ų | 60 | 72 Ų | 72 | 31% | 0.308 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 174.2 | -67.9 | 172 | 0 | 0 | 0 | 110.6 | A194 I216 M217 N222 S223 L224 | A194-I220 HydrophobicContact CB-CG1 3.76Å; I216-I220 HydrophobicContact CG2-CD1 3.6Å; I216-I220 HydrophobicContact CG2-CG1 4.36Å; I216-I220 WeakPolarHBondContact O-CB 3.23Å; I216-I220 VanDerWaalsContact O-CG1 3.3Å; I216-I220 WeakPolarHBondContact O-CG1 3.3Å; I216-I220 PolarHBondContact O-N 2.68Å; M217-I220 PolarHBondContact O-N 3.48Å; I220-N222 VanDerWaalsContact C-N 3.28Å; I220-N222 PolarHBondContact O-N 2.93Å; I220-S223 PolarHBondContact O-N 3.28Å; I220-S223 VanDerWaalsContact O-N 3.08Å; I220-S223 PolarHBondContact O-OG 3.3Å; I220-L224 HydrophobicContact CG2-CD1 3.89Å; I220-L224 HydrophobicContact CG2-CG 4.38Å; I220-L224 WeakPolarHBondContact O-CG 3.08Å; I220-L224 PolarHBondContact O-N 3.07Å; I220-L224 VanDerWaalsContact O-N 3.11Å |
| 221 | L | 92.1 | Very high | 90.8 | Very high | 100 Ų | 100 | 72.4 Ų | 72.4 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 177.7 | -71.5 | 173.6 | 0 | 0 | 0 | 111.7 | M217 S223 L224 S225 | M217-L221 HydrophobicContact CG-CD1 3.81Å; M217-L221 HydrophobicContact CG-CG 4.37Å; M217-L221 WeakPolarHBondContact O-CB 3.49Å; M217-L221 WeakPolarHBondContact O-CG 3.17Å; M217-L221 PolarHBondContact O-N 2.61Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 3.01Å; L221-L224 PolarHBondContact O-N 3.12Å; L221-S225 PolarHBondContact O-N 3.19Å |
| 222 | N | 88.4 | Confident | 90.4 | Very high | 100 Ų | 100 | 72 Ų | 72 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.4 | -17.6 | 175.5 | -74.2 | -5.8 | 0 | 0 | 0 | 114 | V218 I220 | V218-N222 VanDerWaalsContact O-CB 3.29Å; V218-N222 WeakPolarHBondContact O-CB 3.27Å; V218-N222 PolarHBondContact O-N 3.1Å; I220-N222 VanDerWaalsContact C-N 3.28Å; I220-N222 PolarHBondContact O-N 2.93Å |
| 223 | S | 82.9 | Confident | 90.2 | Very high | 64 Ų | 64 | 73.6 Ų | 73.6 | 45% | 0.448 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -91.9 | -16.7 | 175 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | T219 I220 L221 | T219-S223 PolarHBondContact O-N 3.38Å; I220-S223 PolarHBondContact O-N 3.28Å; I220-S223 VanDerWaalsContact O-N 3.08Å; I220-S223 PolarHBondContact O-OG 3.3Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 3.01Å |
| 224 | L | 83.2 | Confident | 89.8 | Confident | 139 Ų | 139 | 70.5 Ų | 70.5 | 73% | 0.728 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -93.6 | -11.3 | 176.2 | -66 | 176.9 | 0 | 0 | 0 | 113.8 | I220 L221 | I220-L224 HydrophobicContact CG2-CD1 3.89Å; I220-L224 HydrophobicContact CG2-CG 4.38Å; I220-L224 WeakPolarHBondContact O-CG 3.08Å; I220-L224 PolarHBondContact O-N 3.07Å; I220-L224 VanDerWaalsContact O-N 3.11Å; L221-L224 PolarHBondContact O-N 3.12Å |
| 225 | S | 72.6 | Confident | 89.4 | Confident | 155 Ų | 155 | 71.7 Ų | 71.7 | 100% | 1.084 | 41% | 0.412 | S | S | * | . | trans | -92.8 | 0 | 175 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | L221 | L221-S225 PolarHBondContact O-N 3.19Š|
Retrieved 225 of 225 residues in 362.8 ms
(Link to these results)