| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.9 | Very low | 62.9 | Low | 229 Ų | 229 | 139.1 Ų | 139.1 | 100% | 1.128 | 70% | 0.704 | S | S | * | * | 0 | 100.9 | 0 | -68.6 | 78.6 | 176.5 | 0 | 0 | 107 | |||||
| 2 | D | 57.6 | Low | 62.5 | Low | 163 Ų | 163 | 144 Ų | 144 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 125.7 | -172.9 | -54.3 | -85.5 | 0 | 0 | 0 | 110.9 | ||
| 3 | Q | 68.4 | Low | 62 | Low | 160 Ų | 160 | 151 Ų | 151 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 129.1 | 176.3 | -68.7 | 177.2 | -32.2 | 0 | 0 | 109.3 | ||
| 4 | S | 71.9 | Confident | 61.1 | Low | 82 Ų | 82 | 151.1 Ų | 151.1 | 57% | 0.573 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 140.1 | 179.6 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | E6 D7 | S4-E6 PolarHBondContact O-N 3.46Å; S4-E6 VanDerWaalsContact O-N 3.07Å; S4-D7 PolarHBondContact O-N 3.02Å; S4-D7 VanDerWaalsContact O-N 3.11Å |
| 5 | L | 66 | Low | 60.5 | Low | 126 Ų | 126 | 157.5 Ų | 157.5 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -57.8 | -24.7 | -174.7 | -150.7 | 91.5 | 0 | 0 | 0 | 112.9 | D7 | L5-D7 PolarHBondContact O-N 3.26Å |
| 6 | E | 66.7 | Low | 59.8 | Low | 137 Ų | 137 | 156.8 Ų | 156.8 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -66.4 | -27.9 | 177.9 | -75.2 | 68.6 | -150.4 | 0 | 0 | 114.3 | S4 | S4-E6 PolarHBondContact O-N 3.46Å; S4-E6 VanDerWaalsContact O-N 3.07Å |
| 7 | D | 64.9 | Low | 59.3 | Low | 87 Ų | 87 | 154.6 Ų | 154.6 | 47% | 0.465 | 75% | 0.754 | S | S | . | * | H | α-helix | trans | -77.2 | -34.1 | -177.6 | -165 | -103.4 | 0 | 0 | 0 | 112.2 | S4 L5 I9 Q10 | S4-D7 PolarHBondContact O-N 3.02Å; S4-D7 VanDerWaalsContact O-N 3.11Å; L5-D7 PolarHBondContact O-N 3.26Å; D7-I9 VanDerWaalsContact C-N 3.3Å; D7-I9 PolarHBondContact O-N 3.24Å; D7-Q10 PolarHBondContact O-N 3.21Å |
| 8 | I | 64 | Low | 58.4 | Low | 103 Ų | 103 | 160.1 Ų | 160.1 | 53% | 0.528 | 77% | 0.765 | S | S | . | * | H | α-helix | trans | -69.2 | -29.3 | -178.9 | -62.9 | 171.3 | 0 | 0 | 0 | 111.6 | ||
| 9 | I | 64.6 | Low | 57.7 | Low | 130 Ų | 130 | 156.2 Ų | 156.2 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -79.8 | -24.8 | -176.2 | -63.1 | 172.9 | 0 | 0 | 0 | 111.6 | D7 | D7-I9 VanDerWaalsContact C-N 3.3Å; D7-I9 PolarHBondContact O-N 3.24Å |
| 10 | Q | 61.2 | Low | 57.1 | Low | 163 Ų | 163 | 161.5 Ų | 161.5 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | H | α-helix | trans | -83.1 | -19.1 | -178.2 | -65.7 | -163.7 | -1.7 | 0 | 0 | 114.3 | D7 K12 | D7-Q10 PolarHBondContact O-N 3.21Å; Q10-K12 PolarHBondContact O-N 3.49Å |
| 11 | Q | 58.9 | Low | 56.6 | Low | 150 Ų | 150 | 157.7 Ų | 157.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -10.7 | -172.1 | -73.4 | -170.3 | -10.1 | 0 | 0 | 116.3 | ||
| 12 | K | 58.2 | Low | 56.4 | Low | 198 Ų | 198 | 159.2 Ų | 159.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 11.9 | -171.7 | -82.3 | -174.9 | 175.6 | -179.9 | 0 | 116.5 | Q10 | Q10-K12 PolarHBondContact O-N 3.49Š|
| 13 | R | 55.7 | Low | 55.8 | Low | 235 Ų | 235 | 155.5 Ų | 155.5 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -97.4 | 6.9 | -171.6 | -115.8 | 177.6 | 169.8 | 161 | -2.4 | 117.2 | ||
| 14 | I | 49.8 | Very low | 54.5 | Low | 152 Ų | 152 | 160.4 Ų | 160.4 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -138 | 104.8 | -173.1 | -51.6 | 177.1 | 0 | 0 | 0 | 111.3 | ||||
| 15 | R | 51.4 | Low | 53.2 | Low | 247 Ų | 247 | 160.7 Ų | 160.7 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -173.6 | 89.9 | 143 | -99.8 | 163.3 | -158.9 | -138 | 7.3 | 110.9 | ||||
| 16 | V | 49.2 | Very low | 51.9 | Low | 146 Ų | 146 | 167.2 Ų | 167.2 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -81.3 | 121.7 | 165.9 | 171.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 17 | T | 52.3 | Low | 50.7 | Low | 120 Ų | 120 | 164.3 Ų | 164.3 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | trans | -167.7 | 100.3 | 157.1 | 148.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 18 | R | 42.1 | Very low | 49.7 | Very low | 253 Ų | 253 | 164 Ų | 164 | 96% | 0.955 | 85% | 0.846 | S | S | * | * | 69.4 | 103.8 | 98.7 | -117.1 | 177.4 | 177.1 | 154.8 | -1.6 | 114.4 | |||||
| 19 | G | 46.1 | Very low | 48.9 | Very low | 86 Ų | 86 | 167.8 Ų | 167.8 | 89% | 0.887 | 86% | 0.861 | S | S | * | * | trans | -162.4 | 121.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 20 | R | 45.9 | Very low | 48.1 | Very low | 263 Ų | 263 | 166.1 Ų | 166.1 | 99% | 0.992 | 86% | 0.861 | S | S | * | * | trans | -101 | 140.7 | -164.3 | -143.1 | 179.8 | -176.5 | 171.1 | -1.4 | 109.3 | ||||
| 21 | G | 46.1 | Very low | 47.5 | Very low | 81 Ų | 81 | 165.1 Ų | 165.1 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | trans | -174.9 | 109.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 22 | R | 44 | Very low | 46.7 | Very low | 262 Ų | 262 | 169.3 Ų | 169.3 | 99% | 0.989 | 87% | 0.869 | S | S | * | * | trans | -89.5 | 147.9 | 177.8 | -80.8 | 178.5 | 168 | 177.9 | -3.3 | 111.1 | ||||
| 23 | G | 45.4 | Very low | 46 | Very low | 84 Ų | 84 | 163 Ų | 163 | 87% | 0.866 | 86% | 0.861 | S | S | * | * | trans | -172 | 111.8 | 161 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 24 | R | 39.3 | Very low | 45.7 | Very low | 264 Ų | 264 | 157.9 Ų | 157.9 | 100% | 0.996 | 86% | 0.856 | S | S | * | * | trans | -103.2 | 142.5 | 177.4 | -113.3 | -174.9 | -179.1 | -169.5 | 1.2 | 108.7 | ||||
| 25 | G | 45.5 | Very low | 45.5 | Very low | 87 Ų | 87 | 161.5 Ų | 161.5 | 90% | 0.897 | 86% | 0.86 | S | S | * | * | trans | -167.3 | 122.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 26 | R | 39.5 | Very low | 45 | Very low | 264 Ų | 264 | 161.7 Ų | 161.7 | 100% | 0.996 | 86% | 0.86 | S | S | * | * | trans | -119.4 | 141.8 | -180 | -118.6 | -169.6 | -176.1 | -170.2 | 1.3 | 108 | ||||
| 27 | G | 40.4 | Very low | 44.4 | Very low | 76 Ų | 76 | 159 Ų | 159 | 78% | 0.784 | 86% | 0.862 | S | S | * | * | trans | 171.3 | 118.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 28 | G | 44.3 | Very low | 43.9 | Very low | 80 Ų | 80 | 156.8 Ų | 156.8 | 83% | 0.825 | 86% | 0.863 | S | S | * | * | 77.2 | 129.2 | 88.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 29 | E | 46.5 | Very low | 43.9 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 86% | 0.86 | S | S | * | * | cis | 179.1 | 149.8 | 33.5 | -175.6 | 166.5 | 94.8 | 0 | 0 | 109.7 | ||||
| 30 | S | 47.4 | Very low | 43.8 | Very low | 94 Ų | 94 | 152 Ų | 152 | 66% | 0.657 | 85% | 0.854 | S | S | * | * | trans | 35.1 | 145.5 | 149.9 | -49.8 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 31 | L | 49.8 | Very low | 43.8 | Very low | 143 Ų | 143 | 151.4 Ų | 151.4 | 75% | 0.749 | 85% | 0.852 | S | S | * | * | trans | 132.4 | 104.8 | 132.4 | -68.2 | 148.6 | 0 | 0 | 0 | 117.2 | ||||
| 32 | R | 42 | Very low | 43.6 | Very low | 237 Ų | 237 | 158.3 Ų | 158.3 | 89% | 0.894 | 85% | 0.853 | S | S | * | * | 60.5 | 129.1 | 126.5 | -69.1 | 179.4 | 175.7 | 175.5 | -1.5 | 121.9 | |||||
| 33 | G | 43.9 | Very low | 43.6 | Very low | 67 Ų | 67 | 152.3 Ų | 152.3 | 69% | 0.691 | 84% | 0.84 | S | S | * | * | trans | 108.2 | 105.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 34 | V | 48.3 | Very low | 44 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | 97.3 | 112.6 | 87.3 | 159.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 35 | R | 45 | Very low | 44.1 | Very low | 228 Ų | 228 | 149 Ų | 149 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 80.4 | 116.5 | 142.5 | -67 | 173.3 | -171.9 | -145.1 | -2 | 122.4 | ||||
| 36 | R | 40.9 | Very low | 44.1 | Very low | 250 Ų | 250 | 147.5 Ų | 147.5 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | 32.1 | 114.4 | 135.2 | -84.3 | -176.3 | 170.3 | 175.9 | -2.9 | 119.1 | ||||
| 37 | G | 36.6 | Very low | 44.5 | Very low | 90 Ų | 90 | 141.8 Ų | 141.8 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | 95 | 108.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 38 | G | 43.7 | Very low | 45.1 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 131.8 | 109.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 39 | V | 42.1 | Very low | 45.6 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | 21.2 | 117.7 | 150.4 | -166.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 40 | A | 42.8 | Very low | 45.8 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -159.4 | 104.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 111 | R42 | A40-R42 PolarHBondContact O-N 2.97Š| ||
| 41 | R | 46.7 | Very low | 46.4 | Very low | 250 Ų | 250 | 149.2 Ų | 149.2 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | -61.7 | 117.7 | 167.9 | -68.7 | -171 | 178.4 | -169.1 | 0.8 | 108 | N43 | R41-N43 PolarHBondContact O-N 3.34Š| ||
| 42 | R | 42.2 | Very low | 46.6 | Very low | 227 Ų | 227 | 148 Ų | 148 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -81.5 | 104.1 | -173.7 | -140.3 | -177.4 | -64.2 | 175.4 | 1 | 109.8 | A40 T44 | A40-R42 PolarHBondContact O-N 2.97Å; R42-T44 PolarHBondContact O-N 3.25Å | ||
| 43 | N | 43 | Very low | 47 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -54.2 | 113.3 | 163.7 | -178.6 | 11.4 | 0 | 0 | 0 | 109.6 | R41 | R41-N43 PolarHBondContact O-N 3.34Š| ||
| 44 | T | 53.3 | Low | 47.3 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -110.6 | 76.2 | 173.9 | 38.9 | 0 | 0 | 0 | 0 | 108.9 | R42 G46 | R42-T44 PolarHBondContact O-N 3.25Å; T44-G46 PolarHBondContact O-N 3.25Å | ||
| 45 | N | 41.7 | Very low | 47.9 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -59.5 | 98.6 | 159.8 | -113.6 | 23 | 0 | 0 | 0 | 108.3 | ||||
| 46 | G | 46.2 | Very low | 48.3 | Very low | 55 Ų | 55 | 150 Ų | 150 | 57% | 0.567 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 152.9 | 108.3 | 169 | 0 | 0 | 0 | 0 | 0 | 115 | T44 | T44-G46 PolarHBondContact O-N 3.25Š|
| 47 | L | 47.8 | Very low | 48.8 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 82.5 | 72.3 | 158.9 | -58.5 | 87.5 | 0 | 0 | 0 | 118 | ||||
| 48 | S | 52.1 | Low | 49.8 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -113.6 | 120.7 | 142.9 | 69.1 | 0 | 0 | 0 | 0 | 109 | A50 | S48-A50 PolarHBondContact O-N 3.17Š| ||
| 49 | R | 54.8 | Low | 50.4 | Low | 208 Ų | 208 | 152.9 Ų | 152.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 125.9 | 176.1 | -108.2 | 78.8 | -95.6 | -158.2 | -3 | 108.2 | ||
| 50 | A | 52.6 | Low | 50.7 | Low | 95 Ų | 95 | 154 Ų | 154 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 131.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S48 | S48-A50 PolarHBondContact O-N 3.17Š|
| 51 | L | 59.8 | Low | 51 | Low | 170 Ų | 170 | 158.7 Ų | 158.7 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 127.7 | 154.7 | -71.4 | 156.4 | 0 | 0 | 0 | 107.3 | ||
| 52 | P | 52.4 | Low | 51.1 | Low | 119 Ų | 119 | 153.9 Ų | 153.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 153.9 | 175.6 | 32.8 | -29.6 | 0 | 0 | 0 | 111.1 | ||
| 53 | D | 51.2 | Low | 51.5 | Low | 136 Ų | 136 | 147 Ų | 147 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 79.9 | 64.7 | 168.5 | -125.6 | 75.3 | 0 | 0 | 0 | 117.9 | ||||
| 54 | K | 50 | Low | 51.7 | Low | 169 Ų | 169 | 150.7 Ų | 150.7 | 74% | 0.735 | 79% | 0.785 | S | S | * | * | trans | -124.8 | 104.2 | 151.7 | -159.6 | 160.4 | -74 | -73.2 | 0 | 109.1 | Q56 | K54-Q56 HydrophobicContact CB-CG 4.28Å; K54-Q56 HydrophobicContact CG-CG 4.07Å; K54-Q56 WeakPolarHBondContact O-CG 3.19Å; K54-Q56 PolarHBondContact O-N 3.3Å | ||
| 55 | W | 60.1 | Low | 51.6 | Low | 232 Ų | 232 | 149.7 Ų | 149.7 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -52.4 | 106.3 | 164.2 | -75.9 | 73 | 0 | 0 | 0 | 108.5 | ||||
| 56 | Q | 55.2 | Low | 52 | Low | 164 Ų | 164 | 148.7 Ų | 148.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -117.7 | 109.2 | 175.8 | -59.7 | -138.5 | 100.8 | 0 | 0 | 107.7 | K54 | K54-Q56 HydrophobicContact CB-CG 4.28Å; K54-Q56 HydrophobicContact CG-CG 4.07Å; K54-Q56 WeakPolarHBondContact O-CG 3.19Å; K54-Q56 PolarHBondContact O-N 3.3Å | ||
| 57 | H | 50.5 | Low | 52.2 | Low | 160 Ų | 160 | 154.8 Ų | 154.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -74 | 128.7 | -178.7 | -140 | 91.5 | 0 | 0 | 0 | 109.4 | M59 | H57-M59 PolarHBondContact O-N 3.03Š| ||
| 58 | D | 58.6 | Low | 52.3 | Low | 145 Ų | 145 | 151.4 Ų | 151.4 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 19.4 | -168.8 | 52.1 | -48.9 | 0 | 0 | 0 | 115.1 | ||
| 59 | M | 55.6 | Low | 52.1 | Low | 168 Ų | 168 | 151.1 Ų | 151.1 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | 16.1 | 177 | -70.8 | -147.7 | 164.2 | 0 | 0 | 115.4 | H57 | H57-M59 PolarHBondContact O-N 3.03Š|
| 60 | F | 48.2 | Very low | 51.7 | Low | 172 Ų | 172 | 147.5 Ų | 147.5 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -122.5 | 80.8 | 177 | -125.4 | -101.3 | 0 | 0 | 0 | 111.1 | ||||
| 61 | Q | 49.6 | Very low | 51.7 | Low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -93.5 | 136.2 | 160.2 | -78.2 | 171.2 | 63.2 | 0 | 0 | 107.6 | ||||
| 62 | D | 48.7 | Very low | 51.1 | Low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 110.2 | 129.8 | 169.1 | -142.2 | -93.6 | 0 | 0 | 0 | 116 | R64 | D62-R64 VanDerWaalsContact C-N 3.28Å; D62-R64 PolarHBondContact O-N 3.28Å |
| 63 | G | 49.3 | Very low | 51.1 | Low | 82 Ų | 82 | 140.9 Ų | 140.9 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -72.1 | 64.7 | -163 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 64 | R | 47.9 | Very low | 51.3 | Low | 213 Ų | 213 | 137.6 Ų | 137.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -113.7 | 105.1 | 177.5 | -160.4 | 174.1 | -108.2 | -162.3 | -3.3 | 109.5 | D62 | D62-R64 VanDerWaalsContact C-N 3.28Å; D62-R64 PolarHBondContact O-N 3.28Å | ||
| 65 | S | 51.2 | Low | 52 | Low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -44.1 | 139.9 | 171.2 | -48.3 | 0 | 0 | 0 | 0 | 111 | K67 | S65-K67 VanDerWaalsContact C-N 3.26Å; S65-K67 PolarHBondContact O-N 2.88Å | ||
| 66 | P | 51.2 | Low | 52.6 | Low | 136 Ų | 136 | 125.1 Ų | 125.1 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -74.7 | 82.4 | -176.3 | 31.9 | -33 | 0 | 0 | 0 | 109.3 | G68 | P66-G68 PolarHBondContact O-N 3.2Š| ||
| 67 | K | 49.3 | Very low | 54.2 | Low | 183 Ų | 183 | 118.8 Ų | 118.8 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | trans | -82.7 | 92.3 | 164.4 | -141.4 | -171.6 | -174 | -170.9 | 0 | 106 | S65 S69 | S65-K67 VanDerWaalsContact C-N 3.26Å; S65-K67 PolarHBondContact O-N 2.88Å; K67-S69 PolarHBondContact O-N 3.19Å | ||
| 68 | G | 49.7 | Very low | 56.2 | Low | 73 Ų | 73 | 115.6 Ų | 115.6 | 75% | 0.753 | 67% | 0.667 | S | S | * | * | trans | -52 | 115.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P66 | P66-G68 PolarHBondContact O-N 3.2Š| ||
| 69 | S | 47.7 | Very low | 57.8 | Low | 109 Ų | 109 | 108.7 Ų | 108.7 | 76% | 0.762 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 46.8 | 139.8 | 154 | -141.2 | 0 | 0 | 0 | 0 | 119.5 | K67 | K67-S69 PolarHBondContact O-N 3.19Š|
| 70 | V | 48.1 | Very low | 59.7 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 81% | 0.806 | 60% | 0.603 | S | S | * | * | trans | 76.2 | 117.7 | 165.3 | -105.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 71 | S | 50.8 | Low | 61.9 | Low | 79 Ų | 79 | 95.1 Ų | 95.1 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | trans | 83.3 | 107.4 | 152.2 | 66.3 | 0 | 0 | 0 | 0 | 119.6 | G73 | S71-G73 PolarHBondContact O-N 3.43Š| ||
| 72 | T | 47.9 | Very low | 64 | Low | 148 Ų | 148 | 87.5 Ų | 87.5 | 91% | 0.908 | 54% | 0.535 | S | S | * | . | trans | -11.1 | 58.8 | 144.9 | -38.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 73 | G | 52.4 | Low | 66.2 | Low | 17 Ų | 17 | 83 Ų | 83 | 18% | 0.175 | 51% | 0.511 | C | S | . | . | trans | -113.7 | 19.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | S71 N75 | S71-G73 PolarHBondContact O-N 3.43Å; G73-N75 PolarHBondContact O-N 3.32Å | ||
| 74 | G | 54.6 | Low | 68.2 | Low | 67 Ų | 67 | 79.2 Ų | 79.2 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -64.1 | -24.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 75 | N | 65.4 | Low | 70.3 | Confident | 137 Ų | 137 | 71.3 Ų | 71.3 | 73% | 0.733 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -132.7 | 13.5 | -174.2 | -62.3 | -42.4 | 0 | 0 | 0 | 113.2 | G73 T77 | G73-N75 PolarHBondContact O-N 3.32Å; N75-T77 PolarHBondContact O-N 2.9Å |
| 76 | A | 73.5 | Confident | 72.2 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 2% | 0.017 | 44% | 0.438 | C | S | . | . | trans | -76.5 | 114.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110 | L151 | A76-L151 HydrophobicContact CB-CD1 3.51Å; A76-L151 HydrophobicContact CB-CD2 3.73Å; A76-L151 HydrophobicContact CB-CG 3.37Å | ||
| 77 | T | 88.1 | Confident | 74 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | trans | -99.9 | -9.2 | 176.4 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | N75 V123 F124 P127 | N75-T77 PolarHBondContact O-N 2.9Å; T77-V123 CarbonylContact O-C 3.51Å; T77-V123 WeakPolarHBondContact O-CA 3.49Å; T77-F124 WeakPolarHBondContact CB-O 3.42Å; T77-F124 PolarHBondContact O-N 3.36Å; T77-P127 HydrophobicContact CG2-CB 4.01Å; T77-P127 HydrophobicContact CG2-CG 4.47Å | ||
| 78 | R | 92.4 | Very high | 76 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129 | -176.3 | -179.3 | -177.8 | -74.4 | 162.1 | -4.7 | 110.7 | E121 V122 V123 V152 | R78-E121 WeakPolarHBondContact CD-OE1 3.49Å; R78-E121 HydrophobicContact CG-CG 3.65Å; R78-E121 WeakPolarHBondContact CG-OE1 3.38Å; R78-E121 IonicContact CZ-OE1 2.62Å; R78-E121 IonicContact NE-OE1 3.36Å; R78-E121 PolarHBondContact NE-OE1 3.27Å; R78-E121 IonicContact NH2-OE1 3.38Å; R78-V122 CarbonylContact C-O 3.56Å; R78-V122 WeakPolarHBondContact CA-O 3.41Å; R78-V123 HydrophobicContact CB-CG2 4.31Å; R78-V123 HydrophobicContact CG-CG2 4.17Å; R78-V152 HydrophobicContact CB-CB 4.3Å; R78-V152 HydrophobicContact CG-CB 4.01Å; R78-V152 HydrophobicContact CG-CG1 4.49Å; R78-V152 PolarHBondContact O-N 3.11Å |
| 79 | L | 93.2 | Very high | 78 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.3 | 171.4 | -61.6 | -173.4 | 0 | 0 | 0 | 109.3 | I81 F97 E121 V122 F124 A130 A133 K134 I149 Q150 L151 | L79-I81 HydrophobicContact CB-CD1 4.4Å; L79-F97 HydrophobicContact CD1-CD1 4.24Å; L79-F97 HydrophobicContact CD1-CE1 3.96Å; L79-E121 CarbonylContact O-C 3.49Å; L79-E121 WeakPolarHBondContact O-CA 3.37Å; L79-V122 HydrophobicContact CB-CB 4.47Å; L79-V122 PolarHBondContact N-O 3.02Å; L79-V122 PolarHBondContact O-N 3.47Å; L79-F124 HydrophobicContact CD1-CD2 4.19Å; L79-F124 HydrophobicContact CD1-CE2 3.58Å; L79-F124 HydrophobicContact CG-CD2 4.32Å; L79-F124 HydrophobicContact CG-CE2 4.16Å; L79-A130 HydrophobicContact CD1-CB 4.47Å; L79-A130 WeakPolarHBondContact CD1-O 3.48Å; L79-A130 HydrophobicContact CD2-CB 3.99Å; L79-A130 HydrophobicContact CG-CB 4.08Å; L79-A133 HydrophobicContact CD1-CB 3.92Å; L79-K134 HydrophobicContact CD2-CB 4.15Å; L79-I149 HydrophobicContact CB-CG2 4.13Å; L79-I149 HydrophobicContact CD1-CG2 3.97Å; L79-I149 HydrophobicContact CD2-CG2 4.17Å; L79-I149 HydrophobicContact CG-CG2 4.33Å; L79-Q150 CarbonylContact C-O 3.55Å; L79-Q150 WeakPolarHBondContact CA-O 3.44Å; L79-L151 HydrophobicContact CD2-CD1 3.64Å |
| 80 | H | 94.4 | Very high | 80.2 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 25% | 0.25 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.9 | 166.9 | -178.8 | -132.8 | 0 | 0 | 0 | 108.4 | A120 I149 Q150 V152 | H80-A120 PolarHBondContact CD2-O 3.08Å; H80-I149 WeakPolarHBondContact O-CA 3.15Å; H80-Q150 PolarHBondContact N-O 3.45Å; H80-Q150 PolarHBondContact O-N 3.36Å; H80-V152 HydrophobicContact CB-CG2 3.47Å; H80-V152 VanDerWaalsContact CB-CG2 3.47Å |
| 81 | I | 94.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.9 | 179.7 | -51.8 | 100.5 | 0 | 0 | 0 | 108.3 | L79 L84 F97 T119 A120 V122 M147 V148 I149 | L79-I81 HydrophobicContact CB-CD1 4.4Å; I81-L84 HydrophobicContact CB-CD1 4.26Å; I81-L84 HydrophobicContact CG2-CD1 3.93Å; I81-L84 HydrophobicContact CG2-CD2 3.67Å; I81-L84 HydrophobicContact CG2-CG 3.81Å; I81-F97 HydrophobicContact CD1-CE2 4.1Å; I81-F97 HydrophobicContact CD1-CZ 3.97Å; I81-F97 HydrophobicContact CG1-CE1 4.48Å; I81-F97 HydrophobicContact CG1-CE2 4.11Å; I81-F97 HydrophobicContact CG1-CZ 3.69Å; I81-T119 CarbonylContact O-C 3.53Å; I81-T119 WeakPolarHBondContact O-CA 3.39Å; I81-A120 HydrophobicContact CB-CB 4.45Å; I81-A120 HydrophobicContact CD1-CB 4.31Å; I81-A120 PolarHBondContact N-O 3.47Å; I81-A120 PolarHBondContact O-N 2.78Å; I81-V122 HydrophobicContact CD1-CB 4.13Å; I81-V122 HydrophobicContact CD1-CG2 3.56Å; I81-M147 HydrophobicContact CG2-CB 4.5Å; I81-V148 CarbonylContact C-O 3.53Å; I81-V148 WeakPolarHBondContact CA-O 3.4Å; I81-I149 HydrophobicContact CG1-CG1 4.05Å; I81-I149 HydrophobicContact CG1-CG2 4.37Å; I81-I149 HydrophobicContact CG2-CG1 4.11Å |
| 82 | S | 94 | Very high | 84.3 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 166.2 | 175.8 | 60.6 | 0 | 0 | 0 | 0 | 111.4 | V148 | S82-V148 PolarHBondContact N-O 3.42Å; S82-V148 PolarHBondContact O-N 3.06Å; S82-V148 WeakPolarHBondContact OG-CB 3.11Å |
| 83 | N | 94.1 | Very high | 86.4 | Confident | 53 Ų | 53 | 49.2 Ų | 49.2 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 64.9 | 34.5 | -174.4 | -164.1 | 48.3 | 0 | 0 | 0 | 114 | G118 R145 P146 V148 | N83-G118 PolarHBondContact N-O 3.37Å; N83-G118 VanDerWaalsContact N-O 3.14Å; N83-R145 WeakPolarHBondContact O-CB 3.37Å; N83-R145 PolarHBondContact OD1-NE 3.5Å; N83-R145 PolarHBondContact OD1-NH2 2.83Å; N83-P146 WeakPolarHBondContact ND2-CD 3.25Å; N83-P146 PolarHBondContact ND2-O 3.48Å; N83-V148 HydrophobicContact CB-CG2 4.4Å |
| 84 | L | 92.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | trans | -77.3 | 153.9 | 171.4 | -62.9 | 170.7 | 0 | 0 | 0 | 111.1 | I81 I93 G118 A120 L142 R145 M147 | I81-L84 HydrophobicContact CB-CD1 4.26Å; I81-L84 HydrophobicContact CG2-CD1 3.93Å; I81-L84 HydrophobicContact CG2-CD2 3.67Å; I81-L84 HydrophobicContact CG2-CG 3.81Å; L84-I93 HydrophobicContact CD1-CD1 3.8Å; L84-I93 HydrophobicContact CD1-CG1 4.47Å; L84-I93 HydrophobicContact CD2-CD1 4.12Å; L84-G118 PolarHBondContact N-O 3.43Å; L84-G118 WeakPolarHBondContact O-CA 3.11Å; L84-A120 HydrophobicContact CD1-CB 3.62Å; L84-L142 HydrophobicContact CD2-CD2 3.95Å; L84-R145 PolarHBondContact O-NH1 3.48Å; L84-R145 VanDerWaalsContact O-NH1 3.16Å; L84-M147 HydrophobicContact CD2-CG 3.96Å; L84-M147 HydrophobicContact CD2-SD 4.11Å | ||
| 85 | D | 91.8 | Very high | 90.3 | Very high | 48 Ų | 48 | 55 Ų | 55 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | trans | -67.6 | 153 | 168.7 | -170.4 | -96.3 | 0 | 0 | 0 | 111.6 | G87 V88 D143 | D85-G87 PolarHBondContact O-N 3.01Å; D85-G87 PolarHBondContact OD1-N 2.97Å; D85-V88 HydrophobicContact CB-CG2 4.14Å; D85-V88 WeakPolarHBondContact O-CB 3.49Å; D85-V88 PolarHBondContact O-N 2.99Å; D85-D143 HydrophobicContact CB-CB 3.81Å | ||
| 86 | F | 90.9 | Very high | 91.5 | Very high | 129 Ų | 129 | 50.3 Ų | 50.3 | 57% | 0.566 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.1 | -177.5 | -57.9 | -61 | 0 | 0 | 0 | 113.4 | S116 | F86-S116 WeakPolarHBondContact CD1-O 3.33Å; F86-S116 WeakPolarHBondContact O-CB 3.44Å |
| 87 | G | 90.4 | Very high | 92.4 | Very high | 47 Ų | 47 | 50.2 Ų | 50.2 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -13.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D85 N89 | D85-G87 PolarHBondContact O-N 3.01Å; D85-G87 PolarHBondContact OD1-N 2.97Å; G87-N89 PolarHBondContact O-N 3.35Å; G87-N89 PolarHBondContact O-ND2 3.35Å |
| 88 | V | 90.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | trans | -73.8 | 124.6 | -177.3 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | D85 D92 I93 L142 | D85-V88 HydrophobicContact CB-CG2 4.14Å; D85-V88 WeakPolarHBondContact O-CB 3.49Å; D85-V88 PolarHBondContact O-N 2.99Å; V88-D92 HydrophobicContact CG1-CB 4.23Å; V88-I93 HydrophobicContact CG1-CD1 3.53Å; V88-I93 HydrophobicContact CG1-CG1 3.62Å; V88-L142 HydrophobicContact CG2-CD2 3.91Å | ||
| 89 | N | 91.7 | Very high | 92.6 | Very high | 75 Ų | 75 | 60.4 Ų | 60.4 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | trans | -106.7 | 172.2 | -179.7 | -61.5 | -56.1 | 0 | 0 | 0 | 113 | G87 D91 D92 I93 Y110 | G87-N89 PolarHBondContact O-N 3.35Å; G87-N89 PolarHBondContact O-ND2 3.35Å; N89-D91 PolarHBondContact O-N 2.95Å; N89-D92 WeakPolarHBondContact CB-OD2 3.39Å; N89-D92 PolarHBondContact N-OD2 3.33Å; N89-D92 PolarHBondContact O-N 3.26Å; N89-I93 PolarHBondContact O-N 3.16Å; N89-Y110 PolarHBondContact OD1-OH 3.43Å | ||
| 90 | N | 92.6 | Very high | 92.5 | Very high | 57 Ų | 57 | 62.3 Ų | 62.3 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.8 | -36 | 175.9 | -65.9 | 62.2 | 0 | 0 | 0 | 113.2 | N94 T107 V108 Y110 | N90-N94 VanDerWaalsContact O-CB 3.31Å; N90-N94 WeakPolarHBondContact O-CB 3.19Å; N90-N94 PolarHBondContact O-N 2.97Å; N90-T107 WeakPolarHBondContact ND2-CA 3.17Å; N90-V108 PolarHBondContact ND2-N 3.1Å; N90-Y110 WeakPolarHBondContact OD1-CE2 3.22Å; N90-Y110 PolarHBondContact OD1-OH 3.42Å |
| 91 | D | 93.6 | Very high | 92.4 | Very high | 107 Ų | 107 | 60.9 Ų | 60.9 | 57% | 0.572 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.5 | -45.6 | -178.1 | -157.2 | -118.3 | 0 | 0 | 0 | 111.3 | N89 I93 N94 E95 | N89-D91 PolarHBondContact O-N 2.95Å; D91-I93 VanDerWaalsContact C-N 3.33Å; D91-I93 PolarHBondContact O-N 3.44Å; D91-N94 WeakPolarHBondContact O-CA 3.44Å; D91-N94 WeakPolarHBondContact O-CB 3.27Å; D91-N94 PolarHBondContact O-N 3.46Å; D91-E95 PolarHBondContact O-N 3.17Å |
| 92 | D | 92.4 | Very high | 92.3 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 176.3 | -52.6 | -53.7 | 0 | 0 | 0 | 111.5 | V88 N89 N94 E95 L96 | V88-D92 HydrophobicContact CG1-CB 4.23Å; N89-D92 WeakPolarHBondContact CB-OD2 3.39Å; N89-D92 PolarHBondContact N-OD2 3.33Å; N89-D92 PolarHBondContact O-N 3.26Å; D92-N94 VanDerWaalsContact C-N 3.35Å; D92-E95 PolarHBondContact O-N 3.45Å; D92-L96 WeakPolarHBondContact O-CB 3.38Å; D92-L96 PolarHBondContact O-N 2.92Å |
| 93 | I | 92.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.9 | -65.3 | -61.1 | 0 | 0 | 0 | 111.1 | L84 V88 N89 D91 F97 A106 V108 A120 V122 | L84-I93 HydrophobicContact CD1-CD1 3.8Å; L84-I93 HydrophobicContact CD1-CG1 4.47Å; L84-I93 HydrophobicContact CD2-CD1 4.12Å; V88-I93 HydrophobicContact CG1-CD1 3.53Å; V88-I93 HydrophobicContact CG1-CG1 3.62Å; N89-I93 PolarHBondContact O-N 3.16Å; D91-I93 VanDerWaalsContact C-N 3.33Å; D91-I93 PolarHBondContact O-N 3.44Å; I93-F97 HydrophobicContact CD1-CE2 4.38Å; I93-F97 HydrophobicContact CG2-CD2 3.92Å; I93-F97 HydrophobicContact CG2-CE2 4.26Å; I93-F97 WeakPolarHBondContact O-CB 3.48Å; I93-F97 VanDerWaalsContact O-CD2 3.27Å; I93-F97 WeakPolarHBondContact O-CD2 2.9Å; I93-F97 PolarHBondContact O-N 3.49Å; I93-F97 VanDerWaalsContact O-N 3.16Å; I93-A106 HydrophobicContact CG2-CB 4.3Å; I93-V108 HydrophobicContact CG1-CG2 3.84Å; I93-A120 HydrophobicContact CD1-CB 4.5Å; I93-A120 HydrophobicContact CG1-CB 4.22Å; I93-A120 HydrophobicContact CG2-CB 4.44Å; I93-V122 HydrophobicContact CG2-CG2 3.3Å |
| 94 | N | 93.8 | Very high | 92.2 | Very high | 57 Ų | 57 | 71 Ų | 71 | 31% | 0.305 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 178.2 | -171.9 | 25.4 | 0 | 0 | 0 | 110.6 | N90 D91 D92 R98 I103 A106 | N90-N94 VanDerWaalsContact O-CB 3.31Å; N90-N94 WeakPolarHBondContact O-CB 3.19Å; N90-N94 PolarHBondContact O-N 2.97Å; D91-N94 WeakPolarHBondContact O-CA 3.44Å; D91-N94 WeakPolarHBondContact O-CB 3.27Å; D91-N94 PolarHBondContact O-N 3.46Å; D92-N94 VanDerWaalsContact C-N 3.35Å; N94-R98 WeakPolarHBondContact O-CB 3.4Å; N94-R98 PolarHBondContact O-N 3.03Å; N94-I103 WeakPolarHBondContact O-CD1 3.4Å; N94-I103 WeakPolarHBondContact OD1-CD1 3.31Å; N94-A106 HydrophobicContact CB-CB 4.07Å |
| 95 | E | 93.7 | Very high | 92.2 | Very high | 148 Ų | 148 | 76.9 Ų | 76.9 | 69% | 0.692 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.2 | -49.4 | 178.9 | -170.9 | 167.2 | 138.7 | 0 | 0 | 111.8 | D91 D92 F97 R98 | D91-E95 PolarHBondContact O-N 3.17Å; D92-E95 PolarHBondContact O-N 3.45Å; E95-F97 VanDerWaalsContact C-N 3.35Å; E95-F97 PolarHBondContact O-N 3.44Å; E95-R98 PolarHBondContact O-N 2.9Å |
| 96 | L | 91.5 | Very high | 92.3 | Very high | 39 Ų | 39 | 75.6 Ų | 75.6 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.8 | -43.2 | -177.8 | -176.1 | 69.3 | 0 | 0 | 0 | 112.9 | D92 Y137 L142 M147 | D92-L96 WeakPolarHBondContact O-CB 3.38Å; D92-L96 PolarHBondContact O-N 2.92Å; L96-Y137 HydrophobicContact CD1-CE1 3.88Å; L96-Y137 HydrophobicContact CD1-CE2 4.15Å; L96-Y137 VanDerWaalsContact CD1-CZ 3.5Å; L96-Y137 WeakPolarHBondContact CD1-OH 3.21Å; L96-Y137 HydrophobicContact CD2-CE2 4.4Å; L96-Y137 HydrophobicContact CG-CE1 4.29Å; L96-Y137 HydrophobicContact CG-CE2 3.76Å; L96-Y137 WeakPolarHBondContact O-CE2 3.42Å; L96-Y137 PolarHBondContact O-OH 2.84Å; L96-L142 HydrophobicContact CD2-CD1 4.48Å; L96-L142 HydrophobicContact CD2-CD2 4.3Å; L96-M147 HydrophobicContact CD2-CE 4.26Å; L96-M147 HydrophobicContact CD2-SD 4.03Å |
| 97 | F | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -85.6 | -18.1 | -176.5 | -79.4 | -89 | 0 | 0 | 0 | 113 | L79 I81 I93 E95 E99 F100 I103 V122 F124 A133 Y137 I149 | L79-F97 HydrophobicContact CD1-CD1 4.24Å; L79-F97 HydrophobicContact CD1-CE1 3.96Å; I81-F97 HydrophobicContact CD1-CE2 4.1Å; I81-F97 HydrophobicContact CD1-CZ 3.97Å; I81-F97 HydrophobicContact CG1-CE1 4.48Å; I81-F97 HydrophobicContact CG1-CE2 4.11Å; I81-F97 HydrophobicContact CG1-CZ 3.69Å; I93-F97 HydrophobicContact CD1-CE2 4.38Å; I93-F97 HydrophobicContact CG2-CD2 3.92Å; I93-F97 HydrophobicContact CG2-CE2 4.26Å; I93-F97 WeakPolarHBondContact O-CB 3.48Å; I93-F97 VanDerWaalsContact O-CD2 3.27Å; I93-F97 WeakPolarHBondContact O-CD2 2.9Å; I93-F97 PolarHBondContact O-N 3.49Å; I93-F97 VanDerWaalsContact O-N 3.16Å; E95-F97 VanDerWaalsContact C-N 3.35Å; E95-F97 PolarHBondContact O-N 3.44Å; F97-E99 PolarHBondContact O-N 3.27Å; F97-F100 PolarHBondContact O-N 2.79Å; F97-I103 HydrophobicContact CB-CD1 3.61Å; F97-I103 HydrophobicContact CB-CG1 4.47Å; F97-V122 HydrophobicContact CB-CG1 4.18Å; F97-V122 HydrophobicContact CD2-CG2 4.16Å; F97-V122 HydrophobicContact CG-CG1 4.4Å; F97-V122 HydrophobicContact CG-CG2 4.27Å; F97-F124 HydrophobicContact CB-CZ 3.86Å; F97-F124 HydrophobicContact CD1-CE2 4.08Å; F97-F124 AromaticContact CD1-CZ 3.88Å; F97-F124 HydrophobicContact CD1-CZ 3.88Å; F97-F124 HydrophobicContact CG-CZ 4.35Å; F97-F124 WeakPolarHBondContact O-CE1 3.43Å; F97-A133 HydrophobicContact CD1-CB 3.78Å; F97-A133 HydrophobicContact CE1-CB 4.02Å; F97-Y137 HydrophobicContact CD1-CD2 4.25Å; F97-Y137 AromaticContact CE1-CD2 3.88Å; F97-Y137 HydrophobicContact CE1-CD2 3.88Å; F97-Y137 HydrophobicContact CZ-CD2 4.09Å; F97-I149 HydrophobicContact CE1-CD1 3.93Å; F97-I149 HydrophobicContact CZ-CD1 3.71Å |
| 98 | R | 93 | Very high | 92.7 | Very high | 177 Ų | 177 | 69.3 Ų | 69.3 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.7 | -22.9 | -177.2 | -175.3 | 172.7 | -177.2 | -156.2 | 0.2 | 112.6 | N94 E95 F100 G101 I103 | N94-R98 WeakPolarHBondContact O-CB 3.4Å; N94-R98 PolarHBondContact O-N 3.03Å; E95-R98 PolarHBondContact O-N 2.9Å; R98-F100 PolarHBondContact O-N 2.82Å; R98-G101 PolarHBondContact O-N 3.05Å; R98-I103 HydrophobicContact CB-CD1 4.06Å |
| 99 | E | 91.8 | Very high | 92.8 | Very high | 162 Ų | 162 | 72.1 Ų | 72.1 | 76% | 0.757 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.3 | 173.4 | -168.4 | 177.9 | 169.1 | 0 | 0 | 112.8 | F97 | F97-E99 PolarHBondContact O-N 3.27Š|
| 100 | F | 90.9 | Very high | 92.9 | Very high | 40 Ų | 40 | 72.6 Ų | 72.6 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -17.7 | -179.5 | -64.6 | -89.4 | 0 | 0 | 0 | 113.7 | F97 R98 F124 S129 K132 A133 H136 Y137 | F97-F100 PolarHBondContact O-N 2.79Å; R98-F100 PolarHBondContact O-N 2.82Å; F100-F124 HydrophobicContact CB-CE1 4.23Å; F100-F124 HydrophobicContact CB-CZ 4.41Å; F100-S129 WeakPolarHBondContact O-CB 3.35Å; F100-S129 PolarHBondContact O-OG 2.74Å; F100-K132 HydrophobicContact CD1-CB 4.02Å; F100-A133 HydrophobicContact CB-CB 3.92Å; F100-A133 HydrophobicContact CD1-CB 4Å; F100-A133 HydrophobicContact CD2-CB 3.89Å; F100-A133 HydrophobicContact CG-CB 3.6Å; F100-H136 HydrophobicContact CE1-CB 3.5Å; F100-H136 AromaticContact CE1-CG 3.8Å; F100-H136 HydrophobicContact CZ-CB 3.65Å; F100-H136 AromaticContact CZ-CD2 3.53Å; F100-H136 AromaticContact CZ-CG 3.66Å; F100-Y137 HydrophobicContact CD2-CD2 4.38Å; F100-Y137 AromaticContact CD2-CE2 3.76Å; F100-Y137 HydrophobicContact CD2-CE2 3.76Å; F100-Y137 AromaticContact CE2-CD2 3.7Å; F100-Y137 HydrophobicContact CE2-CD2 3.7Å; F100-Y137 HydrophobicContact CE2-CE1 4.41Å; F100-Y137 AromaticContact CE2-CE2 2.99Å; F100-Y137 HydrophobicContact CE2-CE2 2.99Å; F100-Y137 AromaticContact CE2-CZ 3.4Å; F100-Y137 VanDerWaalsContact CE2-CZ 3.4Å; F100-Y137 HydrophobicContact CZ-CD2 4.08Å; F100-Y137 AromaticContact CZ-CE2 3.68Å; F100-Y137 HydrophobicContact CZ-CE2 3.68Å; F100-Y137 AromaticContact CZ-CZ 3.9Å |
| 101 | G | 90.7 | Very high | 92.9 | Very high | 23 Ų | 23 | 73 Ų | 73 | 24% | 0.237 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 153.3 | -177.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R98 I103 | R98-G101 PolarHBondContact O-N 3.05Å; G101-I103 PolarHBondContact O-N 3.01Å |
| 102 | A | 93.3 | Very high | 92.8 | Very high | 63 Ų | 63 | 79.5 Ų | 79.5 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | trans | -64.8 | 123 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V125 | A102-V125 HydrophobicContact CB-CB 4.19Å; A102-V125 HydrophobicContact CB-CG2 3.78Å; A102-V125 WeakPolarHBondContact O-CG2 3.46Å; A102-V125 PolarHBondContact O-N 3.34Å | ||
| 103 | I | 93.2 | Very high | 92.6 | Very high | 31 Ų | 31 | 80.1 Ų | 80.1 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 130.9 | 173.3 | -62.9 | 169.9 | 0 | 0 | 0 | 108.6 | N94 F97 R98 G101 K105 A106 V122 F124 | N94-I103 WeakPolarHBondContact O-CD1 3.4Å; N94-I103 WeakPolarHBondContact OD1-CD1 3.31Å; F97-I103 HydrophobicContact CB-CD1 3.61Å; F97-I103 HydrophobicContact CB-CG1 4.47Å; R98-I103 HydrophobicContact CB-CD1 4.06Å; G101-I103 PolarHBondContact O-N 3.01Å; I103-K105 WeakPolarHBondContact CG2-O 3.49Å; I103-A106 HydrophobicContact CG2-CB 4.26Å; I103-V122 HydrophobicContact CD1-CG1 4.16Å; I103-V122 HydrophobicContact CG1-CG1 4.09Å; I103-V122 HydrophobicContact CG2-CG1 3.96Å; I103-F124 HydrophobicContact CG1-CD1 4.19Å; I103-F124 HydrophobicContact CG1-CE1 3.88Å; I103-F124 HydrophobicContact CG1-CZ 4.34Å |
| 104 | R | 92.8 | Very high | 92.4 | Very high | 203 Ų | 203 | 82.6 Ų | 82.6 | 77% | 0.766 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -38.5 | 172.3 | -174 | 179.5 | 178.2 | -150.1 | -0.3 | 111.9 | V123 V125 | R104-V123 WeakPolarHBondContact CA-O 3.37Å; R104-V123 HydrophobicContact CB-CB 4.36Å; R104-V123 HydrophobicContact CB-CG1 4.11Å; R104-V123 WeakPolarHBondContact CB-O 3.41Å; R104-V123 PolarHBondContact N-O 2.77Å; R104-V125 HydrophobicContact CB-CG2 4.28Å |
| 105 | K | 92.4 | Very high | 92.2 | Very high | 125 Ų | 125 | 87.6 Ų | 87.6 | 54% | 0.543 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 136.5 | 178.8 | -170.7 | 177.4 | -178.8 | -175.2 | 0 | 110.6 | I103 T107 V122 V123 | I103-K105 WeakPolarHBondContact CG2-O 3.49Å; K105-T107 VanDerWaalsContact CE-OG1 3.25Å; K105-T107 WeakPolarHBondContact CE-OG1 3.49Å; K105-V122 CarbonylContact O-C 3.6Å; K105-V122 WeakPolarHBondContact O-CA 3.43Å; K105-V123 HydrophobicContact CB-CB 4.25Å; K105-V123 HydrophobicContact CB-CG2 4.38Å; K105-V123 PolarHBondContact N-O 3.18Å; K105-V123 PolarHBondContact O-N 3.41Å |
| 106 | A | 94.1 | Very high | 92 | Very high | 20 Ų | 20 | 80.9 Ų | 80.9 | 17% | 0.165 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I93 N94 I103 E121 V122 | I93-A106 HydrophobicContact CG2-CB 4.3Å; N94-A106 HydrophobicContact CB-CB 4.07Å; I103-A106 HydrophobicContact CG2-CB 4.26Å; A106-E121 CarbonylContact C-O 3.6Å; A106-E121 WeakPolarHBondContact CA-O 3.33Å; A106-V122 HydrophobicContact CB-CG2 4.35Å |
| 107 | T | 93.3 | Very high | 92 | Very high | 40 Ų | 40 | 83.6 Ų | 83.6 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 118 | -178.3 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | N90 K105 A120 E121 | N90-T107 WeakPolarHBondContact ND2-CA 3.17Å; K105-T107 VanDerWaalsContact CE-OG1 3.25Å; K105-T107 WeakPolarHBondContact CE-OG1 3.49Å; T107-A120 CarbonylContact O-C 3.58Å; T107-A120 VanDerWaalsContact O-CA 3.27Å; T107-A120 WeakPolarHBondContact O-CA 3.43Å; T107-E121 PolarHBondContact N-O 3.04Å; T107-E121 PolarHBondContact O-N 3.41Å |
| 108 | V | 94.7 | Very high | 92 | Very high | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.03 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 139.9 | 168.2 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | N90 I93 Y110 A120 | N90-V108 PolarHBondContact ND2-N 3.1Å; I93-V108 HydrophobicContact CG1-CG2 3.84Å; V108-Y110 HydrophobicContact CB-CD2 4.49Å; V108-Y110 HydrophobicContact CB-CE2 3.71Å; V108-Y110 HydrophobicContact CG1-CD2 4.37Å; V108-Y110 HydrophobicContact CG1-CE1 4.26Å; V108-Y110 HydrophobicContact CG1-CE2 3.81Å; V108-Y110 WeakPolarHBondContact O-CD2 3.43Å; V108-A120 HydrophobicContact CG2-CB 3.97Å |
| 109 | H | 94.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 76.7 Ų | 76.7 | 29% | 0.292 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.1 | 176.2 | -56.4 | 147.5 | 0 | 0 | 0 | 110.3 | L117 T119 | H109-L117 HydrophobicContact CB-CB 4.35Å; H109-L117 HydrophobicContact CB-CD1 3.94Å; H109-L117 WeakPolarHBondContact O-CB 3.42Å; H109-L117 PolarHBondContact O-N 3.11Å; H109-T119 PolarHBondContact N-O 2.87Å; H109-T119 PolarHBondContact ND1-OG1 2.99Å |
| 110 | Y | 93 | Very high | 92.2 | Very high | 85 Ų | 85 | 69 Ų | 69 | 33% | 0.333 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146.6 | 177.5 | -61.5 | -91.4 | 0 | 0 | 0 | 110.5 | N89 N90 V108 R115 | N89-Y110 PolarHBondContact OD1-OH 3.43Å; N90-Y110 WeakPolarHBondContact OD1-CE2 3.22Å; N90-Y110 PolarHBondContact OD1-OH 3.42Å; V108-Y110 HydrophobicContact CB-CD2 4.49Å; V108-Y110 HydrophobicContact CB-CE2 3.71Å; V108-Y110 HydrophobicContact CG1-CD2 4.37Å; V108-Y110 HydrophobicContact CG1-CE1 4.26Å; V108-Y110 HydrophobicContact CG1-CE2 3.81Å; V108-Y110 WeakPolarHBondContact O-CD2 3.43Å; Y110-R115 CarbonylContact C-O 3.55Å; Y110-R115 WeakPolarHBondContact CA-O 3.45Å |
| 111 | D | 92.2 | Very high | 92.4 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.342 | 35% | 0.35 | S | S | . | . | trans | -70.5 | 166.4 | 170.7 | -172.1 | 17.6 | 0 | 0 | 0 | 110.7 | S113 G114 R115 L117 | D111-S113 PolarHBondContact O-N 3.08Å; D111-S113 VanDerWaalsContact O-N 3.1Å; D111-G114 PolarHBondContact O-N 3.07Å; D111-R115 PolarHBondContact N-O 2.7Å; D111-R115 IonicContact OD2-NH2 3.63Å; D111-R115 PolarHBondContact OD2-NH2 3.07Å; D111-L117 HydrophobicContact CB-CD2 3.89Å; D111-L117 HydrophobicContact CB-CG 4.44Å | ||
| 112 | R | 91.5 | Very high | 92.5 | Very high | 245 Ų | 245 | 68.3 Ų | 68.3 | 93% | 0.925 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.5 | 177.3 | -173.3 | 178.1 | -66.8 | -167.9 | -0.1 | 112.8 | G114 | R112-G114 VanDerWaalsContact C-N 3.26Å; R112-G114 PolarHBondContact O-N 2.79Å |
| 113 | S | 89.9 | Confident | 92.5 | Very high | 91 Ų | 91 | 65.8 Ų | 65.8 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.5 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 114.3 | D111 R115 | D111-S113 PolarHBondContact O-N 3.08Å; D111-S113 VanDerWaalsContact O-N 3.1Å; S113-R115 VanDerWaalsContact C-N 3.31Å; S113-R115 PolarHBondContact O-N 3.19Å |
| 114 | G | 87.6 | Confident | 92.5 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 78.8 | 9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D111 R112 | D111-G114 PolarHBondContact O-N 3.07Å; R112-G114 VanDerWaalsContact C-N 3.26Å; R112-G114 PolarHBondContact O-N 2.79Å |
| 115 | R | 88.7 | Confident | 92.4 | Very high | 161 Ų | 161 | 58.7 Ų | 58.7 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | trans | -83.2 | 136.7 | 175.4 | -63.7 | -178.1 | -62.8 | 176.4 | 1.8 | 109.7 | Y110 D111 S113 L117 | Y110-R115 CarbonylContact C-O 3.55Å; Y110-R115 WeakPolarHBondContact CA-O 3.45Å; D111-R115 PolarHBondContact N-O 2.7Å; D111-R115 IonicContact OD2-NH2 3.63Å; D111-R115 PolarHBondContact OD2-NH2 3.07Å; S113-R115 VanDerWaalsContact C-N 3.31Å; S113-R115 PolarHBondContact O-N 3.19Å; R115-L117 PolarHBondContact O-N 2.89Å | ||
| 116 | S | 90.2 | Very high | 92.3 | Very high | 8 Ų | 8 | 57 Ų | 57 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 138.5 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 110 | F86 G118 | F86-S116 WeakPolarHBondContact CD1-O 3.33Å; F86-S116 WeakPolarHBondContact O-CB 3.44Å; S116-G118 PolarHBondContact O-N 2.85Å; S116-G118 PolarHBondContact OG-N 3.25Å |
| 117 | L | 92.6 | Very high | 92.1 | Very high | 95 Ų | 95 | 58 Ų | 58 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -2.5 | 172.4 | -68.3 | 174.8 | 0 | 0 | 0 | 111.8 | H109 D111 R115 T119 | H109-L117 HydrophobicContact CB-CB 4.35Å; H109-L117 HydrophobicContact CB-CD1 3.94Å; H109-L117 WeakPolarHBondContact O-CB 3.42Å; H109-L117 PolarHBondContact O-N 3.11Å; D111-L117 HydrophobicContact CB-CD2 3.89Å; D111-L117 HydrophobicContact CB-CG 4.44Å; R115-L117 PolarHBondContact O-N 2.89Å; L117-T119 PolarHBondContact O-N 3.44Å |
| 118 | G | 91.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.6 | 23.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N83 L84 S116 | N83-G118 PolarHBondContact N-O 3.37Å; N83-G118 VanDerWaalsContact N-O 3.14Å; L84-G118 PolarHBondContact N-O 3.43Å; L84-G118 WeakPolarHBondContact O-CA 3.11Å; S116-G118 PolarHBondContact O-N 2.85Å; S116-G118 PolarHBondContact OG-N 3.25Å |
| 119 | T | 94.5 | Very high | 91.8 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.5 | 176.1 | 62.2 | 0 | 0 | 0 | 0 | 111 | I81 H109 L117 | I81-T119 CarbonylContact O-C 3.53Å; I81-T119 WeakPolarHBondContact O-CA 3.39Å; H109-T119 PolarHBondContact N-O 2.87Å; H109-T119 PolarHBondContact ND1-OG1 2.99Å; L117-T119 PolarHBondContact O-N 3.44Å |
| 120 | A | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 156.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H80 I81 L84 I93 T107 V108 | H80-A120 PolarHBondContact CD2-O 3.08Å; I81-A120 HydrophobicContact CB-CB 4.45Å; I81-A120 HydrophobicContact CD1-CB 4.31Å; I81-A120 PolarHBondContact N-O 3.47Å; I81-A120 PolarHBondContact O-N 2.78Å; L84-A120 HydrophobicContact CD1-CB 3.62Å; I93-A120 HydrophobicContact CD1-CB 4.5Å; I93-A120 HydrophobicContact CG1-CB 4.22Å; I93-A120 HydrophobicContact CG2-CB 4.44Å; T107-A120 CarbonylContact O-C 3.58Å; T107-A120 VanDerWaalsContact O-CA 3.27Å; T107-A120 WeakPolarHBondContact O-CA 3.43Å; V108-A120 HydrophobicContact CG2-CB 3.97Å |
| 121 | E | 93.9 | Very high | 91.5 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 23% | 0.229 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132 | 173.1 | -167.6 | -165.4 | 135.4 | 0 | 0 | 110 | R78 L79 A106 T107 V123 | R78-E121 WeakPolarHBondContact CD-OE1 3.49Å; R78-E121 HydrophobicContact CG-CG 3.65Å; R78-E121 WeakPolarHBondContact CG-OE1 3.38Å; R78-E121 IonicContact CZ-OE1 2.62Å; R78-E121 IonicContact NE-OE1 3.36Å; R78-E121 PolarHBondContact NE-OE1 3.27Å; R78-E121 IonicContact NH2-OE1 3.38Å; L79-E121 CarbonylContact O-C 3.49Å; L79-E121 WeakPolarHBondContact O-CA 3.37Å; A106-E121 CarbonylContact C-O 3.6Å; A106-E121 WeakPolarHBondContact CA-O 3.33Å; T107-E121 PolarHBondContact N-O 3.04Å; T107-E121 PolarHBondContact O-N 3.41Å; E121-V123 WeakPolarHBondContact OE1-CG2 3.41Å |
| 122 | V | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.7 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | R78 L79 I81 I93 F97 I103 K105 A106 F124 | R78-V122 CarbonylContact C-O 3.56Å; R78-V122 WeakPolarHBondContact CA-O 3.41Å; L79-V122 HydrophobicContact CB-CB 4.47Å; L79-V122 PolarHBondContact N-O 3.02Å; L79-V122 PolarHBondContact O-N 3.47Å; I81-V122 HydrophobicContact CD1-CB 4.13Å; I81-V122 HydrophobicContact CD1-CG2 3.56Å; I93-V122 HydrophobicContact CG2-CG2 3.3Å; F97-V122 HydrophobicContact CB-CG1 4.18Å; F97-V122 HydrophobicContact CD2-CG2 4.16Å; F97-V122 HydrophobicContact CG-CG1 4.4Å; F97-V122 HydrophobicContact CG-CG2 4.27Å; I103-V122 HydrophobicContact CD1-CG1 4.16Å; I103-V122 HydrophobicContact CG1-CG1 4.09Å; I103-V122 HydrophobicContact CG2-CG1 3.96Å; K105-V122 CarbonylContact O-C 3.6Å; K105-V122 WeakPolarHBondContact O-CA 3.43Å; A106-V122 HydrophobicContact CB-CG2 4.35Å; V122-F124 HydrophobicContact CB-CE2 4.45Å; V122-F124 HydrophobicContact CG1-CD2 3.99Å; V122-F124 HydrophobicContact CG1-CE2 3.61Å; V122-F124 HydrophobicContact CG1-CZ 4.1Å |
| 123 | V | 93 | Very high | 91.5 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 116.4 | 174.4 | -175 | 0 | 0 | 0 | 0 | 108.2 | T77 R78 R104 K105 E121 | T77-V123 CarbonylContact O-C 3.51Å; T77-V123 WeakPolarHBondContact O-CA 3.49Å; R78-V123 HydrophobicContact CB-CG2 4.31Å; R78-V123 HydrophobicContact CG-CG2 4.17Å; R104-V123 WeakPolarHBondContact CA-O 3.37Å; R104-V123 HydrophobicContact CB-CB 4.36Å; R104-V123 HydrophobicContact CB-CG1 4.11Å; R104-V123 WeakPolarHBondContact CB-O 3.41Å; R104-V123 PolarHBondContact N-O 2.77Å; K105-V123 HydrophobicContact CB-CB 4.25Å; K105-V123 HydrophobicContact CB-CG2 4.38Å; K105-V123 PolarHBondContact N-O 3.18Å; K105-V123 PolarHBondContact O-N 3.41Å; E121-V123 WeakPolarHBondContact OE1-CG2 3.41Å |
| 124 | F | 93 | Very high | 91.6 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 157.6 | 172.2 | -76.4 | -87.6 | 0 | 0 | 0 | 111.8 | T77 L79 F97 F100 I103 V122 N126 A130 A133 | T77-F124 WeakPolarHBondContact CB-O 3.42Å; T77-F124 PolarHBondContact O-N 3.36Å; L79-F124 HydrophobicContact CD1-CD2 4.19Å; L79-F124 HydrophobicContact CD1-CE2 3.58Å; L79-F124 HydrophobicContact CG-CD2 4.32Å; L79-F124 HydrophobicContact CG-CE2 4.16Å; F97-F124 HydrophobicContact CB-CZ 3.86Å; F97-F124 HydrophobicContact CD1-CE2 4.08Å; F97-F124 AromaticContact CD1-CZ 3.88Å; F97-F124 HydrophobicContact CD1-CZ 3.88Å; F97-F124 HydrophobicContact CG-CZ 4.35Å; F97-F124 WeakPolarHBondContact O-CE1 3.43Å; F100-F124 HydrophobicContact CB-CE1 4.23Å; F100-F124 HydrophobicContact CB-CZ 4.41Å; I103-F124 HydrophobicContact CG1-CD1 4.19Å; I103-F124 HydrophobicContact CG1-CE1 3.88Å; I103-F124 HydrophobicContact CG1-CZ 4.34Å; V122-F124 HydrophobicContact CB-CE2 4.45Å; V122-F124 HydrophobicContact CG1-CD2 3.99Å; V122-F124 HydrophobicContact CG1-CE2 3.61Å; V122-F124 HydrophobicContact CG1-CZ 4.1Å; F124-N126 WeakPolarHBondContact CB-O 3.33Å; F124-A130 HydrophobicContact CB-CB 4.21Å; F124-A130 HydrophobicContact CD2-CB 3.7Å; F124-A130 HydrophobicContact CE2-CB 4.45Å; F124-A130 HydrophobicContact CG-CB 4.18Å; F124-A133 HydrophobicContact CE2-CB 4.09Å; F124-A133 HydrophobicContact CZ-CB 3.83Å |
| 125 | V | 91.5 | Very high | 91.8 | Very high | 84 Ų | 84 | 51.3 Ų | 51.3 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -70.9 | -39.7 | 166.8 | -179.2 | 0 | 0 | 0 | 0 | 110 | A102 R104 | A102-V125 HydrophobicContact CB-CB 4.19Å; A102-V125 HydrophobicContact CB-CG2 3.78Å; A102-V125 WeakPolarHBondContact O-CG2 3.46Å; A102-V125 PolarHBondContact O-N 3.34Å; R104-V125 HydrophobicContact CB-CG2 4.28Å |
| 126 | N | 89.6 | Confident | 92 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 48% | 0.476 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -109.8 | 132.2 | -175.9 | -68.1 | 3.8 | 0 | 0 | 0 | 111.7 | F124 L128 S129 A130 | F124-N126 WeakPolarHBondContact CB-O 3.33Å; N126-L128 PolarHBondContact O-N 2.83Å; N126-S129 PolarHBondContact O-N 3.27Å; N126-A130 PolarHBondContact O-N 2.87Å |
| 127 | P | 89.5 | Confident | 92.1 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 28% | 0.279 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -27.3 | 177.5 | 26.2 | -33.9 | 0 | 0 | 0 | 112.6 | T77 A130 T131 | T77-P127 HydrophobicContact CG2-CB 4.01Å; T77-P127 HydrophobicContact CG2-CG 4.47Å; P127-A130 PolarHBondContact O-N 2.85Å; P127-T131 PolarHBondContact O-N 2.72Å; P127-T131 VanDerWaalsContact O-N 3.07Å; P127-T131 PolarHBondContact O-OG1 2.77Å; P127-T131 VanDerWaalsContact O-OG1 3.08Å |
| 128 | L | 90.5 | Very high | 92 | Very high | 132 Ų | 132 | 49 Ų | 49 | 69% | 0.691 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 174.3 | -65.8 | 175.2 | 0 | 0 | 0 | 111.9 | N126 T131 K132 | N126-L128 PolarHBondContact O-N 2.83Å; L128-T131 PolarHBondContact O-N 3.24Å; L128-K132 WeakPolarHBondContact O-CG 3.47Å; L128-K132 PolarHBondContact O-N 3.21Å |
| 129 | S | 91.7 | Very high | 92 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 176.8 | -66.7 | 0 | 0 | 0 | 0 | 111.2 | F100 N126 T131 K132 A133 | F100-S129 WeakPolarHBondContact O-CB 3.35Å; F100-S129 PolarHBondContact O-OG 2.74Å; N126-S129 PolarHBondContact O-N 3.27Å; S129-T131 VanDerWaalsContact C-N 3.35Å; S129-T131 PolarHBondContact O-N 2.83Å; S129-K132 PolarHBondContact O-N 2.77Å; S129-A133 WeakPolarHBondContact O-CB 3.41Å; S129-A133 PolarHBondContact O-N 2.86Å |
| 130 | A | 91.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L79 F124 N126 P127 K132 A133 K134 L151 | L79-A130 HydrophobicContact CD1-CB 4.47Å; L79-A130 WeakPolarHBondContact CD1-O 3.48Å; L79-A130 HydrophobicContact CD2-CB 3.99Å; L79-A130 HydrophobicContact CG-CB 4.08Å; F124-A130 HydrophobicContact CB-CB 4.21Å; F124-A130 HydrophobicContact CD2-CB 3.7Å; F124-A130 HydrophobicContact CE2-CB 4.45Å; F124-A130 HydrophobicContact CG-CB 4.18Å; N126-A130 PolarHBondContact O-N 2.87Å; P127-A130 PolarHBondContact O-N 2.85Å; A130-K132 PolarHBondContact O-N 3.28Å; A130-A133 PolarHBondContact O-N 3.35Å; A130-K134 WeakPolarHBondContact O-CB 3.44Å; A130-K134 PolarHBondContact O-N 3.28Å; A130-L151 HydrophobicContact CB-CD1 4.33Å |
| 131 | T | 90.2 | Very high | 91.7 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | P127 L128 S129 N135 | P127-T131 PolarHBondContact O-N 2.72Å; P127-T131 VanDerWaalsContact O-N 3.07Å; P127-T131 PolarHBondContact O-OG1 2.77Å; P127-T131 VanDerWaalsContact O-OG1 3.08Å; L128-T131 PolarHBondContact O-N 3.24Å; S129-T131 VanDerWaalsContact C-N 3.35Å; S129-T131 PolarHBondContact O-N 2.83Å; T131-N135 PolarHBondContact O-N 2.94Å; T131-N135 VanDerWaalsContact O-N 3.1Å; T131-N135 PolarHBondContact O-ND2 3.18Å |
| 132 | K | 91.7 | Very high | 91.4 | Very high | 136 Ų | 136 | 56.2 Ų | 56.2 | 59% | 0.591 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.1 | -49.4 | 176.1 | -74.4 | 180 | 179.2 | -174.7 | 0 | 111.5 | F100 L128 S129 A130 K134 N135 H136 | F100-K132 HydrophobicContact CD1-CB 4.02Å; L128-K132 WeakPolarHBondContact O-CG 3.47Å; L128-K132 PolarHBondContact O-N 3.21Å; S129-K132 PolarHBondContact O-N 2.77Å; A130-K132 PolarHBondContact O-N 3.28Å; K132-K134 VanDerWaalsContact C-N 3.35Å; K132-K134 PolarHBondContact O-N 3.01Å; K132-N135 PolarHBondContact O-N 3.14Å; K132-H136 WeakPolarHBondContact O-CB 3.34Å; K132-H136 PolarHBondContact O-N 3.18Å |
| 133 | A | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L79 F97 F100 F124 S129 A130 N135 H136 Y137 | L79-A133 HydrophobicContact CD1-CB 3.92Å; F97-A133 HydrophobicContact CD1-CB 3.78Å; F97-A133 HydrophobicContact CE1-CB 4.02Å; F100-A133 HydrophobicContact CB-CB 3.92Å; F100-A133 HydrophobicContact CD1-CB 4Å; F100-A133 HydrophobicContact CD2-CB 3.89Å; F100-A133 HydrophobicContact CG-CB 3.6Å; F124-A133 HydrophobicContact CE2-CB 4.09Å; F124-A133 HydrophobicContact CZ-CB 3.83Å; S129-A133 WeakPolarHBondContact O-CB 3.41Å; S129-A133 PolarHBondContact O-N 2.86Å; A130-A133 PolarHBondContact O-N 3.35Å; A133-N135 PolarHBondContact O-N 3.05Å; A133-H136 PolarHBondContact O-N 2.86Å; A133-Y137 PolarHBondContact O-N 2.8Å |
| 134 | K | 91.9 | Very high | 91 | Very high | 59 Ų | 59 | 64.5 Ų | 64.5 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.2 | -52.4 | 172.7 | 175.2 | -177.4 | 173.5 | -64.8 | 0 | 111.4 | L79 A130 K132 H136 N138 I149 L151 | L79-K134 HydrophobicContact CD2-CB 4.15Å; A130-K134 WeakPolarHBondContact O-CB 3.44Å; A130-K134 PolarHBondContact O-N 3.28Å; K132-K134 VanDerWaalsContact C-N 3.35Å; K132-K134 PolarHBondContact O-N 3.01Å; K134-H136 VanDerWaalsContact C-N 3.26Å; K134-H136 PolarHBondContact O-N 2.9Å; K134-N138 WeakPolarHBondContact O-CB 3.47Å; K134-N138 PolarHBondContact O-N 2.84Å; K134-I149 HydrophobicContact CB-CG2 3.9Å; K134-I149 WeakPolarHBondContact CE-O 3.34Å; K134-I149 HydrophobicContact CG-CB 4.25Å; K134-I149 HydrophobicContact CG-CG2 3.99Å; K134-L151 HydrophobicContact CD-CB 4.16Å |
| 135 | N | 91.3 | Very high | 90.9 | Very high | 112 Ų | 112 | 67.8 Ų | 67.8 | 60% | 0.599 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68 | -28.4 | -174.4 | -69.9 | -17 | 0 | 0 | 0 | 112.9 | T131 K132 A133 | T131-N135 PolarHBondContact O-N 2.94Å; T131-N135 VanDerWaalsContact O-N 3.1Å; T131-N135 PolarHBondContact O-ND2 3.18Å; K132-N135 PolarHBondContact O-N 3.14Å; A133-N135 PolarHBondContact O-N 3.05Å |
| 136 | H | 91.8 | Very high | 91 | Very high | 123 Ų | 123 | 67 Ų | 67 | 57% | 0.569 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -80.5 | -46.3 | -179.8 | -164.1 | 81.9 | 0 | 0 | 0 | 112.4 | F100 K132 A133 K134 V140 | F100-H136 HydrophobicContact CE1-CB 3.5Å; F100-H136 AromaticContact CE1-CG 3.8Å; F100-H136 HydrophobicContact CZ-CB 3.65Å; F100-H136 AromaticContact CZ-CD2 3.53Å; F100-H136 AromaticContact CZ-CG 3.66Å; K132-H136 WeakPolarHBondContact O-CB 3.34Å; K132-H136 PolarHBondContact O-N 3.18Å; A133-H136 PolarHBondContact O-N 2.86Å; K134-H136 VanDerWaalsContact C-N 3.26Å; K134-H136 PolarHBondContact O-N 2.9Å; H136-V140 WeakPolarHBondContact O-CG2 3.36Å |
| 137 | Y | 92.3 | Very high | 91.2 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -94.6 | -14.9 | -173.7 | -73.3 | -46.9 | 0 | 0 | 0 | 114.8 | L96 F97 F100 A133 G139 V140 M147 I149 | L96-Y137 HydrophobicContact CD1-CE1 3.88Å; L96-Y137 HydrophobicContact CD1-CE2 4.15Å; L96-Y137 VanDerWaalsContact CD1-CZ 3.5Å; L96-Y137 WeakPolarHBondContact CD1-OH 3.21Å; L96-Y137 HydrophobicContact CD2-CE2 4.4Å; L96-Y137 HydrophobicContact CG-CE1 4.29Å; L96-Y137 HydrophobicContact CG-CE2 3.76Å; L96-Y137 WeakPolarHBondContact O-CE2 3.42Å; L96-Y137 PolarHBondContact O-OH 2.84Å; F97-Y137 HydrophobicContact CD1-CD2 4.25Å; F97-Y137 AromaticContact CE1-CD2 3.88Å; F97-Y137 HydrophobicContact CE1-CD2 3.88Å; F97-Y137 HydrophobicContact CZ-CD2 4.09Å; F100-Y137 HydrophobicContact CD2-CD2 4.38Å; F100-Y137 AromaticContact CD2-CE2 3.76Å; F100-Y137 HydrophobicContact CD2-CE2 3.76Å; F100-Y137 AromaticContact CE2-CD2 3.7Å; F100-Y137 HydrophobicContact CE2-CD2 3.7Å; F100-Y137 HydrophobicContact CE2-CE1 4.41Å; F100-Y137 AromaticContact CE2-CE2 2.99Å; F100-Y137 HydrophobicContact CE2-CE2 2.99Å; F100-Y137 AromaticContact CE2-CZ 3.4Å; F100-Y137 VanDerWaalsContact CE2-CZ 3.4Å; F100-Y137 HydrophobicContact CZ-CD2 4.08Å; F100-Y137 AromaticContact CZ-CE2 3.68Å; F100-Y137 HydrophobicContact CZ-CE2 3.68Å; F100-Y137 AromaticContact CZ-CZ 3.9Å; A133-Y137 PolarHBondContact O-N 2.8Å; Y137-G139 PolarHBondContact O-N 2.78Å; Y137-G139 VanDerWaalsContact O-N 3.08Å; Y137-V140 WeakPolarHBondContact O-CB 3.4Å; Y137-V140 PolarHBondContact O-N 2.62Å; Y137-M147 HydrophobicContact CD1-CE 3.81Å; Y137-M147 HydrophobicContact CG-CE 4Å; Y137-I149 HydrophobicContact CG-CD1 4.46Å |
| 138 | N | 92 | Very high | 91.4 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 114.9 | 178.3 | 179.8 | 78.5 | 0 | 0 | 0 | 110.7 | K134 I149 | K134-N138 WeakPolarHBondContact O-CB 3.47Å; K134-N138 PolarHBondContact O-N 2.84Å; N138-I149 HydrophobicContact CB-CB 4.22Å; N138-I149 PolarHBondContact OD1-N 2.83Å; N138-I149 PolarHBondContact OD1-O 3.32Å |
| 139 | G | 91.7 | Very high | 91.6 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y137 M147 | Y137-G139 PolarHBondContact O-N 2.78Å; Y137-G139 VanDerWaalsContact O-N 3.08Å; G139-M147 PolarHBondContact N-O 3.41Å |
| 140 | V | 91.4 | Very high | 91.6 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | trans | -77.7 | 130 | 177.7 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | H136 Y137 L142 M147 | H136-V140 WeakPolarHBondContact O-CG2 3.36Å; Y137-V140 WeakPolarHBondContact O-CB 3.4Å; Y137-V140 PolarHBondContact O-N 2.62Å; V140-L142 PolarHBondContact O-N 3.46Å; V140-M147 HydrophobicContact CB-CE 4.04Å; V140-M147 HydrophobicContact CG1-CE 4.25Å; V140-M147 PolarHBondContact O-N 2.78Å | ||
| 141 | P | 90.4 | Very high | 91.5 | Very high | 89 Ų | 89 | 63.5 Ų | 63.5 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 125.8 | 175.3 | 28.3 | -32.9 | 0 | 0 | 0 | 111.3 | R145 | P141-R145 CarbonylContact C-O 3.59Å; P141-R145 WeakPolarHBondContact CA-O 3.27Å |
| 142 | L | 88.2 | Confident | 91.5 | Very high | 40 Ų | 40 | 63.5 Ų | 63.5 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.3 | 167.3 | -173.6 | 70.8 | 0 | 0 | 0 | 107.3 | L84 V88 L96 V140 G144 R145 M147 | L84-L142 HydrophobicContact CD2-CD2 3.95Å; V88-L142 HydrophobicContact CG2-CD2 3.91Å; L96-L142 HydrophobicContact CD2-CD1 4.48Å; L96-L142 HydrophobicContact CD2-CD2 4.3Å; V140-L142 PolarHBondContact O-N 3.46Å; L142-G144 PolarHBondContact O-N 2.82Å; L142-G144 VanDerWaalsContact O-N 3.11Å; L142-R145 PolarHBondContact N-O 3.16Å; L142-R145 PolarHBondContact O-N 3.24Å; L142-M147 HydrophobicContact CB-CE 4.1Å; L142-M147 HydrophobicContact CB-CG 3.75Å; L142-M147 HydrophobicContact CB-SD 3.82Å; L142-M147 HydrophobicContact CD2-CG 4.43Å; L142-M147 HydrophobicContact CD2-SD 3.81Å; L142-M147 HydrophobicContact CG-SD 4.37Å |
| 143 | D | 88 | Confident | 90.7 | Very high | 114 Ų | 114 | 59 Ų | 59 | 61% | 0.61 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 33.8 | -175.1 | -59.3 | -52.6 | 0 | 0 | 0 | 114.2 | D85 R145 | D85-D143 HydrophobicContact CB-CB 3.81Å; D143-R145 VanDerWaalsContact C-N 3.33Å |
| 144 | G | 90 | Very high | 89.2 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 71% | 0.711 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 0.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | L142 | L142-G144 PolarHBondContact O-N 2.82Å; L142-G144 VanDerWaalsContact O-N 3.11Å |
| 145 | R | 91.3 | Very high | 86.9 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 27% | 0.268 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.9 | 178 | -60.4 | -175.7 | 69.7 | 173.8 | -1.1 | 111.3 | N83 L84 P141 L142 D143 M147 | N83-R145 WeakPolarHBondContact O-CB 3.37Å; N83-R145 PolarHBondContact OD1-NE 3.5Å; N83-R145 PolarHBondContact OD1-NH2 2.83Å; L84-R145 PolarHBondContact O-NH1 3.48Å; L84-R145 VanDerWaalsContact O-NH1 3.16Å; P141-R145 CarbonylContact C-O 3.59Å; P141-R145 WeakPolarHBondContact CA-O 3.27Å; L142-R145 PolarHBondContact N-O 3.16Å; L142-R145 PolarHBondContact O-N 3.24Å; D143-R145 VanDerWaalsContact C-N 3.33Å; R145-M147 PolarHBondContact O-N 3.28Å |
| 146 | P | 93.2 | Very high | 86.7 | Confident | 66 Ų | 66 | 64.3 Ų | 64.3 | 43% | 0.429 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 119.8 | 179.8 | 26.2 | -33.2 | 0 | 0 | 0 | 111.1 | N83 | N83-P146 WeakPolarHBondContact ND2-CD 3.25Å; N83-P146 PolarHBondContact ND2-O 3.48Å |
| 147 | M | 94.5 | Very high | 86.4 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 42% | 0.421 | C | S | . | . | trans | -67.3 | 134.5 | 178.4 | -65.2 | -174.4 | -77.2 | 0 | 0 | 110.9 | I81 L84 L96 Y137 G139 V140 L142 R145 | I81-M147 HydrophobicContact CG2-CB 4.5Å; L84-M147 HydrophobicContact CD2-CG 3.96Å; L84-M147 HydrophobicContact CD2-SD 4.11Å; L96-M147 HydrophobicContact CD2-CE 4.26Å; L96-M147 HydrophobicContact CD2-SD 4.03Å; Y137-M147 HydrophobicContact CD1-CE 3.81Å; Y137-M147 HydrophobicContact CG-CE 4Å; G139-M147 PolarHBondContact N-O 3.41Å; V140-M147 HydrophobicContact CB-CE 4.04Å; V140-M147 HydrophobicContact CG1-CE 4.25Å; V140-M147 PolarHBondContact O-N 2.78Å; L142-M147 HydrophobicContact CB-CE 4.1Å; L142-M147 HydrophobicContact CB-CG 3.75Å; L142-M147 HydrophobicContact CB-SD 3.82Å; L142-M147 HydrophobicContact CD2-CG 4.43Å; L142-M147 HydrophobicContact CD2-SD 3.81Å; L142-M147 HydrophobicContact CG-SD 4.37Å; R145-M147 PolarHBondContact O-N 3.28Å | ||
| 148 | V | 94.4 | Very high | 86.1 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.2 | 173.7 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | I81 S82 N83 | I81-V148 CarbonylContact C-O 3.53Å; I81-V148 WeakPolarHBondContact CA-O 3.4Å; S82-V148 PolarHBondContact N-O 3.42Å; S82-V148 PolarHBondContact O-N 3.06Å; S82-V148 WeakPolarHBondContact OG-CB 3.11Å; N83-V148 HydrophobicContact CB-CG2 4.4Å |
| 149 | I | 93.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.7 | -175 | -54.6 | 174 | 0 | 0 | 0 | 110.2 | L79 H80 I81 F97 K134 Y137 N138 | L79-I149 HydrophobicContact CB-CG2 4.13Å; L79-I149 HydrophobicContact CD1-CG2 3.97Å; L79-I149 HydrophobicContact CD2-CG2 4.17Å; L79-I149 HydrophobicContact CG-CG2 4.33Å; H80-I149 WeakPolarHBondContact O-CA 3.15Å; I81-I149 HydrophobicContact CG1-CG1 4.05Å; I81-I149 HydrophobicContact CG1-CG2 4.37Å; I81-I149 HydrophobicContact CG2-CG1 4.11Å; F97-I149 HydrophobicContact CE1-CD1 3.93Å; F97-I149 HydrophobicContact CZ-CD1 3.71Å; K134-I149 HydrophobicContact CB-CG2 3.9Å; K134-I149 WeakPolarHBondContact CE-O 3.34Å; K134-I149 HydrophobicContact CG-CB 4.25Å; K134-I149 HydrophobicContact CG-CG2 3.99Å; Y137-I149 HydrophobicContact CG-CD1 4.46Å; N138-I149 HydrophobicContact CB-CB 4.22Å; N138-I149 PolarHBondContact OD1-N 2.83Å; N138-I149 PolarHBondContact OD1-O 3.32Å |
| 150 | Q | 91.9 | Very high | 85.4 | Confident | 110 Ų | 110 | 63.9 Ų | 63.9 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.6 | 179.3 | -64.7 | -175.1 | -19.7 | 0 | 0 | 110.5 | L79 H80 | L79-Q150 CarbonylContact C-O 3.55Å; L79-Q150 WeakPolarHBondContact CA-O 3.44Å; H80-Q150 PolarHBondContact N-O 3.45Å; H80-Q150 PolarHBondContact O-N 3.36Å |
| 151 | L | 90.1 | Very high | 85 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 18% | 0.183 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 120.4 | 174.4 | -171.3 | 65.3 | 0 | 0 | 0 | 108.1 | A76 L79 A130 K134 | A76-L151 HydrophobicContact CB-CD1 3.51Å; A76-L151 HydrophobicContact CB-CD2 3.73Å; A76-L151 HydrophobicContact CB-CG 3.37Å; L79-L151 HydrophobicContact CD2-CD1 3.64Å; A130-L151 HydrophobicContact CB-CD1 4.33Å; K134-L151 HydrophobicContact CD-CB 4.16Å |
| 152 | V | 89.1 | Confident | 84.6 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 32% | 0.315 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.1 | 178 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | R78 H80 A154 | R78-V152 HydrophobicContact CB-CB 4.3Å; R78-V152 HydrophobicContact CG-CB 4.01Å; R78-V152 HydrophobicContact CG-CG1 4.49Å; R78-V152 PolarHBondContact O-N 3.11Å; H80-V152 HydrophobicContact CB-CG2 3.47Å; H80-V152 VanDerWaalsContact CB-CG2 3.47Å; V152-A154 PolarHBondContact O-N 3.1Å |
| 153 | G | 74.7 | Confident | 84.3 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 43% | 0.433 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 137 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G155 | G153-G155 PolarHBondContact O-N 2.86Š|
| 154 | A | 62 | Low | 84 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 58% | 0.579 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -66 | 116.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | V152 | V152-A154 PolarHBondContact O-N 3.1Š|
| 155 | G | 43.1 | Very low | 83.4 | Confident | 147 Ų | 147 | 59.5 Ų | 59.5 | 100% | 1.515 | 42% | 0.418 | S | S | * | . | trans | -70.7 | 0 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G153 | G153-G155 PolarHBondContact O-N 2.86Š|
Retrieved 155 of 155 residues in 45.2 ms
(Link to these results)