| 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 | 44.9 | Very low | 46.4 | Very low | 239 Ų | 239 | 155.5 Ų | 155.5 | 100% | 1.177 | 85% | 0.847 | S | S | * | * | 0 | 154.5 | 0 | -73.3 | 139.5 | 170.9 | 0 | 0 | 109.3 | |||||
| 2 | S | 49.7 | Very low | 45.8 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 88% | 0.881 | 85% | 0.851 | S | S | * | * | trans | 42.2 | 98.5 | 166.2 | -54.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 3 | K | 45.6 | Very low | 45.5 | Very low | 188 Ų | 188 | 151.2 Ų | 151.2 | 82% | 0.817 | 85% | 0.854 | S | S | * | * | trans | -81.9 | 155.5 | 150.7 | -62.1 | 177.2 | -179.4 | 177.4 | 0 | 109.5 | ||||
| 4 | R | 56.8 | Low | 45.1 | Very low | 255 Ų | 255 | 147.5 Ų | 147.5 | 96% | 0.962 | 84% | 0.842 | S | S | * | * | trans | -132.5 | 149.2 | 149.4 | -85.7 | -170.4 | 174.3 | 168.2 | -1.6 | 110 | ||||
| 5 | I | 50.2 | Low | 44.9 | Very low | 135 Ų | 135 | 154.1 Ų | 154.1 | 69% | 0.692 | 85% | 0.848 | S | S | * | * | trans | -139.7 | 174.5 | -168.9 | -66.4 | 172.3 | 0 | 0 | 0 | 106.5 | ||||
| 6 | L | 46 | Very low | 44.8 | Very low | 162 Ų | 162 | 151 Ų | 151 | 85% | 0.848 | 84% | 0.841 | S | S | * | * | trans | 103 | 145.3 | 166.7 | -55.2 | 166.2 | 0 | 0 | 0 | 114.8 | ||||
| 7 | A | 41.9 | Very low | 44.7 | Very low | 80 Ų | 80 | 156.2 Ų | 156.2 | 66% | 0.661 | 85% | 0.845 | S | S | * | * | cis | -164.9 | 147.2 | -22.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 8 | I | 42 | Very low | 44.7 | Very low | 149 Ų | 149 | 161.9 Ų | 161.9 | 76% | 0.764 | 85% | 0.852 | S | S | * | * | trans | 10.5 | 130 | 141.7 | -54.1 | 162.2 | 0 | 0 | 0 | 119.4 | ||||
| 9 | T | 50.3 | Low | 44.7 | Very low | 140 Ų | 140 | 165.7 Ų | 165.7 | 86% | 0.859 | 85% | 0.854 | S | S | * | * | trans | -157.3 | 135.4 | 130.1 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 10 | D | 39.5 | Very low | 44.6 | Very low | 159 Ų | 159 | 163.1 Ų | 163.1 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | trans | -83.5 | 164.2 | 173.9 | -70 | -77.9 | 0 | 0 | 0 | 113.9 | ||||
| 11 | G | 43.8 | Very low | 44.6 | Very low | 78 Ų | 78 | 166.9 Ų | 166.9 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | trans | -164.8 | 77.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 12 | S | 39.6 | Very low | 44.7 | Very low | 128 Ų | 128 | 160.7 Ų | 160.7 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | trans | -73.1 | 135.5 | 175.8 | -68.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 13 | S | 41.5 | Very low | 45 | Very low | 127 Ų | 127 | 160.6 Ų | 160.6 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | -169.2 | 171.3 | 124 | -157.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 14 | S | 40 | Very low | 45 | Very low | 99 Ų | 99 | 160.9 Ų | 160.9 | 69% | 0.692 | 83% | 0.834 | S | S | * | * | trans | -135.6 | 146.8 | -175.1 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 15 | R | 42.5 | Very low | 44.3 | Very low | 246 Ų | 246 | 158.4 Ų | 158.4 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | trans | 178.6 | 151.1 | 140.7 | -103.1 | 160.9 | 176.6 | -166.3 | -2.3 | 116.1 | ||||
| 16 | S | 43.3 | Very low | 44 | Very low | 105 Ų | 105 | 155.9 Ų | 155.9 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | trans | 66.2 | 90.4 | 145.9 | -160.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 17 | R | 42.8 | Very low | 44.4 | Very low | 240 Ų | 240 | 153.8 Ų | 153.8 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | 9.5 | 124.7 | 127.5 | -60.3 | 174 | 177.4 | 171.2 | -2.1 | 117.7 | |||||
| 18 | R | 44.5 | Very low | 44.7 | Very low | 258 Ų | 258 | 157.1 Ų | 157.1 | 97% | 0.974 | 83% | 0.828 | S | S | * | * | trans | -145.2 | 162.7 | 138.6 | -109.3 | 178.8 | -174.9 | -158.8 | 0.1 | 110.6 | ||||
| 19 | R | 45 | Very low | 45.1 | Very low | 235 Ų | 235 | 154.7 Ų | 154.7 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -88.8 | 151.2 | -163.6 | -75.5 | 177.4 | 160.7 | 178.6 | -7.3 | 114.4 | ||||
| 20 | S | 42.9 | Very low | 45.4 | Very low | 112 Ų | 112 | 152 Ų | 152 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | 52.6 | 104.9 | 140.2 | 63.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 21 | R | 43 | Very low | 46.1 | Very low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | -155 | 129.1 | 121.5 | -157.5 | 172.1 | -176 | -176.9 | -0.2 | 109.4 | |||||
| 22 | S | 47.8 | Very low | 46.9 | Very low | 109 Ų | 109 | 158.2 Ų | 158.2 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 136.1 | 173.5 | -55 | 0 | 0 | 0 | 0 | 110 | ||
| 23 | P | 56.3 | Low | 48.1 | Very low | 124 Ų | 124 | 162 Ų | 162 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 142 | 161.8 | 31.7 | -31.9 | 0 | 0 | 0 | 109.5 | ||
| 24 | E | 46 | Very low | 49.3 | Very low | 193 Ų | 193 | 167.2 Ų | 167.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 151.5 | -176.5 | -66.9 | -179.4 | 101.8 | 0 | 0 | 112.6 | S26 | E24-S26 PolarHBondContact O-N 3.38Š|
| 25 | K | 40.9 | Very low | 50.6 | Low | 204 Ų | 204 | 170.7 Ų | 170.7 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -92.3 | 92.1 | -174.8 | -172.7 | -177.8 | -178.6 | -175.8 | 0 | 109.9 | ||||
| 26 | S | 45.5 | Very low | 52 | Low | 81 Ų | 81 | 161.7 Ų | 161.7 | 57% | 0.566 | 80% | 0.796 | S | S | * | * | trans | -60.7 | 137.9 | 175.8 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | E24 D28 | E24-S26 PolarHBondContact O-N 3.38Å; S26-D28 PolarHBondContact O-N 3.48Å | ||
| 27 | P | 52.8 | Low | 52.8 | Low | 119 Ų | 119 | 168.1 Ų | 168.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -17.8 | -171.6 | 29.1 | -35.1 | 0 | 0 | 0 | 114.9 | S29 | P27-S29 VanDerWaalsContact C-N 3.35Å; P27-S29 PolarHBondContact O-N 3.29Å |
| 28 | D | 49.8 | Very low | 53.5 | Low | 150 Ų | 150 | 168.2 Ų | 168.2 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 4.3 | -168.7 | -69.4 | -66.2 | 0 | 0 | 0 | 116.2 | S26 A30 | S26-D28 PolarHBondContact O-N 3.48Å; D28-A30 VanDerWaalsContact C-N 3.26Å; D28-A30 PolarHBondContact O-N 3.04Å |
| 29 | S | 49.3 | Very low | 53.8 | Low | 97 Ų | 97 | 158.2 Ų | 158.2 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -85.6 | 50.3 | -178.6 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | P27 | P27-S29 VanDerWaalsContact C-N 3.35Å; P27-S29 PolarHBondContact O-N 3.29Å | ||
| 30 | A | 56.5 | Low | 54.2 | Low | 83 Ų | 83 | 149.5 Ų | 149.5 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | -68.3 | 129.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | D28 R32 | D28-A30 VanDerWaalsContact C-N 3.26Å; D28-A30 PolarHBondContact O-N 3.04Å; A30-R32 PolarHBondContact O-N 3.31Å | ||
| 31 | P | 55.1 | Low | 54.7 | Low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -66.5 | 126.1 | -176.3 | 25.8 | -33.6 | 0 | 0 | 0 | 111.1 | K33 | P31-K33 PolarHBondContact O-N 3.25Š| ||
| 32 | R | 59.3 | Low | 55 | Low | 249 Ų | 249 | 141.6 Ų | 141.6 | 94% | 0.94 | 72% | 0.722 | S | S | * | * | trans | -53.3 | 105.6 | 176.3 | -80.2 | -178.1 | 162.9 | -165.5 | -5.6 | 110.4 | A30 R34 | A30-R32 PolarHBondContact O-N 3.31Å; R32-R34 PolarHBondContact O-N 2.93Å | ||
| 33 | K | 64.5 | Low | 55.4 | Low | 206 Ų | 206 | 142.3 Ų | 142.3 | 90% | 0.896 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 124.7 | 175 | -72.1 | -177.5 | 177.1 | 178.6 | 0 | 109.3 | P31 K35 | P31-K33 PolarHBondContact O-N 3.25Å; K33-K35 PolarHBondContact O-N 3.22Å |
| 34 | R | 67.3 | Low | 55.4 | Low | 238 Ų | 238 | 139.7 Ų | 139.7 | 90% | 0.898 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -59 | 135.2 | 177.6 | -70.3 | 172.5 | 65.2 | 177.6 | 1 | 109.7 | R32 S36 | R32-R34 PolarHBondContact O-N 2.93Å; R34-S36 PolarHBondContact O-N 3.47Å |
| 35 | K | 68.3 | Low | 56.1 | Low | 172 Ų | 172 | 138 Ų | 138 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 122.4 | 170.7 | -175.2 | 79.2 | 173 | -173.4 | 0 | 108.7 | K33 | K33-K35 PolarHBondContact O-N 3.22Š|
| 36 | S | 71.8 | Confident | 56.9 | Low | 56 Ų | 56 | 131.9 Ų | 131.9 | 39% | 0.392 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 140.6 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | R34 W38 S39 | R34-S36 PolarHBondContact O-N 3.47Å; S36-W38 VanDerWaalsContact C-N 3.3Å; S36-W38 PolarHBondContact OG-N 3.19Å; S36-W38 VanDerWaalsContact OG-N 3.1Å; S36-S39 WeakPolarHBondContact CB-O 3.46Å; S36-S39 PolarHBondContact OG-N 3.1Å |
| 37 | R | 58.7 | Low | 57.6 | Low | 241 Ų | 241 | 136 Ų | 136 | 91% | 0.909 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75.7 | -21.5 | 168.1 | -84.7 | -176.1 | 62.9 | 148.8 | -2.4 | 112.7 | ||
| 38 | W | 57.7 | Low | 58 | Low | 241 Ų | 241 | 131 Ų | 131 | 91% | 0.913 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -104.7 | 3 | -175.8 | -60 | 103.2 | 0 | 0 | 0 | 112.6 | S36 | S36-W38 VanDerWaalsContact C-N 3.3Å; S36-W38 PolarHBondContact OG-N 3.19Å; S36-W38 VanDerWaalsContact OG-N 3.1Å |
| 39 | S | 50.9 | Low | 58.7 | Low | 49 Ų | 49 | 129 Ų | 129 | 34% | 0.343 | 63% | 0.632 | S | S | . | * | trans | -152.3 | 123 | 178.3 | -39.9 | 0 | 0 | 0 | 0 | 108.8 | S36 | S36-S39 WeakPolarHBondContact CB-O 3.46Å; S36-S39 PolarHBondContact OG-N 3.1Å | ||
| 40 | A | 53.6 | Low | 59.3 | Low | 52 Ų | 52 | 128.2 Ų | 128.2 | 43% | 0.43 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -63.5 | -171.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | D44 | A40-D44 HydrophobicContact CB-CB 3.56Å; A40-D44 WeakPolarHBondContact CB-OD2 3.46Å |
| 41 | A | 54.4 | Low | 59.8 | Low | 47 Ų | 47 | 125.1 Ų | 125.1 | 39% | 0.388 | 61% | 0.611 | S | S | . | * | trans | -60.7 | 165.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | T43 D44 | A41-T43 WeakPolarHBondContact CB-OG1 3.35Å; A41-T43 PolarHBondContact O-N 2.74Å; A41-T43 VanDerWaalsContact O-N 3.15Å; A41-D44 WeakPolarHBondContact CB-OD2 3.41Å; A41-D44 PolarHBondContact N-OD2 3.15Å; A41-D44 WeakPolarHBondContact O-CA 3.23Å; A41-D44 VanDerWaalsContact O-CB 3.28Å; A41-D44 WeakPolarHBondContact O-CB 3.49Å; A41-D44 PolarHBondContact O-N 3.03Å | ||
| 42 | E | 49.1 | Very low | 60.7 | Low | 142 Ų | 142 | 123.2 Ų | 123.2 | 66% | 0.664 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -65 | -20.9 | -177.7 | -164.9 | 145.7 | -146.3 | 0 | 0 | 112.5 | D44 R45 | E42-D44 PolarHBondContact O-N 3.44Å; E42-R45 IonicContact OE1-CZ 3.48Å; E42-R45 IonicContact OE1-NH1 3.88Å; E42-R45 PolarHBondContact OE1-NH1 2.72Å; E42-R45 IonicContact OE1-NH2 2.96Å; E42-R45 PolarHBondContact OE1-NH2 2.68Å |
| 43 | T | 55.8 | Low | 61.3 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 77% | 0.767 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -63.5 | -22.9 | 165.4 | 46.4 | 0 | 0 | 0 | 0 | 114.5 | A41 | A41-T43 WeakPolarHBondContact CB-OG1 3.35Å; A41-T43 PolarHBondContact O-N 2.74Å; A41-T43 VanDerWaalsContact O-N 3.15Å |
| 44 | D | 57.1 | Low | 61.9 | Low | 68 Ų | 68 | 114 Ų | 114 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -104.5 | 10.5 | -168.7 | -44 | -12 | 0 | 0 | 0 | 110.6 | A40 A41 E42 I46 | A40-D44 HydrophobicContact CB-CB 3.56Å; A40-D44 WeakPolarHBondContact CB-OD2 3.46Å; A41-D44 WeakPolarHBondContact CB-OD2 3.41Å; A41-D44 PolarHBondContact N-OD2 3.15Å; A41-D44 WeakPolarHBondContact O-CA 3.23Å; A41-D44 VanDerWaalsContact O-CB 3.28Å; A41-D44 WeakPolarHBondContact O-CB 3.49Å; A41-D44 PolarHBondContact O-N 3.03Å; E42-D44 PolarHBondContact O-N 3.44Å; D44-I46 PolarHBondContact O-N 2.77Å |
| 45 | R | 59 | Low | 62.4 | Low | 159 Ų | 159 | 105.7 Ų | 105.7 | 60% | 0.6 | 55% | 0.55 | S | S | * | . | trans | -69.8 | 98.9 | 169.1 | -74.8 | -161 | -171.9 | 123.4 | 14 | 109.2 | E42 F47 | E42-R45 IonicContact OE1-CZ 3.48Å; E42-R45 IonicContact OE1-NH1 3.88Å; E42-R45 PolarHBondContact OE1-NH1 2.72Å; E42-R45 IonicContact OE1-NH2 2.96Å; E42-R45 PolarHBondContact OE1-NH2 2.68Å; R45-F47 PolarHBondContact O-N 2.78Å | ||
| 46 | I | 59.3 | Low | 63 | Low | 74 Ų | 74 | 101 Ų | 101 | 38% | 0.379 | 54% | 0.537 | S | S | . | . | trans | -62.5 | 99.1 | 178.1 | -64.6 | 167.9 | 0 | 0 | 0 | 109.7 | D44 I48 D75 | D44-I46 PolarHBondContact O-N 2.77Å; I46-I48 HydrophobicContact CG2-CD1 4.26Å; I46-I48 HydrophobicContact CG2-CG1 4.02Å; I46-D75 WeakPolarHBondContact CG2-OD1 3.5Å | ||
| 47 | F | 60 | Low | 63.4 | Low | 168 Ų | 168 | 104.2 Ų | 104.2 | 74% | 0.737 | 56% | 0.557 | S | S | * | * | trans | -101.3 | 113.6 | 163.9 | -167.3 | -98.3 | 0 | 0 | 0 | 108 | R45 P49 | R45-F47 PolarHBondContact O-N 2.78Å; F47-P49 WeakPolarHBondContact O-CD 3.37Å | ||
| 48 | I | 61.4 | Low | 64.5 | Low | 15 Ų | 15 | 100 Ų | 100 | 8% | 0.077 | 55% | 0.552 | C | S | . | * | trans | -89.8 | 113.8 | 173.3 | -67.6 | 164.5 | 0 | 0 | 0 | 106.8 | I46 G50 M51 L71 E74 D75 | I46-I48 HydrophobicContact CG2-CD1 4.26Å; I46-I48 HydrophobicContact CG2-CG1 4.02Å; I48-G50 PolarHBondContact O-N 3.43Å; I48-M51 HydrophobicContact CB-CB 4.43Å; I48-M51 HydrophobicContact CG2-CB 3.89Å; I48-M51 PolarHBondContact O-N 3.15Å; I48-L71 HydrophobicContact CD1-CD1 3.67Å; I48-L71 HydrophobicContact CD1-CG 4.3Å; I48-E74 HydrophobicContact CD1-CB 4.47Å; I48-E74 HydrophobicContact CG2-CB 4.36Å; I48-D75 HydrophobicContact CD1-CB 4.02Å | ||
| 49 | P | 62.9 | Low | 65.7 | Low | 107 Ų | 107 | 91.5 Ų | 91.5 | 70% | 0.695 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 111.1 | -179.9 | -20.4 | 33.6 | 0 | 0 | 0 | 110.1 | F47 | F47-P49 WeakPolarHBondContact O-CD 3.37Š|
| 50 | G | 63.6 | Low | 67.5 | Low | 81 Ų | 81 | 92.1 Ų | 92.1 | 84% | 0.835 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109 | -16.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | I48 | I48-G50 PolarHBondContact O-N 3.43Š|
| 51 | M | 67.2 | Low | 69.2 | Low | 18 Ų | 18 | 93.6 Ų | 93.6 | 9% | 0.089 | 53% | 0.531 | C | S | . | . | trans | -118.3 | 113.4 | -179.7 | -161.2 | 173.6 | -173.7 | 0 | 0 | 111.8 | I48 Y67 Q70 L71 | I48-M51 HydrophobicContact CB-CB 4.43Å; I48-M51 HydrophobicContact CG2-CB 3.89Å; I48-M51 PolarHBondContact O-N 3.15Å; M51-Y67 HydrophobicContact CE-CD1 4.09Å; M51-Y67 HydrophobicContact CE-CD2 3.75Å; M51-Y67 HydrophobicContact CE-CE1 3.86Å; M51-Y67 HydrophobicContact CE-CE2 3.48Å; M51-Y67 VanDerWaalsContact CE-CE2 3.48Å; M51-Y67 HydrophobicContact CE-CG 4.04Å; M51-Y67 WeakPolarHBondContact CE-O 3.24Å; M51-Q70 HydrophobicContact CE-CB 4.22Å; M51-Q70 HydrophobicContact CE-CG 4.08Å; M51-Q70 HydrophobicContact SD-CG 4.35Å; M51-L71 HydrophobicContact CB-CD1 4.19Å; M51-L71 HydrophobicContact CE-CB 3.8Å; M51-L71 HydrophobicContact CE-CD1 4.22Å; M51-L71 HydrophobicContact CG-CD1 3.74Å; M51-L71 VanDerWaalsContact SD-CA 3.57Å; M51-L71 HydrophobicContact SD-CB 3.84Å; M51-L71 HydrophobicContact SD-CD1 3.5Å; M51-L71 WeakPolarHBondContact SD-CD1 3.34Å; M51-L71 HydrophobicContact SD-CG 4.28Å | ||
| 52 | P | 72.6 | Confident | 70.8 | Confident | 79 Ų | 79 | 97.9 Ų | 97.9 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | trans | -72.1 | 147 | 177.4 | 28.7 | -31.9 | 0 | 0 | 0 | 111.3 | Q54 Y67 | P52-Q54 VanDerWaalsContact C-N 3.26Å; P52-Q54 PolarHBondContact O-N 3.43Å; P52-Y67 WeakPolarHBondContact CD-OH 2.88Å; P52-Y67 WeakPolarHBondContact CG-OH 3.2Å; P52-Y67 PolarHBondContact O-OH 3.03Å | ||
| 53 | T | 73.2 | Confident | 72.7 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -85.5 | 4.3 | 177.5 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 54 | Q | 77 | Confident | 74.3 | Confident | 162 Ų | 162 | 93.8 Ų | 93.8 | 76% | 0.757 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -103.2 | 124.9 | 178.1 | -63.6 | -179.5 | 4.3 | 0 | 0 | 109.6 | P52 | P52-Q54 VanDerWaalsContact C-N 3.26Å; P52-Q54 PolarHBondContact O-N 3.43Å |
| 55 | L | 77.2 | Confident | 75.9 | Confident | 63 Ų | 63 | 97.9 Ų | 97.9 | 33% | 0.33 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 133.7 | 179.3 | -81.2 | 70.2 | 0 | 0 | 0 | 110.8 | L59 E64 Y67 I68 | L55-L59 HydrophobicContact CB-CD1 4.49Å; L55-E64 HydrophobicContact CD2-CB 4.33Å; L55-E64 HydrophobicContact CD2-CG 3.73Å; L55-Y67 HydrophobicContact CD1-CD1 3.96Å; L55-Y67 HydrophobicContact CD1-CE1 4.1Å; L55-Y67 HydrophobicContact CD2-CD1 4.48Å; L55-Y67 HydrophobicContact CG-CD1 3.77Å; L55-Y67 HydrophobicContact CG-CE1 4.15Å; L55-I68 HydrophobicContact CD2-CD1 4.16Å; L55-I68 HydrophobicContact CD2-CG1 4.15Å |
| 56 | P | 80.7 | Confident | 77.5 | Confident | 72 Ų | 72 | 91.6 Ų | 91.6 | 47% | 0.468 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 138.7 | 167.6 | -26.4 | 33.6 | 0 | 0 | 0 | 112.7 | N58 L59 | P56-N58 VanDerWaalsContact C-N 3.26Å; P56-N58 PolarHBondContact O-N 3.45Å; P56-L59 HydrophobicContact CB-CD1 4.27Å; P56-L59 HydrophobicContact CB-CG 4.27Å; P56-L59 HydrophobicContact CG-CD1 4.34Å |
| 57 | P | 79.9 | Confident | 78.9 | Confident | 125 Ų | 125 | 90.1 Ų | 90.1 | 81% | 0.812 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10 | -171.5 | 29.5 | -36.9 | 0 | 0 | 0 | 115 | ||
| 58 | N | 81.9 | Confident | 80.4 | Confident | 153 Ų | 153 | 85 Ų | 85 | 82% | 0.818 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 22.4 | -172 | -62 | -18.3 | 0 | 0 | 0 | 113.2 | P56 | P56-N58 VanDerWaalsContact C-N 3.26Å; P56-N58 PolarHBondContact O-N 3.45Å |
| 59 | L | 83 | Confident | 81.9 | Confident | 61 Ų | 61 | 84.7 Ų | 84.7 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | trans | -84.9 | 144.4 | 178.4 | -67.6 | 168.8 | 0 | 0 | 0 | 111.3 | L55 P56 Q63 | L55-L59 HydrophobicContact CB-CD1 4.49Å; P56-L59 HydrophobicContact CB-CD1 4.27Å; P56-L59 HydrophobicContact CB-CG 4.27Å; P56-L59 HydrophobicContact CG-CD1 4.34Å; L59-Q63 HydrophobicContact CB-CB 4.15Å; L59-Q63 HydrophobicContact CD2-CB 3.82Å | ||
| 60 | T | 89.7 | Confident | 83.2 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | trans | -70.5 | 156.3 | 166.4 | 77.6 | 0 | 0 | 0 | 0 | 110.4 | Q62 Q63 E64 | T60-Q62 PolarHBondContact O-N 2.92Å; T60-Q62 PolarHBondContact OG1-N 3.27Å; T60-Q63 PolarHBondContact O-N 3.19Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.18Å; T60-Q63 PolarHBondContact OG1-N 3.44Å; T60-E64 PolarHBondContact O-N 3.03Å | ||
| 61 | P | 88.9 | Confident | 84.4 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.1 | -12.3 | 176.6 | 24.9 | -35.6 | 0 | 0 | 0 | 114 | R65 | P61-R65 VanDerWaalsContact O-CD 3.29Å; P61-R65 WeakPolarHBondContact O-CD 3.37Å; P61-R65 VanDerWaalsContact O-CG 3.24Å; P61-R65 WeakPolarHBondContact O-CG 3.28Å; P61-R65 PolarHBondContact O-NE 3.43Å |
| 62 | Q | 87.9 | Confident | 85.5 | Confident | 137 Ų | 137 | 83.5 Ų | 83.5 | 64% | 0.64 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -80.7 | -46 | 167.7 | -71.2 | 173.9 | -26.4 | 0 | 0 | 111.1 | T60 E64 R65 V66 | T60-Q62 PolarHBondContact O-N 2.92Å; T60-Q62 PolarHBondContact OG1-N 3.27Å; Q62-E64 VanDerWaalsContact C-N 3.34Å; Q62-E64 PolarHBondContact O-N 2.86Å; Q62-R65 PolarHBondContact O-N 3.2Å; Q62-V66 WeakPolarHBondContact O-CG2 3.3Å; Q62-V66 PolarHBondContact O-N 2.9Å |
| 63 | Q | 88.6 | Confident | 86.4 | Confident | 93 Ų | 93 | 79.8 Ų | 79.8 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 177.3 | -67 | 169 | -25.9 | 0 | 0 | 112.3 | L59 T60 V66 Y67 | L59-Q63 HydrophobicContact CB-CB 4.15Å; L59-Q63 HydrophobicContact CD2-CB 3.82Å; T60-Q63 PolarHBondContact O-N 3.19Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.18Å; T60-Q63 PolarHBondContact OG1-N 3.44Å; Q63-V66 PolarHBondContact O-N 2.88Å; Q63-Y67 WeakPolarHBondContact O-CB 3.29Å; Q63-Y67 PolarHBondContact O-N 2.82Å |
| 64 | E | 89.7 | Confident | 87.2 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 41% | 0.407 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 169.2 | 167 | 172.2 | -143.1 | 0 | 0 | 111.4 | L55 T60 Q62 Y67 I68 | L55-E64 HydrophobicContact CD2-CB 4.33Å; L55-E64 HydrophobicContact CD2-CG 3.73Å; T60-E64 PolarHBondContact O-N 3.03Å; Q62-E64 VanDerWaalsContact C-N 3.34Å; Q62-E64 PolarHBondContact O-N 2.86Å; E64-Y67 PolarHBondContact O-N 3.48Å; E64-I68 HydrophobicContact CG-CD1 3.68Å; E64-I68 VanDerWaalsContact O-CG1 3.3Å; E64-I68 WeakPolarHBondContact O-CG1 3.41Å; E64-I68 PolarHBondContact O-N 2.94Å |
| 65 | R | 90.9 | Very high | 87.8 | Confident | 154 Ų | 154 | 71.1 Ų | 71.1 | 58% | 0.581 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 177.6 | -69.6 | 168.6 | -171.6 | -163.3 | 1.5 | 111.5 | P61 Q62 Y67 I68 I69 | P61-R65 VanDerWaalsContact O-CD 3.29Å; P61-R65 WeakPolarHBondContact O-CD 3.37Å; P61-R65 VanDerWaalsContact O-CG 3.24Å; P61-R65 WeakPolarHBondContact O-CG 3.28Å; P61-R65 PolarHBondContact O-NE 3.43Å; Q62-R65 PolarHBondContact O-N 3.2Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-Y67 PolarHBondContact O-N 2.8Å; R65-I68 PolarHBondContact O-N 3.28Å; R65-I69 HydrophobicContact CB-CD1 4.44Å; R65-I69 WeakPolarHBondContact O-CB 3.46Å; R65-I69 WeakPolarHBondContact O-CD1 3.39Å; R65-I69 WeakPolarHBondContact O-CG1 3.42Å; R65-I69 PolarHBondContact O-N 3.29Å |
| 66 | V | 91.3 | Very high | 88.3 | Confident | 28 Ų | 28 | 69 Ų | 69 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -53.3 | -47.5 | 174.2 | 164.5 | 0 | 0 | 0 | 0 | 110.7 | Q62 Q63 Q70 L131 I134 N135 | Q62-V66 WeakPolarHBondContact O-CG2 3.3Å; Q62-V66 PolarHBondContact O-N 2.9Å; Q63-V66 PolarHBondContact O-N 2.88Å; V66-Q70 WeakPolarHBondContact O-CB 3.38Å; V66-Q70 PolarHBondContact O-N 3.08Å; V66-L131 HydrophobicContact CB-CD1 4.05Å; V66-L131 HydrophobicContact CG1-CD1 3.98Å; V66-L131 HydrophobicContact CG2-CD1 3.97Å; V66-I134 HydrophobicContact CG2-CB 4.4Å; V66-I134 HydrophobicContact CG2-CG2 3.59Å; V66-N135 HydrophobicContact CG2-CB 4.27Å |
| 67 | Y | 89.6 | Confident | 88.8 | Confident | 42 Ų | 42 | 66 Ų | 66 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -46.3 | -179.8 | -166.8 | -96.4 | 0 | 0 | 0 | 113 | M51 P52 L55 Q63 E64 R65 Q70 L71 | M51-Y67 HydrophobicContact CE-CD1 4.09Å; M51-Y67 HydrophobicContact CE-CD2 3.75Å; M51-Y67 HydrophobicContact CE-CE1 3.86Å; M51-Y67 HydrophobicContact CE-CE2 3.48Å; M51-Y67 VanDerWaalsContact CE-CE2 3.48Å; M51-Y67 HydrophobicContact CE-CG 4.04Å; M51-Y67 WeakPolarHBondContact CE-O 3.24Å; P52-Y67 WeakPolarHBondContact CD-OH 2.88Å; P52-Y67 WeakPolarHBondContact CG-OH 3.2Å; P52-Y67 PolarHBondContact O-OH 3.03Å; L55-Y67 HydrophobicContact CD1-CD1 3.96Å; L55-Y67 HydrophobicContact CD1-CE1 4.1Å; L55-Y67 HydrophobicContact CD2-CD1 4.48Å; L55-Y67 HydrophobicContact CG-CD1 3.77Å; L55-Y67 HydrophobicContact CG-CE1 4.15Å; Q63-Y67 WeakPolarHBondContact O-CB 3.29Å; Q63-Y67 PolarHBondContact O-N 2.82Å; E64-Y67 PolarHBondContact O-N 3.48Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-Y67 PolarHBondContact O-N 2.8Å; Y67-Q70 PolarHBondContact O-N 3.24Å; Y67-L71 WeakPolarHBondContact O-CB 3.49Å; Y67-L71 PolarHBondContact O-N 2.66Å |
| 68 | I | 91.3 | Very high | 89.1 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 179 | -68.4 | 166.8 | 0 | 0 | 0 | 110.9 | L55 E64 R65 L71 Q72 | L55-I68 HydrophobicContact CD2-CD1 4.16Å; L55-I68 HydrophobicContact CD2-CG1 4.15Å; E64-I68 HydrophobicContact CG-CD1 3.68Å; E64-I68 VanDerWaalsContact O-CG1 3.3Å; E64-I68 WeakPolarHBondContact O-CG1 3.41Å; E64-I68 PolarHBondContact O-N 2.94Å; R65-I68 PolarHBondContact O-N 3.28Å; I68-L71 PolarHBondContact O-N 2.93Å; I68-Q72 VanDerWaalsContact O-CG 3.29Å; I68-Q72 WeakPolarHBondContact O-CG 3.31Å; I68-Q72 PolarHBondContact O-N 2.74Å |
| 69 | I | 92.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 178.9 | -65.3 | 164.5 | 0 | 0 | 0 | 110.2 | R65 Q72 I73 L127 Q130 L131 I134 | R65-I69 HydrophobicContact CB-CD1 4.44Å; R65-I69 WeakPolarHBondContact O-CB 3.46Å; R65-I69 WeakPolarHBondContact O-CD1 3.39Å; R65-I69 WeakPolarHBondContact O-CG1 3.42Å; R65-I69 PolarHBondContact O-N 3.29Å; I69-Q72 PolarHBondContact O-N 2.71Å; I69-I73 HydrophobicContact CG2-CD1 3.84Å; I69-I73 HydrophobicContact CG2-CG1 4.47Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.29Å; I69-I73 PolarHBondContact O-N 3.28Å; I69-L127 HydrophobicContact CG2-CB 4.02Å; I69-L127 HydrophobicContact CG2-CD2 4.16Å; I69-L127 WeakPolarHBondContact CG2-O 3.42Å; I69-Q130 HydrophobicContact CD1-CG 3.95Å; I69-L131 HydrophobicContact CB-CD1 4.33Å; I69-L131 HydrophobicContact CG2-CB 3.83Å; I69-L131 HydrophobicContact CG2-CD1 4.27Å; I69-L131 HydrophobicContact CG2-CD2 4.13Å; I69-L131 HydrophobicContact CG2-CG 4.31Å; I69-I134 HydrophobicContact CD1-CD1 3.99Å |
| 70 | Q | 90.2 | Very high | 89.5 | Confident | 65 Ų | 65 | 57.6 Ų | 57.6 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.1 | 179 | 176.2 | -16.8 | 0 | 0 | 111.8 | M51 V66 Y67 Q72 I73 E74 L131 | M51-Q70 HydrophobicContact CE-CB 4.22Å; M51-Q70 HydrophobicContact CE-CG 4.08Å; M51-Q70 HydrophobicContact SD-CG 4.35Å; V66-Q70 WeakPolarHBondContact O-CB 3.38Å; V66-Q70 PolarHBondContact O-N 3.08Å; Y67-Q70 PolarHBondContact O-N 3.24Å; Q70-Q72 PolarHBondContact O-N 2.93Å; Q70-I73 PolarHBondContact O-N 3.06Å; Q70-I73 VanDerWaalsContact O-N 3.1Å; Q70-E74 HydrophobicContact CG-CG 4.46Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.17Å; Q70-E74 PolarHBondContact NE2-OE1 3.41Å; Q70-E74 PolarHBondContact O-N 3.39Å; Q70-L131 HydrophobicContact CB-CD2 4.25Å |
| 71 | L | 89.7 | Confident | 89.4 | Confident | 32 Ų | 32 | 61 Ų | 61 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.8 | -38 | 177.3 | -174.7 | 71.9 | 0 | 0 | 0 | 111.9 | I48 M51 Y67 I68 D75 | I48-L71 HydrophobicContact CD1-CD1 3.67Å; I48-L71 HydrophobicContact CD1-CG 4.3Å; M51-L71 HydrophobicContact CB-CD1 4.19Å; M51-L71 HydrophobicContact CE-CB 3.8Å; M51-L71 HydrophobicContact CE-CD1 4.22Å; M51-L71 HydrophobicContact CG-CD1 3.74Å; M51-L71 VanDerWaalsContact SD-CA 3.57Å; M51-L71 HydrophobicContact SD-CB 3.84Å; M51-L71 HydrophobicContact SD-CD1 3.5Å; M51-L71 WeakPolarHBondContact SD-CD1 3.34Å; M51-L71 HydrophobicContact SD-CG 4.28Å; Y67-L71 WeakPolarHBondContact O-CB 3.49Å; Y67-L71 PolarHBondContact O-N 2.66Å; I68-L71 PolarHBondContact O-N 2.93Å; L71-D75 WeakPolarHBondContact O-CB 3.44Å; L71-D75 PolarHBondContact O-N 3.4Å |
| 72 | Q | 90.8 | Very high | 89.2 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.7 | -43.4 | 175.2 | -69.3 | 170.6 | 2.1 | 0 | 0 | 112.2 | I68 I69 Q70 E74 D75 M76 L127 | I68-Q72 VanDerWaalsContact O-CG 3.29Å; I68-Q72 WeakPolarHBondContact O-CG 3.31Å; I68-Q72 PolarHBondContact O-N 2.74Å; I69-Q72 PolarHBondContact O-N 2.71Å; Q70-Q72 PolarHBondContact O-N 2.93Å; Q72-E74 VanDerWaalsContact C-N 3.29Å; Q72-E74 PolarHBondContact O-N 2.94Å; Q72-D75 PolarHBondContact O-N 3.26Å; Q72-M76 WeakPolarHBondContact O-CB 3.3Å; Q72-M76 VanDerWaalsContact O-CG 3.24Å; Q72-M76 WeakPolarHBondContact O-CG 3.49Å; Q72-M76 PolarHBondContact O-N 2.9Å; Q72-L127 HydrophobicContact CB-CD1 3.63Å |
| 73 | I | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 175.9 | -68.5 | 161.1 | 0 | 0 | 0 | 111.1 | I69 Q70 S77 R124 L127 V128 L131 P141 | I69-I73 HydrophobicContact CG2-CD1 3.84Å; I69-I73 HydrophobicContact CG2-CG1 4.47Å; I69-I73 VanDerWaalsContact O-CG1 3.31Å; I69-I73 WeakPolarHBondContact O-CG1 3.29Å; I69-I73 PolarHBondContact O-N 3.28Å; Q70-I73 PolarHBondContact O-N 3.06Å; Q70-I73 VanDerWaalsContact O-N 3.1Å; I73-S77 WeakPolarHBondContact O-CB 3.42Å; I73-S77 PolarHBondContact O-N 3.37Å; I73-S77 PolarHBondContact O-OG 2.96Å; I73-R124 HydrophobicContact CG2-CG 4.41Å; I73-L127 HydrophobicContact CD1-CB 4.09Å; I73-L127 HydrophobicContact CG1-CB 3.68Å; I73-L127 HydrophobicContact CG1-CD1 4.41Å; I73-V128 HydrophobicContact CD1-CG2 3.78Å; I73-V128 HydrophobicContact CG1-CG2 4.07Å; I73-V128 HydrophobicContact CG2-CG2 4.12Å; I73-L131 HydrophobicContact CD1-CB 4.25Å; I73-L131 HydrophobicContact CD1-CD2 3.59Å; I73-P141 HydrophobicContact CG2-CG 4.17Å |
| 74 | E | 89.5 | Confident | 88.4 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 29% | 0.29 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 175.2 | -71.9 | -176.7 | -151.7 | 0 | 0 | 111.9 | I48 Q70 Q72 S77 R78 | I48-E74 HydrophobicContact CD1-CB 4.47Å; I48-E74 HydrophobicContact CG2-CB 4.36Å; Q70-E74 HydrophobicContact CG-CG 4.46Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.17Å; Q70-E74 PolarHBondContact NE2-OE1 3.41Å; Q70-E74 PolarHBondContact O-N 3.39Å; Q72-E74 VanDerWaalsContact C-N 3.29Å; Q72-E74 PolarHBondContact O-N 2.94Å; E74-S77 PolarHBondContact O-N 2.9Å; E74-R78 WeakPolarHBondContact O-CB 3.45Å; E74-R78 PolarHBondContact O-N 2.94Å |
| 75 | D | 88.5 | Confident | 87.9 | Confident | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.9 | -50.4 | 173.8 | -178.1 | 40.3 | 0 | 0 | 0 | 112.1 | I46 I48 L71 Q72 S77 R78 R79 | I46-D75 WeakPolarHBondContact CG2-OD1 3.5Å; I48-D75 HydrophobicContact CD1-CB 4.02Å; L71-D75 WeakPolarHBondContact O-CB 3.44Å; L71-D75 PolarHBondContact O-N 3.4Å; Q72-D75 PolarHBondContact O-N 3.26Å; D75-S77 VanDerWaalsContact C-N 3.35Å; D75-S77 PolarHBondContact O-N 3.39Å; D75-R78 WeakPolarHBondContact O-CB 3.39Å; D75-R78 PolarHBondContact O-N 3.22Å; D75-R78 IonicContact OD1-CZ 3.83Å; D75-R78 IonicContact OD1-NH1 2.68Å; D75-R78 PolarHBondContact OD1-NH1 2.94Å; D75-R78 IonicContact OD1-NH2 3.99Å; D75-R78 PolarHBondContact OD1-NH2 2.88Å; D75-R79 WeakPolarHBondContact O-CG 3.42Å; D75-R79 PolarHBondContact O-N 2.83Å; D75-R79 IonicContact OD1-NE 2.66Å; D75-R79 PolarHBondContact OD1-NE 3.09Å; D75-R79 IonicContact OD1-NH2 3.95Å; D75-R79 IonicContact OD2-CZ 2.72Å; D75-R79 IonicContact OD2-NE 3.19Å; D75-R79 PolarHBondContact OD2-NE 2.89Å; D75-R79 IonicContact OD2-NH2 2.68Å; D75-R79 PolarHBondContact OD2-NH2 3.24Å |
| 76 | M | 89.2 | Confident | 87 | Confident | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 179.8 | -65.9 | -173.2 | 77.4 | 0 | 0 | 111.9 | Q72 R78 R79 L80 L120 D123 R124 L127 | Q72-M76 WeakPolarHBondContact O-CB 3.3Å; Q72-M76 VanDerWaalsContact O-CG 3.24Å; Q72-M76 WeakPolarHBondContact O-CG 3.49Å; Q72-M76 PolarHBondContact O-N 2.9Å; M76-R78 VanDerWaalsContact C-N 3.33Å; M76-R78 PolarHBondContact O-N 2.94Å; M76-R79 PolarHBondContact O-N 3.33Å; M76-L80 VanDerWaalsContact O-CG 3.32Å; M76-L80 WeakPolarHBondContact O-CG 3.36Å; M76-L80 PolarHBondContact O-N 3.4Å; M76-L120 HydrophobicContact CE-CB 4.17Å; M76-L120 HydrophobicContact CE-CD2 3.62Å; M76-L120 WeakPolarHBondContact CE-O 3.23Å; M76-D123 HydrophobicContact CE-CB 3.32Å; M76-D123 HydrophobicContact SD-CB 4.25Å; M76-R124 HydrophobicContact CB-CB 4.26Å; M76-R124 HydrophobicContact CE-CB 4.17Å; M76-R124 HydrophobicContact SD-CB 4.22Å; M76-L127 HydrophobicContact SD-CD1 3.79Å |
| 77 | S | 89.5 | Confident | 86.3 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 174.5 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | I73 E74 D75 K81 R124 | I73-S77 WeakPolarHBondContact O-CB 3.42Å; I73-S77 PolarHBondContact O-N 3.37Å; I73-S77 PolarHBondContact O-OG 2.96Å; E74-S77 PolarHBondContact O-N 2.9Å; D75-S77 VanDerWaalsContact C-N 3.35Å; D75-S77 PolarHBondContact O-N 3.39Å; S77-K81 WeakPolarHBondContact O-CB 3.22Å; S77-K81 VanDerWaalsContact O-CG 3.32Å; S77-K81 WeakPolarHBondContact O-CG 3.27Å; S77-K81 PolarHBondContact O-N 3.47Å; S77-K81 VanDerWaalsContact O-N 3.08Å; S77-R124 WeakPolarHBondContact OG-CD 3.13Å |
| 78 | R | 86.6 | Confident | 85.6 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 172.5 | -167.2 | -167.5 | 72.7 | -89.2 | -12.3 | 111.5 | E74 D75 M76 L80 K81 S82 | E74-R78 WeakPolarHBondContact O-CB 3.45Å; E74-R78 PolarHBondContact O-N 2.94Å; D75-R78 WeakPolarHBondContact O-CB 3.39Å; D75-R78 PolarHBondContact O-N 3.22Å; D75-R78 IonicContact OD1-CZ 3.83Å; D75-R78 IonicContact OD1-NH1 2.68Å; D75-R78 PolarHBondContact OD1-NH1 2.94Å; D75-R78 IonicContact OD1-NH2 3.99Å; D75-R78 PolarHBondContact OD1-NH2 2.88Å; M76-R78 VanDerWaalsContact C-N 3.33Å; M76-R78 PolarHBondContact O-N 2.94Å; R78-L80 VanDerWaalsContact C-N 3.35Å; R78-L80 PolarHBondContact O-N 2.98Å; R78-K81 PolarHBondContact O-N 2.93Å; R78-S82 WeakPolarHBondContact O-CB 3.38Å; R78-S82 PolarHBondContact O-N 2.94Å; R78-S82 PolarHBondContact O-OG 2.96Å |
| 79 | R | 86.1 | Confident | 84.8 | Confident | 74 Ų | 74 | 55.4 Ų | 55.4 | 28% | 0.279 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.2 | -66.6 | 173 | -165.6 | -140.4 | 12.3 | 112.2 | D75 M76 K81 S82 G83 D84 L120 | D75-R79 WeakPolarHBondContact O-CG 3.42Å; D75-R79 PolarHBondContact O-N 2.83Å; D75-R79 IonicContact OD1-NE 2.66Å; D75-R79 PolarHBondContact OD1-NE 3.09Å; D75-R79 IonicContact OD1-NH2 3.95Å; D75-R79 IonicContact OD2-CZ 2.72Å; D75-R79 IonicContact OD2-NE 3.19Å; D75-R79 PolarHBondContact OD2-NE 2.89Å; D75-R79 IonicContact OD2-NH2 2.68Å; D75-R79 PolarHBondContact OD2-NH2 3.24Å; M76-R79 PolarHBondContact O-N 3.33Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 3.04Å; R79-S82 PolarHBondContact O-OG 3.37Å; R79-G83 PolarHBondContact O-N 3.41Å; R79-D84 WeakPolarHBondContact CB-O 3.15Å; R79-L120 HydrophobicContact CB-CD1 4.24Å |
| 80 | L | 87.9 | Confident | 83.8 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | 175.7 | -71.5 | 170.7 | 0 | 0 | 0 | 112.7 | M76 R78 R117 L120 E121 | M76-L80 VanDerWaalsContact O-CG 3.32Å; M76-L80 WeakPolarHBondContact O-CG 3.36Å; M76-L80 PolarHBondContact O-N 3.4Å; R78-L80 VanDerWaalsContact C-N 3.35Å; R78-L80 PolarHBondContact O-N 2.98Å; L80-R117 HydrophobicContact CD2-CG 3.8Å; L80-L120 HydrophobicContact CD2-CB 3.81Å; L80-L120 HydrophobicContact CG-CB 4.21Å; L80-E121 HydrophobicContact CD1-CG 3.85Å; L80-E121 HydrophobicContact CD2-CG 3.82Å |
| 81 | K | 87.1 | Confident | 82.9 | Confident | 135 Ų | 135 | 61 Ų | 61 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -77.2 | -41.9 | 177.3 | -74.9 | 178.9 | -179.6 | -173.5 | 0 | 113.8 | S77 R78 R79 G83 D143 | S77-K81 WeakPolarHBondContact O-CB 3.22Å; S77-K81 VanDerWaalsContact O-CG 3.32Å; S77-K81 WeakPolarHBondContact O-CG 3.27Å; S77-K81 PolarHBondContact O-N 3.47Å; S77-K81 VanDerWaalsContact O-N 3.08Å; R78-K81 PolarHBondContact O-N 2.93Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 3.04Å; K81-G83 VanDerWaalsContact C-N 3.29Å; K81-G83 PolarHBondContact O-N 3.05Å; K81-D143 WeakPolarHBondContact CE-OD1 3.22Å; K81-D143 WeakPolarHBondContact CE-OD2 3.5Å; K81-D143 VanDerWaalsContact NZ-CG 3.35Å; K81-D143 IonicContact NZ-OD1 3.05Å; K81-D143 IonicContact NZ-OD2 2.86Å; K81-D143 PolarHBondContact NZ-OD2 3.48Å |
| 82 | S | 83.9 | Confident | 82.1 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 53% | 0.531 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74.8 | -19.7 | -178.2 | 66.1 | 0 | 0 | 0 | 0 | 113.4 | R78 R79 D84 | R78-S82 WeakPolarHBondContact O-CB 3.38Å; R78-S82 PolarHBondContact O-N 2.94Å; R78-S82 PolarHBondContact O-OG 2.96Å; R79-S82 PolarHBondContact O-OG 3.37Å; S82-D84 PolarHBondContact O-N 3.04Å; S82-D84 PolarHBondContact OG-N 2.84Å; S82-D84 VanDerWaalsContact OG-N 3.15Å |
| 83 | G | 80.3 | Confident | 81.3 | Confident | 44 Ų | 44 | 69.1 Ų | 69.1 | 45% | 0.454 | 37% | 0.371 | S | S | . | . | trans | 75.7 | 0.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R79 K81 L85 | R79-G83 PolarHBondContact O-N 3.41Å; K81-G83 VanDerWaalsContact C-N 3.29Å; K81-G83 PolarHBondContact O-N 3.05Å; G83-L85 VanDerWaalsContact C-N 3.27Å; G83-L85 PolarHBondContact O-N 3.36Å | ||
| 84 | D | 80.9 | Confident | 80.7 | Confident | 93 Ų | 93 | 73 Ų | 73 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | trans | -77.1 | 83.8 | 168.2 | -177.4 | 19.8 | 0 | 0 | 0 | 110 | R79 S82 G86 | R79-D84 WeakPolarHBondContact CB-O 3.15Å; S82-D84 PolarHBondContact O-N 3.04Å; S82-D84 PolarHBondContact OG-N 2.84Å; S82-D84 VanDerWaalsContact OG-N 3.15Å; D84-G86 PolarHBondContact O-N 3.36Å; D84-G86 PolarHBondContact OD1-N 3.49Å; D84-G86 VanDerWaalsContact OD1-N 3.08Å | ||
| 85 | L | 78 | Confident | 79.9 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | trans | -74 | 2.8 | 176.7 | -59.6 | 176.8 | 0 | 0 | 0 | 112.7 | G83 I87 E113 T116 R117 L120 | G83-L85 VanDerWaalsContact C-N 3.27Å; G83-L85 PolarHBondContact O-N 3.36Å; L85-I87 HydrophobicContact CB-CD1 3.89Å; L85-I87 HydrophobicContact CB-CG1 3.93Å; L85-I87 HydrophobicContact CD1-CD1 3.93Å; L85-I87 PolarHBondContact O-N 3.37Å; L85-E113 HydrophobicContact CD1-CB 4.36Å; L85-E113 WeakPolarHBondContact CD1-O 3.49Å; L85-T116 HydrophobicContact CB-CG2 3.87Å; L85-T116 WeakPolarHBondContact O-CG2 3.44Å; L85-R117 HydrophobicContact CD1-CB 4.32Å; L85-R117 HydrophobicContact CD2-CB 4.07Å; L85-L120 HydrophobicContact CD2-CD1 3.88Å | ||
| 86 | G | 73.3 | Confident | 79.4 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | trans | 67.2 | 17.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D84 P88 | D84-G86 PolarHBondContact O-N 3.36Å; D84-G86 PolarHBondContact OD1-N 3.49Å; D84-G86 VanDerWaalsContact OD1-N 3.08Å; G86-P88 WeakPolarHBondContact O-CD 3.24Å | ||
| 87 | I | 76.9 | Confident | 78.8 | Confident | 40 Ų | 40 | 82.5 Ų | 82.5 | 21% | 0.205 | 46% | 0.46 | C | S | . | . | trans | -69.8 | 125.8 | 179.7 | -64.7 | 168 | 0 | 0 | 0 | 109.1 | L85 K89 R112 E113 T116 | L85-I87 HydrophobicContact CB-CD1 3.89Å; L85-I87 HydrophobicContact CB-CG1 3.93Å; L85-I87 HydrophobicContact CD1-CD1 3.93Å; L85-I87 PolarHBondContact O-N 3.37Å; I87-K89 PolarHBondContact O-N 2.82Å; I87-R112 HydrophobicContact CD1-CG 4.26Å; I87-R112 HydrophobicContact CG2-CG 4.45Å; I87-E113 HydrophobicContact CD1-CG 4.26Å; I87-T116 HydrophobicContact CD1-CG2 4.49Å; I87-T116 HydrophobicContact CG1-CG2 3.98Å | ||
| 88 | P | 74 | Confident | 78.4 | Confident | 55 Ų | 55 | 85.6 Ų | 85.6 | 36% | 0.357 | 48% | 0.48 | S | S | . | . | trans | -54.8 | 128.8 | 176.7 | -28.3 | 36.3 | 0 | 0 | 0 | 112.3 | G86 D93 R94 | G86-P88 WeakPolarHBondContact O-CD 3.24Å; P88-D93 HydrophobicContact CB-CB 3.72Å; P88-D93 HydrophobicContact CG-CB 4.23Å; P88-R94 HydrophobicContact CB-CG 4.34Å; P88-R94 VanDerWaalsContact O-CZ 3.26Å; P88-R94 PolarHBondContact O-NE 3.17Å; P88-R94 PolarHBondContact O-NH2 3.19Å | ||
| 89 | K | 74.1 | Confident | 78.2 | Confident | 192 Ų | 192 | 90.3 Ų | 90.3 | 84% | 0.835 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -69.3 | -36.7 | 178.4 | -69.3 | -179.7 | 179.3 | 174.2 | 0 | 111.6 | I87 R94 | I87-K89 PolarHBondContact O-N 2.82Å; K89-R94 PolarHBondContact O-NH2 3.49Å |
| 90 | N | 72.6 | Confident | 78.1 | Confident | 97 Ų | 97 | 89.9 Ų | 89.9 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -62.5 | 142.9 | 169.7 | -60.6 | -14 | 0 | 0 | 0 | 110.3 | D93 R94 | N90-D93 HydrophobicContact CB-CB 4.34Å; N90-D93 VanDerWaalsContact CB-OD2 3.23Å; N90-D93 WeakPolarHBondContact CB-OD2 3.46Å; N90-D93 PolarHBondContact ND2-OD2 3.39Å; N90-R94 WeakPolarHBondContact O-CG 3.46Å; N90-R94 PolarHBondContact O-NE 3.01Å; N90-R94 VanDerWaalsContact O-NE 3.15Å |
| 91 | P | 70.2 | Confident | 78 | Confident | 93 Ų | 93 | 94.1 Ų | 94.1 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -76 | -31.4 | 175.7 | 29.8 | -32.9 | 0 | 0 | 0 | 113.3 | R94 | P91-R94 WeakPolarHBondContact O-CB 3.41Å; P91-R94 WeakPolarHBondContact O-CG 3.46Å; P91-R94 PolarHBondContact O-N 3.15Å |
| 92 | E | 73.5 | Confident | 77.9 | Confident | 182 Ų | 182 | 94.6 Ų | 94.6 | 85% | 0.85 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -34.3 | -174.8 | -62.4 | 176.2 | -176.2 | 0 | 0 | 113 | R94 | E92-R94 PolarHBondContact O-N 3.35Š|
| 93 | D | 73.6 | Confident | 77.9 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 57% | 0.572 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 8.8 | 176.1 | -66.4 | -56.8 | 0 | 0 | 0 | 113.5 | P88 N90 | P88-D93 HydrophobicContact CB-CB 3.72Å; P88-D93 HydrophobicContact CG-CB 4.23Å; N90-D93 HydrophobicContact CB-CB 4.34Å; N90-D93 VanDerWaalsContact CB-OD2 3.23Å; N90-D93 WeakPolarHBondContact CB-OD2 3.46Å; N90-D93 PolarHBondContact ND2-OD2 3.39Å |
| 94 | R | 78.4 | Confident | 78.1 | Confident | 80 Ų | 80 | 97 Ų | 97 | 30% | 0.302 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -102.2 | 133.2 | -175.1 | -59.8 | 178.4 | 176.1 | 144.9 | 2 | 110.9 | P88 K89 N90 P91 E92 | P88-R94 HydrophobicContact CB-CG 4.34Å; P88-R94 VanDerWaalsContact O-CZ 3.26Å; P88-R94 PolarHBondContact O-NE 3.17Å; P88-R94 PolarHBondContact O-NH2 3.19Å; K89-R94 PolarHBondContact O-NH2 3.49Å; N90-R94 WeakPolarHBondContact O-CG 3.46Å; N90-R94 PolarHBondContact O-NE 3.01Å; N90-R94 VanDerWaalsContact O-NE 3.15Å; P91-R94 WeakPolarHBondContact O-CB 3.41Å; P91-R94 WeakPolarHBondContact O-CG 3.46Å; P91-R94 PolarHBondContact O-N 3.15Å; E92-R94 PolarHBondContact O-N 3.35Å |
| 95 | S | 74.3 | Confident | 78.3 | Confident | 100 Ų | 100 | 96.7 Ų | 96.7 | 70% | 0.699 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 145.6 | 168.1 | 47 | 0 | 0 | 0 | 0 | 111.4 | S97 | S95-S97 PolarHBondContact O-N 3.01Š|
| 96 | P | 76.9 | Confident | 78.5 | Confident | 125 Ų | 125 | 98.3 Ų | 98.3 | 81% | 0.812 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 137.4 | 172.3 | -28.8 | 36.1 | 0 | 0 | 0 | 111.6 | ||
| 97 | S | 76.5 | Confident | 79 | Confident | 75 Ų | 75 | 102.4 Ų | 102.4 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -85 | 131 | 178.9 | -71.2 | 0 | 0 | 0 | 0 | 110.6 | S95 R115 | S95-S97 PolarHBondContact O-N 3.01Å; S97-R115 VanDerWaalsContact CB-NH2 3.32Å; S97-R115 PolarHBondContact OG-NH2 3.11Å |
| 98 | P | 81.5 | Confident | 79.4 | Confident | 76 Ų | 76 | 106.9 Ų | 106.9 | 49% | 0.494 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 160.3 | 163.8 | -24.1 | 34.3 | 0 | 0 | 0 | 111.8 | ||
| 99 | E | 82.8 | Confident | 79.7 | Confident | 167 Ų | 167 | 108.9 Ų | 108.9 | 78% | 0.78 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 147.3 | -171 | -63.9 | -175.2 | 169.3 | 0 | 0 | 113.5 | I101 N110 | E99-I101 PolarHBondContact O-N 3.4Å; E99-N110 PolarHBondContact O-ND2 3.37Å |
| 100 | P | 83.8 | Confident | 80.1 | Confident | 64 Ų | 64 | 100.9 Ų | 100.9 | 42% | 0.416 | 55% | 0.553 | S | S | . | * | trans | -58.6 | 97 | 172.9 | -29.1 | 39.3 | 0 | 0 | 0 | 113.7 | Y102 R108 | P100-Y102 HydrophobicContact CB-CD2 4.25Å; P100-Y102 HydrophobicContact CB-CE2 3.51Å; P100-Y102 WeakPolarHBondContact O-CD2 3.4Å; P100-Y102 WeakPolarHBondContact O-CE2 3.1Å; P100-Y102 PolarHBondContact O-N 2.91Å; P100-R108 HydrophobicContact CB-CG 4.06Å | ||
| 101 | I | 85 | Confident | 80.7 | Confident | 108 Ų | 108 | 98 Ų | 98 | 55% | 0.554 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 122.9 | 164.7 | -54.7 | 174.6 | 0 | 0 | 0 | 108.2 | E99 L109 N110 | E99-I101 PolarHBondContact O-N 3.4Å; I101-L109 PolarHBondContact O-N 3.4Å; I101-N110 HydrophobicContact CB-CB 4Å; I101-N110 HydrophobicContact CG1-CB 4.21Å; I101-N110 PolarHBondContact O-N 3.47Å |
| 102 | Y | 85.1 | Confident | 81.3 | Confident | 145 Ų | 145 | 97.4 Ų | 97.4 | 57% | 0.569 | 53% | 0.525 | S | S | * | . | B | Isolated β-bridge | trans | -100.2 | 145.7 | 174.9 | -66 | -91.6 | 0 | 0 | 0 | 110.7 | P100 G106 K107 R108 | P100-Y102 HydrophobicContact CB-CD2 4.25Å; P100-Y102 HydrophobicContact CB-CE2 3.51Å; P100-Y102 WeakPolarHBondContact O-CD2 3.4Å; P100-Y102 WeakPolarHBondContact O-CE2 3.1Å; P100-Y102 PolarHBondContact O-N 2.91Å; Y102-G106 WeakPolarHBondContact CD1-O 3.45Å; Y102-K107 WeakPolarHBondContact CA-O 3.46Å; Y102-R108 HydrophobicContact CD1-CB 4.07Å; Y102-R108 HydrophobicContact CE1-CB 3.89Å |
| 103 | S | 84 | Confident | 81.9 | Confident | 37 Ų | 37 | 92.2 Ų | 92.2 | 26% | 0.259 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 164.4 | 167.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | D105 G106 K107 | S103-D105 WeakPolarHBondContact CB-OD1 3.2Å; S103-D105 PolarHBondContact O-N 3.31Å; S103-D105 PolarHBondContact OG-OD1 2.9Å; S103-G106 PolarHBondContact O-N 3.47Å; S103-K107 WeakPolarHBondContact CB-O 3.38Å; S103-K107 PolarHBondContact N-O 3.19Å |
| 104 | S | 85.7 | Confident | 82.5 | Confident | 135 Ų | 135 | 93 Ų | 93 | 94% | 0.944 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.9 | 177.1 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | G106 | S104-G106 VanDerWaalsContact C-N 3.28Š|
| 105 | D | 83.9 | Confident | 82.8 | Confident | 86 Ų | 86 | 92.3 Ų | 92.3 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 18.1 | 171 | 74.2 | -34.7 | 0 | 0 | 0 | 113.5 | S103 K107 | S103-D105 WeakPolarHBondContact CB-OD1 3.2Å; S103-D105 PolarHBondContact O-N 3.31Å; S103-D105 PolarHBondContact OG-OD1 2.9Å; D105-K107 PolarHBondContact O-N 3.2Å; D105-K107 VanDerWaalsContact O-N 3.15Å; D105-K107 WeakPolarHBondContact OD2-CD 3.32Å; D105-K107 WeakPolarHBondContact OD2-CG 3.24Å; D105-K107 IonicContact OD2-NZ 3.49Å; D105-K107 PolarHBondContact OD2-NZ 2.98Å |
| 106 | G | 82.2 | Confident | 83.5 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | S | Bend | trans | 72.5 | 1.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y102 S103 S104 | Y102-G106 WeakPolarHBondContact CD1-O 3.45Å; S103-G106 PolarHBondContact O-N 3.47Å; S104-G106 VanDerWaalsContact C-N 3.28Å |
| 107 | K | 84.3 | Confident | 84.1 | Confident | 135 Ų | 135 | 88.7 Ų | 88.7 | 59% | 0.587 | 45% | 0.453 | S | S | * | . | trans | -81.5 | 131.7 | -180 | -64.1 | -168.9 | -176 | 80.1 | 0 | 111.4 | Y102 S103 D105 L109 | Y102-K107 WeakPolarHBondContact CA-O 3.46Å; S103-K107 WeakPolarHBondContact CB-O 3.38Å; S103-K107 PolarHBondContact N-O 3.19Å; D105-K107 PolarHBondContact O-N 3.2Å; D105-K107 VanDerWaalsContact O-N 3.15Å; D105-K107 WeakPolarHBondContact OD2-CD 3.32Å; D105-K107 WeakPolarHBondContact OD2-CG 3.24Å; D105-K107 IonicContact OD2-NZ 3.49Å; D105-K107 PolarHBondContact OD2-NZ 2.98Å; K107-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact O-N 3.17Å | ||
| 108 | R | 84.5 | Confident | 84.7 | Confident | 134 Ų | 134 | 89.7 Ų | 89.7 | 51% | 0.506 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 105.8 | 174.8 | -176.7 | 178.9 | 67.4 | 177.7 | -1 | 110.7 | P100 Y102 | P100-R108 HydrophobicContact CB-CG 4.06Å; Y102-R108 HydrophobicContact CD1-CB 4.07Å; Y102-R108 HydrophobicContact CE1-CB 3.89Å |
| 109 | L | 80.2 | Confident | 85.1 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | trans | -72.9 | -41.4 | 178.1 | -61.5 | 178.5 | 0 | 0 | 0 | 111.9 | I101 K107 T111 | I101-L109 PolarHBondContact O-N 3.4Å; K107-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact O-N 3.17Å; L109-T111 PolarHBondContact O-N 3.45Å | ||
| 110 | N | 82.8 | Confident | 85.5 | Confident | 25 Ų | 25 | 85 Ų | 85 | 13% | 0.134 | 42% | 0.419 | C | S | . | . | trans | -80.2 | 57.4 | -172.8 | -166.8 | 8.9 | 0 | 0 | 0 | 113.4 | E99 I101 R115 | E99-N110 PolarHBondContact O-ND2 3.37Å; I101-N110 HydrophobicContact CB-CB 4Å; I101-N110 HydrophobicContact CG1-CB 4.21Å; I101-N110 PolarHBondContact O-N 3.47Å; N110-R115 PolarHBondContact O-NH1 3.1Å; N110-R115 WeakPolarHBondContact OD1-CD 3.21Å; N110-R115 VanDerWaalsContact OD1-CG 3.27Å; N110-R115 WeakPolarHBondContact OD1-CG 3.37Å; N110-R115 PolarHBondContact OD1-NH1 2.92Å | ||
| 111 | T | 84.8 | Confident | 85.8 | Confident | 37 Ų | 37 | 85.1 Ų | 85.1 | 23% | 0.227 | 41% | 0.413 | C | S | . | . | trans | -75.1 | 154.2 | 170.5 | 66.4 | 0 | 0 | 0 | 0 | 111 | L109 E113 Y114 R115 | L109-T111 PolarHBondContact O-N 3.45Å; T111-E113 PolarHBondContact O-N 3.4Å; T111-Y114 PolarHBondContact O-N 2.92Å; T111-Y114 WeakPolarHBondContact OG1-CB 3.46Å; T111-Y114 PolarHBondContact OG1-N 3.46Å; T111-R115 PolarHBondContact O-N 3.22Å | ||
| 112 | R | 84.1 | Confident | 86 | Confident | 80 Ų | 80 | 83.1 Ų | 83.1 | 30% | 0.302 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 174.7 | 170.2 | -175.3 | 59 | -138.3 | -7.7 | 110.4 | I87 R115 T116 | I87-R112 HydrophobicContact CD1-CG 4.26Å; I87-R112 HydrophobicContact CG2-CG 4.45Å; R112-R115 PolarHBondContact O-N 3.42Å; R112-T116 PolarHBondContact O-N 3.27Å; R112-T116 PolarHBondContact O-OG1 2.98Å; R112-T116 VanDerWaalsContact O-OG1 3.09Å |
| 113 | E | 85.4 | Confident | 86.4 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 179.3 | -63.8 | 61.8 | -137.6 | 0 | 0 | 110.7 | L85 I87 T111 R117 | L85-E113 HydrophobicContact CD1-CB 4.36Å; L85-E113 WeakPolarHBondContact CD1-O 3.49Å; I87-E113 HydrophobicContact CD1-CG 4.26Å; T111-E113 PolarHBondContact O-N 3.4Å; E113-R117 VanDerWaalsContact O-CB 3.23Å; E113-R117 WeakPolarHBondContact O-CB 3.36Å; E113-R117 PolarHBondContact O-N 3.3Å |
| 114 | Y | 85.9 | Confident | 86.8 | Confident | 124 Ų | 124 | 78.5 Ų | 78.5 | 49% | 0.486 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 171.9 | -178.7 | -101.7 | 0 | 0 | 0 | 112 | T111 T116 R117 K118 | T111-Y114 PolarHBondContact O-N 2.92Å; T111-Y114 WeakPolarHBondContact OG1-CB 3.46Å; T111-Y114 PolarHBondContact OG1-N 3.46Å; Y114-T116 PolarHBondContact O-N 3.24Å; Y114-R117 PolarHBondContact O-N 3.02Å; Y114-K118 VanDerWaalsContact O-CB 3.31Å; Y114-K118 WeakPolarHBondContact O-CB 3.45Å; Y114-K118 PolarHBondContact O-N 2.89Å |
| 115 | R | 86.1 | Confident | 87.1 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 25% | 0.249 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 177.2 | -71.4 | -167.3 | -58.6 | -84.9 | 3.4 | 112.8 | S97 N110 T111 R112 K119 | S97-R115 VanDerWaalsContact CB-NH2 3.32Å; S97-R115 PolarHBondContact OG-NH2 3.11Å; N110-R115 PolarHBondContact O-NH1 3.1Å; N110-R115 WeakPolarHBondContact OD1-CD 3.21Å; N110-R115 VanDerWaalsContact OD1-CG 3.27Å; N110-R115 WeakPolarHBondContact OD1-CG 3.37Å; N110-R115 PolarHBondContact OD1-NH1 2.92Å; T111-R115 PolarHBondContact O-N 3.22Å; R112-R115 PolarHBondContact O-N 3.42Å; R115-K119 WeakPolarHBondContact O-CB 3.47Å; R115-K119 PolarHBondContact O-N 2.71Å |
| 116 | T | 88.5 | Confident | 87.5 | Confident | 41 Ų | 41 | 72.4 Ų | 72.4 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71 | -37.8 | -179.8 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | L85 I87 R112 Y114 K119 L120 | L85-T116 HydrophobicContact CB-CG2 3.87Å; L85-T116 WeakPolarHBondContact O-CG2 3.44Å; I87-T116 HydrophobicContact CD1-CG2 4.49Å; I87-T116 HydrophobicContact CG1-CG2 3.98Å; R112-T116 PolarHBondContact O-N 3.27Å; R112-T116 PolarHBondContact O-OG1 2.98Å; R112-T116 VanDerWaalsContact O-OG1 3.09Å; Y114-T116 PolarHBondContact O-N 3.24Å; T116-K119 PolarHBondContact O-N 3.17Å; T116-L120 WeakPolarHBondContact O-CG 3.31Å; T116-L120 PolarHBondContact O-N 2.99Å |
| 117 | R | 89.2 | Confident | 88 | Confident | 107 Ų | 107 | 71 Ų | 71 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -51.8 | 170.9 | 179.9 | -176.3 | -65.1 | -117.4 | -3 | 111.4 | L80 L85 E113 Y114 K119 L120 E121 | L80-R117 HydrophobicContact CD2-CG 3.8Å; L85-R117 HydrophobicContact CD1-CB 4.32Å; L85-R117 HydrophobicContact CD2-CB 4.07Å; E113-R117 VanDerWaalsContact O-CB 3.23Å; E113-R117 WeakPolarHBondContact O-CB 3.36Å; E113-R117 PolarHBondContact O-N 3.3Å; Y114-R117 PolarHBondContact O-N 3.02Å; R117-K119 VanDerWaalsContact C-N 3.31Å; R117-K119 PolarHBondContact O-N 3.29Å; R117-L120 CarbonylContact O-C 3.54Å; R117-L120 WeakPolarHBondContact O-CA 3.31Å; R117-L120 PolarHBondContact O-N 2.79Å; R117-E121 WeakPolarHBondContact CD-OE1 3.36Å; R117-E121 VanDerWaalsContact CG-OE1 3.28Å; R117-E121 WeakPolarHBondContact CG-OE1 3.28Å; R117-E121 PolarHBondContact O-N 3.03Å |
| 118 | K | 89 | Confident | 88.4 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 178.6 | -179.3 | 178.4 | 174.4 | -177.3 | 0 | 110.8 | Y114 L120 E121 D122 | Y114-K118 VanDerWaalsContact O-CB 3.31Å; Y114-K118 WeakPolarHBondContact O-CB 3.45Å; Y114-K118 PolarHBondContact O-N 2.89Å; K118-L120 VanDerWaalsContact C-N 3.33Å; K118-L120 PolarHBondContact O-N 3.16Å; K118-E121 CarbonylContact O-C 3.58Å; K118-E121 WeakPolarHBondContact O-CA 3.35Å; K118-E121 WeakPolarHBondContact O-CB 3.35Å; K118-E121 PolarHBondContact O-N 3.41Å; K118-D122 WeakPolarHBondContact CE-OD2 3.42Å; K118-D122 WeakPolarHBondContact CG-OD2 3.47Å; K118-D122 PolarHBondContact O-N 2.98Å |
| 119 | K | 89.9 | Confident | 88.6 | Confident | 127 Ų | 127 | 63.4 Ų | 63.4 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57.6 | -44.4 | 175.1 | 178.9 | 169.9 | 176.2 | 173.6 | 0 | 112 | R115 T116 R117 E121 D122 D123 | R115-K119 WeakPolarHBondContact O-CB 3.47Å; R115-K119 PolarHBondContact O-N 2.71Å; T116-K119 PolarHBondContact O-N 3.17Å; R117-K119 VanDerWaalsContact C-N 3.31Å; R117-K119 PolarHBondContact O-N 3.29Å; K119-E121 PolarHBondContact O-N 3.34Å; K119-D122 PolarHBondContact O-N 3.35Å; K119-D123 WeakPolarHBondContact CE-OD2 3.19Å; K119-D123 WeakPolarHBondContact CG-OD2 3.34Å; K119-D123 IonicContact NZ-OD2 3.07Å; K119-D123 VanDerWaalsContact O-CB 3.24Å; K119-D123 WeakPolarHBondContact O-CB 3.43Å; K119-D123 VanDerWaalsContact O-CG 3.28Å; K119-D123 PolarHBondContact O-N 2.91Å |
| 120 | L | 90.9 | Very high | 89.2 | Confident | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.8 | -21.7 | 176 | -69.9 | 172.6 | 0 | 0 | 0 | 113.4 | M76 R79 L80 L85 T116 R117 K118 R124 | M76-L120 HydrophobicContact CE-CB 4.17Å; M76-L120 HydrophobicContact CE-CD2 3.62Å; M76-L120 WeakPolarHBondContact CE-O 3.23Å; R79-L120 HydrophobicContact CB-CD1 4.24Å; L80-L120 HydrophobicContact CD2-CB 3.81Å; L80-L120 HydrophobicContact CG-CB 4.21Å; L85-L120 HydrophobicContact CD2-CD1 3.88Å; T116-L120 WeakPolarHBondContact O-CG 3.31Å; T116-L120 PolarHBondContact O-N 2.99Å; R117-L120 CarbonylContact O-C 3.54Å; R117-L120 WeakPolarHBondContact O-CA 3.31Å; R117-L120 PolarHBondContact O-N 2.79Å; K118-L120 VanDerWaalsContact C-N 3.33Å; K118-L120 PolarHBondContact O-N 3.16Å; L120-R124 WeakPolarHBondContact O-CB 3.45Å; L120-R124 PolarHBondContact O-N 2.87Å |
| 121 | E | 90.1 | Very high | 89.6 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -80.4 | -42 | 172.3 | -72.3 | 165.1 | -178.7 | 0 | 0 | 111.8 | L80 R117 K118 K119 H125 | L80-E121 HydrophobicContact CD1-CG 3.85Å; L80-E121 HydrophobicContact CD2-CG 3.82Å; R117-E121 WeakPolarHBondContact CD-OE1 3.36Å; R117-E121 VanDerWaalsContact CG-OE1 3.28Å; R117-E121 WeakPolarHBondContact CG-OE1 3.28Å; R117-E121 PolarHBondContact O-N 3.03Å; K118-E121 CarbonylContact O-C 3.58Å; K118-E121 WeakPolarHBondContact O-CA 3.35Å; K118-E121 WeakPolarHBondContact O-CB 3.35Å; K118-E121 PolarHBondContact O-N 3.41Å; K119-E121 PolarHBondContact O-N 3.34Å; E121-H125 WeakPolarHBondContact O-CB 3.48Å; E121-H125 PolarHBondContact O-N 3.47Å |
| 122 | D | 90.5 | Very high | 89.8 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 35% | 0.353 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.1 | -49.8 | 176.5 | -67 | -26 | 0 | 0 | 0 | 111.5 | K118 K119 R124 H125 A126 | K118-D122 WeakPolarHBondContact CE-OD2 3.42Å; K118-D122 WeakPolarHBondContact CG-OD2 3.47Å; K118-D122 PolarHBondContact O-N 2.98Å; K119-D122 PolarHBondContact O-N 3.35Å; D122-R124 VanDerWaalsContact C-N 3.31Å; D122-R124 PolarHBondContact O-N 2.86Å; D122-H125 WeakPolarHBondContact O-CB 3.32Å; D122-H125 PolarHBondContact O-N 2.99Å; D122-H125 VanDerWaalsContact O-N 3.11Å; D122-A126 PolarHBondContact O-N 3.46Å |
| 123 | D | 92.1 | Very high | 90.1 | Very high | 69 Ų | 69 | 68.8 Ų | 68.8 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 176.2 | -73.7 | -12.3 | 0 | 0 | 0 | 110.5 | M76 K119 A126 L127 | M76-D123 HydrophobicContact CE-CB 3.32Å; M76-D123 HydrophobicContact SD-CB 4.25Å; K119-D123 WeakPolarHBondContact CE-OD2 3.19Å; K119-D123 WeakPolarHBondContact CG-OD2 3.34Å; K119-D123 IonicContact NZ-OD2 3.07Å; K119-D123 VanDerWaalsContact O-CB 3.24Å; K119-D123 WeakPolarHBondContact O-CB 3.43Å; K119-D123 VanDerWaalsContact O-CG 3.28Å; K119-D123 PolarHBondContact O-N 2.91Å; D123-A126 PolarHBondContact O-N 3.47Å; D123-L127 PolarHBondContact O-N 2.83Å |
| 124 | R | 92.4 | Very high | 90.4 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 6% | 0.06 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 175 | 177.1 | -176.3 | 67.3 | 152 | -1.4 | 111.1 | I73 M76 S77 L120 D122 L127 V128 D143 | I73-R124 HydrophobicContact CG2-CG 4.41Å; M76-R124 HydrophobicContact CB-CB 4.26Å; M76-R124 HydrophobicContact CE-CB 4.17Å; M76-R124 HydrophobicContact SD-CB 4.22Å; S77-R124 WeakPolarHBondContact OG-CD 3.13Å; L120-R124 WeakPolarHBondContact O-CB 3.45Å; L120-R124 PolarHBondContact O-N 2.87Å; D122-R124 VanDerWaalsContact C-N 3.31Å; D122-R124 PolarHBondContact O-N 2.86Å; R124-L127 PolarHBondContact O-N 3.47Å; R124-V128 WeakPolarHBondContact O-CG2 3.27Å; R124-V128 PolarHBondContact O-N 3.02Å; R124-D143 PolarHBondContact NH1-O 3.03Å; R124-D143 PolarHBondContact NH2-O 3.31Å; R124-D143 VanDerWaalsContact NH2-O 3.16Å |
| 125 | H | 91.8 | Very high | 90.4 | Very high | 36 Ų | 36 | 64.6 Ų | 64.6 | 17% | 0.167 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 177.9 | 172.6 | 47.3 | 0 | 0 | 0 | 112 | E121 D122 L127 V128 Q129 Y144 P147 | E121-H125 WeakPolarHBondContact O-CB 3.48Å; E121-H125 PolarHBondContact O-N 3.47Å; D122-H125 WeakPolarHBondContact O-CB 3.32Å; D122-H125 PolarHBondContact O-N 2.99Å; D122-H125 VanDerWaalsContact O-N 3.11Å; H125-L127 VanDerWaalsContact C-N 3.34Å; H125-L127 PolarHBondContact O-N 2.98Å; H125-V128 PolarHBondContact O-N 2.8Å; H125-Q129 PolarHBondContact CE1-NE2 3.48Å; H125-Q129 PolarHBondContact NE2-NE2 2.93Å; H125-Q129 WeakPolarHBondContact O-CG 3.41Å; H125-Q129 PolarHBondContact O-N 2.91Å; H125-Y144 HydrophobicContact CB-CE2 4.2Å; H125-Y144 PolarHBondContact CE1-OH 2.83Å; H125-Y144 AromaticContact ND1-CE2 3.83Å; H125-Y144 AromaticContact ND1-CZ 3.77Å; H125-Y144 PolarHBondContact ND1-OH 2.79Å; H125-P147 HydrophobicContact CB-CG 4.05Å; H125-P147 VanDerWaalsContact CG-CD 3.43Å |
| 126 | A | 92.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 67.4 Ų | 67.4 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | D122 D123 Q129 Q130 | D122-A126 PolarHBondContact O-N 3.46Å; D123-A126 PolarHBondContact O-N 3.47Å; A126-Q129 PolarHBondContact O-N 3.16Å; A126-Q130 PolarHBondContact O-N 3.21Å |
| 127 | L | 92.8 | Very high | 90.6 | Very high | 23 Ų | 23 | 72.8 Ų | 72.8 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.2 | -68.4 | 174.4 | 0 | 0 | 0 | 112.7 | I69 Q72 I73 M76 D123 R124 H125 Q130 L131 | I69-L127 HydrophobicContact CG2-CB 4.02Å; I69-L127 HydrophobicContact CG2-CD2 4.16Å; I69-L127 WeakPolarHBondContact CG2-O 3.42Å; Q72-L127 HydrophobicContact CB-CD1 3.63Å; I73-L127 HydrophobicContact CD1-CB 4.09Å; I73-L127 HydrophobicContact CG1-CB 3.68Å; I73-L127 HydrophobicContact CG1-CD1 4.41Å; M76-L127 HydrophobicContact SD-CD1 3.79Å; D123-L127 PolarHBondContact O-N 2.83Å; R124-L127 PolarHBondContact O-N 3.47Å; H125-L127 VanDerWaalsContact C-N 3.34Å; H125-L127 PolarHBondContact O-N 2.98Å; L127-Q130 PolarHBondContact O-N 3.43Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 PolarHBondContact O-N 2.85Å |
| 128 | V | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | I73 R124 H125 L131 M132 Y138 P140 Y144 | I73-V128 HydrophobicContact CD1-CG2 3.78Å; I73-V128 HydrophobicContact CG1-CG2 4.07Å; I73-V128 HydrophobicContact CG2-CG2 4.12Å; R124-V128 WeakPolarHBondContact O-CG2 3.27Å; R124-V128 PolarHBondContact O-N 3.02Å; H125-V128 PolarHBondContact O-N 2.8Å; V128-L131 PolarHBondContact O-N 2.67Å; V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 HydrophobicContact CG1-SD 3.96Å; V128-M132 VanDerWaalsContact O-CG 3.31Å; V128-M132 WeakPolarHBondContact O-CG 3.5Å; V128-M132 PolarHBondContact O-N 2.97Å; V128-Y138 HydrophobicContact CG1-CE1 4.34Å; V128-P140 HydrophobicContact CG1-CB 4.12Å; V128-P140 HydrophobicContact CG1-CG 3.85Å; V128-Y144 HydrophobicContact CB-CE2 4Å; V128-Y144 HydrophobicContact CG1-CD1 4.27Å; V128-Y144 HydrophobicContact CG1-CE1 3.69Å; V128-Y144 HydrophobicContact CG1-CE2 4.01Å; V128-Y144 HydrophobicContact CG2-CD2 4.1Å; V128-Y144 HydrophobicContact CG2-CE2 4.09Å; V128-Y144 HydrophobicContact CG2-CG 4.49Å |
| 129 | Q | 90.1 | Very high | 90.5 | Very high | 110 Ų | 110 | 73 Ų | 73 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.2 | -51.7 | 173.6 | -70.6 | -173 | 38.9 | 0 | 0 | 111 | H125 A126 L131 M132 E133 | H125-Q129 PolarHBondContact CE1-NE2 3.48Å; H125-Q129 PolarHBondContact NE2-NE2 2.93Å; H125-Q129 WeakPolarHBondContact O-CG 3.41Å; H125-Q129 PolarHBondContact O-N 2.91Å; A126-Q129 PolarHBondContact O-N 3.16Å; Q129-L131 PolarHBondContact O-N 2.94Å; Q129-M132 PolarHBondContact O-N 3.08Å; Q129-E133 PolarHBondContact O-N 3.44Å |
| 130 | Q | 91.5 | Very high | 90.3 | Very high | 87 Ų | 87 | 69.1 Ų | 69.1 | 41% | 0.407 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.1 | -36.4 | 179.1 | -170.2 | -177.5 | 8.4 | 0 | 0 | 112.2 | I69 A126 L127 I134 | I69-Q130 HydrophobicContact CD1-CG 3.95Å; A126-Q130 PolarHBondContact O-N 3.21Å; L127-Q130 PolarHBondContact O-N 3.43Å; Q130-I134 HydrophobicContact CG-CD1 4.08Å; Q130-I134 VanDerWaalsContact O-CG1 3.3Å; Q130-I134 WeakPolarHBondContact O-CG1 3.39Å; Q130-I134 PolarHBondContact O-N 3.11Å; Q130-I134 VanDerWaalsContact O-N 3.16Å |
| 131 | L | 92 | Very high | 90 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72.6 | -36.9 | 178.4 | -165.9 | 51.4 | 0 | 0 | 0 | 112.8 | V66 I69 Q70 I73 L127 V128 Q129 E133 I134 N135 Y138 | V66-L131 HydrophobicContact CB-CD1 4.05Å; V66-L131 HydrophobicContact CG1-CD1 3.98Å; V66-L131 HydrophobicContact CG2-CD1 3.97Å; I69-L131 HydrophobicContact CB-CD1 4.33Å; I69-L131 HydrophobicContact CG2-CB 3.83Å; I69-L131 HydrophobicContact CG2-CD1 4.27Å; I69-L131 HydrophobicContact CG2-CD2 4.13Å; I69-L131 HydrophobicContact CG2-CG 4.31Å; Q70-L131 HydrophobicContact CB-CD2 4.25Å; I73-L131 HydrophobicContact CD1-CB 4.25Å; I73-L131 HydrophobicContact CD1-CD2 3.59Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 PolarHBondContact O-N 2.85Å; V128-L131 PolarHBondContact O-N 2.67Å; Q129-L131 PolarHBondContact O-N 2.94Å; L131-E133 VanDerWaalsContact C-N 3.35Å; L131-I134 PolarHBondContact O-N 3.25Å; L131-N135 PolarHBondContact O-N 3.3Å; L131-Y138 HydrophobicContact CB-CD1 4.22Å; L131-Y138 HydrophobicContact CB-CE1 4.4Å; L131-Y138 HydrophobicContact CD2-CD1 3.96Å; L131-Y138 HydrophobicContact CD2-CD2 3.6Å; L131-Y138 HydrophobicContact CD2-CE1 3.78Å; L131-Y138 HydrophobicContact CD2-CE2 3.42Å; L131-Y138 VanDerWaalsContact CD2-CE2 3.42Å; L131-Y138 HydrophobicContact CD2-CG 3.87Å; L131-Y138 HydrophobicContact CG-CD1 3.91Å; L131-Y138 HydrophobicContact CG-CD2 3.97Å; L131-Y138 HydrophobicContact CG-CE1 4.19Å; L131-Y138 HydrophobicContact CG-CE2 4.26Å; L131-Y138 HydrophobicContact CG-CG 3.78Å |
| 132 | M | 89.9 | Confident | 89.6 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 47% | 0.468 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.6 | -30.7 | 174.3 | -70.7 | 177.6 | 66.1 | 0 | 0 | 112.7 | V128 Q129 N135 Y138 P140 | V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 HydrophobicContact CG1-SD 3.96Å; V128-M132 VanDerWaalsContact O-CG 3.31Å; V128-M132 WeakPolarHBondContact O-CG 3.5Å; V128-M132 PolarHBondContact O-N 2.97Å; Q129-M132 PolarHBondContact O-N 3.08Å; M132-N135 CarbonylContact O-C 3.58Å; M132-Y138 HydrophobicContact CG-CD1 4Å; M132-P140 HydrophobicContact SD-CG 3.97Å |
| 133 | E | 89.9 | Confident | 89.3 | Confident | 168 Ų | 168 | 72.6 Ų | 72.6 | 79% | 0.785 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.5 | -42.4 | 173.1 | -174.9 | -177.6 | -169 | 0 | 0 | 111.8 | Q129 L131 | Q129-E133 PolarHBondContact O-N 3.44Å; L131-E133 VanDerWaalsContact C-N 3.35Å |
| 134 | I | 90.3 | Very high | 89 | Confident | 60 Ų | 60 | 71 Ų | 71 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -79 | -33.4 | -179.5 | -61.6 | 166.7 | 0 | 0 | 0 | 111.9 | V66 I69 Q130 L131 | V66-I134 HydrophobicContact CG2-CB 4.4Å; V66-I134 HydrophobicContact CG2-CG2 3.59Å; I69-I134 HydrophobicContact CD1-CD1 3.99Å; Q130-I134 HydrophobicContact CG-CD1 4.08Å; Q130-I134 VanDerWaalsContact O-CG1 3.3Å; Q130-I134 WeakPolarHBondContact O-CG1 3.39Å; Q130-I134 PolarHBondContact O-N 3.11Å; Q130-I134 VanDerWaalsContact O-N 3.16Å; L131-I134 PolarHBondContact O-N 3.25Å |
| 135 | N | 87.8 | Confident | 88.5 | Confident | 49 Ų | 49 | 78.2 Ų | 78.2 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | trans | -136.5 | 102.8 | -179 | -177.6 | 5.5 | 0 | 0 | 0 | 112.1 | V66 L131 M132 E137 Y138 | V66-N135 HydrophobicContact CG2-CB 4.27Å; L131-N135 PolarHBondContact O-N 3.3Å; M132-N135 CarbonylContact O-C 3.58Å; N135-E137 PolarHBondContact O-N 3.17Å; N135-E137 WeakPolarHBondContact OD1-CB 3.23Å; N135-E137 PolarHBondContact OD1-N 2.85Å; N135-Y138 VanDerWaalsContact O-CB 3.27Å; N135-Y138 WeakPolarHBondContact O-CB 3.3Å; N135-Y138 PolarHBondContact O-N 2.89Å; N135-Y138 VanDerWaalsContact O-N 3.11Å | ||
| 136 | P | 88.4 | Confident | 87.9 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 81% | 0.805 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11 | 179.2 | 30.2 | -35.9 | 0 | 0 | 0 | 114.2 | Y138 | P136-Y138 VanDerWaalsContact C-N 3.31Š|
| 137 | E | 89.1 | Confident | 87.1 | Confident | 155 Ų | 155 | 78.6 Ų | 78.6 | 72% | 0.724 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.3 | 172.1 | -163.6 | 175.6 | -174.1 | 0 | 0 | 112.3 | N135 K139 | N135-E137 PolarHBondContact O-N 3.17Å; N135-E137 WeakPolarHBondContact OD1-CB 3.23Å; N135-E137 PolarHBondContact OD1-N 2.85Å; E137-K139 PolarHBondContact O-N 3.45Å |
| 138 | Y | 88.2 | Confident | 85.9 | Confident | 37 Ų | 37 | 83.7 Ų | 83.7 | 15% | 0.145 | 43% | 0.433 | C | S | . | . | trans | -62 | 126.2 | -178.1 | 180 | -108.6 | 0 | 0 | 0 | 112.4 | V128 L131 M132 N135 P136 P140 | V128-Y138 HydrophobicContact CG1-CE1 4.34Å; L131-Y138 HydrophobicContact CB-CD1 4.22Å; L131-Y138 HydrophobicContact CB-CE1 4.4Å; L131-Y138 HydrophobicContact CD2-CD1 3.96Å; L131-Y138 HydrophobicContact CD2-CD2 3.6Å; L131-Y138 HydrophobicContact CD2-CE1 3.78Å; L131-Y138 HydrophobicContact CD2-CE2 3.42Å; L131-Y138 VanDerWaalsContact CD2-CE2 3.42Å; L131-Y138 HydrophobicContact CD2-CG 3.87Å; L131-Y138 HydrophobicContact CG-CD1 3.91Å; L131-Y138 HydrophobicContact CG-CD2 3.97Å; L131-Y138 HydrophobicContact CG-CE1 4.19Å; L131-Y138 HydrophobicContact CG-CE2 4.26Å; L131-Y138 HydrophobicContact CG-CG 3.78Å; M132-Y138 HydrophobicContact CG-CD1 4Å; N135-Y138 VanDerWaalsContact O-CB 3.27Å; N135-Y138 WeakPolarHBondContact O-CB 3.3Å; N135-Y138 PolarHBondContact O-N 2.89Å; N135-Y138 VanDerWaalsContact O-N 3.11Å; P136-Y138 VanDerWaalsContact C-N 3.31Å; Y138-P140 HydrophobicContact CD1-CG 4.21Å; Y138-P140 HydrophobicContact CE1-CB 4.21Å; Y138-P140 HydrophobicContact CE1-CG 3.97Å | ||
| 139 | K | 87.8 | Confident | 84.9 | Confident | 172 Ų | 172 | 89.9 Ų | 89.9 | 75% | 0.748 | 47% | 0.466 | S | S | * | . | trans | -105.4 | 110.5 | 176.4 | -69.6 | 167.5 | -172 | 165.3 | 0 | 108.9 | E137 | E137-K139 PolarHBondContact O-N 3.45Š| ||
| 140 | P | 86.9 | Confident | 84.4 | Confident | 44 Ų | 44 | 89.5 Ų | 89.5 | 29% | 0.286 | 46% | 0.46 | S | S | . | . | trans | -60 | 153.8 | 178.5 | -25.8 | 35.2 | 0 | 0 | 0 | 113.1 | V128 M132 Y138 Y144 | V128-P140 HydrophobicContact CG1-CB 4.12Å; V128-P140 HydrophobicContact CG1-CG 3.85Å; M132-P140 HydrophobicContact SD-CG 3.97Å; Y138-P140 HydrophobicContact CD1-CG 4.21Å; Y138-P140 HydrophobicContact CE1-CB 4.21Å; Y138-P140 HydrophobicContact CE1-CG 3.97Å; P140-Y144 HydrophobicContact CB-CD1 3.43Å; P140-Y144 VanDerWaalsContact CB-CD1 3.43Å; P140-Y144 HydrophobicContact CB-CE1 4Å; P140-Y144 HydrophobicContact CB-CG 4.1Å; P140-Y144 HydrophobicContact CG-CD1 4.14Å; P140-Y144 HydrophobicContact CG-CE1 4.22Å | ||
| 141 | P | 83.1 | Confident | 84.3 | Confident | 37 Ų | 37 | 89.1 Ų | 89.1 | 24% | 0.24 | 46% | 0.46 | C | S | . | . | trans | -61 | 152.8 | 179.7 | -22.9 | 34.2 | 0 | 0 | 0 | 112.9 | I73 D143 Y144 | I73-P141 HydrophobicContact CG2-CG 4.17Å; P141-D143 PolarHBondContact O-N 3.07Å; P141-D143 VanDerWaalsContact O-N 3.12Å; P141-Y144 VanDerWaalsContact O-CB 3.31Å; P141-Y144 WeakPolarHBondContact O-CB 3.38Å; P141-Y144 PolarHBondContact O-N 2.88Å | ||
| 142 | S | 82.6 | Confident | 84.3 | Confident | 110 Ų | 110 | 92.8 Ų | 92.8 | 77% | 0.769 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.8 | 178.3 | 50 | 0 | 0 | 0 | 0 | 114.3 | Y144 | S142-Y144 VanDerWaalsContact C-N 3.31Š|
| 143 | D | 83.5 | Confident | 84.5 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2.5 | 176.5 | -38.5 | -93.6 | 0 | 0 | 0 | 113.5 | K81 R124 P141 | K81-D143 WeakPolarHBondContact CE-OD1 3.22Å; K81-D143 WeakPolarHBondContact CE-OD2 3.5Å; K81-D143 VanDerWaalsContact NZ-CG 3.35Å; K81-D143 IonicContact NZ-OD1 3.05Å; K81-D143 IonicContact NZ-OD2 2.86Å; K81-D143 PolarHBondContact NZ-OD2 3.48Å; R124-D143 PolarHBondContact NH1-O 3.03Å; R124-D143 PolarHBondContact NH2-O 3.31Å; R124-D143 VanDerWaalsContact NH2-O 3.16Å; P141-D143 PolarHBondContact O-N 3.07Å; P141-D143 VanDerWaalsContact O-N 3.12Å |
| 144 | Y | 86.4 | Confident | 84.6 | Confident | 35 Ų | 35 | 86.9 Ų | 86.9 | 14% | 0.137 | 46% | 0.455 | C | S | . | . | trans | -88.4 | 117.5 | 168.4 | 170.7 | -101.7 | 0 | 0 | 0 | 109.3 | H125 V128 P140 P141 S142 A146 | H125-Y144 HydrophobicContact CB-CE2 4.2Å; H125-Y144 PolarHBondContact CE1-OH 2.83Å; H125-Y144 AromaticContact ND1-CE2 3.83Å; H125-Y144 AromaticContact ND1-CZ 3.77Å; H125-Y144 PolarHBondContact ND1-OH 2.79Å; V128-Y144 HydrophobicContact CB-CE2 4Å; V128-Y144 HydrophobicContact CG1-CD1 4.27Å; V128-Y144 HydrophobicContact CG1-CE1 3.69Å; V128-Y144 HydrophobicContact CG1-CE2 4.01Å; V128-Y144 HydrophobicContact CG2-CD2 4.1Å; V128-Y144 HydrophobicContact CG2-CE2 4.09Å; V128-Y144 HydrophobicContact CG2-CG 4.49Å; P140-Y144 HydrophobicContact CB-CD1 3.43Å; P140-Y144 VanDerWaalsContact CB-CD1 3.43Å; P140-Y144 HydrophobicContact CB-CE1 4Å; P140-Y144 HydrophobicContact CB-CG 4.1Å; P140-Y144 HydrophobicContact CG-CD1 4.14Å; P140-Y144 HydrophobicContact CG-CE1 4.22Å; P141-Y144 VanDerWaalsContact O-CB 3.31Å; P141-Y144 WeakPolarHBondContact O-CB 3.38Å; P141-Y144 PolarHBondContact O-N 2.88Å; S142-Y144 VanDerWaalsContact C-N 3.31Å; Y144-A146 HydrophobicContact CE1-CB 4.02Å | ||
| 145 | K | 82.5 | Confident | 84.9 | Confident | 169 Ų | 169 | 84.4 Ų | 84.4 | 74% | 0.735 | 44% | 0.443 | S | S | * | . | trans | -110.5 | 119.3 | 164.2 | -59.8 | -171.5 | -172.9 | -56.6 | 0 | 105.8 | P147 | K145-P147 WeakPolarHBondContact O-CD 3.26Š| ||
| 146 | A | 79.3 | Confident | 85.1 | Confident | 60 Ų | 60 | 88 Ų | 88 | 50% | 0.496 | 46% | 0.456 | S | S | . | . | trans | -57.9 | 126.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y144 Q148 | Y144-A146 HydrophobicContact CE1-CB 4.02Å; A146-Q148 PolarHBondContact O-N 3.04Å | ||
| 147 | P | 74.2 | Confident | 85.3 | Confident | 39 Ų | 39 | 82.4 Ų | 82.4 | 25% | 0.253 | 42% | 0.42 | S | S | . | . | trans | -51.5 | 115.3 | 172.4 | -30.3 | 38.1 | 0 | 0 | 0 | 110.4 | H125 K145 N149 | H125-P147 HydrophobicContact CB-CG 4.05Å; H125-P147 VanDerWaalsContact CG-CD 3.43Å; K145-P147 WeakPolarHBondContact O-CD 3.26Å; P147-N149 PolarHBondContact O-N 2.94Å | ||
| 148 | Q | 68.8 | Low | 85.3 | Confident | 131 Ų | 131 | 76.9 Ų | 76.9 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | trans | -79.8 | 54.5 | 179.7 | -170.8 | 72.1 | 110.2 | 0 | 0 | 109.6 | A146 R150 | A146-Q148 PolarHBondContact O-N 3.04Å; Q148-R150 HydrophobicContact CG-CG 4.19Å; Q148-R150 PolarHBondContact O-N 2.98Å; Q148-R150 VanDerWaalsContact OE1-NH2 3.11Å | ||
| 149 | N | 69.9 | Low | 85.2 | Confident | 130 Ų | 130 | 78.1 Ų | 78.1 | 70% | 0.695 | 40% | 0.404 | S | S | * | . | trans | -69.6 | 75.9 | 174.4 | -76.4 | 17.2 | 0 | 0 | 0 | 109 | P147 I151 | P147-N149 PolarHBondContact O-N 2.94Å; N149-I151 PolarHBondContact O-N 2.93Å | ||
| 150 | R | 80.6 | Confident | 85.1 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | trans | -73.3 | 124.3 | 167.7 | -65.7 | 175.3 | -178.7 | -88.8 | -10.6 | 107.5 | Q148 S223 A224 | Q148-R150 HydrophobicContact CG-CG 4.19Å; Q148-R150 PolarHBondContact O-N 2.98Å; Q148-R150 VanDerWaalsContact OE1-NH2 3.11Å; R150-S223 VanDerWaalsContact CB-OG 3.27Å; R150-S223 WeakPolarHBondContact CB-OG 3.29Å; R150-S223 WeakPolarHBondContact CD-OG 3.43Å; R150-A224 CarbonylContact C-O 3.19Å; R150-A224 VanDerWaalsContact CA-O 3.26Å; R150-A224 WeakPolarHBondContact CA-O 3.38Å | ||
| 151 | I | 88.6 | Confident | 85.2 | Confident | 78 Ų | 78 | 80.5 Ų | 80.5 | 40% | 0.4 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.8 | 168.9 | -63.5 | 160.7 | 0 | 0 | 0 | 106.3 | N149 S223 A224 A227 V230 | N149-I151 PolarHBondContact O-N 2.93Å; I151-S223 WeakPolarHBondContact O-CA 3.01Å; I151-A224 PolarHBondContact N-O 3.49Å; I151-A224 PolarHBondContact O-N 2.98Å; I151-A227 HydrophobicContact CD1-CB 3.96Å; I151-V230 HydrophobicContact CB-CG2 4.18Å; I151-V230 HydrophobicContact CG2-CG2 4Å |
| 152 | T | 91.8 | Very high | 85.3 | Confident | 78 Ų | 78 | 81.6 Ų | 81.6 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 135.8 | -173.8 | 53.3 | 0 | 0 | 0 | 0 | 111 | F221 I222 | T152-F221 HydrophobicContact CG2-CE1 3.98Å; T152-F221 HydrophobicContact CG2-CE2 4.35Å; T152-F221 HydrophobicContact CG2-CZ 3.53Å; T152-I222 VanDerWaalsContact CA-O 3.22Å; T152-I222 WeakPolarHBondContact CA-O 3.22Å |
| 153 | D | 94.4 | Very high | 85.5 | Confident | 66 Ų | 66 | 81.3 Ų | 81.3 | 35% | 0.353 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 160.8 | 179.7 | -169.6 | 20.5 | 0 | 0 | 0 | 111.1 | I222 V230 V234 | D153-I222 PolarHBondContact N-O 3.25Å; D153-I222 PolarHBondContact O-N 2.8Å; D153-V230 HydrophobicContact CB-CG1 3.52Å; D153-V234 VanDerWaalsContact OD2-CG2 3.23Å; D153-V234 WeakPolarHBondContact OD2-CG2 3.38Å |
| 154 | K | 93.6 | Very high | 85.6 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 31% | 0.313 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.7 | -179.3 | -68.6 | -167.8 | -177.7 | -168.8 | 0 | 110.6 | E216 F221 | K154-E216 IonicContact NZ-OE1 3.49Å; K154-E216 PolarHBondContact NZ-OE1 3.25Å; K154-E216 IonicContact NZ-OE2 2.93Å; K154-E216 PolarHBondContact NZ-OE2 3.18Å; K154-F221 HydrophobicContact CG-CD2 4.16Å |
| 155 | V | 94.6 | Very high | 85.6 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 6% | 0.055 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.9 | 169.4 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | H219 A220 I222 V234 I237 I241 | V155-H219 CarbonylContact O-C 3.52Å; V155-H219 VanDerWaalsContact O-CA 3.24Å; V155-H219 WeakPolarHBondContact O-CA 3.47Å; V155-H219 WeakPolarHBondContact O-CB 3.28Å; V155-A220 PolarHBondContact N-O 2.97Å; V155-A220 PolarHBondContact O-N 3.41Å; V155-I222 HydrophobicContact CG2-CD1 3.72Å; V155-V234 HydrophobicContact CG2-CB 4.25Å; V155-V234 HydrophobicContact CG2-CG1 3.97Å; V155-V234 HydrophobicContact CG2-CG2 3.93Å; V155-I237 HydrophobicContact CB-CG2 4.31Å; V155-I237 HydrophobicContact CG1-CG2 3.98Å; V155-I241 HydrophobicContact CG1-CD1 4.19Å |
| 156 | F | 93 | Very high | 85.9 | Confident | 124 Ų | 124 | 78.9 Ų | 78.9 | 54% | 0.544 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 143.9 | 174.9 | -63.9 | -78.1 | 0 | 0 | 0 | 111.2 | P217 H219 | F156-P217 HydrophobicContact CD1-CG 3.96Å; F156-P217 HydrophobicContact CE1-CG 3.94Å; F156-H219 HydrophobicContact CD1-CB 4.01Å; F156-H219 HydrophobicContact CE1-CB 4.46Å |
| 157 | I | 92 | Very high | 86.4 | Confident | 7 Ų | 7 | 76.2 Ų | 76.2 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | trans | -114.9 | 120.3 | -178.1 | -59.5 | 170.4 | 0 | 0 | 0 | 107.5 | Q159 F167 L171 I192 L218 A220 I241 | I157-Q159 PolarHBondContact O-N 3.21Å; I157-F167 HydrophobicContact CG2-CB 3.57Å; I157-F167 HydrophobicContact CG2-CD1 4.24Å; I157-F167 HydrophobicContact CG2-CD2 3.81Å; I157-F167 HydrophobicContact CG2-CG 3.62Å; I157-L171 HydrophobicContact CD1-CD1 3.59Å; I157-L171 HydrophobicContact CG1-CD1 4.49Å; I157-I192 HydrophobicContact CD1-CG2 4.48Å; I157-L218 HydrophobicContact CB-CB 4.37Å; I157-L218 HydrophobicContact CB-CD2 3.83Å; I157-L218 HydrophobicContact CB-CG 3.99Å; I157-L218 HydrophobicContact CD1-CD2 4.14Å; I157-L218 HydrophobicContact CD1-CG 4.06Å; I157-L218 HydrophobicContact CG2-CD2 3.66Å; I157-L218 HydrophobicContact CG2-CG 4.39Å; I157-L218 PolarHBondContact N-O 2.87Å; I157-A220 HydrophobicContact CD1-CB 4.44Å; I157-I241 HydrophobicContact CG1-CD1 3.92Å | ||
| 158 | P | 89.2 | Confident | 87.2 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 25% | 0.253 | 39% | 0.392 | S | S | . | . | trans | -79.6 | 62.4 | -170.3 | 34.2 | -37.8 | 0 | 0 | 0 | 112.5 | D160 N161 H162 I241 I245 | P158-D160 VanDerWaalsContact C-N 3.33Å; P158-N161 HydrophobicContact CB-CB 4.42Å; P158-N161 PolarHBondContact O-N 2.88Å; P158-H162 PolarHBondContact O-N 2.66Å; P158-I241 HydrophobicContact CG-CG2 4.29Å; P158-I245 HydrophobicContact CG-CD1 3.86Å | ||
| 159 | Q | 87.1 | Confident | 88.3 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 29% | 0.29 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34.9 | 178.2 | -173.8 | 174.6 | 3.9 | 0 | 0 | 112 | I157 N161 H162 P163 L218 | I157-Q159 PolarHBondContact O-N 3.21Å; Q159-N161 PolarHBondContact O-N 3.12Å; Q159-H162 CarbonylContact O-C 3.47Å; Q159-H162 PolarHBondContact O-N 2.93Å; Q159-H162 VanDerWaalsContact O-N 3.13Å; Q159-P163 WeakPolarHBondContact O-CA 3.39Å; Q159-P163 VanDerWaalsContact O-N 3.14Å; Q159-L218 HydrophobicContact CB-CD2 4.15Å |
| 160 | D | 85.3 | Confident | 89.3 | Confident | 145 Ų | 145 | 66 Ų | 66 | 78% | 0.775 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.8 | -178.5 | -54.2 | -48.4 | 0 | 0 | 0 | 112.6 | P158 | P158-D160 VanDerWaalsContact C-N 3.33Š|
| 161 | N | 88.8 | Confident | 89.9 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 65% | 0.647 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -25.2 | 175.1 | -63.2 | 97.9 | 0 | 0 | 0 | 113.3 | P158 Q159 | P158-N161 HydrophobicContact CB-CB 4.42Å; P158-N161 PolarHBondContact O-N 2.88Å; Q159-N161 PolarHBondContact O-N 3.12Å |
| 162 | H | 86 | Confident | 90.2 | Very high | 60 Ų | 60 | 60.6 Ų | 60.6 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | trans | -141.2 | 65.7 | -171.3 | -64.8 | -69.8 | 0 | 0 | 0 | 111.1 | P158 Q159 D164 I165 F167 | P158-H162 PolarHBondContact O-N 2.66Å; Q159-H162 CarbonylContact O-C 3.47Å; Q159-H162 PolarHBondContact O-N 2.93Å; Q159-H162 VanDerWaalsContact O-N 3.13Å; H162-D164 VanDerWaalsContact C-OD1 3.28Å; H162-D164 WeakPolarHBondContact CA-OD1 3.38Å; H162-D164 PolarHBondContact O-N 3.23Å; H162-I165 HydrophobicContact CB-CB 4.24Å; H162-I165 HydrophobicContact CB-CD1 3.92Å; H162-I165 HydrophobicContact CB-CG1 4.21Å; H162-I165 PolarHBondContact O-N 2.93Å; H162-I165 VanDerWaalsContact O-N 3.11Å; H162-F167 HydrophobicContact CB-CE2 3.92Å; H162-F167 HydrophobicContact CB-CZ 3.97Å | ||
| 163 | P | 85.1 | Confident | 90.2 | Very high | 104 Ų | 104 | 57.5 Ų | 57.5 | 68% | 0.675 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -14.4 | -175 | 29.5 | -36.6 | 0 | 0 | 0 | 113.6 | Q159 | Q159-P163 WeakPolarHBondContact O-CA 3.39Å; Q159-P163 VanDerWaalsContact O-N 3.14Å |
| 164 | D | 85.9 | Confident | 90.2 | Very high | 100 Ų | 100 | 54.7 Ų | 54.7 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -29.6 | 171.7 | 59.3 | -48 | 0 | 0 | 0 | 112.8 | H162 N166 | H162-D164 VanDerWaalsContact C-OD1 3.28Å; H162-D164 WeakPolarHBondContact CA-OD1 3.38Å; H162-D164 PolarHBondContact O-N 3.23Å; D164-N166 PolarHBondContact O-ND2 3.19Å |
| 165 | I | 86.8 | Confident | 90 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -89.2 | 116.2 | -171.9 | -59.9 | 174.9 | 0 | 0 | 0 | 111.2 | H162 F167 G244 | H162-I165 HydrophobicContact CB-CB 4.24Å; H162-I165 HydrophobicContact CB-CD1 3.92Å; H162-I165 HydrophobicContact CB-CG1 4.21Å; H162-I165 PolarHBondContact O-N 2.93Å; H162-I165 VanDerWaalsContact O-N 3.11Å; I165-F167 VanDerWaalsContact C-N 3.27Å; I165-F167 HydrophobicContact CB-CD2 4.35Å; I165-F167 HydrophobicContact CB-CE1 4.32Å; I165-F167 HydrophobicContact CB-CE2 3.82Å; I165-F167 HydrophobicContact CB-CZ 3.8Å; I165-F167 HydrophobicContact CD1-CZ 4.41Å; I165-F167 HydrophobicContact CG2-CD1 3.89Å; I165-F167 HydrophobicContact CG2-CD2 4.19Å; I165-F167 HydrophobicContact CG2-CE1 3.6Å; I165-F167 HydrophobicContact CG2-CE2 3.92Å; I165-F167 HydrophobicContact CG2-CG 4.18Å; I165-F167 HydrophobicContact CG2-CZ 3.61Å; I165-F167 WeakPolarHBondContact O-CD2 3.46Å; I165-F167 PolarHBondContact O-N 3.15Å; I165-G244 WeakPolarHBondContact CD1-O 3.33Å |
| 166 | N | 89.2 | Confident | 89.9 | Confident | 111 Ų | 111 | 60 Ų | 60 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | trans | -79.6 | 62.5 | -177.9 | -80.9 | -94.3 | 0 | 0 | 0 | 113.2 | D164 V168 G169 L170 | D164-N166 PolarHBondContact O-ND2 3.19Å; N166-V168 VanDerWaalsContact C-N 3.27Å; N166-V168 PolarHBondContact O-N 2.57Å; N166-G169 WeakPolarHBondContact O-CA 3.46Å; N166-G169 PolarHBondContact O-N 2.59Å; N166-L170 PolarHBondContact O-N 2.7Å; N166-L170 VanDerWaalsContact O-N 3.12Å | ||
| 167 | F | 89.8 | Confident | 90 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51.2 | -40.8 | -178.8 | -62.4 | -73.7 | 0 | 0 | 0 | 114.1 | I157 H162 I165 G169 L170 L171 I241 I245 | I157-F167 HydrophobicContact CG2-CB 3.57Å; I157-F167 HydrophobicContact CG2-CD1 4.24Å; I157-F167 HydrophobicContact CG2-CD2 3.81Å; I157-F167 HydrophobicContact CG2-CG 3.62Å; H162-F167 HydrophobicContact CB-CE2 3.92Å; H162-F167 HydrophobicContact CB-CZ 3.97Å; I165-F167 VanDerWaalsContact C-N 3.27Å; I165-F167 HydrophobicContact CB-CD2 4.35Å; I165-F167 HydrophobicContact CB-CE1 4.32Å; I165-F167 HydrophobicContact CB-CE2 3.82Å; I165-F167 HydrophobicContact CB-CZ 3.8Å; I165-F167 HydrophobicContact CD1-CZ 4.41Å; I165-F167 HydrophobicContact CG2-CD1 3.89Å; I165-F167 HydrophobicContact CG2-CD2 4.19Å; I165-F167 HydrophobicContact CG2-CE1 3.6Å; I165-F167 HydrophobicContact CG2-CE2 3.92Å; I165-F167 HydrophobicContact CG2-CG 4.18Å; I165-F167 HydrophobicContact CG2-CZ 3.61Å; I165-F167 WeakPolarHBondContact O-CD2 3.46Å; I165-F167 PolarHBondContact O-N 3.15Å; F167-G169 VanDerWaalsContact C-N 3.29Å; F167-G169 PolarHBondContact O-N 2.67Å; F167-L170 PolarHBondContact O-N 2.95Å; F167-L171 WeakPolarHBondContact O-CB 3.46Å; F167-L171 WeakPolarHBondContact O-CG 3.31Å; F167-L171 PolarHBondContact O-N 2.88Å; F167-I241 HydrophobicContact CD1-CG2 4.45Å; F167-I241 HydrophobicContact CE1-CG2 4.15Å; F167-I245 HydrophobicContact CE1-CD1 4.26Å; F167-I245 HydrophobicContact CE1-CG1 3.8Å; F167-I245 HydrophobicContact CZ-CD1 4.18Å; F167-I245 HydrophobicContact CZ-CG1 3.75Å |
| 168 | V | 91.2 | Very high | 90.1 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 177.8 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | N166 I172 I192 L218 | N166-V168 VanDerWaalsContact C-N 3.27Å; N166-V168 PolarHBondContact O-N 2.57Å; V168-I172 HydrophobicContact CG1-CD1 3.73Å; V168-I172 WeakPolarHBondContact O-CB 3.36Å; V168-I172 VanDerWaalsContact O-CG1 3.23Å; V168-I172 WeakPolarHBondContact O-CG1 3.44Å; V168-I172 PolarHBondContact O-N 2.82Å; V168-I172 VanDerWaalsContact O-N 3.13Å; V168-I192 HydrophobicContact CG1-CD1 4.2Å; V168-I192 HydrophobicContact CG2-CG2 4.47Å; V168-L218 HydrophobicContact CG2-CD1 3.83Å; V168-L218 HydrophobicContact CG2-CD2 3.71Å; V168-L218 HydrophobicContact CG2-CG 4.42Å |
| 169 | G | 91.2 | Very high | 90.4 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N166 F167 G173 | N166-G169 WeakPolarHBondContact O-CA 3.46Å; N166-G169 PolarHBondContact O-N 2.59Å; F167-G169 VanDerWaalsContact C-N 3.29Å; F167-G169 PolarHBondContact O-N 2.67Å; G169-G173 PolarHBondContact O-N 3.01Å |
| 170 | L | 92 | Very high | 90.8 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | -179.8 | -172.7 | 71.2 | 0 | 0 | 0 | 112.6 | N166 F167 I240 L254 R255 Q258 | N166-L170 PolarHBondContact O-N 2.7Å; N166-L170 VanDerWaalsContact O-N 3.12Å; F167-L170 PolarHBondContact O-N 2.95Å; L170-I240 HydrophobicContact CD2-CG2 3.67Å; L170-I240 HydrophobicContact CG-CG2 3.74Å; L170-L254 HydrophobicContact CD1-CD2 4.13Å; L170-L254 HydrophobicContact CD1-CG 4.15Å; L170-L254 HydrophobicContact CG-CD2 4.42Å; L170-R255 HydrophobicContact CD1-CB 3.91Å; L170-Q258 PolarHBondContact O-NE2 2.81Å |
| 171 | L | 93.2 | Very high | 91.2 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.9 | -34.2 | 177.7 | -72.3 | 167.3 | 0 | 0 | 0 | 113 | I157 F167 I192 I237 I240 | I157-L171 HydrophobicContact CD1-CD1 3.59Å; I157-L171 HydrophobicContact CG1-CD1 4.49Å; F167-L171 WeakPolarHBondContact O-CB 3.46Å; F167-L171 WeakPolarHBondContact O-CG 3.31Å; F167-L171 PolarHBondContact O-N 2.88Å; L171-I192 HydrophobicContact CB-CD1 3.96Å; L171-I192 HydrophobicContact CD1-CD1 4.28Å; L171-I237 HydrophobicContact CD2-CG1 4.49Å; L171-I237 HydrophobicContact CD2-CG2 4.18Å; L171-I240 HydrophobicContact CD2-CB 4.05Å; L171-I240 HydrophobicContact CD2-CD1 4.26Å; L171-I240 HydrophobicContact CD2-CG2 3.74Å; L171-I240 HydrophobicContact CG-CG2 4.33Å |
| 172 | I | 93.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 51.9 Ų | 51.9 | 30% | 0.297 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -80.6 | -46.4 | -180 | -65.2 | 176.3 | 0 | 0 | 0 | 111.4 | V168 G176 T178 L179 I192 | V168-I172 HydrophobicContact CG1-CD1 3.73Å; V168-I172 WeakPolarHBondContact O-CB 3.36Å; V168-I172 VanDerWaalsContact O-CG1 3.23Å; V168-I172 WeakPolarHBondContact O-CG1 3.44Å; V168-I172 PolarHBondContact O-N 2.82Å; V168-I172 VanDerWaalsContact O-N 3.13Å; I172-G176 CarbonylContact O-C 3.5Å; I172-G176 VanDerWaalsContact O-CA 3.28Å; I172-G176 WeakPolarHBondContact O-CA 3.09Å; I172-T178 PolarHBondContact O-N 2.73Å; I172-L179 PolarHBondContact O-N 3.3Å; I172-L179 VanDerWaalsContact O-N 3.13Å; I172-I192 HydrophobicContact CD1-CD1 4.13Å; I172-I192 HydrophobicContact CG1-CD1 3.82Å |
| 173 | G | 92.4 | Very high | 92 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | trans | 69.4 | 179.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G169 R175 G176 | G169-G173 PolarHBondContact O-N 3.01Å; G173-R175 PolarHBondContact O-N 3.37Å; G173-G176 PolarHBondContact O-N 3.43Å | ||
| 174 | P | 93.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.045 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -59.7 | 127.9 | -179.5 | 25.1 | -34.6 | 0 | 0 | 0 | 111.3 | G176 N177 E261 L262 L265 | P174-G176 PolarHBondContact O-N 2.85Å; P174-N177 WeakPolarHBondContact O-CB 3.35Å; P174-N177 PolarHBondContact O-N 2.97Å; P174-E261 HydrophobicContact CB-CG 4.4Å; P174-E261 HydrophobicContact CG-CB 3.94Å; P174-E261 HydrophobicContact CG-CG 3.74Å; P174-E261 VanDerWaalsContact CG-OE2 3.31Å; P174-E261 WeakPolarHBondContact CG-OE2 3.22Å; P174-L262 HydrophobicContact CB-CB 4Å; P174-L262 HydrophobicContact CB-CD1 4.07Å; P174-L265 HydrophobicContact CB-CD1 4.25Å |
| 175 | R | 90.8 | Very high | 92.9 | Very high | 180 Ų | 180 | 56.2 Ų | 56.2 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | 51.8 | 20.4 | -179.1 | -53.8 | -67.9 | 176.5 | 156.7 | -2.6 | 114.5 | G173 L265 N266 | G173-R175 PolarHBondContact O-N 3.37Å; R175-L265 HydrophobicContact CG-CD1 4.06Å; R175-N266 PolarHBondContact NH2-OD1 3.44Å |
| 176 | G | 92.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | 74.6 | 18.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I172 G173 P174 K180 | I172-G176 CarbonylContact O-C 3.5Å; I172-G176 VanDerWaalsContact O-CA 3.28Å; I172-G176 WeakPolarHBondContact O-CA 3.09Å; G173-G176 PolarHBondContact O-N 3.43Å; P174-G176 PolarHBondContact O-N 2.85Å; G176-K180 WeakPolarHBondContact O-CD 3.28Å; G176-K180 VanDerWaalsContact O-CG 3.27Å; G176-K180 WeakPolarHBondContact O-CG 3.29Å; G176-K180 PolarHBondContact O-N 3.48Å |
| 177 | N | 94.7 | Very high | 93.4 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | -176.3 | -164.6 | 25.6 | 0 | 0 | 0 | 112.2 | P174 L179 K180 A181 E261 | P174-N177 WeakPolarHBondContact O-CB 3.35Å; P174-N177 PolarHBondContact O-N 2.97Å; N177-L179 PolarHBondContact O-N 3.35Å; N177-K180 PolarHBondContact O-N 2.86Å; N177-A181 WeakPolarHBondContact O-CB 3.01Å; N177-A181 PolarHBondContact O-N 3.13Å; N177-E261 PolarHBondContact ND2-OE1 3.18Å |
| 178 | T | 94.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.3 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | I172 A181 L182 Q258 | I172-T178 PolarHBondContact O-N 2.73Å; T178-A181 PolarHBondContact O-N 2.88Å; T178-L182 WeakPolarHBondContact O-CB 3.4Å; T178-L182 PolarHBondContact O-N 3.18Å; T178-Q258 PolarHBondContact OG1-NE2 3.03Å |
| 179 | L | 94.7 | Very high | 93.8 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 173.6 | -174.7 | 63.8 | 0 | 0 | 0 | 111.7 | I172 N177 A181 L182 E183 V190 | I172-L179 PolarHBondContact O-N 3.3Å; I172-L179 VanDerWaalsContact O-N 3.13Å; N177-L179 PolarHBondContact O-N 3.35Å; L179-A181 VanDerWaalsContact C-N 3.32Å; L179-A181 PolarHBondContact O-N 2.79Å; L179-L182 PolarHBondContact O-N 3.06Å; L179-E183 WeakPolarHBondContact O-CG 3.27Å; L179-E183 PolarHBondContact O-N 3.4Å; L179-V190 HydrophobicContact CD1-CB 3.92Å; L179-V190 HydrophobicContact CD1-CG1 3.95Å |
| 180 | K | 95.3 | Very high | 93.9 | Very high | 128 Ų | 128 | 54.8 Ų | 54.8 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.7 | -36.9 | 178.1 | -72.9 | 165.7 | -178.2 | 166 | 0 | 112.8 | G176 N177 K184 | G176-K180 WeakPolarHBondContact O-CD 3.28Å; G176-K180 VanDerWaalsContact O-CG 3.27Å; G176-K180 WeakPolarHBondContact O-CG 3.29Å; G176-K180 PolarHBondContact O-N 3.48Å; N177-K180 PolarHBondContact O-N 2.86Å; K180-K184 WeakPolarHBondContact O-CB 3.44Å; K180-K184 PolarHBondContact O-N 2.9Å |
| 181 | A | 94.9 | Very high | 94 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N177 T178 L179 K184 D185 | N177-A181 WeakPolarHBondContact O-CB 3.01Å; N177-A181 PolarHBondContact O-N 3.13Å; T178-A181 PolarHBondContact O-N 2.88Å; L179-A181 VanDerWaalsContact C-N 3.32Å; L179-A181 PolarHBondContact O-N 2.79Å; A181-K184 PolarHBondContact O-N 2.68Å; A181-D185 WeakPolarHBondContact O-CB 3.42Å; A181-D185 PolarHBondContact O-N 3.43Å |
| 182 | L | 94.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 176.8 | -168.2 | 157.5 | 0 | 0 | 0 | 111.8 | T178 L179 T186 V190 A233 I237 I240 | T178-L182 WeakPolarHBondContact O-CB 3.4Å; T178-L182 PolarHBondContact O-N 3.18Å; L179-L182 PolarHBondContact O-N 3.06Å; L182-T186 HydrophobicContact CD2-CG2 4.23Å; L182-T186 WeakPolarHBondContact O-CB 3.25Å; L182-T186 WeakPolarHBondContact O-CG2 3.4Å; L182-T186 PolarHBondContact O-N 2.66Å; L182-T186 PolarHBondContact O-OG1 2.87Å; L182-V190 HydrophobicContact CD2-CG2 3.77Å; L182-A233 HydrophobicContact CD2-CB 4.49Å; L182-I237 HydrophobicContact CD1-CG1 3.91Å; L182-I237 HydrophobicContact CD2-CD1 4.36Å; L182-I237 HydrophobicContact CD2-CG1 4.3Å; L182-I240 HydrophobicContact CD1-CD1 3.81Å |
| 183 | E | 95.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 59 Ų | 59 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.3 | -68.9 | -168.2 | 132.4 | 0 | 0 | 111.9 | L179 T186 G187 A188 K189 V190 | L179-E183 WeakPolarHBondContact O-CG 3.27Å; L179-E183 PolarHBondContact O-N 3.4Å; E183-T186 PolarHBondContact O-OG1 3.4Å; E183-G187 WeakPolarHBondContact O-CA 3.29Å; E183-G187 PolarHBondContact O-N 2.94Å; E183-A188 VanDerWaalsContact CA-O 3.3Å; E183-A188 WeakPolarHBondContact CA-O 3.36Å; E183-A188 WeakPolarHBondContact CB-O 3.37Å; E183-A188 WeakPolarHBondContact CG-O 3.4Å; E183-K189 VanDerWaalsContact OE1-CA 3.29Å; E183-K189 WeakPolarHBondContact OE1-CA 3.3Å; E183-K189 VanDerWaalsContact OE1-CG 3.24Å; E183-K189 WeakPolarHBondContact OE1-CG 3.44Å; E183-V190 HydrophobicContact CG-CB 4.35Å; E183-V190 HydrophobicContact CG-CG2 4.47Å; E183-V190 PolarHBondContact OE1-N 2.89Å |
| 184 | K | 95.5 | Very high | 93.4 | Very high | 190 Ų | 190 | 59 Ų | 59 | 83% | 0.826 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 179.6 | 179.8 | -178 | 175.5 | -174 | 0 | 113 | K180 A181 | K180-K184 WeakPolarHBondContact O-CB 3.44Å; K180-K184 PolarHBondContact O-N 2.9Å; A181-K184 PolarHBondContact O-N 2.68Å |
| 185 | D | 95.2 | Very high | 92.9 | Very high | 111 Ų | 111 | 64.3 Ų | 64.3 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -82.4 | -17.4 | -175.6 | 178.9 | 17.2 | 0 | 0 | 0 | 112.5 | A181 K236 | A181-D185 WeakPolarHBondContact O-CB 3.42Å; A181-D185 PolarHBondContact O-N 3.43Å; D185-K236 IonicContact OD1-NZ 3.18Å; D185-K236 PolarHBondContact OD1-NZ 3.21Å; D185-K236 IonicContact OD2-NZ 2.71Å; D185-K236 PolarHBondContact OD2-NZ 2.95Å |
| 186 | T | 94.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -103.3 | -26.3 | 176.1 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | L182 E183 A188 C229 A233 K236 | L182-T186 HydrophobicContact CD2-CG2 4.23Å; L182-T186 WeakPolarHBondContact O-CB 3.25Å; L182-T186 WeakPolarHBondContact O-CG2 3.4Å; L182-T186 PolarHBondContact O-N 2.66Å; L182-T186 PolarHBondContact O-OG1 2.87Å; E183-T186 PolarHBondContact O-OG1 3.4Å; T186-A188 PolarHBondContact O-N 3.21Å; T186-A188 PolarHBondContact OG1-N 2.75Å; T186-C229 VanDerWaalsContact O-CB 3.28Å; T186-C229 WeakPolarHBondContact O-CB 3.3Å; T186-C229 PolarHBondContact O-SG 3.37Å; T186-A233 HydrophobicContact CG2-CB 3.8Å; T186-K236 HydrophobicContact CG2-CD 3.91Å |
| 187 | G | 92.2 | Very high | 91.9 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 46% | 0.464 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 71.6 | 7.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E183 | E183-G187 WeakPolarHBondContact O-CA 3.29Å; E183-G187 PolarHBondContact O-N 2.94Å |
| 188 | A | 94.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | trans | -99.5 | 145.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E183 T186 I222 A224 A233 | E183-A188 VanDerWaalsContact CA-O 3.3Å; E183-A188 WeakPolarHBondContact CA-O 3.36Å; E183-A188 WeakPolarHBondContact CB-O 3.37Å; E183-A188 WeakPolarHBondContact CG-O 3.4Å; T186-A188 PolarHBondContact O-N 3.21Å; T186-A188 PolarHBondContact OG1-N 2.75Å; A188-I222 HydrophobicContact CB-CG2 3.84Å; A188-A224 HydrophobicContact CB-CB 3.7Å; A188-A233 HydrophobicContact CB-CB 3.85Å | ||
| 189 | K | 94.5 | Very high | 90.2 | Very high | 113 Ų | 113 | 66 Ų | 66 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.1 | 167.6 | -169.4 | 178.5 | -176.2 | 173.8 | 0 | 109.4 | E183 I191 I222 S223 | E183-K189 VanDerWaalsContact OE1-CA 3.29Å; E183-K189 WeakPolarHBondContact OE1-CA 3.3Å; E183-K189 VanDerWaalsContact OE1-CG 3.24Å; E183-K189 WeakPolarHBondContact OE1-CG 3.44Å; K189-I191 HydrophobicContact CD-CD1 4.29Å; K189-I191 HydrophobicContact CG-CG1 4.4Å; K189-I222 CarbonylContact O-C 3.35Å; K189-I222 WeakPolarHBondContact O-CA 3.31Å; K189-S223 WeakPolarHBondContact CB-O 3.29Å; K189-S223 PolarHBondContact N-O 3.46Å; K189-S223 PolarHBondContact O-N 3.13Å |
| 190 | V | 94.6 | Very high | 88.9 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 6% | 0.055 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.6 | -176.4 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | L179 L182 E183 A220 I222 I237 | L179-V190 HydrophobicContact CD1-CB 3.92Å; L179-V190 HydrophobicContact CD1-CG1 3.95Å; L182-V190 HydrophobicContact CD2-CG2 3.77Å; E183-V190 HydrophobicContact CG-CB 4.35Å; E183-V190 HydrophobicContact CG-CG2 4.47Å; E183-V190 PolarHBondContact OE1-N 2.89Å; V190-A220 HydrophobicContact CG1-CB 4.34Å; V190-I222 HydrophobicContact CG2-CG1 4.37Å; V190-I222 HydrophobicContact CG2-CG2 4.48Å; V190-I237 HydrophobicContact CG1-CD1 3.86Å; V190-I237 HydrophobicContact CG2-CD1 4.16Å |
| 191 | I | 92.6 | Very high | 87.3 | Confident | 53 Ų | 53 | 70.4 Ų | 70.4 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 114.2 | -175.7 | -52.5 | 176.9 | 0 | 0 | 0 | 108.1 | K189 R193 F221 | K189-I191 HydrophobicContact CD-CD1 4.29Å; K189-I191 HydrophobicContact CG-CG1 4.4Å; I191-R193 HydrophobicContact CG2-CG 4.16Å; I191-F221 PolarHBondContact N-O 2.99Å; I191-F221 WeakPolarHBondContact O-CB 3.45Å; I191-F221 PolarHBondContact O-N 3.41Å |
| 192 | I | 92 | Very high | 85.8 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 11% | 0.108 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 139 | 171.8 | -48.3 | -177.7 | 0 | 0 | 0 | 108.6 | I157 V168 L171 I172 S197 L218 H219 | I157-I192 HydrophobicContact CD1-CG2 4.48Å; V168-I192 HydrophobicContact CG1-CD1 4.2Å; V168-I192 HydrophobicContact CG2-CG2 4.47Å; L171-I192 HydrophobicContact CB-CD1 3.96Å; L171-I192 HydrophobicContact CD1-CD1 4.28Å; I172-I192 HydrophobicContact CD1-CD1 4.13Å; I172-I192 HydrophobicContact CG1-CD1 3.82Å; I192-S197 WeakPolarHBondContact CG2-OG 3.21Å; I192-S197 PolarHBondContact O-OG 2.83Å; I192-S197 VanDerWaalsContact O-OG 3.14Å; I192-L218 HydrophobicContact CG2-CD1 3.7Å; I192-H219 WeakPolarHBondContact CA-O 3.45Å |
| 193 | R | 89.4 | Confident | 84.1 | Confident | 92 Ų | 92 | 80.4 Ų | 80.4 | 35% | 0.347 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 172.9 | 179.3 | -70.2 | -162 | -175.7 | 110.8 | -0.8 | 111.1 | I191 S197 H219 F221 | I191-R193 HydrophobicContact CG2-CG 4.16Å; R193-S197 PolarHBondContact N-OG 2.92Å; R193-H219 PolarHBondContact N-O 3.3Å; R193-H219 PolarHBondContact O-N 2.93Å; R193-F221 VanDerWaalsContact NH1-CD2 3.33Å |
| 194 | G | 86.6 | Confident | 82.3 | Confident | 13 Ų | 13 | 80 Ų | 80 | 13% | 0.134 | 44% | 0.439 | C | S | . | . | S | Bend | trans | 88.7 | -176.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S197 E216 | G194-S197 WeakPolarHBondContact O-CB 3.47Å; G194-S197 PolarHBondContact O-N 3.48Å; G194-S197 VanDerWaalsContact O-N 3.09Å; G194-E216 CarbonylContact C-O 3.57Å; G194-E216 WeakPolarHBondContact CA-O 3.41Å |
| 195 | K | 82.3 | Confident | 80.4 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 52% | 0.522 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 137.5 | 179.1 | -68.2 | 168.2 | 174.3 | 149.9 | 0 | 110.8 | S197 E214 D215 E216 L218 | K195-S197 PolarHBondContact O-N 2.96Å; K195-E214 WeakPolarHBondContact CG-O 3.36Å; K195-D215 WeakPolarHBondContact CE-O 3.46Å; K195-D215 PolarHBondContact NZ-O 3.49Å; K195-E216 PolarHBondContact N-O 2.99Å; K195-L218 WeakPolarHBondContact O-CB 3.45Å; K195-L218 WeakPolarHBondContact O-CD1 3.43Å |
| 196 | G | 79.6 | Confident | 78.6 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -9.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | V198 | G196-V198 VanDerWaalsContact C-N 3.28Å; G196-V198 PolarHBondContact O-N 2.91Å |
| 197 | S | 81.6 | Confident | 76.9 | Confident | 23 Ų | 23 | 91.1 Ų | 91.1 | 16% | 0.161 | 48% | 0.475 | C | S | . | . | trans | -67.1 | -22.8 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 114.8 | I192 R193 G194 K195 | I192-S197 WeakPolarHBondContact CG2-OG 3.21Å; I192-S197 PolarHBondContact O-OG 2.83Å; I192-S197 VanDerWaalsContact O-OG 3.14Å; R193-S197 PolarHBondContact N-OG 2.92Å; G194-S197 WeakPolarHBondContact O-CB 3.47Å; G194-S197 PolarHBondContact O-N 3.48Å; G194-S197 VanDerWaalsContact O-N 3.09Å; K195-S197 PolarHBondContact O-N 2.96Å | ||
| 198 | V | 77.8 | Confident | 75.4 | Confident | 73 Ų | 73 | 92.3 Ų | 92.3 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -105 | 125.8 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 108 | G196 E200 K202 V203 | G196-V198 VanDerWaalsContact C-N 3.28Å; G196-V198 PolarHBondContact O-N 2.91Å; V198-E200 PolarHBondContact O-N 2.87Å; V198-E200 VanDerWaalsContact O-N 3.16Å; V198-K202 HydrophobicContact CG1-CB 4.29Å; V198-K202 WeakPolarHBondContact CG1-O 3.34Å; V198-V203 HydrophobicContact CG1-CG2 4.42Å |
| 199 | K | 75.9 | Confident | 74 | Confident | 181 Ų | 181 | 98.2 Ų | 98.2 | 79% | 0.787 | 52% | 0.518 | S | S | * | . | trans | -58 | 124.2 | 174.6 | -178.5 | 167.3 | -178 | 168.2 | 0 | 109.5 | K202 | K199-K202 PolarHBondContact O-N 2.81Š| ||
| 200 | E | 66.9 | Low | 72.2 | Confident | 182 Ų | 182 | 97 Ų | 97 | 85% | 0.85 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | 137.2 | 179.8 | -163.8 | 172.6 | -166.5 | 0 | 0 | 111.6 | V198 | V198-E200 PolarHBondContact O-N 2.87Å; V198-E200 VanDerWaalsContact O-N 3.16Å |
| 201 | G | 63.2 | Low | 70.6 | Confident | 75 Ų | 75 | 100 Ų | 100 | 77% | 0.773 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -0.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 202 | K | 62.8 | Low | 69.2 | Low | 177 Ų | 177 | 104 Ų | 104 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -118.4 | 25.5 | 167.1 | -65.5 | -166.1 | 175 | -170.7 | 0 | 113.6 | V198 K199 | V198-K202 HydrophobicContact CG1-CB 4.29Å; V198-K202 WeakPolarHBondContact CG1-O 3.34Å; K199-K202 PolarHBondContact O-N 2.81Å |
| 203 | V | 60.2 | Low | 67.8 | Low | 99 Ų | 99 | 104.2 Ų | 104.2 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | trans | -78.5 | 140 | -171.1 | -179.9 | 0 | 0 | 0 | 0 | 112 | V198 | V198-V203 HydrophobicContact CG1-CG2 4.42Š| ||
| 204 | G | 57.3 | Low | 66.6 | Low | 44 Ų | 44 | 102.9 Ų | 102.9 | 45% | 0.454 | 57% | 0.571 | S | S | . | * | S | Bend | trans | 78.8 | 164.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 205 | R | 55 | Low | 65.9 | Low | 168 Ų | 168 | 108.4 Ų | 108.4 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | trans | -73.9 | 160 | 153.8 | -57.1 | -176.5 | -177.5 | -153.4 | 1.9 | 108.3 | D207 G208 | R205-D207 HydrophobicContact CB-CB 4.44Å; R205-D207 VanDerWaalsContact CB-OD2 3.3Å; R205-D207 WeakPolarHBondContact CB-OD2 3.45Å; R205-D207 PolarHBondContact O-N 2.81Å; R205-G208 PolarHBondContact O-N 2.87Å | ||
| 206 | R | 56.4 | Low | 66 | Low | 257 Ų | 257 | 106 Ų | 106 | 97% | 0.97 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -18.4 | 171.8 | -80.5 | -173.6 | 170.6 | -174.7 | -2.9 | 113.5 | G208 | R206-G208 VanDerWaalsContact C-N 3.29Å; R206-G208 PolarHBondContact O-N 2.84Å |
| 207 | D | 60.8 | Low | 66.4 | Low | 118 Ų | 118 | 106.7 Ų | 106.7 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 2.5 | -169.4 | -35.1 | -52.9 | 0 | 0 | 0 | 113.7 | R205 L209 | R205-D207 HydrophobicContact CB-CB 4.44Å; R205-D207 VanDerWaalsContact CB-OD2 3.3Å; R205-D207 WeakPolarHBondContact CB-OD2 3.45Å; R205-D207 PolarHBondContact O-N 2.81Å; D207-L209 PolarHBondContact O-N 3.11Å |
| 208 | G | 59.2 | Low | 66.9 | Low | 69 Ų | 69 | 105.9 Ų | 105.9 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | trans | 69.1 | -5.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | R205 R206 | R205-G208 PolarHBondContact O-N 2.87Å; R206-G208 VanDerWaalsContact C-N 3.29Å; R206-G208 PolarHBondContact O-N 2.84Å | ||
| 209 | L | 64.7 | Low | 67.6 | Low | 128 Ų | 128 | 102.4 Ų | 102.4 | 67% | 0.67 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 120.9 | 177.1 | -127.9 | 71.6 | 0 | 0 | 0 | 110.3 | D207 | D207-L209 PolarHBondContact O-N 3.11Š|
| 210 | P | 58 | Low | 68.4 | Low | 87 Ų | 87 | 93.8 Ų | 93.8 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 141.6 | 176.6 | 26.7 | -34.2 | 0 | 0 | 0 | 110 | E214 | P210-E214 WeakPolarHBondContact CA-OE2 3.24Å; P210-E214 WeakPolarHBondContact CB-OE2 3.32Å |
| 211 | L | 61 | Low | 69.7 | Low | 73 Ų | 73 | 87.1 Ų | 87.1 | 38% | 0.382 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 132.4 | 176.1 | -60.4 | 171.6 | 0 | 0 | 0 | 109.3 | G213 E214 | L211-G213 PolarHBondContact O-N 3.11Å; L211-E214 HydrophobicContact CB-CG 4.11Å; L211-E214 WeakPolarHBondContact CB-OE1 3.04Å; L211-E214 VanDerWaalsContact CG-OE1 3.25Å; L211-E214 WeakPolarHBondContact CG-OE1 3.39Å; L211-E214 PolarHBondContact N-OE1 2.9Å; L211-E214 PolarHBondContact N-OE2 3.2Å; L211-E214 PolarHBondContact O-N 2.87Å |
| 212 | P | 62.7 | Low | 71.3 | Confident | 136 Ų | 136 | 83.5 Ų | 83.5 | 88% | 0.883 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 108.7 | -179.2 | 24.7 | -33.5 | 0 | 0 | 0 | 110.1 | ||
| 213 | G | 61.8 | Low | 72.7 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 27% | 0.268 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.1 | -0.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L211 D215 E216 | L211-G213 PolarHBondContact O-N 3.11Å; G213-D215 PolarHBondContact O-N 3.36Å; G213-E216 PolarHBondContact O-N 2.96Å |
| 214 | E | 65.1 | Low | 74.3 | Confident | 63 Ų | 63 | 71 Ų | 71 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21 | 171.3 | -78.7 | 170.1 | -166.6 | 0 | 0 | 113.2 | K195 P210 L211 | K195-E214 WeakPolarHBondContact CG-O 3.36Å; P210-E214 WeakPolarHBondContact CA-OE2 3.24Å; P210-E214 WeakPolarHBondContact CB-OE2 3.32Å; L211-E214 HydrophobicContact CB-CG 4.11Å; L211-E214 WeakPolarHBondContact CB-OE1 3.04Å; L211-E214 VanDerWaalsContact CG-OE1 3.25Å; L211-E214 WeakPolarHBondContact CG-OE1 3.39Å; L211-E214 PolarHBondContact N-OE1 2.9Å; L211-E214 PolarHBondContact N-OE2 3.2Å; L211-E214 PolarHBondContact O-N 2.87Å |
| 215 | D | 72.1 | Confident | 75.8 | Confident | 130 Ų | 130 | 73.1 Ų | 73.1 | 70% | 0.695 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -22.5 | 175.6 | -65.3 | -65 | 0 | 0 | 0 | 114.4 | K195 G213 | K195-D215 WeakPolarHBondContact CE-O 3.46Å; K195-D215 PolarHBondContact NZ-O 3.49Å; G213-D215 PolarHBondContact O-N 3.36Å |
| 216 | E | 84 | Confident | 77.4 | Confident | 70 Ų | 70 | 67.4 Ų | 67.4 | 33% | 0.327 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -71.7 | 147 | -179 | -62.9 | -168.9 | 149.9 | 0 | 0 | 110.9 | K154 G194 K195 G213 H219 | K154-E216 IonicContact NZ-OE1 3.49Å; K154-E216 PolarHBondContact NZ-OE1 3.25Å; K154-E216 IonicContact NZ-OE2 2.93Å; K154-E216 PolarHBondContact NZ-OE2 3.18Å; G194-E216 CarbonylContact C-O 3.57Å; G194-E216 WeakPolarHBondContact CA-O 3.41Å; K195-E216 PolarHBondContact N-O 2.99Å; G213-E216 PolarHBondContact O-N 2.96Å; E216-H219 IonicContact OE2-CE1 3.57Å; E216-H219 PolarHBondContact OE2-CE1 2.94Å; E216-H219 IonicContact OE2-ND1 2.66Å; E216-H219 IonicContact OE2-NE2 2.67Å; E216-H219 PolarHBondContact OE2-NE2 3.19Å |
| 217 | P | 88.6 | Confident | 79 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 161.9 | 172.5 | 28.3 | -35.5 | 0 | 0 | 0 | 111.3 | F156 H219 | F156-P217 HydrophobicContact CD1-CG 3.96Å; F156-P217 HydrophobicContact CE1-CG 3.94Å; P217-H219 PolarHBondContact O-N 3.03Å; P217-H219 PolarHBondContact O-ND1 2.83Å |
| 218 | L | 91.6 | Very high | 80.5 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -56.5 | 123.4 | -177.7 | -173.6 | 70.5 | 0 | 0 | 0 | 110.7 | I157 Q159 V168 I192 K195 | I157-L218 HydrophobicContact CB-CB 4.37Å; I157-L218 HydrophobicContact CB-CD2 3.83Å; I157-L218 HydrophobicContact CB-CG 3.99Å; I157-L218 HydrophobicContact CD1-CD2 4.14Å; I157-L218 HydrophobicContact CD1-CG 4.06Å; I157-L218 HydrophobicContact CG2-CD2 3.66Å; I157-L218 HydrophobicContact CG2-CG 4.39Å; I157-L218 PolarHBondContact N-O 2.87Å; Q159-L218 HydrophobicContact CB-CD2 4.15Å; V168-L218 HydrophobicContact CG2-CD1 3.83Å; V168-L218 HydrophobicContact CG2-CD2 3.71Å; V168-L218 HydrophobicContact CG2-CG 4.42Å; I192-L218 HydrophobicContact CG2-CD1 3.7Å; K195-L218 WeakPolarHBondContact O-CB 3.45Å; K195-L218 WeakPolarHBondContact O-CD1 3.43Å |
| 219 | H | 92.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 149.7 | 179.7 | 66.6 | -83.5 | 0 | 0 | 0 | 112.7 | V155 F156 I192 R193 E216 P217 | V155-H219 CarbonylContact O-C 3.52Å; V155-H219 VanDerWaalsContact O-CA 3.24Å; V155-H219 WeakPolarHBondContact O-CA 3.47Å; V155-H219 WeakPolarHBondContact O-CB 3.28Å; F156-H219 HydrophobicContact CD1-CB 4.01Å; F156-H219 HydrophobicContact CE1-CB 4.46Å; I192-H219 WeakPolarHBondContact CA-O 3.45Å; R193-H219 PolarHBondContact N-O 3.3Å; R193-H219 PolarHBondContact O-N 2.93Å; E216-H219 IonicContact OE2-CE1 3.57Å; E216-H219 PolarHBondContact OE2-CE1 2.94Å; E216-H219 IonicContact OE2-ND1 2.66Å; E216-H219 IonicContact OE2-NE2 2.67Å; E216-H219 PolarHBondContact OE2-NE2 3.19Å; P217-H219 PolarHBondContact O-N 3.03Å; P217-H219 PolarHBondContact O-ND1 2.83Å |
| 220 | A | 93.7 | Very high | 83.6 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V155 I157 V190 I237 | V155-A220 PolarHBondContact N-O 2.97Å; V155-A220 PolarHBondContact O-N 3.41Å; I157-A220 HydrophobicContact CD1-CB 4.44Å; V190-A220 HydrophobicContact CG1-CB 4.34Å; A220-I237 HydrophobicContact CB-CD1 4.22Å; A220-I237 HydrophobicContact CB-CG2 4.21Å |
| 221 | F | 94.1 | Very high | 85.4 | Confident | 41 Ų | 41 | 49 Ų | 49 | 18% | 0.18 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.3 | 171.3 | -179.3 | -89.1 | 0 | 0 | 0 | 109.8 | T152 K154 I191 R193 | T152-F221 HydrophobicContact CG2-CE1 3.98Å; T152-F221 HydrophobicContact CG2-CE2 4.35Å; T152-F221 HydrophobicContact CG2-CZ 3.53Å; K154-F221 HydrophobicContact CG-CD2 4.16Å; I191-F221 PolarHBondContact N-O 2.99Å; I191-F221 WeakPolarHBondContact O-CB 3.45Å; I191-F221 PolarHBondContact O-N 3.41Å; R193-F221 VanDerWaalsContact NH1-CD2 3.33Å |
| 222 | I | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 140.3 | -174.5 | -55.8 | 168.1 | 0 | 0 | 0 | 108.4 | T152 D153 V155 A188 K189 V190 V230 A233 V234 I237 | T152-I222 VanDerWaalsContact CA-O 3.22Å; T152-I222 WeakPolarHBondContact CA-O 3.22Å; D153-I222 PolarHBondContact N-O 3.25Å; D153-I222 PolarHBondContact O-N 2.8Å; V155-I222 HydrophobicContact CG2-CD1 3.72Å; A188-I222 HydrophobicContact CB-CG2 3.84Å; K189-I222 CarbonylContact O-C 3.35Å; K189-I222 WeakPolarHBondContact O-CA 3.31Å; V190-I222 HydrophobicContact CG2-CG1 4.37Å; V190-I222 HydrophobicContact CG2-CG2 4.48Å; I222-V230 HydrophobicContact CB-CG1 4.4Å; I222-V230 HydrophobicContact CG2-CB 4.42Å; I222-V230 HydrophobicContact CG2-CG1 3.96Å; I222-V230 HydrophobicContact CG2-CG2 4.46Å; I222-A233 HydrophobicContact CD1-CB 4.32Å; I222-A233 HydrophobicContact CG2-CB 3.86Å; I222-V234 HydrophobicContact CD1-CB 4.34Å; I222-V234 HydrophobicContact CD1-CG2 3.47Å; I222-V234 VanDerWaalsContact CD1-CG2 3.47Å; I222-I237 HydrophobicContact CD1-CD1 3.61Å; I222-I237 HydrophobicContact CG1-CD1 3.87Å |
| 223 | S | 93.4 | Very high | 88.6 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 109.4 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | R150 I151 K189 | R150-S223 VanDerWaalsContact CB-OG 3.27Å; R150-S223 WeakPolarHBondContact CB-OG 3.29Å; R150-S223 WeakPolarHBondContact CD-OG 3.43Å; I151-S223 WeakPolarHBondContact O-CA 3.01Å; K189-S223 WeakPolarHBondContact CB-O 3.29Å; K189-S223 PolarHBondContact N-O 3.46Å; K189-S223 PolarHBondContact O-N 3.13Å |
| 224 | A | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 160.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R150 I151 A188 S226 C229 V230 | R150-A224 CarbonylContact C-O 3.19Å; R150-A224 VanDerWaalsContact CA-O 3.26Å; R150-A224 WeakPolarHBondContact CA-O 3.38Å; I151-A224 PolarHBondContact N-O 3.49Å; I151-A224 PolarHBondContact O-N 2.98Å; A188-A224 HydrophobicContact CB-CB 3.7Å; A224-S226 VanDerWaalsContact C-N 3.33Å; A224-C229 HydrophobicContact CB-CB 3.58Å; A224-V230 HydrophobicContact CB-CG2 3.61Å |
| 225 | P | 88.6 | Confident | 91.7 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -78.8 | -13.4 | 177.3 | 32.7 | -35.8 | 0 | 0 | 0 | 114 | ||
| 226 | S | 88.5 | Confident | 92.8 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -132.8 | 145.6 | 179.3 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | A224 E228 C229 V230 | A224-S226 VanDerWaalsContact C-N 3.33Å; S226-E228 VanDerWaalsContact C-N 3.31Å; S226-E228 PolarHBondContact O-N 3.09Å; S226-E228 PolarHBondContact OG-N 3.11Å; S226-C229 WeakPolarHBondContact O-CB 3.41Å; S226-C229 PolarHBondContact O-N 3.3Å; S226-V230 PolarHBondContact O-N 3.14Å |
| 227 | A | 91.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I151 C229 V230 D231 | I151-A227 HydrophobicContact CD1-CB 3.96Å; A227-C229 PolarHBondContact O-N 3.46Å; A227-V230 WeakPolarHBondContact O-CA 3.24Å; A227-V230 WeakPolarHBondContact O-CB 3.43Å; A227-V230 PolarHBondContact O-N 3.18Å; A227-D231 PolarHBondContact O-N 3.23Å |
| 228 | E | 92.9 | Very high | 93.6 | Very high | 114 Ų | 114 | 41.6 Ų | 41.6 | 53% | 0.533 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.2 | -33.7 | 179.7 | -64.9 | -173.7 | -154.9 | 0 | 0 | 113.2 | S226 V230 D231 K232 | S226-E228 VanDerWaalsContact C-N 3.31Å; S226-E228 PolarHBondContact O-N 3.09Å; S226-E228 PolarHBondContact OG-N 3.11Å; E228-V230 VanDerWaalsContact C-N 3.34Å; E228-D231 PolarHBondContact O-N 3.44Å; E228-K232 VanDerWaalsContact O-CB 3.29Å; E228-K232 WeakPolarHBondContact O-CB 3.47Å; E228-K232 WeakPolarHBondContact O-CD 3.36Å; E228-K232 WeakPolarHBondContact O-CG 3.44Å; E228-K232 PolarHBondContact O-N 2.79Å; E228-K232 IonicContact OE2-NZ 2.71Å; E228-K232 PolarHBondContact OE2-NZ 3.24Å |
| 229 | C | 93.2 | Very high | 93.6 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | 177.1 | -70.9 | 0 | 0 | 0 | 0 | 111.2 | T186 A224 S226 A227 A233 | T186-C229 VanDerWaalsContact O-CB 3.28Å; T186-C229 WeakPolarHBondContact O-CB 3.3Å; T186-C229 PolarHBondContact O-SG 3.37Å; A224-C229 HydrophobicContact CB-CB 3.58Å; S226-C229 WeakPolarHBondContact O-CB 3.41Å; S226-C229 PolarHBondContact O-N 3.3Å; A227-C229 PolarHBondContact O-N 3.46Å; C229-A233 WeakPolarHBondContact O-CB 3.11Å; C229-A233 PolarHBondContact O-N 3.13Å; C229-A233 VanDerWaalsContact O-N 3.13Å |
| 230 | V | 94.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -52.7 | 171.5 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | I151 D153 I222 A224 S226 A227 E228 K232 A233 V234 | I151-V230 HydrophobicContact CB-CG2 4.18Å; I151-V230 HydrophobicContact CG2-CG2 4Å; D153-V230 HydrophobicContact CB-CG1 3.52Å; I222-V230 HydrophobicContact CB-CG1 4.4Å; I222-V230 HydrophobicContact CG2-CB 4.42Å; I222-V230 HydrophobicContact CG2-CG1 3.96Å; I222-V230 HydrophobicContact CG2-CG2 4.46Å; A224-V230 HydrophobicContact CB-CG2 3.61Å; S226-V230 PolarHBondContact O-N 3.14Å; A227-V230 WeakPolarHBondContact O-CA 3.24Å; A227-V230 WeakPolarHBondContact O-CB 3.43Å; A227-V230 PolarHBondContact O-N 3.18Å; E228-V230 VanDerWaalsContact C-N 3.34Å; V230-K232 VanDerWaalsContact C-N 3.29Å; V230-K232 PolarHBondContact O-N 2.97Å; V230-A233 CarbonylContact O-C 3.49Å; V230-A233 WeakPolarHBondContact O-CA 3.43Å; V230-A233 WeakPolarHBondContact O-CB 3.15Å; V230-A233 PolarHBondContact O-N 3.4Å; V230-V234 HydrophobicContact CG1-CG2 4.01Å; V230-V234 VanDerWaalsContact O-CG2 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.46Å; V230-V234 PolarHBondContact O-N 2.9Å |
| 231 | D | 95.2 | Very high | 93.5 | Very high | 80 Ų | 80 | 46 Ų | 46 | 43% | 0.428 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.2 | -41.3 | 179.3 | -67.6 | -28 | 0 | 0 | 0 | 112.9 | A227 E228 A233 K235 | A227-D231 PolarHBondContact O-N 3.23Å; E228-D231 PolarHBondContact O-N 3.44Å; D231-A233 VanDerWaalsContact C-N 3.34Å; D231-K235 WeakPolarHBondContact O-CB 3.48Å; D231-K235 WeakPolarHBondContact O-CD 3.21Å; D231-K235 VanDerWaalsContact O-CG 3.22Å; D231-K235 WeakPolarHBondContact O-CG 3.36Å; D231-K235 PolarHBondContact O-N 2.82Å |
| 232 | K | 95.8 | Very high | 93.4 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 177 | -72.1 | 161.4 | -164.1 | 167.1 | 0 | 111.4 | E228 V230 K236 | E228-K232 VanDerWaalsContact O-CB 3.29Å; E228-K232 WeakPolarHBondContact O-CB 3.47Å; E228-K232 WeakPolarHBondContact O-CD 3.36Å; E228-K232 WeakPolarHBondContact O-CG 3.44Å; E228-K232 PolarHBondContact O-N 2.79Å; E228-K232 IonicContact OE2-NZ 2.71Å; E228-K232 PolarHBondContact OE2-NZ 3.24Å; V230-K232 VanDerWaalsContact C-N 3.29Å; V230-K232 PolarHBondContact O-N 2.97Å; K232-K236 WeakPolarHBondContact O-CG 3.41Å; K232-K236 PolarHBondContact O-N 3.36Å |
| 233 | A | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.4 | -45.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | L182 T186 A188 I222 C229 V230 D231 K235 K236 I237 | L182-A233 HydrophobicContact CD2-CB 4.49Å; T186-A233 HydrophobicContact CG2-CB 3.8Å; A188-A233 HydrophobicContact CB-CB 3.85Å; I222-A233 HydrophobicContact CD1-CB 4.32Å; I222-A233 HydrophobicContact CG2-CB 3.86Å; C229-A233 WeakPolarHBondContact O-CB 3.11Å; C229-A233 PolarHBondContact O-N 3.13Å; C229-A233 VanDerWaalsContact O-N 3.13Å; V230-A233 CarbonylContact O-C 3.49Å; V230-A233 WeakPolarHBondContact O-CA 3.43Å; V230-A233 WeakPolarHBondContact O-CB 3.15Å; V230-A233 PolarHBondContact O-N 3.4Å; D231-A233 VanDerWaalsContact C-N 3.34Å; A233-K235 VanDerWaalsContact C-N 3.29Å; A233-K235 PolarHBondContact O-N 3.27Å; A233-K236 PolarHBondContact O-N 2.85Å; A233-I237 WeakPolarHBondContact O-CB 3.48Å; A233-I237 VanDerWaalsContact O-CG1 3.3Å; A233-I237 WeakPolarHBondContact O-CG1 3.2Å; A233-I237 PolarHBondContact O-N 3.45Å |
| 234 | V | 96 | Very high | 92.9 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.9 | -46.8 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | D153 V155 I222 V230 I237 N238 | D153-V234 VanDerWaalsContact OD2-CG2 3.23Å; D153-V234 WeakPolarHBondContact OD2-CG2 3.38Å; V155-V234 HydrophobicContact CG2-CB 4.25Å; V155-V234 HydrophobicContact CG2-CG1 3.97Å; V155-V234 HydrophobicContact CG2-CG2 3.93Å; I222-V234 HydrophobicContact CD1-CB 4.34Å; I222-V234 HydrophobicContact CD1-CG2 3.47Å; I222-V234 VanDerWaalsContact CD1-CG2 3.47Å; V230-V234 HydrophobicContact CG1-CG2 4.01Å; V230-V234 VanDerWaalsContact O-CG2 3.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.46Å; V230-V234 PolarHBondContact O-N 2.9Å; V234-I237 PolarHBondContact O-N 3.1Å; V234-N238 WeakPolarHBondContact CG1-ND2 3.4Å; V234-N238 WeakPolarHBondContact O-CB 3.22Å; V234-N238 PolarHBondContact O-N 3.41Å; V234-N238 PolarHBondContact O-ND2 3.25Å |
| 235 | K | 95.8 | Very high | 92.7 | Very high | 144 Ų | 144 | 55.3 Ų | 55.3 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 178.2 | -73 | 164.4 | -173.9 | 168.4 | 0 | 112.2 | D231 A233 E239 | D231-K235 WeakPolarHBondContact O-CB 3.48Å; D231-K235 WeakPolarHBondContact O-CD 3.21Å; D231-K235 VanDerWaalsContact O-CG 3.22Å; D231-K235 WeakPolarHBondContact O-CG 3.36Å; D231-K235 PolarHBondContact O-N 2.82Å; A233-K235 VanDerWaalsContact C-N 3.29Å; A233-K235 PolarHBondContact O-N 3.27Å; K235-E239 WeakPolarHBondContact O-CB 3.44Å; K235-E239 PolarHBondContact O-N 3.07Å |
| 236 | K | 94.6 | Very high | 92.5 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 178.8 | -71.2 | 176.3 | -174.7 | -179.1 | 0 | 112.8 | D185 T186 K232 A233 E239 I240 | D185-K236 IonicContact OD1-NZ 3.18Å; D185-K236 PolarHBondContact OD1-NZ 3.21Å; D185-K236 IonicContact OD2-NZ 2.71Å; D185-K236 PolarHBondContact OD2-NZ 2.95Å; T186-K236 HydrophobicContact CG2-CD 3.91Å; K232-K236 WeakPolarHBondContact O-CG 3.41Å; K232-K236 PolarHBondContact O-N 3.36Å; A233-K236 PolarHBondContact O-N 2.85Å; K236-E239 PolarHBondContact O-N 2.97Å; K236-I240 VanDerWaalsContact O-CG1 3.31Å; K236-I240 WeakPolarHBondContact O-CG1 3.25Å; K236-I240 PolarHBondContact O-N 3.42Å |
| 237 | I | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.7 | -47 | 177.1 | -69.4 | 163.3 | 0 | 0 | 0 | 110.6 | V155 L171 L182 V190 A220 I222 A233 V234 E239 I240 I241 | V155-I237 HydrophobicContact CB-CG2 4.31Å; V155-I237 HydrophobicContact CG1-CG2 3.98Å; L171-I237 HydrophobicContact CD2-CG1 4.49Å; L171-I237 HydrophobicContact CD2-CG2 4.18Å; L182-I237 HydrophobicContact CD1-CG1 3.91Å; L182-I237 HydrophobicContact CD2-CD1 4.36Å; L182-I237 HydrophobicContact CD2-CG1 4.3Å; V190-I237 HydrophobicContact CG1-CD1 3.86Å; V190-I237 HydrophobicContact CG2-CD1 4.16Å; A220-I237 HydrophobicContact CB-CD1 4.22Å; A220-I237 HydrophobicContact CB-CG2 4.21Å; I222-I237 HydrophobicContact CD1-CD1 3.61Å; I222-I237 HydrophobicContact CG1-CD1 3.87Å; A233-I237 WeakPolarHBondContact O-CB 3.48Å; A233-I237 VanDerWaalsContact O-CG1 3.3Å; A233-I237 WeakPolarHBondContact O-CG1 3.2Å; A233-I237 PolarHBondContact O-N 3.45Å; V234-I237 PolarHBondContact O-N 3.1Å; I237-E239 VanDerWaalsContact C-N 3.28Å; I237-E239 PolarHBondContact O-N 3.35Å; I237-I240 PolarHBondContact O-N 2.89Å; I237-I241 HydrophobicContact CG2-CD1 3.78Å; I237-I241 VanDerWaalsContact O-CG1 3.28Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 2.68Å |
| 238 | N | 94.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -35.2 | 175.5 | -78.6 | -64.7 | 0 | 0 | 0 | 112.5 | V234 I241 R242 | V234-N238 WeakPolarHBondContact CG1-ND2 3.4Å; V234-N238 WeakPolarHBondContact O-CB 3.22Å; V234-N238 PolarHBondContact O-N 3.41Å; V234-N238 PolarHBondContact O-ND2 3.25Å; N238-I241 PolarHBondContact O-N 3.32Å; N238-R242 WeakPolarHBondContact O-CB 3.44Å; N238-R242 PolarHBondContact O-N 2.84Å |
| 239 | E | 92.8 | Very high | 90.9 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 33% | 0.327 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 175.8 | -175.8 | 56.3 | -158.6 | 0 | 0 | 112.4 | K235 K236 I237 I241 R242 Q243 | K235-E239 WeakPolarHBondContact O-CB 3.44Å; K235-E239 PolarHBondContact O-N 3.07Å; K236-E239 PolarHBondContact O-N 2.97Å; I237-E239 VanDerWaalsContact C-N 3.28Å; I237-E239 PolarHBondContact O-N 3.35Å; E239-I241 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 2.71Å; E239-R242 PolarHBondContact O-N 3.19Å; E239-R242 IonicContact OE2-CZ 3.4Å; E239-R242 IonicContact OE2-NH1 2.74Å; E239-R242 PolarHBondContact OE2-NH1 2.89Å; E239-Q243 WeakPolarHBondContact O-CB 3.28Å; E239-Q243 VanDerWaalsContact O-CG 3.29Å; E239-Q243 WeakPolarHBondContact O-CG 3.19Å; E239-Q243 PolarHBondContact O-N 3.32Å; E239-Q243 PolarHBondContact OE1-NE2 3.07Å |
| 240 | I | 92 | Very high | 89.8 | Confident | 20 Ų | 20 | 62 Ų | 62 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 173.3 | -66.6 | 164.2 | 0 | 0 | 0 | 111.2 | L170 L171 L182 K236 I237 G244 L254 | L170-I240 HydrophobicContact CD2-CG2 3.67Å; L170-I240 HydrophobicContact CG-CG2 3.74Å; L171-I240 HydrophobicContact CD2-CB 4.05Å; L171-I240 HydrophobicContact CD2-CD1 4.26Å; L171-I240 HydrophobicContact CD2-CG2 3.74Å; L171-I240 HydrophobicContact CG-CG2 4.33Å; L182-I240 HydrophobicContact CD1-CD1 3.81Å; K236-I240 VanDerWaalsContact O-CG1 3.31Å; K236-I240 WeakPolarHBondContact O-CG1 3.25Å; K236-I240 PolarHBondContact O-N 3.42Å; I237-I240 PolarHBondContact O-N 2.89Å; I240-G244 PolarHBondContact O-N 3.25Å; I240-L254 HydrophobicContact CD1-CD2 4.48Å; I240-L254 HydrophobicContact CG1-CD2 3.97Å; I240-L254 HydrophobicContact CG2-CD2 4.02Å |
| 241 | I | 92.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 5% | 0.051 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 174.8 | -66.5 | 163.1 | 0 | 0 | 0 | 110.3 | V155 I157 P158 F167 I237 N238 E239 G244 I245 | V155-I241 HydrophobicContact CG1-CD1 4.19Å; I157-I241 HydrophobicContact CG1-CD1 3.92Å; P158-I241 HydrophobicContact CG-CG2 4.29Å; F167-I241 HydrophobicContact CD1-CG2 4.45Å; F167-I241 HydrophobicContact CE1-CG2 4.15Å; I237-I241 HydrophobicContact CG2-CD1 3.78Å; I237-I241 VanDerWaalsContact O-CG1 3.28Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 2.68Å; N238-I241 PolarHBondContact O-N 3.32Å; E239-I241 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 2.71Å; I241-G244 WeakPolarHBondContact O-CA 3.47Å; I241-G244 PolarHBondContact O-N 3.12Å; I241-G244 VanDerWaalsContact O-N 3.11Å; I241-I245 HydrophobicContact CG2-CD1 3.9Å; I241-I245 WeakPolarHBondContact O-CG1 3.49Å; I241-I245 PolarHBondContact O-N 2.94Å; I241-I245 VanDerWaalsContact O-N 3.11Å |
| 242 | R | 90.7 | Very high | 88.7 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55 | -54.6 | 174.6 | 176.6 | -177.1 | -73.5 | 112.9 | 4.1 | 111.3 | N238 E239 G244 I245 E246 | N238-R242 WeakPolarHBondContact O-CB 3.44Å; N238-R242 PolarHBondContact O-N 2.84Å; E239-R242 PolarHBondContact O-N 3.19Å; E239-R242 IonicContact OE2-CZ 3.4Å; E239-R242 IonicContact OE2-NH1 2.74Å; E239-R242 PolarHBondContact OE2-NH1 2.89Å; R242-G244 PolarHBondContact O-N 3.13Å; R242-I245 PolarHBondContact O-N 2.88Å; R242-E246 WeakPolarHBondContact CD-OE1 3.33Å; R242-E246 WeakPolarHBondContact CD-OE2 3.36Å; R242-E246 HydrophobicContact CG-CG 3.97Å; R242-E246 VanDerWaalsContact CG-OE1 3.25Å; R242-E246 WeakPolarHBondContact CG-OE1 3.34Å; R242-E246 VanDerWaalsContact CG-OE2 3.29Å; R242-E246 WeakPolarHBondContact CG-OE2 3.23Å; R242-E246 IonicContact NE-OE1 3.35Å; R242-E246 PolarHBondContact O-N 2.89Å |
| 243 | Q | 89.5 | Confident | 88.4 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.2 | -27.2 | 179 | -69.7 | 174.6 | 13.1 | 0 | 0 | 112.2 | E239 I247 N252 | E239-Q243 WeakPolarHBondContact O-CB 3.28Å; E239-Q243 VanDerWaalsContact O-CG 3.29Å; E239-Q243 WeakPolarHBondContact O-CG 3.19Å; E239-Q243 PolarHBondContact O-N 3.32Å; E239-Q243 PolarHBondContact OE1-NE2 3.07Å; Q243-I247 HydrophobicContact CB-CD1 4.29Å; Q243-I247 HydrophobicContact CG-CD1 4.26Å; Q243-I247 WeakPolarHBondContact O-CB 3.45Å; Q243-I247 PolarHBondContact O-N 3.23Å; Q243-N252 PolarHBondContact O-ND2 2.83Å |
| 244 | G | 88.4 | Confident | 88.1 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69 | -34.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I165 I240 I241 R242 | I165-G244 WeakPolarHBondContact CD1-O 3.33Å; I240-G244 PolarHBondContact O-N 3.25Å; I241-G244 WeakPolarHBondContact O-CA 3.47Å; I241-G244 PolarHBondContact O-N 3.12Å; I241-G244 VanDerWaalsContact O-N 3.11Å; R242-G244 PolarHBondContact O-N 3.13Å |
| 245 | I | 88.5 | Confident | 87.8 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 33% | 0.328 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -90 | -47.1 | -176.8 | -63.3 | 166.1 | 0 | 0 | 0 | 111.8 | P158 F167 I241 R242 | P158-I245 HydrophobicContact CG-CD1 3.86Å; F167-I245 HydrophobicContact CE1-CD1 4.26Å; F167-I245 HydrophobicContact CE1-CG1 3.8Å; F167-I245 HydrophobicContact CZ-CD1 4.18Å; F167-I245 HydrophobicContact CZ-CG1 3.75Å; I241-I245 HydrophobicContact CG2-CD1 3.9Å; I241-I245 WeakPolarHBondContact O-CG1 3.49Å; I241-I245 PolarHBondContact O-N 2.94Å; I241-I245 VanDerWaalsContact O-N 3.11Å; R242-I245 PolarHBondContact O-N 2.88Å |
| 246 | E | 86.1 | Confident | 87.5 | Confident | 137 Ų | 137 | 69.8 Ų | 69.8 | 64% | 0.64 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -77.3 | -27.8 | -174 | -68 | 178.2 | -176.3 | 0 | 0 | 112.8 | R242 | R242-E246 WeakPolarHBondContact CD-OE1 3.33Å; R242-E246 WeakPolarHBondContact CD-OE2 3.36Å; R242-E246 HydrophobicContact CG-CG 3.97Å; R242-E246 VanDerWaalsContact CG-OE1 3.25Å; R242-E246 WeakPolarHBondContact CG-OE1 3.34Å; R242-E246 VanDerWaalsContact CG-OE2 3.29Å; R242-E246 WeakPolarHBondContact CG-OE2 3.23Å; R242-E246 IonicContact NE-OE1 3.35Å; R242-E246 PolarHBondContact O-N 2.89Å |
| 247 | I | 84 | Confident | 87.4 | Confident | 58 Ų | 58 | 68.5 Ų | 68.5 | 30% | 0.297 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -112.8 | 112.9 | -174.9 | -48.6 | 176.4 | 0 | 0 | 0 | 109.6 | Q243 Q251 N252 | Q243-I247 HydrophobicContact CB-CD1 4.29Å; Q243-I247 HydrophobicContact CG-CD1 4.26Å; Q243-I247 WeakPolarHBondContact O-CB 3.45Å; Q243-I247 PolarHBondContact O-N 3.23Å; I247-Q251 HydrophobicContact CG2-CB 3.57Å; I247-N252 HydrophobicContact CB-CB 4.44Å; I247-N252 HydrophobicContact CG2-CB 4.15Å |
| 248 | P | 77.7 | Confident | 87.3 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | trans | -63.6 | 157.2 | -177.7 | 26.7 | -34.8 | 0 | 0 | 0 | 112.1 | S250 Q251 N252 | P248-S250 PolarHBondContact O-N 3.34Å; P248-Q251 HydrophobicContact CG-CG 4.48Å; P248-Q251 PolarHBondContact O-N 2.92Å; P248-N252 PolarHBondContact O-N 3.32Å | ||
| 249 | E | 75.4 | Confident | 87.1 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -30.2 | -163.3 | -48.3 | -158 | 136.5 | 0 | 0 | 115.8 | R255 | E249-R255 IonicContact OE1-CZ 2.72Å; E249-R255 IonicContact OE1-NH1 2.57Å; E249-R255 PolarHBondContact OE1-NH1 2.91Å; E249-R255 IonicContact OE1-NH2 3.8Å; E249-R255 PolarHBondContact OE1-NH2 3.39Å; E249-R255 IonicContact OE2-CZ 3.67Å; E249-R255 IonicContact OE2-NH1 2.7Å; E249-R255 IonicContact OE2-NH2 2.67Å; E249-R255 PolarHBondContact OE2-NH2 2.86Å |
| 250 | S | 71.9 | Confident | 87 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 69% | 0.692 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -20.4 | -178.6 | 56 | 0 | 0 | 0 | 0 | 114.5 | P248 | P248-S250 PolarHBondContact O-N 3.34Š|
| 251 | Q | 79.8 | Confident | 87 | Confident | 134 Ų | 134 | 74.2 Ų | 74.2 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -13.6 | -178 | -65.1 | -178.1 | 5.9 | 0 | 0 | 112.9 | I247 P248 D253 | I247-Q251 HydrophobicContact CG2-CB 3.57Å; P248-Q251 HydrophobicContact CG-CG 4.48Å; P248-Q251 PolarHBondContact O-N 2.92Å; Q251-D253 PolarHBondContact O-N 2.96Å; Q251-D253 VanDerWaalsContact O-N 3.1Å |
| 252 | N | 86.7 | Confident | 87.1 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.027 | 38% | 0.381 | C | S | . | . | trans | -73.8 | 101.7 | -179.5 | -174.4 | -60.1 | 0 | 0 | 0 | 111.3 | Q243 I247 P248 L254 R255 R256 | Q243-N252 PolarHBondContact O-ND2 2.83Å; I247-N252 HydrophobicContact CB-CB 4.44Å; I247-N252 HydrophobicContact CG2-CB 4.15Å; P248-N252 PolarHBondContact O-N 3.32Å; N252-L254 VanDerWaalsContact C-N 3.33Å; N252-L254 PolarHBondContact O-N 3.41Å; N252-L254 PolarHBondContact OD1-N 3.3Å; N252-R255 HydrophobicContact CB-CB 4.06Å; N252-R255 PolarHBondContact O-N 3.46Å; N252-R255 WeakPolarHBondContact OD1-CB 3.43Å; N252-R255 PolarHBondContact OD1-N 3.27Å; N252-R256 PolarHBondContact O-N 2.73Å | ||
| 253 | D | 89.8 | Confident | 87.1 | Confident | 119 Ų | 119 | 72.2 Ų | 72.2 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62 | -34.1 | -177.2 | -83.1 | -42.8 | 0 | 0 | 0 | 113.8 | Q251 R256 A257 | Q251-D253 PolarHBondContact O-N 2.96Å; Q251-D253 VanDerWaalsContact O-N 3.1Å; D253-R256 PolarHBondContact O-N 3.38Å; D253-A257 WeakPolarHBondContact O-CB 3.27Å; D253-A257 PolarHBondContact O-N 2.91Å |
| 254 | L | 88.8 | Confident | 87.2 | Confident | 48 Ų | 48 | 74.7 Ų | 74.7 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 176.1 | 176.1 | 62.6 | 0 | 0 | 0 | 110.8 | L170 I240 N252 R256 A257 Q258 | L170-L254 HydrophobicContact CD1-CD2 4.13Å; L170-L254 HydrophobicContact CD1-CG 4.15Å; L170-L254 HydrophobicContact CG-CD2 4.42Å; I240-L254 HydrophobicContact CD1-CD2 4.48Å; I240-L254 HydrophobicContact CG1-CD2 3.97Å; I240-L254 HydrophobicContact CG2-CD2 4.02Å; N252-L254 VanDerWaalsContact C-N 3.33Å; N252-L254 PolarHBondContact O-N 3.41Å; N252-L254 PolarHBondContact OD1-N 3.3Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.47Å; L254-A257 PolarHBondContact O-N 3.01Å; L254-Q258 WeakPolarHBondContact O-CB 3.43Å; L254-Q258 WeakPolarHBondContact O-CG 3.3Å; L254-Q258 PolarHBondContact O-N 3.19Å |
| 255 | R | 89 | Confident | 87.3 | Confident | 57 Ų | 57 | 78.4 Ų | 78.4 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 175.6 | -172.7 | 173.8 | 176.2 | 155.8 | -7.4 | 111.2 | L170 E249 N252 Q258 L259 | L170-R255 HydrophobicContact CD1-CB 3.91Å; E249-R255 IonicContact OE1-CZ 2.72Å; E249-R255 IonicContact OE1-NH1 2.57Å; E249-R255 PolarHBondContact OE1-NH1 2.91Å; E249-R255 IonicContact OE1-NH2 3.8Å; E249-R255 PolarHBondContact OE1-NH2 3.39Å; E249-R255 IonicContact OE2-CZ 3.67Å; E249-R255 IonicContact OE2-NH1 2.7Å; E249-R255 IonicContact OE2-NH2 2.67Å; E249-R255 PolarHBondContact OE2-NH2 2.86Å; N252-R255 HydrophobicContact CB-CB 4.06Å; N252-R255 PolarHBondContact O-N 3.46Å; N252-R255 WeakPolarHBondContact OD1-CB 3.43Å; N252-R255 PolarHBondContact OD1-N 3.27Å; R255-Q258 PolarHBondContact O-N 3.16Å; R255-L259 HydrophobicContact CG-CD1 4.16Å; R255-L259 WeakPolarHBondContact O-CB 3.26Å; R255-L259 VanDerWaalsContact O-CG 3.3Å; R255-L259 WeakPolarHBondContact O-CG 3.31Å; R255-L259 PolarHBondContact O-N 3.33Å |
| 256 | R | 90.1 | Very high | 87.5 | Confident | 147 Ų | 147 | 79.1 Ų | 79.1 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 176.5 | -168.5 | 177.9 | -175.6 | -177.7 | 4.2 | 112.2 | N252 D253 L254 R260 | N252-R256 PolarHBondContact O-N 2.73Å; D253-R256 PolarHBondContact O-N 3.38Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.47Å; R256-R260 WeakPolarHBondContact O-CB 3.35Å; R256-R260 PolarHBondContact O-N 2.85Å |
| 257 | A | 91.7 | Very high | 87.6 | Confident | 46 Ų | 46 | 76 Ų | 76 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D253 L254 L259 R260 E261 | D253-A257 WeakPolarHBondContact O-CB 3.27Å; D253-A257 PolarHBondContact O-N 2.91Å; L254-A257 PolarHBondContact O-N 3.01Å; A257-L259 PolarHBondContact O-N 2.92Å; A257-R260 WeakPolarHBondContact O-CB 3.48Å; A257-R260 PolarHBondContact O-N 3.37Å; A257-E261 WeakPolarHBondContact O-CB 3.3Å; A257-E261 PolarHBondContact O-N 2.72Å |
| 258 | Q | 93.8 | Very high | 87.9 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 8% | 0.075 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.2 | -75.9 | 178.9 | -11.6 | 0 | 0 | 113 | L170 T178 L254 R255 E261 L262 | L170-Q258 PolarHBondContact O-NE2 2.81Å; T178-Q258 PolarHBondContact OG1-NE2 3.03Å; L254-Q258 WeakPolarHBondContact O-CB 3.43Å; L254-Q258 WeakPolarHBondContact O-CG 3.3Å; L254-Q258 PolarHBondContact O-N 3.19Å; R255-Q258 PolarHBondContact O-N 3.16Å; Q258-E261 PolarHBondContact O-N 2.86Å; Q258-L262 VanDerWaalsContact O-CB 3.26Å; Q258-L262 WeakPolarHBondContact O-CB 3.49Å; Q258-L262 PolarHBondContact O-N 3.35Å |
| 259 | L | 90.7 | Very high | 87.8 | Confident | 98 Ų | 98 | 77 Ų | 77 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 177.3 | -73.4 | 171.3 | 0 | 0 | 0 | 112 | R255 A257 A263 | R255-L259 HydrophobicContact CG-CD1 4.16Å; R255-L259 WeakPolarHBondContact O-CB 3.26Å; R255-L259 VanDerWaalsContact O-CG 3.3Å; R255-L259 WeakPolarHBondContact O-CG 3.31Å; R255-L259 PolarHBondContact O-N 3.33Å; A257-L259 PolarHBondContact O-N 2.92Å; L259-A263 WeakPolarHBondContact O-CB 3.31Å; L259-A263 PolarHBondContact O-N 3.48Å |
| 260 | R | 91.3 | Very high | 87.9 | Confident | 108 Ų | 108 | 81 Ų | 81 | 41% | 0.408 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -54.4 | 169.7 | 173.7 | -173.9 | -75.9 | 120.8 | -3.7 | 110.9 | R256 A257 L262 A263 L264 L269 E271 | R256-R260 WeakPolarHBondContact O-CB 3.35Å; R256-R260 PolarHBondContact O-N 2.85Å; A257-R260 WeakPolarHBondContact O-CB 3.48Å; A257-R260 PolarHBondContact O-N 3.37Å; R260-L262 VanDerWaalsContact C-N 3.3Å; R260-L262 PolarHBondContact O-N 3.06Å; R260-A263 PolarHBondContact O-N 3.23Å; R260-A263 VanDerWaalsContact O-N 3.15Å; R260-L264 PolarHBondContact O-N 3.47Å; R260-L269 HydrophobicContact CG-CD2 3.82Å; R260-E271 IonicContact CZ-OE1 3.61Å; R260-E271 IonicContact NE-OE1 2.66Å; R260-E271 PolarHBondContact NE-OE1 3.35Å; R260-E271 IonicContact NE-OE2 2.73Å; R260-E271 IonicContact NH2-OE1 3.83Å; R260-E271 PolarHBondContact NH2-OE1 2.9Å |
| 261 | E | 91.8 | Very high | 87.6 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60 | -40 | -180 | -179 | -171.2 | 172.3 | 0 | 0 | 111.5 | P174 N177 A257 Q258 A263 L264 L265 | P174-E261 HydrophobicContact CB-CG 4.4Å; P174-E261 HydrophobicContact CG-CB 3.94Å; P174-E261 HydrophobicContact CG-CG 3.74Å; P174-E261 VanDerWaalsContact CG-OE2 3.31Å; P174-E261 WeakPolarHBondContact CG-OE2 3.22Å; N177-E261 PolarHBondContact ND2-OE1 3.18Å; A257-E261 WeakPolarHBondContact O-CB 3.3Å; A257-E261 PolarHBondContact O-N 2.72Å; Q258-E261 PolarHBondContact O-N 2.86Å; E261-A263 PolarHBondContact O-N 2.9Å; E261-L264 PolarHBondContact O-N 2.9Å; E261-L265 HydrophobicContact CG-CD1 3.91Å; E261-L265 HydrophobicContact CG-CG 4.38Å; E261-L265 WeakPolarHBondContact O-CB 3.39Å; E261-L265 VanDerWaalsContact O-CG 3.29Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 3.25Å |
| 262 | L | 93.2 | Very high | 86.5 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 174.7 | -175.4 | 60.1 | 0 | 0 | 0 | 112.2 | P174 Q258 R260 N266 | P174-L262 HydrophobicContact CB-CB 4Å; P174-L262 HydrophobicContact CB-CD1 4.07Å; Q258-L262 VanDerWaalsContact O-CB 3.26Å; Q258-L262 WeakPolarHBondContact O-CB 3.49Å; Q258-L262 PolarHBondContact O-N 3.35Å; R260-L262 VanDerWaalsContact C-N 3.3Å; R260-L262 PolarHBondContact O-N 3.06Å; L262-N266 VanDerWaalsContact O-CB 3.31Å; L262-N266 WeakPolarHBondContact O-CB 3.42Å; L262-N266 PolarHBondContact O-N 3.01Å; L262-N266 PolarHBondContact O-ND2 3.25Å |
| 263 | A | 92.1 | Very high | 84.9 | Confident | 20 Ų | 20 | 84.7 Ų | 84.7 | 17% | 0.165 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.7 | -35 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L259 R260 E261 N266 G267 T268 L269 | L259-A263 WeakPolarHBondContact O-CB 3.31Å; L259-A263 PolarHBondContact O-N 3.48Å; R260-A263 PolarHBondContact O-N 3.23Å; R260-A263 VanDerWaalsContact O-N 3.15Å; E261-A263 PolarHBondContact O-N 2.9Å; A263-N266 PolarHBondContact O-N 3.03Å; A263-G267 PolarHBondContact O-N 3.48Å; A263-G267 VanDerWaalsContact O-N 3.08Å; A263-T268 PolarHBondContact O-N 3.15Å; A263-T268 PolarHBondContact O-OG1 2.9Å; A263-L269 HydrophobicContact CB-CB 3.8Å; A263-L269 HydrophobicContact CB-CD1 4.02Å; A263-L269 HydrophobicContact CB-CG 4.4Å; A263-L269 PolarHBondContact O-N 3.04Å |
| 264 | L | 91.1 | Very high | 83.4 | Confident | 111 Ų | 111 | 81 Ų | 81 | 58% | 0.581 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.6 | -51.2 | 173.8 | -166.8 | 156.1 | 0 | 0 | 0 | 110.5 | R260 E261 N266 G267 L269 | R260-L264 PolarHBondContact O-N 3.47Å; E261-L264 PolarHBondContact O-N 2.9Å; L264-N266 PolarHBondContact O-N 3.45Å; L264-G267 PolarHBondContact O-N 3.19Å; L264-L269 HydrophobicContact CB-CD2 3.72Å; L264-L269 HydrophobicContact CD1-CD2 4.26Å; L264-L269 HydrophobicContact CG-CD2 4.29Å |
| 265 | L | 90.7 | Very high | 82.1 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 45% | 0.45 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -18.7 | 179 | -69.6 | 172.5 | 0 | 0 | 0 | 114 | P174 R175 E261 | P174-L265 HydrophobicContact CB-CD1 4.25Å; R175-L265 HydrophobicContact CG-CD1 4.06Å; E261-L265 HydrophobicContact CG-CD1 3.91Å; E261-L265 HydrophobicContact CG-CG 4.38Å; E261-L265 WeakPolarHBondContact O-CB 3.39Å; E261-L265 VanDerWaalsContact O-CG 3.29Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 3.25Å |
| 266 | N | 92.8 | Very high | 80.6 | Confident | 79 Ų | 79 | 86.1 Ų | 86.1 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 0.6 | 173.7 | -66.7 | -21.6 | 0 | 0 | 0 | 112.9 | R175 L262 A263 L264 T268 | R175-N266 PolarHBondContact NH2-OD1 3.44Å; L262-N266 VanDerWaalsContact O-CB 3.31Å; L262-N266 WeakPolarHBondContact O-CB 3.42Å; L262-N266 PolarHBondContact O-N 3.01Å; L262-N266 PolarHBondContact O-ND2 3.25Å; A263-N266 PolarHBondContact O-N 3.03Å; L264-N266 PolarHBondContact O-N 3.45Å; N266-T268 HydrophobicContact CB-CG2 4.47Å; N266-T268 PolarHBondContact O-N 2.89Å |
| 267 | G | 87.9 | Confident | 79.2 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 74% | 0.742 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 10.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A263 L264 | A263-G267 PolarHBondContact O-N 3.48Å; A263-G267 VanDerWaalsContact O-N 3.08Å; L264-G267 PolarHBondContact O-N 3.19Å |
| 268 | T | 89.8 | Confident | 77.8 | Confident | 97 Ų | 97 | 88.6 Ų | 88.6 | 60% | 0.595 | 46% | 0.461 | S | S | * | . | trans | -92.8 | -7.2 | -176.9 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | A263 N266 R270 | A263-T268 PolarHBondContact O-N 3.15Å; A263-T268 PolarHBondContact O-OG1 2.9Å; N266-T268 HydrophobicContact CB-CG2 4.47Å; N266-T268 PolarHBondContact O-N 2.89Å; T268-R270 PolarHBondContact O-N 3.06Å | ||
| 269 | L | 76.4 | Confident | 76.6 | Confident | 54 Ų | 54 | 95.6 Ų | 95.6 | 28% | 0.283 | 49% | 0.487 | S | S | . | . | trans | -78.5 | 100.6 | -174.4 | -173.3 | 62.4 | 0 | 0 | 0 | 113 | R260 A263 L264 E271 | R260-L269 HydrophobicContact CG-CD2 3.82Å; A263-L269 HydrophobicContact CB-CB 3.8Å; A263-L269 HydrophobicContact CB-CD1 4.02Å; A263-L269 HydrophobicContact CB-CG 4.4Å; A263-L269 PolarHBondContact O-N 3.04Å; L264-L269 HydrophobicContact CB-CD2 3.72Å; L264-L269 HydrophobicContact CD1-CD2 4.26Å; L264-L269 HydrophobicContact CG-CD2 4.29Å; L269-E271 HydrophobicContact CD1-CG 3.73Å; L269-E271 HydrophobicContact CD2-CB 4.48Å; L269-E271 HydrophobicContact CD2-CG 4.14Å; L269-E271 WeakPolarHBondContact CD2-OE2 3.43Å; L269-E271 HydrophobicContact CG-CB 4.08Å; L269-E271 HydrophobicContact CG-CG 3.77Å; L269-E271 PolarHBondContact O-N 3.3Å | ||
| 270 | R | 77.1 | Confident | 75.4 | Confident | 183 Ų | 183 | 93.6 Ų | 93.6 | 69% | 0.691 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 30.8 | 177.9 | -65.2 | 172.1 | 176.6 | -98.6 | 3.3 | 114.6 | T268 H272 E273 G274 | T268-R270 PolarHBondContact O-N 3.06Å; R270-H272 VanDerWaalsContact C-N 3.31Å; R270-H272 PolarHBondContact O-N 3.35Å; R270-E273 HydrophobicContact CB-CB 4.07Å; R270-E273 VanDerWaalsContact CD-OE2 3.27Å; R270-E273 WeakPolarHBondContact CD-OE2 3.48Å; R270-E273 WeakPolarHBondContact CG-OE2 3.27Å; R270-E273 IonicContact CZ-OE2 2.71Å; R270-E273 IonicContact NE-OE2 3.72Å; R270-E273 IonicContact NH1-OE1 2.87Å; R270-E273 IonicContact NH1-OE2 3.87Å; R270-E273 PolarHBondContact NH1-OE2 2.94Å; R270-E273 WeakPolarHBondContact O-CB 3.29Å; R270-E273 PolarHBondContact O-N 2.95Å; R270-G274 PolarHBondContact O-N 3.22Å |
| 271 | E | 65.4 | Low | 74 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -35.4 | -177.4 | -87.5 | -176.6 | 162.7 | 0 | 0 | 112.9 | R260 L269 E273 G274 L275 | R260-E271 IonicContact CZ-OE1 3.61Å; R260-E271 IonicContact NE-OE1 2.66Å; R260-E271 PolarHBondContact NE-OE1 3.35Å; R260-E271 IonicContact NE-OE2 2.73Å; R260-E271 IonicContact NH2-OE1 3.83Å; R260-E271 PolarHBondContact NH2-OE1 2.9Å; L269-E271 HydrophobicContact CD1-CG 3.73Å; L269-E271 HydrophobicContact CD2-CB 4.48Å; L269-E271 HydrophobicContact CD2-CG 4.14Å; L269-E271 WeakPolarHBondContact CD2-OE2 3.43Å; L269-E271 HydrophobicContact CG-CB 4.08Å; L269-E271 HydrophobicContact CG-CG 3.77Å; L269-E271 PolarHBondContact O-N 3.3Å; E271-E273 VanDerWaalsContact C-N 3.28Å; E271-E273 PolarHBondContact O-N 3.39Å; E271-G274 PolarHBondContact O-N 2.99Å; E271-L275 PolarHBondContact O-N 2.99Å |
| 272 | H | 55.7 | Low | 72.7 | Confident | 133 Ų | 133 | 94 Ų | 94 | 62% | 0.616 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.7 | -28.9 | 173.7 | -167.1 | -109.7 | 0 | 0 | 0 | 112.7 | R270 M276 | R270-H272 VanDerWaalsContact C-N 3.31Å; R270-H272 PolarHBondContact O-N 3.35Å; H272-M276 VanDerWaalsContact CE1-CE 3.43Å; H272-M276 WeakPolarHBondContact CE1-CE 3.41Å; H272-M276 VanDerWaalsContact CE1-CG 3.43Å; H272-M276 WeakPolarHBondContact CE1-CG 3.23Å; H272-M276 WeakPolarHBondContact NE2-CE 3.25Å; H272-M276 VanDerWaalsContact O-CB 3.25Å; H272-M276 WeakPolarHBondContact O-CB 3.35Å; H272-M276 WeakPolarHBondContact O-CG 3.35Å; H272-M276 PolarHBondContact O-N 3.44Å |
| 273 | E | 54.2 | Low | 71.4 | Confident | 89 Ų | 89 | 96.4 Ų | 96.4 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 179.1 | -162 | -179.5 | 162.2 | 0 | 0 | 111.2 | R270 E271 K277 | R270-E273 HydrophobicContact CB-CB 4.07Å; R270-E273 VanDerWaalsContact CD-OE2 3.27Å; R270-E273 WeakPolarHBondContact CD-OE2 3.48Å; R270-E273 WeakPolarHBondContact CG-OE2 3.27Å; R270-E273 IonicContact CZ-OE2 2.71Å; R270-E273 IonicContact NE-OE2 3.72Å; R270-E273 IonicContact NH1-OE1 2.87Å; R270-E273 IonicContact NH1-OE2 3.87Å; R270-E273 PolarHBondContact NH1-OE2 2.94Å; R270-E273 WeakPolarHBondContact O-CB 3.29Å; R270-E273 PolarHBondContact O-N 2.95Å; E271-E273 VanDerWaalsContact C-N 3.28Å; E271-E273 PolarHBondContact O-N 3.39Å; E273-K277 WeakPolarHBondContact O-CB 3.43Å; E273-K277 PolarHBondContact O-N 3.25Å |
| 274 | G | 58.2 | Low | 69.9 | Low | 42 Ų | 42 | 97.7 Ų | 97.7 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R270 E271 K277 L278 | R270-G274 PolarHBondContact O-N 3.22Å; E271-G274 PolarHBondContact O-N 2.99Å; G274-K277 PolarHBondContact O-N 3.26Å; G274-L278 PolarHBondContact O-N 3.42Å |
| 275 | L | 60.6 | Low | 68.3 | Low | 124 Ų | 124 | 99.8 Ų | 99.8 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72 | -38.5 | 179.5 | -164.7 | 69 | 0 | 0 | 0 | 112.2 | E271 K277 L278 R279 | E271-L275 PolarHBondContact O-N 2.99Å; L275-K277 VanDerWaalsContact C-N 3.34Å; L275-L278 PolarHBondContact O-N 3.34Å; L275-R279 WeakPolarHBondContact O-CB 3.12Å; L275-R279 PolarHBondContact O-N 3.08Å |
| 276 | M | 59.1 | Low | 67 | Low | 88 Ų | 88 | 99.4 Ų | 99.4 | 43% | 0.433 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 173 | -80 | -64.5 | 177.6 | 0 | 0 | 112.6 | H272 R279 A280 | H272-M276 VanDerWaalsContact CE1-CE 3.43Å; H272-M276 WeakPolarHBondContact CE1-CE 3.41Å; H272-M276 VanDerWaalsContact CE1-CG 3.43Å; H272-M276 WeakPolarHBondContact CE1-CG 3.23Å; H272-M276 WeakPolarHBondContact NE2-CE 3.25Å; H272-M276 VanDerWaalsContact O-CB 3.25Å; H272-M276 WeakPolarHBondContact O-CB 3.35Å; H272-M276 WeakPolarHBondContact O-CG 3.35Å; H272-M276 PolarHBondContact O-N 3.44Å; M276-R279 PolarHBondContact O-N 3.36Å; M276-A280 WeakPolarHBondContact O-CB 3.16Å; M276-A280 PolarHBondContact O-N 3.41Å |
| 277 | K | 59.5 | Low | 65.5 | Low | 127 Ų | 127 | 100.2 Ų | 100.2 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.4 | -36.5 | 176.3 | -161.3 | 164.6 | -168.3 | 165.8 | 0 | 111.9 | E273 G274 L275 M281 | E273-K277 WeakPolarHBondContact O-CB 3.43Å; E273-K277 PolarHBondContact O-N 3.25Å; G274-K277 PolarHBondContact O-N 3.26Å; L275-K277 VanDerWaalsContact C-N 3.34Å; K277-M281 VanDerWaalsContact O-CB 3.31Å; K277-M281 WeakPolarHBondContact O-CB 3.43Å; K277-M281 VanDerWaalsContact O-CG 3.23Å; K277-M281 WeakPolarHBondContact O-CG 3.3Å; K277-M281 PolarHBondContact O-N 3.03Å |
| 278 | L | 63.3 | Low | 64.2 | Low | 118 Ų | 118 | 99.6 Ų | 99.6 | 62% | 0.618 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 167.7 | -82 | 167.1 | 0 | 0 | 0 | 112.1 | G274 L275 M281 A282 | G274-L278 PolarHBondContact O-N 3.42Å; L275-L278 PolarHBondContact O-N 3.34Å; L278-M281 PolarHBondContact O-N 3.01Å; L278-A282 PolarHBondContact O-N 3.48Å |
| 279 | R | 66.7 | Low | 63.1 | Low | 164 Ų | 164 | 97.6 Ų | 97.6 | 62% | 0.619 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -50.2 | 175.6 | -172.4 | 175.8 | -174.9 | 133.9 | 6 | 111.1 | L275 M276 M281 A282 E283 | L275-R279 WeakPolarHBondContact O-CB 3.12Å; L275-R279 PolarHBondContact O-N 3.08Å; M276-R279 PolarHBondContact O-N 3.36Å; R279-M281 VanDerWaalsContact C-N 3.29Å; R279-M281 PolarHBondContact O-N 2.88Å; R279-A282 PolarHBondContact O-N 3.32Å; R279-E283 WeakPolarHBondContact O-CB 3.31Å; R279-E283 PolarHBondContact O-N 2.95Å |
| 280 | A | 65.6 | Low | 62.6 | Low | 55 Ų | 55 | 100.4 Ų | 100.4 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -31.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M276 A284 | M276-A280 WeakPolarHBondContact O-CB 3.16Å; M276-A280 PolarHBondContact O-N 3.41Å; A280-A284 WeakPolarHBondContact O-CB 3.43Å; A280-A284 PolarHBondContact O-N 3.42Å |
| 281 | M | 62.3 | Low | 62.4 | Low | 113 Ų | 113 | 99.9 Ų | 99.9 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.7 | -42.7 | 172 | -79.8 | 176.9 | 168.4 | 0 | 0 | 112.3 | K277 L278 R279 A284 Q285 | K277-M281 VanDerWaalsContact O-CB 3.31Å; K277-M281 WeakPolarHBondContact O-CB 3.43Å; K277-M281 VanDerWaalsContact O-CG 3.23Å; K277-M281 WeakPolarHBondContact O-CG 3.3Å; K277-M281 PolarHBondContact O-N 3.03Å; L278-M281 PolarHBondContact O-N 3.01Å; R279-M281 VanDerWaalsContact C-N 3.29Å; R279-M281 PolarHBondContact O-N 2.88Å; M281-A284 PolarHBondContact O-N 2.87Å; M281-Q285 WeakPolarHBondContact O-CB 3.07Å; M281-Q285 VanDerWaalsContact O-CG 3.3Å; M281-Q285 WeakPolarHBondContact O-CG 3.18Å; M281-Q285 PolarHBondContact O-N 2.85Å |
| 282 | A | 65.7 | Low | 63 | Low | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L278 R279 Q285 S286 | L278-A282 PolarHBondContact O-N 3.48Å; R279-A282 PolarHBondContact O-N 3.32Å; A282-Q285 PolarHBondContact O-N 2.89Å; A282-S286 PolarHBondContact O-N 3.44Å |
| 283 | E | 64.9 | Low | 64.2 | Low | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 176.7 | -163.6 | 155.6 | -164.6 | 0 | 0 | 110.6 | R279 Q285 S286 I287 | R279-E283 WeakPolarHBondContact O-CB 3.31Å; R279-E283 PolarHBondContact O-N 2.95Å; E283-Q285 PolarHBondContact O-N 2.78Å; E283-S286 CarbonylContact O-C 3.56Å; E283-S286 WeakPolarHBondContact O-CA 3.37Å; E283-S286 WeakPolarHBondContact O-CB 3.4Å; E283-S286 PolarHBondContact O-N 2.88Å; E283-S286 PolarHBondContact O-OG 3.49Å; E283-I287 PolarHBondContact O-N 3.35Å; E283-I287 VanDerWaalsContact O-N 3.12Å |
| 284 | A | 60.3 | Low | 65.7 | Low | 47 Ų | 47 | 95.5 Ų | 95.5 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | A280 M281 S286 I287 | A280-A284 WeakPolarHBondContact O-CB 3.43Å; A280-A284 PolarHBondContact O-N 3.42Å; M281-A284 PolarHBondContact O-N 2.87Å; A284-S286 PolarHBondContact O-N 3.4Å; A284-I287 HydrophobicContact CB-CD1 4.36Å; A284-I287 WeakPolarHBondContact O-CB 3.42Å; A284-I287 PolarHBondContact O-N 2.71Å |
| 285 | Q | 58.9 | Low | 66.9 | Low | 155 Ų | 155 | 96.9 Ų | 96.9 | 72% | 0.724 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -23.4 | 169.8 | -75.8 | 176.4 | -9 | 0 | 0 | 112.6 | M281 A282 E283 | M281-Q285 WeakPolarHBondContact O-CB 3.07Å; M281-Q285 VanDerWaalsContact O-CG 3.3Å; M281-Q285 WeakPolarHBondContact O-CG 3.18Å; M281-Q285 PolarHBondContact O-N 2.85Å; A282-Q285 PolarHBondContact O-N 2.89Å; E283-Q285 PolarHBondContact O-N 2.78Å |
| 286 | S | 63.3 | Low | 68 | Low | 79 Ų | 79 | 94.7 Ų | 94.7 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -82.3 | -16.3 | 173.6 | 85.1 | 0 | 0 | 0 | 0 | 114 | A282 E283 A284 A288 | A282-S286 PolarHBondContact O-N 3.44Å; E283-S286 CarbonylContact O-C 3.56Å; E283-S286 WeakPolarHBondContact O-CA 3.37Å; E283-S286 WeakPolarHBondContact O-CB 3.4Å; E283-S286 PolarHBondContact O-N 2.88Å; E283-S286 PolarHBondContact O-OG 3.49Å; A284-S286 PolarHBondContact O-N 3.4Å; S286-A288 PolarHBondContact O-N 2.79Å |
| 287 | I | 60.3 | Low | 69.2 | Low | 96 Ų | 96 | 93.7 Ų | 93.7 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | trans | -58.2 | 114.8 | 177.8 | -64.7 | 173.8 | 0 | 0 | 0 | 109.2 | E283 A284 T289 N290 | E283-I287 PolarHBondContact O-N 3.35Å; E283-I287 VanDerWaalsContact O-N 3.12Å; A284-I287 HydrophobicContact CB-CD1 4.36Å; A284-I287 WeakPolarHBondContact O-CB 3.42Å; A284-I287 PolarHBondContact O-N 2.71Å; I287-T289 HydrophobicContact CG2-CG2 3.89Å; I287-T289 PolarHBondContact O-N 3.19Å; I287-N290 PolarHBondContact O-N 3.46Å | ||
| 288 | A | 62.1 | Low | 70.3 | Confident | 59 Ų | 59 | 90.6 Ų | 90.6 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -61.2 | -14.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S286 N290 K291 I292 | S286-A288 PolarHBondContact O-N 2.79Å; A288-N290 PolarHBondContact O-N 2.95Å; A288-K291 WeakPolarHBondContact O-CA 3.45Å; A288-K291 WeakPolarHBondContact O-CB 3.43Å; A288-K291 PolarHBondContact O-N 3.01Å; A288-I292 PolarHBondContact O-N 3.29Å |
| 289 | T | 65.9 | Low | 71 | Confident | 55 Ų | 55 | 86.3 Ų | 86.3 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -55.7 | -36.6 | 179.4 | -152.7 | 0 | 0 | 0 | 0 | 113 | I287 K291 I292 G301 | I287-T289 HydrophobicContact CG2-CG2 3.89Å; I287-T289 PolarHBondContact O-N 3.19Å; T289-K291 PolarHBondContact O-N 3.36Å; T289-K291 VanDerWaalsContact O-N 3.15Å; T289-I292 PolarHBondContact O-N 2.8Å; T289-G301 VanDerWaalsContact O-CA 3.3Å; T289-G301 WeakPolarHBondContact O-CA 3.48Å; T289-G301 PolarHBondContact O-N 3.23Å; T289-G301 WeakPolarHBondContact OG1-CA 3.34Å; T289-G301 PolarHBondContact OG1-O 2.64Å; T289-G301 VanDerWaalsContact OG1-O 3.08Å |
| 290 | N | 66.7 | Low | 71.6 | Confident | 112 Ų | 112 | 81.5 Ų | 81.5 | 60% | 0.599 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -68.8 | -10.6 | 176.2 | -73 | -44.3 | 0 | 0 | 0 | 114 | I287 A288 | I287-N290 PolarHBondContact O-N 3.46Å; A288-N290 PolarHBondContact O-N 2.95Å |
| 291 | K | 72.2 | Confident | 72.2 | Confident | 173 Ų | 173 | 80.3 Ų | 80.3 | 75% | 0.752 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -101.2 | -9.4 | 173.8 | -60.3 | -178.9 | -179.3 | 177 | 0 | 112.8 | A288 T289 | A288-K291 WeakPolarHBondContact O-CA 3.45Å; A288-K291 WeakPolarHBondContact O-CB 3.43Å; A288-K291 PolarHBondContact O-N 3.01Å; T289-K291 PolarHBondContact O-N 3.36Å; T289-K291 VanDerWaalsContact O-N 3.15Å |
| 292 | I | 76.5 | Confident | 73.1 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 30% | 0.303 | 48% | 0.477 | S | S | . | . | trans | -87.4 | 114.4 | 177.4 | -62.4 | 170.5 | 0 | 0 | 0 | 108 | A288 T289 A300 G301 H302 L303 | A288-I292 PolarHBondContact O-N 3.29Å; T289-I292 PolarHBondContact O-N 2.8Å; I292-A300 CarbonylContact O-C 3.5Å; I292-A300 VanDerWaalsContact O-CA 3.3Å; I292-A300 WeakPolarHBondContact O-CA 3.39Å; I292-G301 PolarHBondContact O-N 3.22Å; I292-H302 WeakPolarHBondContact CG2-O 3.46Å; I292-L303 HydrophobicContact CD1-CD1 4.02Å; I292-L303 HydrophobicContact CG2-CD1 4.08Å; I292-L303 HydrophobicContact CG2-CG 4.11Å | ||
| 293 | Q | 83 | Confident | 74 | Confident | 161 Ų | 161 | 79 Ų | 79 | 75% | 0.752 | 48% | 0.477 | S | S | * | . | B | Isolated β-bridge | trans | -100.7 | 131.9 | 174.3 | -64.3 | 177.9 | -4.8 | 0 | 0 | 109.5 | ||
| 294 | C | 85.3 | Confident | 74.7 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 3% | 0.027 | 47% | 0.468 | C | S | . | . | trans | -78.6 | 122.5 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | I296 C297 G298 G299 H302 C307 | C294-I296 PolarHBondContact O-N 3.45Å; C294-I296 VanDerWaalsContact O-N 3.11Å; C294-C297 VanDerWaalsContact SG-SG 3.61Å; C294-G298 WeakPolarHBondContact O-CA 3.36Å; C294-G298 PolarHBondContact O-N 2.87Å; C294-G299 WeakPolarHBondContact CB-O 3.3Å; C294-G299 PolarHBondContact N-O 2.95Å; C294-H302 VanDerWaalsContact CB-NE2 3.34Å; C294-H302 WeakPolarHBondContact CB-NE2 3.41Å; C294-H302 PolarHBondContact SG-NE2 3.08Å; C294-C307 PolarHBondContact SG-SG 3.38Å | ||
| 295 | G | 83.7 | Confident | 75.6 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 72% | 0.722 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -1.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S304 | G295-S304 PolarHBondContact N-OG 3.42Å; G295-S304 VanDerWaalsContact N-OG 3.12Å |
| 296 | I | 82.7 | Confident | 76.4 | Confident | 79 Ų | 79 | 76.8 Ų | 76.8 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -38.1 | -179.1 | -64.4 | 156 | 0 | 0 | 0 | 111.7 | C294 S304 C307 A309 L310 | C294-I296 PolarHBondContact O-N 3.45Å; C294-I296 VanDerWaalsContact O-N 3.11Å; I296-S304 WeakPolarHBondContact CD1-O 3.3Å; I296-C307 HydrophobicContact CB-CB 4.34Å; I296-C307 HydrophobicContact CD1-CB 3.86Å; I296-A309 HydrophobicContact CG2-CB 4.49Å; I296-L310 HydrophobicContact CD1-CB 4.32Å; I296-L310 HydrophobicContact CD1-CD1 4.15Å; I296-L310 HydrophobicContact CD1-CD2 4.38Å; I296-L310 HydrophobicContact CG2-CD1 4.48Å |
| 297 | C | 84.1 | Confident | 77.2 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -3.7 | -174.8 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | C294 G299 H302 A309 | C294-C297 VanDerWaalsContact SG-SG 3.61Å; C297-G299 PolarHBondContact O-N 3.04Å; C297-G299 VanDerWaalsContact O-N 3.09Å; C297-G299 PolarHBondContact SG-N 3.1Å; C297-H302 PolarHBondContact SG-CE1 2.94Å; C297-H302 PolarHBondContact SG-NE2 3.12Å; C297-H302 VanDerWaalsContact SG-NE2 3.45Å; C297-A309 HydrophobicContact CB-CB 4.17Å |
| 298 | G | 82 | Confident | 77.8 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 64% | 0.639 | 46% | 0.455 | S | S | * | . | trans | 70.9 | -5.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C294 | C294-G298 WeakPolarHBondContact O-CA 3.36Å; C294-G298 PolarHBondContact O-N 2.87Å | ||
| 299 | G | 78.2 | Confident | 78.1 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 29% | 0.289 | 46% | 0.461 | S | S | . | . | trans | -68.9 | 142 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C294 C297 | C294-G299 WeakPolarHBondContact CB-O 3.3Å; C294-G299 PolarHBondContact N-O 2.95Å; C297-G299 PolarHBondContact O-N 3.04Å; C297-G299 VanDerWaalsContact O-N 3.09Å; C297-G299 PolarHBondContact SG-N 3.1Å | ||
| 300 | A | 79.5 | Confident | 77.8 | Confident | 63 Ų | 63 | 79 Ų | 79 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | B | Isolated β-bridge | trans | -76.2 | 163.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I292 | I292-A300 CarbonylContact O-C 3.5Å; I292-A300 VanDerWaalsContact O-CA 3.3Å; I292-A300 WeakPolarHBondContact O-CA 3.39Å |
| 301 | G | 79.1 | Confident | 77.3 | Confident | 31 Ų | 31 | 77 Ų | 77 | 32% | 0.32 | 47% | 0.465 | S | S | . | . | S | Bend | trans | 91.9 | 5.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | T289 I292 | T289-G301 VanDerWaalsContact O-CA 3.3Å; T289-G301 WeakPolarHBondContact O-CA 3.48Å; T289-G301 PolarHBondContact O-N 3.23Å; T289-G301 WeakPolarHBondContact OG1-CA 3.34Å; T289-G301 PolarHBondContact OG1-O 2.64Å; T289-G301 VanDerWaalsContact OG1-O 3.08Å; I292-G301 PolarHBondContact O-N 3.22Å |
| 302 | H | 81.7 | Confident | 76.1 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -157.3 | 152.2 | 176.4 | 65.8 | -71.1 | 0 | 0 | 0 | 112.3 | I292 C294 C297 D306 | I292-H302 WeakPolarHBondContact CG2-O 3.46Å; C294-H302 VanDerWaalsContact CB-NE2 3.34Å; C294-H302 WeakPolarHBondContact CB-NE2 3.41Å; C294-H302 PolarHBondContact SG-NE2 3.08Å; C297-H302 PolarHBondContact SG-CE1 2.94Å; C297-H302 PolarHBondContact SG-NE2 3.12Å; C297-H302 VanDerWaalsContact SG-NE2 3.45Å; H302-D306 HydrophobicContact CB-CB 4.45Å |
| 303 | L | 83.3 | Confident | 75 | Confident | 93 Ų | 93 | 71.7 Ų | 71.7 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | trans | -77.7 | 162 | 172.9 | -74.2 | 81.5 | 0 | 0 | 0 | 110.7 | I292 T305 D306 | I292-L303 HydrophobicContact CD1-CD1 4.02Å; I292-L303 HydrophobicContact CG2-CD1 4.08Å; I292-L303 HydrophobicContact CG2-CG 4.11Å; L303-T305 WeakPolarHBondContact CB-OG1 3.36Å; L303-T305 PolarHBondContact O-N 3.07Å; L303-D306 PolarHBondContact O-N 3.15Å | ||
| 304 | S | 80.7 | Confident | 73.7 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -58 | -28 | 176.3 | -54.3 | 0 | 0 | 0 | 0 | 113.7 | G295 I296 D306 C307 | G295-S304 PolarHBondContact N-OG 3.42Å; G295-S304 VanDerWaalsContact N-OG 3.12Å; I296-S304 WeakPolarHBondContact CD1-O 3.3Å; S304-D306 VanDerWaalsContact C-N 3.29Å; S304-D306 PolarHBondContact O-N 3.35Å; S304-C307 WeakPolarHBondContact O-CB 3.36Å |
| 305 | T | 79.6 | Confident | 72.2 | Confident | 117 Ų | 117 | 74.3 Ų | 74.3 | 72% | 0.718 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -61.1 | -36 | 173 | 33.8 | 0 | 0 | 0 | 0 | 113.2 | L303 C307 | L303-T305 WeakPolarHBondContact CB-OG1 3.36Å; L303-T305 PolarHBondContact O-N 3.07Å; T305-C307 VanDerWaalsContact C-N 3.33Å |
| 306 | D | 74.8 | Confident | 70.8 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -100 | 14.5 | -171.1 | -49.8 | -82.5 | 0 | 0 | 0 | 111.4 | H302 L303 S304 K308 | H302-D306 HydrophobicContact CB-CB 4.45Å; L303-D306 PolarHBondContact O-N 3.15Å; S304-D306 VanDerWaalsContact C-N 3.29Å; S304-D306 PolarHBondContact O-N 3.35Å; D306-K308 PolarHBondContact O-N 3.46Å; D306-K308 VanDerWaalsContact O-N 3.17Å |
| 307 | C | 79.9 | Confident | 69.5 | Low | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.02 | 49% | 0.49 | C | S | . | . | trans | -73.6 | 108.8 | -174.1 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | C294 I296 S304 T305 A309 L310 L311 | C294-C307 PolarHBondContact SG-SG 3.38Å; I296-C307 HydrophobicContact CB-CB 4.34Å; I296-C307 HydrophobicContact CD1-CB 3.86Å; S304-C307 WeakPolarHBondContact O-CB 3.36Å; T305-C307 VanDerWaalsContact C-N 3.33Å; C307-A309 PolarHBondContact O-N 3.33Å; C307-A309 PolarHBondContact SG-N 3.13Å; C307-L310 HydrophobicContact CB-CB 4.45Å; C307-L310 WeakPolarHBondContact O-CB 3.44Å; C307-L310 PolarHBondContact O-N 3.18Å; C307-L311 PolarHBondContact O-N 3.43Å | ||
| 308 | K | 72.5 | Confident | 68.3 | Low | 133 Ų | 133 | 80.5 Ų | 80.5 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.2 | 172.5 | -70.2 | 174.5 | 172.9 | -70.5 | 0 | 114.5 | D306 Y316 | D306-K308 PolarHBondContact O-N 3.46Å; D306-K308 VanDerWaalsContact O-N 3.17Å; K308-Y316 PolarHBondContact NZ-OH 3.12Å; K308-Y316 VanDerWaalsContact NZ-OH 3.09Å |
| 309 | A | 69 | Low | 67.2 | Low | 75 Ų | 75 | 84.3 Ų | 84.3 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -22.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I296 C297 C307 | I296-A309 HydrophobicContact CG2-CB 4.49Å; C297-A309 HydrophobicContact CB-CB 4.17Å; C307-A309 PolarHBondContact O-N 3.33Å; C307-A309 PolarHBondContact SG-N 3.13Å |
| 310 | L | 59.3 | Low | 66 | Low | 125 Ų | 125 | 87.1 Ų | 87.1 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -32.3 | 172.1 | -158 | 82.1 | 0 | 0 | 0 | 111.3 | I296 C307 G312 | I296-L310 HydrophobicContact CD1-CB 4.32Å; I296-L310 HydrophobicContact CD1-CD1 4.15Å; I296-L310 HydrophobicContact CD1-CD2 4.38Å; I296-L310 HydrophobicContact CG2-CD1 4.48Å; C307-L310 HydrophobicContact CB-CB 4.45Å; C307-L310 WeakPolarHBondContact O-CB 3.44Å; C307-L310 PolarHBondContact O-N 3.18Å; L310-G312 PolarHBondContact O-N 2.99Å |
| 311 | L | 55.3 | Low | 65 | Low | 70 Ų | 70 | 89.6 Ų | 89.6 | 37% | 0.366 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -87.5 | 85 | -176.1 | -161.9 | 71.1 | 0 | 0 | 0 | 111.5 | C307 G313 A315 | C307-L311 PolarHBondContact O-N 3.43Å; L311-G313 PolarHBondContact O-N 3.09Å; L311-A315 HydrophobicContact CD1-CB 3.71Å; L311-A315 HydrophobicContact CG-CB 4Å |
| 312 | G | 47.2 | Very low | 64.3 | Low | 55 Ų | 55 | 91.5 Ų | 91.5 | 57% | 0.567 | 53% | 0.526 | S | S | * | . | trans | -48.7 | 134.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L310 Q314 A315 | L310-G312 PolarHBondContact O-N 2.99Å; G312-Q314 PolarHBondContact O-N 3.45Å; G312-A315 PolarHBondContact O-N 3.5Å | ||
| 313 | G | 53.8 | Low | 63.2 | Low | 66 Ų | 66 | 93.1 Ų | 93.1 | 68% | 0.68 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.8 | -11.6 | -152.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | L311 | L311-G313 PolarHBondContact O-N 3.09Å |
| 314 | Q | 56.4 | Low | 62.3 | Low | 170 Ų | 170 | 92.8 Ų | 92.8 | 79% | 0.794 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.7 | -38.5 | 173.6 | -72.4 | 164.3 | -95.6 | 0 | 0 | 112.3 | G312 Y316 L317 D318 | G312-Q314 PolarHBondContact O-N 3.45Å; Q314-Y316 VanDerWaalsContact C-N 3.3Å; Q314-Y316 PolarHBondContact O-N 2.89Å; Q314-L317 WeakPolarHBondContact O-CB 3.34Å; Q314-L317 PolarHBondContact O-N 3.11Å; Q314-D318 PolarHBondContact O-N 3.43Å |
| 315 | A | 54.5 | Low | 61.8 | Low | 49 Ų | 49 | 94.1 Ų | 94.1 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69 | -28.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L311 G312 L317 Q319 | L311-A315 HydrophobicContact CD1-CB 3.71Å; L311-A315 HydrophobicContact CG-CB 4Å; G312-A315 PolarHBondContact O-N 3.5Å; A315-L317 VanDerWaalsContact C-N 3.31Å; A315-Q319 PolarHBondContact O-N 3.47Å |
| 316 | Y | 53.4 | Low | 61.2 | Low | 99 Ų | 99 | 93.4 Ų | 93.4 | 39% | 0.388 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.2 | -27.7 | 172.5 | -174.1 | -127.3 | 0 | 0 | 0 | 112.5 | K308 Q314 L320 | K308-Y316 PolarHBondContact NZ-OH 3.12Å; K308-Y316 VanDerWaalsContact NZ-OH 3.09Å; Q314-Y316 VanDerWaalsContact C-N 3.3Å; Q314-Y316 PolarHBondContact O-N 2.89Å; Y316-L320 HydrophobicContact CD1-CD1 3.97Å; Y316-L320 HydrophobicContact CD2-CD1 4.44Å; Y316-L320 HydrophobicContact CD2-CG 4.41Å; Y316-L320 HydrophobicContact CE1-CD1 3.59Å; Y316-L320 HydrophobicContact CE1-CG 4.44Å; Y316-L320 HydrophobicContact CE2-CD1 4.07Å; Y316-L320 HydrophobicContact CE2-CD2 4.37Å; Y316-L320 HydrophobicContact CE2-CG 4.03Å; Y316-L320 HydrophobicContact CG-CD1 4.38Å; Y316-L320 WeakPolarHBondContact O-CB 3.5Å; Y316-L320 VanDerWaalsContact O-CG 3.31Å; Y316-L320 WeakPolarHBondContact O-CG 3.49Å; Y316-L320 PolarHBondContact O-N 2.92Å |
| 317 | L | 56 | Low | 60.9 | Low | 126 Ų | 126 | 95.1 Ų | 95.1 | 66% | 0.66 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.6 | -45.5 | 178.7 | -161.2 | 78.7 | 0 | 0 | 0 | 111.4 | Q314 A315 L320 N321 | Q314-L317 WeakPolarHBondContact O-CB 3.34Å; Q314-L317 PolarHBondContact O-N 3.11Å; A315-L317 VanDerWaalsContact C-N 3.31Å; L317-L320 PolarHBondContact O-N 3.04Å; L317-N321 PolarHBondContact O-N 2.9Å |
| 318 | D | 59 | Low | 60.6 | Low | 121 Ų | 121 | 98 Ų | 98 | 65% | 0.647 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.7 | -41.2 | 177.2 | -81.1 | -28.8 | 0 | 0 | 0 | 112 | Q314 L320 N321 | Q314-D318 PolarHBondContact O-N 3.43Å; D318-L320 VanDerWaalsContact C-N 3.29Å; D318-L320 PolarHBondContact O-N 3.21Å; D318-N321 WeakPolarHBondContact O-CB 3.42Å; D318-N321 PolarHBondContact O-N 3.48Å |
| 319 | Q | 57.7 | Low | 61 | Low | 142 Ų | 142 | 98 Ų | 98 | 66% | 0.664 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.6 | -32.5 | 178.3 | -163.1 | 176.7 | 27.8 | 0 | 0 | 112.5 | A315 N321 | A315-Q319 PolarHBondContact O-N 3.47Å; Q319-N321 PolarHBondContact O-N 2.93Å |
| 320 | L | 54.4 | Low | 61.3 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 45% | 0.45 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -13.1 | 171.9 | -78.4 | 173 | 0 | 0 | 0 | 113.9 | Y316 L317 D318 | Y316-L320 HydrophobicContact CD1-CD1 3.97Å; Y316-L320 HydrophobicContact CD2-CD1 4.44Å; Y316-L320 HydrophobicContact CD2-CG 4.41Å; Y316-L320 HydrophobicContact CE1-CD1 3.59Å; Y316-L320 HydrophobicContact CE1-CG 4.44Å; Y316-L320 HydrophobicContact CE2-CD1 4.07Å; Y316-L320 HydrophobicContact CE2-CD2 4.37Å; Y316-L320 HydrophobicContact CE2-CG 4.03Å; Y316-L320 HydrophobicContact CG-CD1 4.38Å; Y316-L320 WeakPolarHBondContact O-CB 3.5Å; Y316-L320 VanDerWaalsContact O-CG 3.31Å; Y316-L320 WeakPolarHBondContact O-CG 3.49Å; Y316-L320 PolarHBondContact O-N 2.92Å; L317-L320 PolarHBondContact O-N 3.04Å; D318-L320 VanDerWaalsContact C-N 3.29Å; D318-L320 PolarHBondContact O-N 3.21Å |
| 321 | N | 58.3 | Low | 62.3 | Low | 116 Ų | 116 | 97.4 Ų | 97.4 | 62% | 0.62 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -2 | -175.3 | -154.4 | 29 | 0 | 0 | 0 | 113.3 | L317 D318 Q319 | L317-N321 PolarHBondContact O-N 2.9Å; D318-N321 WeakPolarHBondContact O-CB 3.42Å; D318-N321 PolarHBondContact O-N 3.48Å; Q319-N321 PolarHBondContact O-N 2.93Å |
| 322 | A | 62.7 | Low | 63.7 | Low | 70 Ų | 70 | 97.4 Ų | 97.4 | 58% | 0.579 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -66.1 | -40 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P324 | A322-P324 VanDerWaalsContact C-CD 3.5Å; A322-P324 VanDerWaalsContact O-CD 3.3Å; A322-P324 WeakPolarHBondContact O-CD 3.24Å |
| 323 | N | 59 | Low | 65.4 | Low | 84 Ų | 84 | 100.9 Ų | 100.9 | 45% | 0.449 | 55% | 0.552 | S | S | . | * | trans | -120.9 | 71.4 | -175.2 | -71.3 | -9.2 | 0 | 0 | 0 | 112.3 | S325 E326 R327 | N323-S325 PolarHBondContact O-N 3.43Å; N323-E326 HydrophobicContact CB-CB 4.06Å; N323-E326 HydrophobicContact CB-CG 4.05Å; N323-E326 WeakPolarHBondContact CB-OE2 3.45Å; N323-E326 PolarHBondContact ND2-OE2 2.95Å; N323-E326 PolarHBondContact O-N 3.3Å; N323-E326 VanDerWaalsContact O-N 3.15Å; N323-R327 PolarHBondContact O-N 3.41Å | ||
| 324 | P | 65.8 | Low | 66.8 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.7 | -26.3 | 179.3 | 25.6 | -34.6 | 0 | 0 | 0 | 113 | A322 A328 | A322-P324 VanDerWaalsContact C-CD 3.5Å; A322-P324 VanDerWaalsContact O-CD 3.3Å; A322-P324 WeakPolarHBondContact O-CD 3.24Å; P324-A328 WeakPolarHBondContact O-CB 3.14Å; P324-A328 PolarHBondContact O-N 3.17Å |
| 325 | S | 69.7 | Low | 68.2 | Low | 78 Ų | 78 | 100.8 Ų | 100.8 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.2 | -32.9 | 176.3 | 50.5 | 0 | 0 | 0 | 0 | 114 | N323 K329 | N323-S325 PolarHBondContact O-N 3.43Å; S325-K329 WeakPolarHBondContact O-CG 3.34Å; S325-K329 PolarHBondContact O-N 3.49Å |
| 326 | E | 66.5 | Low | 69.7 | Low | 103 Ų | 103 | 101.3 Ų | 101.3 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -79.4 | -39.2 | 175.9 | -65.3 | -176.8 | 153 | 0 | 0 | 110.8 | N323 A328 K329 M330 | N323-E326 HydrophobicContact CB-CB 4.06Å; N323-E326 HydrophobicContact CB-CG 4.05Å; N323-E326 WeakPolarHBondContact CB-OE2 3.45Å; N323-E326 PolarHBondContact ND2-OE2 2.95Å; N323-E326 PolarHBondContact O-N 3.3Å; N323-E326 VanDerWaalsContact O-N 3.15Å; E326-A328 PolarHBondContact O-N 3.32Å; E326-K329 WeakPolarHBondContact O-CB 3.39Å; E326-K329 PolarHBondContact O-N 3.46Å; E326-M330 HydrophobicContact CB-CE 4.47Å; E326-M330 PolarHBondContact O-N 3.19Å |
| 327 | R | 68.7 | Low | 71 | Confident | 141 Ų | 141 | 100.6 Ų | 100.6 | 53% | 0.532 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 172.1 | -177.3 | 171.7 | -176.3 | 151.7 | 6.2 | 111.8 | N323 K329 M330 D331 | N323-R327 PolarHBondContact O-N 3.41Å; R327-K329 PolarHBondContact O-N 2.88Å; R327-M330 PolarHBondContact O-N 3.01Å; R327-D331 WeakPolarHBondContact CG-OD2 3.33Å; R327-D331 IonicContact NE-OD2 3.29Å; R327-D331 PolarHBondContact NE-OD2 3.35Å; R327-D331 WeakPolarHBondContact O-CB 3.48Å; R327-D331 PolarHBondContact O-N 2.66Å |
| 328 | A | 74 | Confident | 72.2 | Confident | 62 Ų | 62 | 97 Ų | 97 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -33.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P324 E326 S332 | P324-A328 WeakPolarHBondContact O-CB 3.14Å; P324-A328 PolarHBondContact O-N 3.17Å; E326-A328 PolarHBondContact O-N 3.32Å; A328-S332 WeakPolarHBondContact O-CB 3.47Å; A328-S332 PolarHBondContact O-N 2.99Å; A328-S332 VanDerWaalsContact O-N 3.14Å; A328-S332 PolarHBondContact O-OG 3.37Å |
| 329 | K | 80.1 | Confident | 73.4 | Confident | 133 Ų | 133 | 94.8 Ų | 94.8 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.2 | -53 | 173.1 | -72.4 | 175.3 | 179.5 | -177.8 | 0 | 111.6 | S325 E326 R327 D331 S332 E333 | S325-K329 WeakPolarHBondContact O-CG 3.34Å; S325-K329 PolarHBondContact O-N 3.49Å; E326-K329 WeakPolarHBondContact O-CB 3.39Å; E326-K329 PolarHBondContact O-N 3.46Å; R327-K329 PolarHBondContact O-N 2.88Å; K329-D331 VanDerWaalsContact C-N 3.35Å; K329-D331 PolarHBondContact O-N 2.92Å; K329-S332 CarbonylContact O-C 3.6Å; K329-S332 WeakPolarHBondContact O-CA 3.46Å; K329-S332 WeakPolarHBondContact O-CB 3.49Å; K329-S332 PolarHBondContact O-N 2.84Å; K329-S332 PolarHBondContact O-OG 2.86Å; K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 2.7Å |
| 330 | M | 76.1 | Confident | 74.5 | Confident | 113 Ų | 113 | 96 Ų | 96 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.8 | -43.7 | 179.3 | -69.9 | -175.5 | -70.9 | 0 | 0 | 112.4 | E326 R327 S332 E333 Y334 | E326-M330 HydrophobicContact CB-CE 4.47Å; E326-M330 PolarHBondContact O-N 3.19Å; R327-M330 PolarHBondContact O-N 3.01Å; M330-S332 VanDerWaalsContact C-N 3.29Å; M330-S332 PolarHBondContact O-N 3.39Å; M330-E333 PolarHBondContact O-N 3.41Å; M330-Y334 VanDerWaalsContact O-CB 3.24Å; M330-Y334 WeakPolarHBondContact O-CB 3.48Å; M330-Y334 PolarHBondContact O-N 3.02Å |
| 331 | D | 79.3 | Confident | 75.5 | Confident | 76 Ų | 76 | 97.2 Ų | 97.2 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -32.9 | 176.1 | -72.4 | -24.4 | 0 | 0 | 0 | 111 | R327 K329 T335 | R327-D331 WeakPolarHBondContact CG-OD2 3.33Å; R327-D331 IonicContact NE-OD2 3.29Å; R327-D331 PolarHBondContact NE-OD2 3.35Å; R327-D331 WeakPolarHBondContact O-CB 3.48Å; R327-D331 PolarHBondContact O-N 2.66Å; K329-D331 VanDerWaalsContact C-N 3.35Å; K329-D331 PolarHBondContact O-N 2.92Å; D331-T335 VanDerWaalsContact O-CB 3.3Å; D331-T335 WeakPolarHBondContact O-CB 3.32Å; D331-T335 PolarHBondContact O-N 3.14Å; D331-T335 PolarHBondContact O-OG1 3.26Å |
| 332 | S | 84.9 | Confident | 75.5 | Confident | 69 Ų | 69 | 94.8 Ų | 94.8 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.4 | -40.9 | 174.1 | 77.7 | 0 | 0 | 0 | 0 | 113.7 | A328 K329 M330 T335 A336 | A328-S332 WeakPolarHBondContact O-CB 3.47Å; A328-S332 PolarHBondContact O-N 2.99Å; A328-S332 VanDerWaalsContact O-N 3.14Å; A328-S332 PolarHBondContact O-OG 3.37Å; K329-S332 CarbonylContact O-C 3.6Å; K329-S332 WeakPolarHBondContact O-CA 3.46Å; K329-S332 WeakPolarHBondContact O-CB 3.49Å; K329-S332 PolarHBondContact O-N 2.84Å; K329-S332 PolarHBondContact O-OG 2.86Å; M330-S332 VanDerWaalsContact C-N 3.29Å; M330-S332 PolarHBondContact O-N 3.39Å; S332-T335 PolarHBondContact O-N 2.94Å; S332-A336 WeakPolarHBondContact O-CB 3.38Å; S332-A336 PolarHBondContact O-N 3.09Å |
| 333 | E | 83.9 | Confident | 75.3 | Confident | 129 Ų | 129 | 96.9 Ų | 96.9 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.1 | -40.7 | 177.3 | -71.6 | 169 | -150.2 | 0 | 0 | 110.7 | K329 M330 A336 L337 | K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 2.7Å; M330-E333 PolarHBondContact O-N 3.41Å; E333-A336 PolarHBondContact O-N 3.41Å; E333-L337 WeakPolarHBondContact O-CB 3.39Å; E333-L337 PolarHBondContact O-N 3.5Å |
| 334 | Y | 83.4 | Confident | 74.5 | Confident | 143 Ų | 143 | 96.2 Ų | 96.2 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.5 | -42.7 | 172.1 | -177.1 | -98.1 | 0 | 0 | 0 | 112.1 | M330 L337 M338 | M330-Y334 VanDerWaalsContact O-CB 3.24Å; M330-Y334 WeakPolarHBondContact O-CB 3.48Å; M330-Y334 PolarHBondContact O-N 3.02Å; Y334-L337 PolarHBondContact O-N 3Å; Y334-M338 HydrophobicContact CD1-CG 4.14Å; Y334-M338 HydrophobicContact CE1-CG 3.73Å; Y334-M338 HydrophobicContact CE1-SD 4.45Å; Y334-M338 HydrophobicContact CE2-CE 4.19Å; Y334-M338 HydrophobicContact CE2-CG 4.41Å; Y334-M338 HydrophobicContact CE2-SD 4.49Å; Y334-M338 WeakPolarHBondContact O-CG 3.45Å; Y334-M338 PolarHBondContact O-N 3.29Å |
| 335 | T | 85.4 | Confident | 72.9 | Confident | 91 Ų | 91 | 96 Ų | 96 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | D331 S332 M338 A339 | D331-T335 VanDerWaalsContact O-CB 3.3Å; D331-T335 WeakPolarHBondContact O-CB 3.32Å; D331-T335 PolarHBondContact O-N 3.14Å; D331-T335 PolarHBondContact O-OG1 3.26Å; S332-T335 PolarHBondContact O-N 2.94Å; T335-M338 PolarHBondContact O-N 2.89Å; T335-A339 WeakPolarHBondContact O-CB 3.31Å; T335-A339 PolarHBondContact O-N 3.28Å |
| 336 | A | 85.4 | Confident | 71.3 | Confident | 59 Ų | 59 | 97.4 Ų | 97.4 | 49% | 0.488 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -44.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S332 E333 M338 A339 E340 | S332-A336 WeakPolarHBondContact O-CB 3.38Å; S332-A336 PolarHBondContact O-N 3.09Å; E333-A336 PolarHBondContact O-N 3.41Å; A336-M338 PolarHBondContact O-N 3.29Å; A336-A339 WeakPolarHBondContact O-CB 3.46Å; A336-A339 PolarHBondContact O-N 3.18Å; A336-E340 PolarHBondContact O-N 3.17Å |
| 337 | L | 81.2 | Confident | 69.9 | Low | 84 Ų | 84 | 101.2 Ų | 101.2 | 44% | 0.44 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.7 | -40.4 | 176.9 | -171.8 | 72.4 | 0 | 0 | 0 | 112.5 | E333 Y334 A339 E340 L341 | E333-L337 WeakPolarHBondContact O-CB 3.39Å; E333-L337 PolarHBondContact O-N 3.5Å; Y334-L337 PolarHBondContact O-N 3Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-E340 PolarHBondContact O-N 3.42Å; L337-L341 HydrophobicContact CD1-CD1 4.47Å; L337-L341 HydrophobicContact CG-CD1 4.1Å; L337-L341 WeakPolarHBondContact O-CB 3.39Å; L337-L341 WeakPolarHBondContact O-CG 3.44Å; L337-L341 PolarHBondContact O-N 3.47Å |
| 338 | M | 81.6 | Confident | 68.4 | Low | 52 Ų | 52 | 97.9 Ų | 97.9 | 26% | 0.256 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68 | -31.9 | 175.8 | -69.1 | -61.3 | 100.1 | 0 | 0 | 112.7 | Y334 T335 A336 L341 G342 V343 | Y334-M338 HydrophobicContact CD1-CG 4.14Å; Y334-M338 HydrophobicContact CE1-CG 3.73Å; Y334-M338 HydrophobicContact CE1-SD 4.45Å; Y334-M338 HydrophobicContact CE2-CE 4.19Å; Y334-M338 HydrophobicContact CE2-CG 4.41Å; Y334-M338 HydrophobicContact CE2-SD 4.49Å; Y334-M338 WeakPolarHBondContact O-CG 3.45Å; Y334-M338 PolarHBondContact O-N 3.29Å; T335-M338 PolarHBondContact O-N 2.89Å; A336-M338 PolarHBondContact O-N 3.29Å; M338-L341 HydrophobicContact CE-CD1 3.98Å; M338-G342 PolarHBondContact O-N 3.03Å; M338-V343 PolarHBondContact O-N 3.38Å |
| 339 | A | 83.3 | Confident | 66.5 | Low | 73 Ų | 73 | 103 Ų | 103 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71 | -43.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T335 A336 L337 G342 | T335-A339 WeakPolarHBondContact O-CB 3.31Å; T335-A339 PolarHBondContact O-N 3.28Å; A336-A339 WeakPolarHBondContact O-CB 3.46Å; A336-A339 PolarHBondContact O-N 3.18Å; L337-A339 VanDerWaalsContact C-N 3.33Å; A339-G342 PolarHBondContact O-N 3.15Å; A339-G342 VanDerWaalsContact O-N 3.13Å |
| 340 | E | 81.9 | Confident | 64.7 | Low | 167 Ų | 167 | 102.1 Ų | 102.1 | 78% | 0.78 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.5 | -37.4 | 178.2 | -173.2 | 173.5 | -155.6 | 0 | 0 | 112.4 | A336 L337 G342 | A336-E340 PolarHBondContact O-N 3.17Å; L337-E340 PolarHBondContact O-N 3.42Å; E340-G342 PolarHBondContact O-N 3.07Å |
| 341 | L | 73.6 | Confident | 62.9 | Low | 113 Ų | 113 | 103.1 Ų | 103.1 | 59% | 0.592 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -3.4 | 174.5 | -69.1 | 171.4 | 0 | 0 | 0 | 113.9 | L337 M338 V343 | L337-L341 HydrophobicContact CD1-CD1 4.47Å; L337-L341 HydrophobicContact CG-CD1 4.1Å; L337-L341 WeakPolarHBondContact O-CB 3.39Å; L337-L341 WeakPolarHBondContact O-CG 3.44Å; L337-L341 PolarHBondContact O-N 3.47Å; M338-L341 HydrophobicContact CE-CD1 3.98Å; L341-V343 VanDerWaalsContact C-N 3.31Å; L341-V343 HydrophobicContact CB-CG2 4.46Å; L341-V343 WeakPolarHBondContact O-CG2 3.35Å; L341-V343 PolarHBondContact O-N 3.34Å |
| 342 | G | 59.7 | Low | 61 | Low | 64 Ų | 64 | 103 Ų | 103 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.1 | 14.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | M338 A339 E340 G344 | M338-G342 PolarHBondContact O-N 3.03Å; A339-G342 PolarHBondContact O-N 3.15Å; A339-G342 VanDerWaalsContact O-N 3.13Å; E340-G342 PolarHBondContact O-N 3.07Å; G342-G344 PolarHBondContact O-N 3.21Å |
| 343 | V | 58.7 | Low | 58.8 | Low | 114 Ų | 114 | 107 Ų | 107 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | trans | -103.6 | 58.2 | -175.3 | -164.2 | 0 | 0 | 0 | 0 | 110.6 | M338 L341 | M338-V343 PolarHBondContact O-N 3.38Å; L341-V343 VanDerWaalsContact C-N 3.31Å; L341-V343 HydrophobicContact CB-CG2 4.46Å; L341-V343 WeakPolarHBondContact O-CG2 3.35Å; L341-V343 PolarHBondContact O-N 3.34Å | ||
| 344 | G | 40.5 | Very low | 56.5 | Low | 70 Ų | 70 | 112 Ų | 112 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | trans | -154 | 43.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G342 | G342-G344 PolarHBondContact O-N 3.21Š| ||
| 345 | G | 33.1 | Very low | 54.2 | Low | 83 Ų | 83 | 108.4 Ų | 108.4 | 86% | 0.856 | 70% | 0.696 | S | S | * | * | trans | -125.3 | 50.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 346 | S | 36.7 | Very low | 51.9 | Low | 106 Ų | 106 | 114 Ų | 114 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | -155.1 | 166.8 | 171.5 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 347 | Q | 37.5 | Very low | 49.5 | Very low | 184 Ų | 184 | 118.5 Ų | 118.5 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | 75.6 | 110.1 | -170.2 | -50.6 | -68.3 | -3.3 | 0 | 0 | 114.2 | ||||
| 348 | G | 37.2 | Very low | 47.6 | Very low | 71 Ų | 71 | 118.4 Ų | 118.4 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | 164.4 | 48.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P350 | G348-P350 WeakPolarHBondContact O-CD 3.45Š| ||
| 349 | L | 33.9 | Very low | 45.6 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 135.3 | 173.8 | -77.9 | 86.5 | 0 | 0 | 0 | 112.2 | ||||
| 350 | P | 42.3 | Very low | 43.7 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -111.4 | 140.5 | 144.6 | 35 | -28 | 0 | 0 | 0 | 111.2 | G348 | G348-P350 WeakPolarHBondContact O-CD 3.45Š| ||
| 351 | P | 37.6 | Very low | 41.8 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -84.1 | 123.1 | 178.8 | 32 | -32.5 | 0 | 0 | 0 | 111.9 | ||||
| 352 | G | 39.1 | Very low | 40.5 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -172.1 | 79.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 353 | L | 38 | Very low | 39.7 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | 24.9 | 129.2 | 144.1 | -79.5 | 160.1 | 0 | 0 | 0 | 121.8 | ||||
| 354 | R | 37.4 | Very low | 38.9 | Very low | 234 Ų | 234 | 134.5 Ų | 134.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 69.9 | 106.9 | 156.6 | -57.8 | 173.2 | -174.1 | -92.4 | -0.2 | 116 | ||||
| 355 | G | 34 | Very low | 39 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -101.8 | -169.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 356 | F | 37.5 | Very low | 39.6 | Very low | 207 Ų | 207 | 143.9 Ų | 143.9 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -155.5 | 167.2 | 151.6 | -99 | -71.2 | 0 | 0 | 0 | 108.5 | ||||
| 357 | N | 35.7 | Very low | 39.7 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | trans | -50.5 | 155.9 | -179.3 | -53.3 | -27.6 | 0 | 0 | 0 | 112.3 | ||||
| 358 | A | 39.7 | Very low | 39.9 | Very low | 82 Ų | 82 | 148 Ų | 148 | 68% | 0.678 | 82% | 0.821 | S | S | * | * | cis | -168.1 | -171.8 | 34.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 359 | L | 41.1 | Very low | 40.6 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | 78.2 | 106.7 | 157.5 | -64.8 | 156.4 | 0 | 0 | 0 | 118.3 | ||||
| 360 | Q | 41.9 | Very low | 41.7 | Very low | 182 Ų | 182 | 151 Ų | 151 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -112.3 | 130.2 | 168 | 174.1 | -176 | 50.7 | 0 | 0 | 109.1 | ||||
| 361 | P | 43.8 | Very low | 42.8 | Very low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 131.5 | 172.8 | -9.9 | 27.5 | 0 | 0 | 0 | 112.3 | ||
| 362 | Q | 46 | Very low | 43.9 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 157.3 | 164.7 | -104.2 | -159.5 | -11.5 | 0 | 0 | 111.4 | ||
| 363 | P | 43.1 | Very low | 44.2 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 144.9 | 172.9 | 30.9 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 364 | T | 42.2 | Very low | 44.4 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -84 | 132.2 | -170 | 41.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 365 | R | 41.9 | Very low | 45 | Very low | 229 Ų | 229 | 145.6 Ų | 145.6 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 140.2 | 168.2 | -173.5 | -177.5 | -174.8 | -165.9 | 3.6 | 108.9 | T367 | R365-T367 PolarHBondContact O-N 2.73Š|
| 366 | P | 44.8 | Very low | 45.4 | Very low | 122 Ų | 122 | 146 Ų | 146 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 130.5 | -180 | 25.1 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 367 | T | 38.3 | Very low | 45.4 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75 | 129.6 | -175.4 | -43.5 | 0 | 0 | 0 | 0 | 111.7 | R365 | R365-T367 PolarHBondContact O-N 2.73Š|
| 368 | R | 42.7 | Very low | 46.1 | Very low | 239 Ų | 239 | 142.5 Ų | 142.5 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 132.3 | 165.1 | -79.2 | -175 | 165.4 | -150.9 | -3 | 109.9 | ||
| 369 | Q | 51.4 | Low | 46.3 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 148.9 | 162.2 | -73.9 | -178.9 | -80.6 | 0 | 0 | 110.5 | ||
| 370 | P | 56.7 | Low | 46.8 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 151.7 | 168.5 | 33.1 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 371 | P | 66.5 | Low | 46.9 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 158.9 | 169.5 | 32.2 | -35.1 | 0 | 0 | 0 | 111.6 | ||
| 372 | P | 60.8 | Low | 47.1 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68 | 152.5 | 170.8 | 30.5 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 373 | P | 44.5 | Very low | 46.9 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -76.8 | 133.2 | -177.2 | 30.7 | -34.4 | 0 | 0 | 0 | 112 | ||
| 374 | G | 42.5 | Very low | 47.1 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | 142.7 | 46.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 375 | V | 50.3 | Low | 47.1 | Very low | 152 Ų | 152 | 145 Ų | 145 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -146.9 | 150.4 | 150.6 | -88.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 376 | A | 41.7 | Very low | 47.1 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | trans | -86.4 | 154.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 377 | S | 37.9 | Very low | 46.9 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -70.3 | 146.4 | 163.5 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 378 | F | 50.9 | Low | 47.1 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -142.8 | 105.9 | 157.1 | 27.7 | -89.9 | 0 | 0 | 0 | 106.8 | ||||
| 379 | D | 43.8 | Very low | 47 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -94.4 | 122.1 | 168.2 | -54.1 | -92.6 | 0 | 0 | 0 | 106.2 | ||||
| 380 | D | 51.1 | Low | 46.4 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -139.9 | 108.3 | 171.5 | -86.9 | -62.3 | 0 | 0 | 0 | 107.6 | ||||
| 381 | D | 44.2 | Very low | 45.6 | Very low | 154 Ų | 154 | 127 Ų | 127 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -80.3 | 145.1 | 167.8 | -60 | -87.8 | 0 | 0 | 0 | 110.2 | ||||
| 382 | D | 47.5 | Very low | 44.3 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -172.2 | 127.6 | 140.2 | -109.9 | -30.9 | 0 | 0 | 0 | 112.2 | ||||
| 383 | D | 43.2 | Very low | 43.3 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -111 | 124 | 175.9 | -102.7 | -56.3 | 0 | 0 | 0 | 109.9 | ||||
| 384 | A | 46.1 | Very low | 43.1 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -147.1 | 75.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 385 | D | 42.8 | Very low | 43.1 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | 25.7 | 152.1 | 142.9 | -158.2 | 28.1 | 0 | 0 | 0 | 125.1 | ||||
| 386 | A | 42.2 | Very low | 42.6 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | 76.4 | 137.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 387 | G | 40 | Very low | 42.6 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | 114.7 | 64.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 388 | T | 42.4 | Very low | 42.6 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | 74.5 | 101.3 | 78.7 | -53.5 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 389 | N | 41.1 | Very low | 42.3 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 60.2 | 156.4 | 146.2 | -78.4 | -9.3 | 0 | 0 | 0 | 121.1 | ||||
| 390 | C | 38 | Very low | 42.1 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 66% | 0.655 | 81% | 0.81 | S | S | * | * | cis | -165.5 | 160.7 | -8.4 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 391 | T | 40.2 | Very low | 41.5 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | 53.6 | 111 | 147.4 | 51.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 392 | S | 39.2 | Very low | 41.4 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 80.2 | 144.1 | 114.3 | -55.3 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 393 | A | 39.3 | Very low | 41.2 | Very low | 90 Ų | 90 | 124.2 Ų | 124.2 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | 103 | 97.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 394 | T | 40.5 | Very low | 41.1 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | 48.7 | 115.6 | 123.3 | -47.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 395 | T | 43.5 | Very low | 40.7 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | -170.3 | 163.5 | 121.7 | 15.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 396 | T | 39.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -105.1 | 147.9 | -177.7 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 397 | S | 40.8 | Very low | 40.7 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -174.3 | 155 | 138 | -87.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 398 | T | 38.9 | Very low | 40.7 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -96.9 | 144.5 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 399 | V | 45.2 | Very low | 40.8 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | trans | -158.3 | 168.8 | 144.6 | -106.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 400 | T | 38.3 | Very low | 40.7 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -112.4 | -170.6 | -165.9 | -22.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 401 | T | 39.9 | Very low | 41 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | 79.3 | 94.6 | 163.8 | 53.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 402 | T | 41.3 | Very low | 41.4 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | 41.9 | 141.9 | 117.4 | 61.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 403 | V | 42.7 | Very low | 41.8 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 111.6 | 118.6 | 149 | -176.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 404 | S | 40.7 | Very low | 43.4 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 77.2 | 139.6 | 155.4 | -69.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 405 | S | 38.3 | Very low | 44.6 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -81.4 | -170.6 | 173.7 | -19.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 406 | P | 45.4 | Very low | 45.9 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | cis | -146.3 | 170.9 | 25.3 | 44.4 | -24.5 | 0 | 0 | 0 | 119.8 | ||||
| 407 | N | 40 | Very low | 47 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 65 | 162.9 | 160.9 | -56 | -16.4 | 0 | 0 | 0 | 116.3 | ||||
| 408 | Q | 40.6 | Very low | 48.2 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | cis | -135.1 | 155.4 | 7.6 | -57.8 | 168.6 | 29.7 | 0 | 0 | 110.7 | ||||
| 409 | Y | 43.7 | Very low | 49.2 | Very low | 237 Ų | 237 | 134.7 Ų | 134.7 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | trans | 168 | 117.6 | 138.4 | -90.3 | -57.3 | 0 | 0 | 0 | 109.4 | ||||
| 410 | A | 38.5 | Very low | 49.4 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -159.7 | 122.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 411 | F | 44.9 | Very low | 49.9 | Very low | 217 Ų | 217 | 132.1 Ų | 132.1 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | trans | -159.3 | 151.4 | 163.5 | -81.3 | -83.2 | 0 | 0 | 0 | 108 | ||||
| 412 | A | 47.7 | Very low | 50.1 | Low | 85 Ų | 85 | 133.4 Ų | 133.4 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | cis | -162.1 | 148.5 | -34.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 413 | L | 49.5 | Very low | 50.2 | Low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -111.1 | 135.2 | 171.9 | -74.5 | 173.1 | 0 | 0 | 0 | 110.4 | ||||
| 414 | P | 71 | Confident | 50.6 | Low | 118 Ų | 118 | 136.8 Ų | 136.8 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 149.4 | 174.7 | 31.8 | -34.1 | 0 | 0 | 0 | 112.4 | ||
| 415 | P | 67.2 | Low | 50.9 | Low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 162.1 | -174 | 36 | -36.8 | 0 | 0 | 0 | 115.1 | ||
| 416 | P | 70.7 | Confident | 51.3 | Low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 170.1 | 175 | 33 | -35.9 | 0 | 0 | 0 | 114.6 | ||
| 417 | P | 62.1 | Low | 51.5 | Low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -106.8 | 173.7 | -153.4 | 41.1 | -37.9 | 0 | 0 | 0 | 116.8 | ||||
| 418 | P | 64.9 | Low | 52.1 | Low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -98.4 | 145.5 | 172.8 | 37.1 | -33 | 0 | 0 | 0 | 115 | ||||
| 419 | P | 60.5 | Low | 52.6 | Low | 116 Ų | 116 | 136.8 Ų | 136.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -119.6 | -167.4 | 160.9 | 43.4 | -33 | 0 | 0 | 0 | 110.8 | ||||
| 420 | P | 49.7 | Very low | 52.8 | Low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -128.4 | 178.7 | -18.8 | 40.6 | -26 | 0 | 0 | 0 | 113.9 | ||||
| 421 | S | 47.9 | Very low | 53.6 | Low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 166 | 153.2 | 147.1 | -79.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 422 | Q | 44.2 | Very low | 53.5 | Low | 145 Ų | 145 | 128.7 Ų | 128.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -170.2 | 172.2 | -27.6 | -114.1 | -174.1 | 5.4 | 0 | 0 | 107.6 | ||||
| 423 | Y | 43.9 | Very low | 53.2 | Low | 201 Ų | 201 | 135.9 Ų | 135.9 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | 71.5 | 144.4 | 173.7 | -52.8 | -77.1 | 0 | 0 | 0 | 117.3 | ||||
| 424 | T | 50.7 | Low | 53.1 | Low | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | -152.6 | 163 | -0.6 | 6.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 425 | P | 47.2 | Very low | 51.9 | Low | 106 Ų | 106 | 133.1 Ų | 133.1 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | -125.7 | 169.6 | -166.8 | 43.1 | -31 | 0 | 0 | 0 | 118.8 | ||||
| 426 | M | 46.9 | Very low | 50.7 | Low | 187 Ų | 187 | 132.8 Ų | 132.8 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -149.7 | 126.5 | 157.7 | -71.3 | -174.4 | 163.1 | 0 | 0 | 107.9 | ||||
| 427 | V | 49.3 | Very low | 49.2 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | cis | 80.1 | 120.5 | 29.6 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 428 | T | 53.2 | Low | 48.4 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | cis | -125.3 | -115.3 | 48 | 39.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 429 | P | 51.2 | Low | 47.8 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -128.3 | 143.2 | -138.6 | 38.4 | -16.6 | 0 | 0 | 0 | 117.9 | ||||
| 430 | V | 48.8 | Very low | 47.5 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 70.8 | 110.4 | 66.3 | -178.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 431 | T | 54.8 | Low | 47.6 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -150.9 | 135.4 | 141.4 | 22 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 432 | P | 42.5 | Very low | 47.6 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | trans | -122 | -163.5 | -174 | 39.8 | -26.4 | 0 | 0 | 0 | 115.5 | ||||
| 433 | W | 41.1 | Very low | 48.4 | Very low | 237 Ų | 237 | 135 Ų | 135 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | 66.3 | 109.2 | 156.6 | 83.1 | -74.7 | 0 | 0 | 0 | 122.1 | ||||
| 434 | A | 47.8 | Very low | 48.5 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | -179 | 141.8 | 124.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 435 | T | 44.5 | Very low | 48.2 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -126.8 | 177.1 | 166.4 | 58 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 436 | P | 43.8 | Very low | 48.6 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | cis | -139.2 | -178.1 | 7.6 | 43.9 | -25.1 | 0 | 0 | 0 | 117.1 | ||||
| 437 | A | 37.6 | Very low | 48.2 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 6.9 | 131.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 438 | V | 45.8 | Very low | 47.8 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -139.5 | 139.3 | 148.9 | 175 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 439 | V | 52 | Low | 47.3 | Very low | 136 Ų | 136 | 130 Ų | 130 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -140.8 | 130.1 | 167.1 | 175 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 440 | P | 54.7 | Low | 46.8 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | -148.6 | -159.7 | 128.8 | 43.3 | -24.7 | 0 | 0 | 0 | 112 | |||||
| 441 | P | 51.1 | Low | 46.4 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -132.9 | -178.4 | -98.5 | 39.8 | -19.6 | 0 | 0 | 0 | 115.6 | |||||
| 442 | M | 48.2 | Very low | 46 | Very low | 188 Ų | 188 | 132.4 Ų | 132.4 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -87.4 | 146.6 | 168.5 | -76.3 | -153.6 | -168.7 | 0 | 0 | 113.8 | ||||
| 443 | P | 61.8 | Low | 46 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -102.3 | 160.6 | 144 | 36.7 | -28.2 | 0 | 0 | 0 | 111.1 | ||||
| 444 | G | 46.2 | Very low | 46.1 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | 150.9 | 101.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 445 | Y | 44.8 | Very low | 45.9 | Very low | 233 Ų | 233 | 126.1 Ų | 126.1 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | -85.4 | 147.9 | 176.3 | -71.6 | -86.5 | 0 | 0 | 0 | 112.5 | ||||
| 446 | P | 55.5 | Low | 46.2 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -103.6 | 165.6 | 152 | 36.3 | -28.9 | 0 | 0 | 0 | 112.1 | ||||
| 447 | S | 37.2 | Very low | 46.3 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -138.7 | 168.9 | 178.8 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 448 | T | 42.2 | Very low | 46.4 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | 123.9 | 145.7 | 144.2 | 64.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 449 | A | 41.2 | Very low | 46.2 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 64.9 | 145.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 450 | A | 41.8 | Very low | 45.6 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | cis | -159.7 | 165 | -18.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 451 | Y | 40.4 | Very low | 44.9 | Very low | 227 Ų | 227 | 124.9 Ų | 124.9 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 174.7 | 170.8 | -70.5 | -72.5 | 0 | 0 | 0 | 111.5 | ||||
| 452 | P | 45.6 | Very low | 44.1 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | -152.3 | 175.8 | 24.6 | 44.3 | -22.6 | 0 | 0 | 0 | 121.3 | ||||
| 453 | T | 43.1 | Very low | 43.8 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | 72.7 | 143.3 | 141.2 | -150.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 454 | S | 43.3 | Very low | 42.6 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 73.1 | 134.3 | 154.9 | -51.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 455 | G | 42.5 | Very low | 42.3 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | cis | 172.9 | 164.3 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 456 | V | 51 | Low | 41.8 | Very low | 150 Ų | 150 | 126 Ų | 126 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 55.3 | 138.2 | 164.6 | -62.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 457 | P | 46.2 | Very low | 41 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -117.2 | 158.4 | 170.2 | 40.6 | -31.2 | 0 | 0 | 0 | 115.7 | ||||
| 458 | A | 40.5 | Very low | 41 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -152.8 | 131.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 459 | V | 40.9 | Very low | 40.7 | Very low | 144 Ų | 144 | 127 Ų | 127 | 87% | 0.873 | 82% | 0.816 | S | S | * | * | 87.8 | 137.7 | 55.1 | 170.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 460 | A | 39.7 | Very low | 40.5 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | 74.5 | 145.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 461 | G | 40.2 | Very low | 40.4 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | -163.4 | 170.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 462 | A | 34.1 | Very low | 40.3 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | trans | -105.5 | 148 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 463 | Y | 42.6 | Very low | 40.2 | Very low | 220 Ų | 220 | 122.2 Ų | 122.2 | 86% | 0.863 | 81% | 0.806 | S | S | * | * | trans | -142.9 | 148.6 | 163 | 59.3 | -87.5 | 0 | 0 | 0 | 109.9 | ||||
| 464 | S | 35.4 | Very low | 40.1 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -97.3 | 159.4 | -178.2 | -49 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 465 | E | 39.7 | Very low | 39.8 | Very low | 192 Ų | 192 | 123.4 Ų | 123.4 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -151.4 | 156.4 | 143.5 | -126 | 171.5 | 175.7 | 0 | 0 | 111.9 | ||||
| 466 | V | 34.7 | Very low | 39.6 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -141.3 | 121.9 | -173.3 | 172.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 467 | T | 39.6 | Very low | 39.3 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -138.9 | 146.1 | 165.1 | 40.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 468 | N | 36.2 | Very low | 39.3 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -104.4 | 158.3 | -168.2 | 176.4 | 19.2 | 0 | 0 | 0 | 110.4 | ||||
| 469 | G | 35.7 | Very low | 39.3 | Very low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 140.7 | 113.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 470 | G | 37.3 | Very low | 39.6 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | 108.7 | 109.8 | 122.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 471 | S | 39.1 | Very low | 40 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 65.9 | 152.4 | 144 | -55.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 472 | S | 40.1 | Very low | 40.1 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | -170 | -171.9 | -19.9 | -81.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 473 | L | 41.7 | Very low | 40.4 | Very low | 135 Ų | 135 | 132 Ų | 132 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | cis | -161.2 | 147.9 | 7.1 | -162.7 | 73.3 | 0 | 0 | 0 | 109.3 | ||||
| 474 | N | 40.9 | Very low | 40.3 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 62.3 | 159.1 | 157.8 | -74.4 | -3.2 | 0 | 0 | 0 | 119.4 | ||||
| 475 | H | 38.3 | Very low | 40.3 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 57% | 0.574 | 77% | 0.772 | S | S | * | * | cis | -169.4 | 134 | -27.2 | -163.4 | 29.8 | 0 | 0 | 0 | 105.1 | ||||
| 476 | W | 38.3 | Very low | 40.3 | Very low | 215 Ų | 215 | 127.2 Ų | 127.2 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | -179 | 158.8 | 84.6 | -86.9 | 96.4 | 0 | 0 | 0 | 110.4 | |||||
| 477 | H | 43.5 | Very low | 40.5 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -119.3 | 172.8 | 169.4 | -127.8 | -119.1 | 0 | 0 | 0 | 108.3 | S479 | H477-S479 PolarHBondContact ND1-OG 3.45Å; H477-S479 VanDerWaalsContact ND1-OG 3.1Å | ||
| 478 | P | 46 | Very low | 40.4 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | -143.8 | -152.8 | 55.9 | 37.2 | -14.3 | 0 | 0 | 0 | 113.7 | |||||
| 479 | S | 41.4 | Very low | 40.6 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | -163.2 | -179.4 | -71.2 | -73.7 | 0 | 0 | 0 | 0 | 108.7 | H477 | H477-S479 PolarHBondContact ND1-OG 3.45Å; H477-S479 VanDerWaalsContact ND1-OG 3.1Å | |||
| 480 | V | 47.9 | Very low | 40.8 | Very low | 140 Ų | 140 | 124 Ų | 124 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -133.3 | 147.1 | -173.4 | -161.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 481 | P | 47.9 | Very low | 41.1 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -135.2 | 165.9 | 149.7 | 38.5 | -25.3 | 0 | 0 | 0 | 113.2 | ||||
| 482 | G | 42.4 | Very low | 41.4 | Very low | 70 Ų | 70 | 128.5 Ų | 128.5 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | 173.1 | 123.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 483 | S | 39.6 | Very low | 41.7 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | trans | 29 | 120.2 | 148.8 | 60.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 484 | A | 41.5 | Very low | 42.2 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | -164.2 | 134.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 485 | S | 33.6 | Very low | 42.3 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | 59.1 | 131.6 | 56.8 | -153 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 486 | W | 41 | Very low | 42.7 | Very low | 229 Ų | 229 | 125.6 Ų | 125.6 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | cis | -144.9 | 172 | 38.5 | -78 | 66.7 | 0 | 0 | 0 | 115.3 | ||||
| 487 | S | 39.1 | Very low | 43.5 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -47.5 | 167.5 | 164 | 45.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 488 | D | 36.9 | Very low | 43.8 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -178 | 173.9 | -13.1 | 172.9 | 45.7 | 0 | 0 | 0 | 109.8 | ||||
| 489 | S | 40 | Very low | 44.1 | Very low | 90 Ų | 90 | 120.5 Ų | 120.5 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | 92.2 | 131.9 | 145.8 | -94.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 490 | S | 40.7 | Very low | 44.2 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 67.5 | 138.5 | 160.1 | -66.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 491 | S | 43.7 | Very low | 43.6 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -170.9 | 171.9 | -7.2 | -99.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 492 | Q | 44.4 | Very low | 43.4 | Very low | 179 Ų | 179 | 119.6 Ų | 119.6 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | cis | -157 | 166.1 | 7.3 | -145 | -178.9 | 9.9 | 0 | 0 | 109.8 | ||||
| 493 | V | 46.5 | Very low | 43.4 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -150.6 | 154.3 | 169.6 | -75.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 494 | P | 52.1 | Low | 43.2 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -145.1 | 163.3 | 135.5 | 32 | -14.5 | 0 | 0 | 0 | 114.3 | ||||
| 495 | A | 44.3 | Very low | 43.6 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | cis | -170.5 | 163.8 | -18.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 496 | G | 46.1 | Very low | 44.2 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 100.5 | 144.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 497 | V | 54.4 | Low | 45.1 | Very low | 145 Ų | 145 | 120.3 Ų | 120.3 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | cis | -147.6 | 149.5 | -5.8 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 498 | P | 50.7 | Low | 45.4 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -121.5 | -164.2 | -156.1 | 35.1 | -17.1 | 0 | 0 | 0 | 117.3 | ||||
| 499 | V | 52 | Low | 45.4 | Very low | 129 Ų | 129 | 130 Ų | 130 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | 88 | 143.2 | 162.2 | -162.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 500 | P | 44.5 | Very low | 45.6 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | cis | -115.8 | -178.2 | -49.1 | 37.9 | -20.2 | 0 | 0 | 0 | 110.8 | ||||
| 501 | G | 35.2 | Very low | 45.8 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | 117.1 | 66.1 | 12.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 502 | T | 43.7 | Very low | 45.9 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -134.6 | 145.2 | 174.5 | -46.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 503 | A | 41 | Very low | 46.5 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -59.2 | 143.6 | -165 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 504 | M | 35.3 | Very low | 46.1 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | trans | -82.6 | 136.9 | 162.5 | -69.6 | -170 | 171.7 | 0 | 0 | 110.7 | ||||
| 505 | V | 50.4 | Low | 45.3 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -125.6 | 125.5 | 168.5 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 506 | P | 46.4 | Very low | 44.9 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 131.4 | 178.8 | 29.8 | -33 | 0 | 0 | 0 | 110.5 | ||
| 507 | P | 59.6 | Low | 44.4 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 136.8 | 166.6 | 29.4 | -32.7 | 0 | 0 | 0 | 109.5 | ||
| 508 | Y | 45.1 | Very low | 43.6 | Very low | 216 Ų | 216 | 144.3 Ų | 144.3 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 150.5 | -175.9 | -82.5 | -112.5 | 0 | 0 | 0 | 112.5 | L510 | Y508-L510 PolarHBondContact O-N 3.03Š|
| 509 | Y | 36.6 | Very low | 42.7 | Very low | 233 Ų | 233 | 142 Ų | 142 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.3 | 160.7 | -95.5 | -110.9 | 0 | 0 | 0 | 110 | ||
| 510 | L | 44.2 | Very low | 42.1 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -117.5 | 124.6 | 160 | -123.5 | 77.5 | 0 | 0 | 0 | 108.3 | Y508 | Y508-L510 PolarHBondContact O-N 3.03Š| ||
| 511 | P | 44.9 | Very low | 41.8 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -72.1 | 143.9 | 175.9 | 29.8 | -33.5 | 0 | 0 | 0 | 110.7 | ||||
| 512 | T | 47.7 | Very low | 41.9 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | -69.2 | 131.8 | 171.6 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | T514 | T512-T514 PolarHBondContact O-N 3.2Š| ||
| 513 | P | 55 | Low | 41.5 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 101.5 | 170.8 | 29.3 | -32.5 | 0 | 0 | 0 | 109.9 | ||||
| 514 | T | 39 | Very low | 41.8 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | -72.9 | 144.5 | 165.7 | 43.4 | 0 | 0 | 0 | 0 | 110.9 | T512 | T512-T514 PolarHBondContact O-N 3.2Š| ||
| 515 | D | 34.4 | Very low | 42 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 54.7 | 90.8 | 156.3 | -54.7 | -44.6 | 0 | 0 | 0 | 118.8 | ||||
| 516 | Y | 36.6 | Very low | 41.8 | Very low | 232 Ų | 232 | 143.2 Ų | 143.2 | 91% | 0.91 | 80% | 0.796 | S | S | * | * | trans | -137.7 | 53.5 | 159.4 | -116 | -81.8 | 0 | 0 | 0 | 112.8 | ||||
| 517 | W | 34.9 | Very low | 42 | Very low | 251 Ų | 251 | 143.3 Ų | 143.3 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | trans | -148.9 | 54.9 | 165.1 | -136.2 | -43.1 | 0 | 0 | 0 | 115 | ||||
| 518 | A | 38.4 | Very low | 41.9 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -105.1 | 141.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 519 | G | 32.4 | Very low | 42.9 | Very low | 63 Ų | 63 | 138.5 Ų | 138.5 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 104.7 | 39.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 520 | Y | 39.5 | Very low | 44.3 | Very low | 224 Ų | 224 | 134.5 Ų | 134.5 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 57.2 | 157 | -93.5 | -66.9 | 0 | 0 | 0 | 113.4 | G522 | Y520-G522 PolarHBondContact O-N 3.36Š| ||
| 521 | T | 36.8 | Very low | 45.7 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -72.4 | 78.2 | 161.4 | 48.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 522 | G | 37.5 | Very low | 47.2 | Very low | 48 Ų | 48 | 132.1 Ų | 132.1 | 50% | 0.495 | 78% | 0.781 | S | S | . | * | trans | -147.8 | 30.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y520 Y524 | Y520-G522 PolarHBondContact O-N 3.36Å; G522-Y524 PolarHBondContact O-N 3.3Å | ||
| 523 | G | 35.9 | Very low | 48.7 | Very low | 81 Ų | 81 | 132 Ų | 132 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 90.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A525 | G523-A525 PolarHBondContact O-N 3.19Š| ||
| 524 | Y | 46.1 | Very low | 49.8 | Very low | 207 Ų | 207 | 131.1 Ų | 131.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -60.1 | 125.6 | 157.7 | 49.5 | -87.3 | 0 | 0 | 0 | 108.2 | G522 A526 | G522-Y524 PolarHBondContact O-N 3.3Å; Y524-A526 PolarHBondContact O-N 2.82Å | ||
| 525 | A | 40.8 | Very low | 51.7 | Low | 98 Ų | 98 | 131.4 Ų | 131.4 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -70.5 | 95.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | G523 S527 | G523-A525 PolarHBondContact O-N 3.19Å; A525-S527 VanDerWaalsContact C-N 3.34Å; A525-S527 PolarHBondContact O-N 3.38Å | ||
| 526 | A | 45 | Very low | 53.8 | Low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | -63.4 | 97.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y524 V528 | Y524-A526 PolarHBondContact O-N 2.82Å; A526-V528 PolarHBondContact O-N 3.28Å | ||
| 527 | S | 51.9 | Low | 55.6 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 121.7 | 179.7 | 38.4 | 0 | 0 | 0 | 0 | 109.6 | A525 P529 | A525-S527 VanDerWaalsContact C-N 3.34Å; A525-S527 PolarHBondContact O-N 3.38Å; S527-P529 WeakPolarHBondContact O-CD 3.3Å |
| 528 | V | 58.3 | Low | 57.4 | Low | 126 Ų | 126 | 118 Ų | 118 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.1 | 166.2 | -179.8 | 0 | 0 | 0 | 0 | 106.5 | A526 N530 | A526-V528 PolarHBondContact O-N 3.28Å; V528-N530 PolarHBondContact O-N 2.99Å |
| 529 | P | 64 | Low | 58.6 | Low | 116 Ų | 116 | 117 Ų | 117 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 125.8 | 177 | -23.7 | 34.1 | 0 | 0 | 0 | 109.2 | S527 | S527-P529 WeakPolarHBondContact O-CD 3.3Š|
| 530 | N | 67.5 | Low | 59.1 | Low | 149 Ų | 149 | 124 Ų | 124 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 138.9 | 171.3 | -80.2 | -30.6 | 0 | 0 | 0 | 108.8 | V528 | V528-N530 PolarHBondContact O-N 2.99Š|
| 531 | P | 73 | Confident | 60 | Low | 111 Ų | 111 | 119.1 Ų | 119.1 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 140.3 | 173.7 | 25.7 | -33.8 | 0 | 0 | 0 | 109 | ||
| 532 | P | 77.3 | Confident | 61.3 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 142.9 | 179.3 | 26 | -34.2 | 0 | 0 | 0 | 109.7 | ||
| 533 | P | 77.7 | Confident | 62.6 | Low | 115 Ų | 115 | 121.1 Ų | 121.1 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 148.3 | 175 | 26.8 | -34.4 | 0 | 0 | 0 | 110.1 | ||
| 534 | P | 78.4 | Confident | 64.2 | Low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 146.9 | 175.1 | 26.8 | -34.5 | 0 | 0 | 0 | 110.2 | ||
| 535 | P | 80.3 | Confident | 65.3 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.9 | 176.6 | 27.3 | -34.7 | 0 | 0 | 0 | 110.1 | ||
| 536 | P | 76.7 | Confident | 66.9 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 147.9 | 172.1 | 27.5 | -34.5 | 0 | 0 | 0 | 109.8 | ||
| 537 | P | 75.9 | Confident | 68.5 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 147.1 | 174.3 | 26.6 | -34.4 | 0 | 0 | 0 | 110.2 | G539 | P537-G539 PolarHBondContact O-N 3.43Š|
| 538 | P | 72.7 | Confident | 69.8 | Low | 122 Ų | 122 | 123.4 Ų | 123.4 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 123.4 | 175.8 | 25.8 | -33.5 | 0 | 0 | 0 | 109.4 | ||
| 539 | G | 62.8 | Low | 70.7 | Confident | 83 Ų | 83 | 123.2 Ų | 123.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 133.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P537 | P537-G539 PolarHBondContact O-N 3.43Š|
| 540 | V | 42.2 | Very low | 71.3 | Confident | 212 Ų | 212 | 123.8 Ų | 123.8 | 100% | 1.285 | 81% | 0.809 | S | S | * | * | trans | -133.7 | 0 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 540 of 540 residues in 583 ms
(Link to these results)