| 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 | 51.5 | Low | 59 | Low | 219 Ų | 219 | 142.5 Ų | 142.5 | 100% | 1.079 | 80% | 0.799 | S | S | * | * | 0 | 118.4 | 0 | -65.6 | -71.7 | -107.8 | 0 | 0 | 107.6 | |||||
| 2 | P | 57.7 | Low | 58.6 | Low | 128 Ų | 128 | 145.2 Ų | 145.2 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 135.1 | 179.1 | 28.5 | -31.1 | 0 | 0 | 0 | 110.5 | ||
| 3 | I | 67.8 | Low | 57.6 | Low | 158 Ų | 158 | 145.9 Ų | 145.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 132.6 | 177.1 | -58.5 | 166.3 | 0 | 0 | 0 | 108 | S5 | I3-S5 PolarHBondContact O-N 3.07Š|
| 4 | P | 61.1 | Low | 57.2 | Low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122.1 | 174.3 | 26.9 | -31.6 | 0 | 0 | 0 | 110.6 | ||
| 5 | S | 68.3 | Low | 56.3 | Low | 97 Ų | 97 | 147.1 Ų | 147.1 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 123.2 | 172.2 | 170.7 | 0 | 0 | 0 | 0 | 110 | I3 H7 | I3-S5 PolarHBondContact O-N 3.07Å; S5-H7 PolarHBondContact O-N 2.89Å |
| 6 | I | 63.1 | Low | 55.4 | Low | 150 Ų | 150 | 148.1 Ų | 148.1 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 105.5 | 169.6 | -61.3 | 169.9 | 0 | 0 | 0 | 107.2 | V8 | I6-V8 HydrophobicContact CG2-CG2 4.34Å; I6-V8 PolarHBondContact O-N 3.4Å | ||
| 7 | H | 55.3 | Low | 54.8 | Low | 160 Ų | 160 | 147.4 Ų | 147.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -74.2 | 114.6 | 165.4 | -89.2 | 56.4 | 0 | 0 | 0 | 108.8 | S5 | S5-H7 PolarHBondContact O-N 2.89Š| ||
| 8 | V | 63.7 | Low | 54 | Low | 123 Ų | 123 | 147.7 Ų | 147.7 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -88.8 | 112.3 | 166.9 | -175.4 | 0 | 0 | 0 | 0 | 106.5 | I6 S10 | I6-V8 HydrophobicContact CG2-CG2 4.34Å; I6-V8 PolarHBondContact O-N 3.4Å; V8-S10 PolarHBondContact O-N 3.02Å; V8-S10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | N | 54.3 | Low | 53.8 | Low | 144 Ų | 144 | 150.7 Ų | 150.7 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 116.3 | 175.1 | -68.1 | -15.7 | 0 | 0 | 0 | 109.1 | I11 | N9-I11 PolarHBondContact O-N 3.28Š| ||
| 10 | S | 47.4 | Very low | 53.1 | Low | 115 Ų | 115 | 155 Ų | 155 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -60.6 | 112.5 | 164.5 | -64.3 | 0 | 0 | 0 | 0 | 108.1 | V8 E12 | V8-S10 PolarHBondContact O-N 3.02Å; V8-S10 VanDerWaalsContact O-N 3.15Å; S10-E12 PolarHBondContact O-N 2.98Å | ||
| 11 | I | 58.5 | Low | 52.8 | Low | 158 Ų | 158 | 155.1 Ų | 155.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -75.5 | 119.2 | 169.2 | -155.6 | 153.7 | 0 | 0 | 0 | 106.8 | N9 D13 | N9-I11 PolarHBondContact O-N 3.28Å; I11-D13 PolarHBondContact O-N 3.44Å | ||
| 12 | E | 54.7 | Low | 52.5 | Low | 175 Ų | 175 | 154.6 Ų | 154.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -64.6 | 122.1 | -178 | -67.3 | 172.9 | 161.1 | 0 | 0 | 109.8 | S10 T14 | S10-E12 PolarHBondContact O-N 2.98Å; E12-T14 PolarHBondContact O-N 2.92Å; E12-T14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | D | 45.9 | Very low | 52.2 | Low | 155 Ų | 155 | 158 Ų | 158 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -67.8 | 98.2 | 169.9 | -72.7 | -46.9 | 0 | 0 | 0 | 109.1 | I11 E15 | I11-D13 PolarHBondContact O-N 3.44Å; D13-E15 PolarHBondContact O-N 3.16Å | ||
| 14 | T | 51.3 | Low | 51.3 | Low | 134 Ų | 134 | 156 Ų | 156 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -84.3 | 103.8 | 163.3 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | E12 | E12-T14 PolarHBondContact O-N 2.92Å; E12-T14 VanDerWaalsContact O-N 3.1Å | ||
| 15 | E | 44 | Very low | 50.7 | Low | 175 Ų | 175 | 156.2 Ų | 156.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -50.7 | 128.5 | 164.9 | -66.6 | 175.4 | 142.1 | 0 | 0 | 111.6 | D13 | D13-E15 PolarHBondContact O-N 3.16Š| ||
| 16 | N | 42.6 | Very low | 50.2 | Low | 164 Ų | 164 | 158.9 Ų | 158.9 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | 149.5 | 99.2 | 147.5 | -83.4 | -45.5 | 0 | 0 | 0 | 110.2 | ||||
| 17 | D | 43.7 | Very low | 49.4 | Very low | 136 Ų | 136 | 156.9 Ų | 156.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | -168.6 | 125.5 | 116.3 | -148.5 | -14.2 | 0 | 0 | 0 | 110.4 | R19 | D17-R19 PolarHBondContact O-N 2.91Š| |||
| 18 | D | 42 | Very low | 48.9 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -102.9 | 82.8 | -166.1 | -160.1 | 4.8 | 0 | 0 | 0 | 108 | ||||
| 19 | R | 49.6 | Very low | 47.8 | Very low | 205 Ų | 205 | 159 Ų | 159 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | -139.1 | 86.3 | 176 | -65 | -168.5 | -161.9 | -163.4 | 4.9 | 113 | D17 N21 | D17-R19 PolarHBondContact O-N 2.91Å; R19-N21 PolarHBondContact O-N 2.94Å | ||
| 20 | R | 39.9 | Very low | 47.1 | Very low | 236 Ų | 236 | 162.8 Ų | 162.8 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | 12.1 | 101.6 | 138.8 | -60.4 | 177.8 | -136.8 | -174.8 | 3.5 | 114.8 | ||||
| 21 | N | 45.9 | Very low | 47 | Very low | 158 Ų | 158 | 164.2 Ų | 164.2 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -143.3 | 104.4 | 147.6 | -98.6 | -27.9 | 0 | 0 | 0 | 109.9 | R19 K23 | R19-N21 PolarHBondContact O-N 2.94Å; N21-K23 PolarHBondContact O-N 3.44Å | ||
| 22 | K | 45.5 | Very low | 46.4 | Very low | 208 Ų | 208 | 161.4 Ų | 161.4 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -56.4 | 114.9 | 170.6 | -73.7 | 173.4 | 174.6 | 177.7 | 0 | 108.6 | ||||
| 23 | K | 52 | Low | 45.7 | Very low | 200 Ų | 200 | 158.1 Ų | 158.1 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 128.9 | 167.4 | -66.6 | 176.4 | -179.1 | 174.7 | 0 | 108.3 | N21 | N21-K23 PolarHBondContact O-N 3.44Š|
| 24 | P | 49.7 | Very low | 45.6 | Very low | 116 Ų | 116 | 156.7 Ų | 156.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71 | 135.2 | 171.1 | 28.7 | -31 | 0 | 0 | 0 | 109.8 | I26 | P24-I26 PolarHBondContact O-N 2.96Š|
| 25 | S | 48.4 | Very low | 45 | Very low | 120 Ų | 120 | 157.6 Ų | 157.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 119.3 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 26 | I | 56.9 | Low | 45.5 | Very low | 153 Ų | 153 | 157.4 Ų | 157.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 122.9 | 175.1 | -52.6 | 169.9 | 0 | 0 | 0 | 107.4 | P24 | P24-I26 PolarHBondContact O-N 2.96Š|
| 27 | P | 46.2 | Very low | 45.3 | Very low | 107 Ų | 107 | 157.2 Ų | 157.2 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 137.5 | 172.3 | 29.6 | -31 | 0 | 0 | 0 | 110.2 | L29 | P27-L29 PolarHBondContact O-N 2.89Å; P27-L29 VanDerWaalsContact O-N 3.16Å |
| 28 | I | 45.2 | Very low | 45 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -63.2 | 109.7 | 176.7 | -64.6 | 166.1 | 0 | 0 | 0 | 108.6 | R30 | I28-R30 PolarHBondContact O-N 3.49Š| ||
| 29 | L | 41.2 | Very low | 45 | Very low | 162 Ų | 162 | 158.7 Ų | 158.7 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -75.1 | 107.3 | 169.6 | -94.3 | 156.1 | 0 | 0 | 0 | 109.1 | P27 V31 | P27-L29 PolarHBondContact O-N 2.89Å; P27-L29 VanDerWaalsContact O-N 3.16Å; L29-V31 PolarHBondContact O-N 3.28Å | ||
| 30 | R | 39.1 | Very low | 44.7 | Very low | 224 Ų | 224 | 157.8 Ų | 157.8 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -63.1 | 124.9 | 158.8 | -99.6 | 178.4 | 173.1 | 147.9 | -2.4 | 108 | I28 V32 | I28-R30 PolarHBondContact O-N 3.49Å; R30-V32 HydrophobicContact CB-CG2 4.41Å; R30-V32 PolarHBondContact O-N 3.48Å; R30-V32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | V | 45.8 | Very low | 44.7 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | -71.9 | 99.8 | 167.3 | 179.4 | 0 | 0 | 0 | 0 | 106.7 | L29 | L29-V31 PolarHBondContact O-N 3.28Š| ||
| 32 | V | 45.8 | Very low | 44.6 | Very low | 99 Ų | 99 | 153.6 Ų | 153.6 | 60% | 0.6 | 81% | 0.809 | S | S | * | * | trans | -96.8 | 124.9 | 166.5 | -179.3 | 0 | 0 | 0 | 0 | 106 | R30 D34 | R30-V32 HydrophobicContact CB-CG2 4.41Å; R30-V32 PolarHBondContact O-N 3.48Å; R30-V32 VanDerWaalsContact O-N 3.11Å; V32-D34 PolarHBondContact O-N 2.99Å; V32-D34 VanDerWaalsContact O-N 3.16Å | ||
| 33 | S | 39.8 | Very low | 44.6 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -70.3 | 99.9 | 171.4 | -53.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 34 | D | 43.2 | Very low | 44 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | trans | -93 | 102.6 | 169.7 | -73 | -26.9 | 0 | 0 | 0 | 108.4 | V32 M36 | V32-D34 PolarHBondContact O-N 2.99Å; V32-D34 VanDerWaalsContact O-N 3.16Å; D34-M36 PolarHBondContact O-N 3.33Å | ||
| 35 | D | 39.8 | Very low | 43.4 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -58.4 | 114.3 | 158.8 | -65.3 | -56.3 | 0 | 0 | 0 | 108.3 | ||||
| 36 | M | 53.4 | Low | 43.1 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -128.6 | 101.8 | 171.4 | -78.3 | -71.3 | 172.1 | 0 | 0 | 108.9 | D34 | D34-M36 PolarHBondContact O-N 3.33Š| ||
| 37 | D | 38.9 | Very low | 42.5 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -55.9 | 150.1 | 163.2 | -71.2 | -49.6 | 0 | 0 | 0 | 111.9 | ||||
| 38 | G | 36.5 | Very low | 42.6 | Very low | 76 Ų | 76 | 146.9 Ų | 146.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | 87.1 | 81.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 39 | R | 42.5 | Very low | 42.9 | Very low | 242 Ų | 242 | 145.8 Ų | 145.8 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -150.5 | 109.5 | 143.8 | -121.6 | 172.6 | -176 | 143.1 | 1.9 | 112.1 | N41 | R39-N41 PolarHBondContact O-N 2.97Š| ||
| 40 | E | 42.8 | Very low | 43.6 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -16.3 | 110.6 | 163.3 | -66 | 161.2 | -178.6 | 0 | 0 | 114.3 | D42 | E40-D42 PolarHBondContact O-N 3.32Š| ||
| 41 | N | 40.7 | Very low | 44.7 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -76.8 | 101.8 | 159 | -76.6 | -32.8 | 0 | 0 | 0 | 107.1 | R39 V43 | R39-N41 PolarHBondContact O-N 2.97Å; N41-V43 VanDerWaalsContact C-N 3.29Å; N41-V43 HydrophobicContact CB-CG2 4.4Å; N41-V43 PolarHBondContact O-N 3.1Å | ||
| 42 | D | 43.6 | Very low | 45.5 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -63.3 | 99.3 | 153.6 | -92.8 | -33.9 | 0 | 0 | 0 | 107 | E40 N44 | E40-D42 PolarHBondContact O-N 3.32Å; D42-N44 PolarHBondContact O-N 3.46Å; D42-N44 VanDerWaalsContact O-N 3.13Å | ||
| 43 | V | 44.7 | Very low | 47.1 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | trans | -74.9 | 94.9 | 170.6 | -168.8 | 0 | 0 | 0 | 0 | 105.7 | N41 S45 | N41-V43 VanDerWaalsContact C-N 3.29Å; N41-V43 HydrophobicContact CB-CG2 4.4Å; N41-V43 PolarHBondContact O-N 3.1Å; V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 3.49Å | ||
| 44 | N | 40.8 | Very low | 48.8 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -62.7 | 99.7 | 162 | -83.4 | -17.2 | 0 | 0 | 0 | 107.3 | D42 D46 | D42-N44 PolarHBondContact O-N 3.46Å; D42-N44 VanDerWaalsContact O-N 3.13Å; N44-D46 PolarHBondContact O-N 3.04Å; N44-D46 VanDerWaalsContact O-N 3.07Å | ||
| 45 | S | 36.8 | Very low | 50.1 | Low | 90 Ų | 90 | 137.4 Ų | 137.4 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | trans | -70.1 | 79 | 157.8 | 56.7 | 0 | 0 | 0 | 0 | 107.7 | V43 D47 | V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 3.49Å; S45-D47 PolarHBondContact O-N 3.35Å | ||
| 46 | D | 42.6 | Very low | 51.6 | Low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | -83.4 | 86.7 | 155.3 | -77.9 | -34.8 | 0 | 0 | 0 | 105.5 | N44 D48 | N44-D46 PolarHBondContact O-N 3.04Å; N44-D46 VanDerWaalsContact O-N 3.07Å; D46-D48 PolarHBondContact O-N 3.49Å | ||
| 47 | D | 43.4 | Very low | 52.3 | Low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | -62 | 83.3 | 160.9 | -75.1 | -44.8 | 0 | 0 | 0 | 107.2 | S45 D49 | S45-D47 PolarHBondContact O-N 3.35Å; D47-D49 VanDerWaalsContact C-N 3.33Å; D47-D49 PolarHBondContact O-N 2.96Å; D47-D49 VanDerWaalsContact O-N 3.1Å | ||
| 48 | D | 49 | Very low | 53.8 | Low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -70.4 | 98.9 | 159.6 | -80.8 | -41.3 | 0 | 0 | 0 | 106.2 | D46 D50 | D46-D48 PolarHBondContact O-N 3.49Å; D48-D50 PolarHBondContact O-N 3.27Å | ||
| 49 | D | 50.2 | Low | 55.3 | Low | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | trans | -46.7 | 106.8 | 165.9 | -73.8 | -55.3 | 0 | 0 | 0 | 108.8 | D47 V51 | D47-D49 VanDerWaalsContact C-N 3.33Å; D47-D49 PolarHBondContact O-N 2.96Å; D47-D49 VanDerWaalsContact O-N 3.1Å; D49-V51 HydrophobicContact CB-CG2 4.5Å; D49-V51 PolarHBondContact O-N 3.5Å | ||
| 50 | D | 56.4 | Low | 56.4 | Low | 156 Ų | 156 | 118.2 Ų | 118.2 | 83% | 0.834 | 65% | 0.654 | S | S | * | * | trans | -63.2 | 81 | 168.3 | -80.7 | -40 | 0 | 0 | 0 | 108.2 | D48 M52 | D48-D50 PolarHBondContact O-N 3.27Å; D50-M52 PolarHBondContact O-N 3.44Å | ||
| 51 | V | 62.8 | Low | 57.3 | Low | 125 Ų | 125 | 111.2 Ų | 111.2 | 76% | 0.758 | 63% | 0.627 | S | S | * | * | trans | -64.5 | 102 | 169.4 | 179.5 | 0 | 0 | 0 | 0 | 106.2 | D49 T53 | D49-V51 HydrophobicContact CB-CG2 4.5Å; D49-V51 PolarHBondContact O-N 3.5Å; V51-T53 PolarHBondContact O-N 3.23Å; V51-T53 VanDerWaalsContact O-N 3.15Å | ||
| 52 | M | 62.8 | Low | 58.4 | Low | 72 Ų | 72 | 114 Ų | 114 | 36% | 0.355 | 63% | 0.626 | S | S | . | * | trans | -44 | 123.1 | 173.2 | -64.8 | -62 | -83.7 | 0 | 0 | 109.1 | D50 E56 E57 I60 | D50-M52 PolarHBondContact O-N 3.44Å; M52-E56 HydrophobicContact CB-CB 4.44Å; M52-E56 HydrophobicContact CE-CB 3.71Å; M52-E56 HydrophobicContact CE-CG 3.75Å; M52-E56 HydrophobicContact SD-CB 4.44Å; M52-E57 HydrophobicContact CB-CB 4.3Å; M52-I60 HydrophobicContact CE-CD1 3.22Å; M52-I60 HydrophobicContact CE-CG1 4.31Å | ||
| 53 | T | 78.1 | Confident | 59.2 | Low | 83 Ų | 83 | 116.2 Ų | 116.2 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | trans | -58.3 | 146 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | V51 E55 E56 E57 | V51-T53 PolarHBondContact O-N 3.23Å; V51-T53 VanDerWaalsContact O-N 3.15Å; T53-E55 PolarHBondContact O-N 3.05Å; T53-E56 WeakPolarHBondContact O-CA 3.49Å; T53-E56 WeakPolarHBondContact O-CB 3.43Å; T53-E56 PolarHBondContact O-N 3.34Å; T53-E57 PolarHBondContact O-N 3.18Å | ||
| 54 | A | 75.5 | Confident | 59.6 | Low | 82 Ų | 82 | 117.8 Ų | 117.8 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -54.1 | -24.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A58 | A54-A58 WeakPolarHBondContact O-CB 3.26Å; A54-A58 PolarHBondContact O-N 3.44Å |
| 55 | E | 71.2 | Confident | 60.1 | Low | 166 Ų | 166 | 118 Ų | 118 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.2 | -40.7 | 172.7 | -170.4 | 168.8 | -169.6 | 0 | 0 | 113 | T53 A59 | T53-E55 PolarHBondContact O-N 3.05Å; E55-A59 WeakPolarHBondContact O-CB 3.48Å; E55-A59 PolarHBondContact O-N 3.28Å |
| 56 | E | 70.6 | Confident | 60.5 | Low | 103 Ų | 103 | 117 Ų | 117 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.6 | -41.7 | 174.4 | -123.5 | 173.1 | 166 | 0 | 0 | 112.2 | M52 T53 A59 I60 | M52-E56 HydrophobicContact CB-CB 4.44Å; M52-E56 HydrophobicContact CE-CB 3.71Å; M52-E56 HydrophobicContact CE-CG 3.75Å; M52-E56 HydrophobicContact SD-CB 4.44Å; T53-E56 WeakPolarHBondContact O-CA 3.49Å; T53-E56 WeakPolarHBondContact O-CB 3.43Å; T53-E56 PolarHBondContact O-N 3.34Å; E56-A59 PolarHBondContact O-N 2.94Å; E56-I60 WeakPolarHBondContact O-CG1 3.4Å; E56-I60 PolarHBondContact O-N 3.38Å |
| 57 | E | 68 | Low | 60.1 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.2 | -42.6 | 174.2 | -164.1 | -177.9 | -172.6 | 0 | 0 | 110.7 | M52 T53 A59 I60 A61 | M52-E57 HydrophobicContact CB-CB 4.3Å; T53-E57 PolarHBondContact O-N 3.18Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 3.18Å; E57-I60 PolarHBondContact O-N 2.97Å; E57-A61 WeakPolarHBondContact O-CB 3.37Å; E57-A61 PolarHBondContact O-N 3Å |
| 58 | A | 70.2 | Confident | 59.5 | Low | 34 Ų | 34 | 114 Ų | 114 | 28% | 0.281 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.6 | -31 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A54 R62 | A54-A58 WeakPolarHBondContact O-CB 3.26Å; A54-A58 PolarHBondContact O-N 3.44Å; A58-R62 WeakPolarHBondContact O-CB 3.4Å; A58-R62 VanDerWaalsContact O-CG 3.23Å; A58-R62 WeakPolarHBondContact O-CG 3.48Å; A58-R62 PolarHBondContact O-N 2.88Å; A58-R62 PolarHBondContact O-NE 3.37Å |
| 59 | A | 69.6 | Low | 59 | Low | 56 Ų | 56 | 114.4 Ų | 114.4 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.2 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E55 E56 E57 R63 | E55-A59 WeakPolarHBondContact O-CB 3.48Å; E55-A59 PolarHBondContact O-N 3.28Å; E56-A59 PolarHBondContact O-N 2.94Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 3.18Å; A59-R63 WeakPolarHBondContact O-CB 3.47Å; A59-R63 PolarHBondContact O-N 3.01Å; A59-R63 VanDerWaalsContact O-N 3.16Å |
| 60 | I | 65.5 | Low | 58.2 | Low | 78 Ų | 78 | 116.4 Ų | 116.4 | 40% | 0.4 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.1 | -41.2 | 174.1 | -67.1 | -179.2 | 0 | 0 | 0 | 110.6 | M52 E56 E57 R62 R63 F64 | M52-I60 HydrophobicContact CE-CD1 3.22Å; M52-I60 HydrophobicContact CE-CG1 4.31Å; E56-I60 WeakPolarHBondContact O-CG1 3.4Å; E56-I60 PolarHBondContact O-N 3.38Å; E57-I60 PolarHBondContact O-N 2.97Å; I60-R62 PolarHBondContact O-N 3.34Å; I60-R63 CarbonylContact O-C 3.59Å; I60-R63 WeakPolarHBondContact O-CA 3.43Å; I60-R63 WeakPolarHBondContact O-CB 3.39Å; I60-R63 PolarHBondContact O-N 3.12Å; I60-F64 HydrophobicContact CG2-CD2 3.61Å; I60-F64 HydrophobicContact CG2-CE2 4.01Å; I60-F64 WeakPolarHBondContact O-CD2 3.22Å; I60-F64 PolarHBondContact O-N 3.49Å |
| 61 | A | 60.8 | Low | 57.4 | Low | 38 Ų | 38 | 114.6 Ų | 114.6 | 31% | 0.314 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -57.5 | -44.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E57 R63 F64 L65 | E57-A61 WeakPolarHBondContact O-CB 3.37Å; E57-A61 PolarHBondContact O-N 3Å; A61-R63 PolarHBondContact O-N 2.82Å; A61-F64 PolarHBondContact O-N 3.33Å; A61-L65 HydrophobicContact CB-CD1 3.97Å; A61-L65 WeakPolarHBondContact O-CA 3.36Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 PolarHBondContact O-N 2.83Å |
| 62 | R | 64 | Low | 56.3 | Low | 208 Ų | 208 | 116.6 Ų | 116.6 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.6 | -27.6 | 173.3 | -73.7 | 177.5 | -133 | -119.8 | 7.7 | 113.4 | A58 I60 | A58-R62 WeakPolarHBondContact O-CB 3.4Å; A58-R62 VanDerWaalsContact O-CG 3.23Å; A58-R62 WeakPolarHBondContact O-CG 3.48Å; A58-R62 PolarHBondContact O-N 2.88Å; A58-R62 PolarHBondContact O-NE 3.37Å; I60-R62 PolarHBondContact O-N 3.34Å |
| 63 | R | 59.6 | Low | 55.3 | Low | 204 Ų | 204 | 122.3 Ų | 122.3 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83.2 | -32 | -179.7 | -164.5 | 178.6 | -171.6 | -160.7 | 1.2 | 113.3 | A59 I60 A61 | A59-R63 WeakPolarHBondContact O-CB 3.47Å; A59-R63 PolarHBondContact O-N 3.01Å; A59-R63 VanDerWaalsContact O-N 3.16Å; I60-R63 CarbonylContact O-C 3.59Å; I60-R63 WeakPolarHBondContact O-CA 3.43Å; I60-R63 WeakPolarHBondContact O-CB 3.39Å; I60-R63 PolarHBondContact O-N 3.12Å; A61-R63 PolarHBondContact O-N 2.82Å |
| 64 | F | 54.5 | Low | 54.1 | Low | 155 Ų | 155 | 128.4 Ų | 128.4 | 68% | 0.68 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -109.1 | -25.7 | -174.2 | -77.1 | -86.3 | 0 | 0 | 0 | 114.5 | I60 A61 G66 | I60-F64 HydrophobicContact CG2-CD2 3.61Å; I60-F64 HydrophobicContact CG2-CE2 4.01Å; I60-F64 WeakPolarHBondContact O-CD2 3.22Å; I60-F64 PolarHBondContact O-N 3.49Å; A61-F64 PolarHBondContact O-N 3.33Å; F64-G66 VanDerWaalsContact C-N 3.31Å |
| 65 | L | 50.9 | Low | 53.1 | Low | 143 Ų | 143 | 135.7 Ų | 135.7 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -88.8 | 4.1 | 173.6 | -64.2 | 163.9 | 0 | 0 | 0 | 113 | A61 G67 | A61-L65 HydrophobicContact CB-CD1 3.97Å; A61-L65 WeakPolarHBondContact O-CA 3.36Å; A61-L65 WeakPolarHBondContact O-CB 3.48Å; A61-L65 PolarHBondContact O-N 2.83Å; L65-G67 PolarHBondContact O-N 3.2Å |
| 66 | G | 44.1 | Very low | 52.7 | Low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | trans | -71.9 | 44.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F64 | F64-G66 VanDerWaalsContact C-N 3.31Š| ||
| 67 | G | 34.1 | Very low | 53 | Low | 60 Ų | 60 | 131 Ų | 131 | 62% | 0.619 | 66% | 0.661 | S | S | * | * | trans | -95.4 | 117.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | L65 | L65-G67 PolarHBondContact O-N 3.2Š| ||
| 68 | N | 32.4 | Very low | 53.5 | Low | 146 Ų | 146 | 129.6 Ų | 129.6 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 77.7 | 54.5 | 154 | -144.8 | 70.5 | 0 | 0 | 0 | 118.1 | ||
| 69 | D | 37.1 | Very low | 54 | Low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 68% | 0.679 | S | S | * | * | trans | -133.6 | 123.4 | 148.2 | -103.5 | -25.5 | 0 | 0 | 0 | 110.1 | T71 | D69-T71 PolarHBondContact O-N 3.49Š| ||
| 70 | H | 33.9 | Very low | 54.5 | Low | 186 Ų | 186 | 133.9 Ų | 133.9 | 86% | 0.861 | 68% | 0.675 | S | S | * | * | trans | -67 | 66 | 176.2 | -67.2 | -70.4 | 0 | 0 | 0 | 111.1 | ||||
| 71 | T | 39.4 | Very low | 55.1 | Low | 119 Ų | 119 | 134.6 Ų | 134.6 | 73% | 0.73 | 68% | 0.678 | S | S | * | * | trans | -92.6 | 100.7 | 155.7 | -5 | 0 | 0 | 0 | 0 | 104.6 | D69 Q73 | D69-T71 PolarHBondContact O-N 3.49Å; T71-Q73 PolarHBondContact O-N 2.79Å | ||
| 72 | E | 40 | Very low | 55.7 | Low | 167 Ų | 167 | 140.7 Ų | 140.7 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | trans | -43.3 | 106.5 | 178.6 | -66.6 | -177.5 | 162.2 | 0 | 0 | 109.3 | R74 | E72-R74 PolarHBondContact O-N 2.84Š| ||
| 73 | Q | 41.9 | Very low | 56.4 | Low | 191 Ų | 191 | 136.8 Ų | 136.8 | 89% | 0.893 | 69% | 0.688 | S | S | * | * | trans | -64.5 | 80.6 | 160.9 | -74.1 | -179.3 | -7.2 | 0 | 0 | 105.5 | T71 R75 | T71-Q73 PolarHBondContact O-N 2.79Å; Q73-R75 PolarHBondContact O-N 3.18Å | ||
| 74 | R | 52.7 | Low | 57.1 | Low | 211 Ų | 211 | 130.6 Ų | 130.6 | 80% | 0.796 | 68% | 0.676 | S | S | * | * | trans | -53.3 | 115.9 | 162.5 | -97.7 | -175.1 | 176.1 | -116.5 | -0.8 | 104.8 | E72 M76 | E72-R74 PolarHBondContact O-N 2.84Å; R74-M76 PolarHBondContact O-N 2.89Å | ||
| 75 | R | 54.2 | Low | 57.8 | Low | 235 Ų | 235 | 128.3 Ų | 128.3 | 89% | 0.887 | 67% | 0.667 | S | S | * | * | trans | -50.4 | 119.3 | 163.6 | -66.2 | -176.8 | 105.2 | 88 | -2.3 | 105 | Q73 S77 | Q73-R75 PolarHBondContact O-N 3.18Å; R75-S77 PolarHBondContact O-N 2.66Å; R75-S77 VanDerWaalsContact O-N 3.11Å | ||
| 76 | M | 62.6 | Low | 58.4 | Low | 109 Ų | 109 | 126.6 Ų | 126.6 | 54% | 0.537 | 67% | 0.665 | S | S | . | * | trans | -43.2 | 124.8 | 175.2 | -74.1 | -81.2 | -81.6 | 0 | 0 | 107.4 | R74 D80 | R74-M76 PolarHBondContact O-N 2.89Å; M76-D80 HydrophobicContact CB-CB 4.1Å; M76-D80 HydrophobicContact CE-CB 3.46Å; M76-D80 VanDerWaalsContact CE-CB 3.46Å; M76-D80 HydrophobicContact SD-CB 3.74Å | ||
| 77 | S | 78.4 | Confident | 59.1 | Low | 62 Ų | 62 | 131.7 Ų | 131.7 | 43% | 0.434 | 67% | 0.67 | S | S | . | * | trans | -52.6 | 150.7 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | R75 L79 D80 M81 | R75-S77 PolarHBondContact O-N 2.66Å; R75-S77 VanDerWaalsContact O-N 3.11Å; S77-L79 CarbonylContact O-C 3.56Å; S77-L79 PolarHBondContact O-N 2.98Å; S77-D80 PolarHBondContact N-OD2 3.26Å; S77-D80 PolarHBondContact O-N 3.33Å; S77-M81 PolarHBondContact O-N 3.16Å | ||
| 78 | S | 78.3 | Confident | 60 | Low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -28.8 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | Y82 | S78-Y82 PolarHBondContact O-N 3.15Š|
| 79 | L | 81.1 | Confident | 61.1 | Low | 106 Ų | 106 | 135.8 Ų | 135.8 | 56% | 0.555 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -46.1 | 173.4 | -170.9 | 63 | 0 | 0 | 0 | 113.3 | S77 M81 Y82 L83 | S77-L79 CarbonylContact O-C 3.56Å; S77-L79 PolarHBondContact O-N 2.98Å; L79-M81 VanDerWaalsContact C-N 3.25Å; L79-M81 PolarHBondContact O-N 2.92Å; L79-Y82 WeakPolarHBondContact O-CA 3.37Å; L79-Y82 WeakPolarHBondContact O-CB 3.4Å; L79-Y82 PolarHBondContact O-N 3.48Å; L79-L83 HydrophobicContact CD1-CD1 4.32Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 WeakPolarHBondContact O-CG 3.28Å; L79-L83 PolarHBondContact O-N 3.36Å |
| 80 | D | 78.6 | Confident | 61.6 | Low | 73 Ų | 73 | 137.4 Ų | 137.4 | 39% | 0.39 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -66.1 | -31.8 | 177.9 | -65.8 | -34.7 | 0 | 0 | 0 | 111.6 | M76 S77 Y82 S84 | M76-D80 HydrophobicContact CB-CB 4.1Å; M76-D80 HydrophobicContact CE-CB 3.46Å; M76-D80 VanDerWaalsContact CE-CB 3.46Å; M76-D80 HydrophobicContact SD-CB 3.74Å; S77-D80 PolarHBondContact N-OD2 3.26Å; S77-D80 PolarHBondContact O-N 3.33Å; D80-Y82 VanDerWaalsContact C-N 3.27Å; D80-Y82 PolarHBondContact O-N 2.84Å; D80-S84 WeakPolarHBondContact O-CB 3.43Å; D80-S84 PolarHBondContact O-N 3.48Å; D80-S84 PolarHBondContact O-OG 3.34Å |
| 81 | M | 77.6 | Confident | 62.1 | Low | 93 Ų | 93 | 136.6 Ų | 136.6 | 46% | 0.458 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -72.3 | -20.6 | 173.1 | -160.5 | 171.3 | 65.8 | 0 | 0 | 112.7 | S77 L79 Q85 | S77-M81 PolarHBondContact O-N 3.16Å; L79-M81 VanDerWaalsContact C-N 3.25Å; L79-M81 PolarHBondContact O-N 2.92Å; M81-Q85 WeakPolarHBondContact O-CG 3.48Å; M81-Q85 PolarHBondContact O-NE2 2.85Å |
| 82 | Y | 74.7 | Confident | 62.6 | Low | 167 Ų | 167 | 134.2 Ų | 134.2 | 66% | 0.655 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -86.6 | -39.7 | 174 | -157.2 | -94.5 | 0 | 0 | 0 | 111.3 | S78 L79 D80 Q85 | S78-Y82 PolarHBondContact O-N 3.15Å; L79-Y82 WeakPolarHBondContact O-CA 3.37Å; L79-Y82 WeakPolarHBondContact O-CB 3.4Å; L79-Y82 PolarHBondContact O-N 3.48Å; D80-Y82 VanDerWaalsContact C-N 3.27Å; D80-Y82 PolarHBondContact O-N 2.84Å; Y82-Q85 WeakPolarHBondContact O-CB 3.46Å; Y82-Q85 PolarHBondContact O-N 3.48Å |
| 83 | L | 79.3 | Confident | 62.8 | Low | 126 Ų | 126 | 134.6 Ų | 134.6 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.1 | -24.2 | 179.4 | -67.9 | 170.7 | 0 | 0 | 0 | 113.5 | L79 Q85 | L79-L83 HydrophobicContact CD1-CD1 4.32Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 WeakPolarHBondContact O-CG 3.28Å; L79-L83 PolarHBondContact O-N 3.36Å; L83-Q85 VanDerWaalsContact C-N 3.34Å |
| 84 | S | 73.9 | Confident | 62.8 | Low | 73 Ų | 73 | 130 Ų | 130 | 51% | 0.51 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -5.4 | 173.7 | 60.6 | 0 | 0 | 0 | 0 | 113.7 | D80 | D80-S84 WeakPolarHBondContact O-CB 3.43Å; D80-S84 PolarHBondContact O-N 3.48Å; D80-S84 PolarHBondContact O-OG 3.34Å |
| 85 | Q | 69.5 | Low | 62.6 | Low | 108 Ų | 108 | 127.2 Ų | 127.2 | 51% | 0.505 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -64.6 | 125.6 | 168.4 | -73 | 173.1 | 33.5 | 0 | 0 | 107.2 | M81 Y82 L83 E87 | M81-Q85 WeakPolarHBondContact O-CG 3.48Å; M81-Q85 PolarHBondContact O-NE2 2.85Å; Y82-Q85 WeakPolarHBondContact O-CB 3.46Å; Y82-Q85 PolarHBondContact O-N 3.48Å; L83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-E87 PolarHBondContact O-N 3.1Å; Q85-E87 VanDerWaalsContact O-N 3.11Å |
| 86 | P | 62.4 | Low | 62.1 | Low | 107 Ų | 107 | 122.1 Ų | 122.1 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | trans | -53.1 | 128.2 | 170.3 | 23.2 | -31.4 | 0 | 0 | 0 | 106.5 | V88 | P86-V88 VanDerWaalsContact C-N 3.3Å; P86-V88 PolarHBondContact O-N 2.95Å | ||
| 87 | E | 59 | Low | 61.4 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | trans | -53.1 | 102.2 | 176 | -80.1 | -160 | 163.8 | 0 | 0 | 107.8 | Q85 K89 | Q85-E87 PolarHBondContact O-N 3.1Å; Q85-E87 VanDerWaalsContact O-N 3.11Å; E87-K89 PolarHBondContact O-N 3.32Å | ||
| 88 | V | 54 | Low | 60.2 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | trans | -72.7 | 86 | 169.1 | -176.9 | 0 | 0 | 0 | 0 | 103.6 | P86 Q90 | P86-V88 VanDerWaalsContact C-N 3.3Å; P86-V88 PolarHBondContact O-N 2.95Å; V88-Q90 PolarHBondContact O-N 2.82Å | ||
| 89 | K | 55 | Low | 59.3 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 74% | 0.735 | 64% | 0.636 | S | S | * | * | trans | -47.1 | 113.7 | 162 | -68.8 | -177.6 | -179.4 | 178 | 0 | 104.6 | E87 E91 | E87-K89 PolarHBondContact O-N 3.32Å; K89-E91 PolarHBondContact O-N 3.35Å | ||
| 90 | Q | 46.2 | Very low | 58.5 | Low | 184 Ų | 184 | 125.3 Ų | 125.3 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | trans | -60.4 | 93.7 | 175.4 | -71.8 | -177.3 | -13.5 | 0 | 0 | 105.9 | V88 P92 | V88-Q90 PolarHBondContact O-N 2.82Å; Q90-P92 VanDerWaalsContact O-CD 3.3Å; Q90-P92 WeakPolarHBondContact O-CD 3.37Å; Q90-P92 VanDerWaalsContact O-N 3.12Å | ||
| 91 | E | 46.1 | Very low | 57.8 | Low | 169 Ų | 169 | 124.2 Ų | 124.2 | 79% | 0.79 | 62% | 0.624 | S | S | * | * | trans | -63.2 | 117.4 | 169.2 | -71.7 | -167 | 159.8 | 0 | 0 | 104.9 | K89 M93 | K89-E91 PolarHBondContact O-N 3.35Å; E91-M93 PolarHBondContact O-N 3.08Å | ||
| 92 | P | 48.1 | Very low | 57.4 | Low | 70 Ų | 70 | 126.3 Ų | 126.3 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | trans | -63 | 116.7 | -178.8 | 29.7 | -35.3 | 0 | 0 | 0 | 105.7 | Q90 I94 | Q90-P92 VanDerWaalsContact O-CD 3.3Å; Q90-P92 WeakPolarHBondContact O-CD 3.37Å; Q90-P92 VanDerWaalsContact O-N 3.12Å; P92-I94 HydrophobicContact CB-CD1 3.97Å; P92-I94 HydrophobicContact CB-CG1 3.73Å; P92-I94 HydrophobicContact CG-CD1 4.12Å; P92-I94 HydrophobicContact CG-CG1 4.19Å; P92-I94 PolarHBondContact O-N 3.4Å | ||
| 93 | M | 44.6 | Very low | 57.4 | Low | 174 Ų | 174 | 122 Ų | 122 | 86% | 0.857 | 62% | 0.616 | S | S | * | * | trans | -69.7 | 68.3 | 174.8 | -168.4 | -162.7 | -38 | 0 | 0 | 108 | E91 I95 | E91-M93 PolarHBondContact O-N 3.08Å; M93-I95 PolarHBondContact O-N 2.83Å | ||
| 94 | I | 42.3 | Very low | 57 | Low | 94 Ų | 94 | 118.4 Ų | 118.4 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | trans | -93.3 | 102.5 | 175.6 | -41.1 | -179.7 | 0 | 0 | 0 | 105.3 | P92 N96 R97 | P92-I94 HydrophobicContact CB-CD1 3.97Å; P92-I94 HydrophobicContact CB-CG1 3.73Å; P92-I94 HydrophobicContact CG-CD1 4.12Å; P92-I94 HydrophobicContact CG-CG1 4.19Å; P92-I94 PolarHBondContact O-N 3.4Å; I94-N96 VanDerWaalsContact CG2-C 3.4Å; I94-N96 PolarHBondContact O-N 3.28Å; I94-R97 HydrophobicContact CB-CB 3.95Å; I94-R97 HydrophobicContact CD1-CG 4.41Å; I94-R97 HydrophobicContact CG2-CB 4.5Å; I94-R97 PolarHBondContact O-N 3.48Å | ||
| 95 | I | 47.9 | Very low | 56.9 | Low | 153 Ų | 153 | 118 Ų | 118 | 79% | 0.785 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -12.1 | 171.6 | -70.7 | 171.3 | 0 | 0 | 0 | 111.3 | M93 | M93-I95 PolarHBondContact O-N 2.83Š|
| 96 | N | 44.6 | Very low | 57.4 | Low | 128 Ų | 128 | 118.8 Ų | 118.8 | 68% | 0.684 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 47.9 | 169 | -64.5 | -10.2 | 0 | 0 | 0 | 112.3 | I94 H98 | I94-N96 VanDerWaalsContact CG2-C 3.4Å; I94-N96 PolarHBondContact O-N 3.28Å; N96-H98 PolarHBondContact O-N 2.99Å |
| 97 | R | 48.7 | Very low | 58.2 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | trans | -62.4 | 110.9 | 169.1 | -166.3 | 170.1 | 165.9 | 176 | -8.1 | 106.2 | I94 I99 E103 | I94-R97 HydrophobicContact CB-CB 3.95Å; I94-R97 HydrophobicContact CD1-CG 4.41Å; I94-R97 HydrophobicContact CG2-CB 4.5Å; I94-R97 PolarHBondContact O-N 3.48Å; R97-I99 PolarHBondContact O-N 3.44Å; R97-E103 IonicContact CZ-OE1 3.88Å; R97-E103 IonicContact NH2-OE1 2.64Å; R97-E103 PolarHBondContact NH2-OE1 2.92Å; R97-E103 IonicContact NH2-OE2 2.98Å | ||
| 98 | H | 51.8 | Low | 58.8 | Low | 167 Ų | 167 | 107.9 Ų | 107.9 | 77% | 0.773 | 54% | 0.538 | S | S | * | . | trans | -60.8 | 95.9 | 163.1 | -71.5 | -73.7 | 0 | 0 | 0 | 105.7 | N96 S100 | N96-H98 PolarHBondContact O-N 2.99Å; H98-S100 PolarHBondContact O-N 3.04Å; H98-S100 VanDerWaalsContact O-N 3.16Å | ||
| 99 | I | 59.5 | Low | 60.1 | Low | 90 Ų | 90 | 106.8 Ų | 106.8 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | trans | -53.7 | 123.7 | 170.6 | -58.6 | 173.8 | 0 | 0 | 0 | 104.3 | R97 L101 E103 E104 | R97-I99 PolarHBondContact O-N 3.44Å; I99-L101 PolarHBondContact O-N 3.26Å; I99-E103 HydrophobicContact CG2-CB 3.37Å; I99-E103 HydrophobicContact CG2-CG 4.5Å; I99-E104 HydrophobicContact CB-CG 3.79Å; I99-E104 HydrophobicContact CG2-CB 4.44Å; I99-E104 HydrophobicContact CG2-CG 3.44Å; I99-E104 VanDerWaalsContact CG2-CG 3.44Å | ||
| 100 | S | 63.9 | Low | 61.5 | Low | 62 Ų | 62 | 101.5 Ų | 101.5 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | trans | -57.8 | 143.3 | -179.7 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | H98 K102 E103 E104 | H98-S100 PolarHBondContact O-N 3.04Å; H98-S100 VanDerWaalsContact O-N 3.16Å; S100-K102 PolarHBondContact O-N 3.27Å; S100-E103 PolarHBondContact N-OE2 3.33Å; S100-E103 CarbonylContact O-C 3.57Å; S100-E103 WeakPolarHBondContact O-CA 3.05Å; S100-E103 WeakPolarHBondContact O-CB 3.41Å; S100-E103 PolarHBondContact O-N 3.15Å; S100-E104 PolarHBondContact O-N 2.97Å | ||
| 101 | L | 63.8 | Low | 63.1 | Low | 50 Ų | 50 | 95.8 Ų | 95.8 | 26% | 0.262 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -45.3 | -38.5 | 172.4 | -89.6 | 150.7 | 0 | 0 | 0 | 111.5 | I99 E103 E104 E105 L202 E206 | I99-L101 PolarHBondContact O-N 3.26Å; L101-E103 PolarHBondContact O-N 3.46Å; L101-E104 PolarHBondContact O-N 3.49Å; L101-E105 WeakPolarHBondContact O-CB 3.36Å; L101-E105 WeakPolarHBondContact O-CG 3.43Å; L101-E105 PolarHBondContact O-N 2.99Å; L101-L202 HydrophobicContact CD2-CB 4.38Å; L101-E206 HydrophobicContact CD1-CB 4.06Å; L101-E206 HydrophobicContact CD1-CG 3.98Å; L101-E206 HydrophobicContact CD2-CB 4.28Å |
| 102 | K | 70 | Confident | 64.8 | Low | 137 Ų | 137 | 90.2 Ų | 90.2 | 60% | 0.596 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.3 | -34.7 | 176.3 | -167.5 | 171.1 | -172.3 | 171.8 | 0 | 113.6 | S100 K106 | S100-K102 PolarHBondContact O-N 3.27Å; K102-K106 VanDerWaalsContact O-CB 3.3Å; K102-K106 WeakPolarHBondContact O-CB 3.45Å; K102-K106 WeakPolarHBondContact O-CD 3.23Å; K102-K106 WeakPolarHBondContact O-CG 3.24Å; K102-K106 PolarHBondContact O-N 2.99Å |
| 103 | E | 73.9 | Confident | 66.6 | Low | 77 Ų | 77 | 91.3 Ų | 91.3 | 36% | 0.36 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -73.3 | -38.2 | 173.7 | -72.1 | 174 | 168.8 | 0 | 0 | 110.9 | R97 I99 S100 L101 K106 G107 | R97-E103 IonicContact CZ-OE1 3.88Å; R97-E103 IonicContact NH2-OE1 2.64Å; R97-E103 PolarHBondContact NH2-OE1 2.92Å; R97-E103 IonicContact NH2-OE2 2.98Å; I99-E103 HydrophobicContact CG2-CB 3.37Å; I99-E103 HydrophobicContact CG2-CG 4.5Å; S100-E103 PolarHBondContact N-OE2 3.33Å; S100-E103 CarbonylContact O-C 3.57Å; S100-E103 WeakPolarHBondContact O-CA 3.05Å; S100-E103 WeakPolarHBondContact O-CB 3.41Å; S100-E103 PolarHBondContact O-N 3.15Å; L101-E103 PolarHBondContact O-N 3.46Å; E103-K106 PolarHBondContact O-N 2.84Å; E103-G107 PolarHBondContact O-N 2.72Å |
| 104 | E | 70.9 | Confident | 68.6 | Low | 50 Ų | 50 | 88.4 Ų | 88.4 | 23% | 0.234 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 174.8 | -64.6 | -168.1 | 148.8 | 0 | 0 | 111.8 | I99 S100 L101 G107 F108 L202 | I99-E104 HydrophobicContact CB-CG 3.79Å; I99-E104 HydrophobicContact CG2-CB 4.44Å; I99-E104 HydrophobicContact CG2-CG 3.44Å; I99-E104 VanDerWaalsContact CG2-CG 3.44Å; S100-E104 PolarHBondContact O-N 2.97Å; L101-E104 PolarHBondContact O-N 3.49Å; E104-G107 PolarHBondContact O-N 3.21Å; E104-F108 WeakPolarHBondContact O-CB 3.43Å; E104-F108 PolarHBondContact O-N 3.49Å; E104-L202 HydrophobicContact CB-CD1 3.96Å; E104-L202 WeakPolarHBondContact OE2-CD2 3.46Å |
| 105 | E | 73.3 | Confident | 70.5 | Confident | 65 Ų | 65 | 85.3 Ų | 85.3 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 173.6 | -76.2 | -165.9 | 138.6 | 0 | 0 | 111.9 | L101 G107 F108 E109 | L101-E105 WeakPolarHBondContact O-CB 3.36Å; L101-E105 WeakPolarHBondContact O-CG 3.43Å; L101-E105 PolarHBondContact O-N 2.99Å; E105-G107 VanDerWaalsContact C-N 3.29Å; E105-G107 PolarHBondContact O-N 3.37Å; E105-F108 WeakPolarHBondContact O-CB 3.26Å; E105-F108 PolarHBondContact O-N 2.84Å; E105-F108 VanDerWaalsContact O-N 3.12Å; E105-E109 WeakPolarHBondContact O-CG 3.44Å; E105-E109 PolarHBondContact O-N 3Å |
| 106 | K | 79.1 | Confident | 72.3 | Confident | 124 Ų | 124 | 84.4 Ų | 84.4 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 173.7 | -78.4 | 172.5 | 178.4 | -172 | 0 | 111.9 | K102 E103 F108 E109 A110 | K102-K106 VanDerWaalsContact O-CB 3.3Å; K102-K106 WeakPolarHBondContact O-CB 3.45Å; K102-K106 WeakPolarHBondContact O-CD 3.23Å; K102-K106 WeakPolarHBondContact O-CG 3.24Å; K102-K106 PolarHBondContact O-N 2.99Å; E103-K106 PolarHBondContact O-N 2.84Å; K106-F108 VanDerWaalsContact C-N 3.3Å; K106-F108 PolarHBondContact O-N 3.39Å; K106-E109 PolarHBondContact O-N 3.25Å; K106-A110 VanDerWaalsContact O-CB 3.27Å; K106-A110 WeakPolarHBondContact O-CB 3.32Å; K106-A110 PolarHBondContact O-N 2.98Å |
| 107 | G | 78.7 | Confident | 74.3 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E103 E104 E105 A110 E111 | E103-G107 PolarHBondContact O-N 2.72Å; E104-G107 PolarHBondContact O-N 3.21Å; E105-G107 VanDerWaalsContact C-N 3.29Å; E105-G107 PolarHBondContact O-N 3.37Å; G107-A110 PolarHBondContact O-N 3.27Å; G107-E111 WeakPolarHBondContact O-CB 3.11Å; G107-E111 PolarHBondContact O-N 2.87Å |
| 108 | F | 72.6 | Confident | 76.2 | Confident | 13 Ų | 13 | 82.2 Ų | 82.2 | 6% | 0.057 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 177 | -170.1 | -100.3 | 0 | 0 | 0 | 113.1 | E104 E105 K106 A110 E111 Q112 L195 R199 | E104-F108 WeakPolarHBondContact O-CB 3.43Å; E104-F108 PolarHBondContact O-N 3.49Å; E105-F108 WeakPolarHBondContact O-CB 3.26Å; E105-F108 PolarHBondContact O-N 2.84Å; E105-F108 VanDerWaalsContact O-N 3.12Å; K106-F108 VanDerWaalsContact C-N 3.3Å; K106-F108 PolarHBondContact O-N 3.39Å; F108-A110 VanDerWaalsContact C-N 3.35Å; F108-E111 PolarHBondContact O-N 3.01Å; F108-Q112 HydrophobicContact CD1-CG 4.49Å; F108-Q112 HydrophobicContact CE1-CG 4.06Å; F108-Q112 HydrophobicContact CZ-CG 4.37Å; F108-Q112 PolarHBondContact O-N 3.25Å; F108-L195 HydrophobicContact CD2-CD2 4.15Å; F108-L195 HydrophobicContact CE2-CB 3.46Å; F108-L195 VanDerWaalsContact CE2-CB 3.46Å; F108-L195 HydrophobicContact CE2-CD2 3.65Å; F108-L195 HydrophobicContact CE2-CG 4.09Å; F108-L195 WeakPolarHBondContact CE2-O 3.41Å; F108-L195 HydrophobicContact CZ-CB 3.68Å; F108-L195 WeakPolarHBondContact CZ-O 3.49Å; F108-R199 HydrophobicContact CD1-CB 4.25Å; F108-R199 HydrophobicContact CD1-CG 4.3Å; F108-R199 HydrophobicContact CE1-CB 3.82Å; F108-R199 HydrophobicContact CE1-CG 4.14Å; F108-R199 HydrophobicContact CE2-CB 4.35Å; F108-R199 HydrophobicContact CZ-CB 3.89Å |
| 109 | E | 81.2 | Confident | 77.8 | Confident | 102 Ų | 102 | 78 Ų | 78 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 174.5 | -73.3 | -179.5 | 170.1 | 0 | 0 | 111.2 | E105 K106 Q112 M113 | E105-E109 WeakPolarHBondContact O-CG 3.44Å; E105-E109 PolarHBondContact O-N 3Å; K106-E109 PolarHBondContact O-N 3.25Å; E109-Q112 PolarHBondContact O-N 3.41Å; E109-M113 VanDerWaalsContact O-CB 3.32Å; E109-M113 WeakPolarHBondContact O-CB 3.48Å; E109-M113 VanDerWaalsContact O-CG 3.26Å; E109-M113 WeakPolarHBondContact O-CG 3.39Å; E109-M113 PolarHBondContact O-N 3.05Å |
| 110 | A | 84.2 | Confident | 79.1 | Confident | 58 Ų | 58 | 79.7 Ų | 79.7 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K106 G107 F108 M113 L114 | K106-A110 VanDerWaalsContact O-CB 3.27Å; K106-A110 WeakPolarHBondContact O-CB 3.32Å; K106-A110 PolarHBondContact O-N 2.98Å; G107-A110 PolarHBondContact O-N 3.27Å; F108-A110 VanDerWaalsContact C-N 3.35Å; A110-M113 PolarHBondContact O-N 2.79Å; A110-L114 WeakPolarHBondContact O-CB 3.49Å; A110-L114 PolarHBondContact O-N 2.95Å |
| 111 | E | 80.3 | Confident | 80.4 | Confident | 63 Ų | 63 | 81.4 Ų | 81.4 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 177 | -173.5 | 172.3 | -175.6 | 0 | 0 | 111.9 | G107 F108 L114 L115 K191 L195 | G107-E111 WeakPolarHBondContact O-CB 3.11Å; G107-E111 PolarHBondContact O-N 2.87Å; F108-E111 PolarHBondContact O-N 3.01Å; E111-L114 PolarHBondContact O-N 2.75Å; E111-L115 WeakPolarHBondContact O-CB 3.41Å; E111-L115 PolarHBondContact O-N 2.93Å; E111-K191 IonicContact OE1-NZ 3.75Å; E111-L195 HydrophobicContact CG-CD1 4.3Å; E111-L195 HydrophobicContact CG-CD2 4.43Å; E111-L195 WeakPolarHBondContact OE2-CD2 3.48Å |
| 112 | Q | 81.6 | Confident | 81.5 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 173.5 | -84.6 | -173.9 | 83.8 | 0 | 0 | 112.4 | F108 E109 L115 R116 | F108-Q112 HydrophobicContact CD1-CG 4.49Å; F108-Q112 HydrophobicContact CE1-CG 4.06Å; F108-Q112 HydrophobicContact CZ-CG 4.37Å; F108-Q112 PolarHBondContact O-N 3.25Å; E109-Q112 PolarHBondContact O-N 3.41Å; Q112-L115 PolarHBondContact O-N 3.19Å; Q112-R116 WeakPolarHBondContact O-CB 3.3Å; Q112-R116 VanDerWaalsContact O-CG 3.29Å; Q112-R116 WeakPolarHBondContact O-CG 3.13Å; Q112-R116 PolarHBondContact O-N 3.16Å |
| 113 | M | 85.4 | Confident | 82.2 | Confident | 93 Ų | 93 | 81 Ų | 81 | 46% | 0.458 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 176.5 | -80.4 | -67.3 | -70.2 | 0 | 0 | 111.2 | E109 A110 L115 R116 Q117 | E109-M113 VanDerWaalsContact O-CB 3.32Å; E109-M113 WeakPolarHBondContact O-CB 3.48Å; E109-M113 VanDerWaalsContact O-CG 3.26Å; E109-M113 WeakPolarHBondContact O-CG 3.39Å; E109-M113 PolarHBondContact O-N 3.05Å; A110-M113 PolarHBondContact O-N 2.79Å; M113-L115 VanDerWaalsContact C-N 3.34Å; M113-R116 PolarHBondContact O-N 3.43Å; M113-Q117 WeakPolarHBondContact O-CB 3.46Å; M113-Q117 VanDerWaalsContact O-CG 3.3Å; M113-Q117 WeakPolarHBondContact O-CG 3.4Å; M113-Q117 PolarHBondContact O-N 2.82Å |
| 114 | L | 86.9 | Confident | 83 | Confident | 113 Ų | 113 | 83.4 Ų | 83.4 | 59% | 0.592 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 174.3 | -171.9 | 79.6 | 0 | 0 | 0 | 111.1 | A110 E111 Q117 K118 | A110-L114 WeakPolarHBondContact O-CB 3.49Å; A110-L114 PolarHBondContact O-N 2.95Å; E111-L114 PolarHBondContact O-N 2.75Å; L114-Q117 PolarHBondContact O-N 3.37Å; L114-K118 WeakPolarHBondContact O-CB 3.49Å; L114-K118 PolarHBondContact O-N 3.49Å |
| 115 | L | 82.2 | Confident | 83.9 | Confident | 29 Ų | 29 | 87.2 Ų | 87.2 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 178.1 | -151.8 | 78.1 | 0 | 0 | 0 | 111.4 | E111 Q112 M113 Q117 K118 E119 K191 N192 | E111-L115 WeakPolarHBondContact O-CB 3.41Å; E111-L115 PolarHBondContact O-N 2.93Å; Q112-L115 PolarHBondContact O-N 3.19Å; M113-L115 VanDerWaalsContact C-N 3.34Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.41Å; L115-K118 PolarHBondContact O-N 2.85Å; L115-E119 WeakPolarHBondContact O-CG 3.35Å; L115-E119 PolarHBondContact O-N 2.87Å; L115-K191 HydrophobicContact CD1-CD 4.12Å; L115-N192 WeakPolarHBondContact CD2-OD1 3.33Å |
| 116 | R | 85 | Confident | 84.6 | Confident | 134 Ų | 134 | 88.6 Ų | 88.6 | 51% | 0.506 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 174 | -73.8 | 175.5 | 177.7 | -170.3 | -0.4 | 112.5 | Q112 M113 R120 | Q112-R116 WeakPolarHBondContact O-CB 3.3Å; Q112-R116 VanDerWaalsContact O-CG 3.29Å; Q112-R116 WeakPolarHBondContact O-CG 3.13Å; Q112-R116 PolarHBondContact O-N 3.16Å; M113-R116 PolarHBondContact O-N 3.43Å; R116-R120 WeakPolarHBondContact O-CB 2.96Å; R116-R120 WeakPolarHBondContact O-CG 3.36Å; R116-R120 PolarHBondContact O-N 3.43Å; R116-R120 PolarHBondContact O-NE 2.98Å |
| 117 | Q | 88.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 88.6 Ų | 88.6 | 43% | 0.425 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 173.3 | -80 | 174.5 | -9.9 | 0 | 0 | 110.5 | M113 L114 L115 E119 R120 E121 | M113-Q117 WeakPolarHBondContact O-CB 3.46Å; M113-Q117 VanDerWaalsContact O-CG 3.3Å; M113-Q117 WeakPolarHBondContact O-CG 3.4Å; M113-Q117 PolarHBondContact O-N 2.82Å; L114-Q117 PolarHBondContact O-N 3.37Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.41Å; Q117-E119 PolarHBondContact O-N 3.42Å; Q117-R120 WeakPolarHBondContact O-CA 3.44Å; Q117-R120 WeakPolarHBondContact O-CB 3.41Å; Q117-R120 PolarHBondContact O-N 2.84Å; Q117-R120 VanDerWaalsContact O-N 3.1Å; Q117-E121 WeakPolarHBondContact O-CG 3.43Å; Q117-E121 PolarHBondContact O-N 2.93Å |
| 118 | K | 88.1 | Confident | 85.7 | Confident | 116 Ų | 116 | 92.4 Ų | 92.4 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 177 | -169.6 | 177.8 | 179.8 | -175.2 | 0 | 112.3 | L114 L115 R120 E121 E122 | L114-K118 WeakPolarHBondContact O-CB 3.49Å; L114-K118 PolarHBondContact O-N 3.49Å; L115-K118 PolarHBondContact O-N 2.85Å; K118-R120 VanDerWaalsContact C-N 3.31Å; K118-R120 PolarHBondContact O-N 3.46Å; K118-E121 PolarHBondContact O-N 3.12Å; K118-E122 WeakPolarHBondContact CE-OE1 3.32Å; K118-E122 WeakPolarHBondContact O-CB 3.32Å; K118-E122 VanDerWaalsContact O-CG 3.28Å; K118-E122 WeakPolarHBondContact O-CG 2.99Å; K118-E122 PolarHBondContact O-N 3.43Å |
| 119 | E | 85.3 | Confident | 86.5 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 173.4 | -76.4 | 176.2 | 174.6 | 0 | 0 | 111.7 | L115 Q117 M123 | L115-E119 WeakPolarHBondContact O-CG 3.35Å; L115-E119 PolarHBondContact O-N 2.87Å; Q117-E119 PolarHBondContact O-N 3.42Å; E119-M123 WeakPolarHBondContact O-CB 3.4Å; E119-M123 WeakPolarHBondContact O-CG 3.36Å; E119-M123 PolarHBondContact O-N 3.25Å |
| 120 | R | 87.2 | Confident | 87 | Confident | 127 Ų | 127 | 97 Ų | 97 | 48% | 0.479 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 174 | -81.5 | -177.8 | -79.6 | -118.3 | 0.9 | 112 | R116 Q117 K118 E122 M123 E124 | R116-R120 WeakPolarHBondContact O-CB 2.96Å; R116-R120 WeakPolarHBondContact O-CG 3.36Å; R116-R120 PolarHBondContact O-N 3.43Å; R116-R120 PolarHBondContact O-NE 2.98Å; Q117-R120 WeakPolarHBondContact O-CA 3.44Å; Q117-R120 WeakPolarHBondContact O-CB 3.41Å; Q117-R120 PolarHBondContact O-N 2.84Å; Q117-R120 VanDerWaalsContact O-N 3.1Å; K118-R120 VanDerWaalsContact C-N 3.31Å; K118-R120 PolarHBondContact O-N 3.46Å; R120-E122 VanDerWaalsContact C-N 3.31Å; R120-E122 PolarHBondContact O-N 3.19Å; R120-M123 WeakPolarHBondContact O-CB 3.27Å; R120-M123 PolarHBondContact O-N 2.88Å; R120-M123 VanDerWaalsContact O-N 3.17Å; R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 3.41Å |
| 121 | E | 89.9 | Confident | 87.3 | Confident | 97 Ų | 97 | 102 Ų | 102 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 177.3 | -71.8 | 174.9 | -164.8 | 0 | 0 | 111.9 | Q117 K118 E124 K125 | Q117-E121 WeakPolarHBondContact O-CG 3.43Å; Q117-E121 PolarHBondContact O-N 2.93Å; K118-E121 PolarHBondContact O-N 3.12Å; E121-E124 PolarHBondContact O-N 2.98Å; E121-K125 WeakPolarHBondContact O-CB 3.34Å; E121-K125 VanDerWaalsContact O-CG 3.23Å; E121-K125 WeakPolarHBondContact O-CG 3.26Å; E121-K125 PolarHBondContact O-N 3.39Å |
| 122 | E | 87.4 | Confident | 87.9 | Confident | 66 Ų | 66 | 103.8 Ų | 103.8 | 31% | 0.308 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.4 | -76.4 | 174.9 | -173.1 | 0 | 0 | 111.5 | K118 R120 H126 | K118-E122 WeakPolarHBondContact CE-OE1 3.32Å; K118-E122 WeakPolarHBondContact O-CB 3.32Å; K118-E122 VanDerWaalsContact O-CG 3.28Å; K118-E122 WeakPolarHBondContact O-CG 2.99Å; K118-E122 PolarHBondContact O-N 3.43Å; R120-E122 VanDerWaalsContact C-N 3.31Å; R120-E122 PolarHBondContact O-N 3.19Å; E122-H126 WeakPolarHBondContact O-CB 3.43Å; E122-H126 PolarHBondContact O-N 3.01Å |
| 123 | M | 84.5 | Confident | 88.2 | Confident | 113 Ų | 113 | 106.4 Ų | 106.4 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 174.9 | -75.9 | -68.7 | -67.1 | 0 | 0 | 112.1 | E119 R120 H126 Q127 | E119-M123 WeakPolarHBondContact O-CB 3.4Å; E119-M123 WeakPolarHBondContact O-CG 3.36Å; E119-M123 PolarHBondContact O-N 3.25Å; R120-M123 WeakPolarHBondContact O-CB 3.27Å; R120-M123 PolarHBondContact O-N 2.88Å; R120-M123 VanDerWaalsContact O-N 3.17Å; M123-H126 PolarHBondContact O-N 3.39Å; M123-Q127 WeakPolarHBondContact O-CG 3.03Å; M123-Q127 PolarHBondContact O-N 3.34Å |
| 124 | E | 90 | Very high | 88.4 | Confident | 128 Ų | 128 | 110.4 Ų | 110.4 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -49.3 | 175.8 | -76.3 | 174.7 | -173.8 | 0 | 0 | 111.1 | R120 E121 H126 Q127 E128 | R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 3.41Å; E121-E124 PolarHBondContact O-N 2.98Å; E124-H126 VanDerWaalsContact C-N 3.26Å; E124-H126 PolarHBondContact O-N 2.64Å; E124-Q127 PolarHBondContact O-N 2.9Å; E124-Q127 VanDerWaalsContact O-N 3.08Å; E124-E128 WeakPolarHBondContact O-CB 3.37Å; E124-E128 PolarHBondContact O-N 3.43Å |
| 125 | K | 91 | Very high | 88.6 | Confident | 130 Ų | 130 | 109.2 Ų | 109.2 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.1 | -39.8 | 174.1 | -74.4 | 169.7 | -177.5 | 169.4 | 0 | 112.1 | E121 K129 | E121-K125 WeakPolarHBondContact O-CB 3.34Å; E121-K125 VanDerWaalsContact O-CG 3.23Å; E121-K125 WeakPolarHBondContact O-CG 3.26Å; E121-K125 PolarHBondContact O-N 3.39Å; K125-K129 WeakPolarHBondContact O-CB 3.07Å; K125-K129 PolarHBondContact O-N 2.88Å |
| 126 | H | 87.5 | Confident | 89 | Confident | 94 Ų | 94 | 114.5 Ų | 114.5 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.5 | 179.9 | -87.8 | 0 | 0 | 0 | 112.1 | E122 M123 E124 L130 | E122-H126 WeakPolarHBondContact O-CB 3.43Å; E122-H126 PolarHBondContact O-N 3.01Å; M123-H126 PolarHBondContact O-N 3.39Å; E124-H126 VanDerWaalsContact C-N 3.26Å; E124-H126 PolarHBondContact O-N 2.64Å; H126-L130 VanDerWaalsContact CE1-CD1 3.48Å; H126-L130 WeakPolarHBondContact CE1-CD1 3.32Å; H126-L130 WeakPolarHBondContact O-CG 2.88Å; H126-L130 PolarHBondContact O-N 3.24Å; H126-L130 VanDerWaalsContact O-N 3.1Å |
| 127 | Q | 89.3 | Confident | 89.2 | Confident | 124 Ų | 124 | 111.4 Ų | 111.4 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -41.6 | 175.3 | -73.2 | -174.8 | 30.9 | 0 | 0 | 112.1 | M123 E124 L130 R131 | M123-Q127 WeakPolarHBondContact O-CG 3.03Å; M123-Q127 PolarHBondContact O-N 3.34Å; E124-Q127 PolarHBondContact O-N 2.9Å; E124-Q127 VanDerWaalsContact O-N 3.08Å; Q127-L130 PolarHBondContact O-N 3.38Å; Q127-R131 WeakPolarHBondContact O-CB 3.46Å; Q127-R131 PolarHBondContact O-N 3.08Å |
| 128 | E | 90.9 | Very high | 89.3 | Confident | 119 Ų | 119 | 114.3 Ų | 114.3 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 176.1 | -174.7 | 174.6 | -157 | 0 | 0 | 111.3 | E124 L130 R131 L132 | E124-E128 WeakPolarHBondContact O-CB 3.37Å; E124-E128 PolarHBondContact O-N 3.43Å; E128-L130 PolarHBondContact O-N 3.32Å; E128-R131 WeakPolarHBondContact O-CA 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.4Å; E128-R131 PolarHBondContact O-N 3.47Å; E128-L132 HydrophobicContact CG-CD1 4.39Å; E128-L132 WeakPolarHBondContact O-CG 2.92Å; E128-L132 PolarHBondContact O-N 2.86Å |
| 129 | K | 91.4 | Very high | 89.4 | Confident | 146 Ų | 146 | 116.2 Ų | 116.2 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.1 | -45.8 | 174.4 | -172.9 | 178.4 | -179.9 | -177.6 | 0 | 112.1 | K125 R131 L132 E133 | K125-K129 WeakPolarHBondContact O-CB 3.07Å; K125-K129 PolarHBondContact O-N 2.88Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 2.96Å; K129-L132 PolarHBondContact O-N 3.17Å; K129-E133 WeakPolarHBondContact O-CB 3.41Å; K129-E133 PolarHBondContact O-N 2.94Å |
| 130 | L | 90.1 | Very high | 89.6 | Confident | 67 Ų | 67 | 114.9 Ų | 114.9 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -33.2 | 175.3 | -76.7 | 172.1 | 0 | 0 | 0 | 112.4 | H126 Q127 E128 R134 | H126-L130 VanDerWaalsContact CE1-CD1 3.48Å; H126-L130 WeakPolarHBondContact CE1-CD1 3.32Å; H126-L130 WeakPolarHBondContact O-CG 2.88Å; H126-L130 PolarHBondContact O-N 3.24Å; H126-L130 VanDerWaalsContact O-N 3.1Å; Q127-L130 PolarHBondContact O-N 3.38Å; E128-L130 PolarHBondContact O-N 3.32Å; L130-R134 WeakPolarHBondContact O-CB 3.49Å; L130-R134 WeakPolarHBondContact O-CD 3.49Å; L130-R134 WeakPolarHBondContact O-CG 3.4Å; L130-R134 PolarHBondContact O-N 3.03Å; L130-R134 VanDerWaalsContact O-N 3.14Å |
| 131 | R | 91.7 | Very high | 89.6 | Confident | 162 Ų | 162 | 117.1 Ų | 117.1 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69 | -48 | 176.5 | -177.9 | -176.3 | 164.7 | 177.6 | -5.7 | 111.1 | Q127 E128 K129 E133 R134 E135 | Q127-R131 WeakPolarHBondContact O-CB 3.46Å; Q127-R131 PolarHBondContact O-N 3.08Å; E128-R131 WeakPolarHBondContact O-CA 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.4Å; E128-R131 PolarHBondContact O-N 3.47Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 2.96Å; R131-E133 PolarHBondContact O-N 2.99Å; R131-R134 WeakPolarHBondContact O-CB 3.48Å; R131-R134 PolarHBondContact O-N 3.31Å; R131-E135 IonicContact CZ-OE1 3.98Å; R131-E135 IonicContact NE-OE1 3.03Å; R131-E135 PolarHBondContact NE-OE1 2.73Å; R131-E135 IonicContact NH2-OE1 3.53Å; R131-E135 WeakPolarHBondContact O-CG 3.4Å; R131-E135 PolarHBondContact O-N 2.86Å |
| 132 | L | 92.4 | Very high | 89.5 | Confident | 101 Ų | 101 | 114.6 Ų | 114.6 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 176.7 | -70.8 | 172.1 | 0 | 0 | 0 | 111.4 | E128 K129 R134 E135 E136 | E128-L132 HydrophobicContact CG-CD1 4.39Å; E128-L132 WeakPolarHBondContact O-CG 2.92Å; E128-L132 PolarHBondContact O-N 2.86Å; K129-L132 PolarHBondContact O-N 3.17Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.39Å; L132-E135 PolarHBondContact O-N 2.88Å; L132-E135 VanDerWaalsContact O-N 3.15Å; L132-E136 WeakPolarHBondContact O-CB 3.47Å; L132-E136 PolarHBondContact O-N 3.32Å |
| 133 | E | 88.3 | Confident | 89.4 | Confident | 107 Ų | 107 | 114.8 Ų | 114.8 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 176 | -173.2 | 179.6 | -176 | 0 | 0 | 111.7 | K129 R131 V137 | K129-E133 WeakPolarHBondContact O-CB 3.41Å; K129-E133 PolarHBondContact O-N 2.94Å; R131-E133 PolarHBondContact O-N 2.99Å; E133-V137 WeakPolarHBondContact O-CB 3.3Å; E133-V137 VanDerWaalsContact O-CG2 3.25Å; E133-V137 WeakPolarHBondContact O-CG2 3.3Å; E133-V137 PolarHBondContact O-N 3.04Å |
| 134 | R | 89 | Confident | 89.4 | Confident | 176 Ų | 176 | 116.7 Ų | 116.7 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.6 | -39.7 | 175.1 | -75.2 | 170.8 | -179.9 | -171.9 | 1.5 | 112.7 | L130 R131 L132 K138 | L130-R134 WeakPolarHBondContact O-CB 3.49Å; L130-R134 WeakPolarHBondContact O-CD 3.49Å; L130-R134 WeakPolarHBondContact O-CG 3.4Å; L130-R134 PolarHBondContact O-N 3.03Å; L130-R134 VanDerWaalsContact O-N 3.14Å; R131-R134 WeakPolarHBondContact O-CB 3.48Å; R131-R134 PolarHBondContact O-N 3.31Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.39Å; R134-K138 WeakPolarHBondContact O-CG 3.43Å; R134-K138 PolarHBondContact O-N 2.87Å |
| 135 | E | 91.6 | Very high | 88.9 | Confident | 89 Ų | 89 | 120 Ų | 120 | 42% | 0.416 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -41.2 | 177.2 | -73.6 | 178.1 | -170.7 | 0 | 0 | 111.2 | R131 L132 K138 K139 | R131-E135 IonicContact CZ-OE1 3.98Å; R131-E135 IonicContact NE-OE1 3.03Å; R131-E135 PolarHBondContact NE-OE1 2.73Å; R131-E135 IonicContact NH2-OE1 3.53Å; R131-E135 WeakPolarHBondContact O-CG 3.4Å; R131-E135 PolarHBondContact O-N 2.86Å; L132-E135 PolarHBondContact O-N 2.88Å; L132-E135 VanDerWaalsContact O-N 3.15Å; E135-K138 WeakPolarHBondContact O-CB 3.4Å; E135-K138 PolarHBondContact O-N 3.32Å; E135-K139 WeakPolarHBondContact O-CB 3.37Å; E135-K139 PolarHBondContact O-N 2.8Å |
| 136 | E | 89.6 | Confident | 88.3 | Confident | 140 Ų | 140 | 120.7 Ų | 120.7 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -45.7 | 174.7 | -169.8 | 178.2 | -174.4 | 0 | 0 | 111.8 | L132 K138 K139 A140 | L132-E136 WeakPolarHBondContact O-CB 3.47Å; L132-E136 PolarHBondContact O-N 3.32Å; E136-K138 VanDerWaalsContact C-N 3.3Å; E136-K138 PolarHBondContact O-N 2.71Å; E136-K139 PolarHBondContact O-N 3.3Å; E136-A140 WeakPolarHBondContact O-CB 3.39Å; E136-A140 PolarHBondContact O-N 2.82Å |
| 137 | V | 89.9 | Confident | 87.8 | Confident | 69 Ų | 69 | 119.1 Ų | 119.1 | 42% | 0.418 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -38.6 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | E133 R141 | E133-V137 WeakPolarHBondContact O-CB 3.3Å; E133-V137 VanDerWaalsContact O-CG2 3.25Å; E133-V137 WeakPolarHBondContact O-CG2 3.3Å; E133-V137 PolarHBondContact O-N 3.04Å; V137-R141 WeakPolarHBondContact O-CB 3.36Å; V137-R141 VanDerWaalsContact O-CG 3.28Å; V137-R141 WeakPolarHBondContact O-CG 3.33Å; V137-R141 PolarHBondContact O-N 3.38Å |
| 138 | K | 89.9 | Confident | 87.3 | Confident | 152 Ų | 152 | 119.2 Ų | 119.2 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -46.2 | 175 | -76.5 | 175.4 | -178.6 | -179.8 | 0 | 111.6 | R134 E135 E136 R141 A142 | R134-K138 WeakPolarHBondContact O-CG 3.43Å; R134-K138 PolarHBondContact O-N 2.87Å; E135-K138 WeakPolarHBondContact O-CB 3.4Å; E135-K138 PolarHBondContact O-N 3.32Å; E136-K138 VanDerWaalsContact C-N 3.3Å; E136-K138 PolarHBondContact O-N 2.71Å; K138-R141 PolarHBondContact O-N 3.11Å; K138-A142 PolarHBondContact O-N 2.9Å |
| 139 | K | 91 | Very high | 86.5 | Confident | 156 Ų | 156 | 117.9 Ų | 117.9 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -46.7 | 177.8 | -170.7 | 178.2 | -179.7 | -178.6 | 0 | 111.1 | E135 E136 R141 A142 S143 | E135-K139 WeakPolarHBondContact O-CB 3.37Å; E135-K139 PolarHBondContact O-N 2.8Å; E136-K139 PolarHBondContact O-N 3.3Å; K139-R141 VanDerWaalsContact C-N 3.33Å; K139-R141 PolarHBondContact O-N 2.89Å; K139-A142 PolarHBondContact O-N 3.41Å; K139-A142 VanDerWaalsContact O-N 3.13Å; K139-S143 PolarHBondContact O-N 3.45Å; K139-S143 PolarHBondContact O-OG 3.39Å |
| 140 | A | 89 | Confident | 85.5 | Confident | 49 Ų | 49 | 113.8 Ų | 113.8 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E136 K144 | E136-A140 WeakPolarHBondContact O-CB 3.39Å; E136-A140 PolarHBondContact O-N 2.82Å; A140-K144 WeakPolarHBondContact O-CB 3.37Å; A140-K144 WeakPolarHBondContact O-CG 3.48Å; A140-K144 PolarHBondContact O-N 2.71Å; A140-K144 VanDerWaalsContact O-N 3.09Å |
| 141 | R | 87.2 | Confident | 84.2 | Confident | 175 Ų | 175 | 117 Ų | 117 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67 | -39.3 | 173.5 | -76.7 | 177.3 | -178.5 | -170.3 | 1.6 | 112.3 | V137 K138 K139 R145 | V137-R141 WeakPolarHBondContact O-CB 3.36Å; V137-R141 VanDerWaalsContact O-CG 3.28Å; V137-R141 WeakPolarHBondContact O-CG 3.33Å; V137-R141 PolarHBondContact O-N 3.38Å; K138-R141 PolarHBondContact O-N 3.11Å; K139-R141 VanDerWaalsContact C-N 3.33Å; K139-R141 PolarHBondContact O-N 2.89Å; R141-R145 WeakPolarHBondContact O-CG 3.49Å; R141-R145 PolarHBondContact O-N 3.48Å; R141-R145 VanDerWaalsContact O-N 3.1Å |
| 142 | A | 88.2 | Confident | 82.7 | Confident | 43 Ų | 43 | 116 Ų | 116 | 36% | 0.355 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.7 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K138 K139 K144 R145 H146 | K138-A142 PolarHBondContact O-N 2.9Å; K139-A142 PolarHBondContact O-N 3.41Å; K139-A142 VanDerWaalsContact O-N 3.13Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.17Å; A142-R145 WeakPolarHBondContact O-CA 3.32Å; A142-R145 WeakPolarHBondContact O-CB 3.34Å; A142-R145 PolarHBondContact O-N 2.98Å; A142-H146 PolarHBondContact O-CD2 3.27Å; A142-H146 PolarHBondContact O-N 3.15Å |
| 143 | S | 84.7 | Confident | 81.1 | Confident | 70 Ų | 70 | 118.9 Ų | 118.9 | 49% | 0.49 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.3 | -39.6 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | K139 R145 H146 S147 | K139-S143 PolarHBondContact O-N 3.45Å; K139-S143 PolarHBondContact O-OG 3.39Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 2.84Å; S143-H146 PolarHBondContact O-N 3.15Å; S143-S147 WeakPolarHBondContact O-CB 3.45Å; S143-S147 PolarHBondContact O-N 3.02Å; S143-S147 PolarHBondContact O-OG 2.9Å |
| 144 | K | 85.2 | Confident | 79.4 | Confident | 153 Ų | 153 | 120.8 Ų | 120.8 | 67% | 0.665 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.9 | -33.5 | 172.8 | -76.2 | 178.3 | -178.5 | -180 | 0 | 113.2 | A140 A142 S147 K148 | A140-K144 WeakPolarHBondContact O-CB 3.37Å; A140-K144 WeakPolarHBondContact O-CG 3.48Å; A140-K144 PolarHBondContact O-N 2.71Å; A140-K144 VanDerWaalsContact O-N 3.09Å; A142-K144 VanDerWaalsContact C-N 3.33Å; A142-K144 PolarHBondContact O-N 3.17Å; K144-S147 PolarHBondContact O-OG 3.27Å; K144-K148 VanDerWaalsContact O-CB 3.22Å; K144-K148 WeakPolarHBondContact O-CB 3.18Å; K144-K148 PolarHBondContact O-N 3.4Å |
| 145 | R | 80 | Confident | 77.3 | Confident | 198 Ų | 198 | 117.9 Ų | 117.9 | 75% | 0.747 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.9 | -46.5 | 173.7 | -78.2 | 178.5 | 164.5 | -172.8 | -5.6 | 110.9 | R141 A142 S143 K148 V149 | R141-R145 WeakPolarHBondContact O-CG 3.49Å; R141-R145 PolarHBondContact O-N 3.48Å; R141-R145 VanDerWaalsContact O-N 3.1Å; A142-R145 WeakPolarHBondContact O-CA 3.32Å; A142-R145 WeakPolarHBondContact O-CB 3.34Å; A142-R145 PolarHBondContact O-N 2.98Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 2.84Å; R145-K148 PolarHBondContact O-N 2.87Å; R145-V149 WeakPolarHBondContact O-CG2 3.46Å; R145-V149 PolarHBondContact O-N 3.43Å |
| 146 | H | 78.3 | Confident | 75.5 | Confident | 145 Ų | 145 | 118.6 Ų | 118.6 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -41.8 | 177.1 | -74.4 | -69.6 | 0 | 0 | 0 | 112.5 | A142 S143 V149 A150 | A142-H146 PolarHBondContact O-CD2 3.27Å; A142-H146 PolarHBondContact O-N 3.15Å; S143-H146 PolarHBondContact O-N 3.15Å; H146-V149 PolarHBondContact O-N 2.86Å; H146-A150 PolarHBondContact O-N 3.12Å |
| 147 | S | 77.1 | Confident | 73.4 | Confident | 60 Ų | 60 | 121.5 Ų | 121.5 | 42% | 0.42 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.7 | -39.6 | 176.4 | 76 | 0 | 0 | 0 | 0 | 111.7 | S143 K144 A150 E151 | S143-S147 WeakPolarHBondContact O-CB 3.45Å; S143-S147 PolarHBondContact O-N 3.02Å; S143-S147 PolarHBondContact O-OG 2.9Å; K144-S147 PolarHBondContact O-OG 3.27Å; S147-A150 PolarHBondContact O-N 3.38Å; S147-E151 WeakPolarHBondContact O-CB 3.38Å; S147-E151 PolarHBondContact O-N 3.48Å |
| 148 | K | 77.2 | Confident | 71.7 | Confident | 127 Ų | 127 | 124.6 Ų | 124.6 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.3 | -39.3 | 177.4 | -171.5 | 177.9 | 179.2 | -173.3 | 0 | 112.3 | K144 R145 A150 E151 E152 | K144-K148 VanDerWaalsContact O-CB 3.22Å; K144-K148 WeakPolarHBondContact O-CB 3.18Å; K144-K148 PolarHBondContact O-N 3.4Å; R145-K148 PolarHBondContact O-N 2.87Å; K148-A150 VanDerWaalsContact C-N 3.33Å; K148-E151 PolarHBondContact O-N 3.31Å; K148-E152 WeakPolarHBondContact CE-OE1 3.36Å; K148-E152 WeakPolarHBondContact O-CB 3.36Å; K148-E152 WeakPolarHBondContact O-CG 3.28Å; K148-E152 PolarHBondContact O-N 3.44Å |
| 149 | V | 75.9 | Confident | 69.6 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.1 | -35.3 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | R145 H146 | R145-V149 WeakPolarHBondContact O-CG2 3.46Å; R145-V149 PolarHBondContact O-N 3.43Å; H146-V149 PolarHBondContact O-N 2.86Å |
| 150 | A | 68.8 | Low | 68.1 | Low | 61 Ų | 61 | 124.2 Ų | 124.2 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.7 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H146 S147 K148 Q153 | H146-A150 PolarHBondContact O-N 3.12Å; S147-A150 PolarHBondContact O-N 3.38Å; K148-A150 VanDerWaalsContact C-N 3.33Å; A150-Q153 PolarHBondContact O-N 2.99Å |
| 151 | E | 62.9 | Low | 66.2 | Low | 133 Ų | 133 | 127.4 Ų | 127.4 | 62% | 0.621 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.6 | -28.2 | 178.1 | -167.9 | 174.2 | -171.9 | 0 | 0 | 111.9 | S147 K148 Q153 E154 | S147-E151 WeakPolarHBondContact O-CB 3.38Å; S147-E151 PolarHBondContact O-N 3.48Å; K148-E151 PolarHBondContact O-N 3.31Å; E151-Q153 PolarHBondContact O-N 2.98Å; E151-E154 PolarHBondContact O-N 3.46Å |
| 152 | E | 60.7 | Low | 64.4 | Low | 141 Ų | 141 | 130.1 Ų | 130.1 | 66% | 0.659 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -13 | 170.8 | -83.8 | 173.5 | -171.1 | 0 | 0 | 113.5 | K148 | K148-E152 WeakPolarHBondContact CE-OE1 3.36Å; K148-E152 WeakPolarHBondContact O-CB 3.36Å; K148-E152 WeakPolarHBondContact O-CG 3.28Å; K148-E152 PolarHBondContact O-N 3.44Å |
| 153 | Q | 59.2 | Low | 62.5 | Low | 162 Ų | 162 | 138.6 Ų | 138.6 | 76% | 0.757 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -9.6 | 171.4 | -63.8 | -170.5 | 9.9 | 0 | 0 | 114.1 | A150 E151 | A150-Q153 PolarHBondContact O-N 2.99Å; E151-Q153 PolarHBondContact O-N 2.98Å |
| 154 | E | 53.3 | Low | 61 | Low | 147 Ų | 147 | 140 Ų | 140 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -120.9 | 115.6 | -179.5 | -81.5 | -68.4 | 156.1 | 0 | 0 | 110.8 | E151 S156 | E151-E154 PolarHBondContact O-N 3.46Å; E154-S156 PolarHBondContact O-N 2.85Å; E154-S156 VanDerWaalsContact O-N 3.15Å |
| 155 | P | 43.2 | Very low | 59.4 | Low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | trans | -86.6 | 90.8 | -175.8 | 34 | -31 | 0 | 0 | 0 | 110.2 | ||||
| 156 | S | 53.5 | Low | 58.1 | Low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | -157.5 | 94.6 | 159.5 | -93.4 | 0 | 0 | 0 | 0 | 116.4 | E154 N158 | E154-S156 PolarHBondContact O-N 2.85Å; E154-S156 VanDerWaalsContact O-N 3.15Å; S156-N158 PolarHBondContact O-N 3.28Å | ||
| 157 | K | 46.8 | Very low | 56.8 | Low | 201 Ų | 201 | 142 Ų | 142 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | 29.5 | 88.7 | 122.1 | -57.9 | 177.6 | -175 | 174.8 | 0 | 117.4 | |||||
| 158 | N | 52.9 | Low | 55.6 | Low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | -156.2 | 83 | 138.7 | -128.8 | -10.9 | 0 | 0 | 0 | 112.8 | S156 Q160 | S156-N158 PolarHBondContact O-N 3.28Å; N158-Q160 PolarHBondContact O-N 3.48Å | ||
| 159 | N | 47.5 | Very low | 54.5 | Low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | -87.6 | 79.1 | 175.8 | -163.9 | 10.7 | 0 | 0 | 0 | 109.7 | ||||
| 160 | Q | 57.7 | Low | 53.4 | Low | 144 Ų | 144 | 150.1 Ų | 150.1 | 67% | 0.673 | 74% | 0.736 | S | S | * | * | trans | -89.7 | 106.4 | 169.5 | -11.1 | -177.1 | 17 | 0 | 0 | 108.1 | N158 R162 | N158-Q160 PolarHBondContact O-N 3.48Å; Q160-R162 PolarHBondContact O-N 2.94Å | ||
| 161 | V | 49.9 | Very low | 52.6 | Low | 115 Ų | 115 | 156.5 Ų | 156.5 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -57.5 | 98.2 | 172.4 | 180 | 0 | 0 | 0 | 0 | 108.4 | R163 | V161-R163 VanDerWaalsContact C-N 3.33Å; V161-R163 HydrophobicContact CG1-CG 4.47Å; V161-R163 PolarHBondContact O-N 2.95Å | ||
| 162 | R | 48.6 | Very low | 52.3 | Low | 233 Ų | 233 | 153.9 Ų | 153.9 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -67.7 | 96.4 | 168.1 | -71.4 | -172.5 | 178.2 | -173.4 | 0.5 | 107.5 | Q160 V164 | Q160-R162 PolarHBondContact O-N 2.94Å; R162-V164 PolarHBondContact O-N 3.4Å; R162-V164 VanDerWaalsContact O-N 3.1Å | ||
| 163 | R | 48.6 | Very low | 52.6 | Low | 220 Ų | 220 | 149.9 Ų | 149.9 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -63 | 109.9 | 165.4 | -68.1 | -167.6 | -177.5 | -161.3 | 2.1 | 107 | V161 D165 | V161-R163 VanDerWaalsContact C-N 3.33Å; V161-R163 HydrophobicContact CG1-CG 4.47Å; V161-R163 PolarHBondContact O-N 2.95Å; R163-D165 PolarHBondContact O-N 3.17Å | ||
| 164 | V | 53.7 | Low | 53.5 | Low | 101 Ų | 101 | 145.4 Ų | 145.4 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | trans | -73.4 | 106.6 | 168.2 | -179.3 | 0 | 0 | 0 | 0 | 105.8 | R162 Y166 | R162-V164 PolarHBondContact O-N 3.4Å; R162-V164 VanDerWaalsContact O-N 3.1Å; V164-Y166 VanDerWaalsContact C-N 3.32Å; V164-Y166 HydrophobicContact CB-CE2 4.46Å; V164-Y166 WeakPolarHBondContact O-CD2 3.36Å; V164-Y166 PolarHBondContact O-N 2.84Å | ||
| 165 | D | 51.3 | Low | 54.9 | Low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | -65 | 98.5 | 167.6 | -76.9 | -23 | 0 | 0 | 0 | 107.8 | R163 R167 | R163-D165 PolarHBondContact O-N 3.17Å; D165-R167 PolarHBondContact O-N 3.45Å | ||
| 166 | Y | 52 | Low | 57 | Low | 204 Ų | 204 | 145.5 Ų | 145.5 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | -66 | 81.2 | 162.8 | -63.2 | -83.5 | 0 | 0 | 0 | 107.5 | V164 K168 | V164-Y166 VanDerWaalsContact C-N 3.32Å; V164-Y166 HydrophobicContact CB-CE2 4.46Å; V164-Y166 WeakPolarHBondContact O-CD2 3.36Å; V164-Y166 PolarHBondContact O-N 2.84Å; Y166-K168 PolarHBondContact O-N 3.1Å | ||
| 167 | R | 51.4 | Low | 58.5 | Low | 208 Ų | 208 | 147.6 Ų | 147.6 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -59.7 | 97.1 | 161.1 | -68.6 | -87.2 | -179.5 | 179.7 | -2.4 | 105.2 | D165 Q169 | D165-R167 PolarHBondContact O-N 3.45Å; R167-Q169 PolarHBondContact O-N 3.44Å | ||
| 168 | K | 52 | Low | 60.4 | Low | 204 Ų | 204 | 146.2 Ų | 146.2 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | trans | -55.7 | 88.7 | 164.9 | -84.4 | -178.5 | 173.2 | 179.8 | 0 | 106.7 | Y166 G170 | Y166-K168 PolarHBondContact O-N 3.1Å; K168-G170 PolarHBondContact O-N 3.33Å | ||
| 169 | Q | 55.4 | Low | 62.1 | Low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | -54.8 | 109.6 | 165.5 | -74.9 | -102.7 | -21.1 | 0 | 0 | 105.3 | R167 | R167-Q169 PolarHBondContact O-N 3.44Š| ||
| 170 | G | 51.1 | Low | 64.1 | Low | 62 Ų | 62 | 145.9 Ų | 145.9 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | -54.7 | 148.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K168 G172 | K168-G170 PolarHBondContact O-N 3.33Å; G170-G172 PolarHBondContact O-N 2.83Å | ||
| 171 | L | 52.8 | Low | 65.6 | Low | 196 Ų | 196 | 144.7 Ų | 144.7 | 100% | 1.026 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -61.1 | 61.7 | 165.9 | -80.5 | 79.3 | 0 | 0 | 0 | 110.9 | ||
| 172 | G | 57 | Low | 67.7 | Low | 78 Ų | 78 | 142.7 Ų | 142.7 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -130.7 | 2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G170 | G170-G172 PolarHBondContact O-N 2.83Š|
| 173 | G | 66.4 | Low | 69.8 | Low | 57 Ų | 57 | 138.4 Ų | 138.4 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 173.5 | 144.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S175 | G173-S175 PolarHBondContact O-N 2.84Š|
| 174 | L | 77.2 | Confident | 71.7 | Confident | 67 Ų | 67 | 132.4 Ų | 132.4 | 35% | 0.351 | 66% | 0.658 | S | S | . | * | trans | -52 | 132.1 | 166 | -64.8 | 169 | 0 | 0 | 0 | 109 | K176 R178 R179 L182 | L174-K176 PolarHBondContact O-N 2.83Å; L174-R178 HydrophobicContact CD2-CG 4.09Å; L174-R178 VanDerWaalsContact CD2-CZ 3.43Å; L174-R179 HydrophobicContact CB-CB 4.47Å; L174-R179 PolarHBondContact O-NH2 3.21Å; L174-L182 HydrophobicContact CD1-CD2 4.36Å | ||
| 175 | S | 84.4 | Confident | 73.5 | Confident | 76 Ų | 76 | 132 Ų | 132 | 53% | 0.531 | 65% | 0.651 | S | S | . | * | trans | -46.3 | 141.3 | 168.9 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | G173 E177 R178 R179 | G173-S175 PolarHBondContact O-N 2.84Å; S175-E177 PolarHBondContact O-N 3.08Å; S175-E177 VanDerWaalsContact O-N 3.1Å; S175-R178 PolarHBondContact O-N 3.29Å; S175-R179 PolarHBondContact O-N 3.44Å | ||
| 176 | K | 86.7 | Confident | 75.5 | Confident | 188 Ų | 188 | 131 Ų | 131 | 82% | 0.817 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -50.9 | -37.7 | -179.3 | -174.9 | 179.6 | 177.8 | -177 | 0 | 111.3 | L174 R179 K180 | L174-K176 PolarHBondContact O-N 2.83Å; K176-R179 PolarHBondContact O-N 2.83Å; K176-K180 WeakPolarHBondContact O-CB 3.37Å; K176-K180 PolarHBondContact O-N 3.41Å |
| 177 | E | 85 | Confident | 77.4 | Confident | 148 Ų | 148 | 127.3 Ų | 127.3 | 69% | 0.692 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.6 | -49.1 | 175.8 | -174.1 | 174.8 | -164.2 | 0 | 0 | 112.4 | S175 R179 K180 K181 | S175-E177 PolarHBondContact O-N 3.08Å; S175-E177 VanDerWaalsContact O-N 3.1Å; E177-R179 VanDerWaalsContact C-N 3.3Å; E177-R179 PolarHBondContact O-N 2.94Å; E177-K180 PolarHBondContact O-N 2.71Å; E177-K181 PolarHBondContact O-N 2.97Å |
| 178 | R | 86.6 | Confident | 79 | Confident | 172 Ų | 172 | 120.5 Ų | 120.5 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.4 | -38.9 | 176.5 | -174 | 170.4 | 178.7 | -143.2 | -2 | 111.7 | L174 S175 K181 L182 | L174-R178 HydrophobicContact CD2-CG 4.09Å; L174-R178 VanDerWaalsContact CD2-CZ 3.43Å; S175-R178 PolarHBondContact O-N 3.29Å; R178-K181 PolarHBondContact O-N 3.49Å; R178-L182 WeakPolarHBondContact O-CB 3.44Å; R178-L182 PolarHBondContact O-N 3.38Å |
| 179 | R | 88.8 | Confident | 80.9 | Confident | 131 Ų | 131 | 117 Ų | 117 | 49% | 0.494 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.4 | -41.3 | 175.9 | -166.8 | -176.4 | -54 | 179.3 | 4.9 | 111.9 | L174 S175 K176 E177 L182 K183 | L174-R179 HydrophobicContact CB-CB 4.47Å; L174-R179 PolarHBondContact O-NH2 3.21Å; S175-R179 PolarHBondContact O-N 3.44Å; K176-R179 PolarHBondContact O-N 2.83Å; E177-R179 VanDerWaalsContact C-N 3.3Å; E177-R179 PolarHBondContact O-N 2.94Å; R179-L182 PolarHBondContact O-N 3.35Å; R179-K183 WeakPolarHBondContact O-CG 3.43Å; R179-K183 PolarHBondContact O-N 2.91Å |
| 180 | K | 89.7 | Confident | 82.6 | Confident | 154 Ų | 154 | 110.5 Ų | 110.5 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.9 | -49.7 | 175.1 | -174 | -176.6 | 175.7 | -172.2 | 0 | 110.7 | K176 E177 L182 K183 E184 | K176-K180 WeakPolarHBondContact O-CB 3.37Å; K176-K180 PolarHBondContact O-N 3.41Å; E177-K180 PolarHBondContact O-N 2.71Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.95Å; K180-K183 WeakPolarHBondContact O-CB 3.4Å; K180-K183 PolarHBondContact O-N 2.95Å; K180-E184 PolarHBondContact O-N 3.4Å |
| 181 | K | 89.6 | Confident | 84.3 | Confident | 118 Ų | 118 | 111.6 Ų | 111.6 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.7 | -40.3 | 177.1 | -173.6 | 171.4 | -176.3 | 170.7 | 0 | 112.5 | E177 R178 E184 M185 | E177-K181 PolarHBondContact O-N 2.97Å; R178-K181 PolarHBondContact O-N 3.49Å; K181-E184 WeakPolarHBondContact O-CB 3.39Å; K181-E184 PolarHBondContact O-N 3.01Å; K181-M185 WeakPolarHBondContact O-CG 3.48Å; K181-M185 PolarHBondContact O-N 3.27Å |
| 182 | L | 92.6 | Very high | 85.8 | Confident | 74 Ų | 74 | 105.2 Ų | 105.2 | 39% | 0.387 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.4 | -175.5 | 61.2 | 0 | 0 | 0 | 112.4 | L174 R178 R179 K180 E184 M185 I186 | L174-L182 HydrophobicContact CD1-CD2 4.36Å; R178-L182 WeakPolarHBondContact O-CB 3.44Å; R178-L182 PolarHBondContact O-N 3.38Å; R179-L182 PolarHBondContact O-N 3.35Å; K180-L182 VanDerWaalsContact C-N 3.31Å; K180-L182 PolarHBondContact O-N 2.95Å; L182-E184 VanDerWaalsContact C-N 3.28Å; L182-E184 PolarHBondContact O-N 3.47Å; L182-M185 HydrophobicContact CD1-CE 3.76Å; L182-M185 PolarHBondContact O-N 2.87Å; L182-I186 HydrophobicContact CD1-CD1 4.33Å; L182-I186 HydrophobicContact CG-CD1 4Å; L182-I186 VanDerWaalsContact O-CG1 3.26Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 3.37Å |
| 183 | K | 93 | Very high | 87.4 | Confident | 143 Ų | 143 | 105.5 Ų | 105.5 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -40.4 | 174.5 | -73.9 | -178.5 | 176.6 | -168.4 | 0 | 111.9 | R179 K180 I186 L187 | R179-K183 WeakPolarHBondContact O-CG 3.43Å; R179-K183 PolarHBondContact O-N 2.91Å; K180-K183 WeakPolarHBondContact O-CB 3.4Å; K180-K183 PolarHBondContact O-N 2.95Å; K183-I186 PolarHBondContact O-N 3.5Å; K183-L187 WeakPolarHBondContact O-CB 3.23Å; K183-L187 PolarHBondContact O-N 3.11Å |
| 184 | E | 89.8 | Confident | 88.4 | Confident | 94 Ų | 94 | 108.2 Ų | 108.2 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 176.5 | -177.8 | 168 | -153.2 | 0 | 0 | 111.8 | K180 K181 L182 I186 L187 Q188 | K180-E184 PolarHBondContact O-N 3.4Å; K181-E184 WeakPolarHBondContact O-CB 3.39Å; K181-E184 PolarHBondContact O-N 3.01Å; L182-E184 VanDerWaalsContact C-N 3.28Å; L182-E184 PolarHBondContact O-N 3.47Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 3.46Å; E184-L187 PolarHBondContact O-N 2.91Å; E184-Q188 WeakPolarHBondContact O-CB 3.42Å; E184-Q188 WeakPolarHBondContact O-CG 3.37Å; E184-Q188 PolarHBondContact O-N 3.1Å |
| 185 | M | 91.4 | Very high | 88.6 | Confident | 92 Ų | 92 | 105.7 Ų | 105.7 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 175.3 | -69.3 | -173.5 | -55.3 | 0 | 0 | 112.6 | K181 L182 Q188 K189 | K181-M185 WeakPolarHBondContact O-CG 3.48Å; K181-M185 PolarHBondContact O-N 3.27Å; L182-M185 HydrophobicContact CD1-CE 3.76Å; L182-M185 PolarHBondContact O-N 2.87Å; M185-Q188 PolarHBondContact O-N 3.36Å; M185-K189 WeakPolarHBondContact O-CB 3.5Å; M185-K189 PolarHBondContact O-N 3.01Å |
| 186 | I | 93.5 | Very high | 88.6 | Confident | 103 Ų | 103 | 106.8 Ų | 106.8 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.1 | -68.8 | 165.6 | 0 | 0 | 0 | 110.4 | L182 K183 E184 K189 A190 | L182-I186 HydrophobicContact CD1-CD1 4.33Å; L182-I186 HydrophobicContact CG-CD1 4Å; L182-I186 VanDerWaalsContact O-CG1 3.26Å; L182-I186 WeakPolarHBondContact O-CG1 3.39Å; L182-I186 PolarHBondContact O-N 3.37Å; K183-I186 PolarHBondContact O-N 3.5Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 3.46Å; I186-K189 PolarHBondContact O-N 3.43Å; I186-A190 WeakPolarHBondContact O-CB 3.27Å; I186-A190 PolarHBondContact O-N 3.3Å |
| 187 | L | 91.2 | Very high | 88.8 | Confident | 127 Ų | 127 | 103 Ų | 103 | 67% | 0.665 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 178.8 | -174 | 64.9 | 0 | 0 | 0 | 111.9 | K183 E184 A190 K191 | K183-L187 WeakPolarHBondContact O-CB 3.23Å; K183-L187 PolarHBondContact O-N 3.11Å; E184-L187 PolarHBondContact O-N 2.91Å; L187-A190 PolarHBondContact O-N 2.95Å; L187-K191 WeakPolarHBondContact O-CB 3.21Å; L187-K191 PolarHBondContact O-N 3.43Å |
| 188 | Q | 85.4 | Confident | 88.7 | Confident | 65 Ų | 65 | 102.1 Ų | 102.1 | 30% | 0.304 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 173.5 | -76.4 | 176.5 | -20.5 | 0 | 0 | 110.9 | E184 M185 K191 N192 | E184-Q188 WeakPolarHBondContact O-CB 3.42Å; E184-Q188 WeakPolarHBondContact O-CG 3.37Å; E184-Q188 PolarHBondContact O-N 3.1Å; M185-Q188 PolarHBondContact O-N 3.36Å; Q188-K191 PolarHBondContact O-N 2.96Å; Q188-N192 VanDerWaalsContact O-CG 3.31Å; Q188-N192 PolarHBondContact O-N 2.94Å |
| 189 | K | 91 | Very high | 88.4 | Confident | 129 Ų | 129 | 97.6 Ų | 97.6 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.3 | -47.7 | 176.4 | -168.1 | -175.1 | -174.7 | -118.5 | 0 | 111.8 | M185 I186 K191 N192 E193 | M185-K189 WeakPolarHBondContact O-CB 3.5Å; M185-K189 PolarHBondContact O-N 3.01Å; I186-K189 PolarHBondContact O-N 3.43Å; K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 PolarHBondContact O-N 3.41Å; K189-N192 WeakPolarHBondContact O-CB 3.48Å; K189-N192 PolarHBondContact O-N 2.95Å; K189-N192 VanDerWaalsContact O-N 3.12Å; K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 IonicContact NZ-OE1 3.93Å; K189-E193 PolarHBondContact NZ-OE1 3.03Å; K189-E193 WeakPolarHBondContact O-CG 3.26Å; K189-E193 PolarHBondContact O-N 3.42Å |
| 190 | A | 92.5 | Very high | 88.4 | Confident | 46 Ų | 46 | 96 Ų | 96 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I186 L187 L194 | I186-A190 WeakPolarHBondContact O-CB 3.27Å; I186-A190 PolarHBondContact O-N 3.3Å; L187-A190 PolarHBondContact O-N 2.95Å; A190-L194 VanDerWaalsContact O-CB 3.32Å; A190-L194 WeakPolarHBondContact O-CB 3.34Å; A190-L194 PolarHBondContact O-N 3.34Å |
| 191 | K | 86.5 | Confident | 88.2 | Confident | 86 Ų | 86 | 94.7 Ų | 94.7 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 173.5 | -173.9 | -178.2 | 177.9 | -175.4 | 0 | 111.3 | E111 L115 L187 Q188 K189 L194 L195 | E111-K191 IonicContact OE1-NZ 3.75Å; L115-K191 HydrophobicContact CD1-CD 4.12Å; L187-K191 WeakPolarHBondContact O-CB 3.21Å; L187-K191 PolarHBondContact O-N 3.43Å; Q188-K191 PolarHBondContact O-N 2.96Å; K189-K191 VanDerWaalsContact C-N 3.3Å; K189-K191 PolarHBondContact O-N 3.41Å; K191-L194 PolarHBondContact O-N 3.21Å; K191-L195 HydrophobicContact CG-CD1 4.46Å; K191-L195 WeakPolarHBondContact O-CB 3.48Å; K191-L195 WeakPolarHBondContact O-CG 3.38Å; K191-L195 PolarHBondContact O-N 2.98Å |
| 192 | N | 83 | Confident | 88 | Confident | 61 Ų | 61 | 90 Ų | 90 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 178.6 | -70.6 | -13.4 | 0 | 0 | 0 | 112.1 | L115 Q188 K189 L195 E196 | L115-N192 WeakPolarHBondContact CD2-OD1 3.33Å; Q188-N192 VanDerWaalsContact O-CG 3.31Å; Q188-N192 PolarHBondContact O-N 2.94Å; K189-N192 WeakPolarHBondContact O-CB 3.48Å; K189-N192 PolarHBondContact O-N 2.95Å; K189-N192 VanDerWaalsContact O-N 3.12Å; N192-L195 PolarHBondContact O-N 2.84Å; N192-E196 PolarHBondContact O-N 2.92Å |
| 193 | E | 90.5 | Very high | 87.6 | Confident | 84 Ų | 84 | 91.6 Ų | 91.6 | 39% | 0.393 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.6 | -72.8 | 173.9 | -177.1 | 0 | 0 | 111.1 | K189 L195 E196 E197 | K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 IonicContact NZ-OE1 3.93Å; K189-E193 PolarHBondContact NZ-OE1 3.03Å; K189-E193 WeakPolarHBondContact O-CG 3.26Å; K189-E193 PolarHBondContact O-N 3.42Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 2.95Å; E193-E196 PolarHBondContact O-N 3.4Å; E193-E196 VanDerWaalsContact O-N 3.17Å; E193-E197 WeakPolarHBondContact O-CG 3.19Å; E193-E197 PolarHBondContact O-N 3.1Å |
| 194 | L | 87.8 | Confident | 87.5 | Confident | 115 Ų | 115 | 89.7 Ų | 89.7 | 60% | 0.602 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.8 | -40.8 | 176.3 | -179.3 | 65.6 | 0 | 0 | 0 | 112.7 | A190 K191 R198 | A190-L194 VanDerWaalsContact O-CB 3.32Å; A190-L194 WeakPolarHBondContact O-CB 3.34Å; A190-L194 PolarHBondContact O-N 3.34Å; K191-L194 PolarHBondContact O-N 3.21Å; L194-R198 PolarHBondContact O-N 3.37Å; L194-R198 VanDerWaalsContact O-N 3.08Å |
| 195 | L | 81.8 | Confident | 87.5 | Confident | 13 Ų | 13 | 91.8 Ų | 91.8 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 175 | -77.4 | 177.7 | 0 | 0 | 0 | 110.7 | F108 E111 K191 N192 E193 E197 R198 R199 | F108-L195 HydrophobicContact CD2-CD2 4.15Å; F108-L195 HydrophobicContact CE2-CB 3.46Å; F108-L195 VanDerWaalsContact CE2-CB 3.46Å; F108-L195 HydrophobicContact CE2-CD2 3.65Å; F108-L195 HydrophobicContact CE2-CG 4.09Å; F108-L195 WeakPolarHBondContact CE2-O 3.41Å; F108-L195 HydrophobicContact CZ-CB 3.68Å; F108-L195 WeakPolarHBondContact CZ-O 3.49Å; E111-L195 HydrophobicContact CG-CD1 4.3Å; E111-L195 HydrophobicContact CG-CD2 4.43Å; E111-L195 WeakPolarHBondContact OE2-CD2 3.48Å; K191-L195 HydrophobicContact CG-CD1 4.46Å; K191-L195 WeakPolarHBondContact O-CB 3.48Å; K191-L195 WeakPolarHBondContact O-CG 3.38Å; K191-L195 PolarHBondContact O-N 2.98Å; N192-L195 PolarHBondContact O-N 2.84Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 2.95Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-E197 PolarHBondContact O-N 3.41Å; L195-R198 WeakPolarHBondContact O-CB 3.36Å; L195-R198 PolarHBondContact O-N 3.14Å; L195-R199 PolarHBondContact O-N 3.49Å |
| 196 | E | 85.1 | Confident | 87.1 | Confident | 100 Ų | 100 | 90 Ų | 90 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 179.1 | -166.3 | -172.1 | 154.3 | 0 | 0 | 112.6 | N192 E193 R199 K200 | N192-E196 PolarHBondContact O-N 2.92Å; E193-E196 PolarHBondContact O-N 3.4Å; E193-E196 VanDerWaalsContact O-N 3.17Å; E196-R199 PolarHBondContact O-N 3.04Å; E196-K200 WeakPolarHBondContact O-CG 3.48Å; E196-K200 PolarHBondContact O-N 3.3Å; E196-K200 WeakPolarHBondContact OE1-CE 3.5Å; E196-K200 IonicContact OE1-NZ 2.72Å; E196-K200 PolarHBondContact OE1-NZ 2.98Å |
| 197 | E | 89.1 | Confident | 87 | Confident | 108 Ų | 108 | 88.8 Ų | 88.8 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 173.4 | -76.5 | 178.4 | 173.3 | 0 | 0 | 111.3 | E193 L195 R199 K200 E201 | E193-E197 WeakPolarHBondContact O-CG 3.19Å; E193-E197 PolarHBondContact O-N 3.1Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-E197 PolarHBondContact O-N 3.41Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 2.93Å; E197-K200 WeakPolarHBondContact O-CA 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.22Å; E197-K200 PolarHBondContact O-N 2.95Å; E197-E201 WeakPolarHBondContact O-CG 3.36Å; E197-E201 PolarHBondContact O-N 2.82Å |
| 198 | R | 83.2 | Confident | 87 | Confident | 129 Ų | 129 | 88 Ų | 88 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.4 | -41 | 176.5 | -171.5 | 177.1 | -175.9 | -174.6 | 0.8 | 112 | L194 L195 E201 L202 | L194-R198 PolarHBondContact O-N 3.37Å; L194-R198 VanDerWaalsContact O-N 3.08Å; L195-R198 WeakPolarHBondContact O-CB 3.36Å; L195-R198 PolarHBondContact O-N 3.14Å; R198-E201 PolarHBondContact O-N 2.71Å; R198-L202 WeakPolarHBondContact O-CG 3.5Å; R198-L202 PolarHBondContact O-N 3.18Å |
| 199 | R | 80.2 | Confident | 87.1 | Confident | 77 Ų | 77 | 88.7 Ų | 88.7 | 29% | 0.291 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 176.2 | -172.8 | 178.5 | -173.6 | -177.4 | 3.2 | 112.1 | F108 L195 E196 E197 L202 R203 | F108-R199 HydrophobicContact CD1-CB 4.25Å; F108-R199 HydrophobicContact CD1-CG 4.3Å; F108-R199 HydrophobicContact CE1-CB 3.82Å; F108-R199 HydrophobicContact CE1-CG 4.14Å; F108-R199 HydrophobicContact CE2-CB 4.35Å; F108-R199 HydrophobicContact CZ-CB 3.89Å; L195-R199 PolarHBondContact O-N 3.49Å; E196-R199 PolarHBondContact O-N 3.04Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 2.93Å; R199-L202 PolarHBondContact O-N 2.88Å; R199-R203 VanDerWaalsContact CD-NH2 3.29Å; R199-R203 VanDerWaalsContact CZ-NH2 3.28Å; R199-R203 WeakPolarHBondContact O-CG 3.5Å; R199-R203 PolarHBondContact O-N 2.75Å; R199-R203 VanDerWaalsContact O-N 3.08Å |
| 200 | K | 88.7 | Confident | 87.1 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 175.7 | -71.9 | 171.3 | -176.8 | 163.5 | 0 | 110.8 | E196 E197 L202 R203 N204 | E196-K200 WeakPolarHBondContact O-CG 3.48Å; E196-K200 PolarHBondContact O-N 3.3Å; E196-K200 WeakPolarHBondContact OE1-CE 3.5Å; E196-K200 IonicContact OE1-NZ 2.72Å; E196-K200 PolarHBondContact OE1-NZ 2.98Å; E197-K200 WeakPolarHBondContact O-CA 3.32Å; E197-K200 WeakPolarHBondContact O-CB 3.22Å; E197-K200 PolarHBondContact O-N 2.95Å; K200-L202 PolarHBondContact O-N 3.03Å; K200-R203 PolarHBondContact O-N 3.45Å; K200-N204 VanDerWaalsContact O-CB 3.32Å; K200-N204 WeakPolarHBondContact O-CB 3.49Å; K200-N204 PolarHBondContact O-N 3Å; K200-N204 PolarHBondContact O-ND2 3.38Å; K200-N204 PolarHBondContact O-OD1 3.46Å |
| 201 | E | 87.2 | Confident | 87 | Confident | 127 Ų | 127 | 93.3 Ų | 93.3 | 59% | 0.593 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 175.2 | -71.8 | 176.6 | 172.9 | 0 | 0 | 112.2 | E197 R198 N204 R205 | E197-E201 WeakPolarHBondContact O-CG 3.36Å; E197-E201 PolarHBondContact O-N 2.82Å; R198-E201 PolarHBondContact O-N 2.71Å; E201-N204 PolarHBondContact O-N 2.93Å; E201-R205 VanDerWaalsContact O-CB 3.24Å; E201-R205 WeakPolarHBondContact O-CB 3.36Å; E201-R205 PolarHBondContact O-N 2.67Å |
| 202 | L | 83.7 | Confident | 87.1 | Confident | 19 Ų | 19 | 92.6 Ų | 92.6 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.6 | -70.8 | 179.4 | 0 | 0 | 0 | 112.6 | L101 E104 R198 R199 K200 R205 E206 | L101-L202 HydrophobicContact CD2-CB 4.38Å; E104-L202 HydrophobicContact CB-CD1 3.96Å; E104-L202 WeakPolarHBondContact OE2-CD2 3.46Å; R198-L202 WeakPolarHBondContact O-CG 3.5Å; R198-L202 PolarHBondContact O-N 3.18Å; R199-L202 PolarHBondContact O-N 2.88Å; K200-L202 PolarHBondContact O-N 3.03Å; L202-R205 WeakPolarHBondContact O-CB 3.48Å; L202-R205 PolarHBondContact O-N 2.91Å; L202-E206 PolarHBondContact O-N 2.87Å |
| 203 | R | 86.1 | Confident | 87.3 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 41% | 0.408 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 174.6 | -68.9 | -174.4 | -146.7 | 159.8 | 6.1 | 111.8 | R199 K200 R205 E206 D207 | R199-R203 VanDerWaalsContact CD-NH2 3.29Å; R199-R203 VanDerWaalsContact CZ-NH2 3.28Å; R199-R203 WeakPolarHBondContact O-CG 3.5Å; R199-R203 PolarHBondContact O-N 2.75Å; R199-R203 VanDerWaalsContact O-N 3.08Å; K200-R203 PolarHBondContact O-N 3.45Å; R203-R205 PolarHBondContact O-N 3.18Å; R203-E206 PolarHBondContact O-N 3.45Å; R203-E206 VanDerWaalsContact O-N 3.1Å; R203-D207 WeakPolarHBondContact O-CB 3.39Å; R203-D207 PolarHBondContact O-N 3.06Å |
| 204 | N | 90.7 | Very high | 87.1 | Confident | 102 Ų | 102 | 92.5 Ų | 92.5 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 177.5 | -70.8 | -14.6 | 0 | 0 | 0 | 111.2 | K200 E201 H208 | K200-N204 VanDerWaalsContact O-CB 3.32Å; K200-N204 WeakPolarHBondContact O-CB 3.49Å; K200-N204 PolarHBondContact O-N 3Å; K200-N204 PolarHBondContact O-ND2 3.38Å; K200-N204 PolarHBondContact O-OD1 3.46Å; E201-N204 PolarHBondContact O-N 2.93Å; N204-H208 VanDerWaalsContact O-CB 3.23Å; N204-H208 WeakPolarHBondContact O-CB 3.2Å; N204-H208 PolarHBondContact O-N 3.36Å |
| 205 | R | 88.4 | Confident | 87.1 | Confident | 139 Ų | 139 | 93.1 Ų | 93.1 | 53% | 0.525 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 173.9 | 178.3 | -179 | -177.9 | 150.8 | 4.2 | 111.2 | E201 L202 R203 H208 I209 | E201-R205 VanDerWaalsContact O-CB 3.24Å; E201-R205 WeakPolarHBondContact O-CB 3.36Å; E201-R205 PolarHBondContact O-N 2.67Å; L202-R205 WeakPolarHBondContact O-CB 3.48Å; L202-R205 PolarHBondContact O-N 2.91Å; R203-R205 PolarHBondContact O-N 3.18Å; R205-H208 PolarHBondContact O-N 2.93Å; R205-I209 HydrophobicContact CG-CD1 3.9Å; R205-I209 VanDerWaalsContact O-CG1 3.26Å; R205-I209 WeakPolarHBondContact O-CG1 3.43Å; R205-I209 PolarHBondContact O-N 2.95Å |
| 206 | E | 84.4 | Confident | 87.2 | Confident | 55 Ų | 55 | 99 Ų | 99 | 26% | 0.257 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 177.3 | -171.6 | -176.2 | 173.6 | 0 | 0 | 111.6 | L101 L202 R203 H208 I209 K210 | L101-E206 HydrophobicContact CD1-CB 4.06Å; L101-E206 HydrophobicContact CD1-CG 3.98Å; L101-E206 HydrophobicContact CD2-CB 4.28Å; L202-E206 PolarHBondContact O-N 2.87Å; R203-E206 PolarHBondContact O-N 3.45Å; R203-E206 VanDerWaalsContact O-N 3.1Å; E206-H208 VanDerWaalsContact C-N 3.27Å; E206-H208 PolarHBondContact O-N 3.18Å; E206-I209 PolarHBondContact O-N 2.95Å; E206-K210 VanDerWaalsContact CD-NZ 3.3Å; E206-K210 HydrophobicContact CG-CD 4.25Å; E206-K210 WeakPolarHBondContact O-CB 3.42Å; E206-K210 WeakPolarHBondContact O-CG 3.5Å; E206-K210 PolarHBondContact O-N 3.49Å; E206-K210 WeakPolarHBondContact OE1-CE 3.26Å; E206-K210 IonicContact OE1-NZ 2.66Å; E206-K210 PolarHBondContact OE1-NZ 3.18Å |
| 207 | D | 90.4 | Very high | 87.2 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 177 | -71 | -17.7 | 0 | 0 | 0 | 111.5 | R203 K211 | R203-D207 WeakPolarHBondContact O-CB 3.39Å; R203-D207 PolarHBondContact O-N 3.06Å; D207-K211 WeakPolarHBondContact O-CD 3.42Å; D207-K211 VanDerWaalsContact O-CG 3.22Å; D207-K211 WeakPolarHBondContact O-CG 3.25Å; D207-K211 PolarHBondContact O-N 3.47Å; D207-K211 VanDerWaalsContact O-N 3.12Å |
| 208 | H | 90.6 | Very high | 87.1 | Confident | 110 Ų | 110 | 98.1 Ų | 98.1 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 173.8 | -175.6 | 84.4 | 0 | 0 | 0 | 111.7 | N204 R205 E206 K210 K211 Q212 | N204-H208 VanDerWaalsContact O-CB 3.23Å; N204-H208 WeakPolarHBondContact O-CB 3.2Å; N204-H208 PolarHBondContact O-N 3.36Å; R205-H208 PolarHBondContact O-N 2.93Å; E206-H208 VanDerWaalsContact C-N 3.27Å; E206-H208 PolarHBondContact O-N 3.18Å; H208-K210 PolarHBondContact O-N 2.93Å; H208-K211 PolarHBondContact O-N 2.97Å; H208-Q212 WeakPolarHBondContact O-CG 3.28Å; H208-Q212 PolarHBondContact O-N 2.98Å |
| 209 | I | 89.1 | Confident | 87.4 | Confident | 79 Ų | 79 | 98.3 Ų | 98.3 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.8 | -69.4 | 166.4 | 0 | 0 | 0 | 110.5 | R205 E206 K211 Q212 A213 | R205-I209 HydrophobicContact CG-CD1 3.9Å; R205-I209 VanDerWaalsContact O-CG1 3.26Å; R205-I209 WeakPolarHBondContact O-CG1 3.43Å; R205-I209 PolarHBondContact O-N 2.95Å; E206-I209 PolarHBondContact O-N 2.95Å; I209-K211 VanDerWaalsContact C-N 3.27Å; I209-K211 PolarHBondContact O-N 2.98Å; I209-Q212 PolarHBondContact O-N 3.39Å; I209-A213 PolarHBondContact O-N 3.36Å |
| 210 | K | 89.5 | Confident | 87.8 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 45% | 0.452 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -35.4 | 176.1 | -74.7 | 173.7 | -178.9 | 163.3 | 0 | 112.7 | E206 H208 P214 | E206-K210 VanDerWaalsContact CD-NZ 3.3Å; E206-K210 HydrophobicContact CG-CD 4.25Å; E206-K210 WeakPolarHBondContact O-CB 3.42Å; E206-K210 WeakPolarHBondContact O-CG 3.5Å; E206-K210 PolarHBondContact O-N 3.49Å; E206-K210 WeakPolarHBondContact OE1-CE 3.26Å; E206-K210 IonicContact OE1-NZ 2.66Å; E206-K210 PolarHBondContact OE1-NZ 3.18Å; H208-K210 PolarHBondContact O-N 2.93Å; K210-P214 WeakPolarHBondContact O-CA 3.49Å |
| 211 | K | 91.3 | Very high | 87.8 | Confident | 168 Ų | 168 | 96.1 Ų | 96.1 | 73% | 0.73 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.1 | -40.3 | 175.1 | -73.4 | 168.8 | -174.6 | 175.9 | 0 | 112.4 | D207 H208 I209 | D207-K211 WeakPolarHBondContact O-CD 3.42Å; D207-K211 VanDerWaalsContact O-CG 3.22Å; D207-K211 WeakPolarHBondContact O-CG 3.25Å; D207-K211 PolarHBondContact O-N 3.47Å; D207-K211 VanDerWaalsContact O-N 3.12Å; H208-K211 PolarHBondContact O-N 2.97Å; I209-K211 VanDerWaalsContact C-N 3.27Å; I209-K211 PolarHBondContact O-N 2.98Å |
| 212 | Q | 88.4 | Confident | 88 | Confident | 71 Ų | 71 | 95.6 Ų | 95.6 | 33% | 0.332 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -79.4 | -34.3 | -177.8 | -67.9 | -62.1 | -18.9 | 0 | 0 | 113.5 | H208 I209 H236 | H208-Q212 WeakPolarHBondContact O-CG 3.28Å; H208-Q212 PolarHBondContact O-N 2.98Å; I209-Q212 PolarHBondContact O-N 3.39Å; Q212-H236 PolarHBondContact O-NE2 3.05Å |
| 213 | A | 86.3 | Confident | 88.4 | Confident | 63 Ų | 63 | 100.8 Ų | 100.8 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -134.3 | 77.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | I209 | I209-A213 PolarHBondContact O-N 3.36Š|
| 214 | P | 86.9 | Confident | 88.8 | Confident | 81 Ų | 81 | 102.9 Ų | 102.9 | 53% | 0.526 | 54% | 0.543 | S | S | . | . | trans | -62.2 | 147.7 | 174.8 | 26 | -33.4 | 0 | 0 | 0 | 110.1 | K210 F216 | K210-P214 WeakPolarHBondContact O-CA 3.49Å; P214-F216 PolarHBondContact O-N 3.37Å | ||
| 215 | P | 87.1 | Confident | 88.9 | Confident | 127 Ų | 127 | 102.2 Ų | 102.2 | 83% | 0.825 | 54% | 0.537 | S | S | * | . | trans | -53.7 | 128.3 | 170 | -22.5 | 32.8 | 0 | 0 | 0 | 109.4 | ||||
| 216 | F | 84 | Confident | 89.1 | Confident | 136 Ų | 136 | 98.6 Ų | 98.6 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | trans | -108.9 | 138.3 | -179.7 | 53.2 | -95.6 | 0 | 0 | 0 | 110.1 | P214 I218 W233 | P214-F216 PolarHBondContact O-N 3.37Å; F216-I218 HydrophobicContact CD2-CG2 4.09Å; F216-I218 HydrophobicContact CE2-CG2 4.46Å; F216-W233 HydrophobicContact CB-CH2 4.22Å; F216-W233 HydrophobicContact CB-CZ2 3.61Å; F216-W233 HydrophobicContact CD1-CH2 4.41Å; F216-W233 HydrophobicContact CD1-CZ2 4.04Å; F216-W233 AromaticContact CD2-CH2 3.36Å; F216-W233 HydrophobicContact CD2-CH2 3.36Å; F216-W233 AromaticContact CD2-CZ2 3.63Å; F216-W233 HydrophobicContact CD2-CZ2 3.63Å; F216-W233 HydrophobicContact CD2-CZ3 4.36Å; F216-W233 AromaticContact CE2-CH2 3.71Å; F216-W233 HydrophobicContact CE2-CH2 3.71Å; F216-W233 HydrophobicContact CE2-CZ2 4.28Å; F216-W233 HydrophobicContact CE2-CZ3 4.31Å; F216-W233 AromaticContact CG-CH2 3.75Å; F216-W233 HydrophobicContact CG-CH2 3.75Å; F216-W233 AromaticContact CG-CZ2 3.48Å; F216-W233 HydrophobicContact CG-CZ2 3.48Å; F216-W233 VanDerWaalsContact CG-CZ2 3.48Å; F216-W233 HydrophobicContact CZ-CH2 4.37Å | ||
| 217 | D | 85.9 | Confident | 89.6 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | trans | -101.4 | 133 | 169.3 | -164.5 | 0.5 | 0 | 0 | 0 | 109.5 | D219 K229 | D217-D219 WeakPolarHBondContact OD1-CB 3.44Å; D217-D219 PolarHBondContact OD1-N 3.23Å; D217-K229 PolarHBondContact O-NZ 2.84Å | ||
| 218 | I | 87.6 | Confident | 89.8 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 45% | 0.451 | 55% | 0.548 | S | S | . | . | trans | -106.6 | -11.6 | 176.8 | 57.1 | 173.8 | 0 | 0 | 0 | 111.7 | F216 W233 | F216-I218 HydrophobicContact CD2-CG2 4.09Å; F216-I218 HydrophobicContact CE2-CG2 4.46Å; I218-W233 HydrophobicContact CG2-CH2 3.98Å | ||
| 219 | D | 89 | Confident | 89.9 | Confident | 132 Ų | 132 | 101.7 Ų | 101.7 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 131.7 | -174.6 | -65 | -22.3 | 0 | 0 | 0 | 110.2 | D217 | D217-D219 WeakPolarHBondContact OD1-CB 3.44Å; D217-D219 PolarHBondContact OD1-N 3.23Å |
| 220 | G | 87.9 | Confident | 90.1 | Very high | 81 Ų | 81 | 101.7 Ų | 101.7 | 84% | 0.835 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 6.6 | 177 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 221 | L | 89.2 | Confident | 90.4 | Very high | 49 Ų | 49 | 103.4 Ų | 103.4 | 26% | 0.257 | 55% | 0.549 | S | S | . | . | trans | -80.9 | 136.4 | 176.1 | -64.3 | 166.1 | 0 | 0 | 0 | 112 | Q225 L226 K229 | L221-Q225 HydrophobicContact CB-CB 4.29Å; L221-Q225 HydrophobicContact CD2-CB 4Å; L221-L226 HydrophobicContact CD1-CD1 4.48Å; L221-K229 HydrophobicContact CD1-CD 3.68Å | ||
| 222 | N | 90.8 | Very high | 90.5 | Very high | 116 Ų | 116 | 98.8 Ų | 98.8 | 62% | 0.62 | 54% | 0.538 | S | S | * | . | trans | -71.5 | 157.3 | 168.8 | -71.6 | -34.5 | 0 | 0 | 0 | 111 | M224 Q225 L226 | N222-M224 VanDerWaalsContact C-N 3.29Å; N222-M224 PolarHBondContact O-N 3.05Å; N222-M224 VanDerWaalsContact O-N 3.16Å; N222-Q225 HydrophobicContact CB-CG 4.45Å; N222-Q225 WeakPolarHBondContact O-CB 3.49Å; N222-Q225 PolarHBondContact O-N 3.15Å; N222-L226 PolarHBondContact O-N 2.87Å | ||
| 223 | Q | 93.1 | Very high | 90.7 | Very high | 128 Ų | 128 | 99.6 Ų | 99.6 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -48.2 | -47 | -179.2 | -179.8 | 63.9 | 22.1 | 0 | 0 | 113.4 | Q225 L226 E227 | Q223-Q225 PolarHBondContact O-N 3.35Å; Q223-L226 PolarHBondContact O-N 2.92Å; Q223-E227 PolarHBondContact NE2-OE1 3.49Å; Q223-E227 WeakPolarHBondContact O-CG 3.32Å; Q223-E227 PolarHBondContact O-N 3.44Å |
| 224 | M | 93.3 | Very high | 91.2 | Very high | 152 Ų | 152 | 104.4 Ų | 104.4 | 75% | 0.749 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 178 | -74.8 | 179.1 | 46.1 | 0 | 0 | 113.1 | N222 L226 E227 E228 | N222-M224 VanDerWaalsContact C-N 3.29Å; N222-M224 PolarHBondContact O-N 3.05Å; N222-M224 VanDerWaalsContact O-N 3.16Å; M224-L226 VanDerWaalsContact C-N 3.31Å; M224-E227 PolarHBondContact O-N 2.99Å; M224-E228 PolarHBondContact O-N 2.86Å; M224-E228 VanDerWaalsContact O-N 3.07Å |
| 225 | Q | 93.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 106.2 Ų | 106.2 | 41% | 0.411 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.4 | -35.4 | 179.2 | -64.9 | 175.4 | -36.7 | 0 | 0 | 111 | L221 N222 Q223 K229 | L221-Q225 HydrophobicContact CB-CB 4.29Å; L221-Q225 HydrophobicContact CD2-CB 4Å; N222-Q225 HydrophobicContact CB-CG 4.45Å; N222-Q225 WeakPolarHBondContact O-CB 3.49Å; N222-Q225 PolarHBondContact O-N 3.15Å; Q223-Q225 PolarHBondContact O-N 3.35Å; Q225-K229 WeakPolarHBondContact O-CG 3.45Å; Q225-K229 PolarHBondContact O-N 3.15Å |
| 226 | L | 93.6 | Very high | 92 | Very high | 63 Ų | 63 | 103.4 Ų | 103.4 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 175.7 | -173.6 | 62.8 | 0 | 0 | 0 | 111.3 | L221 N222 Q223 M224 E228 K229 V230 | L221-L226 HydrophobicContact CD1-CD1 4.48Å; N222-L226 PolarHBondContact O-N 2.87Å; Q223-L226 PolarHBondContact O-N 2.92Å; M224-L226 VanDerWaalsContact C-N 3.31Å; L226-E228 VanDerWaalsContact C-N 3.35Å; L226-E228 PolarHBondContact O-N 2.92Å; L226-K229 PolarHBondContact O-N 2.97Å; L226-V230 VanDerWaalsContact O-CG2 3.26Å; L226-V230 WeakPolarHBondContact O-CG2 3.3Å; L226-V230 PolarHBondContact O-N 3.41Å |
| 227 | E | 94.4 | Very high | 92.5 | Very high | 92 Ų | 92 | 100.4 Ų | 100.4 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176 | -73.8 | 176.1 | -162.3 | 0 | 0 | 112.6 | Q223 M224 V230 K231 | Q223-E227 PolarHBondContact NE2-OE1 3.49Å; Q223-E227 WeakPolarHBondContact O-CG 3.32Å; Q223-E227 PolarHBondContact O-N 3.44Å; M224-E227 PolarHBondContact O-N 2.99Å; E227-V230 PolarHBondContact O-N 3.45Å; E227-K231 WeakPolarHBondContact O-CG 3.48Å; E227-K231 PolarHBondContact O-N 3.43Å; E227-K231 VanDerWaalsContact O-N 3.1Å |
| 228 | E | 94.4 | Very high | 93 | Very high | 144 Ų | 144 | 102 Ų | 102 | 67% | 0.673 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | 175.4 | -173.4 | 175.4 | -163.4 | 0 | 0 | 111.8 | M224 L226 V230 K231 S232 | M224-E228 PolarHBondContact O-N 2.86Å; M224-E228 VanDerWaalsContact O-N 3.07Å; L226-E228 VanDerWaalsContact C-N 3.35Å; L226-E228 PolarHBondContact O-N 2.92Å; E228-V230 PolarHBondContact O-N 3.02Å; E228-K231 PolarHBondContact O-N 2.81Å; E228-S232 PolarHBondContact O-N 2.93Å |
| 229 | K | 92.7 | Very high | 93.4 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 30% | 0.304 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 175.6 | -80.1 | -157.2 | -174.1 | -175.6 | 0 | 112.2 | D217 L221 Q225 L226 K231 S232 W233 | D217-K229 PolarHBondContact O-NZ 2.84Å; L221-K229 HydrophobicContact CD1-CD 3.68Å; Q225-K229 WeakPolarHBondContact O-CG 3.45Å; Q225-K229 PolarHBondContact O-N 3.15Å; L226-K229 PolarHBondContact O-N 2.97Å; K229-K231 PolarHBondContact O-N 3.24Å; K229-S232 PolarHBondContact O-N 2.9Å; K229-W233 HydrophobicContact CD-CZ2 4.39Å; K229-W233 PolarHBondContact O-N 3.04Å |
| 230 | V | 93.4 | Very high | 93.6 | Very high | 80 Ų | 80 | 99.6 Ų | 99.6 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | -179.9 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L226 E227 E228 W233 Y234 | L226-V230 VanDerWaalsContact O-CG2 3.26Å; L226-V230 WeakPolarHBondContact O-CG2 3.3Å; L226-V230 PolarHBondContact O-N 3.41Å; E227-V230 PolarHBondContact O-N 3.45Å; E228-V230 PolarHBondContact O-N 3.02Å; V230-W233 PolarHBondContact O-N 3.16Å; V230-Y234 WeakPolarHBondContact O-CB 3.49Å; V230-Y234 PolarHBondContact O-N 3.3Å |
| 231 | K | 95.7 | Very high | 94 | Very high | 139 Ų | 139 | 101.9 Ų | 101.9 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 174.5 | -72.7 | 173.6 | -176.3 | 172.4 | 0 | 111.8 | E227 E228 K229 W233 Y234 E235 | E227-K231 WeakPolarHBondContact O-CG 3.48Å; E227-K231 PolarHBondContact O-N 3.43Å; E227-K231 VanDerWaalsContact O-N 3.1Å; E228-K231 PolarHBondContact O-N 2.81Å; K229-K231 PolarHBondContact O-N 3.24Å; K231-W233 PolarHBondContact O-N 2.99Å; K231-Y234 PolarHBondContact O-N 2.82Å; K231-E235 PolarHBondContact O-N 3.5Å |
| 232 | S | 93.9 | Very high | 94.3 | Very high | 71 Ų | 71 | 102.7 Ų | 102.7 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.8 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | E228 K229 Y234 E235 H236 | E228-S232 PolarHBondContact O-N 2.93Å; K229-S232 PolarHBondContact O-N 2.9Å; S232-Y234 PolarHBondContact O-N 2.85Å; S232-E235 PolarHBondContact O-N 3.4Å; S232-H236 WeakPolarHBondContact O-CB 3.3Å; S232-H236 PolarHBondContact O-N 3.44Å |
| 233 | W | 93.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 101.3 Ų | 101.3 | 34% | 0.337 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 175.8 | -71.9 | -17.4 | 0 | 0 | 0 | 112.8 | F216 I218 K229 V230 K231 E235 H236 V237 | F216-W233 HydrophobicContact CB-CH2 4.22Å; F216-W233 HydrophobicContact CB-CZ2 3.61Å; F216-W233 HydrophobicContact CD1-CH2 4.41Å; F216-W233 HydrophobicContact CD1-CZ2 4.04Å; F216-W233 AromaticContact CD2-CH2 3.36Å; F216-W233 HydrophobicContact CD2-CH2 3.36Å; F216-W233 AromaticContact CD2-CZ2 3.63Å; F216-W233 HydrophobicContact CD2-CZ2 3.63Å; F216-W233 HydrophobicContact CD2-CZ3 4.36Å; F216-W233 AromaticContact CE2-CH2 3.71Å; F216-W233 HydrophobicContact CE2-CH2 3.71Å; F216-W233 HydrophobicContact CE2-CZ2 4.28Å; F216-W233 HydrophobicContact CE2-CZ3 4.31Å; F216-W233 AromaticContact CG-CH2 3.75Å; F216-W233 HydrophobicContact CG-CH2 3.75Å; F216-W233 AromaticContact CG-CZ2 3.48Å; F216-W233 HydrophobicContact CG-CZ2 3.48Å; F216-W233 VanDerWaalsContact CG-CZ2 3.48Å; F216-W233 HydrophobicContact CZ-CH2 4.37Å; I218-W233 HydrophobicContact CG2-CH2 3.98Å; K229-W233 HydrophobicContact CD-CZ2 4.39Å; K229-W233 PolarHBondContact O-N 3.04Å; V230-W233 PolarHBondContact O-N 3.16Å; K231-W233 PolarHBondContact O-N 2.99Å; W233-E235 VanDerWaalsContact C-N 3.34Å; W233-E235 PolarHBondContact O-N 2.97Å; W233-H236 PolarHBondContact O-N 3.36Å; W233-V237 WeakPolarHBondContact O-CB 3.39Å; W233-V237 VanDerWaalsContact O-CG2 3.28Å; W233-V237 WeakPolarHBondContact O-CG2 3.41Å; W233-V237 PolarHBondContact O-N 2.94Å |
| 234 | Y | 95.8 | Very high | 94.7 | Very high | 163 Ų | 163 | 101.4 Ų | 101.4 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | 175.8 | 178.4 | -98.3 | 0 | 0 | 0 | 111.6 | V230 K231 S232 V237 K238 | V230-Y234 WeakPolarHBondContact O-CB 3.49Å; V230-Y234 PolarHBondContact O-N 3.3Å; K231-Y234 PolarHBondContact O-N 2.82Å; S232-Y234 PolarHBondContact O-N 2.85Å; Y234-V237 PolarHBondContact O-N 3.34Å; Y234-K238 WeakPolarHBondContact O-CB 3.4Å; Y234-K238 PolarHBondContact O-N 2.86Å |
| 235 | E | 96.2 | Very high | 94.8 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 174.7 | -71.2 | -177.3 | 177.9 | 0 | 0 | 112.3 | K231 S232 W233 K238 Q239 | K231-E235 PolarHBondContact O-N 3.5Å; S232-E235 PolarHBondContact O-N 3.4Å; W233-E235 VanDerWaalsContact C-N 3.34Å; W233-E235 PolarHBondContact O-N 2.97Å; E235-K238 PolarHBondContact O-N 3.26Å; E235-Q239 WeakPolarHBondContact O-CG 3.14Å; E235-Q239 PolarHBondContact O-N 2.72Å |
| 236 | H | 94.1 | Very high | 95 | Very high | 67 Ų | 67 | 100.5 Ų | 100.5 | 31% | 0.31 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 177.3 | -170.4 | 58 | 0 | 0 | 0 | 112.1 | Q212 S232 W233 K238 Q239 L240 | Q212-H236 PolarHBondContact O-NE2 3.05Å; S232-H236 WeakPolarHBondContact O-CB 3.3Å; S232-H236 PolarHBondContact O-N 3.44Å; W233-H236 PolarHBondContact O-N 3.36Å; H236-K238 VanDerWaalsContact C-N 3.34Å; H236-K238 PolarHBondContact O-N 2.92Å; H236-Q239 WeakPolarHBondContact O-CB 3.34Å; H236-Q239 PolarHBondContact O-N 3.48Å; H236-L240 WeakPolarHBondContact O-CG 3.23Å; H236-L240 PolarHBondContact O-N 3.49Å |
| 237 | V | 94.6 | Very high | 95.1 | Very high | 73 Ų | 73 | 104.7 Ų | 104.7 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | W233 Y234 Q239 L240 E241 | W233-V237 WeakPolarHBondContact O-CB 3.39Å; W233-V237 VanDerWaalsContact O-CG2 3.28Å; W233-V237 WeakPolarHBondContact O-CG2 3.41Å; W233-V237 PolarHBondContact O-N 2.94Å; Y234-V237 PolarHBondContact O-N 3.34Å; V237-Q239 VanDerWaalsContact C-N 3.29Å; V237-Q239 PolarHBondContact O-N 3.34Å; V237-L240 PolarHBondContact O-N 3.02Å; V237-L240 VanDerWaalsContact O-N 3.15Å; V237-E241 HydrophobicContact CG1-CG 4.33Å; V237-E241 WeakPolarHBondContact O-CG 3.49Å; V237-E241 PolarHBondContact O-N 3.2Å |
| 238 | K | 96.5 | Very high | 95.2 | Very high | 138 Ų | 138 | 103.9 Ų | 103.9 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.2 | -40.8 | 176.1 | -177.3 | -178.9 | 177 | -177.5 | 0 | 112.2 | Y234 E235 H236 S242 | Y234-K238 WeakPolarHBondContact O-CB 3.4Å; Y234-K238 PolarHBondContact O-N 2.86Å; E235-K238 PolarHBondContact O-N 3.26Å; H236-K238 VanDerWaalsContact C-N 3.34Å; H236-K238 PolarHBondContact O-N 2.92Å; K238-S242 PolarHBondContact O-N 3.1Å; K238-S242 VanDerWaalsContact O-N 3.16Å |
| 239 | Q | 96.1 | Very high | 95.4 | Very high | 112 Ų | 112 | 99.9 Ų | 99.9 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 175.1 | -69.4 | 174.4 | 19.2 | 0 | 0 | 111.8 | E235 H236 V237 E241 S242 Q243 | E235-Q239 WeakPolarHBondContact O-CG 3.14Å; E235-Q239 PolarHBondContact O-N 2.72Å; H236-Q239 WeakPolarHBondContact O-CB 3.34Å; H236-Q239 PolarHBondContact O-N 3.48Å; V237-Q239 VanDerWaalsContact C-N 3.29Å; V237-Q239 PolarHBondContact O-N 3.34Å; Q239-E241 VanDerWaalsContact C-N 3.35Å; Q239-E241 PolarHBondContact O-N 3.49Å; Q239-S242 WeakPolarHBondContact O-CB 3.47Å; Q239-S242 PolarHBondContact O-N 2.84Å; Q239-Q243 WeakPolarHBondContact O-CG 3.19Å; Q239-Q243 PolarHBondContact O-N 3.07Å |
| 240 | L | 94.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 101.4 Ų | 101.4 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 177.4 | -71 | 174.8 | 0 | 0 | 0 | 112.4 | H236 V237 Q243 K244 | H236-L240 WeakPolarHBondContact O-CG 3.23Å; H236-L240 PolarHBondContact O-N 3.49Å; V237-L240 PolarHBondContact O-N 3.02Å; V237-L240 VanDerWaalsContact O-N 3.15Å; L240-Q243 PolarHBondContact O-N 2.77Å; L240-K244 WeakPolarHBondContact O-CB 3.2Å; L240-K244 PolarHBondContact O-N 3Å |
| 241 | E | 95.7 | Very high | 95.7 | Very high | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 174.5 | -75.9 | -175.2 | 164.4 | 0 | 0 | 111.8 | V237 Q239 K244 Y245 | V237-E241 HydrophobicContact CG1-CG 4.33Å; V237-E241 WeakPolarHBondContact O-CG 3.49Å; V237-E241 PolarHBondContact O-N 3.2Å; Q239-E241 VanDerWaalsContact C-N 3.35Å; Q239-E241 PolarHBondContact O-N 3.49Å; E241-K244 PolarHBondContact O-N 3.37Å; E241-Y245 PolarHBondContact O-N 2.87Å |
| 242 | S | 95.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 101.8 Ų | 101.8 | 47% | 0.469 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 173.7 | -171 | 0 | 0 | 0 | 0 | 111.6 | K238 Q239 K244 Y245 E246 | K238-S242 PolarHBondContact O-N 3.1Å; K238-S242 VanDerWaalsContact O-N 3.16Å; Q239-S242 WeakPolarHBondContact O-CB 3.47Å; Q239-S242 PolarHBondContact O-N 2.84Å; S242-K244 PolarHBondContact O-N 3.26Å; S242-Y245 WeakPolarHBondContact O-CB 3.42Å; S242-Y245 PolarHBondContact O-N 3.43Å; S242-E246 PolarHBondContact O-N 2.91Å |
| 243 | Q | 95.5 | Very high | 95.9 | Very high | 87 Ų | 87 | 105.3 Ų | 105.3 | 41% | 0.407 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 177.8 | -70.3 | 177.8 | 15.5 | 0 | 0 | 112.1 | Q239 L240 Y245 E246 W247 | Q239-Q243 WeakPolarHBondContact O-CG 3.19Å; Q239-Q243 PolarHBondContact O-N 3.07Å; L240-Q243 PolarHBondContact O-N 2.77Å; Q243-Y245 VanDerWaalsContact C-N 3.32Å; Q243-Y245 PolarHBondContact O-N 3.45Å; Q243-E246 PolarHBondContact O-N 2.87Å; Q243-W247 PolarHBondContact O-N 3.08Å |
| 244 | K | 95.5 | Very high | 96 | Very high | 129 Ų | 129 | 106.1 Ų | 106.1 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.4 | -47.6 | 174.6 | 176.6 | -173.4 | 166.4 | -170.1 | 0 | 110.4 | L240 E241 S242 E246 W247 E248 | L240-K244 WeakPolarHBondContact O-CB 3.2Å; L240-K244 PolarHBondContact O-N 3Å; E241-K244 PolarHBondContact O-N 3.37Å; S242-K244 PolarHBondContact O-N 3.26Å; K244-E246 PolarHBondContact O-N 3.48Å; K244-W247 PolarHBondContact O-N 2.85Å; K244-E248 WeakPolarHBondContact CE-OE1 3.33Å; K244-E248 IonicContact NZ-OE1 3.71Å; K244-E248 WeakPolarHBondContact O-CG 3.46Å; K244-E248 PolarHBondContact O-N 3.24Å |
| 245 | Y | 96.7 | Very high | 96 | Very high | 133 Ų | 133 | 102.6 Ų | 102.6 | 52% | 0.522 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 176.8 | 178.7 | -100.6 | 0 | 0 | 0 | 111.8 | E241 S242 Q243 W247 E248 Q249 | E241-Y245 PolarHBondContact O-N 2.87Å; S242-Y245 WeakPolarHBondContact O-CB 3.42Å; S242-Y245 PolarHBondContact O-N 3.43Å; Q243-Y245 VanDerWaalsContact C-N 3.32Å; Q243-Y245 PolarHBondContact O-N 3.45Å; Y245-W247 VanDerWaalsContact C-N 3.29Å; Y245-W247 PolarHBondContact O-N 2.96Å; Y245-E248 PolarHBondContact O-N 2.84Å; Y245-Q249 HydrophobicContact CD1-CG 4.18Å; Y245-Q249 HydrophobicContact CD2-CG 4.43Å; Y245-Q249 HydrophobicContact CE1-CG 3.74Å; Y245-Q249 HydrophobicContact CE2-CG 4.03Å; Y245-Q249 VanDerWaalsContact O-CG 3.29Å; Y245-Q249 WeakPolarHBondContact O-CG 3.49Å; Y245-Q249 PolarHBondContact O-N 3.13Å |
| 246 | E | 96.9 | Very high | 96 | Very high | 89 Ų | 89 | 102.6 Ų | 102.6 | 42% | 0.416 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.6 | -42.9 | 175.2 | -73.4 | -177.8 | -151.6 | 0 | 0 | 112.7 | S242 Q243 K244 Q249 R250 | S242-E246 PolarHBondContact O-N 2.91Å; Q243-E246 PolarHBondContact O-N 2.87Å; K244-E246 PolarHBondContact O-N 3.48Å; E246-Q249 PolarHBondContact O-N 3.45Å; E246-R250 WeakPolarHBondContact O-CG 3.44Å; E246-R250 PolarHBondContact O-N 3.1Å; E246-R250 IonicContact OE2-NH2 3.15Å; E246-R250 PolarHBondContact OE2-NH2 2.87Å; E246-R250 VanDerWaalsContact OE2-NH2 3.15Å |
| 247 | W | 96.4 | Very high | 96.1 | Very high | 150 Ų | 150 | 105 Ų | 105 | 57% | 0.568 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 177.3 | -77.5 | 118.9 | 0 | 0 | 0 | 112.6 | Q243 K244 Y245 Q249 R250 L251 | Q243-W247 PolarHBondContact O-N 3.08Å; K244-W247 PolarHBondContact O-N 2.85Å; Y245-W247 VanDerWaalsContact C-N 3.29Å; Y245-W247 PolarHBondContact O-N 2.96Å; W247-Q249 VanDerWaalsContact C-N 3.28Å; W247-Q249 PolarHBondContact O-N 3.48Å; W247-R250 PolarHBondContact O-N 3.48Å; W247-L251 WeakPolarHBondContact O-CG 3.38Å; W247-L251 PolarHBondContact O-N 3.36Å |
| 248 | E | 96.1 | Very high | 96.1 | Very high | 75 Ų | 75 | 106.2 Ų | 106.2 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 175 | -73 | 177.2 | 176.6 | 0 | 0 | 111.6 | K244 Y245 L251 R252 | K244-E248 WeakPolarHBondContact CE-OE1 3.33Å; K244-E248 IonicContact NZ-OE1 3.71Å; K244-E248 WeakPolarHBondContact O-CG 3.46Å; K244-E248 PolarHBondContact O-N 3.24Å; Y245-E248 PolarHBondContact O-N 2.84Å; E248-L251 PolarHBondContact O-N 3.38Å; E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 2.91Å |
| 249 | Q | 97.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 104.1 Ų | 104.1 | 28% | 0.28 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.3 | -35.9 | 177.1 | -64.8 | -60.8 | 93.1 | 0 | 0 | 112.5 | Y245 E246 W247 K253 | Y245-Q249 HydrophobicContact CD1-CG 4.18Å; Y245-Q249 HydrophobicContact CD2-CG 4.43Å; Y245-Q249 HydrophobicContact CE1-CG 3.74Å; Y245-Q249 HydrophobicContact CE2-CG 4.03Å; Y245-Q249 VanDerWaalsContact O-CG 3.29Å; Y245-Q249 WeakPolarHBondContact O-CG 3.49Å; Y245-Q249 PolarHBondContact O-N 3.13Å; E246-Q249 PolarHBondContact O-N 3.45Å; W247-Q249 VanDerWaalsContact C-N 3.28Å; W247-Q249 PolarHBondContact O-N 3.48Å; Q249-K253 WeakPolarHBondContact O-CG 3.45Å; Q249-K253 PolarHBondContact O-N 3.04Å |
| 250 | R | 97.1 | Very high | 95.7 | Very high | 102 Ų | 102 | 103.6 Ų | 103.6 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 173.5 | -71.6 | 177.6 | -162.8 | 163.6 | 11.1 | 111.5 | E246 W247 R252 K253 Q254 | E246-R250 WeakPolarHBondContact O-CG 3.44Å; E246-R250 PolarHBondContact O-N 3.1Å; E246-R250 IonicContact OE2-NH2 3.15Å; E246-R250 PolarHBondContact OE2-NH2 2.87Å; E246-R250 VanDerWaalsContact OE2-NH2 3.15Å; W247-R250 PolarHBondContact O-N 3.48Å; R250-R252 PolarHBondContact O-N 3.13Å; R250-K253 PolarHBondContact O-N 3.09Å; R250-Q254 WeakPolarHBondContact O-CG 3.18Å; R250-Q254 PolarHBondContact O-N 3.25Å |
| 251 | L | 96.2 | Very high | 95.6 | Very high | 91 Ų | 91 | 105.3 Ų | 105.3 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 177.2 | -74.2 | 170.6 | 0 | 0 | 0 | 111.3 | W247 E248 K253 Q254 D255 | W247-L251 WeakPolarHBondContact O-CG 3.38Å; W247-L251 PolarHBondContact O-N 3.36Å; E248-L251 PolarHBondContact O-N 3.38Å; L251-K253 PolarHBondContact O-N 3.2Å; L251-Q254 PolarHBondContact O-N 3Å; L251-Q254 VanDerWaalsContact O-N 3.15Å; L251-D255 PolarHBondContact O-N 3.2Å |
| 252 | R | 95.8 | Very high | 95.3 | Very high | 137 Ų | 137 | 102 Ų | 102 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 175.6 | -76.6 | 176.1 | -178 | 164.9 | -0.8 | 112.8 | E248 R250 Q254 D255 E256 | E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 2.91Å; R250-R252 PolarHBondContact O-N 3.13Å; R252-Q254 VanDerWaalsContact C-N 3.32Å; R252-Q254 PolarHBondContact O-N 3.21Å; R252-D255 PolarHBondContact O-N 2.74Å; R252-E256 WeakPolarHBondContact O-CG 3.36Å; R252-E256 PolarHBondContact O-N 3.12Å |
| 253 | K | 97.2 | Very high | 94.9 | Very high | 145 Ų | 145 | 100.7 Ų | 100.7 | 63% | 0.63 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 177.4 | -71.3 | 178.6 | 179.3 | -174.6 | 0 | 112.2 | Q249 R250 L251 E256 E257 | Q249-K253 WeakPolarHBondContact O-CG 3.45Å; Q249-K253 PolarHBondContact O-N 3.04Å; R250-K253 PolarHBondContact O-N 3.09Å; L251-K253 PolarHBondContact O-N 3.2Å; K253-E256 PolarHBondContact O-N 3.02Å; K253-E257 WeakPolarHBondContact O-CB 3.39Å; K253-E257 PolarHBondContact O-N 3.05Å |
| 254 | Q | 96.6 | Very high | 94.6 | Very high | 105 Ų | 105 | 102 Ų | 102 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.6 | -70.7 | 178.4 | -45.2 | 0 | 0 | 111.8 | R250 L251 R252 E257 I258 | R250-Q254 WeakPolarHBondContact O-CG 3.18Å; R250-Q254 PolarHBondContact O-N 3.25Å; L251-Q254 PolarHBondContact O-N 3Å; L251-Q254 VanDerWaalsContact O-N 3.15Å; R252-Q254 VanDerWaalsContact C-N 3.32Å; R252-Q254 PolarHBondContact O-N 3.21Å; Q254-E257 PolarHBondContact O-N 2.94Å; Q254-I258 WeakPolarHBondContact O-CB 3.27Å; Q254-I258 VanDerWaalsContact O-CG1 3.27Å; Q254-I258 WeakPolarHBondContact O-CG1 3.37Å; Q254-I258 PolarHBondContact O-N 3.35Å |
| 255 | D | 95 | Very high | 94.3 | Very high | 90 Ų | 90 | 101.2 Ų | 101.2 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 176 | -72.8 | -27.6 | 0 | 0 | 0 | 111.5 | L251 R252 I258 N259 | L251-D255 PolarHBondContact O-N 3.2Å; R252-D255 PolarHBondContact O-N 2.74Å; D255-I258 PolarHBondContact O-N 3.18Å; D255-N259 WeakPolarHBondContact O-CB 3.36Å; D255-N259 PolarHBondContact O-N 3.07Å; D255-N259 PolarHBondContact O-ND2 2.88Å |
| 256 | E | 96.1 | Very high | 93.8 | Very high | 119 Ų | 119 | 96.1 Ų | 96.1 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.7 | -49.5 | 173.1 | -74.1 | 167.9 | -174.2 | 0 | 0 | 111.3 | R252 K253 I258 N259 D260 | R252-E256 WeakPolarHBondContact O-CG 3.36Å; R252-E256 PolarHBondContact O-N 3.12Å; K253-E256 PolarHBondContact O-N 3.02Å; E256-I258 PolarHBondContact O-N 3.48Å; E256-N259 PolarHBondContact O-N 3.39Å; E256-D260 PolarHBondContact O-N 3.43Å |
| 257 | E | 96.5 | Very high | 93.3 | Very high | 119 Ų | 119 | 96.2 Ų | 96.2 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.3 | -44.7 | 177.1 | -176 | 179.2 | -175.8 | 0 | 0 | 112.2 | K253 Q254 N259 D260 L261 | K253-E257 WeakPolarHBondContact O-CB 3.39Å; K253-E257 PolarHBondContact O-N 3.05Å; Q254-E257 PolarHBondContact O-N 2.94Å; E257-N259 VanDerWaalsContact C-N 3.33Å; E257-N259 PolarHBondContact O-N 2.87Å; E257-D260 PolarHBondContact O-N 3.43Å; E257-L261 HydrophobicContact CG-CD1 4.01Å; E257-L261 HydrophobicContact CG-CG 4.48Å; E257-L261 WeakPolarHBondContact O-CB 3.46Å; E257-L261 VanDerWaalsContact O-CG 3.26Å; E257-L261 WeakPolarHBondContact O-CG 3.41Å; E257-L261 PolarHBondContact O-N 3.01Å |
| 258 | I | 93.9 | Very high | 92.8 | Very high | 97 Ų | 97 | 95.9 Ų | 95.9 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.4 | -71.7 | 167.2 | 0 | 0 | 0 | 110.8 | Q254 D255 E256 T262 | Q254-I258 WeakPolarHBondContact O-CB 3.27Å; Q254-I258 VanDerWaalsContact O-CG1 3.27Å; Q254-I258 WeakPolarHBondContact O-CG1 3.37Å; Q254-I258 PolarHBondContact O-N 3.35Å; D255-I258 PolarHBondContact O-N 3.18Å; E256-I258 PolarHBondContact O-N 3.48Å; I258-T262 WeakPolarHBondContact O-CB 3.37Å; I258-T262 PolarHBondContact O-N 2.9Å; I258-T262 PolarHBondContact O-OG1 3.33Å |
| 259 | N | 90.9 | Very high | 92.2 | Very high | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 179.2 | -74.2 | -32.6 | 0 | 0 | 0 | 111.5 | D255 E256 E257 T262 A263 | D255-N259 WeakPolarHBondContact O-CB 3.36Å; D255-N259 PolarHBondContact O-N 3.07Å; D255-N259 PolarHBondContact O-ND2 2.88Å; E256-N259 PolarHBondContact O-N 3.39Å; E257-N259 VanDerWaalsContact C-N 3.33Å; E257-N259 PolarHBondContact O-N 2.87Å; N259-T262 PolarHBondContact O-N 3.05Å; N259-A263 WeakPolarHBondContact O-CB 3.49Å; N259-A263 PolarHBondContact O-N 2.98Å |
| 260 | D | 93.4 | Very high | 91.4 | Very high | 101 Ų | 101 | 99.6 Ų | 99.6 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 178 | -75.5 | -12.2 | 0 | 0 | 0 | 111.4 | E256 E257 T262 A263 Q264 | E256-D260 PolarHBondContact O-N 3.43Å; E257-D260 PolarHBondContact O-N 3.43Å; D260-T262 VanDerWaalsContact C-N 3.32Å; D260-T262 PolarHBondContact O-N 3.09Å; D260-A263 PolarHBondContact O-N 3.41Å; D260-Q264 WeakPolarHBondContact O-CG 3.23Å; D260-Q264 PolarHBondContact O-N 3.34Å |
| 261 | L | 92.6 | Very high | 90.4 | Very high | 93 Ų | 93 | 99.8 Ų | 99.8 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 176.5 | -70 | 174.5 | 0 | 0 | 0 | 111.8 | E257 Q264 L265 | E257-L261 HydrophobicContact CG-CD1 4.01Å; E257-L261 HydrophobicContact CG-CG 4.48Å; E257-L261 WeakPolarHBondContact O-CB 3.46Å; E257-L261 VanDerWaalsContact O-CG 3.26Å; E257-L261 WeakPolarHBondContact O-CG 3.41Å; E257-L261 PolarHBondContact O-N 3.01Å; L261-Q264 PolarHBondContact O-N 3.35Å; L261-L265 WeakPolarHBondContact O-CB 2.89Å; L261-L265 PolarHBondContact O-N 2.82Å |
| 262 | T | 89.6 | Confident | 89.2 | Confident | 58 Ų | 58 | 103.6 Ų | 103.6 | 36% | 0.356 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | I258 N259 D260 L265 C266 | I258-T262 WeakPolarHBondContact O-CB 3.37Å; I258-T262 PolarHBondContact O-N 2.9Å; I258-T262 PolarHBondContact O-OG1 3.33Å; N259-T262 PolarHBondContact O-N 3.05Å; D260-T262 VanDerWaalsContact C-N 3.32Å; D260-T262 PolarHBondContact O-N 3.09Å; T262-L265 PolarHBondContact O-N 2.79Å; T262-C266 WeakPolarHBondContact O-CB 3.49Å; T262-C266 PolarHBondContact O-N 3.12Å |
| 263 | A | 87.3 | Confident | 88 | Confident | 39 Ų | 39 | 101.6 Ų | 101.6 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | N259 D260 C266 S267 | N259-A263 WeakPolarHBondContact O-CB 3.49Å; N259-A263 PolarHBondContact O-N 2.98Å; D260-A263 PolarHBondContact O-N 3.41Å; A263-C266 WeakPolarHBondContact O-CB 3.33Å; A263-C266 PolarHBondContact O-N 3.07Å; A263-S267 PolarHBondContact O-N 3.44Å |
| 264 | Q | 90.4 | Very high | 86.8 | Confident | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.1 | -69 | 174.7 | 38.1 | 0 | 0 | 112 | D260 L261 C266 S267 I268 | D260-Q264 WeakPolarHBondContact O-CG 3.23Å; D260-Q264 PolarHBondContact O-N 3.34Å; L261-Q264 PolarHBondContact O-N 3.35Å; Q264-C266 VanDerWaalsContact C-N 3.32Å; Q264-C266 PolarHBondContact O-N 3Å; Q264-S267 PolarHBondContact O-N 2.72Å; Q264-S267 PolarHBondContact O-OG 2.84Å; Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 VanDerWaalsContact O-CG1 3.3Å; Q264-I268 WeakPolarHBondContact O-CG1 3.42Å; Q264-I268 PolarHBondContact O-N 3.37Å |
| 265 | L | 88.1 | Confident | 85.8 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 176.8 | -177.6 | 64.5 | 0 | 0 | 0 | 111.9 | L261 T262 K269 | L261-L265 WeakPolarHBondContact O-CB 2.89Å; L261-L265 PolarHBondContact O-N 2.82Å; T262-L265 PolarHBondContact O-N 2.79Å; L265-K269 WeakPolarHBondContact O-CB 3.46Å; L265-K269 PolarHBondContact O-N 3.45Å; L265-K269 VanDerWaalsContact O-N 3.09Å |
| 266 | C | 86.5 | Confident | 84.9 | Confident | 26 Ų | 26 | 105.8 Ų | 105.8 | 18% | 0.176 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -63.4 | -45 | 177 | -88.7 | 0 | 0 | 0 | 0 | 112.5 | T262 A263 Q264 I268 K269 G270 H271 | T262-C266 WeakPolarHBondContact O-CB 3.49Å; T262-C266 PolarHBondContact O-N 3.12Å; A263-C266 WeakPolarHBondContact O-CB 3.33Å; A263-C266 PolarHBondContact O-N 3.07Å; Q264-C266 VanDerWaalsContact C-N 3.32Å; Q264-C266 PolarHBondContact O-N 3Å; C266-I268 PolarHBondContact O-N 2.92Å; C266-K269 PolarHBondContact O-N 3.26Å; C266-G270 PolarHBondContact O-N 3.37Å; C266-G270 VanDerWaalsContact O-N 3.12Å; C266-H271 WeakPolarHBondContact CB-O 3.44Å; C266-H271 PolarHBondContact O-N 3.21Å; C266-H271 PolarHBondContact SG-O 2.72Å; C266-H271 VanDerWaalsContact SG-O 3.34Å |
| 267 | S | 85.6 | Confident | 84 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.1 | -39.4 | 179.5 | 69 | 0 | 0 | 0 | 0 | 112 | A263 Q264 G270 | A263-S267 PolarHBondContact O-N 3.44Å; Q264-S267 PolarHBondContact O-N 2.72Å; Q264-S267 PolarHBondContact O-OG 2.84Å; S267-G270 PolarHBondContact O-N 3.41Å |
| 268 | I | 87.2 | Confident | 83.2 | Confident | 142 Ų | 142 | 112.6 Ų | 112.6 | 73% | 0.728 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.7 | -44.8 | 177.3 | -65.4 | 165.2 | 0 | 0 | 0 | 111.6 | Q264 C266 G270 | Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 VanDerWaalsContact O-CG1 3.3Å; Q264-I268 WeakPolarHBondContact O-CG1 3.42Å; Q264-I268 PolarHBondContact O-N 3.37Å; C266-I268 PolarHBondContact O-N 2.92Å; I268-G270 PolarHBondContact O-N 2.78Å |
| 269 | K | 84 | Confident | 82.4 | Confident | 145 Ų | 145 | 118 Ų | 118 | 63% | 0.63 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78 | -6.8 | -176.4 | -168.8 | 167.5 | -178.7 | 168.9 | 0 | 113.2 | L265 C266 H271 | L265-K269 WeakPolarHBondContact O-CB 3.46Å; L265-K269 PolarHBondContact O-N 3.45Å; L265-K269 VanDerWaalsContact O-N 3.09Å; C266-K269 PolarHBondContact O-N 3.26Å; K269-H271 HydrophobicContact CB-CB 4.25Å; K269-H271 HydrophobicContact CD-CB 4.5Å; K269-H271 HydrophobicContact CG-CB 4.25Å; K269-H271 PolarHBondContact O-N 3.03Å |
| 270 | G | 80.3 | Confident | 80.7 | Confident | 68 Ų | 68 | 119.3 Ų | 119.3 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.5 | 18.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C266 S267 I268 | C266-G270 PolarHBondContact O-N 3.37Å; C266-G270 VanDerWaalsContact O-N 3.12Å; S267-G270 PolarHBondContact O-N 3.41Å; I268-G270 PolarHBondContact O-N 2.78Å |
| 271 | H | 75.2 | Confident | 79.4 | Confident | 107 Ų | 107 | 118.6 Ų | 118.6 | 50% | 0.495 | 62% | 0.623 | S | S | . | * | trans | -89.2 | 115 | -179.5 | -108.8 | 56 | 0 | 0 | 0 | 108.9 | C266 K269 Q273 | C266-H271 WeakPolarHBondContact CB-O 3.44Å; C266-H271 PolarHBondContact O-N 3.21Å; C266-H271 PolarHBondContact SG-O 2.72Å; C266-H271 VanDerWaalsContact SG-O 3.34Å; K269-H271 HydrophobicContact CB-CB 4.25Å; K269-H271 HydrophobicContact CD-CB 4.5Å; K269-H271 HydrophobicContact CG-CB 4.25Å; K269-H271 PolarHBondContact O-N 3.03Å; H271-Q273 PolarHBondContact O-N 3.1Å | ||
| 272 | F | 71.3 | Confident | 77.9 | Confident | 171 Ų | 171 | 122.5 Ų | 122.5 | 75% | 0.75 | 64% | 0.636 | S | S | * | * | trans | -57.4 | 130 | 169.9 | -174.6 | -103.5 | 0 | 0 | 0 | 110.1 | K274 | F272-K274 PolarHBondContact O-N 2.94Š| ||
| 273 | Q | 69.9 | Low | 76.1 | Confident | 94 Ų | 94 | 125.9 Ų | 125.9 | 44% | 0.439 | 66% | 0.659 | S | S | . | * | trans | -63.7 | 104.7 | 178 | -138.8 | 161.2 | 7.4 | 0 | 0 | 107.7 | H271 P275 | H271-Q273 PolarHBondContact O-N 3.1Å; Q273-P275 VanDerWaalsContact O-CD 3.28Å; Q273-P275 WeakPolarHBondContact O-CD 3.3Å | ||
| 274 | K | 73.1 | Confident | 74.3 | Confident | 175 Ų | 175 | 127.4 Ų | 127.4 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | trans | -69.3 | 118.2 | -178.5 | -70.4 | -176.2 | -179.4 | -179.9 | 0 | 108.4 | F272 I276 | F272-K274 PolarHBondContact O-N 2.94Å; K274-I276 PolarHBondContact O-N 3.21Å | ||
| 275 | P | 75.9 | Confident | 72.9 | Confident | 94 Ų | 94 | 124.5 Ų | 124.5 | 61% | 0.61 | 65% | 0.653 | S | S | * | * | trans | -61.6 | 140.2 | 176 | 25.2 | -32.9 | 0 | 0 | 0 | 109.8 | Q273 L277 | Q273-P275 VanDerWaalsContact O-CD 3.28Å; Q273-P275 WeakPolarHBondContact O-CD 3.3Å; P275-L277 PolarHBondContact O-N 3.34Å | ||
| 276 | I | 75.9 | Confident | 71.5 | Confident | 160 Ų | 160 | 124.1 Ų | 124.1 | 82% | 0.821 | 66% | 0.655 | S | S | * | * | trans | -71.5 | 100.7 | 176.5 | -57.9 | 169.9 | 0 | 0 | 0 | 107.9 | K274 R278 | K274-I276 PolarHBondContact O-N 3.21Å; I276-R278 PolarHBondContact O-N 3.48Å | ||
| 277 | L | 76.7 | Confident | 70.2 | Confident | 160 Ų | 160 | 127.7 Ų | 127.7 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | trans | -74.8 | 106.8 | 174.6 | -65 | 178.4 | 0 | 0 | 0 | 109.5 | P275 | P275-L277 PolarHBondContact O-N 3.34Š| ||
| 278 | R | 79 | Confident | 69.2 | Low | 220 Ų | 220 | 131.7 Ų | 131.7 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | trans | -71.8 | 143.8 | 167.9 | -65.3 | -174.4 | 178.9 | 164 | 0.9 | 109.2 | I276 V280 | I276-R278 PolarHBondContact O-N 3.48Å; R278-V280 VanDerWaalsContact C-N 3.32Å; R278-V280 PolarHBondContact O-N 3.21Å | ||
| 279 | K | 78.4 | Confident | 68.1 | Low | 210 Ų | 210 | 128.8 Ų | 128.8 | 91% | 0.913 | 66% | 0.659 | S | S | * | * | trans | -65.8 | 93.1 | 173.7 | -172.4 | 174.4 | -178 | 179.6 | 0 | 108.8 | ||||
| 280 | V | 54.8 | Low | 67.2 | Low | 124 Ų | 124 | 130.3 Ų | 130.3 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -71 | 128.7 | 167.2 | -166.5 | 0 | 0 | 0 | 0 | 106.4 | R278 K282 | R278-V280 VanDerWaalsContact C-N 3.32Å; R278-V280 PolarHBondContact O-N 3.21Å; V280-K282 PolarHBondContact O-N 2.78Å; V280-K282 VanDerWaalsContact O-N 3.07Å |
| 281 | A | 65.5 | Low | 66.6 | Low | 85 Ų | 85 | 130.3 Ų | 130.3 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 119.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||
| 282 | K | 62.2 | Low | 66 | Low | 176 Ų | 176 | 129.2 Ų | 129.2 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -53 | 131.4 | 171 | -67.1 | 179.6 | 178.1 | 179.2 | 0 | 107 | V280 M284 | V280-K282 PolarHBondContact O-N 2.78Å; V280-K282 VanDerWaalsContact O-N 3.07Å; K282-M284 VanDerWaalsContact C-N 3.26Å; K282-M284 PolarHBondContact O-N 2.92Å |
| 283 | P | 50.6 | Low | 65.7 | Low | 129 Ų | 129 | 124.6 Ų | 124.6 | 84% | 0.838 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -59.8 | 100.5 | 166.3 | 24.9 | -30.6 | 0 | 0 | 0 | 106.6 | ||
| 284 | M | 48.9 | Very low | 65.5 | Low | 70 Ų | 70 | 124 Ų | 124 | 35% | 0.345 | 65% | 0.65 | S | S | . | * | S | Bend | trans | 62.2 | 105.5 | 178.4 | -57 | -76.7 | -84.5 | 0 | 0 | 115.7 | K282 R288 L289 M292 | K282-M284 VanDerWaalsContact C-N 3.26Å; K282-M284 PolarHBondContact O-N 2.92Å; M284-R288 HydrophobicContact SD-CB 4.46Å; M284-L289 HydrophobicContact CB-CD1 3.88Å; M284-L289 HydrophobicContact CB-CG 3.86Å; M284-L289 HydrophobicContact CE-CD2 3.9Å; M284-L289 HydrophobicContact CE-CG 3.93Å; M284-M292 HydrophobicContact CE-CE 4.37Å; M284-M292 HydrophobicContact CE-CG 4.34Å; M284-M292 HydrophobicContact CE-SD 3.18Å; M284-M292 WeakPolarHBondContact CE-SD 3.39Å; M284-M292 HydrophobicContact SD-SD 4.12Å |
| 285 | S | 61.2 | Low | 65 | Low | 54 Ų | 54 | 117.4 Ų | 117.4 | 38% | 0.378 | 63% | 0.629 | S | S | . | * | trans | -58.3 | 145.7 | 160.6 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | D287 R288 L289 | S285-D287 PolarHBondContact O-N 3.1Å; S285-D287 VanDerWaalsContact O-N 3.08Å; S285-D287 PolarHBondContact OG-N 2.88Å; S285-R288 WeakPolarHBondContact O-CA 3.49Å; S285-R288 WeakPolarHBondContact O-CB 3.21Å; S285-R288 PolarHBondContact O-N 3.2Å; S285-L289 PolarHBondContact O-N 2.93Å | ||
| 286 | T | 60.1 | Low | 64.4 | Low | 105 Ų | 105 | 118.6 Ų | 118.6 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -49.1 | -34 | 173.5 | 44.6 | 0 | 0 | 0 | 0 | 112.4 | L289 R290 | T286-L289 PolarHBondContact O-N 2.84Å; T286-R290 WeakPolarHBondContact O-CB 3.34Å; T286-R290 PolarHBondContact O-N 3.06Å |
| 287 | D | 59.6 | Low | 63.5 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 54% | 0.54 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.7 | -33.9 | 178.1 | -58.1 | -33.4 | 0 | 0 | 0 | 112.5 | S285 R290 A291 | S285-D287 PolarHBondContact O-N 3.1Å; S285-D287 VanDerWaalsContact O-N 3.08Å; S285-D287 PolarHBondContact OG-N 2.88Å; D287-R290 PolarHBondContact O-N 3.18Å; D287-A291 VanDerWaalsContact O-CB 3.3Å; D287-A291 WeakPolarHBondContact O-CB 3.48Å; D287-A291 PolarHBondContact O-N 3.32Å |
| 288 | R | 63.2 | Low | 62.4 | Low | 176 Ų | 176 | 112.1 Ų | 112.1 | 66% | 0.664 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.5 | -35.9 | 175.4 | -129.4 | -178.4 | -176.9 | -175.4 | 0.9 | 111.2 | M284 S285 M292 | M284-R288 HydrophobicContact SD-CB 4.46Å; S285-R288 WeakPolarHBondContact O-CA 3.49Å; S285-R288 WeakPolarHBondContact O-CB 3.21Å; S285-R288 PolarHBondContact O-N 3.2Å; R288-M292 WeakPolarHBondContact O-CB 3.22Å; R288-M292 VanDerWaalsContact O-CG 3.27Å; R288-M292 WeakPolarHBondContact O-CG 3.43Å; R288-M292 PolarHBondContact O-N 3.13Å |
| 289 | L | 63.6 | Low | 61.3 | Low | 80 Ų | 80 | 107.1 Ų | 107.1 | 42% | 0.419 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.1 | -42.2 | 169.7 | -85.3 | 156.6 | 0 | 0 | 0 | 111.7 | M284 S285 T286 M292 S293 | M284-L289 HydrophobicContact CB-CD1 3.88Å; M284-L289 HydrophobicContact CB-CG 3.86Å; M284-L289 HydrophobicContact CE-CD2 3.9Å; M284-L289 HydrophobicContact CE-CG 3.93Å; S285-L289 PolarHBondContact O-N 2.93Å; T286-L289 PolarHBondContact O-N 2.84Å; L289-M292 PolarHBondContact O-N 3.29Å; L289-S293 WeakPolarHBondContact O-CB 3.28Å; L289-S293 PolarHBondContact O-N 3.07Å; L289-S293 PolarHBondContact O-OG 2.93Å |
| 290 | R | 66.7 | Low | 60.2 | Low | 178 Ų | 178 | 100.8 Ų | 100.8 | 67% | 0.672 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.1 | -46 | 176.6 | -172.5 | 177.5 | -69.8 | 174.2 | -2.2 | 111.9 | T286 D287 M292 S293 A294 | T286-R290 WeakPolarHBondContact O-CB 3.34Å; T286-R290 PolarHBondContact O-N 3.06Å; D287-R290 PolarHBondContact O-N 3.18Å; R290-M292 VanDerWaalsContact C-N 3.34Å; R290-M292 PolarHBondContact O-N 3.15Å; R290-S293 WeakPolarHBondContact CA-OG 3.39Å; R290-S293 PolarHBondContact O-N 3.28Å; R290-S293 PolarHBondContact O-OG 3.22Å; R290-A294 PolarHBondContact O-N 2.93Å |
| 291 | A | 66.5 | Low | 60.1 | Low | 67 Ų | 67 | 105 Ų | 105 | 55% | 0.554 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -39 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D287 A294 A295 | D287-A291 VanDerWaalsContact O-CB 3.3Å; D287-A291 WeakPolarHBondContact O-CB 3.48Å; D287-A291 PolarHBondContact O-N 3.32Å; A291-A294 PolarHBondContact O-N 3.18Å; A291-A295 PolarHBondContact O-N 3.49Å |
| 292 | M | 63.5 | Low | 59.3 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 41% | 0.414 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.2 | -41.7 | 172.8 | -73 | -176.1 | 72.3 | 0 | 0 | 111.2 | M284 R288 L289 R290 A294 A295 F298 | M284-M292 HydrophobicContact CE-CE 4.37Å; M284-M292 HydrophobicContact CE-CG 4.34Å; M284-M292 HydrophobicContact CE-SD 3.18Å; M284-M292 WeakPolarHBondContact CE-SD 3.39Å; M284-M292 HydrophobicContact SD-SD 4.12Å; R288-M292 WeakPolarHBondContact O-CB 3.22Å; R288-M292 VanDerWaalsContact O-CG 3.27Å; R288-M292 WeakPolarHBondContact O-CG 3.43Å; R288-M292 PolarHBondContact O-N 3.13Å; L289-M292 PolarHBondContact O-N 3.29Å; R290-M292 VanDerWaalsContact C-N 3.34Å; R290-M292 PolarHBondContact O-N 3.15Å; M292-A294 PolarHBondContact O-N 3.22Å; M292-A295 VanDerWaalsContact O-CB 3.3Å; M292-A295 WeakPolarHBondContact O-CB 3.21Å; M292-A295 PolarHBondContact O-N 3.09Å; M292-F298 HydrophobicContact CB-CD2 3.65Å; M292-F298 HydrophobicContact CB-CE2 3.73Å; M292-F298 HydrophobicContact CB-CG 4.34Å; M292-F298 HydrophobicContact CB-CZ 4.48Å; M292-F298 HydrophobicContact CE-CD2 4.05Å; M292-F298 HydrophobicContact CE-CE2 3.99Å; M292-F298 WeakPolarHBondContact O-CB 3.42Å; M292-F298 VanDerWaalsContact O-CG 3.23Å; M292-F298 WeakPolarHBondContact O-CG 3.38Å |
| 293 | S | 64.1 | Low | 58.5 | Low | 74 Ų | 74 | 100.9 Ų | 100.9 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.2 | -23.1 | 177.1 | 71.9 | 0 | 0 | 0 | 0 | 114.9 | L289 R290 | L289-S293 WeakPolarHBondContact O-CB 3.28Å; L289-S293 PolarHBondContact O-N 3.07Å; L289-S293 PolarHBondContact O-OG 2.93Å; R290-S293 WeakPolarHBondContact CA-OG 3.39Å; R290-S293 PolarHBondContact O-N 3.28Å; R290-S293 PolarHBondContact O-OG 3.22Å |
| 294 | A | 65.8 | Low | 58.4 | Low | 81 Ų | 81 | 102.6 Ų | 102.6 | 67% | 0.669 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -11 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R290 A291 M292 | R290-A294 PolarHBondContact O-N 2.93Å; A291-A294 PolarHBondContact O-N 3.18Å; M292-A294 PolarHBondContact O-N 3.22Å |
| 295 | A | 62.4 | Low | 58.3 | Low | 38 Ų | 38 | 108.5 Ų | 108.5 | 31% | 0.314 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -74.3 | 130.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A291 M292 T297 F298 | A291-A295 PolarHBondContact O-N 3.49Å; M292-A295 VanDerWaalsContact O-CB 3.3Å; M292-A295 WeakPolarHBondContact O-CB 3.21Å; M292-A295 PolarHBondContact O-N 3.09Å; A295-T297 PolarHBondContact O-N 3.46Å; A295-F298 HydrophobicContact CB-CB 4.5Å; A295-F298 PolarHBondContact O-N 3.47Å; A295-F298 VanDerWaalsContact O-N 3.07Å |
| 296 | P | 63 | Low | 57.6 | Low | 119 Ų | 119 | 110.9 Ų | 110.9 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -1.7 | -175.3 | 25.7 | -33.1 | 0 | 0 | 0 | 114.2 | ||
| 297 | T | 57.9 | Low | 57.5 | Low | 115 Ų | 115 | 110 Ų | 110 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 5.1 | -179.6 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | A295 T299 | A295-T297 PolarHBondContact O-N 3.46Å; T297-T299 PolarHBondContact O-N 3.43Å; T297-T299 VanDerWaalsContact O-N 3.12Å |
| 298 | F | 54.3 | Low | 57.4 | Low | 68 Ų | 68 | 108 Ų | 108 | 30% | 0.298 | 61% | 0.607 | S | S | . | * | trans | -76.1 | 106 | 179.4 | 179.6 | -101.9 | 0 | 0 | 0 | 111.6 | M292 A295 P300 | M292-F298 HydrophobicContact CB-CD2 3.65Å; M292-F298 HydrophobicContact CB-CE2 3.73Å; M292-F298 HydrophobicContact CB-CG 4.34Å; M292-F298 HydrophobicContact CB-CZ 4.48Å; M292-F298 HydrophobicContact CE-CD2 4.05Å; M292-F298 HydrophobicContact CE-CE2 3.99Å; M292-F298 WeakPolarHBondContact O-CB 3.42Å; M292-F298 VanDerWaalsContact O-CG 3.23Å; M292-F298 WeakPolarHBondContact O-CG 3.38Å; A295-F298 HydrophobicContact CB-CB 4.5Å; A295-F298 PolarHBondContact O-N 3.47Å; A295-F298 VanDerWaalsContact O-N 3.07Å; F298-P300 HydrophobicContact CE1-CB 3.83Å; F298-P300 HydrophobicContact CE1-CG 4.36Å; F298-P300 HydrophobicContact CZ-CB 4.13Å | ||
| 299 | T | 55.6 | Low | 57 | Low | 115 Ų | 115 | 106 Ų | 106 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | -95 | 115.2 | 162.1 | 49.5 | 0 | 0 | 0 | 0 | 107.6 | T297 K301 | T297-T299 PolarHBondContact O-N 3.43Å; T297-T299 VanDerWaalsContact O-N 3.12Å; T299-K301 PolarHBondContact O-N 3.27Å; T299-K301 VanDerWaalsContact O-N 3.13Å | ||
| 300 | P | 53.9 | Low | 56.4 | Low | 77 Ų | 77 | 107.8 Ų | 107.8 | 50% | 0.5 | 61% | 0.613 | S | S | . | * | trans | -64.9 | 120 | 172.8 | 26.8 | -30.5 | 0 | 0 | 0 | 107 | F298 T302 | F298-P300 HydrophobicContact CE1-CB 3.83Å; F298-P300 HydrophobicContact CE1-CG 4.36Å; F298-P300 HydrophobicContact CZ-CB 4.13Å; P300-T302 HydrophobicContact CB-CG2 4.33Å; P300-T302 PolarHBondContact O-N 3.47Å | ||
| 301 | K | 54.5 | Low | 55.9 | Low | 212 Ų | 212 | 107.4 Ų | 107.4 | 92% | 0.922 | 62% | 0.616 | S | S | * | * | trans | -70.3 | 73.6 | 167 | -72.2 | -172.2 | 177.3 | -179.4 | 0 | 108.3 | T299 | T299-K301 PolarHBondContact O-N 3.27Å; T299-K301 VanDerWaalsContact O-N 3.13Å | ||
| 302 | T | 47.9 | Very low | 55.3 | Low | 96 Ų | 96 | 113 Ų | 113 | 59% | 0.589 | 62% | 0.623 | S | S | * | * | trans | -86.9 | 119.7 | 165.1 | 44.4 | 0 | 0 | 0 | 0 | 107.3 | P300 H304 | P300-T302 HydrophobicContact CB-CG2 4.33Å; P300-T302 PolarHBondContact O-N 3.47Å; T302-H304 PolarHBondContact O-N 3.06Å | ||
| 303 | G | 46.3 | Very low | 54.7 | Low | 80 Ų | 80 | 116.8 Ų | 116.8 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | trans | -69 | 29.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 304 | H | 47.6 | Very low | 54.1 | Low | 165 Ų | 165 | 120.1 Ų | 120.1 | 76% | 0.764 | 65% | 0.649 | S | S | * | * | trans | -117.6 | 109.3 | -177.5 | -64 | -55.4 | 0 | 0 | 0 | 109.8 | T302 N306 | T302-H304 PolarHBondContact O-N 3.06Å; H304-N306 PolarHBondContact O-N 2.95Å | ||
| 305 | K | 46.8 | Very low | 53.5 | Low | 194 Ų | 194 | 119.3 Ų | 119.3 | 84% | 0.843 | 64% | 0.638 | S | S | * | * | trans | -62.3 | 120.4 | 174.4 | -63.2 | -176 | -179.6 | -178.6 | 0 | 109 | ||||
| 306 | N | 47.4 | Very low | 53.1 | Low | 103 Ų | 103 | 123.8 Ų | 123.8 | 55% | 0.551 | 66% | 0.656 | S | S | * | * | trans | -75.8 | 120.4 | -179.8 | -157 | -1.4 | 0 | 0 | 0 | 109.6 | H304 A308 E309 | H304-N306 PolarHBondContact O-N 2.95Å; N306-A308 PolarHBondContact O-N 3.4Å; N306-A308 VanDerWaalsContact O-N 3.09Å; N306-E309 PolarHBondContact O-N 3.16Å | ||
| 307 | P | 56.3 | Low | 52.5 | Low | 87 Ų | 87 | 125.5 Ų | 125.5 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.3 | -15.7 | -173.5 | 23.8 | -33.8 | 0 | 0 | 0 | 114.3 | ||
| 308 | A | 57.7 | Low | 52.2 | Low | 59 Ų | 59 | 124.8 Ų | 124.8 | 49% | 0.488 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -73.1 | -29 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N306 | N306-A308 PolarHBondContact O-N 3.4Å; N306-A308 VanDerWaalsContact O-N 3.09Å |
| 309 | E | 54.3 | Low | 51.7 | Low | 133 Ų | 133 | 128.1 Ų | 128.1 | 62% | 0.621 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.5 | -30.2 | 175.2 | -92.7 | -176.2 | 142.8 | 0 | 0 | 112.4 | N306 K311 R312 K313 | N306-E309 PolarHBondContact O-N 3.16Å; E309-K311 VanDerWaalsContact C-N 3.29Å; E309-K311 PolarHBondContact O-N 3.3Å; E309-R312 PolarHBondContact O-N 3.42Å; E309-K313 PolarHBondContact O-N 3.5Å |
| 310 | M | 52.3 | Low | 51.3 | Low | 118 Ų | 118 | 132.2 Ų | 132.2 | 58% | 0.581 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -65.1 | -32.1 | 173.6 | -99.7 | 168.7 | 39.5 | 0 | 0 | 112.5 | L314 | M310-L314 VanDerWaalsContact O-CD1 3.23Å; M310-L314 WeakPolarHBondContact O-CD1 3.23Å; M310-L314 PolarHBondContact O-N 3.11Å |
| 311 | K | 54.8 | Low | 50.4 | Low | 171 Ų | 171 | 131.7 Ų | 131.7 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -77.6 | -28 | 179.6 | -71.3 | -167.8 | 176.2 | -172.6 | 0 | 113.9 | E309 | E309-K311 VanDerWaalsContact C-N 3.29Å; E309-K311 PolarHBondContact O-N 3.3Å |
| 312 | R | 54.6 | Low | 49.6 | Very low | 185 Ų | 185 | 128.4 Ų | 128.4 | 70% | 0.698 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -76.3 | -31.6 | 173.4 | -80.4 | -175.7 | 174.3 | 135.9 | -1.4 | 112.8 | E309 L314 S315 | E309-R312 PolarHBondContact O-N 3.42Å; R312-L314 VanDerWaalsContact C-N 3.31Å; R312-L314 PolarHBondContact O-N 3.34Å; R312-S315 PolarHBondContact O-OG 3.16Å; R312-S315 VanDerWaalsContact O-OG 3.06Å |
| 313 | K | 52.2 | Low | 49.5 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -77 | -13.8 | 176.8 | -66.6 | -160.3 | 177.1 | -161.8 | 0 | 114.4 | E309 | E309-K313 PolarHBondContact O-N 3.5Å |
| 314 | L | 51.4 | Low | 49.4 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -92.6 | -18.8 | 172.7 | -94.9 | 91.8 | 0 | 0 | 0 | 113.8 | M310 R312 | M310-L314 VanDerWaalsContact O-CD1 3.23Å; M310-L314 WeakPolarHBondContact O-CD1 3.23Å; M310-L314 PolarHBondContact O-N 3.11Å; R312-L314 VanDerWaalsContact C-N 3.31Å; R312-L314 PolarHBondContact O-N 3.34Å |
| 315 | S | 52.8 | Low | 49.3 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 45% | 0.448 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -83.3 | -30.9 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | R312 S318 | R312-S315 PolarHBondContact O-OG 3.16Å; R312-S315 VanDerWaalsContact O-OG 3.06Å; S315-S318 PolarHBondContact O-OG 3.03Å |
| 316 | D | 53.5 | Low | 48.9 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -87 | -10.8 | -169.6 | -66.9 | -3.7 | 0 | 0 | 0 | 113.7 | S318 | D316-S318 VanDerWaalsContact C-N 3.28Å; D316-S318 PolarHBondContact O-N 3.33Å |
| 317 | D | 51.4 | Low | 48.8 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -87.6 | 9.5 | -179.5 | -120.7 | -4.9 | 0 | 0 | 0 | 113.6 | ||
| 318 | S | 50.5 | Low | 48.2 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -104.6 | 2.1 | -174 | 60.9 | 0 | 0 | 0 | 0 | 115 | S315 D316 | S315-S318 PolarHBondContact O-OG 3.03Å; D316-S318 VanDerWaalsContact C-N 3.28Å; D316-S318 PolarHBondContact O-N 3.33Å |
| 319 | N | 44.8 | Very low | 47.7 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -149 | 68.1 | -170.8 | -156.1 | 16 | 0 | 0 | 0 | 113.9 | ||||
| 320 | Q | 46 | Very low | 47.3 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 94% | 0.939 | 75% | 0.749 | S | S | * | * | trans | -178.9 | 103 | 154.3 | -102.4 | 167.6 | 77.1 | 0 | 0 | 106.9 | ||||
| 321 | G | 36.2 | Very low | 47.2 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | cis | 102 | 56.9 | 36 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 322 | V | 36 | Very low | 46.9 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | 33.5 | 96.3 | 145.2 | -168.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 323 | K | 47.5 | Very low | 46.7 | Very low | 205 Ų | 205 | 130 Ų | 130 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | trans | -146.6 | 121.7 | 149 | -67.6 | -167.3 | 179.8 | 171.4 | 0 | 111.9 | ||||
| 324 | S | 43.2 | Very low | 46.5 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -51.7 | 164.5 | 164.2 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 325 | N | 44.6 | Very low | 46.7 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -169 | 144 | 39.4 | -135.5 | 4.9 | 0 | 0 | 0 | 110.3 | ||||
| 326 | L | 38.5 | Very low | 46.4 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | trans | 13.6 | 121.9 | 141.8 | -79.8 | 107.9 | 0 | 0 | 0 | 120.6 | ||||
| 327 | N | 45.7 | Very low | 46.4 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | 161.5 | 140.4 | 108.5 | -84.8 | -25.3 | 0 | 0 | 0 | 113.8 | |||||
| 328 | G | 43.6 | Very low | 46.2 | Very low | 62 Ų | 62 | 138.8 Ų | 138.8 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | trans | 108.6 | 70.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 329 | T | 48.2 | Very low | 45.9 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | 52.4 | 112.3 | 103.3 | 58.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 330 | G | 45 | Very low | 46 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | 113.1 | 120.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 331 | G | 50.5 | Low | 46 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 142.4 | 64.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 332 | V | 48.4 | Very low | 46.6 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -76.4 | 129.3 | 163.7 | -172.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 333 | F | 51.1 | Low | 47.3 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | -146.2 | 101.3 | 157.5 | -128.6 | -89.3 | 0 | 0 | 0 | 111 | K335 | F333-K335 HydrophobicContact CD1-CD 4.22Å; F333-K335 HydrophobicContact CD1-CG 4.16Å; F333-K335 HydrophobicContact CE1-CD 3.7Å; F333-K335 HydrophobicContact CE1-CG 3.88Å | ||
| 334 | A | 46.6 | Very low | 47.3 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -83.1 | 142.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 335 | K | 57.3 | Low | 47.6 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -146.2 | 115.1 | 157.2 | -100.4 | 179.9 | 172.4 | 164 | 0 | 109.5 | F333 | F333-K335 HydrophobicContact CD1-CD 4.22Å; F333-K335 HydrophobicContact CD1-CG 4.16Å; F333-K335 HydrophobicContact CE1-CD 3.7Å; F333-K335 HydrophobicContact CE1-CG 3.88Å | ||
| 336 | S | 46.2 | Very low | 47.9 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | -71.3 | 148.6 | 161.2 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 337 | W | 53.4 | Low | 48.7 | Very low | 327 Ų | 327 | 140.3 Ų | 140.3 | 100% | 1.239 | 83% | 0.834 | S | S | * | * | trans | -136 | 0 | 136.2 | -99.2 | 80.9 | 0 | 0 | 0 | 107.6 |
Retrieved 337 of 337 residues in 92.3 ms
(Link to these results)